smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1ccc(C(=O)[C@H](C)C[NH+]2CCCC2)cc1 ZINC000000000387 368473391 /nfs/dbraw/zinc/47/33/91/368473391.db2.gz VNFAARJCGSAROU-CYBMUJFWSA-N 1 0 245.366 3.164 10 0 in-man BGAERO COc1ccc(Cl)c2c1CCC[C@@H]2[NH+](C)C ZINC000000000426 175118754 /nfs/dbraw/zinc/11/87/54/175118754.db2.gz MTWNWMGGMZUIMZ-NSHDSACASA-N 1 0 239.746 3.288 10 0 in-man BGAERO CCC[C@@]1(c2cccc(O)c2)CC[N@H+](C)C[C@H]1C ZINC000000001941 386127617 /nfs/dbraw/zinc/12/76/17/386127617.db2.gz RTOHPIRUUAKHOZ-CZUORRHYSA-N 1 0 247.382 3.402 10 0 BGAERO c1ccc2cc(COC3CC[NH2+]CC3)ccc2c1 ZINC000000003647 383817926 /nfs/dbraw/zinc/81/79/26/383817926.db2.gz MJJDYOLPMGIWND-UHFFFAOYSA-N 1 0 241.334 3.108 10 0 in-man BGAERO C[NH2+][C@@]12CCCC[C@H]1Sc1ccccc12 ZINC000000004278 173441268 /nfs/dbraw/zinc/44/12/68/173441268.db2.gz UJAGPRIPNDJMED-CHWSQXEVSA-N 1 0 219.353 3.150 10 0 BGAERO Nc1c2c([nH+]c3cccc(F)c13)C1CC(C1)C2 ZINC000000004438 181672447 /nfs/dbraw/zinc/67/24/47/181672447.db2.gz MPXYSKOIXYKJDL-UHFFFAOYSA-N 1 0 228.270 3.006 10 0 BGAERO C[N@@H+]1CCc2c(Cl)ccc3c2[C@@H](CCC3)C1 ZINC000000004783 173166737 /nfs/dbraw/zinc/16/67/37/173166737.db2.gz KELNXILYABMXFF-NSHDSACASA-N 1 0 235.758 3.248 10 0 in-vitro BGAERO Nc1c2ccc(Cl)cc2[nH+]c2c1CCCC2 ZINC000000005689 368474572 /nfs/dbraw/zinc/47/45/72/368474572.db2.gz GQZMDBQRGRRPMS-UHFFFAOYSA-N 1 0 232.714 3.349 10 0 in-vivo BGAERO Clc1ccc(C2=CCC[C@@H]3CC[C@H]2[NH2+]3)cn1 ZINC000000007013 342669739 /nfs/dbraw/zinc/66/97/39/342669739.db2.gz TVSNVPGPFGAKPT-ZYHUDNBSSA-N 1 0 234.730 3.033 10 0 in-vitro BGAERO C[NH2+][C@H](Cc1ccccc1N)c1sccc1C ZINC000000008413 398277184 /nfs/dbraw/zinc/27/71/84/398277184.db2.gz NYBKYOYUKBCNAB-CYBMUJFWSA-N 1 0 246.379 3.142 10 0 BGAERO [NH3+]Cc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1 ZINC000000008800 342669683 /nfs/dbraw/zinc/66/96/83/342669683.db2.gz GLUAAVLIPJCQET-UHFFFAOYSA-N 1 0 249.317 3.202 10 0 BGAERO CCC[N@@H+]1CCC[C@@H]2c3c(O)cccc3CC[C@H]21 ZINC000000009463 169198458 /nfs/dbraw/zinc/19/84/58/169198458.db2.gz PXQVPBZSEWLGIX-UONOGXRCSA-N 1 0 245.366 3.296 10 0 BGAERO CCC[N@@H+]1CC[C@H]2c3cccc(OC)c3CC[C@H]21 ZINC000000013944 169208700 /nfs/dbraw/zinc/20/87/00/169208700.db2.gz VUKJBNUKLLGULS-DZGCQCFKSA-N 1 0 245.366 3.209 10 0 BGAERO CC[NH2+][C@H](Cc1ccccn1)c1sccc1C ZINC000000015857 170162931 /nfs/dbraw/zinc/16/29/31/170162931.db2.gz WGISVPGICROIOD-CYBMUJFWSA-N 1 0 246.379 3.345 10 0 BGAERO Nc1c2c([nH+]c3ccccc31)-c1ccccc1C2 ZINC000000022438 368477925 /nfs/dbraw/zinc/47/79/25/368477925.db2.gz CMZUAEAPKGOQSL-UHFFFAOYSA-N 1 0 232.286 3.388 10 0 BGAERO [NH2+]=C1Nc2ccccc2[C@H]2CCCCC[C@@H]12 ZINC000000024093 181340554 /nfs/dbraw/zinc/34/05/54/181340554.db2.gz OUOBLOUCARQNLR-ZYHUDNBSSA-N 1 0 214.312 3.353 10 0 BGAERO CC(C)[NH2+][C@@H](C)[C@H](O)c1ccc2ccccc2c1 ZINC000000217383 167131624 /nfs/dbraw/zinc/13/16/24/167131624.db2.gz ASFSOTLFLHESGR-LRDDRELGSA-N 1 0 243.350 3.260 10 0 BGAERO CC(C)[NH2+][C@H](C)[C@H](O)c1ccc2ccccc2c1 ZINC000000217387 167138561 /nfs/dbraw/zinc/13/85/61/167138561.db2.gz ASFSOTLFLHESGR-WBMJQRKESA-N 1 0 243.350 3.260 10 0 BGAERO CC(C)[NH2+][C@@H](C)[C@@H](O)c1ccc2ccccc2c1 ZINC000000217389 167131758 /nfs/dbraw/zinc/13/17/58/167131758.db2.gz ASFSOTLFLHESGR-BLLLJJGKSA-N 1 0 243.350 3.260 10 0 BGAERO CC(C)[NH2+][C@H](C)[C@@H](O)c1ccc2ccccc2c1 ZINC000000217392 167138544 /nfs/dbraw/zinc/13/85/44/167138544.db2.gz ASFSOTLFLHESGR-MLGOLLRUSA-N 1 0 243.350 3.260 10 0 BGAERO COc1ccc([C@@H]([NH3+])CCc2ccc(C)o2)cc1 ZINC000000266651 175179895 /nfs/dbraw/zinc/17/98/95/175179895.db2.gz UIOOQYQXPOEIQJ-HNNXBMFYSA-N 1 0 245.322 3.229 10 0 aggregator BGAERO COc1ccc([C@H]([NH3+])CCc2ccc(C)o2)cc1 ZINC000000266655 175192090 /nfs/dbraw/zinc/19/20/90/175192090.db2.gz UIOOQYQXPOEIQJ-OAHLLOKOSA-N 1 0 245.322 3.229 10 0 aggregator BGAERO Cc1cccc2c(N)c3c([nH+]c12)CCCCC3 ZINC000000276633 179211102 /nfs/dbraw/zinc/21/11/02/179211102.db2.gz MEECPPYNNCTQCU-UHFFFAOYSA-N 1 0 226.323 3.394 10 0 BGAERO [NH3+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000000335647 181357964 /nfs/dbraw/zinc/35/79/64/181357964.db2.gz NPESQVSQYZEASZ-UHFFFAOYSA-N 1 0 233.261 3.055 10 0 BGAERO C[C@@H](Cc1ccccc1)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000000346329 175773784 /nfs/dbraw/zinc/77/37/84/175773784.db2.gz FVYMHHLQKVWPAY-ZFWWWQNUSA-N 1 0 247.382 3.165 10 0 BGAERO C[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000000346335 175773681 /nfs/dbraw/zinc/77/36/81/175773681.db2.gz FVYMHHLQKVWPAY-DZGCQCFKSA-N 1 0 247.382 3.165 10 0 BGAERO C[NH2+]Cc1ccccc1Sc1cccc(O)c1 ZINC000000346506 173390801 /nfs/dbraw/zinc/39/08/01/173390801.db2.gz MVUYJOIQCXKOSI-UHFFFAOYSA-N 1 0 245.347 3.263 10 0 BGAERO CC(C)(C)[n+]1cc(-c2ccccc2)n2c1CCC2 ZINC000000539848 385475925 /nfs/dbraw/zinc/47/59/25/385475925.db2.gz HWFNZSGUXHNIEE-UHFFFAOYSA-N 1 0 241.358 3.144 10 0 BGAERO C[C@]12CCCCC[C@H](Cc3ccc(O)cc31)[C@@H]2[NH3+] ZINC000000897355 383883973 /nfs/dbraw/zinc/88/39/73/383883973.db2.gz VTMVHDZWSFQSQP-KCXAZCMYSA-N 1 0 245.366 3.114 10 0 BGAERO CC[NH+](CC)CCNc1ccc(C)c(Cl)c1 ZINC000000967930 560180196 /nfs/dbraw/zinc/18/01/96/560180196.db2.gz PYCSFZRHAYWHQB-UHFFFAOYSA-N 1 0 240.778 3.402 10 0 in-vitro BGAERO Cc1ccc2c(n1)[C@H](C(C)(C)O)CC[C@@H]2C ZINC000001090540 560180365 /nfs/dbraw/zinc/18/03/65/560180365.db2.gz ZKWQRKACMGTYMH-JOYOIKCWSA-N 1 0 219.328 3.142 10 0 in-vitro BGAERO C[NH2+]CC12CCC(c3ccccc31)c1ccccc12 ZINC000001481983 173338702 /nfs/dbraw/zinc/33/87/02/173338702.db2.gz GNRXCIONJWKSEA-UHFFFAOYSA-N 1 0 249.357 3.431 10 0 world BGAERO CC[NH2+][C@@]12CCCC[C@@H]1Cc1ccccc12 ZINC000001482845 170156339 /nfs/dbraw/zinc/15/63/39/170156339.db2.gz QWPKWRYYGDVPFN-HIFRSBDPSA-N 1 0 215.340 3.238 10 0 BGAERO CC1(C)C[C@@H]([NH2+]Cc2ccccc2)c2cccn21 ZINC000001496213 167979094 /nfs/dbraw/zinc/97/90/94/167979094.db2.gz NSXBGMFSQWNAFC-CQSZACIVSA-N 1 0 240.350 3.458 10 0 BGAERO Cc1cc(-n2cccc2)c2ccccc2[nH+]1 ZINC000001519975 342702560 /nfs/dbraw/zinc/70/25/60/342702560.db2.gz BQXIWMUQYBNRHQ-UHFFFAOYSA-N 1 0 208.264 3.334 10 0 BGAERO CCC[C@@](C)([NH3+])Cc1ccc(Cl)cc1 ZINC000001606979 169451769 /nfs/dbraw/zinc/45/17/69/169451769.db2.gz OVRJXHIJIPEHEO-GFCCVEGCSA-N 1 0 211.736 3.400 10 0 BGAERO CCC([NH3+])(CC)Cc1ccc(Cl)cc1 ZINC000001606991 168417822 /nfs/dbraw/zinc/41/78/22/168417822.db2.gz PRZCBVIYFRTOHH-UHFFFAOYSA-N 1 0 211.736 3.400 10 0 BGAERO CN(C(=[NH2+])c1ccccc1)c1ccccc1 ZINC000001617799 172292089 /nfs/dbraw/zinc/29/20/89/172292089.db2.gz BKJFKLRVGOPJDG-UHFFFAOYSA-N 1 0 210.280 3.148 10 0 BGAERO Cc1cc(CC[NH3+])c(C)c2c3ccccc3[nH]c21 ZINC000001621615 342706227 /nfs/dbraw/zinc/70/62/27/342706227.db2.gz IMRARBYYCPLYID-UHFFFAOYSA-N 1 0 238.334 3.439 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000001649100 173426062 /nfs/dbraw/zinc/42/60/62/173426062.db2.gz PRZWCODRDMVPBA-HNNXBMFYSA-N 1 0 217.356 3.397 10 0 BGAERO c1ccc([C@H]2OCC[NH2+][C@H]2c2ccccc2)cc1 ZINC000001672008 383920889 /nfs/dbraw/zinc/92/08/89/383920889.db2.gz UCAZULSLAAOLFX-JKSUJKDBSA-N 1 0 239.318 3.089 10 0 BGAERO c1ccc([C@H]2[NH2+]CCO[C@@H]2c2ccccc2)cc1 ZINC000001672009 383920653 /nfs/dbraw/zinc/92/06/53/383920653.db2.gz UCAZULSLAAOLFX-HZPDHXFCSA-N 1 0 239.318 3.089 10 0 BGAERO c1ccc([C@@H]2[NH2+]CCO[C@H]2c2ccccc2)cc1 ZINC000001672010 518203929 /nfs/dbraw/zinc/20/39/29/518203929.db2.gz UCAZULSLAAOLFX-HOTGVXAUSA-N 1 0 239.318 3.089 10 0 BGAERO c1ccc([C@H]2[NH2+]CCO[C@H]2c2ccccc2)cc1 ZINC000001672011 383920839 /nfs/dbraw/zinc/92/08/39/383920839.db2.gz UCAZULSLAAOLFX-CVEARBPZSA-N 1 0 239.318 3.089 10 0 BGAERO [NH3+]C[C@H](c1cccs1)C1CCCCC1 ZINC000001679370 181454731 /nfs/dbraw/zinc/45/47/31/181454731.db2.gz SCFFSBMUFRXHEG-NSHDSACASA-N 1 0 209.358 3.371 10 0 BGAERO CC[NH2+][C@@H]1[C@@H](c2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000001693019 356623202 /nfs/dbraw/zinc/62/32/02/356623202.db2.gz IKFBPFGUINLYQI-QPSCCSFWSA-N 1 0 215.340 3.178 10 0 BGAERO Clc1ccc(C[n+]2ccccc2)c(Cl)c1 ZINC000001693822 342709719 /nfs/dbraw/zinc/70/97/19/342709719.db2.gz OUZGNIGCGXJOIT-UHFFFAOYSA-N 1 0 239.125 3.329 10 0 BGAERO CCCOc1ccc(C[NH3+])c2ccccc12 ZINC000001852653 169318680 /nfs/dbraw/zinc/31/86/80/169318680.db2.gz LVRISNAXBXTAST-UHFFFAOYSA-N 1 0 215.296 3.087 10 0 BGAERO CC(C)Oc1ccc(C[NH3+])c2ccccc12 ZINC000001852659 167291448 /nfs/dbraw/zinc/29/14/48/167291448.db2.gz HNJQUQJPAIGREO-UHFFFAOYSA-N 1 0 215.296 3.086 10 0 BGAERO C[NH+](C)CCCCCc1c[nH]c2ccccc12 ZINC000001995746 383944352 /nfs/dbraw/zinc/94/43/52/383944352.db2.gz NIISJVBHWVLHNY-UHFFFAOYSA-N 1 0 230.355 3.442 10 0 BGAERO CC[NH2+][C@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000001998983 170166847 /nfs/dbraw/zinc/16/68/47/170166847.db2.gz NDAOYSUPSUEMIO-NSHDSACASA-N 1 0 239.746 3.336 10 0 BGAERO CC[NH2+][C@@H]1CCCc2c(OC)ccc(Cl)c21 ZINC000001998984 170151403 /nfs/dbraw/zinc/15/14/03/170151403.db2.gz NDAOYSUPSUEMIO-LLVKDONJSA-N 1 0 239.746 3.336 10 0 BGAERO CC(C)NC(=[NH2+])Nc1ccc(Cl)c(Cl)c1 ZINC000002002197 167035759 /nfs/dbraw/zinc/03/57/59/167035759.db2.gz NOLBMHUJUOIAFK-UHFFFAOYSA-N 1 0 246.141 3.338 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+]C(C)C)CCCO2 ZINC000002002513 178954324 /nfs/dbraw/zinc/95/43/24/178954324.db2.gz OYTDFHCTUJIGKR-CYBMUJFWSA-N 1 0 219.328 3.207 10 0 BGAERO [NH3+]CC=C(c1ccccc1)c1ccccc1 ZINC000002002772 181364770 /nfs/dbraw/zinc/36/47/70/181364770.db2.gz AXEZWCUFXPGSSA-UHFFFAOYSA-N 1 0 209.292 3.077 10 0 BGAERO C[NH2+]CCc1c[nH]c2ccc(C(C)(C)C)cc12 ZINC000002005821 173359489 /nfs/dbraw/zinc/35/94/89/173359489.db2.gz BEPGJIBRVXQULF-UHFFFAOYSA-N 1 0 230.355 3.227 10 0 BGAERO C[NH2+][C@H](C)Cc1ccc2c(c1)CCCCC2 ZINC000002006702 173446913 /nfs/dbraw/zinc/44/69/13/173446913.db2.gz ZBZGWBSRILWBHK-GFCCVEGCSA-N 1 0 217.356 3.106 10 0 BGAERO COc1ccc2scc(CC[NH+](C)C)c2c1 ZINC000002006722 175232275 /nfs/dbraw/zinc/23/22/75/175232275.db2.gz IZHVFYGQUDZDBH-UHFFFAOYSA-N 1 0 235.352 3.014 10 0 BGAERO COc1ccc(Cl)c2c1CCC[C@H]2[NH+](C)C ZINC000002009618 175118742 /nfs/dbraw/zinc/11/87/42/175118742.db2.gz MTWNWMGGMZUIMZ-LLVKDONJSA-N 1 0 239.746 3.288 10 0 in-man BGAERO CCCC[N@@H+]1CC[C@H]2c3ccccc3C[C@@H]2C1 ZINC000002014340 383943732 /nfs/dbraw/zinc/94/37/32/383943732.db2.gz FLQWELWUFIHCPK-GDBMZVCRSA-N 1 0 229.367 3.448 10 0 BGAERO C[N@@H+]1CCc2c(cccc2-c2ccccc2)C1 ZINC000002014648 173169970 /nfs/dbraw/zinc/16/99/70/173169970.db2.gz GRTWSHLGXBMSFT-UHFFFAOYSA-N 1 0 223.319 3.342 10 0 BGAERO CCc1ccc(C(=O)[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000002016043 171788195 /nfs/dbraw/zinc/78/81/95/171788195.db2.gz VNFAARJCGSAROU-ZDUSSCGKSA-N 1 0 245.366 3.164 10 0 in-man BGAERO C[C@@H]1C[C@H](c2c[nH]c3ccccc23)[N@H+](C)C1 ZINC000002016858 383943158 /nfs/dbraw/zinc/94/31/58/383943158.db2.gz CPVLDFVZMUZGDD-QMTHXVAHSA-N 1 0 214.312 3.181 10 0 BGAERO C[C@H]1C[C@@H](c2c[nH]c3ccccc23)[N@H+](C)C1 ZINC000002016859 177338652 /nfs/dbraw/zinc/33/86/52/177338652.db2.gz CPVLDFVZMUZGDD-HZMBPMFUSA-N 1 0 214.312 3.181 10 0 BGAERO [NH3+]CCCn1c2ccccc2c2c1CCCCC2 ZINC000002017469 368735648 /nfs/dbraw/zinc/73/56/48/368735648.db2.gz CJHAKCNBUQSXKV-UHFFFAOYSA-N 1 0 242.366 3.259 10 0 BGAERO CC[NH2+]CC1(c2ccccc2)CCCCC1 ZINC000002018451 170110588 /nfs/dbraw/zinc/11/05/88/170110588.db2.gz GZNVXVIQXPQWGM-UHFFFAOYSA-N 1 0 217.356 3.498 10 0 BGAERO C[NH2+][C@@H]1Cc2ccccc2N(C)c2ccccc21 ZINC000002019958 383943230 /nfs/dbraw/zinc/94/32/30/383943230.db2.gz YXVZOBVWVRFPTE-CQSZACIVSA-N 1 0 238.334 3.271 10 0 in-man BGAERO C[NH2+]C[C@H]1C2CCC(CC2)[C@H]1c1ccccc1 ZINC000002032430 173377817 /nfs/dbraw/zinc/37/78/17/173377817.db2.gz UJWZWFZELVZHTK-DISOXQEGSA-N 1 0 229.367 3.426 10 0 BGAERO Nc1c2cc(Cl)ccc2[nH+]c2c1CCCC2 ZINC000002034186 181671792 /nfs/dbraw/zinc/67/17/92/181671792.db2.gz PUKKYURTEBJMKJ-UHFFFAOYSA-N 1 0 232.714 3.349 10 0 in-vivo BGAERO CCCCC1(c2cccc(OC)c2)C[NH+](C)C1 ZINC000002035694 368741524 /nfs/dbraw/zinc/74/15/24/368741524.db2.gz CPEOTVWFSNUGSR-UHFFFAOYSA-N 1 0 233.355 3.069 10 0 BGAERO CC[NH+](CC)CCc1c[nH]c2cc(F)ccc12 ZINC000002036052 368741121 /nfs/dbraw/zinc/74/11/21/368741121.db2.gz RPWUTEXLVPDNEA-UHFFFAOYSA-N 1 0 234.318 3.191 10 0 BGAERO [NH3+]CCN1c2ccccc2C=Cc2ccccc21 ZINC000002038931 368741197 /nfs/dbraw/zinc/74/11/97/368741197.db2.gz AXMAXNUHWORZAK-UHFFFAOYSA-N 1 0 236.318 3.267 10 0 BGAERO C[N@@H+]1CCC[C@H]1c1c[nH]c2ccc(F)cc21 ZINC000002039227 368741751 /nfs/dbraw/zinc/74/17/51/368741751.db2.gz OBIXHSPVWCWIOW-ZDUSSCGKSA-N 1 0 218.275 3.074 10 0 BGAERO C[N@@H+]1CCC[C@@H]1c1c[nH]c2ccc(F)cc21 ZINC000002039229 368741722 /nfs/dbraw/zinc/74/17/22/368741722.db2.gz OBIXHSPVWCWIOW-CYBMUJFWSA-N 1 0 218.275 3.074 10 0 BGAERO CC[NH+](CC)CCc1cc(-c2ccccc2)no1 ZINC000002040089 368742886 /nfs/dbraw/zinc/74/28/86/368742886.db2.gz RLNDNSDACULHTE-UHFFFAOYSA-N 1 0 244.338 3.226 10 0 BGAERO CC[NH+](CC)CCc1cc(-c2ccccc2)on1 ZINC000002040207 350079808 /nfs/dbraw/zinc/07/98/08/350079808.db2.gz FXWABYHVQXKERR-UHFFFAOYSA-N 1 0 244.338 3.226 10 0 BGAERO CC(C)([NH3+])Cc1c[nH]c2ccc(Cl)cc12 ZINC000002040658 342715124 /nfs/dbraw/zinc/71/51/24/342715124.db2.gz QRNZKEMEJDHWLR-UHFFFAOYSA-N 1 0 222.719 3.101 10 0 BGAERO C[C@H]1Cc2cc([C@H]([NH3+])c3ccccc3)ccc2O1 ZINC000002128823 177388651 /nfs/dbraw/zinc/38/86/51/177388651.db2.gz KWRSRRJRFYAUAK-MEDUHNTESA-N 1 0 239.318 3.058 10 0 BGAERO C[C@H]1Cc2cc([C@@H]([NH3+])c3ccccc3)ccc2O1 ZINC000002128825 177388828 /nfs/dbraw/zinc/38/88/28/177388828.db2.gz KWRSRRJRFYAUAK-ZBEGNZNMSA-N 1 0 239.318 3.058 10 0 BGAERO C[C@@H]1Cc2cc([C@@H]([NH3+])c3ccccc3)ccc2O1 ZINC000002128826 176450949 /nfs/dbraw/zinc/45/09/49/176450949.db2.gz KWRSRRJRFYAUAK-BZNIZROVSA-N 1 0 239.318 3.058 10 0 BGAERO C[N@@H+]1CCc2cccc3c2[C@H]1Cc1ccccc1-3 ZINC000002386800 173171702 /nfs/dbraw/zinc/17/17/02/173171702.db2.gz BZKUYNBAFQJRDM-MRXNPFEDSA-N 1 0 235.330 3.439 10 0 in-vitro BGAERO O[C@@H]1CCCCCC[C@@H]1C[NH2+]Cc1ccccc1 ZINC000002387056 183187145 /nfs/dbraw/zinc/18/71/45/183187145.db2.gz SZZGTRGCWTUUGR-HZPDHXFCSA-N 1 0 247.382 3.108 10 0 BGAERO Cc1ccc([C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000002391828 388680575 /nfs/dbraw/zinc/68/05/75/388680575.db2.gz OMRKUZDQUXNJDA-INIZCTEOSA-N 1 0 223.319 3.230 10 0 BGAERO Clc1ccc(C2=CCC[C@H]3CC[C@@H]2[NH2+]3)cn1 ZINC000002507596 383966532 /nfs/dbraw/zinc/96/65/32/383966532.db2.gz TVSNVPGPFGAKPT-JQWIXIFHSA-N 1 0 234.730 3.033 10 0 in-vitro BGAERO COC(=O)CCCCCCCCCCC[NH3+] ZINC000002510855 173530804 /nfs/dbraw/zinc/53/08/04/173530804.db2.gz NDBSIOZEOQUDBF-UHFFFAOYSA-N 1 0 229.364 3.019 10 0 in-vitro BGAERO C[NH2+][C@H](C)Cc1csc2ccccc12 ZINC000002534115 383970770 /nfs/dbraw/zinc/97/07/70/383970770.db2.gz JRELNPJJPDZIOV-SECBINFHSA-N 1 0 205.326 3.052 10 0 BGAERO CC[NH+](CC)CCc1c[nH]c2cccc(OC)c12 ZINC000002539053 342723419 /nfs/dbraw/zinc/72/34/19/342723419.db2.gz HIVMOHVUFLVCMM-UHFFFAOYSA-N 1 0 246.354 3.061 10 0 BGAERO CC(C)C[C@H]1[NH2+]CC[C@@H]1Cc1ccccc1 ZINC000002545002 188274825 /nfs/dbraw/zinc/27/48/25/188274825.db2.gz WRETYGHQPRNRBN-HUUCEWRRSA-N 1 0 217.356 3.253 10 0 BGAERO c1ccc2c(c1)CCc1c[n+]3ccccc3cc1-2 ZINC000002556132 388848143 /nfs/dbraw/zinc/84/81/43/388848143.db2.gz OFOVVBIZZDKRGX-UHFFFAOYSA-N 1 0 232.306 3.191 10 0 BGAERO C[N@@H+]1CCC[C@@H]1CNc1cccc2ccccc21 ZINC000002556883 173033364 /nfs/dbraw/zinc/03/33/64/173033364.db2.gz XNUJQYGTHGYURE-CQSZACIVSA-N 1 0 240.350 3.346 10 0 BGAERO CCOP(OCC)[NH+](C(C)C)C(C)C ZINC000002565604 383976971 /nfs/dbraw/zinc/97/69/71/383976971.db2.gz UUFIBXKHKNIZHL-UHFFFAOYSA-N 1 0 221.281 3.405 10 0 in-vitro BGAERO COc1ccc(Oc2cccc(F)c2C[NH3+])cc1 ZINC000002574909 175173513 /nfs/dbraw/zinc/17/35/13/175173513.db2.gz RMFFAIVQBHBAQI-UHFFFAOYSA-N 1 0 247.269 3.085 10 0 BGAERO C[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000002576563 173389140 /nfs/dbraw/zinc/38/91/40/173389140.db2.gz LLMBEKWBEPHCEH-UHFFFAOYSA-N 1 0 231.270 3.337 10 0 BGAERO C[NH2+]Cc1ccccc1-c1ccc(F)cc1 ZINC000002576573 371599307 /nfs/dbraw/zinc/59/93/07/371599307.db2.gz XVEVIQHIQKGZGR-UHFFFAOYSA-N 1 0 215.271 3.212 10 0 BGAERO C[NH2+]Cc1cccc(-c2ccc(OC)cc2)c1 ZINC000002576574 371599645 /nfs/dbraw/zinc/59/96/45/371599645.db2.gz XEWJTRJYNYFJBW-UHFFFAOYSA-N 1 0 227.307 3.082 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(C)cc2)cc1 ZINC000002576580 173388027 /nfs/dbraw/zinc/38/80/27/173388027.db2.gz AMVWECRLUFCXRD-UHFFFAOYSA-N 1 0 211.308 3.381 10 0 BGAERO C[NH2+]C[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000002576608 173378143 /nfs/dbraw/zinc/37/81/43/173378143.db2.gz SEUOQCDSQPWYOA-OAHLLOKOSA-N 1 0 229.298 3.177 10 0 BGAERO c1c2ccccc2oc1[C@@H]1CCCC[NH2+]1 ZINC000002577419 383979102 /nfs/dbraw/zinc/97/91/02/383979102.db2.gz XIELQQIWNMCNQR-NSHDSACASA-N 1 0 201.269 3.247 10 0 BGAERO [NH3+]CCCCCCOc1ccccc1Cl ZINC000002583881 181375235 /nfs/dbraw/zinc/37/52/35/181375235.db2.gz HBOAKGDYPHCZCD-UHFFFAOYSA-N 1 0 227.735 3.238 10 0 BGAERO [NH3+]CCCCCCOc1ccc(Cl)cc1 ZINC000002583913 181375268 /nfs/dbraw/zinc/37/52/68/181375268.db2.gz LTUFMALBFAADRT-UHFFFAOYSA-N 1 0 227.735 3.238 10 0 BGAERO Cc1ccccc1C[n+]1cccc2ccccc21 ZINC000003159326 179293254 /nfs/dbraw/zinc/29/32/54/179293254.db2.gz HKBLZFLWJSPNRU-UHFFFAOYSA-N 1 0 234.322 3.484 10 0 BGAERO [NH3+]C12C[C@@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 ZINC000003184544 181336821 /nfs/dbraw/zinc/33/68/21/181336821.db2.gz MWXAHLMUYMJXTG-YPXDRJKUSA-N 1 0 227.351 3.236 10 0 BGAERO C[NH+]1Cc2ccccc2Cc2ccccc2C1 ZINC000003203425 342731639 /nfs/dbraw/zinc/73/16/39/342731639.db2.gz SPEAELWLROZKAS-UHFFFAOYSA-N 1 0 223.319 3.223 10 0 BGAERO C[C@H]1CCCC[C@H]1NC1=[NH+]C(C)(C)CS1 ZINC000003259394 177088780 /nfs/dbraw/zinc/08/87/80/177088780.db2.gz MTTASESOWMUBMJ-VHSXEESVSA-N 1 0 226.389 3.036 10 0 BGAERO C[C@H]1CCCC[C@@H]1NC1=[NH+]C(C)(C)CS1 ZINC000003259397 177083027 /nfs/dbraw/zinc/08/30/27/177083027.db2.gz MTTASESOWMUBMJ-UWVGGRQHSA-N 1 0 226.389 3.036 10 0 BGAERO Cc1cc(C(C)(C)C)cc(C)c1CC[NH3+] ZINC000003454320 384012831 /nfs/dbraw/zinc/01/28/31/384012831.db2.gz LTMDLAXVPFVGPB-UHFFFAOYSA-N 1 0 205.345 3.102 10 0 BGAERO CC[C@H](C)C[C@]1(c2cccc(O)c2)CC[N@H+](C)C1 ZINC000003602432 171299677 /nfs/dbraw/zinc/29/96/77/171299677.db2.gz IEMYFOOOVZNVLE-XJKSGUPXSA-N 1 0 247.382 3.402 10 0 BGAERO CC(C)CC[C@]1(c2cccc(O)c2)CC[N@H+](C)C1 ZINC000003602435 166914510 /nfs/dbraw/zinc/91/45/10/166914510.db2.gz NBYLDDKRYIOEHF-INIZCTEOSA-N 1 0 247.382 3.402 10 0 BGAERO CC(C)C[C@@]1(c2cccc(O)c2)CC[N@H+](C)C1 ZINC000003602442 188096789 /nfs/dbraw/zinc/09/67/89/188096789.db2.gz LOZPKIOFRLDEQS-HNNXBMFYSA-N 1 0 233.355 3.012 10 0 BGAERO CC(C)C[C@]1(c2cccc(O)c2)CC[N@H+](C)C1 ZINC000003602443 187242391 /nfs/dbraw/zinc/24/23/91/187242391.db2.gz LOZPKIOFRLDEQS-OAHLLOKOSA-N 1 0 233.355 3.012 10 0 BGAERO C[C@@H](C[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000003602526 132308643 /nfs/dbraw/zinc/30/86/43/132308643.db2.gz AHWWMSLYBNNVNV-AWEZNQCLSA-N 1 0 246.398 3.342 10 0 BGAERO C[C@H](C[NH+](C)C)c1ccc(N2CCCCC2)cc1 ZINC000003602528 132308732 /nfs/dbraw/zinc/30/87/32/132308732.db2.gz AHWWMSLYBNNVNV-CQSZACIVSA-N 1 0 246.398 3.342 10 0 BGAERO [NH3+]CCc1cc2cc(Cl)ccc2s1 ZINC000003615090 384020984 /nfs/dbraw/zinc/02/09/84/384020984.db2.gz XTOUTRPYYCKSGF-UHFFFAOYSA-N 1 0 211.717 3.056 10 0 BGAERO C[C@H]1Cc2ccccc2N1c1cc[nH+]cc1 ZINC000003621176 177390762 /nfs/dbraw/zinc/39/07/62/177390762.db2.gz QYKSRNQOKWURKE-NSHDSACASA-N 1 0 210.280 3.164 10 0 BGAERO C[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000003621200 173320754 /nfs/dbraw/zinc/32/07/54/173320754.db2.gz HOBAOIJTNQNFFT-UHFFFAOYSA-N 1 0 203.329 3.151 10 0 BGAERO [NH3+]CC1c2ccccc2C=Cc2ccccc21 ZINC000003622666 181365780 /nfs/dbraw/zinc/36/57/80/181365780.db2.gz BKZVRYQHIBSITO-UHFFFAOYSA-N 1 0 221.303 3.261 10 0 in-vivo BGAERO CCCCCC1(c2cccc(O)c2)C[NH+](C)C1 ZINC000003622708 342735334 /nfs/dbraw/zinc/73/53/34/342735334.db2.gz BVHFQVFALHWYPP-UHFFFAOYSA-N 1 0 233.355 3.156 10 0 BGAERO O[C@H](CCC[NH+]1CCCCC1)c1ccsc1 ZINC000003624695 183219478 /nfs/dbraw/zinc/21/94/78/183219478.db2.gz MZGKGMBEJWEFID-CYBMUJFWSA-N 1 0 239.384 3.048 10 0 BGAERO O[C@@H](CCC[NH+]1CCCCC1)c1ccsc1 ZINC000003624698 183172737 /nfs/dbraw/zinc/17/27/37/183172737.db2.gz MZGKGMBEJWEFID-ZDUSSCGKSA-N 1 0 239.384 3.048 10 0 BGAERO CCC[C@@]1(c2cccc(OCC)c2)CC[N@H+](C)C1 ZINC000003628865 488039246 /nfs/dbraw/zinc/03/92/46/488039246.db2.gz CRIHJKFNPYBWGV-MRXNPFEDSA-N 1 0 247.382 3.459 10 0 BGAERO CCC[C@]1(c2cccc(OCC)c2)CC[N@H+](C)C1 ZINC000003628867 368875846 /nfs/dbraw/zinc/87/58/46/368875846.db2.gz CRIHJKFNPYBWGV-INIZCTEOSA-N 1 0 247.382 3.459 10 0 BGAERO c1ccc(N2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000003632954 368876205 /nfs/dbraw/zinc/87/62/05/368876205.db2.gz NERTZMRMWNBNJK-UHFFFAOYSA-N 1 0 244.382 3.141 10 0 BGAERO CC[NH+](CC)CCC1=CCc2ccccc21 ZINC000003634566 368876173 /nfs/dbraw/zinc/87/61/73/368876173.db2.gz MEJZJTAKIQXXFH-UHFFFAOYSA-N 1 0 215.340 3.358 10 0 BGAERO CC[N@@H+]1CCCC12C1CC3CC(C1)CC2C3 ZINC000003637389 368876182 /nfs/dbraw/zinc/87/61/82/368876182.db2.gz AVCIHHZHVQVDPS-UHFFFAOYSA-N 1 0 219.372 3.297 10 0 BGAERO C[NH+](C)C[C@H]1CC12C1CC3CC(C1)CC2C3 ZINC000003637392 388588221 /nfs/dbraw/zinc/58/82/21/388588221.db2.gz BVWDEPIFYCJURX-DUTNFGBUSA-N 1 0 219.372 3.010 10 0 BGAERO C[NH+](C)C[C@@H]1CC12C1CC3CC(C1)CC2C3 ZINC000003637393 388588203 /nfs/dbraw/zinc/58/82/03/388588203.db2.gz BVWDEPIFYCJURX-BPHCLYMKSA-N 1 0 219.372 3.010 10 0 BGAERO CCC[C@@]1(c2cccc(OC)c2)CC[N@H+](CC)C1 ZINC000003640191 350083600 /nfs/dbraw/zinc/08/36/00/350083600.db2.gz FRQRAKOYAOYKMF-MRXNPFEDSA-N 1 0 247.382 3.459 10 0 BGAERO CCC[C@]1(c2cccc(OC)c2)CC[N@H+](CC)C1 ZINC000003640193 368875926 /nfs/dbraw/zinc/87/59/26/368875926.db2.gz FRQRAKOYAOYKMF-INIZCTEOSA-N 1 0 247.382 3.459 10 0 BGAERO CCC[C@@]1(c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000003640489 388588420 /nfs/dbraw/zinc/58/84/20/388588420.db2.gz PQUUAATYCNQHBX-OAHLLOKOSA-N 1 0 233.355 3.069 10 0 BGAERO CCC[C@]1(c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000003640491 368877210 /nfs/dbraw/zinc/87/72/10/368877210.db2.gz PQUUAATYCNQHBX-HNNXBMFYSA-N 1 0 233.355 3.069 10 0 BGAERO CC1(C)CC(=O)C[C@@H](c2ccccc2Cl)N1 ZINC000003642083 384023260 /nfs/dbraw/zinc/02/32/60/384023260.db2.gz CSCYTRMTQDBUGL-LBPRGKRZSA-N 1 0 237.730 3.112 10 0 BGAERO CC1(C)CC(=O)C[C@H](c2ccccc2Cl)N1 ZINC000003642084 384023342 /nfs/dbraw/zinc/02/33/42/384023342.db2.gz CSCYTRMTQDBUGL-GFCCVEGCSA-N 1 0 237.730 3.112 10 0 BGAERO CC1(C)CC(=O)C[C@@H](c2cccc(Cl)c2)N1 ZINC000003642867 384023483 /nfs/dbraw/zinc/02/34/83/384023483.db2.gz KKFNBHRKUHKNEC-LBPRGKRZSA-N 1 0 237.730 3.112 10 0 BGAERO CC1(C)CC(=O)C[C@H](c2cccc(Cl)c2)N1 ZINC000003642869 384021922 /nfs/dbraw/zinc/02/19/22/384021922.db2.gz KKFNBHRKUHKNEC-GFCCVEGCSA-N 1 0 237.730 3.112 10 0 BGAERO CCC[N@@H+]1CCC[C@H]2c3c(O)cccc3CC[C@H]21 ZINC000003647318 342735788 /nfs/dbraw/zinc/73/57/88/342735788.db2.gz PXQVPBZSEWLGIX-ZIAGYGMSSA-N 1 0 245.366 3.296 10 0 BGAERO CC1CCC([N@H+](CCO)Cc2ccccc2)CC1 ZINC000003683559 168159829 /nfs/dbraw/zinc/15/98/29/168159829.db2.gz NIALBYYOBOMGJW-UHFFFAOYSA-N 1 0 247.382 3.060 10 0 BGAERO [NH3+]CCCc1c[nH]c2c1cc(Cl)cc2Cl ZINC000003698457 181385481 /nfs/dbraw/zinc/38/54/81/181385481.db2.gz IWQAPHDOJDWING-UHFFFAOYSA-N 1 0 243.137 3.366 10 0 BGAERO [NH3+]CCCc1c[nH]c2cc(Cl)cc(Cl)c12 ZINC000003698469 181385939 /nfs/dbraw/zinc/38/59/39/181385939.db2.gz ZCKSFJQWGCIREX-UHFFFAOYSA-N 1 0 243.137 3.366 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2ccccc2C(F)(F)F)C1 ZINC000003704265 176331135 /nfs/dbraw/zinc/33/11/35/176331135.db2.gz DPRWVICRCRRDKS-KWQFWETISA-N 1 0 229.245 3.376 10 0 BGAERO C[C@H]1C[NH2+][C@H](c2ccccc2C(F)(F)F)C1 ZINC000003704266 187927556 /nfs/dbraw/zinc/92/75/56/187927556.db2.gz DPRWVICRCRRDKS-KCJUWKMLSA-N 1 0 229.245 3.376 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2ccccc2C(F)(F)F)C1 ZINC000003704267 176330641 /nfs/dbraw/zinc/33/06/41/176330641.db2.gz DPRWVICRCRRDKS-GZMMTYOYSA-N 1 0 229.245 3.376 10 0 BGAERO C[C@H]1C[NH2+][C@@H](c2ccccc2C(F)(F)F)C1 ZINC000003704268 188101865 /nfs/dbraw/zinc/10/18/65/188101865.db2.gz DPRWVICRCRRDKS-LDYMZIIASA-N 1 0 229.245 3.376 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000003704269 342736659 /nfs/dbraw/zinc/73/66/59/342736659.db2.gz JTZYDTCIMTXLFH-KWQFWETISA-N 1 0 229.245 3.376 10 0 BGAERO C[C@H]1C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000003704270 187245972 /nfs/dbraw/zinc/24/59/72/187245972.db2.gz JTZYDTCIMTXLFH-KCJUWKMLSA-N 1 0 229.245 3.376 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000003704271 176330524 /nfs/dbraw/zinc/33/05/24/176330524.db2.gz JTZYDTCIMTXLFH-GZMMTYOYSA-N 1 0 229.245 3.376 10 0 BGAERO C[C@H]1C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000003704272 342736753 /nfs/dbraw/zinc/73/67/53/342736753.db2.gz JTZYDTCIMTXLFH-LDYMZIIASA-N 1 0 229.245 3.376 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2ccccc2Br)C1 ZINC000003704309 176331096 /nfs/dbraw/zinc/33/10/96/176331096.db2.gz SISAZVNXESWBMF-KWQFWETISA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1C[NH2+][C@H](c2ccccc2Br)C1 ZINC000003704310 187245848 /nfs/dbraw/zinc/24/58/48/187245848.db2.gz SISAZVNXESWBMF-KCJUWKMLSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2ccccc2Br)C1 ZINC000003704311 176330623 /nfs/dbraw/zinc/33/06/23/176330623.db2.gz SISAZVNXESWBMF-GZMMTYOYSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1C[NH2+][C@@H](c2ccccc2Br)C1 ZINC000003704312 188101415 /nfs/dbraw/zinc/10/14/15/188101415.db2.gz SISAZVNXESWBMF-LDYMZIIASA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2cccc(Br)c2)C1 ZINC000003704313 187246366 /nfs/dbraw/zinc/24/63/66/187246366.db2.gz GBTNDEYFOVMNNI-KWQFWETISA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1C[NH2+][C@H](c2cccc(Br)c2)C1 ZINC000003704314 219808788 /nfs/dbraw/zinc/80/87/88/219808788.db2.gz GBTNDEYFOVMNNI-KCJUWKMLSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC000003704315 176330483 /nfs/dbraw/zinc/33/04/83/176330483.db2.gz GBTNDEYFOVMNNI-GZMMTYOYSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1C[NH2+][C@@H](c2cccc(Br)c2)C1 ZINC000003704316 188101396 /nfs/dbraw/zinc/10/13/96/188101396.db2.gz GBTNDEYFOVMNNI-LDYMZIIASA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2ccc(Br)cc2)C1 ZINC000003704317 384023129 /nfs/dbraw/zinc/02/31/29/384023129.db2.gz JZGSAAUVHIIJFH-KWQFWETISA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1C[NH2+][C@H](c2ccc(Br)cc2)C1 ZINC000003704318 177286535 /nfs/dbraw/zinc/28/65/35/177286535.db2.gz JZGSAAUVHIIJFH-KCJUWKMLSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2ccc(Br)cc2)C1 ZINC000003704319 176330832 /nfs/dbraw/zinc/33/08/32/176330832.db2.gz JZGSAAUVHIIJFH-GZMMTYOYSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1C[NH2+][C@@H](c2ccc(Br)cc2)C1 ZINC000003704320 384023275 /nfs/dbraw/zinc/02/32/75/384023275.db2.gz JZGSAAUVHIIJFH-LDYMZIIASA-N 1 0 240.144 3.120 10 0 BGAERO CC(C)c1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003704381 342736559 /nfs/dbraw/zinc/73/65/59/342736559.db2.gz QCWNYKMALHCUHU-FZMZJTMJSA-N 1 0 203.329 3.481 10 0 BGAERO CC(C)c1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003704382 342736608 /nfs/dbraw/zinc/73/66/08/342736608.db2.gz QCWNYKMALHCUHU-RISCZKNCSA-N 1 0 203.329 3.481 10 0 BGAERO CC(C)c1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003704383 167620743 /nfs/dbraw/zinc/62/07/43/167620743.db2.gz QCWNYKMALHCUHU-SMDDNHRTSA-N 1 0 203.329 3.481 10 0 BGAERO CC(C)c1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003704384 342736775 /nfs/dbraw/zinc/73/67/75/342736775.db2.gz QCWNYKMALHCUHU-BXUZGUMPSA-N 1 0 203.329 3.481 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003704385 175122251 /nfs/dbraw/zinc/12/22/51/175122251.db2.gz JZENBGXOMVWSHY-KWQFWETISA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003704386 175122211 /nfs/dbraw/zinc/12/22/11/175122211.db2.gz JZENBGXOMVWSHY-KCJUWKMLSA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc(Cl)cc1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003704387 175123182 /nfs/dbraw/zinc/12/31/82/175123182.db2.gz JZENBGXOMVWSHY-GZMMTYOYSA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc(Cl)cc1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003704388 175122881 /nfs/dbraw/zinc/12/28/81/175122881.db2.gz JZENBGXOMVWSHY-LDYMZIIASA-N 1 0 225.719 3.019 10 0 BGAERO COc1c(Cl)cc(C)cc1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003704393 342736786 /nfs/dbraw/zinc/73/67/86/342736786.db2.gz WWDQBUNNKAQUOV-BXKDBHETSA-N 1 0 239.746 3.328 10 0 BGAERO COc1c(Cl)cc(C)cc1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003704394 342736782 /nfs/dbraw/zinc/73/67/82/342736782.db2.gz WWDQBUNNKAQUOV-SKDRFNHKSA-N 1 0 239.746 3.328 10 0 BGAERO COc1c(Cl)cc(C)cc1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003704395 342736579 /nfs/dbraw/zinc/73/65/79/342736579.db2.gz WWDQBUNNKAQUOV-JOYOIKCWSA-N 1 0 239.746 3.328 10 0 BGAERO COc1c(Cl)cc(C)cc1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003704396 342736746 /nfs/dbraw/zinc/73/67/46/342736746.db2.gz WWDQBUNNKAQUOV-CABZTGNLSA-N 1 0 239.746 3.328 10 0 BGAERO COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1Cl ZINC000003704401 175185551 /nfs/dbraw/zinc/18/55/51/175185551.db2.gz XZLIXEYPUDEWNT-KWQFWETISA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1Cl ZINC000003704402 175184415 /nfs/dbraw/zinc/18/44/15/175184415.db2.gz XZLIXEYPUDEWNT-KCJUWKMLSA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1Cl ZINC000003704403 175198153 /nfs/dbraw/zinc/19/81/53/175198153.db2.gz XZLIXEYPUDEWNT-GZMMTYOYSA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1Cl ZINC000003704404 175197049 /nfs/dbraw/zinc/19/70/49/175197049.db2.gz XZLIXEYPUDEWNT-LDYMZIIASA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1C(C)C ZINC000003704458 175185037 /nfs/dbraw/zinc/18/50/37/175185037.db2.gz UFWLDSFAUYPOFX-FZMZJTMJSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1C(C)C ZINC000003704459 175184236 /nfs/dbraw/zinc/18/42/36/175184236.db2.gz UFWLDSFAUYPOFX-RISCZKNCSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1C(C)C ZINC000003704460 175198232 /nfs/dbraw/zinc/19/82/32/175198232.db2.gz UFWLDSFAUYPOFX-SMDDNHRTSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1C(C)C ZINC000003704461 175196568 /nfs/dbraw/zinc/19/65/68/175196568.db2.gz UFWLDSFAUYPOFX-BXUZGUMPSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc(C(C)C)cc1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003704470 175069299 /nfs/dbraw/zinc/06/92/99/175069299.db2.gz WTXKWPJSIHSLRK-FZMZJTMJSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc(C(C)C)cc1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003704471 175069171 /nfs/dbraw/zinc/06/91/71/175069171.db2.gz WTXKWPJSIHSLRK-RISCZKNCSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc(C(C)C)cc1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003704472 175069978 /nfs/dbraw/zinc/06/99/78/175069978.db2.gz WTXKWPJSIHSLRK-SMDDNHRTSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc(C(C)C)cc1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003704935 175070291 /nfs/dbraw/zinc/07/02/91/175070291.db2.gz WTXKWPJSIHSLRK-BXUZGUMPSA-N 1 0 233.355 3.489 10 0 BGAERO Cc1cc(C)c([C@H]2C[C@@H](C)C[NH2+]2)cc1C ZINC000003704956 177876684 /nfs/dbraw/zinc/87/66/84/177876684.db2.gz KSPUNVDMMWYDRS-YMTOWFKASA-N 1 0 203.329 3.282 10 0 BGAERO Cc1cc(C)c([C@@H]2C[C@@H](C)C[NH2+]2)cc1C ZINC000003704957 384022790 /nfs/dbraw/zinc/02/27/90/384022790.db2.gz KSPUNVDMMWYDRS-OTYXRUKQSA-N 1 0 203.329 3.282 10 0 BGAERO Cc1cc(C)c([C@H]2C[C@H](C)C[NH2+]2)cc1C ZINC000003704958 384023463 /nfs/dbraw/zinc/02/34/63/384023463.db2.gz KSPUNVDMMWYDRS-LKFCYVNXSA-N 1 0 203.329 3.282 10 0 BGAERO Cc1cc(C)c([C@@H]2C[C@H](C)C[NH2+]2)cc1C ZINC000003704959 384023520 /nfs/dbraw/zinc/02/35/20/384023520.db2.gz KSPUNVDMMWYDRS-XPTSAGLGSA-N 1 0 203.329 3.282 10 0 BGAERO COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)c(Cl)c1 ZINC000003704960 175185476 /nfs/dbraw/zinc/18/54/76/175185476.db2.gz XHEFECWUYHIJGJ-UFBFGSQYSA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)c(Cl)c1 ZINC000003704961 175184254 /nfs/dbraw/zinc/18/42/54/175184254.db2.gz XHEFECWUYHIJGJ-PELKAZGASA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)c(Cl)c1 ZINC000003704962 175198163 /nfs/dbraw/zinc/19/81/63/175198163.db2.gz XHEFECWUYHIJGJ-QPUJVOFHSA-N 1 0 225.719 3.019 10 0 BGAERO COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)c(Cl)c1 ZINC000003704963 175197199 /nfs/dbraw/zinc/19/71/99/175197199.db2.gz XHEFECWUYHIJGJ-PRHODGIISA-N 1 0 225.719 3.019 10 0 BGAERO CCOc1cc(C)cc(C)c1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003705024 170520032 /nfs/dbraw/zinc/52/00/32/170520032.db2.gz WAPJEUVVVOFXHD-DGCLKSJQSA-N 1 0 233.355 3.373 10 0 BGAERO CCOc1cc(C)cc(C)c1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003705025 342736819 /nfs/dbraw/zinc/73/68/19/342736819.db2.gz WAPJEUVVVOFXHD-YPMHNXCESA-N 1 0 233.355 3.373 10 0 BGAERO CCOc1cc(C)cc(C)c1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003705026 170520062 /nfs/dbraw/zinc/52/00/62/170520062.db2.gz WAPJEUVVVOFXHD-WCQYABFASA-N 1 0 233.355 3.373 10 0 BGAERO CCOc1cc(C)cc(C)c1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003705027 342736989 /nfs/dbraw/zinc/73/69/89/342736989.db2.gz WAPJEUVVVOFXHD-AAEUAGOBSA-N 1 0 233.355 3.373 10 0 BGAERO CCOc1cc(C)c(C)cc1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003705028 342736976 /nfs/dbraw/zinc/73/69/76/342736976.db2.gz HTGRHRROCHITNG-QMTHXVAHSA-N 1 0 233.355 3.373 10 0 BGAERO CCOc1cc(C)c(C)cc1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003705029 342736942 /nfs/dbraw/zinc/73/69/42/342736942.db2.gz HTGRHRROCHITNG-YGRLFVJLSA-N 1 0 233.355 3.373 10 0 BGAERO CCOc1cc(C)c(C)cc1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003705030 342736925 /nfs/dbraw/zinc/73/69/25/342736925.db2.gz HTGRHRROCHITNG-IINYFYTJSA-N 1 0 233.355 3.373 10 0 BGAERO CCOc1cc(C)c(C)cc1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003705031 170518576 /nfs/dbraw/zinc/51/85/76/170518576.db2.gz HTGRHRROCHITNG-HZMBPMFUSA-N 1 0 233.355 3.373 10 0 BGAERO COc1cc(C)c(Cl)cc1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003705032 174959372 /nfs/dbraw/zinc/95/93/72/174959372.db2.gz SCJLOBABMKNRCQ-PRHODGIISA-N 1 0 239.746 3.328 10 0 BGAERO COc1cc(C)c(Cl)cc1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003705033 174959359 /nfs/dbraw/zinc/95/93/59/174959359.db2.gz SCJLOBABMKNRCQ-PELKAZGASA-N 1 0 239.746 3.328 10 0 BGAERO COc1cc(C)c(Cl)cc1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003705034 342736869 /nfs/dbraw/zinc/73/68/69/342736869.db2.gz SCJLOBABMKNRCQ-QPUJVOFHSA-N 1 0 239.746 3.328 10 0 BGAERO COc1cc(C)c(Cl)cc1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003705035 342737007 /nfs/dbraw/zinc/73/70/07/342737007.db2.gz SCJLOBABMKNRCQ-UFBFGSQYSA-N 1 0 239.746 3.328 10 0 BGAERO COc1cc(C(C)C)ccc1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003705040 342736890 /nfs/dbraw/zinc/73/68/90/342736890.db2.gz XKZNQQXCOJCQEK-FZMZJTMJSA-N 1 0 233.355 3.489 10 0 BGAERO COc1cc(C(C)C)ccc1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003705041 342736996 /nfs/dbraw/zinc/73/69/96/342736996.db2.gz XKZNQQXCOJCQEK-RISCZKNCSA-N 1 0 233.355 3.489 10 0 BGAERO COc1cc(C(C)C)ccc1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003705042 342736938 /nfs/dbraw/zinc/73/69/38/342736938.db2.gz XKZNQQXCOJCQEK-SMDDNHRTSA-N 1 0 233.355 3.489 10 0 BGAERO COc1cc(C(C)C)ccc1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003705043 342736863 /nfs/dbraw/zinc/73/68/63/342736863.db2.gz XKZNQQXCOJCQEK-BXUZGUMPSA-N 1 0 233.355 3.489 10 0 BGAERO CCOc1ccc([C@H]2C[C@@H](C)C[NH2+]2)c(CC)c1 ZINC000003705052 342736859 /nfs/dbraw/zinc/73/68/59/342736859.db2.gz TUHDMCBKEANBBL-IAQYHMDHSA-N 1 0 233.355 3.318 10 0 BGAERO CCOc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)c(CC)c1 ZINC000003705053 342736931 /nfs/dbraw/zinc/73/69/31/342736931.db2.gz TUHDMCBKEANBBL-ABAIWWIYSA-N 1 0 233.355 3.318 10 0 BGAERO CCOc1ccc([C@H]2C[C@H](C)C[NH2+]2)c(CC)c1 ZINC000003705054 342736983 /nfs/dbraw/zinc/73/69/83/342736983.db2.gz TUHDMCBKEANBBL-XHDPSFHLSA-N 1 0 233.355 3.318 10 0 BGAERO CCOc1ccc([C@@H]2C[C@H](C)C[NH2+]2)c(CC)c1 ZINC000003705055 170561350 /nfs/dbraw/zinc/56/13/50/170561350.db2.gz TUHDMCBKEANBBL-NHYWBVRUSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)c(C(C)C)c1 ZINC000003705060 175185108 /nfs/dbraw/zinc/18/51/08/175185108.db2.gz AZNLMFHCBNKGNM-NHYWBVRUSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)c(C(C)C)c1 ZINC000003705061 175184365 /nfs/dbraw/zinc/18/43/65/175184365.db2.gz AZNLMFHCBNKGNM-ABAIWWIYSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc([C@H]2C[C@H](C)C[NH2+]2)c(C(C)C)c1 ZINC000003705062 175198081 /nfs/dbraw/zinc/19/80/81/175198081.db2.gz AZNLMFHCBNKGNM-XHDPSFHLSA-N 1 0 233.355 3.489 10 0 BGAERO COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)c(C(C)C)c1 ZINC000003705063 175196679 /nfs/dbraw/zinc/19/66/79/175196679.db2.gz AZNLMFHCBNKGNM-IAQYHMDHSA-N 1 0 233.355 3.489 10 0 BGAERO COc1c(C)cc(Cl)cc1[C@H]1C[C@@H](C)C[NH2+]1 ZINC000003705092 342736848 /nfs/dbraw/zinc/73/68/48/342736848.db2.gz KXDRHQNQKYWVIL-PRHODGIISA-N 1 0 239.746 3.328 10 0 BGAERO COc1c(C)cc(Cl)cc1[C@@H]1C[C@@H](C)C[NH2+]1 ZINC000003705093 342736908 /nfs/dbraw/zinc/73/69/08/342736908.db2.gz KXDRHQNQKYWVIL-PELKAZGASA-N 1 0 239.746 3.328 10 0 BGAERO COc1c(C)cc(Cl)cc1[C@H]1C[C@H](C)C[NH2+]1 ZINC000003705094 342736967 /nfs/dbraw/zinc/73/69/67/342736967.db2.gz KXDRHQNQKYWVIL-QPUJVOFHSA-N 1 0 239.746 3.328 10 0 BGAERO COc1c(C)cc(Cl)cc1[C@@H]1C[C@H](C)C[NH2+]1 ZINC000003705095 342736986 /nfs/dbraw/zinc/73/69/86/342736986.db2.gz KXDRHQNQKYWVIL-UFBFGSQYSA-N 1 0 239.746 3.328 10 0 BGAERO CCCOc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003705104 169322554 /nfs/dbraw/zinc/32/25/54/169322554.db2.gz DZCCRCPKUCRDDM-BXUZGUMPSA-N 1 0 219.328 3.146 10 0 BGAERO CCCOc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003705105 169321378 /nfs/dbraw/zinc/32/13/78/169321378.db2.gz DZCCRCPKUCRDDM-RISCZKNCSA-N 1 0 219.328 3.146 10 0 BGAERO CCCOc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003705106 169322504 /nfs/dbraw/zinc/32/25/04/169322504.db2.gz DZCCRCPKUCRDDM-SMDDNHRTSA-N 1 0 219.328 3.146 10 0 BGAERO CCCOc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003705107 169321833 /nfs/dbraw/zinc/32/18/33/169321833.db2.gz DZCCRCPKUCRDDM-FZMZJTMJSA-N 1 0 219.328 3.146 10 0 BGAERO CC(C)COc1ccc([C@@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003705136 187246654 /nfs/dbraw/zinc/24/66/54/187246654.db2.gz PKDPZEJXGDPBMN-WFASDCNBSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)COc1ccc([C@@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003705137 384023178 /nfs/dbraw/zinc/02/31/78/384023178.db2.gz PKDPZEJXGDPBMN-DOMZBBRYSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)COc1ccc([C@H]2C[C@H](C)C[NH2+]2)cc1 ZINC000003705138 187246966 /nfs/dbraw/zinc/24/69/66/187246966.db2.gz PKDPZEJXGDPBMN-SWLSCSKDSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)COc1ccc([C@H]2C[C@@H](C)C[NH2+]2)cc1 ZINC000003705139 187247180 /nfs/dbraw/zinc/24/71/80/187247180.db2.gz PKDPZEJXGDPBMN-IUODEOHRSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)COc1cccc([C@@H]2C[C@H](C)C[NH2+]2)c1 ZINC000003705152 342736984 /nfs/dbraw/zinc/73/69/84/342736984.db2.gz UGKKKWPCIQDFEN-WFASDCNBSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)COc1cccc([C@@H]2C[C@@H](C)C[NH2+]2)c1 ZINC000003705153 384022611 /nfs/dbraw/zinc/02/26/11/384022611.db2.gz UGKKKWPCIQDFEN-DOMZBBRYSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)COc1cccc([C@H]2C[C@H](C)C[NH2+]2)c1 ZINC000003705154 188102023 /nfs/dbraw/zinc/10/20/23/188102023.db2.gz UGKKKWPCIQDFEN-SWLSCSKDSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)COc1cccc([C@H]2C[C@@H](C)C[NH2+]2)c1 ZINC000003705155 188102130 /nfs/dbraw/zinc/10/21/30/188102130.db2.gz UGKKKWPCIQDFEN-IUODEOHRSA-N 1 0 233.355 3.392 10 0 BGAERO COc1cc(C)c([C@H]2C[C@@H](C)C[NH2+]2)c(C)c1C ZINC000003705176 342736971 /nfs/dbraw/zinc/73/69/71/342736971.db2.gz MLCOJMQSTSNGHL-NOZJJQNGSA-N 1 0 233.355 3.291 10 0 BGAERO COc1cc(C)c([C@@H]2C[C@@H](C)C[NH2+]2)c(C)c1C ZINC000003705177 342736979 /nfs/dbraw/zinc/73/69/79/342736979.db2.gz MLCOJMQSTSNGHL-RNCFNFMXSA-N 1 0 233.355 3.291 10 0 BGAERO COc1cc(C)c([C@H]2C[C@H](C)C[NH2+]2)c(C)c1C ZINC000003705178 174964002 /nfs/dbraw/zinc/96/40/02/174964002.db2.gz MLCOJMQSTSNGHL-TVQRCGJNSA-N 1 0 233.355 3.291 10 0 BGAERO COc1cc(C)c([C@@H]2C[C@H](C)C[NH2+]2)c(C)c1C ZINC000003705179 342736970 /nfs/dbraw/zinc/73/69/70/342736970.db2.gz MLCOJMQSTSNGHL-ZANVPECISA-N 1 0 233.355 3.291 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2c(F)cccc2Cl)C1 ZINC000003705184 188102047 /nfs/dbraw/zinc/10/20/47/188102047.db2.gz FPHRKQGDYXOWFB-XVKPBYJWSA-N 1 0 213.683 3.150 10 0 BGAERO C[C@H]1C[NH2+][C@H](c2c(F)cccc2Cl)C1 ZINC000003705185 177286799 /nfs/dbraw/zinc/28/67/99/177286799.db2.gz FPHRKQGDYXOWFB-XCBNKYQSSA-N 1 0 213.683 3.150 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2c(F)cccc2Cl)C1 ZINC000003705186 176330955 /nfs/dbraw/zinc/33/09/55/176330955.db2.gz FPHRKQGDYXOWFB-OIBJUYFYSA-N 1 0 213.683 3.150 10 0 BGAERO C[C@H]1C[NH2+][C@@H](c2c(F)cccc2Cl)C1 ZINC000003705187 187410885 /nfs/dbraw/zinc/41/08/85/187410885.db2.gz FPHRKQGDYXOWFB-GMSGAONNSA-N 1 0 213.683 3.150 10 0 BGAERO C[C@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000003705344 358978929 /nfs/dbraw/zinc/97/89/29/358978929.db2.gz QMHSVKVFDUYKHS-LURJTMIESA-N 1 0 240.100 3.215 10 0 BGAERO C[C@@H]([NH3+])c1cc2cc(Br)ccc2o1 ZINC000003705345 387995536 /nfs/dbraw/zinc/99/55/36/387995536.db2.gz QMHSVKVFDUYKHS-ZCFIWIBFSA-N 1 0 240.100 3.215 10 0 BGAERO CCOc1ccc([C@@H](C)[NH3+])cc1C(C)C ZINC000003705470 170558097 /nfs/dbraw/zinc/55/80/97/170558097.db2.gz QTBYHTGMTUKWQW-SNVBAGLBSA-N 1 0 207.317 3.228 10 0 BGAERO C[C@@H]([NH3+])c1cc(F)ccc1OCc1ccccc1 ZINC000003705525 175816338 /nfs/dbraw/zinc/81/63/38/175816338.db2.gz NRVNMAXYTJMAJR-LLVKDONJSA-N 1 0 245.297 3.424 10 0 BGAERO COc1cc(Cl)c([C@H](C)[NH3+])cc1Cl ZINC000003705544 342736940 /nfs/dbraw/zinc/73/69/40/342736940.db2.gz HPEGJEXQYSLDRN-YFKPBYRVSA-N 1 0 220.099 3.022 10 0 BGAERO COc1cc(Cl)c([C@@H](C)[NH3+])cc1Cl ZINC000003705545 174988909 /nfs/dbraw/zinc/98/89/09/174988909.db2.gz HPEGJEXQYSLDRN-RXMQYKEDSA-N 1 0 220.099 3.022 10 0 BGAERO CCOc1cc(Cl)c([C@@H](C)[NH3+])cc1Cl ZINC000003705546 372056633 /nfs/dbraw/zinc/05/66/33/372056633.db2.gz MURTUVDLRQXQSK-ZCFIWIBFSA-N 1 0 234.126 3.412 10 0 BGAERO CCOc1cc(Cl)c([C@H](C)[NH3+])cc1Cl ZINC000003705547 170523291 /nfs/dbraw/zinc/52/32/91/170523291.db2.gz MURTUVDLRQXQSK-LURJTMIESA-N 1 0 234.126 3.412 10 0 BGAERO COc1c(Cl)cc(Cl)cc1[C@H](C)[NH3+] ZINC000003705564 174930309 /nfs/dbraw/zinc/93/03/09/174930309.db2.gz ZSVHYDGWYOZQGT-YFKPBYRVSA-N 1 0 220.099 3.022 10 0 BGAERO COc1c(Cl)cc(Cl)cc1[C@@H](C)[NH3+] ZINC000003705565 174930606 /nfs/dbraw/zinc/93/06/06/174930606.db2.gz ZSVHYDGWYOZQGT-RXMQYKEDSA-N 1 0 220.099 3.022 10 0 BGAERO C[C@H]([NH3+])c1ccc(OCc2ccccc2)c(F)c1 ZINC000003705584 176776714 /nfs/dbraw/zinc/77/67/14/176776714.db2.gz GOPKOUWJBMNYSV-NSHDSACASA-N 1 0 245.297 3.424 10 0 BGAERO CCOc1ccc2ccccc2c1[C@@H](C)[NH3+] ZINC000003705598 386702131 /nfs/dbraw/zinc/70/21/31/386702131.db2.gz KGBILPSCZNECBK-SNVBAGLBSA-N 1 0 215.296 3.258 10 0 BGAERO CCOc1ccc2ccccc2c1[C@H](C)[NH3+] ZINC000003705599 386701896 /nfs/dbraw/zinc/70/18/96/386701896.db2.gz KGBILPSCZNECBK-JTQLQIEISA-N 1 0 215.296 3.258 10 0 BGAERO C[C@H]([NH3+])c1ccc(Cc2ccccc2)cc1 ZINC000003705628 176775468 /nfs/dbraw/zinc/77/54/68/176775468.db2.gz DVJZQHKHDXZCFB-LBPRGKRZSA-N 1 0 211.308 3.297 10 0 BGAERO C[C@H]([NH3+])c1ccccc1OCc1ccccc1 ZINC000003705632 342736959 /nfs/dbraw/zinc/73/69/59/342736959.db2.gz KHMOVQVVIPNUFM-LBPRGKRZSA-N 1 0 227.307 3.285 10 0 BGAERO [NH3+]CCc1nc(-c2ccc(Cl)s2)cs1 ZINC000003708369 181413248 /nfs/dbraw/zinc/41/32/48/181413248.db2.gz CAWNKJULAXGECJ-UHFFFAOYSA-N 1 0 244.772 3.026 10 0 BGAERO C[C@@H]([NH3+])c1nc(-c2ccc(Cl)cc2)cs1 ZINC000003708657 175821063 /nfs/dbraw/zinc/82/10/63/175821063.db2.gz HNPRYJDUFSGDFI-SSDOTTSWSA-N 1 0 238.743 3.483 10 0 BGAERO Cc1sc([C@@H](C)[NH3+])nc1-c1ccccc1 ZINC000003708662 180559256 /nfs/dbraw/zinc/55/92/56/180559256.db2.gz XYBHDVOAGLZACE-MRVPVSSYSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1sc([C@@H](C)[NH3+])nc1-c1ccc(F)cc1 ZINC000003708664 356042542 /nfs/dbraw/zinc/04/25/42/356042542.db2.gz MASQNGLCBHUCCM-SSDOTTSWSA-N 1 0 236.315 3.277 10 0 BGAERO Cc1ccc(-c2csc([C@@H](C)[NH3+])n2)cc1 ZINC000003708668 178330653 /nfs/dbraw/zinc/33/06/53/178330653.db2.gz PAPDZNJNSWRFBJ-SECBINFHSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccc(-c2csc([C@@H](C)[NH3+])n2)c(C)c1 ZINC000003708688 178330459 /nfs/dbraw/zinc/33/04/59/178330459.db2.gz BELJRLTWLDPDSJ-SNVBAGLBSA-N 1 0 232.352 3.447 10 0 BGAERO Cc1ccc(C)c(-c2csc([C@@H](C)[NH3+])n2)c1 ZINC000003708690 385923899 /nfs/dbraw/zinc/92/38/99/385923899.db2.gz LFWAQXNRHIBFLI-SNVBAGLBSA-N 1 0 232.352 3.447 10 0 BGAERO CCc1ccc(-c2csc([C@@H](C)[NH3+])n2)cc1 ZINC000003708720 350117869 /nfs/dbraw/zinc/11/78/69/350117869.db2.gz WEKHDZQZWBROPW-SECBINFHSA-N 1 0 232.352 3.392 10 0 BGAERO Cc1ccc(-c2csc([C@@H](C)[NH3+])n2)cc1C ZINC000003708724 178330440 /nfs/dbraw/zinc/33/04/40/178330440.db2.gz LRJWZRPAPTUYQW-SNVBAGLBSA-N 1 0 232.352 3.447 10 0 BGAERO CCOc1ccc(-c2csc([C@@H](C)[NH3+])n2)cc1 ZINC000003708746 356042598 /nfs/dbraw/zinc/04/25/98/356042598.db2.gz GYKDSDFMAMWTTG-SECBINFHSA-N 1 0 248.351 3.229 10 0 BGAERO Cc1ccccc1-c1csc([C@@H](C)[NH3+])n1 ZINC000003709034 179236572 /nfs/dbraw/zinc/23/65/72/179236572.db2.gz RHONGIKIRZCGLL-SECBINFHSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccc(-c2csc([C@@H](C)[NH3+])n2)s1 ZINC000003709080 178330085 /nfs/dbraw/zinc/33/00/85/178330085.db2.gz JETKFRAFAPDVDT-SSDOTTSWSA-N 1 0 224.354 3.200 10 0 BGAERO C[C@@H]([NH3+])c1nc(C2CCCCC2)cs1 ZINC000003709139 384025131 /nfs/dbraw/zinc/02/51/31/384025131.db2.gz YFKIZMZCTOEUBW-MRVPVSSYSA-N 1 0 210.346 3.211 10 0 BGAERO C[NH2+][C@H](C)c1nc(-c2cccc(C)c2)cs1 ZINC000003709520 173450051 /nfs/dbraw/zinc/45/00/51/173450051.db2.gz ZKDLVVVDZHVFRN-SNVBAGLBSA-N 1 0 232.352 3.399 10 0 BGAERO CC(C)Cc1ccc(-c2csc(C[NH3+])n2)cc1 ZINC000003709677 188102085 /nfs/dbraw/zinc/10/20/85/188102085.db2.gz ZKCVMRVKKRHGNI-UHFFFAOYSA-N 1 0 246.379 3.467 10 0 BGAERO C[NH2+]Cc1nc(-c2ccc(Cl)cc2)cs1 ZINC000003710563 173395081 /nfs/dbraw/zinc/39/50/81/173395081.db2.gz LAFOZHUWFYOAEG-UHFFFAOYSA-N 1 0 238.743 3.183 10 0 BGAERO C[NH2+]Cc1nc(-c2ccccc2Cl)cs1 ZINC000003710577 173394421 /nfs/dbraw/zinc/39/44/21/173394421.db2.gz CQONBJHBJDMWCH-UHFFFAOYSA-N 1 0 238.743 3.183 10 0 BGAERO C[NH2+]Cc1nc(-c2cccc(Cl)c2)cs1 ZINC000003711045 173395065 /nfs/dbraw/zinc/39/50/65/173395065.db2.gz GZFCXNLUBFQJQW-UHFFFAOYSA-N 1 0 238.743 3.183 10 0 BGAERO C[NH2+]Cc1nc(-c2ccc(Cl)s2)cs1 ZINC000003711071 173395728 /nfs/dbraw/zinc/39/57/28/173395728.db2.gz AOAMXARDJRTYTL-UHFFFAOYSA-N 1 0 244.772 3.244 10 0 BGAERO Clc1ccc(C[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000003732325 398325433 /nfs/dbraw/zinc/32/54/33/398325433.db2.gz VSXVOJLCNNDQHI-SNVBAGLBSA-N 1 0 230.138 3.288 10 0 BGAERO Clc1ccc(C[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000003732326 180581179 /nfs/dbraw/zinc/58/11/79/180581179.db2.gz VSXVOJLCNNDQHI-JTQLQIEISA-N 1 0 230.138 3.288 10 0 BGAERO Clc1cccc(Cl)c1C[C@@H]1CCC[NH2+]1 ZINC000003732399 180590461 /nfs/dbraw/zinc/59/04/61/180590461.db2.gz URLIRBAPLAPCTE-QMMMGPOBSA-N 1 0 230.138 3.288 10 0 BGAERO c1sc2ccccc2c1[C@H]1CCC[NH2+]1 ZINC000003732433 398325413 /nfs/dbraw/zinc/32/54/13/398325413.db2.gz FVVWVQORZLPJKD-LLVKDONJSA-N 1 0 203.310 3.326 10 0 BGAERO c1sc2ccccc2c1[C@@H]1CCC[NH2+]1 ZINC000003732434 386828210 /nfs/dbraw/zinc/82/82/10/386828210.db2.gz FVVWVQORZLPJKD-NSHDSACASA-N 1 0 203.310 3.326 10 0 BGAERO CC(C)C[C@@H]1[NH2+]CC[C@@H]1Cc1ccccc1 ZINC000003732567 187927645 /nfs/dbraw/zinc/92/76/45/187927645.db2.gz WRETYGHQPRNRBN-CABCVRRESA-N 1 0 217.356 3.253 10 0 BGAERO CC(C)C[C@@H]1[NH2+]CC[C@H]1Cc1ccccc1 ZINC000003732568 187247332 /nfs/dbraw/zinc/24/73/32/187247332.db2.gz WRETYGHQPRNRBN-GJZGRUSLSA-N 1 0 217.356 3.253 10 0 BGAERO CC(C)C[C@H]1[NH2+]CC[C@H]1Cc1ccccc1 ZINC000003732569 384025665 /nfs/dbraw/zinc/02/56/65/384025665.db2.gz WRETYGHQPRNRBN-LSDHHAIUSA-N 1 0 217.356 3.253 10 0 BGAERO CCOc1ccc([C@@H]2[NH2+]CC[C@@H]2CC)cc1 ZINC000003733164 342737190 /nfs/dbraw/zinc/73/71/90/342737190.db2.gz PNAWNAOOGMRYLY-SMDDNHRTSA-N 1 0 219.328 3.146 10 0 BGAERO CCOc1ccc([C@@H]2[NH2+]CC[C@H]2CC)cc1 ZINC000003733165 342737192 /nfs/dbraw/zinc/73/71/92/342737192.db2.gz PNAWNAOOGMRYLY-BXUZGUMPSA-N 1 0 219.328 3.146 10 0 BGAERO CCOc1ccc([C@H]2[NH2+]CC[C@@H]2CC)cc1 ZINC000003733166 170565436 /nfs/dbraw/zinc/56/54/36/170565436.db2.gz PNAWNAOOGMRYLY-FZMZJTMJSA-N 1 0 219.328 3.146 10 0 BGAERO CCOc1ccc([C@H]2[NH2+]CC[C@H]2CC)cc1 ZINC000003733167 170564796 /nfs/dbraw/zinc/56/47/96/170564796.db2.gz PNAWNAOOGMRYLY-RISCZKNCSA-N 1 0 219.328 3.146 10 0 BGAERO CC[C@H]1CC[NH2+][C@H]1c1cc(C)cc(C)c1 ZINC000003733252 171639304 /nfs/dbraw/zinc/63/93/04/171639304.db2.gz LPYYSLCBWFJMBV-GXTWGEPZSA-N 1 0 203.329 3.364 10 0 BGAERO CC[C@@H]1CC[NH2+][C@H]1c1cc(C)cc(C)c1 ZINC000003733253 171027419 /nfs/dbraw/zinc/02/74/19/171027419.db2.gz LPYYSLCBWFJMBV-TZMCWYRMSA-N 1 0 203.329 3.364 10 0 BGAERO CC[C@H]1CC[NH2+][C@@H]1c1cc(C)cc(C)c1 ZINC000003733254 342737101 /nfs/dbraw/zinc/73/71/01/342737101.db2.gz LPYYSLCBWFJMBV-JSGCOSHPSA-N 1 0 203.329 3.364 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@H]1c1cc(C)cc(C)c1 ZINC000003733255 171027362 /nfs/dbraw/zinc/02/73/62/171027362.db2.gz LPYYSLCBWFJMBV-OCCSQVGLSA-N 1 0 203.329 3.364 10 0 BGAERO CC[C@H]1CC[NH2+][C@H]1CCCc1ccccc1 ZINC000003733306 342737176 /nfs/dbraw/zinc/73/71/76/342737176.db2.gz SXOZOAZLZOOHGF-GJZGRUSLSA-N 1 0 217.356 3.397 10 0 BGAERO CC[C@@H]1CC[NH2+][C@H]1CCCc1ccccc1 ZINC000003733307 171027732 /nfs/dbraw/zinc/02/77/32/171027732.db2.gz SXOZOAZLZOOHGF-CABCVRRESA-N 1 0 217.356 3.397 10 0 BGAERO CC[C@H]1CC[NH2+][C@@H]1CCCc1ccccc1 ZINC000003733308 342737170 /nfs/dbraw/zinc/73/71/70/342737170.db2.gz SXOZOAZLZOOHGF-LSDHHAIUSA-N 1 0 217.356 3.397 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@H]1CCCc1ccccc1 ZINC000003733309 171027331 /nfs/dbraw/zinc/02/73/31/171027331.db2.gz SXOZOAZLZOOHGF-HUUCEWRRSA-N 1 0 217.356 3.397 10 0 BGAERO CC[C@H]1CC[NH2+][C@H]1CCc1ccccc1 ZINC000003733354 342737205 /nfs/dbraw/zinc/73/72/05/342737205.db2.gz PROORIYEZZECJJ-KBPBESRZSA-N 1 0 203.329 3.007 10 0 BGAERO CC[C@@H]1CC[NH2+][C@H]1CCc1ccccc1 ZINC000003733355 171026516 /nfs/dbraw/zinc/02/65/16/171026516.db2.gz PROORIYEZZECJJ-KGLIPLIRSA-N 1 0 203.329 3.007 10 0 BGAERO CC[C@H]1CC[NH2+][C@@H]1CCc1ccccc1 ZINC000003733356 171639041 /nfs/dbraw/zinc/63/90/41/171639041.db2.gz PROORIYEZZECJJ-UONOGXRCSA-N 1 0 203.329 3.007 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@H]1CCc1ccccc1 ZINC000003733357 171027498 /nfs/dbraw/zinc/02/74/98/171027498.db2.gz PROORIYEZZECJJ-ZIAGYGMSSA-N 1 0 203.329 3.007 10 0 BGAERO CC[C@H]1CC[NH2+][C@H]1c1ccc(C)cc1C ZINC000003733362 342737162 /nfs/dbraw/zinc/73/71/62/342737162.db2.gz KFTJJQRHZGGXTA-GXTWGEPZSA-N 1 0 203.329 3.364 10 0 BGAERO CC[C@@H]1CC[NH2+][C@H]1c1ccc(C)cc1C ZINC000003733363 171027830 /nfs/dbraw/zinc/02/78/30/171027830.db2.gz KFTJJQRHZGGXTA-TZMCWYRMSA-N 1 0 203.329 3.364 10 0 BGAERO CC[C@H]1CC[NH2+][C@@H]1c1ccc(C)cc1C ZINC000003733364 342737131 /nfs/dbraw/zinc/73/71/31/342737131.db2.gz KFTJJQRHZGGXTA-JSGCOSHPSA-N 1 0 203.329 3.364 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@H]1c1ccc(C)cc1C ZINC000003733365 171026595 /nfs/dbraw/zinc/02/65/95/171026595.db2.gz KFTJJQRHZGGXTA-OCCSQVGLSA-N 1 0 203.329 3.364 10 0 BGAERO CCOc1ccccc1[C@@H]1[NH2+]CC[C@@H]1CC ZINC000003733394 342737105 /nfs/dbraw/zinc/73/71/05/342737105.db2.gz FDAUOSFHAKRTPB-SMDDNHRTSA-N 1 0 219.328 3.146 10 0 BGAERO CCOc1ccccc1[C@@H]1[NH2+]CC[C@H]1CC ZINC000003733395 342737080 /nfs/dbraw/zinc/73/70/80/342737080.db2.gz FDAUOSFHAKRTPB-BXUZGUMPSA-N 1 0 219.328 3.146 10 0 BGAERO CCOc1ccccc1[C@H]1[NH2+]CC[C@@H]1CC ZINC000003733396 170599789 /nfs/dbraw/zinc/59/97/89/170599789.db2.gz FDAUOSFHAKRTPB-FZMZJTMJSA-N 1 0 219.328 3.146 10 0 BGAERO CCOc1ccccc1[C@H]1[NH2+]CC[C@H]1CC ZINC000003733397 342737213 /nfs/dbraw/zinc/73/72/13/342737213.db2.gz FDAUOSFHAKRTPB-RISCZKNCSA-N 1 0 219.328 3.146 10 0 BGAERO CCc1ccc([C@@H]2[NH2+]CC[C@@H]2CC)cc1 ZINC000003733438 171836693 /nfs/dbraw/zinc/83/66/93/171836693.db2.gz ZBWLAIZYRGDTKF-GXTWGEPZSA-N 1 0 203.329 3.310 10 0 BGAERO CCc1ccc([C@H]2[NH2+]CC[C@@H]2CC)cc1 ZINC000003733439 171845480 /nfs/dbraw/zinc/84/54/80/171845480.db2.gz ZBWLAIZYRGDTKF-JSGCOSHPSA-N 1 0 203.329 3.310 10 0 BGAERO CCc1ccc([C@@H]2[NH2+]CC[C@H]2CC)cc1 ZINC000003733440 384026118 /nfs/dbraw/zinc/02/61/18/384026118.db2.gz ZBWLAIZYRGDTKF-TZMCWYRMSA-N 1 0 203.329 3.310 10 0 BGAERO CCc1ccc([C@H]2[NH2+]CC[C@H]2CC)cc1 ZINC000003733441 384024927 /nfs/dbraw/zinc/02/49/27/384024927.db2.gz ZBWLAIZYRGDTKF-OCCSQVGLSA-N 1 0 203.329 3.310 10 0 BGAERO CC[C@H]1CC[NH2+][C@H]1c1ccc(F)cc1F ZINC000003733496 342737216 /nfs/dbraw/zinc/73/72/16/342737216.db2.gz SRMGWYLWTPPWRZ-QPUJVOFHSA-N 1 0 211.255 3.025 10 0 BGAERO CC[C@@H]1CC[NH2+][C@H]1c1ccc(F)cc1F ZINC000003733497 171026332 /nfs/dbraw/zinc/02/63/32/171026332.db2.gz SRMGWYLWTPPWRZ-PRHODGIISA-N 1 0 211.255 3.025 10 0 BGAERO CC[C@H]1CC[NH2+][C@@H]1c1ccc(F)cc1F ZINC000003733498 517832723 /nfs/dbraw/zinc/83/27/23/517832723.db2.gz SRMGWYLWTPPWRZ-UFBFGSQYSA-N 1 0 211.255 3.025 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@H]1c1ccc(F)cc1F ZINC000003733499 171026353 /nfs/dbraw/zinc/02/63/53/171026353.db2.gz SRMGWYLWTPPWRZ-PELKAZGASA-N 1 0 211.255 3.025 10 0 BGAERO C[C@H]1CC[NH2+][C@H]1c1ccc(Br)cc1 ZINC000003733659 177176146 /nfs/dbraw/zinc/17/61/46/177176146.db2.gz PMQDENQNSQEFAU-GZMMTYOYSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1CC[NH2+][C@H]1c1ccc(Br)cc1 ZINC000003733660 176187343 /nfs/dbraw/zinc/18/73/43/176187343.db2.gz PMQDENQNSQEFAU-LDYMZIIASA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1CC[NH2+][C@@H]1c1ccc(Br)cc1 ZINC000003733661 177175818 /nfs/dbraw/zinc/17/58/18/177175818.db2.gz PMQDENQNSQEFAU-KWQFWETISA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H]1c1ccc(Br)cc1 ZINC000003733662 176185883 /nfs/dbraw/zinc/18/58/83/176185883.db2.gz PMQDENQNSQEFAU-KCJUWKMLSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1CC[NH2+][C@H]1c1ccccc1Br ZINC000003733663 177176148 /nfs/dbraw/zinc/17/61/48/177176148.db2.gz CGRTUJHTVYUUOB-GZMMTYOYSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1CC[NH2+][C@H]1c1ccccc1Br ZINC000003733664 176187681 /nfs/dbraw/zinc/18/76/81/176187681.db2.gz CGRTUJHTVYUUOB-LDYMZIIASA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1CC[NH2+][C@@H]1c1ccccc1Br ZINC000003733665 177175245 /nfs/dbraw/zinc/17/52/45/177175245.db2.gz CGRTUJHTVYUUOB-KWQFWETISA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H]1c1ccccc1Br ZINC000003733666 176185987 /nfs/dbraw/zinc/18/59/87/176185987.db2.gz CGRTUJHTVYUUOB-KCJUWKMLSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1CC[NH2+][C@H]1c1cccc(Br)c1 ZINC000003733938 177176128 /nfs/dbraw/zinc/17/61/28/177176128.db2.gz YXMVLVBYFCITAI-GZMMTYOYSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1CC[NH2+][C@H]1c1cccc(Br)c1 ZINC000003733939 176186877 /nfs/dbraw/zinc/18/68/77/176186877.db2.gz YXMVLVBYFCITAI-LDYMZIIASA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1CC[NH2+][C@@H]1c1cccc(Br)c1 ZINC000003733940 177175653 /nfs/dbraw/zinc/17/56/53/177175653.db2.gz YXMVLVBYFCITAI-KWQFWETISA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H]1c1cccc(Br)c1 ZINC000003733941 176186066 /nfs/dbraw/zinc/18/60/66/176186066.db2.gz YXMVLVBYFCITAI-KCJUWKMLSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]1CC[NH2+][C@H]1c1cccc(C(F)(F)F)c1 ZINC000003733942 177176172 /nfs/dbraw/zinc/17/61/72/177176172.db2.gz MZNMUBXCCDBGEI-GZMMTYOYSA-N 1 0 229.245 3.376 10 0 BGAERO C[C@@H]1CC[NH2+][C@H]1c1cccc(C(F)(F)F)c1 ZINC000003733943 176187470 /nfs/dbraw/zinc/18/74/70/176187470.db2.gz MZNMUBXCCDBGEI-LDYMZIIASA-N 1 0 229.245 3.376 10 0 BGAERO C[C@H]1CC[NH2+][C@@H]1c1cccc(C(F)(F)F)c1 ZINC000003733944 177175361 /nfs/dbraw/zinc/17/53/61/177175361.db2.gz MZNMUBXCCDBGEI-KWQFWETISA-N 1 0 229.245 3.376 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H]1c1cccc(C(F)(F)F)c1 ZINC000003733945 176185977 /nfs/dbraw/zinc/18/59/77/176185977.db2.gz MZNMUBXCCDBGEI-KCJUWKMLSA-N 1 0 229.245 3.376 10 0 BGAERO C[C@H]1CC[NH2+][C@H]1c1ccccc1C(F)(F)F ZINC000003734369 177176608 /nfs/dbraw/zinc/17/66/08/177176608.db2.gz XQYXXKJTUAGMGG-GZMMTYOYSA-N 1 0 229.245 3.376 10 0 BGAERO C[C@@H]1CC[NH2+][C@H]1c1ccccc1C(F)(F)F ZINC000003734370 176187088 /nfs/dbraw/zinc/18/70/88/176187088.db2.gz XQYXXKJTUAGMGG-LDYMZIIASA-N 1 0 229.245 3.376 10 0 BGAERO C[C@H]1CC[NH2+][C@@H]1c1ccccc1C(F)(F)F ZINC000003734371 177175115 /nfs/dbraw/zinc/17/51/15/177175115.db2.gz XQYXXKJTUAGMGG-KWQFWETISA-N 1 0 229.245 3.376 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H]1c1ccccc1C(F)(F)F ZINC000003734372 176185927 /nfs/dbraw/zinc/18/59/27/176185927.db2.gz XQYXXKJTUAGMGG-KCJUWKMLSA-N 1 0 229.245 3.376 10 0 BGAERO Cc1cc(C)c([C@H]2CCCC[NH2+]2)c(C)c1 ZINC000003734654 386853412 /nfs/dbraw/zinc/85/34/12/386853412.db2.gz PKXSYLXCSCGFRU-CYBMUJFWSA-N 1 0 203.329 3.426 10 0 BGAERO Cc1cc(C)c([C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000003734655 386853672 /nfs/dbraw/zinc/85/36/72/386853672.db2.gz PKXSYLXCSCGFRU-ZDUSSCGKSA-N 1 0 203.329 3.426 10 0 BGAERO Clc1ccccc1C[C@H]1CCCC[NH2+]1 ZINC000003734695 342737069 /nfs/dbraw/zinc/73/70/69/342737069.db2.gz UZBIBEMENMIFQP-LLVKDONJSA-N 1 0 209.720 3.025 10 0 BGAERO Clc1ccccc1C[C@@H]1CCCC[NH2+]1 ZINC000003734696 180595079 /nfs/dbraw/zinc/59/50/79/180595079.db2.gz UZBIBEMENMIFQP-NSHDSACASA-N 1 0 209.720 3.025 10 0 BGAERO CCOc1ccc([C@@H]2CCCC[NH2+]2)cc1OCC ZINC000003734702 170560447 /nfs/dbraw/zinc/56/04/47/170560447.db2.gz QFVAXUYNYSLQAI-ZDUSSCGKSA-N 1 0 249.354 3.299 10 0 BGAERO c1ccc2ncc([C@H]3CCCC[NH2+]3)cc2c1 ZINC000003734736 386852558 /nfs/dbraw/zinc/85/25/58/386852558.db2.gz AKCWNPNUEGRCQW-CQSZACIVSA-N 1 0 212.296 3.049 10 0 BGAERO c1ccc2ncc([C@@H]3CCCC[NH2+]3)cc2c1 ZINC000003734737 386853763 /nfs/dbraw/zinc/85/37/63/386853763.db2.gz AKCWNPNUEGRCQW-AWEZNQCLSA-N 1 0 212.296 3.049 10 0 BGAERO c1cnc2c(c1)cccc2[C@H]1CCCC[NH2+]1 ZINC000003734738 386852565 /nfs/dbraw/zinc/85/25/65/386852565.db2.gz CACPPWPLYIEBOK-CYBMUJFWSA-N 1 0 212.296 3.049 10 0 BGAERO c1cnc2c(c1)cccc2[C@@H]1CCCC[NH2+]1 ZINC000003734739 386853290 /nfs/dbraw/zinc/85/32/90/386853290.db2.gz CACPPWPLYIEBOK-ZDUSSCGKSA-N 1 0 212.296 3.049 10 0 BGAERO c1cnc2cccc([C@H]3CCCC[NH2+]3)c2c1 ZINC000003734742 183362966 /nfs/dbraw/zinc/36/29/66/183362966.db2.gz JPUMREQQUZUIKP-CYBMUJFWSA-N 1 0 212.296 3.049 10 0 BGAERO c1cnc2cccc([C@@H]3CCCC[NH2+]3)c2c1 ZINC000003734743 183360125 /nfs/dbraw/zinc/36/01/25/183360125.db2.gz JPUMREQQUZUIKP-ZDUSSCGKSA-N 1 0 212.296 3.049 10 0 BGAERO Fc1ccc([C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000003734761 350874018 /nfs/dbraw/zinc/87/40/18/350874018.db2.gz JBBDTILJSUYNTC-LLVKDONJSA-N 1 0 213.683 3.294 10 0 BGAERO Fc1ccc([C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000003734762 350874047 /nfs/dbraw/zinc/87/40/47/350874047.db2.gz JBBDTILJSUYNTC-NSHDSACASA-N 1 0 213.683 3.294 10 0 BGAERO Clc1ccc([C@H]2CCCC[NH2+]2)s1 ZINC000003734797 350873931 /nfs/dbraw/zinc/87/39/31/350873931.db2.gz KKPWSVJXSDAZAA-SSDOTTSWSA-N 1 0 201.722 3.216 10 0 BGAERO Clc1ccc([C@@H]2CCCC[NH2+]2)s1 ZINC000003734798 350873958 /nfs/dbraw/zinc/87/39/58/350873958.db2.gz KKPWSVJXSDAZAA-ZETCQYMHSA-N 1 0 201.722 3.216 10 0 BGAERO c1c2ccccc2oc1[C@H]1CCCC[NH2+]1 ZINC000003734813 384026010 /nfs/dbraw/zinc/02/60/10/384026010.db2.gz XIELQQIWNMCNQR-LLVKDONJSA-N 1 0 201.269 3.247 10 0 BGAERO Brc1ccsc1[C@H]1CCCC[NH2+]1 ZINC000003734817 166103990 /nfs/dbraw/zinc/10/39/90/166103990.db2.gz AUVBKZRYTPYTFZ-MRVPVSSYSA-N 1 0 246.173 3.325 10 0 BGAERO Brc1ccsc1[C@@H]1CCCC[NH2+]1 ZINC000003734818 166104773 /nfs/dbraw/zinc/10/47/73/166104773.db2.gz AUVBKZRYTPYTFZ-QMMMGPOBSA-N 1 0 246.173 3.325 10 0 BGAERO COc1ccc(CC[C@H]2CCCCC[NH2+]2)cc1 ZINC000003734967 175093503 /nfs/dbraw/zinc/09/35/03/175093503.db2.gz KUOMHKNXTXVTPZ-CQSZACIVSA-N 1 0 233.355 3.160 10 0 BGAERO COc1ccc(CC[C@@H]2CCCCC[NH2+]2)cc1 ZINC000003734968 175093395 /nfs/dbraw/zinc/09/33/95/175093395.db2.gz KUOMHKNXTXVTPZ-AWEZNQCLSA-N 1 0 233.355 3.160 10 0 BGAERO c1ccc(CC[C@H]2CCCCC[NH2+]2)cc1 ZINC000003735003 183395473 /nfs/dbraw/zinc/39/54/73/183395473.db2.gz AWXJHRMVOKJJEG-CQSZACIVSA-N 1 0 203.329 3.151 10 0 BGAERO c1ccc(CC[C@@H]2CCCCC[NH2+]2)cc1 ZINC000003735004 183394494 /nfs/dbraw/zinc/39/44/94/183394494.db2.gz AWXJHRMVOKJJEG-AWEZNQCLSA-N 1 0 203.329 3.151 10 0 BGAERO CCOc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000003735022 342737291 /nfs/dbraw/zinc/73/72/91/342737291.db2.gz CYEBPDMMZZELNP-CYBMUJFWSA-N 1 0 219.328 3.290 10 0 BGAERO CCOc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000003735023 342737394 /nfs/dbraw/zinc/73/73/94/342737394.db2.gz CYEBPDMMZZELNP-ZDUSSCGKSA-N 1 0 219.328 3.290 10 0 BGAERO Clc1ccccc1C[C@H]1CCCCC[NH2+]1 ZINC000003735042 342737482 /nfs/dbraw/zinc/73/74/82/342737482.db2.gz FPHRGKMQZIWWQQ-GFCCVEGCSA-N 1 0 223.747 3.415 10 0 BGAERO Clc1ccccc1C[C@@H]1CCCCC[NH2+]1 ZINC000003735043 342737421 /nfs/dbraw/zinc/73/74/21/342737421.db2.gz FPHRGKMQZIWWQQ-LBPRGKRZSA-N 1 0 223.747 3.415 10 0 BGAERO CCc1ccc([C@H]2CCCCC[NH2+]2)cc1 ZINC000003735044 384026226 /nfs/dbraw/zinc/02/62/26/384026226.db2.gz YJDPUVZYSQGHKF-CQSZACIVSA-N 1 0 203.329 3.454 10 0 BGAERO CCc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000003735045 384026694 /nfs/dbraw/zinc/02/66/94/384026694.db2.gz YJDPUVZYSQGHKF-AWEZNQCLSA-N 1 0 203.329 3.454 10 0 BGAERO c1cnc2c(c1)cccc2[C@H]1CCCCC[NH2+]1 ZINC000003735090 183485904 /nfs/dbraw/zinc/48/59/04/183485904.db2.gz LDVHMAFKKYMHGH-CQSZACIVSA-N 1 0 226.323 3.440 10 0 BGAERO c1cnc2c(c1)cccc2[C@@H]1CCCCC[NH2+]1 ZINC000003735091 386854872 /nfs/dbraw/zinc/85/48/72/386854872.db2.gz LDVHMAFKKYMHGH-AWEZNQCLSA-N 1 0 226.323 3.440 10 0 BGAERO [NH3+][C@H](c1cc2ccccc2s1)C1CC1 ZINC000003739179 181630353 /nfs/dbraw/zinc/63/03/53/181630353.db2.gz ZGFRYPLTNVGDIV-LBPRGKRZSA-N 1 0 203.310 3.311 10 0 BGAERO CCCCc1ccc([C@H]([NH3+])C2CC2)cc1 ZINC000003739188 169023643 /nfs/dbraw/zinc/02/36/43/169023643.db2.gz RTYOJTFRWJLYFY-AWEZNQCLSA-N 1 0 203.329 3.439 10 0 BGAERO CCCCc1ccc([C@@H]([NH3+])C2CC2)cc1 ZINC000003739189 169022463 /nfs/dbraw/zinc/02/24/63/169022463.db2.gz RTYOJTFRWJLYFY-CQSZACIVSA-N 1 0 203.329 3.439 10 0 BGAERO [NH3+][C@H](c1ccccc1C(F)(F)F)C1CC1 ZINC000003739231 181633167 /nfs/dbraw/zinc/63/31/67/181633167.db2.gz IQDYMLHGGSCJNF-JTQLQIEISA-N 1 0 215.218 3.115 10 0 BGAERO [NH3+][C@@H](c1ccc(Cl)cc1Cl)C1CC1 ZINC000003739232 350876648 /nfs/dbraw/zinc/87/66/48/350876648.db2.gz HVGRKJGUBBZMBU-SNVBAGLBSA-N 1 0 216.111 3.403 10 0 BGAERO [NH3+][C@H](c1ccc(Cl)cc1Cl)C1CC1 ZINC000003739233 181631131 /nfs/dbraw/zinc/63/11/31/181631131.db2.gz HVGRKJGUBBZMBU-JTQLQIEISA-N 1 0 216.111 3.403 10 0 BGAERO [NH3+][C@@H](c1cc(Cl)ccc1Cl)C1CC1 ZINC000003739234 181561750 /nfs/dbraw/zinc/56/17/50/181561750.db2.gz VRSRQMBHNJEIJF-SNVBAGLBSA-N 1 0 216.111 3.403 10 0 BGAERO [NH3+][C@H](c1cc(Cl)ccc1Cl)C1CC1 ZINC000003739235 350876833 /nfs/dbraw/zinc/87/68/33/350876833.db2.gz VRSRQMBHNJEIJF-JTQLQIEISA-N 1 0 216.111 3.403 10 0 BGAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000003739236 350876843 /nfs/dbraw/zinc/87/68/43/350876843.db2.gz BCQBDKWNINNFAX-SNVBAGLBSA-N 1 0 216.111 3.403 10 0 BGAERO [NH3+][C@H](c1ccc(Cl)c(Cl)c1)C1CC1 ZINC000003739237 181629745 /nfs/dbraw/zinc/62/97/45/181629745.db2.gz BCQBDKWNINNFAX-JTQLQIEISA-N 1 0 216.111 3.403 10 0 BGAERO CCCCOc1ccc([C@@H]([NH3+])C2CC2)cc1 ZINC000003739263 188101682 /nfs/dbraw/zinc/10/16/82/188101682.db2.gz IGSLZBXIWLPFLE-AWEZNQCLSA-N 1 0 219.328 3.275 10 0 BGAERO [NH3+][C@@H](c1cc(Cl)sc1Cl)C1CC1 ZINC000003739268 350876949 /nfs/dbraw/zinc/87/69/49/350876949.db2.gz IRTIACRJBOVLME-SSDOTTSWSA-N 1 0 222.140 3.465 10 0 BGAERO [NH3+][C@H](c1cc(Cl)sc1Cl)C1CC1 ZINC000003739269 350876757 /nfs/dbraw/zinc/87/67/57/350876757.db2.gz IRTIACRJBOVLME-ZETCQYMHSA-N 1 0 222.140 3.465 10 0 BGAERO [NH3+][C@@H](c1ccc2c3c(cccc31)CC2)C1CC1 ZINC000003739272 181564234 /nfs/dbraw/zinc/56/42/34/181564234.db2.gz PGEDIEUDDSCOLN-MRXNPFEDSA-N 1 0 223.319 3.348 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CC2)c2ccccc12 ZINC000003739288 175190728 /nfs/dbraw/zinc/19/07/28/175190728.db2.gz LURVTJPXDVNMFK-OAHLLOKOSA-N 1 0 227.307 3.258 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CC2)c2ccccc12 ZINC000003739289 175179370 /nfs/dbraw/zinc/17/93/70/175179370.db2.gz LURVTJPXDVNMFK-HNNXBMFYSA-N 1 0 227.307 3.258 10 0 BGAERO COc1cc(Cl)c([C@H]([NH3+])C2CC2)cc1Cl ZINC000003739342 174989921 /nfs/dbraw/zinc/98/99/21/174989921.db2.gz ZRDYXTUCJSOXEW-LLVKDONJSA-N 1 0 246.137 3.412 10 0 BGAERO CC[NH2+][C@]12CCCC[C@H]1Cc1ccccc12 ZINC000003780776 170170910 /nfs/dbraw/zinc/17/09/10/170170910.db2.gz QWPKWRYYGDVPFN-DZGCQCFKSA-N 1 0 215.340 3.238 10 0 BGAERO C[NH2+][C@]12CCCC[C@@H]1CCc1ccccc12 ZINC000003782924 173470573 /nfs/dbraw/zinc/47/05/73/173470573.db2.gz PKFYGNRBXOMAQD-UKRRQHHQSA-N 1 0 215.340 3.238 10 0 BGAERO C[NH2+][C@]12CCCC[C@@H]1Sc1ccccc12 ZINC000003796718 173470315 /nfs/dbraw/zinc/47/03/15/173470315.db2.gz UJAGPRIPNDJMED-STQMWFEESA-N 1 0 219.353 3.150 10 0 BGAERO CCCC[N@@H+]1CC[C@@H]2c3ccccc3C[C@H]2C1 ZINC000003805467 368882808 /nfs/dbraw/zinc/88/28/08/368882808.db2.gz FLQWELWUFIHCPK-HOCLYGCPSA-N 1 0 229.367 3.448 10 0 BGAERO Cc1c[nH+]c(C2=Cc3ccccc3CC2)cc1N ZINC000003815992 368882339 /nfs/dbraw/zinc/88/23/39/368882339.db2.gz LPXNFVPRKGVHJB-UHFFFAOYSA-N 1 0 236.318 3.459 10 0 BGAERO Nc1cc[nH+]c(C2=Cc3ccccc3CC2)c1 ZINC000003815996 368882838 /nfs/dbraw/zinc/88/28/38/368882838.db2.gz KGFGDIMGKWUXPR-UHFFFAOYSA-N 1 0 222.291 3.151 10 0 BGAERO Cc1cc(N)cc(C2=Cc3ccccc3CC2)[nH+]1 ZINC000003815997 368882820 /nfs/dbraw/zinc/88/28/20/368882820.db2.gz BALMNUYDNZTRGL-UHFFFAOYSA-N 1 0 236.318 3.459 10 0 BGAERO [NH3+]Cc1cccc(C2=Cc3ccccc3CC2)n1 ZINC000003816000 368882973 /nfs/dbraw/zinc/88/29/73/368882973.db2.gz WSQQZIKMMCZPKI-UHFFFAOYSA-N 1 0 236.318 3.027 10 0 BGAERO Clc1cccc(Cl)c1Nc1[nH]cc[nH+]1 ZINC000003820959 180591271 /nfs/dbraw/zinc/59/12/71/180591271.db2.gz JMIQFISPBOHMQG-UHFFFAOYSA-N 1 0 228.082 3.460 10 0 in-vivo BGAERO Cc1ccc(Cl)cc1NC1=[NH+]CCC1 ZINC000003866616 188276043 /nfs/dbraw/zinc/27/60/43/188276043.db2.gz NOGAEBYVZMFZDT-UHFFFAOYSA-N 1 0 208.692 3.253 10 0 BGAERO Brc1cccc(NC2=[NH+]CCC2)c1 ZINC000003866625 166101303 /nfs/dbraw/zinc/10/13/03/166101303.db2.gz MRWSRQAIZISUJL-UHFFFAOYSA-N 1 0 239.116 3.053 10 0 BGAERO COc1ccccc1NC1=[NH+]CCCCC1 ZINC000003866648 175336998 /nfs/dbraw/zinc/33/69/98/175336998.db2.gz ATUOSSHIFTXTGO-UHFFFAOYSA-N 1 0 218.300 3.080 10 0 BGAERO COc1cc(NC2=[NH+]CCCCC2)cc(OC)c1 ZINC000003866661 175001787 /nfs/dbraw/zinc/00/17/87/175001787.db2.gz JMHDAJLUJCEQIF-UHFFFAOYSA-N 1 0 248.326 3.088 10 0 BGAERO CC(=O)Nc1ccc(NC2=[NH+]CCCCC2)cc1 ZINC000003866662 188275952 /nfs/dbraw/zinc/27/59/52/188275952.db2.gz JHFFKMTZWJHKAM-UHFFFAOYSA-N 1 0 245.326 3.029 10 0 BGAERO Cc1ccccc1NC1=[NH+]CCCCC1 ZINC000003866663 179304566 /nfs/dbraw/zinc/30/45/66/179304566.db2.gz GUADJDCDXSVMCE-UHFFFAOYSA-N 1 0 202.301 3.379 10 0 BGAERO C[C@@H]([NH2+]C(C)(C)C)[C@H](O)c1cccc(Cl)c1 ZINC000003869638 384031793 /nfs/dbraw/zinc/03/17/93/384031793.db2.gz NDPTTXIBLSWNSF-SKDRFNHKSA-N 1 0 241.762 3.150 10 0 endogenous,in-man BGAERO C[C@@H]([NH2+]C(C)(C)C)[C@@H](O)c1cccc(Cl)c1 ZINC000003869639 384032132 /nfs/dbraw/zinc/03/21/32/384032132.db2.gz NDPTTXIBLSWNSF-BXKDBHETSA-N 1 0 241.762 3.150 10 0 endogenous,in-man BGAERO C[NH2+][C@H](c1ccccc1)c1ccc(C)cc1 ZINC000003886968 384031979 /nfs/dbraw/zinc/03/19/79/384031979.db2.gz OQMBBIMCXKNXGO-OAHLLOKOSA-N 1 0 211.308 3.304 10 0 BGAERO C[NH2+][C@@H](c1ccccc1)c1ccc(C)cc1 ZINC000003886969 384031931 /nfs/dbraw/zinc/03/19/31/384031931.db2.gz OQMBBIMCXKNXGO-HNNXBMFYSA-N 1 0 211.308 3.304 10 0 BGAERO c1cc([C@@H](C2=[NH+]CCN2)C2CCCCC2)cs1 ZINC000003948382 183361015 /nfs/dbraw/zinc/36/10/15/183361015.db2.gz XHSHPURENAXGEC-ZDUSSCGKSA-N 1 0 248.395 3.414 10 0 BGAERO C[N@@H+]1CC[C@]23CCCC[C@H]2[C@H]1Cc1ccccc13 ZINC000004102210 173168069 /nfs/dbraw/zinc/16/80/69/173168069.db2.gz IHBSVVZENGBQDY-BBWFWOEESA-N 1 0 241.378 3.375 10 0 in-vitro BGAERO CC[NH2+][C@@H]1[C@H]2CC[C@H](C2)[C@H]1c1ccccc1 ZINC000004213251 170155498 /nfs/dbraw/zinc/15/54/98/170155498.db2.gz IKFBPFGUINLYQI-LXTVHRRPSA-N 1 0 215.340 3.178 10 0 BGAERO Clc1ccc2sc([C@@H]3CCC[NH2+]3)nc2c1 ZINC000004219231 180588183 /nfs/dbraw/zinc/58/81/83/180588183.db2.gz IHUAOYSWCDJJOI-QMMMGPOBSA-N 1 0 238.743 3.374 10 0 BGAERO Clc1ccc2sc([C@H]3CCC[NH2+]3)nc2c1 ZINC000004219232 180588194 /nfs/dbraw/zinc/58/81/94/180588194.db2.gz IHUAOYSWCDJJOI-MRVPVSSYSA-N 1 0 238.743 3.374 10 0 BGAERO CCCCCOc1ccc(C[NH3+])cc1OCC ZINC000004227552 372176348 /nfs/dbraw/zinc/17/63/48/372176348.db2.gz UUFJBYITOXVJBJ-UHFFFAOYSA-N 1 0 237.343 3.113 10 0 BGAERO CCCCCCOc1ccc(C[NH3+])cc1OC ZINC000004227560 372175999 /nfs/dbraw/zinc/17/59/99/372175999.db2.gz HXUDKKVCTHDQSK-UHFFFAOYSA-N 1 0 237.343 3.113 10 0 BGAERO C[NH2+][C@@H](C)Cc1csc2ccccc12 ZINC000004234990 384050980 /nfs/dbraw/zinc/05/09/80/384050980.db2.gz JRELNPJJPDZIOV-VIFPVBQESA-N 1 0 205.326 3.052 10 0 BGAERO NC(=[NH2+])SCc1csc2ccccc12 ZINC000004377565 181192534 /nfs/dbraw/zinc/19/25/34/181192534.db2.gz YPTLDTPOJRNPPB-UHFFFAOYSA-N 1 0 222.338 3.028 10 0 BGAERO CCc1ccc2[nH]cc(C[C@H]3CCC[N@@H+]3C)c2c1 ZINC000004393760 342861106 /nfs/dbraw/zinc/86/11/06/342861106.db2.gz XQBUOODGXPTQOQ-CQSZACIVSA-N 1 0 242.366 3.367 10 0 BGAERO Cc1ccc(Cl)cc1N1CCCC1=[NH2+] ZINC000004614532 343634596 /nfs/dbraw/zinc/63/45/96/343634596.db2.gz DMTFJVQSEAFAGE-UHFFFAOYSA-N 1 0 208.692 3.226 10 0 BGAERO C[NH2+][C@H]1Cc2ccccc2N(C)c2ccccc21 ZINC000004626658 384073144 /nfs/dbraw/zinc/07/31/44/384073144.db2.gz YXVZOBVWVRFPTE-AWEZNQCLSA-N 1 0 238.334 3.271 10 0 in-man BGAERO CC[C@@H]1C[N@@H+]2CCC3=C(CCC3)[C@@]2(C)C1 ZINC000004725789 171099723 /nfs/dbraw/zinc/09/97/23/171099723.db2.gz LIKYTYVIFASFSS-SMDDNHRTSA-N 1 0 205.345 3.361 10 0 BGAERO CC[C@@H]1C[N@@H+]2CCC3=C(CCC3)[C@]2(C)C1 ZINC000004725791 171099021 /nfs/dbraw/zinc/09/90/21/171099021.db2.gz LIKYTYVIFASFSS-FZMZJTMJSA-N 1 0 205.345 3.361 10 0 BGAERO c1cc[n+](Cc2cccc3ccccc32)cc1 ZINC000004761447 183378360 /nfs/dbraw/zinc/37/83/60/183378360.db2.gz ATLWKGZBNRCNMN-UHFFFAOYSA-N 1 0 220.295 3.176 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1N)c1sccc1C ZINC000005161426 173425638 /nfs/dbraw/zinc/42/56/38/173425638.db2.gz NYBKYOYUKBCNAB-ZDUSSCGKSA-N 1 0 246.379 3.142 10 0 BGAERO N#[N+]c1ccc(N2CCCC2)c(Cl)c1 ZINC000005161725 187248198 /nfs/dbraw/zinc/24/81/98/187248198.db2.gz PATQPKQAPMLOGZ-UHFFFAOYSA-N 1 0 208.672 3.425 10 0 BGAERO [NH3+][C@H]1CCN(c2ccccc2)c2ccccc21 ZINC000005162426 345257786 /nfs/dbraw/zinc/25/77/86/345257786.db2.gz JDIQRZNUOJQPCT-AWEZNQCLSA-N 1 0 224.307 3.228 10 0 BGAERO [NH3+][C@@H]1CCN(c2ccccc2)c2ccccc21 ZINC000005162427 345258078 /nfs/dbraw/zinc/25/80/78/345258078.db2.gz JDIQRZNUOJQPCT-CQSZACIVSA-N 1 0 224.307 3.228 10 0 BGAERO [NH3+][C@@H]1c2ccccc2CC[C@@H]1Cc1ccco1 ZINC000005184928 345823036 /nfs/dbraw/zinc/82/30/36/345823036.db2.gz BKSHUUFUECTPTH-DOMZBBRYSA-N 1 0 227.307 3.085 10 0 BGAERO [NH3+][C@@H]1c2ccccc2CC[C@H]1Cc1ccco1 ZINC000005184932 345823053 /nfs/dbraw/zinc/82/30/53/345823053.db2.gz BKSHUUFUECTPTH-WFASDCNBSA-N 1 0 227.307 3.085 10 0 BGAERO [NH3+][C@H]1c2ccccc2CC[C@@H]1Cc1ccco1 ZINC000005184938 181661075 /nfs/dbraw/zinc/66/10/75/181661075.db2.gz BKSHUUFUECTPTH-IUODEOHRSA-N 1 0 227.307 3.085 10 0 BGAERO [NH3+][C@H]1c2ccccc2CC[C@H]1Cc1ccco1 ZINC000005184945 345822714 /nfs/dbraw/zinc/82/27/14/345822714.db2.gz BKSHUUFUECTPTH-SWLSCSKDSA-N 1 0 227.307 3.085 10 0 BGAERO C[C@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2 ZINC000005257043 342761006 /nfs/dbraw/zinc/76/10/06/342761006.db2.gz UXDIWHBDPJMNFD-JTQLQIEISA-N 1 0 209.292 3.278 10 0 BGAERO C[C@@H]([NH3+])c1ccc2c(c1)Cc1ccccc1-2 ZINC000005257044 388592556 /nfs/dbraw/zinc/59/25/56/388592556.db2.gz UXDIWHBDPJMNFD-SNVBAGLBSA-N 1 0 209.292 3.278 10 0 BGAERO CC(C)[C@H](Cc1ccccc1)[NH+]1CCCC1 ZINC000005285021 187930032 /nfs/dbraw/zinc/93/00/32/187930032.db2.gz GEMXFVRCAHGRNK-HNNXBMFYSA-N 1 0 217.356 3.350 10 0 BGAERO CC(C)[C@H]([C@@H]1CCCC[C@@H]1O)[NH+]1CCCCC1 ZINC000005285064 188277768 /nfs/dbraw/zinc/27/77/68/188277768.db2.gz AZFPDCKRKSAPBV-QLFBSQMISA-N 1 0 239.403 3.048 10 0 BGAERO CCc1[nH+]n(C)c2cccc3c(OC)ccc1c32 ZINC000005307882 172039581 /nfs/dbraw/zinc/03/95/81/172039581.db2.gz PAAYTTDJWIIGTM-UHFFFAOYSA-N 1 0 240.306 3.298 10 0 BGAERO CCN1CC[C@H]([NH+]2CCCC2)c2ccccc21 ZINC000005312055 132317357 /nfs/dbraw/zinc/31/73/57/132317357.db2.gz CVOROLPQXZNRAX-HNNXBMFYSA-N 1 0 230.355 3.054 10 0 BGAERO CCN1CC[C@@H]([NH+]2CCCC2)c2ccccc21 ZINC000005312072 132317331 /nfs/dbraw/zinc/31/73/31/132317331.db2.gz CVOROLPQXZNRAX-OAHLLOKOSA-N 1 0 230.355 3.054 10 0 BGAERO C[C@@H]1C[C@@H]([NH+]2CCCC2)c2ccccc2N1 ZINC000005330356 176372877 /nfs/dbraw/zinc/37/28/77/176372877.db2.gz RFZKMPGJCSUMSO-BXUZGUMPSA-N 1 0 216.328 3.028 10 0 BGAERO C[C@H]1C[C@H]([NH+]2CCCC2)c2ccccc2N1 ZINC000005330431 177366375 /nfs/dbraw/zinc/36/63/75/177366375.db2.gz RFZKMPGJCSUMSO-FZMZJTMJSA-N 1 0 216.328 3.028 10 0 BGAERO C[C@H]1C[C@@H]([NH+]2CCCC2)c2ccccc2N1 ZINC000005330438 177327186 /nfs/dbraw/zinc/32/71/86/177327186.db2.gz RFZKMPGJCSUMSO-SMDDNHRTSA-N 1 0 216.328 3.028 10 0 BGAERO COc1cccc2c1CCC[C@H]2[NH2+]C(C)C ZINC000005442250 175301469 /nfs/dbraw/zinc/30/14/69/175301469.db2.gz YUSXGZCTJMZLNW-CYBMUJFWSA-N 1 0 219.328 3.071 10 0 BGAERO COc1cccc2c1CCC[C@@H]2[NH2+]C(C)C ZINC000005442267 175301137 /nfs/dbraw/zinc/30/11/37/175301137.db2.gz YUSXGZCTJMZLNW-ZDUSSCGKSA-N 1 0 219.328 3.071 10 0 BGAERO CC1(Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000005482208 168053693 /nfs/dbraw/zinc/05/36/93/168053693.db2.gz OKVMFVCODGZFQS-UHFFFAOYSA-N 1 0 223.747 3.280 10 0 BGAERO CCCCCC1(c2cccc(OC)c2)C[NH+](C)C1 ZINC000005511280 369027474 /nfs/dbraw/zinc/02/74/74/369027474.db2.gz QJFLONLIVRRVHF-UHFFFAOYSA-N 1 0 247.382 3.459 10 0 BGAERO CCC[N@@H+]1CC[C@H]2c3c(cccc3OC)C[C@H]2C1 ZINC000005555056 169208867 /nfs/dbraw/zinc/20/88/67/169208867.db2.gz JUJJKXJJQWYOKH-UONOGXRCSA-N 1 0 245.366 3.067 10 0 BGAERO c1nc2n(c1C13CC4CC(CC(C4)C1)C3)CCC2 ZINC000005613417 346283574 /nfs/dbraw/zinc/28/35/74/346283574.db2.gz LIJWLOKELJKFNC-UHFFFAOYSA-N 1 0 242.366 3.297 10 0 BGAERO CCOc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000005671524 346874057 /nfs/dbraw/zinc/87/40/57/346874057.db2.gz UEMXSPHCEUDCST-UHFFFAOYSA-N 1 0 227.307 3.211 10 0 BGAERO CCc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000005678529 171778771 /nfs/dbraw/zinc/77/87/71/171778771.db2.gz JKMMIRCYMVYMDV-UHFFFAOYSA-N 1 0 211.308 3.375 10 0 BGAERO CCc1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000005678560 171778753 /nfs/dbraw/zinc/77/87/53/171778753.db2.gz VOMRCGLBLNFNGR-UHFFFAOYSA-N 1 0 211.308 3.375 10 0 BGAERO [NH3+]CCCOc1ccccc1-c1ccccc1 ZINC000005685209 181384265 /nfs/dbraw/zinc/38/42/65/181384265.db2.gz LWBJIUNWCWWOBJ-UHFFFAOYSA-N 1 0 227.307 3.081 10 0 BGAERO C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000005699244 342768431 /nfs/dbraw/zinc/76/84/31/342768431.db2.gz NEPOYLVMRQRLAT-UHFFFAOYSA-N 1 0 207.704 3.059 10 0 BGAERO C[C@@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000005706407 388588140 /nfs/dbraw/zinc/58/81/40/388588140.db2.gz VLMZMRDOMOGGFA-WDBKCZKBSA-N 1 0 240.350 3.148 10 0 in-vitro BGAERO C[NH2+]CCc1sccc1-c1ccccc1 ZINC000005719802 173361771 /nfs/dbraw/zinc/36/17/71/173361771.db2.gz RJOGTCDAOJCIRW-UHFFFAOYSA-N 1 0 217.337 3.177 10 0 BGAERO C[C@@H]1CC[N@H+](C)[C@@H]1c1c[nH]c2ccccc21 ZINC000005735719 176166150 /nfs/dbraw/zinc/16/61/50/176166150.db2.gz KNJVUYLBTPVJAU-YGRLFVJLSA-N 1 0 214.312 3.181 10 0 BGAERO C[C@@H]1C[C@@H](c2c[nH]c3ccccc32)[N@H+](C)C1 ZINC000005735920 176383620 /nfs/dbraw/zinc/38/36/20/176383620.db2.gz CPVLDFVZMUZGDD-YGRLFVJLSA-N 1 0 214.312 3.181 10 0 BGAERO COc1cccc([C@]23C[C@H](CCC2)[N@H+](C)[C@@H]3C)c1 ZINC000005736079 175292026 /nfs/dbraw/zinc/29/20/26/175292026.db2.gz ABGHQNTZMBFYIR-INWMFGNUSA-N 1 0 245.366 3.210 10 0 BGAERO C[C@H]1CC[N@H+](C)[C@@H]1c1c[nH]c2ccccc12 ZINC000005751997 177157654 /nfs/dbraw/zinc/15/76/54/177157654.db2.gz KNJVUYLBTPVJAU-HZMBPMFUSA-N 1 0 214.312 3.181 10 0 BGAERO C[C@H]1C[C@H](c2c[nH]c3ccccc23)[N@H+](C)C1 ZINC000005752124 177374908 /nfs/dbraw/zinc/37/49/08/177374908.db2.gz CPVLDFVZMUZGDD-IINYFYTJSA-N 1 0 214.312 3.181 10 0 BGAERO COc1cccc([C@]23C[C@H](CCC2)[N@H+](C)[C@H]3C)c1 ZINC000005752296 350010250 /nfs/dbraw/zinc/01/02/50/350010250.db2.gz ABGHQNTZMBFYIR-NOLJZWGESA-N 1 0 245.366 3.210 10 0 BGAERO [NH3+]Cc1cccc(-c2cccc(Cl)c2)c1 ZINC000005763251 398046419 /nfs/dbraw/zinc/04/64/19/398046419.db2.gz UXQBWKWQAXWLJG-UHFFFAOYSA-N 1 0 217.699 3.466 10 0 BGAERO [NH3+]Cc1ccccc1-c1cccc(Cl)c1 ZINC000005764203 346627193 /nfs/dbraw/zinc/62/71/93/346627193.db2.gz ZBGKOQLROXQDEJ-UHFFFAOYSA-N 1 0 217.699 3.466 10 0 BGAERO [NH3+]Cc1ccccc1-c1ccccc1Cl ZINC000005764214 349275144 /nfs/dbraw/zinc/27/51/44/349275144.db2.gz CQHFRBPHEMVDPT-UHFFFAOYSA-N 1 0 217.699 3.466 10 0 in-vivo BGAERO C[NH+](C)CC[C@]1(C)CCCc2ccccc21 ZINC000005764288 172476030 /nfs/dbraw/zinc/47/60/30/172476030.db2.gz OOZSIAZIQVDPQB-HNNXBMFYSA-N 1 0 217.356 3.232 10 0 BGAERO C[NH2+]C[C@@H]1C2CCC(CC2)[C@@H]1c1ccccc1 ZINC000005764883 173367275 /nfs/dbraw/zinc/36/72/75/173367275.db2.gz UJWZWFZELVZHTK-GDVJOBBMSA-N 1 0 229.367 3.426 10 0 BGAERO CC1=C(c2ccc(O)cc2)C[N@@H+]2CCC[C@@H]2C1 ZINC000005766427 168087557 /nfs/dbraw/zinc/08/75/57/168087557.db2.gz CVQQRWWNQONTMX-CYBMUJFWSA-N 1 0 229.323 3.034 10 0 BGAERO CC1=C(c2ccc(O)cc2)C[N@@H+]2CCC[C@H]2C1 ZINC000005766428 168088227 /nfs/dbraw/zinc/08/82/27/168088227.db2.gz CVQQRWWNQONTMX-ZDUSSCGKSA-N 1 0 229.323 3.034 10 0 BGAERO Cc1ccc2[nH]cc([C@@H]3CCC[N@H+]3C)c2c1 ZINC000005782118 369030415 /nfs/dbraw/zinc/03/04/15/369030415.db2.gz SMMNJQNEWMPPDF-AWEZNQCLSA-N 1 0 214.312 3.243 10 0 BGAERO Cc1ccc2[nH]cc([C@H]3CCC[N@H+]3C)c2c1 ZINC000005782123 369029674 /nfs/dbraw/zinc/02/96/74/369029674.db2.gz SMMNJQNEWMPPDF-CQSZACIVSA-N 1 0 214.312 3.243 10 0 BGAERO CCCC[n+]1ccc(C)c2ccccc21 ZINC000005831706 187241758 /nfs/dbraw/zinc/24/17/58/187241758.db2.gz XLUPKCSSOSULSX-UHFFFAOYSA-N 1 0 200.305 3.236 10 0 BGAERO CCC[NH+](CCC)[C@@H]1CCc2c(O)cccc2C1 ZINC000005832993 169149911 /nfs/dbraw/zinc/14/99/11/169149911.db2.gz MDBWEQVKJDMEMK-CQSZACIVSA-N 1 0 247.382 3.372 10 0 in-vivo BGAERO CCC[NH+](CCC)[C@@H]1CCc2cc(O)ccc2C1 ZINC000005833005 169151415 /nfs/dbraw/zinc/15/14/15/169151415.db2.gz GJLQYNALOOKSLR-OAHLLOKOSA-N 1 0 247.382 3.372 10 0 BGAERO CCC[NH+](CCC)[C@H]1CCc2c(O)cccc2C1 ZINC000005833082 169152299 /nfs/dbraw/zinc/15/22/99/169152299.db2.gz MDBWEQVKJDMEMK-AWEZNQCLSA-N 1 0 247.382 3.372 10 0 in-vivo BGAERO CCC[NH+](CCC)[C@H]1CCc2cc(O)ccc2C1 ZINC000005833112 169152367 /nfs/dbraw/zinc/15/23/67/169152367.db2.gz GJLQYNALOOKSLR-HNNXBMFYSA-N 1 0 247.382 3.372 10 0 BGAERO CCC[N@H+]1CC=C(c2ccccc2)CC1 ZINC000005833721 169185046 /nfs/dbraw/zinc/18/50/46/169185046.db2.gz CKRLIWFOVCLXTP-UHFFFAOYSA-N 1 0 201.313 3.186 10 0 BGAERO CCC[N@@H+]1CCC[C@H](c2cccc(F)c2)C1 ZINC000005833752 169198809 /nfs/dbraw/zinc/19/88/09/169198809.db2.gz ZEDMIQRQBPLMQU-ZDUSSCGKSA-N 1 0 221.319 3.415 10 0 BGAERO CCC[N@@H+]1CCC[C@H]2c3cccc(O)c3CC[C@@H]21 ZINC000005833784 169201828 /nfs/dbraw/zinc/20/18/28/169201828.db2.gz ANYSYRVXKLTFPB-ZFWWWQNUSA-N 1 0 245.366 3.296 10 0 BGAERO CCC[N@@H+]1CCC[C@@H](c2cccc(F)c2)C1 ZINC000005833838 169194786 /nfs/dbraw/zinc/19/47/86/169194786.db2.gz ZEDMIQRQBPLMQU-CYBMUJFWSA-N 1 0 221.319 3.415 10 0 BGAERO CCC[N@@H+]1CCC[C@@H]2c3cccc(O)c3CC[C@@H]21 ZINC000005833860 169198834 /nfs/dbraw/zinc/19/88/34/169198834.db2.gz ANYSYRVXKLTFPB-HIFRSBDPSA-N 1 0 245.366 3.296 10 0 BGAERO CC[NH+](CC)CC(C)(C)C(=O)c1ccccc1 ZINC000005846443 169769353 /nfs/dbraw/zinc/76/93/53/169769353.db2.gz MVQACGNSUTVUSE-UHFFFAOYSA-N 1 0 233.355 3.237 10 0 BGAERO CCOP(C)OCC[NH+](C(C)C)C(C)C ZINC000005862216 342770755 /nfs/dbraw/zinc/77/07/55/342770755.db2.gz OIQVKKOBTVZIFE-UHFFFAOYSA-N 1 0 235.308 3.100 10 0 BGAERO CC[n+]1ccc(C)c2ccc(Cl)cc21 ZINC000005955905 187241832 /nfs/dbraw/zinc/24/18/32/187241832.db2.gz OPASPQVQNDVXFR-UHFFFAOYSA-N 1 0 206.696 3.109 10 0 BGAERO CC[n+]1ccc(Sc2ccccc2)cc1 ZINC000005955910 188096706 /nfs/dbraw/zinc/09/67/06/188096706.db2.gz PXZBWGXEGKPHJX-UHFFFAOYSA-N 1 0 216.329 3.145 10 0 BGAERO CCc1c2cc(C)ccc2[nH]c1CC[NH+](C)C ZINC000005956097 359663231 /nfs/dbraw/zinc/66/32/31/359663231.db2.gz SXFIFTIAFXENDP-UHFFFAOYSA-N 1 0 230.355 3.143 10 0 BGAERO C[NH+](C)[C@H]1C=C(c2ccccc2)CCC1 ZINC000005965136 384141111 /nfs/dbraw/zinc/14/11/11/384141111.db2.gz VFQMBYBRDMRYEG-CQSZACIVSA-N 1 0 201.313 3.184 10 0 BGAERO C[NH+](C)[C@@H]1C=C(c2ccccc2)CCC1 ZINC000005965194 384141396 /nfs/dbraw/zinc/14/13/96/384141396.db2.gz VFQMBYBRDMRYEG-AWEZNQCLSA-N 1 0 201.313 3.184 10 0 BGAERO C[N@@H+]1CCc2c(Cl)ccc3c2[C@H](CCC3)C1 ZINC000005966795 173168630 /nfs/dbraw/zinc/16/86/30/173168630.db2.gz KELNXILYABMXFF-LLVKDONJSA-N 1 0 235.758 3.248 10 0 in-vitro BGAERO C[N@@H+]1CCc2cccc3c2[C@@H]1Cc1ccccc1-3 ZINC000005966962 173171456 /nfs/dbraw/zinc/17/14/56/173171456.db2.gz BZKUYNBAFQJRDM-INIZCTEOSA-N 1 0 235.330 3.439 10 0 in-vitro BGAERO Cc1cc2ccccc2nc1SCC[NH+](C)C ZINC000005986735 178298267 /nfs/dbraw/zinc/29/82/67/178298267.db2.gz CAPOXPJGJJPSJI-UHFFFAOYSA-N 1 0 246.379 3.197 10 0 BGAERO C[NH2+]C(Cc1ccccc1)Cc1ccccc1 ZINC000005996271 173321340 /nfs/dbraw/zinc/32/13/40/173321340.db2.gz HHBBJSPPGKHKHX-UHFFFAOYSA-N 1 0 225.335 3.060 10 0 BGAERO COc1ccc([C@H]2CC[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000006018429 342772793 /nfs/dbraw/zinc/77/27/93/342772793.db2.gz UEAIXQVDCJCSDU-GJZGRUSLSA-N 1 0 245.366 3.427 10 0 BGAERO COc1ccc([C@H]2CC[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000006018432 342772865 /nfs/dbraw/zinc/77/28/65/342772865.db2.gz UEAIXQVDCJCSDU-LSDHHAIUSA-N 1 0 245.366 3.427 10 0 BGAERO COc1cccc([C@H]2CC[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000006019076 342772604 /nfs/dbraw/zinc/77/26/04/342772604.db2.gz HNVOLBCVHXBBRP-GJZGRUSLSA-N 1 0 245.366 3.427 10 0 BGAERO COc1cccc([C@H]2CC[C@H]3CCCC[N@@H+]3C2)c1 ZINC000006019080 342772894 /nfs/dbraw/zinc/77/28/94/342772894.db2.gz HNVOLBCVHXBBRP-LSDHHAIUSA-N 1 0 245.366 3.427 10 0 BGAERO COc1ccccc1[C@@H]1CC[C@@H]2CCCC[N@@H+]2C1 ZINC000006019324 175348150 /nfs/dbraw/zinc/34/81/50/175348150.db2.gz XEAVLJLNCQZBQI-KGLIPLIRSA-N 1 0 245.366 3.427 10 0 BGAERO COc1ccccc1[C@@H]1CC[C@H]2CCCC[N@@H+]2C1 ZINC000006019327 175348362 /nfs/dbraw/zinc/34/83/62/175348362.db2.gz XEAVLJLNCQZBQI-ZIAGYGMSSA-N 1 0 245.366 3.427 10 0 BGAERO COc1ccccc1[C@H]1CC[C@@H]2CCCC[N@@H+]2C1 ZINC000006019333 175355237 /nfs/dbraw/zinc/35/52/37/175355237.db2.gz XEAVLJLNCQZBQI-KBPBESRZSA-N 1 0 245.366 3.427 10 0 BGAERO COc1ccccc1[C@H]1CC[C@H]2CCCC[N@@H+]2C1 ZINC000006019335 175355081 /nfs/dbraw/zinc/35/50/81/175355081.db2.gz XEAVLJLNCQZBQI-UONOGXRCSA-N 1 0 245.366 3.427 10 0 BGAERO C[C@H]([NH2+]C(C)(C)C)C(=O)c1c[nH]c2ccccc21 ZINC000006020265 384143373 /nfs/dbraw/zinc/14/33/73/384143373.db2.gz FDKZRRNAMSHPEL-JTQLQIEISA-N 1 0 244.338 3.127 10 0 BGAERO C[C@H]([NH3+])C1CCC(c2ccccc2)CC1 ZINC000006020328 342772645 /nfs/dbraw/zinc/77/26/45/342772645.db2.gz DZWRYOJSAWKQIK-DCBWTQNWSA-N 1 0 203.329 3.308 10 0 BGAERO C[NH2+][C@@H](C)CSc1ccc(Cl)cc1 ZINC000006020924 384141779 /nfs/dbraw/zinc/14/17/79/384141779.db2.gz NGVVHYLELXAOEA-QMMMGPOBSA-N 1 0 215.749 3.040 10 0 BGAERO C[C@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000006021006 346635026 /nfs/dbraw/zinc/63/50/26/346635026.db2.gz ZDZASCUBDMUTSR-ZDUSSCGKSA-N 1 0 241.334 3.155 10 0 in-vivo BGAERO CC1=C(c2ccccc2)C[C@@H](C)[N@@H+](C)C1 ZINC000006030613 168088387 /nfs/dbraw/zinc/08/83/87/168088387.db2.gz OHNXOCMCFVBRKE-GFCCVEGCSA-N 1 0 201.313 3.184 10 0 BGAERO C[C@@H]1CC[N@H+](CC2CC2)CCc2ccc(O)cc21 ZINC000006030931 176168718 /nfs/dbraw/zinc/16/87/18/176168718.db2.gz KXELLSSTRSGFIW-GFCCVEGCSA-N 1 0 245.366 3.154 10 0 BGAERO C[C@@H]1C=C(c2ccccc2)[C@H](C)C[N@@H+]1C ZINC000006031231 369030963 /nfs/dbraw/zinc/03/09/63/369030963.db2.gz ICKUZMOQPGDNPT-VXGBXAGGSA-N 1 0 201.313 3.040 10 0 BGAERO C[C@@H]([NH2+]C(C)(C)C)C(=O)c1c[nH]c2ccccc21 ZINC000006035986 384141537 /nfs/dbraw/zinc/14/15/37/384141537.db2.gz FDKZRRNAMSHPEL-SNVBAGLBSA-N 1 0 244.338 3.127 10 0 BGAERO C[C@@H]([NH3+])C1CCC(c2ccccc2)CC1 ZINC000006036058 384143003 /nfs/dbraw/zinc/14/30/03/384143003.db2.gz DZWRYOJSAWKQIK-LKSINWNRSA-N 1 0 203.329 3.308 10 0 BGAERO C[NH2+][C@H](C)CSc1ccc(Cl)cc1 ZINC000006036742 384142224 /nfs/dbraw/zinc/14/22/24/384142224.db2.gz NGVVHYLELXAOEA-MRVPVSSYSA-N 1 0 215.749 3.040 10 0 BGAERO C[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000006036822 398281030 /nfs/dbraw/zinc/28/10/30/398281030.db2.gz ZDZASCUBDMUTSR-CYBMUJFWSA-N 1 0 241.334 3.155 10 0 in-vivo BGAERO CC1=C(c2ccccc2)C[C@H](C)[N@@H+](C)C1 ZINC000006037328 168087885 /nfs/dbraw/zinc/08/78/85/168087885.db2.gz OHNXOCMCFVBRKE-LBPRGKRZSA-N 1 0 201.313 3.184 10 0 BGAERO C[C@H]1CC[N@H+](CC2CC2)CCc2ccc(O)cc21 ZINC000006037598 177158146 /nfs/dbraw/zinc/15/81/46/177158146.db2.gz KXELLSSTRSGFIW-LBPRGKRZSA-N 1 0 245.366 3.154 10 0 BGAERO C[C@H]1C[N@H+](C)[C@H](C)C=C1c1ccccc1 ZINC000006037841 350086567 /nfs/dbraw/zinc/08/65/67/350086567.db2.gz ICKUZMOQPGDNPT-NWDGAFQWSA-N 1 0 201.313 3.040 10 0 BGAERO C[C@H]1[C@H]2CCC[C@]1(c1cccc(O)c1)CC[N@@H+]2C ZINC000006067070 398280948 /nfs/dbraw/zinc/28/09/48/398280948.db2.gz JBSRPCWYMOJXAM-MAZHCROVSA-N 1 0 245.366 3.154 10 0 BGAERO Oc1ccc([C@@H]2CC[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000006093212 188269409 /nfs/dbraw/zinc/26/94/09/188269409.db2.gz ZMIYMHWGEDOPAJ-KGLIPLIRSA-N 1 0 231.339 3.124 10 0 BGAERO Oc1ccc([C@@H]2CC[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000006093213 188269135 /nfs/dbraw/zinc/26/91/35/188269135.db2.gz ZMIYMHWGEDOPAJ-ZIAGYGMSSA-N 1 0 231.339 3.124 10 0 BGAERO Oc1ccc([C@H]2CC[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000006093282 183278518 /nfs/dbraw/zinc/27/85/18/183278518.db2.gz ZMIYMHWGEDOPAJ-KBPBESRZSA-N 1 0 231.339 3.124 10 0 BGAERO Oc1ccc([C@H]2CC[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000006093283 183278745 /nfs/dbraw/zinc/27/87/45/183278745.db2.gz ZMIYMHWGEDOPAJ-UONOGXRCSA-N 1 0 231.339 3.124 10 0 BGAERO c1ccc([C@H]2CC[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000006116465 369031475 /nfs/dbraw/zinc/03/14/75/369031475.db2.gz AKRZYNWILFKKNM-GJZGRUSLSA-N 1 0 215.340 3.419 10 0 BGAERO c1ccc([C@H]2CC[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000006116467 369031380 /nfs/dbraw/zinc/03/13/80/369031380.db2.gz AKRZYNWILFKKNM-LSDHHAIUSA-N 1 0 215.340 3.419 10 0 BGAERO c1ccc([C@@]2([NH+]3CCCCC3)CCCOC2)cc1 ZINC000006116543 183429724 /nfs/dbraw/zinc/42/97/24/183429724.db2.gz QBDUXDBTMDXVBZ-MRXNPFEDSA-N 1 0 245.366 3.178 10 0 BGAERO C(SCc1c[nH]c2ccccc12)=[N+]1CCCC1 ZINC000006117661 187242455 /nfs/dbraw/zinc/24/24/55/187242455.db2.gz GEMNBPZBOVLTQN-UHFFFAOYSA-N 1 0 245.371 3.236 10 0 BGAERO CC(=[NH2+])NCc1c(Cl)cccc1Cl ZINC000006157513 356453755 /nfs/dbraw/zinc/45/37/55/356453755.db2.gz OIMFYBBBEJWENX-UHFFFAOYSA-N 1 0 217.099 3.080 10 0 BGAERO Cc1ccc(C[n+]2ccc3ccccc3c2)cc1 ZINC000006212049 187758651 /nfs/dbraw/zinc/75/86/51/187758651.db2.gz HQEMANXGBIKTAO-UHFFFAOYSA-N 1 0 234.322 3.484 10 0 BGAERO CCC[N@@H+]1Cc2cccc3[nH]cc(c32)C[C@@H]1C ZINC000006380272 169211191 /nfs/dbraw/zinc/21/11/91/169211191.db2.gz JUUWHTWSYWGMDK-NSHDSACASA-N 1 0 228.339 3.325 10 0 BGAERO CCC[N@@H+]1Cc2cccc3[nH]cc(c32)C[C@H]1C ZINC000006380274 169211886 /nfs/dbraw/zinc/21/18/86/169211886.db2.gz JUUWHTWSYWGMDK-LLVKDONJSA-N 1 0 228.339 3.325 10 0 BGAERO CC[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006385337 170126998 /nfs/dbraw/zinc/12/69/98/170126998.db2.gz JWVORZCVWHSYAE-UHFFFAOYSA-N 1 0 237.652 3.468 10 0 BGAERO c1cnc2cccc([C@@H]3CCCCC[NH2+]3)c2c1 ZINC000006392051 183360736 /nfs/dbraw/zinc/36/07/36/183360736.db2.gz PTAQRCYCWKOIAX-AWEZNQCLSA-N 1 0 226.323 3.440 10 0 BGAERO c1cnc2cccc([C@H]3CCCCC[NH2+]3)c2c1 ZINC000006392052 183362859 /nfs/dbraw/zinc/36/28/59/183362859.db2.gz PTAQRCYCWKOIAX-CQSZACIVSA-N 1 0 226.323 3.440 10 0 BGAERO C[NH2+]Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000006481830 187475031 /nfs/dbraw/zinc/47/50/31/187475031.db2.gz SETNVKKNIIJSDA-UHFFFAOYSA-N 1 0 223.625 3.078 10 0 BGAERO C[C@@H]1C[NH2+]CCc2c(Cl)cc(Cl)cc21 ZINC000006733454 176329099 /nfs/dbraw/zinc/32/90/99/176329099.db2.gz LVDZEHWRCDOGFA-SSDOTTSWSA-N 1 0 230.138 3.243 10 0 BGAERO C[C@@H]1C[NH2+]CCc2ccc(Cl)c(Cl)c21 ZINC000006733457 176328947 /nfs/dbraw/zinc/32/89/47/176328947.db2.gz VUYGFWKOVMRUIC-SSDOTTSWSA-N 1 0 230.138 3.243 10 0 BGAERO CCn1c(C)c(C2=CC[NH2+]CC2)c2ccccc21 ZINC000006737431 172135171 /nfs/dbraw/zinc/13/51/71/172135171.db2.gz QJGVXMPISWMQSI-UHFFFAOYSA-N 1 0 240.350 3.346 10 0 BGAERO C[C@@H](c1nc2ccccc2[nH]1)[NH+]1CCCCC1 ZINC000006745974 176039803 /nfs/dbraw/zinc/03/98/03/176039803.db2.gz DRCDQPLZUKQEEJ-NSHDSACASA-N 1 0 229.327 3.110 10 0 BGAERO C[C@H](c1nc2ccccc2[nH]1)[NH+]1CCCCC1 ZINC000006745979 177054359 /nfs/dbraw/zinc/05/43/59/177054359.db2.gz DRCDQPLZUKQEEJ-LLVKDONJSA-N 1 0 229.327 3.110 10 0 BGAERO Cc1cccc(C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000006780128 179105964 /nfs/dbraw/zinc/10/59/64/179105964.db2.gz VUJDIPFPNINEGE-ZIAGYGMSSA-N 1 0 203.329 3.055 10 0 BGAERO CC(C)[NH+](CCn1cnc2ccccc21)C(C)C ZINC000006858919 361006218 /nfs/dbraw/zinc/00/62/18/361006218.db2.gz HFOCEGKZSHWPHM-UHFFFAOYSA-N 1 0 245.370 3.155 10 0 BGAERO [NH3+]CCC=C(c1ccccc1)c1ccccc1 ZINC000006927242 342786246 /nfs/dbraw/zinc/78/62/46/342786246.db2.gz LXOFBDVFIUUFNZ-UHFFFAOYSA-N 1 0 223.319 3.467 10 0 BGAERO [NH3+]C1c2ccccc2Sc2ccccc21 ZINC000006928037 181345911 /nfs/dbraw/zinc/34/59/11/181345911.db2.gz FUPGDZJIVQYSDA-UHFFFAOYSA-N 1 0 213.305 3.199 10 0 BGAERO [NH3+][C@H]1Cc2ccccc2Sc2ccccc21 ZINC000006930380 181659943 /nfs/dbraw/zinc/65/99/43/181659943.db2.gz SBZYZIJCTHGRQU-LBPRGKRZSA-N 1 0 227.332 3.394 10 0 BGAERO [NH3+][C@@H]1Cc2ccccc2Sc2ccccc21 ZINC000006930800 346656101 /nfs/dbraw/zinc/65/61/01/346656101.db2.gz SBZYZIJCTHGRQU-GFCCVEGCSA-N 1 0 227.332 3.394 10 0 BGAERO Cc1cc(C)n(-c2cc(C)[nH+]c3ccccc32)n1 ZINC000008409861 342798912 /nfs/dbraw/zinc/79/89/12/342798912.db2.gz VCFPZSRYEAYVNR-UHFFFAOYSA-N 1 0 237.306 3.346 10 0 BGAERO C[C@@H]1Cc2ccccc2N1c1cc[nH+]cc1 ZINC000008652066 384207443 /nfs/dbraw/zinc/20/74/43/384207443.db2.gz QYKSRNQOKWURKE-LLVKDONJSA-N 1 0 210.280 3.164 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000009245922 175191339 /nfs/dbraw/zinc/19/13/39/175191339.db2.gz HMAVDLVEEINRRG-CQSZACIVSA-N 1 0 219.328 3.275 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)cc1 ZINC000009245923 175179185 /nfs/dbraw/zinc/17/91/85/175179185.db2.gz HMAVDLVEEINRRG-AWEZNQCLSA-N 1 0 219.328 3.275 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCC2)cc1C ZINC000009245928 175190780 /nfs/dbraw/zinc/19/07/80/175190780.db2.gz OIRGWXXHSYRYDW-CQSZACIVSA-N 1 0 219.328 3.194 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCC2)cc1C ZINC000009245929 175179474 /nfs/dbraw/zinc/17/94/74/175179474.db2.gz OIRGWXXHSYRYDW-AWEZNQCLSA-N 1 0 219.328 3.194 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCCC2)cc1F ZINC000009245934 175191058 /nfs/dbraw/zinc/19/10/58/175191058.db2.gz JVAZYSXBWGESHH-CQSZACIVSA-N 1 0 237.318 3.414 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)cc1F ZINC000009245935 175179039 /nfs/dbraw/zinc/17/90/39/175179039.db2.gz JVAZYSXBWGESHH-AWEZNQCLSA-N 1 0 237.318 3.414 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCC2)cc1F ZINC000009245936 175190667 /nfs/dbraw/zinc/19/06/67/175190667.db2.gz GFSLOEYQGLXQTF-CYBMUJFWSA-N 1 0 223.291 3.024 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCC2)cc1F ZINC000009245937 175179419 /nfs/dbraw/zinc/17/94/19/175179419.db2.gz GFSLOEYQGLXQTF-ZDUSSCGKSA-N 1 0 223.291 3.024 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCCC2)cc1OC ZINC000009245942 175191319 /nfs/dbraw/zinc/19/13/19/175191319.db2.gz AONBOYHRJCCIFP-OAHLLOKOSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)cc1OC ZINC000009245943 175179201 /nfs/dbraw/zinc/17/92/01/175179201.db2.gz AONBOYHRJCCIFP-HNNXBMFYSA-N 1 0 249.354 3.284 10 0 BGAERO [NH3+]Cc1cc(-c2ccccc2)nc2ccccc12 ZINC000009280200 181474413 /nfs/dbraw/zinc/47/44/13/181474413.db2.gz SNVJXOPCVUXGAO-UHFFFAOYSA-N 1 0 234.302 3.361 10 0 BGAERO Cc1cccc(-c2nc([C@@H](C)[NH3+])cs2)c1 ZINC000011568384 343008860 /nfs/dbraw/zinc/00/88/60/343008860.db2.gz HNKCCQTZEHHUSR-SECBINFHSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1cccc(-c2nc([C@H](C)[NH3+])cs2)c1 ZINC000011568385 343008974 /nfs/dbraw/zinc/00/89/74/343008974.db2.gz HNKCCQTZEHHUSR-VIFPVBQESA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])cs2)cc1 ZINC000011568386 178335347 /nfs/dbraw/zinc/33/53/47/178335347.db2.gz OVFPRXNFIJWKPC-SECBINFHSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccc(-c2nc([C@H](C)[NH3+])cs2)cc1 ZINC000011568387 178336752 /nfs/dbraw/zinc/33/67/52/178336752.db2.gz OVFPRXNFIJWKPC-VIFPVBQESA-N 1 0 218.325 3.138 10 0 BGAERO C[C@@H]([NH3+])c1csc(-c2ccc(Cl)cc2)n1 ZINC000011568390 384658566 /nfs/dbraw/zinc/65/85/66/384658566.db2.gz MRKUBYGNCHUSPD-SSDOTTSWSA-N 1 0 238.743 3.483 10 0 BGAERO C[C@H]([NH3+])c1csc(-c2ccc(Cl)cc2)n1 ZINC000011568391 343008137 /nfs/dbraw/zinc/00/81/37/343008137.db2.gz MRKUBYGNCHUSPD-ZETCQYMHSA-N 1 0 238.743 3.483 10 0 BGAERO Cc1ccc(OCCC[NH3+])c(C(C)(C)C)c1 ZINC000011569629 187249933 /nfs/dbraw/zinc/24/99/33/187249933.db2.gz QMZVDLVANVZWAF-UHFFFAOYSA-N 1 0 221.344 3.020 10 0 BGAERO CCC(C)(C)c1ccc(OCCC[NH3+])cc1 ZINC000011569630 168305996 /nfs/dbraw/zinc/30/59/96/168305996.db2.gz JPUVFHOSWILVDK-UHFFFAOYSA-N 1 0 221.344 3.102 10 0 BGAERO [NH3+]CCCOc1ccc(-c2ccccc2)cc1 ZINC000011569631 181384669 /nfs/dbraw/zinc/38/46/69/181384669.db2.gz CQGJDMNZTKVEOZ-UHFFFAOYSA-N 1 0 227.307 3.081 10 0 BGAERO Cc1ccc(-c2ccc(OCCC[NH3+])cc2)cc1 ZINC000011569635 178325608 /nfs/dbraw/zinc/32/56/08/178325608.db2.gz NNQSKJKORMVVTP-UHFFFAOYSA-N 1 0 241.334 3.390 10 0 BGAERO [NH3+]CCCOc1ccc(Oc2ccccc2)cc1 ZINC000011569636 181384769 /nfs/dbraw/zinc/38/47/69/181384769.db2.gz JCAVFTCNMOIOBS-UHFFFAOYSA-N 1 0 243.306 3.207 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCc1ccccc1N ZINC000011570470 176115844 /nfs/dbraw/zinc/11/58/44/176115844.db2.gz SJZNQPMLJXOOKV-CHWSQXEVSA-N 1 0 232.371 3.074 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCc1ccccc1N ZINC000011570472 177117523 /nfs/dbraw/zinc/11/75/23/177117523.db2.gz SJZNQPMLJXOOKV-BETUJISGSA-N 1 0 232.371 3.074 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1CCc1ccccc1N ZINC000011570473 177130936 /nfs/dbraw/zinc/13/09/36/177130936.db2.gz SJZNQPMLJXOOKV-STQMWFEESA-N 1 0 232.371 3.074 10 0 BGAERO [NH3+]C[C@H](Cc1cccs1)c1ccccc1 ZINC000011587938 181445034 /nfs/dbraw/zinc/44/50/34/181445034.db2.gz ABPXXWXIZRQCLF-LBPRGKRZSA-N 1 0 217.337 3.033 10 0 BGAERO Cc1ccccc1C[C@@H](C[NH3+])c1ccccc1 ZINC000011587939 179289930 /nfs/dbraw/zinc/28/99/30/179289930.db2.gz WDVWJDVYQKGHJF-INIZCTEOSA-N 1 0 225.335 3.280 10 0 BGAERO Cc1ccccc1C[C@H](C[NH3+])c1ccccc1 ZINC000011587940 179291992 /nfs/dbraw/zinc/29/19/92/179291992.db2.gz WDVWJDVYQKGHJF-MRXNPFEDSA-N 1 0 225.335 3.280 10 0 BGAERO Cc1cccc(C[C@@H](C[NH3+])c2ccccc2)c1 ZINC000011587941 187249208 /nfs/dbraw/zinc/24/92/08/187249208.db2.gz LCJUGQBJLGYMTE-INIZCTEOSA-N 1 0 225.335 3.280 10 0 BGAERO Cc1cccc(C[C@H](C[NH3+])c2ccccc2)c1 ZINC000011587942 179105604 /nfs/dbraw/zinc/10/56/04/179105604.db2.gz LCJUGQBJLGYMTE-MRXNPFEDSA-N 1 0 225.335 3.280 10 0 BGAERO Cc1ccc(C[C@H](C[NH3+])c2ccccc2)cc1 ZINC000011587944 178651491 /nfs/dbraw/zinc/65/14/91/178651491.db2.gz HVYOOLCINSJIFB-MRXNPFEDSA-N 1 0 225.335 3.280 10 0 BGAERO [NH3+]C[C@@H](Cc1cccs1)c1ccccc1F ZINC000011587980 181419520 /nfs/dbraw/zinc/41/95/20/181419520.db2.gz NOYBGGOFDRAWTK-SNVBAGLBSA-N 1 0 235.327 3.172 10 0 BGAERO Cc1ccccc1C[C@@H](C[NH3+])c1ccccc1F ZINC000011587984 179290199 /nfs/dbraw/zinc/29/01/99/179290199.db2.gz HAAAUWIAAVIKQY-AWEZNQCLSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccccc1C[C@H](C[NH3+])c1ccccc1F ZINC000011587985 179292395 /nfs/dbraw/zinc/29/23/95/179292395.db2.gz HAAAUWIAAVIKQY-CQSZACIVSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc(C[C@H](C[NH3+])c2ccccc2F)c1 ZINC000011587987 179106186 /nfs/dbraw/zinc/10/61/86/179106186.db2.gz UKDXSQAOQPYPGL-CQSZACIVSA-N 1 0 243.325 3.419 10 0 BGAERO [NH3+]C[C@@H](Cc1ccccc1F)c1ccccc1F ZINC000011587990 181418397 /nfs/dbraw/zinc/41/83/97/181418397.db2.gz IRLRBKIQGVDGPN-GFCCVEGCSA-N 1 0 247.288 3.250 10 0 BGAERO [NH3+]C[C@H](Cc1ccccc1F)c1ccccc1F ZINC000011587991 181444967 /nfs/dbraw/zinc/44/49/67/181444967.db2.gz IRLRBKIQGVDGPN-LBPRGKRZSA-N 1 0 247.288 3.250 10 0 BGAERO Cc1ccccc1C[C@@H](C[NH3+])c1cccc(F)c1 ZINC000011588034 179290140 /nfs/dbraw/zinc/29/01/40/179290140.db2.gz RZLIANXWXRGRFQ-HNNXBMFYSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccccc1C[C@H](C[NH3+])c1cccc(F)c1 ZINC000011588035 179292411 /nfs/dbraw/zinc/29/24/11/179292411.db2.gz RZLIANXWXRGRFQ-OAHLLOKOSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc(C[C@@H](C[NH3+])c2cccc(F)c2)c1 ZINC000011588036 187249406 /nfs/dbraw/zinc/24/94/06/187249406.db2.gz MSRSUXJGYMQTRQ-HNNXBMFYSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc(C[C@H](C[NH3+])c2cccc(F)c2)c1 ZINC000011588037 179105367 /nfs/dbraw/zinc/10/53/67/179105367.db2.gz MSRSUXJGYMQTRQ-OAHLLOKOSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccc(C[C@@H](C[NH3+])c2cccc(F)c2)cc1 ZINC000011588038 178646571 /nfs/dbraw/zinc/64/65/71/178646571.db2.gz RGOQOEALHVBQGL-HNNXBMFYSA-N 1 0 243.325 3.419 10 0 BGAERO [NH3+]C[C@@H](Cc1cccs1)c1ccc(F)cc1 ZINC000011588080 181419966 /nfs/dbraw/zinc/41/99/66/181419966.db2.gz AAFMXGITUNNEGG-LLVKDONJSA-N 1 0 235.327 3.172 10 0 BGAERO Cc1ccccc1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000011588084 179289545 /nfs/dbraw/zinc/28/95/45/179289545.db2.gz LTBSIKOEQAWRBX-HNNXBMFYSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccccc1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000011588085 179291904 /nfs/dbraw/zinc/29/19/04/179291904.db2.gz LTBSIKOEQAWRBX-OAHLLOKOSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc(C[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000011588086 187414080 /nfs/dbraw/zinc/41/40/80/187414080.db2.gz QAWOANGYYGSFSU-HNNXBMFYSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc(C[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000011588087 179104861 /nfs/dbraw/zinc/10/48/61/179104861.db2.gz QAWOANGYYGSFSU-OAHLLOKOSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Cc1cccs1 ZINC000011588131 179341445 /nfs/dbraw/zinc/34/14/45/179341445.db2.gz PYSHLSURRQBRNY-LBPRGKRZSA-N 1 0 231.364 3.342 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Cc1ccccc1 ZINC000011588133 179341777 /nfs/dbraw/zinc/34/17/77/179341777.db2.gz XWKOQUQUNLQBKP-HNNXBMFYSA-N 1 0 225.335 3.280 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Cc1ccccc1F ZINC000011588140 187931594 /nfs/dbraw/zinc/93/15/94/187931594.db2.gz CMBKGLHGOFLYCO-CQSZACIVSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Cc1ccccc1F ZINC000011588141 179341439 /nfs/dbraw/zinc/34/14/39/179341439.db2.gz CMBKGLHGOFLYCO-AWEZNQCLSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Cc1ccc(F)cc1 ZINC000011588143 179342799 /nfs/dbraw/zinc/34/27/99/179342799.db2.gz QOLDCXYODDLCKG-AWEZNQCLSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Cc2cccs2)c1 ZINC000011588180 179185211 /nfs/dbraw/zinc/18/52/11/179185211.db2.gz RUJAMCSIYBAPKX-CYBMUJFWSA-N 1 0 231.364 3.342 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Cc2cccs2)c1 ZINC000011588181 179199125 /nfs/dbraw/zinc/19/91/25/179199125.db2.gz RUJAMCSIYBAPKX-ZDUSSCGKSA-N 1 0 231.364 3.342 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Cc2ccccc2)c1 ZINC000011588182 179184984 /nfs/dbraw/zinc/18/49/84/179184984.db2.gz PHIMRCPTSWGSOC-MRXNPFEDSA-N 1 0 225.335 3.280 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Cc2ccccc2)c1 ZINC000011588183 179198376 /nfs/dbraw/zinc/19/83/76/179198376.db2.gz PHIMRCPTSWGSOC-INIZCTEOSA-N 1 0 225.335 3.280 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Cc2ccccc2F)c1 ZINC000011588190 179185474 /nfs/dbraw/zinc/18/54/74/179185474.db2.gz ZSURPWOMSRSJOP-OAHLLOKOSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Cc2ccccc2F)c1 ZINC000011588191 179198635 /nfs/dbraw/zinc/19/86/35/179198635.db2.gz ZSURPWOMSRSJOP-HNNXBMFYSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Cc2ccc(F)cc2)c1 ZINC000011588192 179185457 /nfs/dbraw/zinc/18/54/57/179185457.db2.gz FXIUEJBOPOVQGX-OAHLLOKOSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Cc2ccc(F)cc2)c1 ZINC000011588193 179198394 /nfs/dbraw/zinc/19/83/94/179198394.db2.gz FXIUEJBOPOVQGX-HNNXBMFYSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccc([C@H](C[NH3+])Cc2cccs2)cc1 ZINC000011588231 178903670 /nfs/dbraw/zinc/90/36/70/178903670.db2.gz QLJPZXAERHDOSK-ZDUSSCGKSA-N 1 0 231.364 3.342 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Cc2ccccc2)cc1 ZINC000011588232 178854086 /nfs/dbraw/zinc/85/40/86/178854086.db2.gz CDARDZWCYCGIQD-MRXNPFEDSA-N 1 0 225.335 3.280 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Cc2ccccc2F)cc1 ZINC000011588240 178854314 /nfs/dbraw/zinc/85/43/14/178854314.db2.gz MGOALPCCGFUFFA-OAHLLOKOSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Cc2ccc(F)cc2)cc1 ZINC000011588242 178854426 /nfs/dbraw/zinc/85/44/26/178854426.db2.gz ZPTINETZXPWIMT-OAHLLOKOSA-N 1 0 243.325 3.419 10 0 BGAERO [NH3+]C[C@H](Cc1ccco1)c1cccc(Cl)c1 ZINC000011588319 181444879 /nfs/dbraw/zinc/44/48/79/181444879.db2.gz JGYVJARKBGBMBN-NSHDSACASA-N 1 0 235.714 3.218 10 0 BGAERO [NH3+]C[C@@H](Cc1ccco1)c1ccc(Cl)cc1 ZINC000011588358 181418954 /nfs/dbraw/zinc/41/89/54/181418954.db2.gz ONZIRPODUJQKHL-LLVKDONJSA-N 1 0 235.714 3.218 10 0 BGAERO Cc1ccc(-c2nc(C[C@@H](C)[NH3+])cs2)cc1 ZINC000011595439 178335805 /nfs/dbraw/zinc/33/58/05/178335805.db2.gz SOSLFRFFHRJUGN-SNVBAGLBSA-N 1 0 232.352 3.008 10 0 BGAERO Cc1ccc(-c2nc(C[C@H](C)[NH3+])cs2)cc1 ZINC000011595443 178335286 /nfs/dbraw/zinc/33/52/86/178335286.db2.gz SOSLFRFFHRJUGN-JTQLQIEISA-N 1 0 232.352 3.008 10 0 BGAERO C[NH2+][C@H](C)Cc1ccc(C(C)(C)C)cc1 ZINC000011596815 173447316 /nfs/dbraw/zinc/44/73/16/173447316.db2.gz FJMRPGMPHQWPRI-LLVKDONJSA-N 1 0 205.345 3.135 10 0 BGAERO C[C@H]1Cc2ccc(C(C)(C)C)cc2C[NH2+]1 ZINC000011597074 177388634 /nfs/dbraw/zinc/38/86/34/177388634.db2.gz PLYPYYYWGCQNPL-JTQLQIEISA-N 1 0 203.329 3.018 10 0 BGAERO Cc1ccc([C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000011597154 342841775 /nfs/dbraw/zinc/84/17/75/342841775.db2.gz OMRKUZDQUXNJDA-MRXNPFEDSA-N 1 0 223.319 3.230 10 0 BGAERO Cc1cccc2c1CC[NH2+][C@H]2CC(C)C ZINC000011597259 179215312 /nfs/dbraw/zinc/21/53/12/179215312.db2.gz SMKXARKRFDOSIU-AWEZNQCLSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1cccc2c1CC[NH2+][C@@H]2CC(C)C ZINC000011597261 179212987 /nfs/dbraw/zinc/21/29/87/179212987.db2.gz SMKXARKRFDOSIU-CQSZACIVSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1cccc2c1CC[NH2+][C@@H]2C(C)(C)C ZINC000011597269 179212865 /nfs/dbraw/zinc/21/28/65/179212865.db2.gz LLAWJQRVCWPXLE-ZDUSSCGKSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1cccc2c1CC[NH2+][C@H]2C(C)(C)C ZINC000011597272 179214794 /nfs/dbraw/zinc/21/47/94/179214794.db2.gz LLAWJQRVCWPXLE-CYBMUJFWSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1ccc2c(c1)[C@@H](CC(C)C)[NH2+]CC2 ZINC000011597639 178949969 /nfs/dbraw/zinc/94/99/69/178949969.db2.gz HHXXHLUVZGHANE-CQSZACIVSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1ccc2c(c1)[C@@H](C(C)(C)C)[NH2+]CC2 ZINC000011597652 178950252 /nfs/dbraw/zinc/95/02/52/178950252.db2.gz JVNXFHRVZGQGAT-ZDUSSCGKSA-N 1 0 203.329 3.228 10 0 BGAERO COc1cccc2c1CC[NH2+][C@@H]2C1CCCCC1 ZINC000011598026 175301571 /nfs/dbraw/zinc/30/15/71/175301571.db2.gz SKLADCOCARZPOZ-MRXNPFEDSA-N 1 0 245.366 3.462 10 0 BGAERO COc1cccc2c1CC[NH2+][C@H]2C1CCCCC1 ZINC000011598029 175301926 /nfs/dbraw/zinc/30/19/26/175301926.db2.gz SKLADCOCARZPOZ-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO COc1ccc2c(c1)CC[NH2+][C@@H]2C1CCCCC1 ZINC000011598222 175208776 /nfs/dbraw/zinc/20/87/76/175208776.db2.gz XLUJNWZHXSEWAU-MRXNPFEDSA-N 1 0 245.366 3.462 10 0 BGAERO COc1ccc2c(c1)CC[NH2+][C@H]2C1CCCCC1 ZINC000011598228 175208955 /nfs/dbraw/zinc/20/89/55/175208955.db2.gz XLUJNWZHXSEWAU-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO COc1ccc2c(c1)[C@H](C1CCCCC1)[NH2+]CC2 ZINC000011598355 175215756 /nfs/dbraw/zinc/21/57/56/175215756.db2.gz IVEPEVLQECLJIU-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO COc1ccc2c(c1)[C@@H](C1CCCCC1)[NH2+]CC2 ZINC000011598357 175213851 /nfs/dbraw/zinc/21/38/51/175213851.db2.gz IVEPEVLQECLJIU-MRXNPFEDSA-N 1 0 245.366 3.462 10 0 BGAERO CC[C@@H]1[NH2+]CCc2ccc(C(C)C)cc21 ZINC000011598517 171150309 /nfs/dbraw/zinc/15/03/09/171150309.db2.gz VNJBAVFPYZWSSR-AWEZNQCLSA-N 1 0 203.329 3.407 10 0 BGAERO CC(C)c1ccc2c(c1)[C@H](C1CC1)[NH2+]CC2 ZINC000011598533 167626142 /nfs/dbraw/zinc/62/61/42/167626142.db2.gz DKHQZMLGAPBJJV-HNNXBMFYSA-N 1 0 215.340 3.407 10 0 BGAERO C[C@H]1[NH2+]CCc2ccc(C(C)(C)C)cc21 ZINC000011598799 187992654 /nfs/dbraw/zinc/99/26/54/187992654.db2.gz PORLSXSUZZHWLZ-SNVBAGLBSA-N 1 0 203.329 3.191 10 0 BGAERO [NH3+][C@H](Cc1ccco1)Cc1ccccc1Cl ZINC000011599724 181626973 /nfs/dbraw/zinc/62/69/73/181626973.db2.gz IDYXRQCTPSXMKJ-NSHDSACASA-N 1 0 235.714 3.046 10 0 BGAERO [NH3+][C@H](Cc1ccco1)Cc1ccc(Cl)cc1 ZINC000011599734 181554222 /nfs/dbraw/zinc/55/42/22/181554222.db2.gz BGTKWGJNDUVQBF-LBPRGKRZSA-N 1 0 235.714 3.046 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])Cc1cccs1 ZINC000011599827 179289421 /nfs/dbraw/zinc/28/94/21/179289421.db2.gz VOEXTOVHQFEDIV-CYBMUJFWSA-N 1 0 231.364 3.169 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])Cc1cccs1 ZINC000011599832 179291609 /nfs/dbraw/zinc/29/16/09/179291609.db2.gz VOEXTOVHQFEDIV-ZDUSSCGKSA-N 1 0 231.364 3.169 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])Cc2cccs2)c1 ZINC000011599833 179104005 /nfs/dbraw/zinc/10/40/05/179104005.db2.gz ZTVHWIXWMRCPEV-CYBMUJFWSA-N 1 0 231.364 3.169 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])Cc2cccs2)c1 ZINC000011599836 179105341 /nfs/dbraw/zinc/10/53/41/179105341.db2.gz ZTVHWIXWMRCPEV-ZDUSSCGKSA-N 1 0 231.364 3.169 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])Cc1ccccc1 ZINC000011599977 179289770 /nfs/dbraw/zinc/28/97/70/179289770.db2.gz SLCIZUFUIURGAT-INIZCTEOSA-N 1 0 225.335 3.108 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])Cc2ccccc2)c1 ZINC000011599988 179106394 /nfs/dbraw/zinc/10/63/94/179106394.db2.gz FTCBLNSGHLLIEZ-MRXNPFEDSA-N 1 0 225.335 3.108 10 0 BGAERO Cc1ccc(C[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000011599993 178652228 /nfs/dbraw/zinc/65/22/28/178652228.db2.gz UPTDAEKQOYBIGU-MRXNPFEDSA-N 1 0 225.335 3.108 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1)Cc1ccccc1Cl ZINC000011600035 181556433 /nfs/dbraw/zinc/55/64/33/181556433.db2.gz KEPOSMABLQFAEE-AWEZNQCLSA-N 1 0 245.753 3.453 10 0 BGAERO [NH3+][C@H](Cc1ccccc1)Cc1ccccc1Cl ZINC000011600038 181625653 /nfs/dbraw/zinc/62/56/53/181625653.db2.gz KEPOSMABLQFAEE-CQSZACIVSA-N 1 0 245.753 3.453 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1)Cc1ccc(Cl)cc1 ZINC000011600047 181557142 /nfs/dbraw/zinc/55/71/42/181557142.db2.gz ZYKQYSOJBGLWRJ-HNNXBMFYSA-N 1 0 245.753 3.453 10 0 BGAERO Cc1ccccc1CC([NH3+])Cc1ccccc1C ZINC000011600116 179260568 /nfs/dbraw/zinc/26/05/68/179260568.db2.gz ALJJOZQYRFRXDQ-UHFFFAOYSA-N 1 0 239.362 3.416 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])Cc2ccccc2C)c1 ZINC000011600122 179106328 /nfs/dbraw/zinc/10/63/28/179106328.db2.gz WMCWFLGVVAQPER-KRWDZBQOSA-N 1 0 239.362 3.416 10 0 BGAERO Cc1ccc(C[C@@H]([NH3+])Cc2ccccc2C)cc1 ZINC000011600126 178648916 /nfs/dbraw/zinc/64/89/16/178648916.db2.gz UIUNDTNRPBDECT-QGZVFWFLSA-N 1 0 239.362 3.416 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])Cc1ccccc1F ZINC000011600129 179289942 /nfs/dbraw/zinc/28/99/42/179289942.db2.gz LNLGWQYHGGMBCI-OAHLLOKOSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])Cc1ccccc1F ZINC000011600133 179292068 /nfs/dbraw/zinc/29/20/68/179292068.db2.gz LNLGWQYHGGMBCI-HNNXBMFYSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])Cc1ccc(F)cc1 ZINC000011600137 179289441 /nfs/dbraw/zinc/28/94/41/179289441.db2.gz GBYSUBDVFOWFCZ-INIZCTEOSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000011600139 179292231 /nfs/dbraw/zinc/29/22/31/179292231.db2.gz GBYSUBDVFOWFCZ-MRXNPFEDSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1cccc(CC([NH3+])Cc2cccc(C)c2)c1 ZINC000011600257 179053188 /nfs/dbraw/zinc/05/31/88/179053188.db2.gz IXPCMMDBIKUWRL-UHFFFAOYSA-N 1 0 239.362 3.416 10 0 BGAERO Cc1ccc(C[C@@H]([NH3+])Cc2cccc(C)c2)cc1 ZINC000011600258 178648564 /nfs/dbraw/zinc/64/85/64/178648564.db2.gz HJQQNUWZECMFTJ-QGZVFWFLSA-N 1 0 239.362 3.416 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])Cc2ccccc2F)c1 ZINC000011600265 179104245 /nfs/dbraw/zinc/10/42/45/179104245.db2.gz IULOKUJEVUSNME-OAHLLOKOSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])Cc2ccccc2F)c1 ZINC000011600268 179105745 /nfs/dbraw/zinc/10/57/45/179105745.db2.gz IULOKUJEVUSNME-HNNXBMFYSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])Cc2ccc(F)cc2)c1 ZINC000011600270 187414484 /nfs/dbraw/zinc/41/44/84/187414484.db2.gz ZKXHZNOCGWWLBZ-INIZCTEOSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])Cc2ccc(F)cc2)c1 ZINC000011600272 179105356 /nfs/dbraw/zinc/10/53/56/179105356.db2.gz ZKXHZNOCGWWLBZ-MRXNPFEDSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1ccc(C[C@@H]([NH3+])Cc2ccccc2F)cc1 ZINC000011600390 178648219 /nfs/dbraw/zinc/64/82/19/178648219.db2.gz CQYKFWPPSITBHH-OAHLLOKOSA-N 1 0 243.325 3.247 10 0 BGAERO Cc1ccc(C[C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011600397 178651963 /nfs/dbraw/zinc/65/19/63/178651963.db2.gz XYEMHHCWFTVEHY-INIZCTEOSA-N 1 0 243.325 3.247 10 0 BGAERO CCc1ccc([C@H]([NH3+])Cc2ccco2)cc1 ZINC000011601564 171842870 /nfs/dbraw/zinc/84/28/70/171842870.db2.gz UJPXICFRVKSFNF-CQSZACIVSA-N 1 0 215.296 3.085 10 0 BGAERO [NH3+][C@@H](Cc1cccs1)c1cccs1 ZINC000011601713 344385757 /nfs/dbraw/zinc/38/57/57/344385757.db2.gz NIVWUWVSYREYOR-VIFPVBQESA-N 1 0 209.339 3.052 10 0 BGAERO [NH3+][C@H](Cc1cccs1)c1cccs1 ZINC000011601717 344385994 /nfs/dbraw/zinc/38/59/94/344385994.db2.gz NIVWUWVSYREYOR-SECBINFHSA-N 1 0 209.339 3.052 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])Cc1cccs1 ZINC000011601728 179324188 /nfs/dbraw/zinc/32/41/88/179324188.db2.gz KOFSLJDQFKJOIX-ZDUSSCGKSA-N 1 0 217.337 3.299 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])Cc1cccs1 ZINC000011601732 179343766 /nfs/dbraw/zinc/34/37/66/179343766.db2.gz KOFSLJDQFKJOIX-CYBMUJFWSA-N 1 0 217.337 3.299 10 0 BGAERO Cc1cccc([C@@H]([NH3+])Cc2cccs2)c1 ZINC000011601735 179186353 /nfs/dbraw/zinc/18/63/53/179186353.db2.gz KURKUVAQBZJMHG-ZDUSSCGKSA-N 1 0 217.337 3.299 10 0 BGAERO Cc1cccc([C@H]([NH3+])Cc2cccs2)c1 ZINC000011601738 179200210 /nfs/dbraw/zinc/20/02/10/179200210.db2.gz KURKUVAQBZJMHG-CYBMUJFWSA-N 1 0 217.337 3.299 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2cccs2)cc1 ZINC000011601748 178907914 /nfs/dbraw/zinc/90/79/14/178907914.db2.gz LNKJQDKMMZFYHK-CYBMUJFWSA-N 1 0 217.337 3.299 10 0 BGAERO [NH3+][C@H](Cc1cccs1)c1ccccc1F ZINC000011601756 181626994 /nfs/dbraw/zinc/62/69/94/181626994.db2.gz WGUPUQACIXPMEG-GFCCVEGCSA-N 1 0 221.300 3.130 10 0 BGAERO [NH3+][C@@H](Cc1cccs1)c1ccc(F)cc1 ZINC000011601758 181558322 /nfs/dbraw/zinc/55/83/22/181558322.db2.gz MGGYKHZFFDGFCR-LBPRGKRZSA-N 1 0 221.300 3.130 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])Cc1ccccc1 ZINC000011601928 179324973 /nfs/dbraw/zinc/32/49/73/179324973.db2.gz PLEHVAWEIJYKTM-HNNXBMFYSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])Cc1ccccc1 ZINC000011601934 179344155 /nfs/dbraw/zinc/34/41/55/179344155.db2.gz PLEHVAWEIJYKTM-OAHLLOKOSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1cccc([C@@H]([NH3+])Cc2ccccc2)c1 ZINC000011601936 179187100 /nfs/dbraw/zinc/18/71/00/179187100.db2.gz ICNIESRHHJXMBF-HNNXBMFYSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1cccc([C@H]([NH3+])Cc2ccccc2)c1 ZINC000011601937 179200273 /nfs/dbraw/zinc/20/02/73/179200273.db2.gz ICNIESRHHJXMBF-OAHLLOKOSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000011601941 178860270 /nfs/dbraw/zinc/86/02/70/178860270.db2.gz AZJLZOVPJNPLGE-HNNXBMFYSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2ccccc2)cc1 ZINC000011601944 343012487 /nfs/dbraw/zinc/01/24/87/343012487.db2.gz AZJLZOVPJNPLGE-OAHLLOKOSA-N 1 0 211.308 3.238 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000011601956 181556602 /nfs/dbraw/zinc/55/66/02/181556602.db2.gz LYNHBBICXLUZHS-AWEZNQCLSA-N 1 0 215.271 3.068 10 0 BGAERO [NH3+][C@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000011601959 343012701 /nfs/dbraw/zinc/01/27/01/343012701.db2.gz LYNHBBICXLUZHS-CQSZACIVSA-N 1 0 215.271 3.068 10 0 BGAERO CCc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000011601960 171834186 /nfs/dbraw/zinc/83/41/86/171834186.db2.gz HBMLKQCELQOUDL-INIZCTEOSA-N 1 0 225.335 3.492 10 0 BGAERO CCOc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000011602030 170559182 /nfs/dbraw/zinc/55/91/82/170559182.db2.gz YXOMHDMGKGXNHP-INIZCTEOSA-N 1 0 241.334 3.328 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])c1cccs1 ZINC000011602086 179291573 /nfs/dbraw/zinc/29/15/73/179291573.db2.gz QLPDVPAHHLJKRH-LBPRGKRZSA-N 1 0 217.337 3.299 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])c1ccccc1 ZINC000011602089 179289714 /nfs/dbraw/zinc/28/97/14/179289714.db2.gz JQQWNEQYFLLVBY-OAHLLOKOSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])c1ccccc1 ZINC000011602092 179292316 /nfs/dbraw/zinc/29/23/16/179292316.db2.gz JQQWNEQYFLLVBY-HNNXBMFYSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])c1ccccc1F ZINC000011602118 179289891 /nfs/dbraw/zinc/28/98/91/179289891.db2.gz MWJPIJAFRYRCEA-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])c1ccccc1F ZINC000011602122 179291901 /nfs/dbraw/zinc/29/19/01/179291901.db2.gz MWJPIJAFRYRCEA-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])c1ccc(F)cc1 ZINC000011602127 179289868 /nfs/dbraw/zinc/28/98/68/179289868.db2.gz ZOMLEVYWZWIBIR-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])c1ccc(F)cc1 ZINC000011602128 179291658 /nfs/dbraw/zinc/29/16/58/179291658.db2.gz ZOMLEVYWZWIBIR-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])Cc1ccccc1C ZINC000011602140 175346849 /nfs/dbraw/zinc/34/68/49/175346849.db2.gz QMDJRRICDYEHCD-HNNXBMFYSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1[C@H]([NH3+])Cc1ccccc1C ZINC000011602145 175352957 /nfs/dbraw/zinc/35/29/57/175352957.db2.gz QMDJRRICDYEHCD-OAHLLOKOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc([C@@H]([NH3+])Cc2ccccc2C)c1 ZINC000011602148 175288632 /nfs/dbraw/zinc/28/86/32/175288632.db2.gz PJBZMYRDLUEXRZ-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc([C@H]([NH3+])Cc2ccccc2C)c1 ZINC000011602153 175294519 /nfs/dbraw/zinc/29/45/19/175294519.db2.gz PJBZMYRDLUEXRZ-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2C)cc1 ZINC000011602157 187931785 /nfs/dbraw/zinc/93/17/85/187931785.db2.gz OCRDRZODAVFTKS-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc([C@H]([NH3+])Cc2ccccc2C)cc1 ZINC000011602161 175191865 /nfs/dbraw/zinc/19/18/65/175191865.db2.gz OCRDRZODAVFTKS-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])c2cccs2)c1 ZINC000011602264 179104283 /nfs/dbraw/zinc/10/42/83/179104283.db2.gz RKMSFLOTCGLCQZ-GFCCVEGCSA-N 1 0 217.337 3.299 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])c2cccs2)c1 ZINC000011602268 179105845 /nfs/dbraw/zinc/10/58/45/179105845.db2.gz RKMSFLOTCGLCQZ-LBPRGKRZSA-N 1 0 217.337 3.299 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])c2ccccc2)c1 ZINC000011602272 179104864 /nfs/dbraw/zinc/10/48/64/179104864.db2.gz WFFYHCYSLADLQA-OAHLLOKOSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])c2ccccc2)c1 ZINC000011602275 179106343 /nfs/dbraw/zinc/10/63/43/179106343.db2.gz WFFYHCYSLADLQA-HNNXBMFYSA-N 1 0 211.308 3.238 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])c2ccccc2F)c1 ZINC000011602305 179104965 /nfs/dbraw/zinc/10/49/65/179104965.db2.gz YNSJNVXMROUJDN-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])c2ccccc2F)c1 ZINC000011602308 179105982 /nfs/dbraw/zinc/10/59/82/179105982.db2.gz YNSJNVXMROUJDN-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])c2ccc(F)cc2)c1 ZINC000011602310 179104969 /nfs/dbraw/zinc/10/49/69/179104969.db2.gz MTYYNLUCZMMEGJ-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])c2ccc(F)cc2)c1 ZINC000011602315 179106279 /nfs/dbraw/zinc/10/62/79/179106279.db2.gz MTYYNLUCZMMEGJ-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])Cc1cccc(C)c1 ZINC000011602329 175347672 /nfs/dbraw/zinc/34/76/72/175347672.db2.gz WKQXVPPSJPWLCW-HNNXBMFYSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1[C@H]([NH3+])Cc1cccc(C)c1 ZINC000011602332 175353198 /nfs/dbraw/zinc/35/31/98/175353198.db2.gz WKQXVPPSJPWLCW-OAHLLOKOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc([C@@H]([NH3+])Cc2cccc(C)c2)c1 ZINC000011602334 175289021 /nfs/dbraw/zinc/28/90/21/175289021.db2.gz ZZMYWCWRMSTZRN-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc([C@H]([NH3+])Cc2cccc(C)c2)c1 ZINC000011602338 175294436 /nfs/dbraw/zinc/29/44/36/175294436.db2.gz ZZMYWCWRMSTZRN-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc([C@H]([NH3+])Cc2cccc(C)c2)cc1 ZINC000011602346 175192014 /nfs/dbraw/zinc/19/20/14/175192014.db2.gz MDXVZIFNGDSIAM-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO Cc1ccc(C[C@@H]([NH3+])c2ccccc2F)cc1 ZINC000011602487 178647998 /nfs/dbraw/zinc/64/79/98/178647998.db2.gz IAAYZSHHABMHJX-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccc(C[C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000011602497 178652694 /nfs/dbraw/zinc/65/26/94/178652694.db2.gz QUESAZAYJYUTJJ-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])Cc1ccc(C)cc1 ZINC000011602509 175346957 /nfs/dbraw/zinc/34/69/57/175346957.db2.gz PEFUPFFCXPKVPQ-HNNXBMFYSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1[C@H]([NH3+])Cc1ccc(C)cc1 ZINC000011602514 175353784 /nfs/dbraw/zinc/35/37/84/175353784.db2.gz PEFUPFFCXPKVPQ-OAHLLOKOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc([C@@H]([NH3+])Cc2ccc(C)cc2)c1 ZINC000011602518 175288530 /nfs/dbraw/zinc/28/85/30/175288530.db2.gz VIKFWIUZJKIAGF-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc([C@H]([NH3+])Cc2ccc(C)cc2)c1 ZINC000011602521 175293947 /nfs/dbraw/zinc/29/39/47/175293947.db2.gz VIKFWIUZJKIAGF-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc([C@H]([NH3+])Cc2ccc(C)cc2)cc1 ZINC000011602529 175191629 /nfs/dbraw/zinc/19/16/29/175191629.db2.gz DSVZQZFDNLIJRC-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1F)c1ccccc1 ZINC000011602647 343012838 /nfs/dbraw/zinc/01/28/38/343012838.db2.gz DLKZTOFJUGTTKF-AWEZNQCLSA-N 1 0 215.271 3.068 10 0 BGAERO [NH3+][C@H](Cc1ccccc1F)c1ccccc1 ZINC000011602649 343012686 /nfs/dbraw/zinc/01/26/86/343012686.db2.gz DLKZTOFJUGTTKF-CQSZACIVSA-N 1 0 215.271 3.068 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])Cc1ccccc1F ZINC000011602653 179324366 /nfs/dbraw/zinc/32/43/66/179324366.db2.gz CXGPRJRQIWDPLL-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])Cc1ccccc1F ZINC000011602655 179343907 /nfs/dbraw/zinc/34/39/07/179343907.db2.gz CXGPRJRQIWDPLL-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc([C@@H]([NH3+])Cc2ccccc2F)c1 ZINC000011602659 179186428 /nfs/dbraw/zinc/18/64/28/179186428.db2.gz FVEOYBBZHANKOD-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc([C@H]([NH3+])Cc2ccccc2F)c1 ZINC000011602661 179200185 /nfs/dbraw/zinc/20/01/85/179200185.db2.gz FVEOYBBZHANKOD-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2ccccc2F)cc1 ZINC000011602667 178907851 /nfs/dbraw/zinc/90/78/51/178907851.db2.gz HVXXNSMAADXMND-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO [NH3+][C@H](Cc1ccccc1F)c1ccc(F)cc1 ZINC000011602682 181627052 /nfs/dbraw/zinc/62/70/52/181627052.db2.gz QOEVQAXDMQFZHO-CQSZACIVSA-N 1 0 233.261 3.207 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])Cc1ccccc1F ZINC000011602692 175347719 /nfs/dbraw/zinc/34/77/19/175347719.db2.gz OKKKYFHVOVAFIJ-AWEZNQCLSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccccc1[C@H]([NH3+])Cc1ccccc1F ZINC000011602694 175353173 /nfs/dbraw/zinc/35/31/73/175353173.db2.gz OKKKYFHVOVAFIJ-CQSZACIVSA-N 1 0 245.297 3.077 10 0 BGAERO COc1cccc([C@@H]([NH3+])Cc2ccccc2F)c1 ZINC000011602698 175288581 /nfs/dbraw/zinc/28/85/81/175288581.db2.gz XBJDTDUPKYWBJW-HNNXBMFYSA-N 1 0 245.297 3.077 10 0 BGAERO COc1cccc([C@H]([NH3+])Cc2ccccc2F)c1 ZINC000011602702 175294137 /nfs/dbraw/zinc/29/41/37/175294137.db2.gz XBJDTDUPKYWBJW-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2F)cc1 ZINC000011602705 187249438 /nfs/dbraw/zinc/24/94/38/187249438.db2.gz XVORLOUTQYPLSY-HNNXBMFYSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc([C@H]([NH3+])Cc2ccccc2F)cc1 ZINC000011602707 175192362 /nfs/dbraw/zinc/19/23/62/175192362.db2.gz XVORLOUTQYPLSY-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1cccs1 ZINC000011602821 342841786 /nfs/dbraw/zinc/84/17/86/342841786.db2.gz AHKIFNAZBGUNSO-NSHDSACASA-N 1 0 221.300 3.130 10 0 BGAERO [NH3+][C@H](Cc1ccc(F)cc1)c1cccs1 ZINC000011602823 342841834 /nfs/dbraw/zinc/84/18/34/342841834.db2.gz AHKIFNAZBGUNSO-LLVKDONJSA-N 1 0 221.300 3.130 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])Cc1ccc(F)cc1 ZINC000011602832 179325300 /nfs/dbraw/zinc/32/53/00/179325300.db2.gz HCEIIMMMFUXZPV-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000011602836 179344128 /nfs/dbraw/zinc/34/41/28/179344128.db2.gz HCEIIMMMFUXZPV-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc([C@@H]([NH3+])Cc2ccc(F)cc2)c1 ZINC000011602840 179186514 /nfs/dbraw/zinc/18/65/14/179186514.db2.gz SZWJIXDDQKJTBG-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc([C@H]([NH3+])Cc2ccc(F)cc2)c1 ZINC000011602845 179200952 /nfs/dbraw/zinc/20/09/52/179200952.db2.gz SZWJIXDDQKJTBG-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)cc1 ZINC000011602849 178908324 /nfs/dbraw/zinc/90/83/24/178908324.db2.gz VBURBPPOLNDBOR-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO [NH3+][C@@H](Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000011602859 343012642 /nfs/dbraw/zinc/01/26/42/343012642.db2.gz HXXGVFCEHAXKDD-AWEZNQCLSA-N 1 0 233.261 3.207 10 0 BGAERO [NH3+][C@H](Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000011602863 343012723 /nfs/dbraw/zinc/01/27/23/343012723.db2.gz HXXGVFCEHAXKDD-CQSZACIVSA-N 1 0 233.261 3.207 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])Cc1ccc(F)cc1 ZINC000011602876 175346943 /nfs/dbraw/zinc/34/69/43/175346943.db2.gz YYFXXEACVHMKQL-AWEZNQCLSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccccc1[C@H]([NH3+])Cc1ccc(F)cc1 ZINC000011602878 175353776 /nfs/dbraw/zinc/35/37/76/175353776.db2.gz YYFXXEACVHMKQL-CQSZACIVSA-N 1 0 245.297 3.077 10 0 BGAERO COc1cccc([C@@H]([NH3+])Cc2ccc(F)cc2)c1 ZINC000011602883 175289137 /nfs/dbraw/zinc/28/91/37/175289137.db2.gz FEGCCRIQRLBSFN-HNNXBMFYSA-N 1 0 245.297 3.077 10 0 BGAERO COc1cccc([C@H]([NH3+])Cc2ccc(F)cc2)c1 ZINC000011602886 175293936 /nfs/dbraw/zinc/29/39/36/175293936.db2.gz FEGCCRIQRLBSFN-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO CCc1ccc(C[C@@H]([NH3+])c2ccccc2)cc1 ZINC000011603021 171814313 /nfs/dbraw/zinc/81/43/13/171814313.db2.gz LETPHNTVKAPKOG-MRXNPFEDSA-N 1 0 225.335 3.492 10 0 BGAERO COc1ccccc1C[C@@H]([NH3+])c1ccccc1C ZINC000011603180 175332853 /nfs/dbraw/zinc/33/28/53/175332853.db2.gz JKVCUEBKGDIFOR-OAHLLOKOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1C[C@H]([NH3+])c1ccccc1C ZINC000011603185 175333879 /nfs/dbraw/zinc/33/38/79/175333879.db2.gz JKVCUEBKGDIFOR-HNNXBMFYSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1C[C@@H]([NH3+])c1cccc(C)c1 ZINC000011603189 175332963 /nfs/dbraw/zinc/33/29/63/175332963.db2.gz OPTQYDKQZWGUCS-OAHLLOKOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1C[C@H]([NH3+])c1cccc(C)c1 ZINC000011603191 175333527 /nfs/dbraw/zinc/33/35/27/175333527.db2.gz OPTQYDKQZWGUCS-HNNXBMFYSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1C[C@@H]([NH3+])c1ccc(C)cc1 ZINC000011603195 175332615 /nfs/dbraw/zinc/33/26/15/175332615.db2.gz VZJOPEKAHRPXJZ-OAHLLOKOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1C[C@H]([NH3+])c1ccc(C)cc1 ZINC000011603200 175333531 /nfs/dbraw/zinc/33/35/31/175333531.db2.gz VZJOPEKAHRPXJZ-HNNXBMFYSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccccc1C[C@@H]([NH3+])c1ccccc1F ZINC000011603204 175332474 /nfs/dbraw/zinc/33/24/74/175332474.db2.gz HMUWJVAZUOOTSC-CQSZACIVSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccccc1C[C@H]([NH3+])c1ccccc1F ZINC000011603207 175333893 /nfs/dbraw/zinc/33/38/93/175333893.db2.gz HMUWJVAZUOOTSC-AWEZNQCLSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccccc1C[C@@H]([NH3+])c1ccc(F)cc1 ZINC000011603210 175332489 /nfs/dbraw/zinc/33/24/89/175332489.db2.gz UQLXOKWOLIVNCH-CQSZACIVSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccccc1C[C@H]([NH3+])c1ccc(F)cc1 ZINC000011603213 175334263 /nfs/dbraw/zinc/33/42/63/175334263.db2.gz UQLXOKWOLIVNCH-AWEZNQCLSA-N 1 0 245.297 3.077 10 0 BGAERO COc1cccc(C[C@@H]([NH3+])c2ccccc2C)c1 ZINC000011603359 175271373 /nfs/dbraw/zinc/27/13/73/175271373.db2.gz UEBKBCBEUIVEHA-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc(C[C@H]([NH3+])c2ccccc2C)c1 ZINC000011603362 175272737 /nfs/dbraw/zinc/27/27/37/175272737.db2.gz UEBKBCBEUIVEHA-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc(C[C@@H]([NH3+])c2cccc(C)c2)c1 ZINC000011603365 175271754 /nfs/dbraw/zinc/27/17/54/175271754.db2.gz ZZLGITOTXLSWMA-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc(C[C@H]([NH3+])c2cccc(C)c2)c1 ZINC000011603369 175272529 /nfs/dbraw/zinc/27/25/29/175272529.db2.gz ZZLGITOTXLSWMA-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc(C[C@@H]([NH3+])c2ccc(C)cc2)c1 ZINC000011603372 175271886 /nfs/dbraw/zinc/27/18/86/175271886.db2.gz FEJLAJJFZMYMAJ-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc(C[C@H]([NH3+])c2ccc(C)cc2)c1 ZINC000011603375 175272697 /nfs/dbraw/zinc/27/26/97/175272697.db2.gz FEJLAJJFZMYMAJ-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1cccc(C[C@@H]([NH3+])c2ccccc2F)c1 ZINC000011603378 175271970 /nfs/dbraw/zinc/27/19/70/175271970.db2.gz QZUJADIGFYXKHR-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO COc1cccc(C[C@H]([NH3+])c2ccccc2F)c1 ZINC000011603381 175272629 /nfs/dbraw/zinc/27/26/29/175272629.db2.gz QZUJADIGFYXKHR-HNNXBMFYSA-N 1 0 245.297 3.077 10 0 BGAERO COc1cccc(C[C@@H]([NH3+])c2ccc(F)cc2)c1 ZINC000011603383 175271765 /nfs/dbraw/zinc/27/17/65/175271765.db2.gz JBHWAONPLPBMTC-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO COc1cccc(C[C@H]([NH3+])c2ccc(F)cc2)c1 ZINC000011603387 175272573 /nfs/dbraw/zinc/27/25/73/175272573.db2.gz JBHWAONPLPBMTC-HNNXBMFYSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])c2ccccc2C)cc1 ZINC000011603545 175115685 /nfs/dbraw/zinc/11/56/85/175115685.db2.gz IZPGRPZYGQEFKY-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc(C[C@H]([NH3+])c2ccccc2C)cc1 ZINC000011603549 175116861 /nfs/dbraw/zinc/11/68/61/175116861.db2.gz IZPGRPZYGQEFKY-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])c2cccc(C)c2)cc1 ZINC000011603554 175115701 /nfs/dbraw/zinc/11/57/01/175115701.db2.gz MXWKNTVXDYLQHA-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc(C[C@H]([NH3+])c2cccc(C)c2)cc1 ZINC000011603557 175117396 /nfs/dbraw/zinc/11/73/96/175117396.db2.gz MXWKNTVXDYLQHA-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000011603561 175115883 /nfs/dbraw/zinc/11/58/83/175115883.db2.gz CQWASPXFRMMGDO-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc(C[C@H]([NH3+])c2ccc(C)cc2)cc1 ZINC000011603565 175117187 /nfs/dbraw/zinc/11/71/87/175117187.db2.gz CQWASPXFRMMGDO-INIZCTEOSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])c2ccccc2F)cc1 ZINC000011603568 175115929 /nfs/dbraw/zinc/11/59/29/175115929.db2.gz AKFPKHDLARWDCB-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc(C[C@H]([NH3+])c2ccccc2F)cc1 ZINC000011603572 175117080 /nfs/dbraw/zinc/11/70/80/175117080.db2.gz AKFPKHDLARWDCB-HNNXBMFYSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000011603576 175115927 /nfs/dbraw/zinc/11/59/27/175115927.db2.gz MEXGBTYUQYTWBM-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc(C[C@H]([NH3+])c2ccc(F)cc2)cc1 ZINC000011603580 175117303 /nfs/dbraw/zinc/11/73/03/175117303.db2.gz MEXGBTYUQYTWBM-HNNXBMFYSA-N 1 0 245.297 3.077 10 0 BGAERO CCOc1cccc(C[C@@H]([NH3+])c2ccccc2)c1 ZINC000011604708 170579577 /nfs/dbraw/zinc/57/95/77/170579577.db2.gz IJCULLKKRKSOHG-MRXNPFEDSA-N 1 0 241.334 3.328 10 0 BGAERO [NH3+][C@@H](CCc1cccs1)c1cccs1 ZINC000011605904 181546191 /nfs/dbraw/zinc/54/61/91/181546191.db2.gz AUUWZLQQSSHZJF-JTQLQIEISA-N 1 0 223.366 3.442 10 0 BGAERO [NH3+][C@H](CCc1ccccc1)c1cccs1 ZINC000011605913 181616809 /nfs/dbraw/zinc/61/68/09/181616809.db2.gz HIMIWULKMQHVFH-GFCCVEGCSA-N 1 0 217.337 3.381 10 0 BGAERO COc1ccc(CC[C@@H]([NH3+])c2cccs2)cc1 ZINC000011605971 175092431 /nfs/dbraw/zinc/09/24/31/175092431.db2.gz VUULVSZIEKETCI-CYBMUJFWSA-N 1 0 247.363 3.389 10 0 BGAERO COc1ccc(CC[C@H]([NH3+])c2cccs2)cc1 ZINC000011605974 175093953 /nfs/dbraw/zinc/09/39/53/175093953.db2.gz VUULVSZIEKETCI-ZDUSSCGKSA-N 1 0 247.363 3.389 10 0 BGAERO COc1ccccc1CC[C@@H]([NH3+])c1ccccc1 ZINC000011606109 175323863 /nfs/dbraw/zinc/32/38/63/175323863.db2.gz SWANBBAFWBGOOH-OAHLLOKOSA-N 1 0 241.334 3.328 10 0 BGAERO COc1ccccc1CC[C@H]([NH3+])c1ccccc1 ZINC000011606113 175323274 /nfs/dbraw/zinc/32/32/74/175323274.db2.gz SWANBBAFWBGOOH-HNNXBMFYSA-N 1 0 241.334 3.328 10 0 BGAERO COc1cccc(CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000011606116 175253640 /nfs/dbraw/zinc/25/36/40/175253640.db2.gz VMWFSSDJMRVJFL-MRXNPFEDSA-N 1 0 241.334 3.328 10 0 BGAERO COc1cccc(CC[C@H]([NH3+])c2ccccc2)c1 ZINC000011606118 175254072 /nfs/dbraw/zinc/25/40/72/175254072.db2.gz VMWFSSDJMRVJFL-INIZCTEOSA-N 1 0 241.334 3.328 10 0 BGAERO COc1ccc(CC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000011606124 175092405 /nfs/dbraw/zinc/09/24/05/175092405.db2.gz OWRLSEMWBWDMPP-MRXNPFEDSA-N 1 0 241.334 3.328 10 0 BGAERO COc1ccc(CC[C@H]([NH3+])c2ccccc2)cc1 ZINC000011606126 175093913 /nfs/dbraw/zinc/09/39/13/175093913.db2.gz OWRLSEMWBWDMPP-INIZCTEOSA-N 1 0 241.334 3.328 10 0 BGAERO [NH3+][C@H](CCc1ccccc1)c1ccc(F)cc1 ZINC000011607101 181616499 /nfs/dbraw/zinc/61/64/99/181616499.db2.gz YODFXCHWAPJOIP-OAHLLOKOSA-N 1 0 229.298 3.458 10 0 BGAERO COc1ccc([C@@H]([NH3+])CCc2cccs2)cc1 ZINC000011607399 175179925 /nfs/dbraw/zinc/17/99/25/175179925.db2.gz JVCLCKNLAJIRMT-AWEZNQCLSA-N 1 0 247.363 3.389 10 0 BGAERO COc1ccc([C@H]([NH3+])CCc2cccs2)cc1 ZINC000011607403 175192035 /nfs/dbraw/zinc/19/20/35/175192035.db2.gz JVCLCKNLAJIRMT-CQSZACIVSA-N 1 0 247.363 3.389 10 0 BGAERO COc1ccc([C@@H]([NH3+])CCc2ccccc2)cc1 ZINC000011607406 175179956 /nfs/dbraw/zinc/17/99/56/175179956.db2.gz HVSZGBUSFMKUAY-INIZCTEOSA-N 1 0 241.334 3.328 10 0 BGAERO COc1ccc([C@H]([NH3+])CCc2ccccc2)cc1 ZINC000011607410 175191975 /nfs/dbraw/zinc/19/19/75/175191975.db2.gz HVSZGBUSFMKUAY-MRXNPFEDSA-N 1 0 241.334 3.328 10 0 BGAERO Cc1cc([C@@H]([NH3+])CCc2ccco2)ccc1F ZINC000011607518 178236538 /nfs/dbraw/zinc/23/65/38/178236538.db2.gz ACHDKPZUOBZCCC-AWEZNQCLSA-N 1 0 233.286 3.360 10 0 BGAERO Cc1cc([C@H]([NH3+])CCc2ccco2)ccc1F ZINC000011607522 178262410 /nfs/dbraw/zinc/26/24/10/178262410.db2.gz ACHDKPZUOBZCCC-CQSZACIVSA-N 1 0 233.286 3.360 10 0 BGAERO C[C@@H](CC[NH3+])c1ccc2c(c1)CCCC2 ZINC000011629502 363211393 /nfs/dbraw/zinc/21/13/93/363211393.db2.gz WASDINLQOYESBT-NSHDSACASA-N 1 0 203.329 3.018 10 0 BGAERO C[C@H](CC[NH3+])c1ccc2c(c1)CCCC2 ZINC000011629503 363211375 /nfs/dbraw/zinc/21/13/75/363211375.db2.gz WASDINLQOYESBT-LLVKDONJSA-N 1 0 203.329 3.018 10 0 BGAERO C[C@H](CC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000011629525 176628241 /nfs/dbraw/zinc/62/82/41/176628241.db2.gz YTPVYSKFDRGRKS-SSDOTTSWSA-N 1 0 218.127 3.446 10 0 BGAERO [NH3+]CC[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000011629735 384665388 /nfs/dbraw/zinc/66/53/88/384665388.db2.gz AEHWOADEGSNSBF-HNNXBMFYSA-N 1 0 229.298 3.306 10 0 BGAERO [NH3+]CC[C@H](c1ccccc1)c1ccc(F)cc1 ZINC000011629736 384666226 /nfs/dbraw/zinc/66/62/26/384666226.db2.gz AEHWOADEGSNSBF-OAHLLOKOSA-N 1 0 229.298 3.306 10 0 BGAERO [NH3+]CCC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000011629876 181370065 /nfs/dbraw/zinc/37/00/65/181370065.db2.gz ABOVYMNBCRVWCS-UHFFFAOYSA-N 1 0 247.288 3.446 10 0 BGAERO CC[C@@H](CC[NH2+]C)c1ccc(OC)c(C)c1 ZINC000011630106 170817397 /nfs/dbraw/zinc/81/73/97/170817397.db2.gz COVPLDOMJVMUEM-LBPRGKRZSA-N 1 0 221.344 3.107 10 0 BGAERO CC[C@H](CC[NH2+]C)c1ccc(OC)c(C)c1 ZINC000011630107 171423815 /nfs/dbraw/zinc/42/38/15/171423815.db2.gz COVPLDOMJVMUEM-GFCCVEGCSA-N 1 0 221.344 3.107 10 0 BGAERO C[NH2+]CC[C@H](c1ccc(OC)c(C)c1)C1CC1 ZINC000011630146 173359183 /nfs/dbraw/zinc/35/91/83/173359183.db2.gz ZKYLMAIAZLTMFM-AWEZNQCLSA-N 1 0 233.355 3.107 10 0 BGAERO C[NH2+]CC[C@@H](c1ccc(OC)c(C)c1)C1CC1 ZINC000011630147 173358597 /nfs/dbraw/zinc/35/85/97/173358597.db2.gz ZKYLMAIAZLTMFM-CQSZACIVSA-N 1 0 233.355 3.107 10 0 BGAERO C[NH2+]CC[C@H](c1cc(C)ccc1OC)C1CC1 ZINC000011630148 173359025 /nfs/dbraw/zinc/35/90/25/173359025.db2.gz RZWCHPUXHCBYJR-ZDUSSCGKSA-N 1 0 233.355 3.107 10 0 BGAERO C[NH2+]CC[C@@H](c1cc(C)ccc1OC)C1CC1 ZINC000011630149 173358162 /nfs/dbraw/zinc/35/81/62/173358162.db2.gz RZWCHPUXHCBYJR-CYBMUJFWSA-N 1 0 233.355 3.107 10 0 BGAERO C[NH2+]CC[C@H](c1ccc(OC)cc1)C(C)C ZINC000011630182 173359039 /nfs/dbraw/zinc/35/90/39/173359039.db2.gz AVFSXLFIOCDXQO-AWEZNQCLSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]CC[C@@H](c1ccc(OC)cc1)C(C)C ZINC000011630183 173358613 /nfs/dbraw/zinc/35/86/13/173358613.db2.gz AVFSXLFIOCDXQO-CQSZACIVSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]CC[C@H](c1ccc(OC)c(C)c1)C(C)C ZINC000011630186 173358760 /nfs/dbraw/zinc/35/87/60/173358760.db2.gz GFAYBERXWQJVSM-AWEZNQCLSA-N 1 0 235.371 3.353 10 0 BGAERO C[NH2+]CC[C@@H](c1ccc(OC)c(C)c1)C(C)C ZINC000011630187 173358153 /nfs/dbraw/zinc/35/81/53/173358153.db2.gz GFAYBERXWQJVSM-CQSZACIVSA-N 1 0 235.371 3.353 10 0 BGAERO C[NH2+]CC[C@H](c1cc(C)ccc1OC)C(C)C ZINC000011630188 173359233 /nfs/dbraw/zinc/35/92/33/173359233.db2.gz PLLPCPUFBKGBQN-ZDUSSCGKSA-N 1 0 235.371 3.353 10 0 BGAERO C[NH2+]CC[C@@H](c1cc(C)ccc1OC)C(C)C ZINC000011630189 173358618 /nfs/dbraw/zinc/35/86/18/173358618.db2.gz PLLPCPUFBKGBQN-CYBMUJFWSA-N 1 0 235.371 3.353 10 0 BGAERO C[NH2+]CC[C@@H](c1ccc(OC)cc1)C(C)(C)C ZINC000011630222 173358202 /nfs/dbraw/zinc/35/82/02/173358202.db2.gz HJRLOUBZAPSMOF-AWEZNQCLSA-N 1 0 235.371 3.434 10 0 BGAERO C[NH2+]CC[C@H](c1ccc(OC)cc1)C(C)(C)C ZINC000011630223 173359004 /nfs/dbraw/zinc/35/90/04/173359004.db2.gz HJRLOUBZAPSMOF-CQSZACIVSA-N 1 0 235.371 3.434 10 0 BGAERO Cc1ccc(C(=O)C2([NH3+])CCCCC2)cc1C ZINC000011630621 178372044 /nfs/dbraw/zinc/37/20/44/178372044.db2.gz WZBOTSPVLKZRAF-UHFFFAOYSA-N 1 0 231.339 3.148 10 0 BGAERO [NH3+]C1(C(=O)c2ccc(Cl)cc2)CCCCC1 ZINC000011630625 181331322 /nfs/dbraw/zinc/33/13/22/181331322.db2.gz LPPZXSOXZBGFHL-UHFFFAOYSA-N 1 0 237.730 3.184 10 0 BGAERO CC(C)c1ccc(C[C@H]2CCC[NH2+]2)cc1 ZINC000011630848 167600737 /nfs/dbraw/zinc/60/07/37/167600737.db2.gz DURLLMGSNBENOX-CQSZACIVSA-N 1 0 203.329 3.105 10 0 BGAERO CC(C)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000011630894 167601154 /nfs/dbraw/zinc/60/11/54/167601154.db2.gz HPOPKZUMTKJJNC-AWEZNQCLSA-N 1 0 217.356 3.352 10 0 BGAERO CC(C)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000011630895 167601634 /nfs/dbraw/zinc/60/16/34/167601634.db2.gz HPOPKZUMTKJJNC-CQSZACIVSA-N 1 0 217.356 3.352 10 0 BGAERO [NH3+]Cc1c(-c2ccc(F)cc2)cn2ccccc12 ZINC000011630988 384509040 /nfs/dbraw/zinc/50/90/40/384509040.db2.gz RLNJVSQBMFKKGP-UHFFFAOYSA-N 1 0 240.281 3.204 10 0 BGAERO Cc1ccc(C)c(C(C)(C)C[C@H](C)[NH3+])c1 ZINC000011631340 178468714 /nfs/dbraw/zinc/46/87/14/178468714.db2.gz AHTKQCDGIRRYMO-LBPRGKRZSA-N 1 0 205.345 3.318 10 0 BGAERO COc1ccc(C)cc1C(C)(C)C[C@@H](C)[NH3+] ZINC000011631355 175073644 /nfs/dbraw/zinc/07/36/44/175073644.db2.gz APRGFOQBPBFJCW-LLVKDONJSA-N 1 0 221.344 3.019 10 0 BGAERO COc1ccc(C)cc1C(C)(C)C[C@H](C)[NH3+] ZINC000011631356 175074156 /nfs/dbraw/zinc/07/41/56/175074156.db2.gz APRGFOQBPBFJCW-NSHDSACASA-N 1 0 221.344 3.019 10 0 BGAERO Cc1cc(-c2csc([C@@H](C)[NH3+])n2)ccc1F ZINC000011631713 346873779 /nfs/dbraw/zinc/87/37/79/346873779.db2.gz SBZMFMNDXBNWGV-MRVPVSSYSA-N 1 0 236.315 3.277 10 0 BGAERO COc1ccc(C)cc1-c1csc([C@@H](C)[NH3+])n1 ZINC000011631715 175072002 /nfs/dbraw/zinc/07/20/02/175072002.db2.gz MPDYITDSGJAEOR-SECBINFHSA-N 1 0 248.351 3.147 10 0 BGAERO CC[C@@H]([NH3+])c1nc(Cc2ccccc2)cs1 ZINC000011631729 170871102 /nfs/dbraw/zinc/87/11/02/170871102.db2.gz ZQRKREKRHWTCOV-GFCCVEGCSA-N 1 0 232.352 3.144 10 0 BGAERO CC(C)[C@@H]([NH3+])c1nc(C(C)(C)C)cs1 ZINC000011631789 188104863 /nfs/dbraw/zinc/10/48/63/188104863.db2.gz IKUYDQRAXVMYLK-SECBINFHSA-N 1 0 212.362 3.096 10 0 BGAERO CC(C)[C@H]([NH3+])c1nc(C(C)(C)C)cs1 ZINC000011631790 344395952 /nfs/dbraw/zinc/39/59/52/344395952.db2.gz IKUYDQRAXVMYLK-VIFPVBQESA-N 1 0 212.362 3.096 10 0 BGAERO CC(C)[C@@H]([NH3+])c1nc(-c2ccccc2)cs1 ZINC000011631803 187249844 /nfs/dbraw/zinc/24/98/44/187249844.db2.gz PESROUXPAQPVQV-GFCCVEGCSA-N 1 0 232.352 3.466 10 0 BGAERO CC(C)[C@H]([NH3+])c1nc(-c2ccccc2)cs1 ZINC000011631804 187249705 /nfs/dbraw/zinc/24/97/05/187249705.db2.gz PESROUXPAQPVQV-LBPRGKRZSA-N 1 0 232.352 3.466 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1nc(C(C)C)cs1 ZINC000011631845 538708583 /nfs/dbraw/zinc/70/85/83/538708583.db2.gz NAWYSHFYEKNVFP-SECBINFHSA-N 1 0 212.362 3.312 10 0 BGAERO CC(C)C[C@H]([NH3+])c1nc(C(C)C)cs1 ZINC000011631846 187305582 /nfs/dbraw/zinc/30/55/82/187305582.db2.gz NAWYSHFYEKNVFP-VIFPVBQESA-N 1 0 212.362 3.312 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000011631853 187305246 /nfs/dbraw/zinc/30/52/46/187305246.db2.gz MZQBHCLKLCFNGD-SECBINFHSA-N 1 0 224.373 3.068 10 0 BGAERO Cc1nc([C@@H]([NH3+])Cc2ccccc2)sc1C ZINC000011631915 180040209 /nfs/dbraw/zinc/04/02/09/180040209.db2.gz FYIBXYGUQLVTNV-LBPRGKRZSA-N 1 0 232.352 3.002 10 0 BGAERO Cc1nc([C@H]([NH3+])Cc2ccccc2)sc1C ZINC000011631916 180052841 /nfs/dbraw/zinc/05/28/41/180052841.db2.gz FYIBXYGUQLVTNV-GFCCVEGCSA-N 1 0 232.352 3.002 10 0 BGAERO c1sc([C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000011631979 183382339 /nfs/dbraw/zinc/38/23/39/183382339.db2.gz YJBFAMTUHQNRKG-LLVKDONJSA-N 1 0 230.336 3.235 10 0 BGAERO c1sc([C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000011631980 183382216 /nfs/dbraw/zinc/38/22/16/183382216.db2.gz YJBFAMTUHQNRKG-NSHDSACASA-N 1 0 230.336 3.235 10 0 BGAERO Fc1ccc(-c2csc([C@H]3CCC[NH2+]3)n2)cc1 ZINC000011631996 180958456 /nfs/dbraw/zinc/95/84/56/180958456.db2.gz ZSDHRCSYNKRBBC-LLVKDONJSA-N 1 0 248.326 3.374 10 0 BGAERO [NH2+]=C1c2ccccc2CN1CCc1cccs1 ZINC000011667650 181207157 /nfs/dbraw/zinc/20/71/57/181207157.db2.gz LNARCJMYXWCQDA-UHFFFAOYSA-N 1 0 242.347 3.132 10 0 BGAERO [NH3+][C@@]12CCCC[C@@H]1CSc1ccccc12 ZINC000011686117 187305129 /nfs/dbraw/zinc/30/51/29/187305129.db2.gz GKDOAIQSSYTSJH-MFKMUULPSA-N 1 0 219.353 3.137 10 0 BGAERO C[NH2+][C@]12c3ccccc3C[C@H]1CCC[C@@H]2C ZINC000011686122 173470656 /nfs/dbraw/zinc/47/06/56/173470656.db2.gz SEQVASNPEDFLRB-LNSITVRQSA-N 1 0 215.340 3.094 10 0 BGAERO C[NH2+][C@]12c3ccccc3C[C@H]1CCC[C@H]2C ZINC000011686124 173470341 /nfs/dbraw/zinc/47/03/41/173470341.db2.gz SEQVASNPEDFLRB-KYOSRNDESA-N 1 0 215.340 3.094 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc2c(c1)C[C@H](C)O2 ZINC000011729965 187250353 /nfs/dbraw/zinc/25/03/53/187250353.db2.gz WTFIJNZTVYNGMT-GWCFXTLKSA-N 1 0 219.328 3.056 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000011729979 188105080 /nfs/dbraw/zinc/10/50/80/188105080.db2.gz RXJKZUCYKKLUDD-CYBMUJFWSA-N 1 0 219.328 3.058 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH3+])CC1(CCCC1)O2 ZINC000011730123 344983875 /nfs/dbraw/zinc/98/38/75/344983875.db2.gz GNDXBTBITSCDAX-GFCCVEGCSA-N 1 0 217.312 3.090 10 0 BGAERO Cc1ccc2c(c1)[C@@H]([NH3+])CC1(CCCC1)O2 ZINC000011730124 344984126 /nfs/dbraw/zinc/98/41/26/344984126.db2.gz GNDXBTBITSCDAX-LBPRGKRZSA-N 1 0 217.312 3.090 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH3+])CC1(CCCCC1)O2 ZINC000011730165 342842687 /nfs/dbraw/zinc/84/26/87/342842687.db2.gz QHMOCKRHFKEFOW-CYBMUJFWSA-N 1 0 231.339 3.480 10 0 BGAERO Cc1ccc2c(c1)[C@@H]([NH3+])CC1(CCCCC1)O2 ZINC000011730166 344984080 /nfs/dbraw/zinc/98/40/80/344984080.db2.gz QHMOCKRHFKEFOW-ZDUSSCGKSA-N 1 0 231.339 3.480 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH3+])CC1(CCCCC1)O2 ZINC000011730183 175215945 /nfs/dbraw/zinc/21/59/45/175215945.db2.gz KGSLVAIGQMXJGB-CYBMUJFWSA-N 1 0 247.338 3.180 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH3+])CC1(CCCCC1)O2 ZINC000011730184 175214478 /nfs/dbraw/zinc/21/44/78/175214478.db2.gz KGSLVAIGQMXJGB-ZDUSSCGKSA-N 1 0 247.338 3.180 10 0 BGAERO COc1ccc2c(c1)OC1(CCCCC1)C[C@@H]2[NH3+] ZINC000011730187 175212286 /nfs/dbraw/zinc/21/22/86/175212286.db2.gz QBQLMNSGOFHULD-ZDUSSCGKSA-N 1 0 247.338 3.180 10 0 BGAERO COc1ccc2c(c1)OC1(CCCCC1)C[C@H]2[NH3+] ZINC000011730188 175212299 /nfs/dbraw/zinc/21/22/99/175212299.db2.gz QBQLMNSGOFHULD-CYBMUJFWSA-N 1 0 247.338 3.180 10 0 BGAERO CCCCCC[N@@H+]1Cc2cccc(N)c2C1 ZINC000011730948 168662976 /nfs/dbraw/zinc/66/29/76/168662976.db2.gz MQCVERWTIRKDRN-UHFFFAOYSA-N 1 0 218.344 3.165 10 0 BGAERO C[C@H](c1ccccc1)[N@@H+]1Cc2cccc(N)c2C1 ZINC000011730967 177040431 /nfs/dbraw/zinc/04/04/31/177040431.db2.gz DTRKTMYWPOASDO-GFCCVEGCSA-N 1 0 238.334 3.346 10 0 BGAERO C[C@H](c1ccccc1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000011731074 177039931 /nfs/dbraw/zinc/03/99/31/177039931.db2.gz YTFOOLCWGJEKRG-GFCCVEGCSA-N 1 0 238.334 3.346 10 0 BGAERO CC(C)(C)c1ccc([C@H]([NH3+])c2cccnc2)cc1 ZINC000011737300 187250424 /nfs/dbraw/zinc/25/04/24/187250424.db2.gz HYBSMKYEVQOUPE-HNNXBMFYSA-N 1 0 240.350 3.427 10 0 BGAERO CC(C)(C)c1ccc([C@H]([NH3+])c2ccncc2)cc1 ZINC000011737356 187414531 /nfs/dbraw/zinc/41/45/31/187414531.db2.gz NYMXBJPPIRNFPB-HNNXBMFYSA-N 1 0 240.350 3.427 10 0 BGAERO CC(C)c1ccc(-c2nc(CC[NH3+])cs2)cc1 ZINC000011755519 344996216 /nfs/dbraw/zinc/99/62/16/344996216.db2.gz DUJRXQSBZUHLBW-UHFFFAOYSA-N 1 0 246.379 3.435 10 0 BGAERO CC[NH2+]CCc1ccc(Cl)cc1Cl ZINC000011755865 170117332 /nfs/dbraw/zinc/11/73/32/170117332.db2.gz ZEJCWTAZWLXTAZ-UHFFFAOYSA-N 1 0 218.127 3.145 10 0 BGAERO [NH3+]Cc1ccc(NC2CCCCC2)c(F)c1 ZINC000011757277 181484949 /nfs/dbraw/zinc/48/49/49/181484949.db2.gz PQLMBANBVXLCPZ-UHFFFAOYSA-N 1 0 222.307 3.029 10 0 BGAERO C[C@@H]([NH3+])c1cnc(C2CCCCC2)s1 ZINC000011760808 175818724 /nfs/dbraw/zinc/81/87/24/175818724.db2.gz FXFVNHKDFSCAJD-MRVPVSSYSA-N 1 0 210.346 3.211 10 0 BGAERO C[C@H]([NH3+])c1cnc(C2CCCCC2)s1 ZINC000011760815 398338153 /nfs/dbraw/zinc/33/81/53/398338153.db2.gz FXFVNHKDFSCAJD-QMMMGPOBSA-N 1 0 210.346 3.211 10 0 BGAERO Cc1cccc(Oc2ccc(CC[NH3+])cc2)c1 ZINC000011799578 179175604 /nfs/dbraw/zinc/17/56/04/179175604.db2.gz QEZXQPBOGKWNMO-UHFFFAOYSA-N 1 0 227.307 3.289 10 0 BGAERO Cc1ccccc1COc1ccccc1C[NH3+] ZINC000011799846 179287375 /nfs/dbraw/zinc/28/73/75/179287375.db2.gz AQIFIQXJHVMVPZ-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO Cc1cccc(COc2ccccc2C[NH3+])c1 ZINC000011800100 188105167 /nfs/dbraw/zinc/10/51/67/188105167.db2.gz BVNIAXYZXFKRDN-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO [NH3+]Cc1ccc(OCc2cccc(Cl)c2)cc1 ZINC000011801029 384688875 /nfs/dbraw/zinc/68/88/75/384688875.db2.gz ANGKKPKHCHOUJE-UHFFFAOYSA-N 1 0 247.725 3.378 10 0 BGAERO Cc1ccccc1COc1ccccc1CC[NH3+] ZINC000011801276 179287589 /nfs/dbraw/zinc/28/75/89/179287589.db2.gz AJKHYOJWZDHQMS-UHFFFAOYSA-N 1 0 241.334 3.075 10 0 BGAERO [NH3+]Cc1cccc(OCc2ccc(Cl)cc2)c1 ZINC000011801327 384296840 /nfs/dbraw/zinc/29/68/40/384296840.db2.gz CHSPACIWWGSTQT-UHFFFAOYSA-N 1 0 247.725 3.378 10 0 BGAERO Cc1cccc(COc2ccccc2CC[NH3+])c1 ZINC000011801454 187414415 /nfs/dbraw/zinc/41/44/15/187414415.db2.gz FICMSNNUTMNLJS-UHFFFAOYSA-N 1 0 241.334 3.075 10 0 BGAERO CC(C)c1ccc([C@@H]2C[NH2+]CC(C)(C)O2)cc1 ZINC000011803142 167615545 /nfs/dbraw/zinc/61/55/45/167615545.db2.gz OEVZEDRGUWQBFE-AWEZNQCLSA-N 1 0 233.355 3.250 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])CN(CC)c1cccc(C)c1 ZINC000011805225 170795885 /nfs/dbraw/zinc/79/58/85/170795885.db2.gz PEWJZKBLRVOQPG-UKRRQHHQSA-N 1 0 234.387 3.195 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])CN(CC)c1cccc(C)c1 ZINC000011805226 171396475 /nfs/dbraw/zinc/39/64/75/171396475.db2.gz PEWJZKBLRVOQPG-DZGCQCFKSA-N 1 0 234.387 3.195 10 0 BGAERO CCN(C[C@@H]([NH3+])CC(C)C)c1cccc(C)c1 ZINC000011805241 169883727 /nfs/dbraw/zinc/88/37/27/169883727.db2.gz NYXTVCABFQOKDK-AWEZNQCLSA-N 1 0 234.387 3.195 10 0 BGAERO CCN(C[C@@H]([NH3+])c1ccccc1)c1ccccc1 ZINC000011805294 169884607 /nfs/dbraw/zinc/88/46/07/169884607.db2.gz OGVUXHPGBWXWOO-MRXNPFEDSA-N 1 0 240.350 3.213 10 0 BGAERO Cc1ccc(COc2ccc(CC[NH3+])cc2)cc1 ZINC000011805730 187587196 /nfs/dbraw/zinc/58/71/96/187587196.db2.gz JAAQEEOTAJCUJB-UHFFFAOYSA-N 1 0 241.334 3.075 10 0 BGAERO [NH3+][C@@H](c1c[nH]c2ccccc21)c1ccccc1 ZINC000011824379 181633281 /nfs/dbraw/zinc/63/32/81/181633281.db2.gz RYPOSUIVEUEOEI-OAHLLOKOSA-N 1 0 222.291 3.216 10 0 BGAERO [NH3+]CC1(c2cccc3ccccc32)CCC1 ZINC000011848929 181362749 /nfs/dbraw/zinc/36/27/49/181362749.db2.gz ALDQVLPXSPGOSW-UHFFFAOYSA-N 1 0 211.308 3.220 10 0 BGAERO Cc1cc2c(cc1Cl)[C@H]([NH3+])CC(C)(C)O2 ZINC000011848964 178289404 /nfs/dbraw/zinc/28/94/04/178289404.db2.gz FAKKNZNFGRHMBW-SNVBAGLBSA-N 1 0 225.719 3.209 10 0 BGAERO Cc1cc2c(cc1Cl)[C@@H]([NH3+])CC(C)(C)O2 ZINC000011848965 178288639 /nfs/dbraw/zinc/28/86/39/178288639.db2.gz FAKKNZNFGRHMBW-JTQLQIEISA-N 1 0 225.719 3.209 10 0 BGAERO CC1(C)C[C@@H]([NH3+])c2c(ccc3ccccc32)O1 ZINC000011848996 345033836 /nfs/dbraw/zinc/03/38/36/345033836.db2.gz YNFVHRGWXQTYOU-GFCCVEGCSA-N 1 0 227.307 3.401 10 0 BGAERO CC1(C)C[C@H]([NH3+])c2c(ccc3ccccc32)O1 ZINC000011848997 187931575 /nfs/dbraw/zinc/93/15/75/187931575.db2.gz YNFVHRGWXQTYOU-LBPRGKRZSA-N 1 0 227.307 3.401 10 0 BGAERO CC1(C)C[C@@H]([NH3+])c2ccc3ccccc3c2O1 ZINC000011848998 345034278 /nfs/dbraw/zinc/03/42/78/345034278.db2.gz YDJYLJCQPAXYMM-CYBMUJFWSA-N 1 0 227.307 3.401 10 0 BGAERO CC1(C)C[C@H]([NH3+])c2ccc3ccccc3c2O1 ZINC000011848999 345034127 /nfs/dbraw/zinc/03/41/27/345034127.db2.gz YDJYLJCQPAXYMM-ZDUSSCGKSA-N 1 0 227.307 3.401 10 0 BGAERO C[C@@H]([NH3+])COc1ccc(-c2ccccc2)cc1 ZINC000011849671 175806285 /nfs/dbraw/zinc/80/62/85/175806285.db2.gz ZKZMPUKMZBXSHX-GFCCVEGCSA-N 1 0 227.307 3.080 10 0 BGAERO C[C@H]([NH3+])COc1ccc(-c2ccccc2)cc1 ZINC000011849672 345032873 /nfs/dbraw/zinc/03/28/73/345032873.db2.gz ZKZMPUKMZBXSHX-LBPRGKRZSA-N 1 0 227.307 3.080 10 0 BGAERO Cc1nc(-c2ccccc2C)sc1[C@@H](C)[NH3+] ZINC000011850344 179237904 /nfs/dbraw/zinc/23/79/04/179237904.db2.gz YJPUCPIDYVYAJW-SECBINFHSA-N 1 0 232.352 3.447 10 0 BGAERO Cc1nc(-c2ccccc2C)sc1[C@H](C)[NH3+] ZINC000011850345 179238111 /nfs/dbraw/zinc/23/81/11/179238111.db2.gz YJPUCPIDYVYAJW-VIFPVBQESA-N 1 0 232.352 3.447 10 0 BGAERO Cc1ccccc1-c1nc2c(s1)[C@H]([NH3+])CCC2 ZINC000011850394 179237757 /nfs/dbraw/zinc/23/77/57/179237757.db2.gz NOQPDYYZNYHLBL-LLVKDONJSA-N 1 0 244.363 3.455 10 0 BGAERO Cc1ccccc1-c1nc2c(s1)[C@@H]([NH3+])CCC2 ZINC000011850395 179238357 /nfs/dbraw/zinc/23/83/57/179238357.db2.gz NOQPDYYZNYHLBL-NSHDSACASA-N 1 0 244.363 3.455 10 0 BGAERO Cc1ccccc1-c1nc([C@@H](C)[NH3+])cs1 ZINC000011850454 179238534 /nfs/dbraw/zinc/23/85/34/179238534.db2.gz BEAZFQRMZUCFIJ-SECBINFHSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccccc1-c1nc([C@H](C)[NH3+])cs1 ZINC000011850455 179237983 /nfs/dbraw/zinc/23/79/83/179237983.db2.gz BEAZFQRMZUCFIJ-VIFPVBQESA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccc(-c2csc([C@@H](C)C[NH3+])n2)cc1 ZINC000011883562 178330377 /nfs/dbraw/zinc/33/03/77/178330377.db2.gz AFCOAWILOPIHAV-JTQLQIEISA-N 1 0 232.352 3.181 10 0 BGAERO Cc1ccc(-c2csc([C@H](C)C[NH3+])n2)cc1 ZINC000011883565 178329924 /nfs/dbraw/zinc/32/99/24/178329924.db2.gz AFCOAWILOPIHAV-SNVBAGLBSA-N 1 0 232.352 3.181 10 0 BGAERO Cc1ccc(-c2csc([C@@H](C)C[NH3+])n2)cc1C ZINC000011883578 178330776 /nfs/dbraw/zinc/33/07/76/178330776.db2.gz CNLHSPRMLQOXOT-NSHDSACASA-N 1 0 246.379 3.489 10 0 BGAERO Cc1ccc(-c2csc([C@H](C)C[NH3+])n2)cc1C ZINC000011883580 178330577 /nfs/dbraw/zinc/33/05/77/178330577.db2.gz CNLHSPRMLQOXOT-LLVKDONJSA-N 1 0 246.379 3.489 10 0 BGAERO Cc1ccc(C)c(-c2csc([C@H](C)C[NH3+])n2)c1 ZINC000011883584 178460976 /nfs/dbraw/zinc/46/09/76/178460976.db2.gz KPSWUTSISUGRPP-LLVKDONJSA-N 1 0 246.379 3.489 10 0 BGAERO Cc1ccc(-c2csc(C[C@@H](C)[NH3+])n2)cc1 ZINC000011883690 178330393 /nfs/dbraw/zinc/33/03/93/178330393.db2.gz MTLZYNAUZUAGMD-SNVBAGLBSA-N 1 0 232.352 3.008 10 0 BGAERO Cc1ccc(-c2csc(C[C@H](C)[NH3+])n2)cc1 ZINC000011883692 178329809 /nfs/dbraw/zinc/32/98/09/178329809.db2.gz MTLZYNAUZUAGMD-JTQLQIEISA-N 1 0 232.352 3.008 10 0 BGAERO CCc1ccc(-c2csc(C[C@@H](C)[NH3+])n2)cc1 ZINC000011883694 171779357 /nfs/dbraw/zinc/77/93/57/171779357.db2.gz OYLSYTNZYIRHFY-SNVBAGLBSA-N 1 0 246.379 3.262 10 0 BGAERO Cc1ccc(-c2csc(C[C@@H](C)[NH3+])n2)cc1C ZINC000011883705 178329848 /nfs/dbraw/zinc/32/98/48/178329848.db2.gz MNNFBMOWWFWNPF-LLVKDONJSA-N 1 0 246.379 3.317 10 0 BGAERO Cc1ccc(-c2csc(C[C@H](C)[NH3+])n2)cc1C ZINC000011883707 178330449 /nfs/dbraw/zinc/33/04/49/178330449.db2.gz MNNFBMOWWFWNPF-NSHDSACASA-N 1 0 246.379 3.317 10 0 BGAERO c1sc(C[C@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000011883937 183381602 /nfs/dbraw/zinc/38/16/02/183381602.db2.gz MPHVFAMYTCNHFH-GFCCVEGCSA-N 1 0 244.363 3.105 10 0 BGAERO c1sc(C[C@@H]2CCC[NH2+]2)nc1-c1ccccc1 ZINC000011883939 183382364 /nfs/dbraw/zinc/38/23/64/183382364.db2.gz MPHVFAMYTCNHFH-LBPRGKRZSA-N 1 0 244.363 3.105 10 0 BGAERO Cc1ccccc1Oc1ccc(CC[NH3+])cc1 ZINC000011883998 179314514 /nfs/dbraw/zinc/31/45/14/179314514.db2.gz OIEORAHUDTZTDM-UHFFFAOYSA-N 1 0 227.307 3.289 10 0 BGAERO [NH3+]C1(c2cccc(Cl)c2)CCCCC1 ZINC000011884432 181335127 /nfs/dbraw/zinc/33/51/27/181335127.db2.gz GUAOSMXRCCWTIY-UHFFFAOYSA-N 1 0 209.720 3.458 10 0 BGAERO Cc1ccccc1COc1cccc(C[NH3+])c1 ZINC000011884440 179286701 /nfs/dbraw/zinc/28/67/01/179286701.db2.gz VUTXCEUJURWRDE-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO C[C@@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1Cl ZINC000011884864 345051416 /nfs/dbraw/zinc/05/14/16/345051416.db2.gz NBXVNQINZSQRHB-LDWIPMOCSA-N 1 0 216.111 3.187 10 0 BGAERO C[C@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1Cl ZINC000011884866 345051077 /nfs/dbraw/zinc/05/10/77/345051077.db2.gz NBXVNQINZSQRHB-WKEGUHRASA-N 1 0 216.111 3.187 10 0 BGAERO C[C@@H]1C[C@]1([NH3+])c1ccc(Cl)cc1Cl ZINC000011884870 345051391 /nfs/dbraw/zinc/05/13/91/345051391.db2.gz NBXVNQINZSQRHB-LHLIQPBNSA-N 1 0 216.111 3.187 10 0 BGAERO C[C@H]1C[C@]1([NH3+])c1ccc(Cl)cc1Cl ZINC000011884873 345050959 /nfs/dbraw/zinc/05/09/59/345050959.db2.gz NBXVNQINZSQRHB-QUBYGPBYSA-N 1 0 216.111 3.187 10 0 BGAERO Cc1cccc(COc2cccc(C[NH3+])c2)c1 ZINC000011884897 187250481 /nfs/dbraw/zinc/25/04/81/187250481.db2.gz SIURRRBVHYMWEP-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO [NH3+]C1(c2ccc(Cl)cc2Cl)CCC1 ZINC000011884898 181333592 /nfs/dbraw/zinc/33/35/92/181333592.db2.gz DQUHGNNNJXWLDY-UHFFFAOYSA-N 1 0 216.111 3.331 10 0 BGAERO Cc1sc([C@H](C)C[NH3+])nc1-c1ccccc1 ZINC000011886696 180558812 /nfs/dbraw/zinc/55/88/12/180558812.db2.gz RNFQNJYMVMUONH-SECBINFHSA-N 1 0 232.352 3.181 10 0 BGAERO [NH3+]Cc1ccc(-c2nc3c(s2)CCCC3)cc1 ZINC000011886710 181479919 /nfs/dbraw/zinc/47/99/19/181479919.db2.gz GBFMGJZFWQYFFR-UHFFFAOYSA-N 1 0 244.363 3.148 10 0 BGAERO Cc1ccc(-c2csc([C@@H](C)C[NH3+])n2)c(C)c1 ZINC000011886988 178330562 /nfs/dbraw/zinc/33/05/62/178330562.db2.gz NOCQGRIVZRLZKN-NSHDSACASA-N 1 0 246.379 3.489 10 0 BGAERO Cc1ccc(-c2csc([C@H](C)C[NH3+])n2)c(C)c1 ZINC000011886989 178330628 /nfs/dbraw/zinc/33/06/28/178330628.db2.gz NOCQGRIVZRLZKN-LLVKDONJSA-N 1 0 246.379 3.489 10 0 BGAERO COc1ccc(-c2nc([C@@H](C)[NH3+])sc2C)cc1 ZINC000011887068 175039569 /nfs/dbraw/zinc/03/95/69/175039569.db2.gz SISQJEDAYBFHGO-MRVPVSSYSA-N 1 0 248.351 3.147 10 0 BGAERO Cc1sc([C@@H](C)[NH3+])nc1-c1ccc(C)cc1 ZINC000011887169 178335722 /nfs/dbraw/zinc/33/57/22/178335722.db2.gz RMGIYSUYWZDDSB-SECBINFHSA-N 1 0 232.352 3.447 10 0 BGAERO Cc1sc([C@H](C)[NH3+])nc1-c1ccc(C)cc1 ZINC000011887173 178337740 /nfs/dbraw/zinc/33/77/40/178337740.db2.gz RMGIYSUYWZDDSB-VIFPVBQESA-N 1 0 232.352 3.447 10 0 BGAERO Cc1sc([C@@H](C)C[NH3+])nc1-c1ccc(C)cc1 ZINC000011887184 178335668 /nfs/dbraw/zinc/33/56/68/178335668.db2.gz NAWNZRGQKCMBGW-JTQLQIEISA-N 1 0 246.379 3.489 10 0 BGAERO Cc1sc([C@H](C)C[NH3+])nc1-c1ccc(C)cc1 ZINC000011887188 178336650 /nfs/dbraw/zinc/33/66/50/178336650.db2.gz NAWNZRGQKCMBGW-SNVBAGLBSA-N 1 0 246.379 3.489 10 0 BGAERO Cc1sc(CCC[NH3+])nc1-c1ccc(C)cc1 ZINC000011887191 178333901 /nfs/dbraw/zinc/33/39/01/178333901.db2.gz IWMALWPMIRSGMI-UHFFFAOYSA-N 1 0 246.379 3.318 10 0 BGAERO Cc1ccccc1COc1cccc(CC[NH3+])c1 ZINC000011887224 179287208 /nfs/dbraw/zinc/28/72/08/179287208.db2.gz JMTOHGVUQUEFCE-UHFFFAOYSA-N 1 0 241.334 3.075 10 0 BGAERO CCCCOc1ccc(Cl)cc1CC[NH3+] ZINC000011887613 168918528 /nfs/dbraw/zinc/91/85/28/168918528.db2.gz TVZZMHXQVDFCML-UHFFFAOYSA-N 1 0 227.735 3.020 10 0 BGAERO Cc1cccc(COc2cccc(CC[NH3+])c2)c1 ZINC000011887747 188105239 /nfs/dbraw/zinc/10/52/39/188105239.db2.gz NQYCKPNDMSSNRD-UHFFFAOYSA-N 1 0 241.334 3.075 10 0 BGAERO CCCCCCOc1cc(C[NH3+])ccc1OC ZINC000011888256 168671473 /nfs/dbraw/zinc/67/14/73/168671473.db2.gz KAHFUGCWJXGJFL-UHFFFAOYSA-N 1 0 237.343 3.113 10 0 BGAERO C[NH2+]C[C@@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000011892199 173370812 /nfs/dbraw/zinc/37/08/12/173370812.db2.gz RFXVNOFYMQVGGH-ZDUSSCGKSA-N 1 0 246.398 3.030 10 0 BGAERO C[NH2+]C[C@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000011892203 173381475 /nfs/dbraw/zinc/38/14/75/173381475.db2.gz RFXVNOFYMQVGGH-CYBMUJFWSA-N 1 0 246.398 3.030 10 0 BGAERO [NH3+]Cc1c2ccccc2[nH]c1-c1ccccc1 ZINC000011919348 345072795 /nfs/dbraw/zinc/07/27/95/345072795.db2.gz DQHJFYWVIKUVTF-UHFFFAOYSA-N 1 0 222.291 3.294 10 0 BGAERO Cc1cc(C)cc(OCc2ccccc2C[NH3+])c1 ZINC000011944857 177913666 /nfs/dbraw/zinc/91/36/66/177913666.db2.gz FWVTXDDLRCZEHC-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO Cc1cccc(C)c1OCc1ccccc1C[NH3+] ZINC000011944859 179048314 /nfs/dbraw/zinc/04/83/14/179048314.db2.gz DMGOSZREYBOILK-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO Cc1ccc(OCc2ccccc2C[NH3+])c(C)c1 ZINC000011944875 178816083 /nfs/dbraw/zinc/81/60/83/178816083.db2.gz MNDUDRMGSVPWET-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO Cc1cccc(OCc2ccccc2C[NH3+])c1 ZINC000011945041 188279832 /nfs/dbraw/zinc/27/98/32/188279832.db2.gz ISIUFGAGIQBOPY-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO Cc1cc(C)cc(OCc2ccc(C[NH3+])cc2)c1 ZINC000011945319 177913308 /nfs/dbraw/zinc/91/33/08/177913308.db2.gz NXQZROKXBCUUBZ-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO Cc1cccc(C)c1OCc1ccc(C[NH3+])cc1 ZINC000011945323 179048215 /nfs/dbraw/zinc/04/82/15/179048215.db2.gz WBGDUUILGDCSKE-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO Cc1ccc(OCc2ccc(C[NH3+])cc2)c(C)c1 ZINC000011945343 178814425 /nfs/dbraw/zinc/81/44/25/178814425.db2.gz MPOMHIUIIDIMSZ-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO [NH3+]Cc1ccc(COc2ccccc2Cl)cc1 ZINC000011945356 181481724 /nfs/dbraw/zinc/48/17/24/181481724.db2.gz VGKXVSULSPLTNJ-UHFFFAOYSA-N 1 0 247.725 3.378 10 0 BGAERO Cc1ccccc1OCc1ccc(C[NH3+])cc1 ZINC000011945499 188279612 /nfs/dbraw/zinc/27/96/12/188279612.db2.gz VCPULXISGOTGLL-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO CCc1ccc(O[C@@H](C)C[NH3+])c(C(C)(C)C)c1 ZINC000011946191 188279951 /nfs/dbraw/zinc/27/99/51/188279951.db2.gz KWCPXMDMMKRYIG-NSHDSACASA-N 1 0 235.371 3.273 10 0 BGAERO CCc1ccc(O[C@H](C)C[NH3+])c(C(C)(C)C)c1 ZINC000011946195 188104721 /nfs/dbraw/zinc/10/47/21/188104721.db2.gz KWCPXMDMMKRYIG-LLVKDONJSA-N 1 0 235.371 3.273 10 0 BGAERO Cc1ccc(C(C)(C)C)c(O[C@@H](C)C[NH3+])c1 ZINC000011946212 178448504 /nfs/dbraw/zinc/44/85/04/178448504.db2.gz HRJXGLFHHKMVFR-NSHDSACASA-N 1 0 221.344 3.019 10 0 BGAERO CCC(C)(C)c1ccc(O[C@@H](C)C[NH3+])cc1 ZINC000011946234 168305269 /nfs/dbraw/zinc/30/52/69/168305269.db2.gz DEXNHDWBHUXQBU-NSHDSACASA-N 1 0 221.344 3.100 10 0 BGAERO CCC(C)(C)c1ccc(O[C@H](C)C[NH3+])cc1 ZINC000011946241 168305042 /nfs/dbraw/zinc/30/50/42/168305042.db2.gz DEXNHDWBHUXQBU-LLVKDONJSA-N 1 0 221.344 3.100 10 0 BGAERO Cc1ccc(-c2ccc(O[C@@H](C)C[NH3+])cc2)cc1 ZINC000011946262 178325165 /nfs/dbraw/zinc/32/51/65/178325165.db2.gz XRHCEGRNCWTFIM-ZDUSSCGKSA-N 1 0 241.334 3.388 10 0 BGAERO Cc1ccc(-c2ccc(O[C@H](C)C[NH3+])cc2)cc1 ZINC000011946268 178325244 /nfs/dbraw/zinc/32/52/44/178325244.db2.gz XRHCEGRNCWTFIM-CYBMUJFWSA-N 1 0 241.334 3.388 10 0 BGAERO [NH3+]Cc1c2ccccc2[nH]c1-c1ccccc1F ZINC000011950961 181472040 /nfs/dbraw/zinc/47/20/40/181472040.db2.gz RKEZDGQXQGRPOI-UHFFFAOYSA-N 1 0 240.281 3.433 10 0 BGAERO Cc1ccc(COc2cccc(C[NH3+])c2)cc1 ZINC000011958700 384304242 /nfs/dbraw/zinc/30/42/42/384304242.db2.gz DHCPDRXDSICUNG-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO [NH3+]Cc1cc(Cl)ccc1OCc1ccccc1 ZINC000011959693 384305097 /nfs/dbraw/zinc/30/50/97/384305097.db2.gz SVIONFOZDQGJPP-UHFFFAOYSA-N 1 0 247.725 3.378 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1C(C)C ZINC000011959751 170795796 /nfs/dbraw/zinc/79/57/96/170795796.db2.gz QDZLSTHJFCVPRW-RISCZKNCSA-N 1 0 248.370 3.122 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccccc1C(C)C ZINC000011959754 171396911 /nfs/dbraw/zinc/39/69/11/171396911.db2.gz QDZLSTHJFCVPRW-FZMZJTMJSA-N 1 0 248.370 3.122 10 0 BGAERO Cc1cccc(COc2ccc(CC[NH3+])cc2)c1 ZINC000011961703 188105113 /nfs/dbraw/zinc/10/51/13/188105113.db2.gz ZDODZOQGSVZKNF-UHFFFAOYSA-N 1 0 241.334 3.075 10 0 BGAERO CCCOc1ccc2ccccc2c1CC[NH3+] ZINC000011962153 169324437 /nfs/dbraw/zinc/32/44/37/169324437.db2.gz VFMNOPZUQPFHDP-UHFFFAOYSA-N 1 0 229.323 3.130 10 0 BGAERO CC[C@H](C[NH3+])Cc1ccc(C(C)C)cc1 ZINC000011975354 171430364 /nfs/dbraw/zinc/43/03/64/171430364.db2.gz YFBSLPJUXZTURQ-LBPRGKRZSA-N 1 0 205.345 3.337 10 0 BGAERO CC[C@@H](C[NH3+])Cc1c(F)cccc1Cl ZINC000011975481 170822039 /nfs/dbraw/zinc/82/20/39/170822039.db2.gz GUILNJOMGWXDRR-MRVPVSSYSA-N 1 0 215.699 3.007 10 0 BGAERO CC[C@H](C[NH3+])Cc1c(F)cccc1Cl ZINC000011975485 171430605 /nfs/dbraw/zinc/43/06/05/171430605.db2.gz GUILNJOMGWXDRR-QMMMGPOBSA-N 1 0 215.699 3.007 10 0 BGAERO c1cc2c(ccc3c2C[C@H]([NH+]2CCCC2)CC3)[nH]1 ZINC000012355953 183374188 /nfs/dbraw/zinc/37/41/88/183374188.db2.gz ZHYVAHQXIANQII-CYBMUJFWSA-N 1 0 240.350 3.121 10 0 BGAERO c1cc2c(ccc3c2C[C@@H]([NH+]2CCCC2)CC3)[nH]1 ZINC000012355955 183374200 /nfs/dbraw/zinc/37/42/00/183374200.db2.gz ZHYVAHQXIANQII-ZDUSSCGKSA-N 1 0 240.350 3.121 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccsc2)cc1 ZINC000012370374 173388279 /nfs/dbraw/zinc/38/82/79/173388279.db2.gz VBNZKCIOXSBOJS-UHFFFAOYSA-N 1 0 203.310 3.135 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-n2cnc3ccccc32)cc1 ZINC000012506497 175817023 /nfs/dbraw/zinc/81/70/23/175817023.db2.gz JWKQQHRYFAEGCX-LLVKDONJSA-N 1 0 237.306 3.045 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-c2cccs2)cc1 ZINC000012506526 175816919 /nfs/dbraw/zinc/81/69/19/175816919.db2.gz CZPBHPBBSDXKIG-SECBINFHSA-N 1 0 203.310 3.435 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2cccs2)cc1 ZINC000012506528 342853004 /nfs/dbraw/zinc/85/30/04/342853004.db2.gz CZPBHPBBSDXKIG-VIFPVBQESA-N 1 0 203.310 3.435 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000012745617 398241270 /nfs/dbraw/zinc/24/12/70/398241270.db2.gz JGCFEDGKDZPTTL-CQSZACIVSA-N 1 0 236.334 3.110 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000012745623 398241550 /nfs/dbraw/zinc/24/15/50/398241550.db2.gz JGCFEDGKDZPTTL-AWEZNQCLSA-N 1 0 236.334 3.110 10 0 BGAERO CCC[N@@H+]1CC[C@H]2c3ccccc3CC[C@@H]2C1 ZINC000013455436 343089133 /nfs/dbraw/zinc/08/91/33/343089133.db2.gz CVPQFQKDTUSMII-GDBMZVCRSA-N 1 0 229.367 3.448 10 0 BGAERO CCCC[N@@H+]1CC[C@@H]2c3ccccc3C[C@@H]2C1 ZINC000013455466 384844636 /nfs/dbraw/zinc/84/46/36/384844636.db2.gz FLQWELWUFIHCPK-ZBFHGGJFSA-N 1 0 229.367 3.448 10 0 BGAERO CCC[NH+](CCC)[C@@H]1Cc2cccc(OC)c2C1 ZINC000013471354 169150596 /nfs/dbraw/zinc/15/05/96/169150596.db2.gz UJEXCOYXKFZVRX-CQSZACIVSA-N 1 0 247.382 3.284 10 0 BGAERO CCC[NH+](CCC)[C@H]1Cc2cccc(OC)c2C1 ZINC000013471356 169152905 /nfs/dbraw/zinc/15/29/05/169152905.db2.gz UJEXCOYXKFZVRX-AWEZNQCLSA-N 1 0 247.382 3.284 10 0 BGAERO CCC[NH+](CCC)[C@@H]1Cc2ccc(OC)cc2C1 ZINC000013471358 169150783 /nfs/dbraw/zinc/15/07/83/169150783.db2.gz IZHPDJHRNYGLPC-OAHLLOKOSA-N 1 0 247.382 3.284 10 0 BGAERO CCC[NH+](CCC)[C@H]1Cc2ccc(OC)cc2C1 ZINC000013471361 343089529 /nfs/dbraw/zinc/08/95/29/343089529.db2.gz IZHPDJHRNYGLPC-HNNXBMFYSA-N 1 0 247.382 3.284 10 0 BGAERO c1ccc2nc(C[NH+]3C4CCC3CC4)ccc2c1 ZINC000013474758 384844001 /nfs/dbraw/zinc/84/40/01/384844001.db2.gz ISCXUFJVQXEICF-UHFFFAOYSA-N 1 0 238.334 3.362 10 0 BGAERO [NH2+]=C(NCc1cccc(Cl)c1)c1ccccc1 ZINC000013487842 181198768 /nfs/dbraw/zinc/19/87/68/181198768.db2.gz AMCWZTJNWRMWDN-UHFFFAOYSA-N 1 0 244.725 3.455 10 0 BGAERO Clc1cccc2c1CCN(c1cc[nH+]cc1)C2 ZINC000013489837 132321850 /nfs/dbraw/zinc/32/18/50/132321850.db2.gz MSAAQJGBKBAPHK-UHFFFAOYSA-N 1 0 244.725 3.298 10 0 BGAERO Clc1ccc2c(c1)CN(c1cc[nH+]cc1)CC2 ZINC000013489839 132322001 /nfs/dbraw/zinc/32/20/01/132322001.db2.gz VODOOGRZQMTBMJ-UHFFFAOYSA-N 1 0 244.725 3.298 10 0 BGAERO [NH2+]=C1Nc2ccc(Cl)cc2[C@H]2CCC[C@@H]12 ZINC000013490265 181340306 /nfs/dbraw/zinc/34/03/06/181340306.db2.gz NAIHDBHWQOJVTF-DTWKUNHWSA-N 1 0 220.703 3.226 10 0 BGAERO CCC[NH2+]C[C@@H](O)c1oc2ccccc2c1CC ZINC000013529376 169262968 /nfs/dbraw/zinc/26/29/68/169262968.db2.gz GEZXOQACQRMLMK-CYBMUJFWSA-N 1 0 247.338 3.028 10 0 BGAERO CCC[NH2+]C[C@H](O)c1oc2ccccc2c1CC ZINC000013529379 169265057 /nfs/dbraw/zinc/26/50/57/169265057.db2.gz GEZXOQACQRMLMK-ZDUSSCGKSA-N 1 0 247.338 3.028 10 0 BGAERO Cc1ccccc1OC[C@H]([NH3+])c1ccccc1 ZINC000013529801 188106093 /nfs/dbraw/zinc/10/60/93/188106093.db2.gz LWPPQUIJVVJEKU-AWEZNQCLSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1ccccc1OC[C@@H]([NH3+])c1ccccc1 ZINC000013529804 343090874 /nfs/dbraw/zinc/09/08/74/343090874.db2.gz LWPPQUIJVVJEKU-CQSZACIVSA-N 1 0 227.307 3.074 10 0 BGAERO [NH3+][C@@H](COc1ccc(Cl)cc1)c1ccccc1 ZINC000013529811 343090890 /nfs/dbraw/zinc/09/08/90/343090890.db2.gz FQAYHCZZIQWNJB-AWEZNQCLSA-N 1 0 247.725 3.419 10 0 BGAERO [NH3+][C@H](COc1ccc(Cl)cc1)c1ccccc1 ZINC000013529814 343090792 /nfs/dbraw/zinc/09/07/92/343090792.db2.gz FQAYHCZZIQWNJB-CQSZACIVSA-N 1 0 247.725 3.419 10 0 BGAERO [NH3+]CCCCCCCCCCCc1c[nH]cn1 ZINC000013531693 343092080 /nfs/dbraw/zinc/09/20/80/343092080.db2.gz AKTMNFPHGGUJFY-UHFFFAOYSA-N 1 0 237.391 3.422 10 0 BGAERO c1nc(CCCCCCCC[NH+]2CCCC2)c[nH]1 ZINC000013531705 343091940 /nfs/dbraw/zinc/09/19/40/343091940.db2.gz UYZUQDLFLZXDNQ-UHFFFAOYSA-N 1 0 249.402 3.389 10 0 BGAERO [NH3+]CCCCCCCCCc1ccccn1 ZINC000013531715 343092022 /nfs/dbraw/zinc/09/20/22/343092022.db2.gz VWLKACVZBHNAND-UHFFFAOYSA-N 1 0 220.360 3.314 10 0 BGAERO CCC[N@H+](C)[C@@H]1CCc2ccc(O)cc2C1(C)C ZINC000013583889 169086703 /nfs/dbraw/zinc/08/67/03/169086703.db2.gz OFCVIMFAFNDMAR-OAHLLOKOSA-N 1 0 247.382 3.326 10 0 BGAERO CCC[N@H+](C)[C@H]1CCc2ccc(O)cc2C1(C)C ZINC000013583891 169087997 /nfs/dbraw/zinc/08/79/97/169087997.db2.gz OFCVIMFAFNDMAR-HNNXBMFYSA-N 1 0 247.382 3.326 10 0 BGAERO C[NH2+]CCCCOc1cccc2ccccc21 ZINC000013588053 173345949 /nfs/dbraw/zinc/34/59/49/173345949.db2.gz JCYQFYGFKORSIY-UHFFFAOYSA-N 1 0 229.323 3.218 10 0 BGAERO [NH2+]=C1Nc2c(F)cc(Cl)cc2[C@H]2CCC[C@@H]12 ZINC000013589478 181340095 /nfs/dbraw/zinc/34/00/95/181340095.db2.gz KIZRQQSPWFKPQM-JGVFFNPUSA-N 1 0 238.693 3.365 10 0 BGAERO C(C[NH2+]Cc1ccccc1)=C1CCCC1 ZINC000013611609 343097572 /nfs/dbraw/zinc/09/75/72/343097572.db2.gz IFVQWJACCSBWAX-UHFFFAOYSA-N 1 0 201.313 3.277 10 0 BGAERO Cc1ccc(Sc2ccccc2C[NH3+])c(N)c1 ZINC000013642308 384861216 /nfs/dbraw/zinc/86/12/16/384861216.db2.gz PEFLMXJNQRODSP-UHFFFAOYSA-N 1 0 244.363 3.187 10 0 BGAERO CCCC[N@@H+]1CCC[C@H](c2cccc(O)c2)C1 ZINC000013651754 384866475 /nfs/dbraw/zinc/86/64/75/384866475.db2.gz ITXBDHMIXPKNIE-AWEZNQCLSA-N 1 0 233.355 3.372 10 0 BGAERO CCCC[N@@H+]1CCC[C@@H](c2cccc(O)c2)C1 ZINC000013651755 384864200 /nfs/dbraw/zinc/86/42/00/384864200.db2.gz ITXBDHMIXPKNIE-CQSZACIVSA-N 1 0 233.355 3.372 10 0 BGAERO c1ccc(C[NH+]2CCC(COC3CC3)CC2)cc1 ZINC000013730212 183396268 /nfs/dbraw/zinc/39/62/68/183396268.db2.gz CTARQXSEHSYSMH-UHFFFAOYSA-N 1 0 245.366 3.078 10 0 BGAERO c1ccc(CCCCC[NH+]2CCCC2)cc1 ZINC000013736080 343102822 /nfs/dbraw/zinc/10/28/22/343102822.db2.gz MMRLVNIMSBPBEB-UHFFFAOYSA-N 1 0 217.356 3.495 10 0 BGAERO CCC[NH+](CCC)[C@@H]1COc2ccccc2C1 ZINC000013737124 169150226 /nfs/dbraw/zinc/15/02/26/169150226.db2.gz AFJZCPCUPUMAIA-AWEZNQCLSA-N 1 0 233.355 3.112 10 0 BGAERO CCC[NH+](CCC)[C@H]1COc2ccccc2C1 ZINC000013737126 169152021 /nfs/dbraw/zinc/15/20/21/169152021.db2.gz AFJZCPCUPUMAIA-CQSZACIVSA-N 1 0 233.355 3.112 10 0 BGAERO CCC[N@@H+]1CCC[C@@H](c2cccc(C=O)c2)C1 ZINC000013738268 169195673 /nfs/dbraw/zinc/19/56/73/169195673.db2.gz UQOWIEJFNPPPBP-OAHLLOKOSA-N 1 0 231.339 3.089 10 0 BGAERO CCC[N@@H+]1CCC[C@@H](c2cccc(C(C)=O)c2)C1 ZINC000013738272 169195845 /nfs/dbraw/zinc/19/58/45/169195845.db2.gz BBRKEERFZOYHTK-MRXNPFEDSA-N 1 0 245.366 3.479 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1N)c1ccc(C)s1 ZINC000013738491 173425538 /nfs/dbraw/zinc/42/55/38/173425538.db2.gz MUZDTHXTSXTYCK-ZDUSSCGKSA-N 1 0 246.379 3.142 10 0 BGAERO C[NH2+][C@H](Cc1ccccc1N)c1ccc(C)s1 ZINC000013738492 173454077 /nfs/dbraw/zinc/45/40/77/173454077.db2.gz MUZDTHXTSXTYCK-CYBMUJFWSA-N 1 0 246.379 3.142 10 0 BGAERO CCCC[C@@H]1CC[C@@H](c2cccnc2)[N@@H+]1C ZINC000013738870 384869755 /nfs/dbraw/zinc/86/97/55/384869755.db2.gz AJQBCKYPIGCEIM-KGLIPLIRSA-N 1 0 218.344 3.407 10 0 BGAERO CCCC[C@H]1CC[C@@H](c2cccnc2)[N@@H+]1C ZINC000013738871 169013807 /nfs/dbraw/zinc/01/38/07/169013807.db2.gz AJQBCKYPIGCEIM-KBPBESRZSA-N 1 0 218.344 3.407 10 0 BGAERO c1c2ccccc2oc1[C@H]1C[NH+]2CCC1CC2 ZINC000013740324 384869746 /nfs/dbraw/zinc/86/97/46/384869746.db2.gz DTDHZMMUUQJYIO-ZDUSSCGKSA-N 1 0 227.307 3.242 10 0 BGAERO c1c2ccccc2oc1[C@@H]1C[NH+]2CCC1CC2 ZINC000013740325 384870167 /nfs/dbraw/zinc/87/01/67/384870167.db2.gz DTDHZMMUUQJYIO-CYBMUJFWSA-N 1 0 227.307 3.242 10 0 BGAERO CCC[NH2+][C@@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741728 169282846 /nfs/dbraw/zinc/28/28/46/169282846.db2.gz HFQNQSPPIPXJLL-GFCCVEGCSA-N 1 0 228.339 3.025 10 0 BGAERO CCC[NH2+][C@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741729 169293026 /nfs/dbraw/zinc/29/30/26/169293026.db2.gz HFQNQSPPIPXJLL-LBPRGKRZSA-N 1 0 228.339 3.025 10 0 BGAERO CCC[N@H+](C)[C@@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741730 169086333 /nfs/dbraw/zinc/08/63/33/169086333.db2.gz WSLVLAZYRCUHNL-CYBMUJFWSA-N 1 0 242.366 3.367 10 0 BGAERO CCC[N@H+](C)[C@H]1CCc2ccc3[nH]ccc3c2C1 ZINC000013741731 169087846 /nfs/dbraw/zinc/08/78/46/169087846.db2.gz WSLVLAZYRCUHNL-ZDUSSCGKSA-N 1 0 242.366 3.367 10 0 BGAERO CCC[NH+](CCC)[C@@H]1CCc2ncccc2C1 ZINC000013742647 343102783 /nfs/dbraw/zinc/10/27/83/343102783.db2.gz YEYNJASJMPEAEX-CQSZACIVSA-N 1 0 232.371 3.061 10 0 BGAERO CCC[NH+](CCC)[C@H]1CCc2ncccc2C1 ZINC000013742648 169152947 /nfs/dbraw/zinc/15/29/47/169152947.db2.gz YEYNJASJMPEAEX-AWEZNQCLSA-N 1 0 232.371 3.061 10 0 BGAERO Cc1cc2ccccc2n1Nc1cc[nH+]cc1 ZINC000013745926 178298545 /nfs/dbraw/zinc/29/85/45/178298545.db2.gz SPGFFOXASUPGGC-UHFFFAOYSA-N 1 0 223.279 3.220 10 0 BGAERO c1ccn([N@@H+](Cc2ccccc2)c2ccncc2)c1 ZINC000013745984 183395998 /nfs/dbraw/zinc/39/59/98/183395998.db2.gz VVERBHUQZJRRIU-UHFFFAOYSA-N 1 0 249.317 3.353 10 0 BGAERO CCC[NH+](CCC)[C@H]1C[C@@H]1c1ccccc1O ZINC000013755508 169152673 /nfs/dbraw/zinc/15/26/73/169152673.db2.gz LARFBOKVMNMLSW-KGLIPLIRSA-N 1 0 233.355 3.370 10 0 BGAERO CCC[NH+](CCC)[C@@H]1C[C@H]1c1ccccc1O ZINC000013755509 169151087 /nfs/dbraw/zinc/15/10/87/169151087.db2.gz LARFBOKVMNMLSW-UONOGXRCSA-N 1 0 233.355 3.370 10 0 BGAERO CCC[NH+](CCC)[C@H]1C[C@@H]1c1cccc(O)c1 ZINC000013755510 169152044 /nfs/dbraw/zinc/15/20/44/169152044.db2.gz SGAIAYHFAITRSL-CABCVRRESA-N 1 0 233.355 3.370 10 0 BGAERO CCC[NH+](CCC)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000013755511 169150102 /nfs/dbraw/zinc/15/01/02/169150102.db2.gz SGAIAYHFAITRSL-LSDHHAIUSA-N 1 0 233.355 3.370 10 0 BGAERO CC1=C(C)c2[nH+]c3ccccc3c(N)c2C1 ZINC000013766049 168086747 /nfs/dbraw/zinc/08/67/47/168086747.db2.gz JDBFUNKEBJSDBO-UHFFFAOYSA-N 1 0 210.280 3.167 10 0 BGAERO [NH3+]CCCCC12CC3CC(CC(C3)C1)C2 ZINC000013777625 181374200 /nfs/dbraw/zinc/37/42/00/181374200.db2.gz ARURJSLYUICTPW-UHFFFAOYSA-N 1 0 207.361 3.332 10 0 BGAERO C[C@]12CC3CC(CC[NH3+])(C1)C[C@@](C)(C3)C2 ZINC000013777629 343104006 /nfs/dbraw/zinc/10/40/06/343104006.db2.gz DZBQIMQORVBIJQ-AKJUYKBHSA-N 1 0 207.361 3.332 10 0 BGAERO C[NH+](C)C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000013777640 384874348 /nfs/dbraw/zinc/87/43/48/384874348.db2.gz KKSJGIYHSAGVMJ-AKJUYKBHSA-N 1 0 207.361 3.297 10 0 BGAERO CC[NH2+]C12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000013777644 170108099 /nfs/dbraw/zinc/10/80/99/170108099.db2.gz FTXVGNKOUJOOHU-AKJUYKBHSA-N 1 0 207.361 3.345 10 0 BGAERO [NH2+]=C1Nc2ccccc2CN1c1ccccc1 ZINC000013780639 132322275 /nfs/dbraw/zinc/32/22/75/132322275.db2.gz AAKLRBVEVQENTE-UHFFFAOYSA-N 1 0 223.279 3.053 10 0 BGAERO [NH3+]CCc1c[nH]c2ccc(C3CCCC3)cc12 ZINC000013782885 181411446 /nfs/dbraw/zinc/41/14/46/181411446.db2.gz ZCKUFKOJCDUQRY-UHFFFAOYSA-N 1 0 228.339 3.327 10 0 BGAERO C[N@@H+]1CCc2ccc3c4c2[C@H]1Cc1cccc(c1-4)C3 ZINC000013806903 173172515 /nfs/dbraw/zinc/17/25/15/173172515.db2.gz PYONGVUMQJAWOL-OAHLLOKOSA-N 1 0 247.341 3.343 10 0 BGAERO Cc1ccc2c(N)c3c([nH+]c2c1)CCCC3 ZINC000013808481 343104492 /nfs/dbraw/zinc/10/44/92/343104492.db2.gz XEAIOWJVFCHDRX-UHFFFAOYSA-N 1 0 212.296 3.004 10 0 BGAERO [NH3+]CCc1ccc(CCCc2ccccc2)cc1 ZINC000013809624 384872060 /nfs/dbraw/zinc/87/20/60/384872060.db2.gz YMVIIWYVJUTVGJ-UHFFFAOYSA-N 1 0 239.362 3.363 10 0 in-vitro BGAERO CCC[N@@H+]1CCC[C@H]2c3c(O)cccc3CC[C@@H]21 ZINC000013819985 169202232 /nfs/dbraw/zinc/20/22/32/169202232.db2.gz PXQVPBZSEWLGIX-KGLIPLIRSA-N 1 0 245.366 3.296 10 0 BGAERO C[NH2+][C@@]12CCCCC[C@@H]1Cc1ccccc12 ZINC000013825966 173441511 /nfs/dbraw/zinc/44/15/11/173441511.db2.gz AIUSXHIDDUSEIA-HIFRSBDPSA-N 1 0 215.340 3.238 10 0 BGAERO C[NH2+][C@@]12CC[C@@H](C)C[C@@H]1Cc1ccccc12 ZINC000013825972 173441227 /nfs/dbraw/zinc/44/12/27/173441227.db2.gz BTDNYXDWDQUUQW-KYOSRNDESA-N 1 0 215.340 3.094 10 0 BGAERO C[NH2+][C@@]12CC[C@H](C)C[C@@H]1Cc1ccccc12 ZINC000013825974 173441501 /nfs/dbraw/zinc/44/15/01/173441501.db2.gz BTDNYXDWDQUUQW-LNSITVRQSA-N 1 0 215.340 3.094 10 0 BGAERO C=CC[NH2+][C@H]1CCc2ccccc2[C@H]1CC=C ZINC000013826014 343105285 /nfs/dbraw/zinc/10/52/85/343105285.db2.gz JONSUOPOTLJXPM-CVEARBPZSA-N 1 0 227.351 3.437 10 0 BGAERO C[C@H]1C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000013826348 177352624 /nfs/dbraw/zinc/35/26/24/177352624.db2.gz VLMZMRDOMOGGFA-PSOPSSQASA-N 1 0 240.350 3.148 10 0 BGAERO CCC[N@@H+]1CC[C@@H]2c3c(cccc3OC)CC[C@@H]21 ZINC000013826500 169206578 /nfs/dbraw/zinc/20/65/78/169206578.db2.gz HPUKPOAWHHZLIX-KBPBESRZSA-N 1 0 245.366 3.209 10 0 BGAERO CCC[N@@H+]1CC[C@H]2c3c(cccc3OC)CC[C@H]21 ZINC000013826502 169209061 /nfs/dbraw/zinc/20/90/61/169209061.db2.gz HPUKPOAWHHZLIX-ZIAGYGMSSA-N 1 0 245.366 3.209 10 0 BGAERO CCC[N@@H+]1CC[C@H]2c3ccccc3CC[C@H]21 ZINC000013826507 169208787 /nfs/dbraw/zinc/20/87/87/169208787.db2.gz ANSBSVSYIULXCZ-LSDHHAIUSA-N 1 0 215.340 3.201 10 0 BGAERO C[NH+]1CCC(Cc2c[nH]c3ccc(F)cc23)CC1 ZINC000013826858 343105269 /nfs/dbraw/zinc/10/52/69/343105269.db2.gz XDSKCHPSIVKGHH-UHFFFAOYSA-N 1 0 246.329 3.191 10 0 BGAERO c1ccc2c(c1)C[C@H]1[NH2+]C[C@@H]2c2ccccc21 ZINC000013831940 384878258 /nfs/dbraw/zinc/87/82/58/384878258.db2.gz HWPDIGZXZMCJHZ-JKSUJKDBSA-N 1 0 221.303 3.019 10 0 BGAERO C[NH2+][C@]12CCCC[C@H]1Sc1ccccc12 ZINC000013831961 384877841 /nfs/dbraw/zinc/87/78/41/384877841.db2.gz UJAGPRIPNDJMED-OLZOCXBDSA-N 1 0 219.353 3.150 10 0 BGAERO C[NH2+][C@]12CCCC[C@H]1CCc1ccccc12 ZINC000013831964 384875445 /nfs/dbraw/zinc/87/54/45/384875445.db2.gz PKFYGNRBXOMAQD-DZGCQCFKSA-N 1 0 215.340 3.238 10 0 BGAERO C[NH2+][C@@]12CCCC[C@@H]1CCc1ccccc12 ZINC000013831965 173441639 /nfs/dbraw/zinc/44/16/39/173441639.db2.gz PKFYGNRBXOMAQD-HIFRSBDPSA-N 1 0 215.340 3.238 10 0 BGAERO C[C@@H]1C[C@@H]2CC=CC[C@]2([NH3+])c2ccccc21 ZINC000013831980 343105644 /nfs/dbraw/zinc/10/56/44/343105644.db2.gz YNGOOJPAPKPVGN-TYNCELHUSA-N 1 0 213.324 3.314 10 0 BGAERO CC(C)c1cccc(C(C)C)c1NC1=[NH+]CCN1 ZINC000013835985 343106004 /nfs/dbraw/zinc/10/60/04/343106004.db2.gz ZVMKHMLLALLVED-UHFFFAOYSA-N 1 0 245.370 3.305 10 0 BGAERO Clc1cccc2c1C=C(C[C@@H]1C[NH+]=CN1)CC2 ZINC000013862054 180592093 /nfs/dbraw/zinc/59/20/93/180592093.db2.gz MBYRWLFNVFMLCK-GFCCVEGCSA-N 1 0 246.741 3.060 10 0 BGAERO Clc1cccc2c1C=C(C[C@H]1C[NH+]=CN1)CC2 ZINC000013862055 180591789 /nfs/dbraw/zinc/59/17/89/180591789.db2.gz MBYRWLFNVFMLCK-LBPRGKRZSA-N 1 0 246.741 3.060 10 0 BGAERO CC1(C)CC(C[C@@H]2C[NH+]=CN2)=Cc2ccccc21 ZINC000013862106 167888112 /nfs/dbraw/zinc/88/81/12/167888112.db2.gz VUEUPAZWNIDHOX-CQSZACIVSA-N 1 0 240.350 3.142 10 0 BGAERO CC1(C)CC(C[C@H]2C[NH+]=CN2)=Cc2ccccc21 ZINC000013862107 384880333 /nfs/dbraw/zinc/88/03/33/384880333.db2.gz VUEUPAZWNIDHOX-AWEZNQCLSA-N 1 0 240.350 3.142 10 0 BGAERO Cc1ccc2c(c1)[C@@]1(C)[NH2+][C@@H](C2)c2ccccc21 ZINC000013886742 343107167 /nfs/dbraw/zinc/10/71/67/343107167.db2.gz DGTUVJAVPZIMON-IRXDYDNUSA-N 1 0 235.330 3.459 10 0 BGAERO c1cc([C@H](C2=[NH+]CCN2)C2CCCCC2)cs1 ZINC000013975982 183362277 /nfs/dbraw/zinc/36/22/77/183362277.db2.gz XHSHPURENAXGEC-CYBMUJFWSA-N 1 0 248.395 3.414 10 0 BGAERO C[C@H]1C[NH2+]CCc2ccc(Cl)c(Cl)c21 ZINC000013978821 177284763 /nfs/dbraw/zinc/28/47/63/177284763.db2.gz VUYGFWKOVMRUIC-ZETCQYMHSA-N 1 0 230.138 3.243 10 0 BGAERO C[C@H]1C[NH2+]CCc2c(Cl)cc(Cl)cc21 ZINC000014208605 177284853 /nfs/dbraw/zinc/28/48/53/177284853.db2.gz LVDZEHWRCDOGFA-ZETCQYMHSA-N 1 0 230.138 3.243 10 0 BGAERO C[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@@H+](C)C1 ZINC000014583996 384928117 /nfs/dbraw/zinc/92/81/17/384928117.db2.gz YOZGACBWDKFAAD-MEBBXXQBSA-N 1 0 238.334 3.058 10 0 BGAERO CC(C)C[C@H]1[NH2+]CCc2c3ccccc3[nH]c21 ZINC000014593034 188253803 /nfs/dbraw/zinc/25/38/03/188253803.db2.gz XGCZMXRLVHTZLR-CQSZACIVSA-N 1 0 228.339 3.401 10 0 BGAERO CCC[C@H]1CCCCCCCC(=O)OCC[NH2+]1 ZINC000014680506 169523258 /nfs/dbraw/zinc/52/32/58/169523258.db2.gz QYUAIHHWMFYMIS-ZDUSSCGKSA-N 1 0 241.375 3.032 10 0 BGAERO CC1(C)CC(=O)CC(C)(C)[NH+]1Cc1ccccc1 ZINC000014764786 517504494 /nfs/dbraw/zinc/50/44/94/517504494.db2.gz HPZOTZJFJNIVCS-UHFFFAOYSA-N 1 0 245.366 3.409 10 0 BGAERO C[N@H+](CCCc1ccccc1)Cc1ccc[nH]1 ZINC000014959053 343136243 /nfs/dbraw/zinc/13/62/43/343136243.db2.gz VRVKOFWAERZEIX-UHFFFAOYSA-N 1 0 228.339 3.079 10 0 BGAERO C[N@H+](CCCCc1ccccc1)Cc1ccc[nH]1 ZINC000014959057 343136099 /nfs/dbraw/zinc/13/60/99/343136099.db2.gz XTGCHRQZDOHQJV-UHFFFAOYSA-N 1 0 242.366 3.469 10 0 BGAERO C[C@H](c1ccccc1)[N@H+](C)Cc1ccc[nH]1 ZINC000014959069 177038982 /nfs/dbraw/zinc/03/89/82/177038982.db2.gz MATHJIWIZSVRKN-GFCCVEGCSA-N 1 0 214.312 3.208 10 0 BGAERO C[C@@H](c1ccccc1)[N@H+](C)Cc1ccc[nH]1 ZINC000014959073 176020887 /nfs/dbraw/zinc/02/08/87/176020887.db2.gz MATHJIWIZSVRKN-LBPRGKRZSA-N 1 0 214.312 3.208 10 0 BGAERO C[C@H](C1CCCCC1)[N@H+](C)Cc1ccc[nH]1 ZINC000014959089 343136474 /nfs/dbraw/zinc/13/64/74/343136474.db2.gz HYZGPTYBESHBBA-GFCCVEGCSA-N 1 0 220.360 3.415 10 0 BGAERO Fc1ccc([C@H]2C[NH2+]Cc3cc(F)ccc32)cc1 ZINC000014984325 363366635 /nfs/dbraw/zinc/36/66/35/363366635.db2.gz ROYOHGZACUQLPI-OAHLLOKOSA-N 1 0 245.272 3.200 10 0 BGAERO [NH3+][C@H](c1ccc2c(c1)CCC2)C1CCCC1 ZINC000015014380 181632500 /nfs/dbraw/zinc/63/25/00/181632500.db2.gz XPSXPHMSDFRHCI-HNNXBMFYSA-N 1 0 215.340 3.365 10 0 BGAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)C1CCCC1 ZINC000015014382 363474566 /nfs/dbraw/zinc/47/45/66/363474566.db2.gz XPSXPHMSDFRHCI-OAHLLOKOSA-N 1 0 215.340 3.365 10 0 BGAERO [NH3+][C@H](c1ccc2c(c1)OCCCO2)C1CCCC1 ZINC000015014397 181632391 /nfs/dbraw/zinc/63/23/91/181632391.db2.gz QCLZCLVVLCBRDU-HNNXBMFYSA-N 1 0 247.338 3.038 10 0 BGAERO C[NH2+]CC[C@@H](Oc1ccccc1)c1ccccc1 ZINC000015449297 173358600 /nfs/dbraw/zinc/35/86/00/173358600.db2.gz DMOUAPYFRKLFHO-MRXNPFEDSA-N 1 0 241.334 3.416 10 0 in-man BGAERO CCC(CC)(c1ccccc1)[NH+]1CCOCC1 ZINC000015780378 168332217 /nfs/dbraw/zinc/33/22/17/168332217.db2.gz MRBMPKWTYMRFQR-UHFFFAOYSA-N 1 0 233.355 3.034 10 0 BGAERO CCC(CC)(Cc1ccccc1)[NH+]1CCOCC1 ZINC000015780888 168329875 /nfs/dbraw/zinc/32/98/75/168329875.db2.gz LPRJLUUDSMRKTK-UHFFFAOYSA-N 1 0 247.382 3.120 10 0 BGAERO CC(C)([NH3+])Cc1ccc(C(C)(C)C)cc1 ZINC000016712063 187485761 /nfs/dbraw/zinc/48/57/61/187485761.db2.gz GLHUTVSGOSIQJC-UHFFFAOYSA-N 1 0 205.345 3.264 10 0 BGAERO CC(C)(C)c1ccc(CC2([NH3+])CC2)cc1 ZINC000016712066 188170322 /nfs/dbraw/zinc/17/03/22/188170322.db2.gz AAHODVLLSRNEKZ-UHFFFAOYSA-N 1 0 203.329 3.018 10 0 BGAERO CC(C)(C)c1ccc(CC2([NH3+])CCC2)cc1 ZINC000016712069 187587888 /nfs/dbraw/zinc/58/78/88/187587888.db2.gz OJFRDPBKPXCALD-UHFFFAOYSA-N 1 0 217.356 3.408 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])CCc1ccco1 ZINC000016739187 175080552 /nfs/dbraw/zinc/08/05/52/175080552.db2.gz YMSCCTGRJPDMKE-AWEZNQCLSA-N 1 0 245.322 3.229 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])CCc1ccco1 ZINC000016739188 175082239 /nfs/dbraw/zinc/08/22/39/175082239.db2.gz YMSCCTGRJPDMKE-CQSZACIVSA-N 1 0 245.322 3.229 10 0 BGAERO Cc1cccc(CC2([NH3+])CCCCC2)c1 ZINC000016745501 179052478 /nfs/dbraw/zinc/05/24/78/179052478.db2.gz RWCCIGRFIYOWOO-UHFFFAOYSA-N 1 0 203.329 3.199 10 0 BGAERO Cc1ccccc1CC1([NH3+])CCCCC1 ZINC000016745961 179259966 /nfs/dbraw/zinc/25/99/66/179259966.db2.gz UKBWBTSTYMNPTP-UHFFFAOYSA-N 1 0 203.329 3.199 10 0 BGAERO [NH3+]C1(Cc2c(F)cccc2Cl)CCCC1 ZINC000016755093 181332946 /nfs/dbraw/zinc/33/29/46/181332946.db2.gz AIVHCNYWZDNGIG-UHFFFAOYSA-N 1 0 227.710 3.293 10 0 BGAERO [NH3+]C1(Cc2cccc(Cl)c2)CCCC1 ZINC000016755395 181333032 /nfs/dbraw/zinc/33/30/32/181333032.db2.gz BITVHDQHAOGLFP-UHFFFAOYSA-N 1 0 209.720 3.154 10 0 BGAERO [NH3+]C1(Cc2ccc(Cl)cc2)CCCC1 ZINC000016764309 181332774 /nfs/dbraw/zinc/33/27/74/181332774.db2.gz KNSBCMDGUHKQDD-UHFFFAOYSA-N 1 0 209.720 3.154 10 0 BGAERO [NH3+]C1(Cc2ccc(F)cc2)CCCCC1 ZINC000016764317 181332884 /nfs/dbraw/zinc/33/28/84/181332884.db2.gz LECVHPJSUFTKJP-UHFFFAOYSA-N 1 0 207.292 3.030 10 0 BGAERO [NH3+]C1(Cc2ccccc2Cl)CCCC1 ZINC000016771335 181332124 /nfs/dbraw/zinc/33/21/24/181332124.db2.gz DFUUIZKCKKEECQ-UHFFFAOYSA-N 1 0 209.720 3.154 10 0 BGAERO [NH3+]C1(Cc2ccccc2F)CCCCC1 ZINC000016771340 181331870 /nfs/dbraw/zinc/33/18/70/181331870.db2.gz WJXFWAQRENNYRC-UHFFFAOYSA-N 1 0 207.292 3.030 10 0 BGAERO CCc1ccc(CC([NH3+])(CC)CC)cc1 ZINC000016872998 171790217 /nfs/dbraw/zinc/79/02/17/171790217.db2.gz KFRFBXCERDIRIE-UHFFFAOYSA-N 1 0 205.345 3.309 10 0 BGAERO CCc1ccc(CC2([NH3+])CCCC2)cc1 ZINC000016873001 171790194 /nfs/dbraw/zinc/79/01/94/171790194.db2.gz XDWAFEVVINNKFN-UHFFFAOYSA-N 1 0 203.329 3.063 10 0 BGAERO CC[C@H](C)C[C@](CC)(CN)[N@@H+]1CCCC[C@@H]1C ZINC000019232968 171299309 /nfs/dbraw/zinc/29/93/09/171299309.db2.gz UQRQHADLTNLWHF-SOUVJXGZSA-N 1 0 240.435 3.405 10 0 BGAERO COc1cccc(O[C@@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000019255344 175284056 /nfs/dbraw/zinc/28/40/56/175284056.db2.gz LCCFCQBXOOQMRL-LSDHHAIUSA-N 1 0 249.354 3.124 10 0 BGAERO COc1cccc(O[C@H]2CCCCCC[C@@H]2[NH3+])c1 ZINC000019255346 175284636 /nfs/dbraw/zinc/28/46/36/175284636.db2.gz LCCFCQBXOOQMRL-GJZGRUSLSA-N 1 0 249.354 3.124 10 0 BGAERO COc1cccc(O[C@@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000019255348 175283840 /nfs/dbraw/zinc/28/38/40/175283840.db2.gz LCCFCQBXOOQMRL-HUUCEWRRSA-N 1 0 249.354 3.124 10 0 BGAERO COc1cccc(O[C@H]2CCCCCC[C@H]2[NH3+])c1 ZINC000019255350 175285001 /nfs/dbraw/zinc/28/50/01/175285001.db2.gz LCCFCQBXOOQMRL-CABCVRRESA-N 1 0 249.354 3.124 10 0 BGAERO CC[NH+](CC)C[C@@H](N)c1cccc2ccccc21 ZINC000019256697 343140627 /nfs/dbraw/zinc/14/06/27/343140627.db2.gz ZJBBJVINPKRQOM-MRXNPFEDSA-N 1 0 242.366 3.181 10 0 BGAERO CC[NH+](CC)C[C@H](N)c1cccc2ccccc21 ZINC000019256700 343141065 /nfs/dbraw/zinc/14/10/65/343141065.db2.gz ZJBBJVINPKRQOM-INIZCTEOSA-N 1 0 242.366 3.181 10 0 BGAERO Cc1ccc([C@H](N)C[N@@H+](C)C2CCCCC2)cc1 ZINC000019257445 178906515 /nfs/dbraw/zinc/90/65/15/178906515.db2.gz IMOVISOMXLNWGI-MRXNPFEDSA-N 1 0 246.398 3.259 10 0 BGAERO CCC[NH+](CCC)C[C@@H](N)c1ccccc1C ZINC000019258914 169146881 /nfs/dbraw/zinc/14/68/81/169146881.db2.gz KTJLDPOOCSUOLU-OAHLLOKOSA-N 1 0 234.387 3.117 10 0 BGAERO CCC[NH+](CCC)C[C@H](N)c1ccccc1C ZINC000019258916 169149388 /nfs/dbraw/zinc/14/93/88/169149388.db2.gz KTJLDPOOCSUOLU-HNNXBMFYSA-N 1 0 234.387 3.117 10 0 BGAERO COc1ccc([C@H]([NH3+])COC2CCCCC2)cc1 ZINC000019259619 175191748 /nfs/dbraw/zinc/19/17/48/175191748.db2.gz PFYQIZAMZHULKB-OAHLLOKOSA-N 1 0 249.354 3.044 10 0 BGAERO Cc1ccc(C)c(OC[C@@H]([NH3+])C(C)(C)C)c1 ZINC000019259815 178490132 /nfs/dbraw/zinc/49/01/32/178490132.db2.gz YFYKVNLCOTWUMU-CYBMUJFWSA-N 1 0 221.344 3.056 10 0 BGAERO Cc1ccc(C)c(OC[C@H]([NH3+])C(C)(C)C)c1 ZINC000019259817 178489599 /nfs/dbraw/zinc/48/95/99/178489599.db2.gz YFYKVNLCOTWUMU-ZDUSSCGKSA-N 1 0 221.344 3.056 10 0 BGAERO C[C@H]([NH3+])c1cccc(NC(=O)CC2CCCC2)c1 ZINC000019260622 176777586 /nfs/dbraw/zinc/77/75/86/176777586.db2.gz FOWCLGDHOSGKNH-NSHDSACASA-N 1 0 246.354 3.225 10 0 BGAERO CC(C)[N@H+](C)C[C@H](N)c1cccc2ccccc21 ZINC000019262222 188106872 /nfs/dbraw/zinc/10/68/72/188106872.db2.gz YTOLNSIMHABMKX-INIZCTEOSA-N 1 0 242.366 3.180 10 0 BGAERO CC(C)OC[C@@H]([NH3+])c1ccc2ccccc2c1 ZINC000019264246 167258680 /nfs/dbraw/zinc/25/86/80/167258680.db2.gz MNVAOFQQWCSPRS-OAHLLOKOSA-N 1 0 229.323 3.265 10 0 BGAERO CC(C)OC[C@H]([NH3+])c1ccc2ccccc2c1 ZINC000019264249 167267811 /nfs/dbraw/zinc/26/78/11/167267811.db2.gz MNVAOFQQWCSPRS-HNNXBMFYSA-N 1 0 229.323 3.265 10 0 BGAERO CC(C)OC[C@@H]([NH3+])c1cccc2ccccc21 ZINC000019264553 167258068 /nfs/dbraw/zinc/25/80/68/167258068.db2.gz VBTXHBHMOYWCBT-OAHLLOKOSA-N 1 0 229.323 3.265 10 0 BGAERO CC(C)OC[C@H]([NH3+])c1cccc2ccccc21 ZINC000019264555 167267992 /nfs/dbraw/zinc/26/79/92/167267992.db2.gz VBTXHBHMOYWCBT-HNNXBMFYSA-N 1 0 229.323 3.265 10 0 BGAERO [NH3+]Cc1ccc(COc2ccc(F)cc2)c(F)c1 ZINC000019265314 181482359 /nfs/dbraw/zinc/48/23/59/181482359.db2.gz IZCRTJWSYMQFFC-UHFFFAOYSA-N 1 0 249.260 3.003 10 0 BGAERO c1ccc2[nH]c([C@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000019265603 183436865 /nfs/dbraw/zinc/43/68/65/183436865.db2.gz FTUQXJHPJLCOIY-COPLHBTASA-N 1 0 241.338 3.156 10 0 BGAERO [NH3+]Cc1ccc(COc2ccccc2F)c(F)c1 ZINC000019266512 181482405 /nfs/dbraw/zinc/48/24/05/181482405.db2.gz JFMCGHFYYYHIKC-UHFFFAOYSA-N 1 0 249.260 3.003 10 0 BGAERO CCC(CC)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000019266665 168340925 /nfs/dbraw/zinc/34/09/25/168340925.db2.gz NVNLQFJPNLFVPK-SNVBAGLBSA-N 1 0 234.343 3.081 10 0 BGAERO CCC(CC)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000019266667 168341305 /nfs/dbraw/zinc/34/13/05/168341305.db2.gz NVNLQFJPNLFVPK-JTQLQIEISA-N 1 0 234.343 3.081 10 0 BGAERO Cc1cc2ncn(C[C@@H]([NH3+])C(C)(C)C)c2cc1C ZINC000019266914 178304818 /nfs/dbraw/zinc/30/48/18/178304818.db2.gz KLTOSDUJSWOROC-CQSZACIVSA-N 1 0 245.370 3.027 10 0 BGAERO Cc1cc2ncn(C[C@H]([NH3+])C(C)(C)C)c2cc1C ZINC000019266916 178305702 /nfs/dbraw/zinc/30/57/02/178305702.db2.gz KLTOSDUJSWOROC-AWEZNQCLSA-N 1 0 245.370 3.027 10 0 BGAERO CC(C)C[C@@H](C)OCc1cc(C[NH3+])ccc1F ZINC000019268001 187251836 /nfs/dbraw/zinc/25/18/36/187251836.db2.gz VRKBUASVWFPUNG-LLVKDONJSA-N 1 0 239.334 3.236 10 0 BGAERO CC(C)C[C@H](C)OCc1cccc(C[NH3+])c1 ZINC000019269041 188281055 /nfs/dbraw/zinc/28/10/55/188281055.db2.gz DKQGTKHPNSKZAL-LBPRGKRZSA-N 1 0 221.344 3.097 10 0 BGAERO CCC[C@@H]([NH3+])[C@@H](CC)n1c(C)nc2ccccc21 ZINC000019269805 169392665 /nfs/dbraw/zinc/39/26/65/169392665.db2.gz QPKUOCBKIBARPS-TZMCWYRMSA-N 1 0 245.370 3.423 10 0 BGAERO CCC[C@@H]([NH3+])[C@H](CC)n1c(C)nc2ccccc21 ZINC000019269809 169392968 /nfs/dbraw/zinc/39/29/68/169392968.db2.gz QPKUOCBKIBARPS-OCCSQVGLSA-N 1 0 245.370 3.423 10 0 BGAERO CCN(C[C@H](C)[NH3+])c1cccc2ccccc21 ZINC000019270190 169890262 /nfs/dbraw/zinc/89/02/62/169890262.db2.gz UMMHVRSKEANUQB-LBPRGKRZSA-N 1 0 228.339 3.013 10 0 BGAERO CC1CCC(OC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000019270301 168167986 /nfs/dbraw/zinc/16/79/86/168167986.db2.gz DQNJONLHQXEBSF-PESDSKBTSA-N 1 0 233.355 3.282 10 0 BGAERO CC1CCC(OC[C@H]([NH3+])c2ccccc2)CC1 ZINC000019270303 168168152 /nfs/dbraw/zinc/16/81/52/168168152.db2.gz DQNJONLHQXEBSF-ZALBZXLWSA-N 1 0 233.355 3.282 10 0 BGAERO COc1cc(C)ccc1O[C@@H]1CCCCC[C@H]1[NH3+] ZINC000019270420 174970433 /nfs/dbraw/zinc/97/04/33/174970433.db2.gz WXKAPDPVZXXBTI-CHWSQXEVSA-N 1 0 249.354 3.042 10 0 BGAERO Cc1ccccc1OCc1ccc(C[NH3+])cc1F ZINC000019271226 188106990 /nfs/dbraw/zinc/10/69/90/188106990.db2.gz JDBFTYXBRVUYFE-UHFFFAOYSA-N 1 0 245.297 3.172 10 0 BGAERO C[C@@H]([NH3+])c1cccc(OCc2ccccc2F)c1 ZINC000019271483 175818213 /nfs/dbraw/zinc/81/82/13/175818213.db2.gz ZNRMQOBACYPBKJ-LLVKDONJSA-N 1 0 245.297 3.424 10 0 BGAERO C[C@H]([NH3+])c1cccc(OCc2ccccc2F)c1 ZINC000019271484 176777207 /nfs/dbraw/zinc/77/72/07/176777207.db2.gz ZNRMQOBACYPBKJ-NSHDSACASA-N 1 0 245.297 3.424 10 0 BGAERO CC(C)C[C@@H](C)OCc1ccc(C[NH3+])cc1 ZINC000019271652 187588015 /nfs/dbraw/zinc/58/80/15/187588015.db2.gz YFKMSKNGZWMBJT-GFCCVEGCSA-N 1 0 221.344 3.097 10 0 BGAERO [NH3+]Cc1ccc(F)c(COC2CCCCC2)c1 ZINC000019272531 181483825 /nfs/dbraw/zinc/48/38/25/181483825.db2.gz RIPDCRGZXXXBSG-UHFFFAOYSA-N 1 0 237.318 3.134 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OCc1ccccc1C[NH3+] ZINC000019273819 176082479 /nfs/dbraw/zinc/08/24/79/176082479.db2.gz PMKWTVCCZATSLS-DOMZBBRYSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCCC[C@@H]1OCc1ccccc1C[NH3+] ZINC000019273821 177084230 /nfs/dbraw/zinc/08/42/30/177084230.db2.gz PMKWTVCCZATSLS-WFASDCNBSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1CCCC[C@H]1OCc1ccccc1C[NH3+] ZINC000019273824 176090644 /nfs/dbraw/zinc/09/06/44/176090644.db2.gz PMKWTVCCZATSLS-IUODEOHRSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCCC[C@H]1OCc1ccccc1C[NH3+] ZINC000019273826 177090355 /nfs/dbraw/zinc/09/03/55/177090355.db2.gz PMKWTVCCZATSLS-SWLSCSKDSA-N 1 0 233.355 3.241 10 0 BGAERO Cc1ccc(C(C)C)c(OCCCC[NH3+])c1 ZINC000019275044 178452201 /nfs/dbraw/zinc/45/22/01/178452201.db2.gz JEJMHXYKZLTOKT-UHFFFAOYSA-N 1 0 221.344 3.236 10 0 BGAERO CC(C)CCO[C@@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000019276400 166879690 /nfs/dbraw/zinc/87/96/90/166879690.db2.gz KGZYCBMSWQINTG-HZPDHXFCSA-N 1 0 247.382 3.454 10 0 BGAERO CC(C)CCO[C@H]1CCCc2ccccc2[C@H]1[NH3+] ZINC000019276402 166882048 /nfs/dbraw/zinc/88/20/48/166882048.db2.gz KGZYCBMSWQINTG-JKSUJKDBSA-N 1 0 247.382 3.454 10 0 BGAERO CC(C)C[C@H](C)OCc1ccccc1C[NH3+] ZINC000019276485 188460991 /nfs/dbraw/zinc/46/09/91/188460991.db2.gz RFIWGCWXTSMYTO-LBPRGKRZSA-N 1 0 221.344 3.097 10 0 BGAERO CCCOc1ccccc1O[C@@H]1CCCC[C@@H]1[NH3+] ZINC000019276895 169327693 /nfs/dbraw/zinc/32/76/93/169327693.db2.gz AIXASHSHVQBQNS-QWHCGFSZSA-N 1 0 249.354 3.124 10 0 BGAERO CCCOc1ccccc1O[C@H]1CCCC[C@@H]1[NH3+] ZINC000019276897 169327524 /nfs/dbraw/zinc/32/75/24/169327524.db2.gz AIXASHSHVQBQNS-STQMWFEESA-N 1 0 249.354 3.124 10 0 BGAERO CCCOc1ccccc1O[C@@H]1CCCC[C@H]1[NH3+] ZINC000019276899 169327456 /nfs/dbraw/zinc/32/74/56/169327456.db2.gz AIXASHSHVQBQNS-CHWSQXEVSA-N 1 0 249.354 3.124 10 0 BGAERO CCCOc1ccccc1O[C@H]1CCCC[C@H]1[NH3+] ZINC000019276901 169327292 /nfs/dbraw/zinc/32/72/92/169327292.db2.gz AIXASHSHVQBQNS-OLZOCXBDSA-N 1 0 249.354 3.124 10 0 BGAERO CC1CCC(OCc2ccc(C[NH3+])cc2)CC1 ZINC000019278311 168168607 /nfs/dbraw/zinc/16/86/07/168168607.db2.gz AXINHJRUQHQHCR-UHFFFAOYSA-N 1 0 233.355 3.241 10 0 BGAERO CCCCCOc1cccc([C@@H](C)[NH3+])c1 ZINC000019279412 168731240 /nfs/dbraw/zinc/73/12/40/168731240.db2.gz MHJWMBCFGNIOCX-LLVKDONJSA-N 1 0 207.317 3.275 10 0 BGAERO CCCCCOc1cccc([C@H](C)[NH3+])c1 ZINC000019279414 168730637 /nfs/dbraw/zinc/73/06/37/168730637.db2.gz MHJWMBCFGNIOCX-NSHDSACASA-N 1 0 207.317 3.275 10 0 BGAERO Cc1ccc(O[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000019280344 259373025 /nfs/dbraw/zinc/37/30/25/259373025.db2.gz XNOQWBZBNZMHJI-KBPBESRZSA-N 1 0 219.328 3.034 10 0 BGAERO Cc1ccc(O[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000019280346 259372841 /nfs/dbraw/zinc/37/28/41/259372841.db2.gz XNOQWBZBNZMHJI-ZIAGYGMSSA-N 1 0 219.328 3.034 10 0 BGAERO Cc1ccc(O[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000019280349 259372876 /nfs/dbraw/zinc/37/28/76/259372876.db2.gz XNOQWBZBNZMHJI-KGLIPLIRSA-N 1 0 219.328 3.034 10 0 BGAERO Cc1nccn1C[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000019280438 180268609 /nfs/dbraw/zinc/26/86/09/180268609.db2.gz GDHMYJQQGBRRCN-HNNXBMFYSA-N 1 0 243.354 3.015 10 0 BGAERO Cc1nccn1C[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000019280440 180265248 /nfs/dbraw/zinc/26/52/48/180265248.db2.gz GDHMYJQQGBRRCN-OAHLLOKOSA-N 1 0 243.354 3.015 10 0 BGAERO CC(C)OC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019280685 167258074 /nfs/dbraw/zinc/25/80/74/167258074.db2.gz LDDLOYRZONKAAQ-LLVKDONJSA-N 1 0 247.260 3.130 10 0 BGAERO CC(C)OC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000019280687 167268332 /nfs/dbraw/zinc/26/83/32/167268332.db2.gz LDDLOYRZONKAAQ-NSHDSACASA-N 1 0 247.260 3.130 10 0 BGAERO CC(C)COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019280937 187252158 /nfs/dbraw/zinc/25/21/58/187252158.db2.gz ZWSBJOBWDNHTMZ-UHFFFAOYSA-N 1 0 231.339 3.098 10 0 BGAERO CCCN(CCC)C[NH+](CCC)CCC ZINC000019319190 169147241 /nfs/dbraw/zinc/14/72/41/169147241.db2.gz NGCFMKFMMGSXJO-UHFFFAOYSA-N 1 0 214.397 3.188 10 0 BGAERO CCCN1CC[N@H+](CCC)[C@H](c2ccccc2)C1 ZINC000019366320 343561983 /nfs/dbraw/zinc/56/19/83/343561983.db2.gz HJAGGLMHNICIHN-INIZCTEOSA-N 1 0 246.398 3.165 10 0 BGAERO CC(C)CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000019386591 187761808 /nfs/dbraw/zinc/76/18/08/187761808.db2.gz GFVRXGVQEQBYRA-HRCADAONSA-N 1 0 247.382 3.323 10 0 BGAERO CC(C)CO[C@H]1C[C@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000019386598 187313452 /nfs/dbraw/zinc/31/34/52/187313452.db2.gz GFVRXGVQEQBYRA-PMPSAXMXSA-N 1 0 247.382 3.323 10 0 BGAERO CCC(CC)C(=O)Nc1ccccc1[C@@H](C)[NH3+] ZINC000019386744 168341910 /nfs/dbraw/zinc/34/19/10/168341910.db2.gz KYRMOBFSLBSKRL-SNVBAGLBSA-N 1 0 234.343 3.081 10 0 BGAERO CCC(CC)C(=O)Nc1ccccc1[C@H](C)[NH3+] ZINC000019386746 168341721 /nfs/dbraw/zinc/34/17/21/168341721.db2.gz KYRMOBFSLBSKRL-JTQLQIEISA-N 1 0 234.343 3.081 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1Oc1cccc2ccccc21 ZINC000019386871 181574618 /nfs/dbraw/zinc/57/46/18/181574618.db2.gz MRFPLKSDDDSKQV-ZBFHGGJFSA-N 1 0 241.334 3.489 10 0 BGAERO Cc1cc(OCCCC[NH3+])ccc1C(C)C ZINC000019387013 178210019 /nfs/dbraw/zinc/21/00/19/178210019.db2.gz QVIQKKQJBRIXDW-UHFFFAOYSA-N 1 0 221.344 3.236 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OCc1cccc(C[NH3+])c1 ZINC000019388638 176082768 /nfs/dbraw/zinc/08/27/68/176082768.db2.gz HZNLHPLDTZEETB-DOMZBBRYSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCCC[C@@H]1OCc1cccc(C[NH3+])c1 ZINC000019388641 177084548 /nfs/dbraw/zinc/08/45/48/177084548.db2.gz HZNLHPLDTZEETB-WFASDCNBSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1CCCC[C@H]1OCc1cccc(C[NH3+])c1 ZINC000019388644 176089973 /nfs/dbraw/zinc/08/99/73/176089973.db2.gz HZNLHPLDTZEETB-IUODEOHRSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCCC[C@H]1OCc1cccc(C[NH3+])c1 ZINC000019388647 177090703 /nfs/dbraw/zinc/09/07/03/177090703.db2.gz HZNLHPLDTZEETB-SWLSCSKDSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H](OCc1cccc(C[NH3+])c1)c1ccccc1 ZINC000019389735 176003173 /nfs/dbraw/zinc/00/31/73/176003173.db2.gz UJJCHSMWWAOSAV-CYBMUJFWSA-N 1 0 241.334 3.423 10 0 BGAERO C[C@H](OCc1cccc(C[NH3+])c1)c1ccccc1 ZINC000019389737 177021899 /nfs/dbraw/zinc/02/18/99/177021899.db2.gz UJJCHSMWWAOSAV-ZDUSSCGKSA-N 1 0 241.334 3.423 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC000019389964 176083013 /nfs/dbraw/zinc/08/30/13/176083013.db2.gz YDAJCDIWJJWVBY-DOMZBBRYSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCCC[C@@H]1OCc1ccc(C[NH3+])cc1 ZINC000019389967 177084059 /nfs/dbraw/zinc/08/40/59/177084059.db2.gz YDAJCDIWJJWVBY-WFASDCNBSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1CCCC[C@H]1OCc1ccc(C[NH3+])cc1 ZINC000019389969 176090399 /nfs/dbraw/zinc/09/03/99/176090399.db2.gz YDAJCDIWJJWVBY-IUODEOHRSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCCC[C@H]1OCc1ccc(C[NH3+])cc1 ZINC000019389972 177090089 /nfs/dbraw/zinc/09/00/89/177090089.db2.gz YDAJCDIWJJWVBY-SWLSCSKDSA-N 1 0 233.355 3.241 10 0 BGAERO CC1CCC(OCc2cccc(C[NH3+])c2)CC1 ZINC000019392142 168168412 /nfs/dbraw/zinc/16/84/12/168168412.db2.gz VNYJWVPOKIIGPG-UHFFFAOYSA-N 1 0 233.355 3.241 10 0 BGAERO CC(C)OC[C@@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019392844 167258758 /nfs/dbraw/zinc/25/87/58/167258758.db2.gz SCGPIWUKGDYESR-CQSZACIVSA-N 1 0 235.371 3.409 10 0 BGAERO CC(C)OC[C@H]([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019392847 167267450 /nfs/dbraw/zinc/26/74/50/167267450.db2.gz SCGPIWUKGDYESR-AWEZNQCLSA-N 1 0 235.371 3.409 10 0 BGAERO CC1CCC(OCc2ccccc2C[NH3+])CC1 ZINC000019393999 168168032 /nfs/dbraw/zinc/16/80/32/168168032.db2.gz WERZDNPWKHRKJT-UHFFFAOYSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H](OCc1ccccc1C[NH3+])c1ccccc1 ZINC000019395450 176002967 /nfs/dbraw/zinc/00/29/67/176002967.db2.gz GMNFEFJBFXMWFO-CYBMUJFWSA-N 1 0 241.334 3.423 10 0 BGAERO C[C@H](OCc1ccccc1C[NH3+])c1ccccc1 ZINC000019395455 177021617 /nfs/dbraw/zinc/02/16/17/177021617.db2.gz GMNFEFJBFXMWFO-ZDUSSCGKSA-N 1 0 241.334 3.423 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccccc1N ZINC000019397061 176115957 /nfs/dbraw/zinc/11/59/57/176115957.db2.gz QWCAUIVYPLISPE-VXGBXAGGSA-N 1 0 218.344 3.032 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccccc1N ZINC000019397064 177117122 /nfs/dbraw/zinc/11/71/22/177117122.db2.gz QWCAUIVYPLISPE-TXEJJXNPSA-N 1 0 218.344 3.032 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccccc1N ZINC000019397069 177131949 /nfs/dbraw/zinc/13/19/49/177131949.db2.gz QWCAUIVYPLISPE-RYUDHWBXSA-N 1 0 218.344 3.032 10 0 BGAERO CC(C)(C)c1ccc(OCCCC[NH3+])cc1 ZINC000019397615 188281241 /nfs/dbraw/zinc/28/12/41/188281241.db2.gz KXUMZMDMCPURQX-UHFFFAOYSA-N 1 0 221.344 3.102 10 0 BGAERO C[C@H](OCc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000019401849 177021483 /nfs/dbraw/zinc/02/14/83/177021483.db2.gz AUAZMGQPYMTCBE-ZDUSSCGKSA-N 1 0 241.334 3.423 10 0 BGAERO Cc1ccc(OCc2ccc(C[NH3+])cc2F)cc1 ZINC000019402232 178815202 /nfs/dbraw/zinc/81/52/02/178815202.db2.gz DHMLPXDJTXOOLV-UHFFFAOYSA-N 1 0 245.297 3.172 10 0 BGAERO Cc1nc2ccccc2n1[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000019403070 180104344 /nfs/dbraw/zinc/10/43/44/180104344.db2.gz WHAATLYTIHUXTD-GXTWGEPZSA-N 1 0 243.354 3.177 10 0 BGAERO Cc1nc2ccccc2n1[C@H]1CCCCC[C@@H]1[NH3+] ZINC000019403073 180102866 /nfs/dbraw/zinc/10/28/66/180102866.db2.gz WHAATLYTIHUXTD-JSGCOSHPSA-N 1 0 243.354 3.177 10 0 BGAERO Cc1nc2ccccc2n1[C@@H]1CCCCC[C@H]1[NH3+] ZINC000019403076 180104408 /nfs/dbraw/zinc/10/44/08/180104408.db2.gz WHAATLYTIHUXTD-TZMCWYRMSA-N 1 0 243.354 3.177 10 0 BGAERO Cc1nc2ccccc2n1[C@H]1CCCCC[C@H]1[NH3+] ZINC000019403079 180104733 /nfs/dbraw/zinc/10/47/33/180104733.db2.gz WHAATLYTIHUXTD-OCCSQVGLSA-N 1 0 243.354 3.177 10 0 BGAERO Cc1cc2ncn([C@@H]3CCCC[C@@H]3[NH3+])c2cc1C ZINC000019404324 178305382 /nfs/dbraw/zinc/30/53/82/178305382.db2.gz FLFQDVXDSRVLEU-GXTWGEPZSA-N 1 0 243.354 3.096 10 0 BGAERO Cc1cc2ncn([C@H]3CCCC[C@@H]3[NH3+])c2cc1C ZINC000019404327 178305591 /nfs/dbraw/zinc/30/55/91/178305591.db2.gz FLFQDVXDSRVLEU-JSGCOSHPSA-N 1 0 243.354 3.096 10 0 BGAERO Cc1cc2ncn([C@@H]3CCCC[C@H]3[NH3+])c2cc1C ZINC000019404330 178306069 /nfs/dbraw/zinc/30/60/69/178306069.db2.gz FLFQDVXDSRVLEU-TZMCWYRMSA-N 1 0 243.354 3.096 10 0 BGAERO Cc1cc2ncn([C@H]3CCCC[C@H]3[NH3+])c2cc1C ZINC000019404333 178305612 /nfs/dbraw/zinc/30/56/12/178305612.db2.gz FLFQDVXDSRVLEU-OCCSQVGLSA-N 1 0 243.354 3.096 10 0 BGAERO CC(C)(C)[C@H]([NH3+])CO[C@H]1CCCc2ccccc21 ZINC000019405658 188280683 /nfs/dbraw/zinc/28/06/83/188280683.db2.gz ZBLWUNQPVPFCMM-LSDHHAIUSA-N 1 0 247.382 3.454 10 0 BGAERO Cc1cccc(OCc2cc(C[NH3+])ccc2F)c1 ZINC000019407591 179172421 /nfs/dbraw/zinc/17/24/21/179172421.db2.gz MLMUQGKAJZDRMK-UHFFFAOYSA-N 1 0 245.297 3.172 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2C)cc1 ZINC000019414093 175180247 /nfs/dbraw/zinc/18/02/47/175180247.db2.gz LRXHWDQMJZDRAV-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2C)cc1 ZINC000019414095 175192922 /nfs/dbraw/zinc/19/29/22/175192922.db2.gz LRXHWDQMJZDRAV-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO [NH3+][C@H](c1ccc(F)cc1)c1c(F)cccc1F ZINC000019414099 181630514 /nfs/dbraw/zinc/63/05/14/181630514.db2.gz JGZUGOBYYARCJR-CYBMUJFWSA-N 1 0 237.224 3.152 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000019414282 175347939 /nfs/dbraw/zinc/34/79/39/175347939.db2.gz RSMQTZSHUGQIDP-AWEZNQCLSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000019414284 175353161 /nfs/dbraw/zinc/35/31/61/175353161.db2.gz RSMQTZSHUGQIDP-CQSZACIVSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)c(F)c2)cc1 ZINC000019414330 175192676 /nfs/dbraw/zinc/19/26/76/175192676.db2.gz VMTKYZBLGUIBHE-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000019414473 188280884 /nfs/dbraw/zinc/28/08/84/188280884.db2.gz IHGXJXBRWZXTCP-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@H]([NH3+])c2c(F)cccc2F)cc1 ZINC000019414478 175192891 /nfs/dbraw/zinc/19/28/91/175192891.db2.gz IHGXJXBRWZXTCP-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@H]([NH3+])Cc2cccc(F)c2)cc1 ZINC000019414554 175191744 /nfs/dbraw/zinc/19/17/44/175191744.db2.gz YAVLGIAISKDYMG-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)cc2)c1C ZINC000019414884 179186606 /nfs/dbraw/zinc/18/66/06/179186606.db2.gz UHABAKLTZIMVHD-HNNXBMFYSA-N 1 0 229.298 3.491 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccc(F)cc2)c1C ZINC000019414886 179200487 /nfs/dbraw/zinc/20/04/87/179200487.db2.gz UHABAKLTZIMVHD-OAHLLOKOSA-N 1 0 229.298 3.491 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(F)c(F)c2)cc1 ZINC000019415030 175180208 /nfs/dbraw/zinc/18/02/08/175180208.db2.gz QJXKAEOIOVCULX-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(F)c(F)c2)cc1 ZINC000019415032 175192895 /nfs/dbraw/zinc/19/28/95/175192895.db2.gz QJXKAEOIOVCULX-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(C)cc2)c1 ZINC000019415038 175289209 /nfs/dbraw/zinc/28/92/09/175289209.db2.gz RVZOKHYECFKGAC-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(C)cc2)c1 ZINC000019415040 175294883 /nfs/dbraw/zinc/29/48/83/175294883.db2.gz RVZOKHYECFKGAC-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC2CCCC2)cc1 ZINC000019415145 175178864 /nfs/dbraw/zinc/17/88/64/175178864.db2.gz MWXJROOFNWBXFH-AWEZNQCLSA-N 1 0 219.328 3.275 10 0 BGAERO COc1ccc([C@H]([NH3+])CC2CCCC2)cc1 ZINC000019415146 175192122 /nfs/dbraw/zinc/19/21/22/175192122.db2.gz MWXJROOFNWBXFH-CQSZACIVSA-N 1 0 219.328 3.275 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1 ZINC000019415178 175121859 /nfs/dbraw/zinc/12/18/59/175121859.db2.gz STHQLVAXUQBVCF-AWEZNQCLSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1 ZINC000019415180 175122989 /nfs/dbraw/zinc/12/29/89/175122989.db2.gz STHQLVAXUQBVCF-CQSZACIVSA-N 1 0 247.725 3.397 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000019415217 175289222 /nfs/dbraw/zinc/28/92/22/175289222.db2.gz CAFMTLFNRNRJMR-AWEZNQCLSA-N 1 0 247.725 3.397 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(Cl)cc2)c1 ZINC000019415219 175294933 /nfs/dbraw/zinc/29/49/33/175294933.db2.gz CAFMTLFNRNRJMR-CQSZACIVSA-N 1 0 247.725 3.397 10 0 BGAERO COc1cc([C@@H]([NH3+])c2ccc(C)cc2)ccc1C ZINC000019415229 175013919 /nfs/dbraw/zinc/01/39/19/175013919.db2.gz ZXUAPZLKQSGUGV-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cc([C@H]([NH3+])c2ccc(C)cc2)ccc1C ZINC000019415231 175016569 /nfs/dbraw/zinc/01/65/69/175016569.db2.gz ZXUAPZLKQSGUGV-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO CCOc1ccccc1[C@@H]([NH3+])c1ccccc1 ZINC000019415275 170598130 /nfs/dbraw/zinc/59/81/30/170598130.db2.gz QJIOJFTXYJAFSF-HNNXBMFYSA-N 1 0 227.307 3.133 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cc(C)ccc2C)cc1 ZINC000019415374 175192539 /nfs/dbraw/zinc/19/25/39/175192539.db2.gz RHYLQHIKMZFYDE-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)cc2)c1 ZINC000019415435 179185957 /nfs/dbraw/zinc/18/59/57/179185957.db2.gz ODTDMDSAYVBRQN-AWEZNQCLSA-N 1 0 215.271 3.182 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccc(F)cc2)c1 ZINC000019415437 179200794 /nfs/dbraw/zinc/20/07/94/179200794.db2.gz ODTDMDSAYVBRQN-CQSZACIVSA-N 1 0 215.271 3.182 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000019415603 175180388 /nfs/dbraw/zinc/18/03/88/175180388.db2.gz JRZTYSLQMKSQFI-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2F)cc1 ZINC000019415605 175192697 /nfs/dbraw/zinc/19/26/97/175192697.db2.gz JRZTYSLQMKSQFI-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO CCc1ccc([C@H]([NH3+])c2ccc(OC)cc2)cc1 ZINC000019415665 171843986 /nfs/dbraw/zinc/84/39/86/171843986.db2.gz VYTJCMJTTXBJCS-INIZCTEOSA-N 1 0 241.334 3.306 10 0 BGAERO CCCCc1ccc(C(=O)C2CC[NH2+]CC2)cc1 ZINC000019415688 169019713 /nfs/dbraw/zinc/01/97/13/169019713.db2.gz BTFOEZQLFUDQIE-UHFFFAOYSA-N 1 0 245.366 3.212 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)cc2C)cc1 ZINC000019415778 175192575 /nfs/dbraw/zinc/19/25/75/175192575.db2.gz PWFNBGPFKLKJDM-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cc(C)cc(C)c2)cc1 ZINC000019415861 175192829 /nfs/dbraw/zinc/19/28/29/175192829.db2.gz HCEOPITWKLVHAU-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cc([C@@H]([NH3+])c2ccc(F)cc2)ccc1C ZINC000019415879 175014048 /nfs/dbraw/zinc/01/40/48/175014048.db2.gz ABTMCEFBLBLGIP-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1cc([C@H]([NH3+])c2ccc(F)cc2)ccc1C ZINC000019415881 175017232 /nfs/dbraw/zinc/01/72/32/175017232.db2.gz ABTMCEFBLBLGIP-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO [NH3+][C@@H](Cc1cccc(F)c1)c1ccccc1 ZINC000019415915 343141533 /nfs/dbraw/zinc/14/15/33/343141533.db2.gz XDFZNXYNLVOOSH-AWEZNQCLSA-N 1 0 215.271 3.068 10 0 BGAERO [NH3+][C@H](Cc1cccc(F)c1)c1ccccc1 ZINC000019415917 181626677 /nfs/dbraw/zinc/62/66/77/181626677.db2.gz XDFZNXYNLVOOSH-CQSZACIVSA-N 1 0 215.271 3.068 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cc(F)cc(F)c2)cc1 ZINC000019415944 188107968 /nfs/dbraw/zinc/10/79/68/188107968.db2.gz UTXIMUHPOWSPSG-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cc(F)cc(F)c2)cc1 ZINC000019415946 175192602 /nfs/dbraw/zinc/19/26/02/175192602.db2.gz UTXIMUHPOWSPSG-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)c(C)c2)cc1 ZINC000019416048 175192865 /nfs/dbraw/zinc/19/28/65/175192865.db2.gz FDXLUYQPCPLOAO-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000019420706 179324277 /nfs/dbraw/zinc/32/42/77/179324277.db2.gz OWZIHIMFMMWJPF-AWEZNQCLSA-N 1 0 215.271 3.182 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])c1ccc(F)cc1 ZINC000019420708 179344171 /nfs/dbraw/zinc/34/41/71/179344171.db2.gz OWZIHIMFMMWJPF-CQSZACIVSA-N 1 0 215.271 3.182 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019420761 384999059 /nfs/dbraw/zinc/99/90/59/384999059.db2.gz SOYPVVIXRRAUTP-SNVBAGLBSA-N 1 0 228.133 3.105 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccc(C)c2C)cc1 ZINC000019420778 175180178 /nfs/dbraw/zinc/18/01/78/175180178.db2.gz MQQOJJGGIRTZKE-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccc(C)c2C)cc1 ZINC000019420779 175192791 /nfs/dbraw/zinc/19/27/91/175192791.db2.gz MQQOJJGGIRTZKE-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC2CCCC2)cc1OC ZINC000019420897 175179354 /nfs/dbraw/zinc/17/93/54/175179354.db2.gz VYOQOMMGKWCXSR-ZDUSSCGKSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc([C@H]([NH3+])CC2CCCC2)cc1OC ZINC000019420899 175192008 /nfs/dbraw/zinc/19/20/08/175192008.db2.gz VYOQOMMGKWCXSR-CYBMUJFWSA-N 1 0 249.354 3.284 10 0 BGAERO COc1cc([C@@H]([NH3+])c2ccccc2)ccc1C ZINC000019420931 175014473 /nfs/dbraw/zinc/01/44/73/175014473.db2.gz GCHGRTZSYPYUQF-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO COc1cc([C@H]([NH3+])c2ccccc2)ccc1C ZINC000019420932 175017204 /nfs/dbraw/zinc/01/72/04/175017204.db2.gz GCHGRTZSYPYUQF-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO [NH3+][C@@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000019421152 343141466 /nfs/dbraw/zinc/14/14/66/343141466.db2.gz FMYWWBYYAUTWIX-ZDUSSCGKSA-N 1 0 219.234 3.013 10 0 BGAERO [NH3+][C@H](c1ccc(F)cc1)c1cccc(F)c1 ZINC000019421154 343141516 /nfs/dbraw/zinc/14/15/16/343141516.db2.gz FMYWWBYYAUTWIX-CYBMUJFWSA-N 1 0 219.234 3.013 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC(C)(C)C)cc1OC ZINC000019421515 175179385 /nfs/dbraw/zinc/17/93/85/175179385.db2.gz UIGUZWSUWAOBIJ-NSHDSACASA-N 1 0 237.343 3.140 10 0 BGAERO COc1ccc([C@H]([NH3+])CC(C)(C)C)cc1OC ZINC000019421517 175191750 /nfs/dbraw/zinc/19/17/50/175191750.db2.gz UIGUZWSUWAOBIJ-LLVKDONJSA-N 1 0 237.343 3.140 10 0 BGAERO CC[C@@H](C)c1ccc(C(=O)C2CC[NH2+]CC2)cc1 ZINC000019421677 170803106 /nfs/dbraw/zinc/80/31/06/170803106.db2.gz MZHUPIJKPJLYFY-GFCCVEGCSA-N 1 0 245.366 3.382 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000019421772 175180206 /nfs/dbraw/zinc/18/02/06/175180206.db2.gz IWXYQFXMPXWJNF-CQSZACIVSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccc(Cl)c2)cc1 ZINC000019421774 175192548 /nfs/dbraw/zinc/19/25/48/175192548.db2.gz IWXYQFXMPXWJNF-AWEZNQCLSA-N 1 0 247.725 3.397 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccccc2)c1C ZINC000019421776 179187173 /nfs/dbraw/zinc/18/71/73/179187173.db2.gz JKUVOBXACOPONZ-HNNXBMFYSA-N 1 0 211.308 3.352 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccccc2)c1C ZINC000019421778 179200913 /nfs/dbraw/zinc/20/09/13/179200913.db2.gz JKUVOBXACOPONZ-OAHLLOKOSA-N 1 0 211.308 3.352 10 0 BGAERO [NH3+][C@@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000019421847 342948266 /nfs/dbraw/zinc/94/82/66/342948266.db2.gz CFWADCJNLVSUEU-QMMMGPOBSA-N 1 0 223.625 3.292 10 0 BGAERO [NH3+][C@H](CC(F)(F)F)c1ccc(Cl)cc1 ZINC000019421849 342948229 /nfs/dbraw/zinc/94/82/29/342948229.db2.gz CFWADCJNLVSUEU-MRVPVSSYSA-N 1 0 223.625 3.292 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OCc1cccc(C(N)=[NH2+])c1 ZINC000019429991 176082544 /nfs/dbraw/zinc/08/25/44/176082544.db2.gz VRJGVFYAHCTSPT-RISCZKNCSA-N 1 0 246.354 3.066 10 0 BGAERO C[C@H]1CCCC[C@@H]1OCc1cccc(C(N)=[NH2+])c1 ZINC000019429993 177084443 /nfs/dbraw/zinc/08/44/43/177084443.db2.gz VRJGVFYAHCTSPT-FZMZJTMJSA-N 1 0 246.354 3.066 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OCc1ccccc1C(N)=[NH2+] ZINC000019431379 176082701 /nfs/dbraw/zinc/08/27/01/176082701.db2.gz VJZXOZNPEWQAPI-RISCZKNCSA-N 1 0 246.354 3.066 10 0 BGAERO C[C@H]1CCCC[C@@H]1OCc1ccccc1C(N)=[NH2+] ZINC000019431381 177084483 /nfs/dbraw/zinc/08/44/83/177084483.db2.gz VJZXOZNPEWQAPI-FZMZJTMJSA-N 1 0 246.354 3.066 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019431383 187251471 /nfs/dbraw/zinc/25/14/71/187251471.db2.gz IHSXLLBKAMNFLD-LLVKDONJSA-N 1 0 242.160 3.495 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019431385 188107722 /nfs/dbraw/zinc/10/77/22/188107722.db2.gz IHSXLLBKAMNFLD-NSHDSACASA-N 1 0 242.160 3.495 10 0 BGAERO CCCCCN(CCC(N)=[NH2+])c1ccccc1 ZINC000019431791 168689975 /nfs/dbraw/zinc/68/99/75/168689975.db2.gz SEFPPVQVFPBRCN-UHFFFAOYSA-N 1 0 233.359 3.009 10 0 BGAERO CCC(C)(C)c1ccc(OCCC(N)=[NH2+])cc1 ZINC000019433505 168305481 /nfs/dbraw/zinc/30/54/81/168305481.db2.gz KHIRXTZFXIAMFT-UHFFFAOYSA-N 1 0 234.343 3.079 10 0 BGAERO CCC[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000019435692 169280202 /nfs/dbraw/zinc/28/02/02/169280202.db2.gz CNYQAJRFNSGREP-INIZCTEOSA-N 1 0 241.334 3.481 10 0 BGAERO CCC[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000019435694 169290520 /nfs/dbraw/zinc/29/05/20/169290520.db2.gz CNYQAJRFNSGREP-MRXNPFEDSA-N 1 0 241.334 3.481 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000019436849 167299606 /nfs/dbraw/zinc/29/96/06/167299606.db2.gz ZYBADIUYDPJERK-AWEZNQCLSA-N 1 0 219.328 3.288 10 0 BGAERO CC(C)Oc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000019436851 167301528 /nfs/dbraw/zinc/30/15/28/167301528.db2.gz ZYBADIUYDPJERK-CQSZACIVSA-N 1 0 219.328 3.288 10 0 BGAERO [NH3+]CCCCCCc1nc2ccccc2s1 ZINC000019439379 181374784 /nfs/dbraw/zinc/37/47/84/181374784.db2.gz MONPSKFQNPEHJZ-UHFFFAOYSA-N 1 0 234.368 3.358 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1nc2ccccc2s1 ZINC000019440386 171372724 /nfs/dbraw/zinc/37/27/24/171372724.db2.gz JFHXZXVDRRNUOV-GZMMTYOYSA-N 1 0 220.341 3.342 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1nc2ccccc2s1 ZINC000019440390 171398051 /nfs/dbraw/zinc/39/80/51/171398051.db2.gz JFHXZXVDRRNUOV-KWQFWETISA-N 1 0 220.341 3.342 10 0 BGAERO NC(=[NH2+])CCCOc1cccc(Cl)c1Cl ZINC000019441153 181186851 /nfs/dbraw/zinc/18/68/51/181186851.db2.gz OCKDQVLVLQMKPP-UHFFFAOYSA-N 1 0 247.125 3.088 10 0 BGAERO Cc1ccc(C(C)C)c(OCCCC(N)=[NH2+])c1 ZINC000019441165 178452517 /nfs/dbraw/zinc/45/25/17/178452517.db2.gz LLQVDSDTRCAOPG-UHFFFAOYSA-N 1 0 234.343 3.213 10 0 BGAERO CC(C)(C)c1ccc(OCCCC(N)=[NH2+])cc1 ZINC000019472646 188107714 /nfs/dbraw/zinc/10/77/14/188107714.db2.gz VAGXKVQWCQPYSY-UHFFFAOYSA-N 1 0 234.343 3.079 10 0 BGAERO CC1CCC(OCc2ccc(C(N)=[NH2+])cc2)CC1 ZINC000019473314 168168737 /nfs/dbraw/zinc/16/87/37/168168737.db2.gz PTRIWYCFJZQTCX-UHFFFAOYSA-N 1 0 246.354 3.066 10 0 BGAERO CC1CCC(OCc2cccc(C(N)=[NH2+])c2)CC1 ZINC000019474731 168168460 /nfs/dbraw/zinc/16/84/60/168168460.db2.gz BRMVLBSBAWXQMC-UHFFFAOYSA-N 1 0 246.354 3.066 10 0 BGAERO CCCOc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000019475806 169321408 /nfs/dbraw/zinc/32/14/08/169321408.db2.gz ZKNUGQFRDSMECH-AWEZNQCLSA-N 1 0 219.328 3.290 10 0 BGAERO CCCOc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000019475808 169322677 /nfs/dbraw/zinc/32/26/77/169322677.db2.gz ZKNUGQFRDSMECH-CQSZACIVSA-N 1 0 219.328 3.290 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1nc2ccccc2s1 ZINC000019476420 188002440 /nfs/dbraw/zinc/00/24/40/188002440.db2.gz QKPNZZNCUYPOAZ-SECBINFHSA-N 1 0 220.341 3.342 10 0 BGAERO NC(=[NH2+])CCCOc1ccc(Cl)cc1Cl ZINC000019476695 181186701 /nfs/dbraw/zinc/18/67/01/181186701.db2.gz WWOPRJDHTUOVBQ-UHFFFAOYSA-N 1 0 247.125 3.088 10 0 BGAERO Cc1cc(Cl)cc(C)c1OCCCC(N)=[NH2+] ZINC000019477026 178063667 /nfs/dbraw/zinc/06/36/67/178063667.db2.gz FAOMPYSSCFJUFI-UHFFFAOYSA-N 1 0 240.734 3.052 10 0 BGAERO c1ccc2c(c1)CCC[C@H]1CCC[NH2+][C@@H]21 ZINC000019482896 183442191 /nfs/dbraw/zinc/44/21/91/183442191.db2.gz QMZREPWONQAFJC-GXTWGEPZSA-N 1 0 201.313 3.064 10 0 BGAERO Cc1cc2c(o1)C[C@H](C(C)(C)C)C[C@@H]2[NH3+] ZINC000019484669 178293321 /nfs/dbraw/zinc/29/33/21/178293321.db2.gz AQPLDYNNYASUKV-KOLCDFICSA-N 1 0 207.317 3.196 10 0 BGAERO Cc1cc2c(o1)C[C@H](C(C)(C)C)C[C@H]2[NH3+] ZINC000019484671 178293300 /nfs/dbraw/zinc/29/33/00/178293300.db2.gz AQPLDYNNYASUKV-MWLCHTKSSA-N 1 0 207.317 3.196 10 0 BGAERO Cc1cc2c(o1)C[C@@H](C(C)(C)C)C[C@@H]2[NH3+] ZINC000019484672 178292993 /nfs/dbraw/zinc/29/29/93/178292993.db2.gz AQPLDYNNYASUKV-ONGXEEELSA-N 1 0 207.317 3.196 10 0 BGAERO Cc1cc2c(o1)C[C@@H](C(C)(C)C)C[C@H]2[NH3+] ZINC000019484674 178292565 /nfs/dbraw/zinc/29/25/65/178292565.db2.gz AQPLDYNNYASUKV-GXSJLCMTSA-N 1 0 207.317 3.196 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccccc1C(C)C ZINC000019486003 171372425 /nfs/dbraw/zinc/37/24/25/171372425.db2.gz QDZLSTHJFCVPRW-SMDDNHRTSA-N 1 0 248.370 3.122 10 0 BGAERO CCC[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000019488100 169280501 /nfs/dbraw/zinc/28/05/01/169280501.db2.gz NKDNQUFOWYXQGM-AWEZNQCLSA-N 1 0 215.296 3.369 10 0 BGAERO CCC[NH2+][C@@H](c1ccco1)c1ccccc1 ZINC000019488102 169290410 /nfs/dbraw/zinc/29/04/10/169290410.db2.gz NKDNQUFOWYXQGM-CQSZACIVSA-N 1 0 215.296 3.369 10 0 BGAERO C/C=C/COc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019488925 187589270 /nfs/dbraw/zinc/58/92/70/187589270.db2.gz NNEQHXYSJCGQML-NSCUHMNNSA-N 1 0 229.323 3.018 10 0 BGAERO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccccc1C(C)C ZINC000019489085 188280766 /nfs/dbraw/zinc/28/07/66/188280766.db2.gz GRNJSIVYEDBJKP-CYBMUJFWSA-N 1 0 248.370 3.122 10 0 BGAERO CC1CCC(OCc2ccccc2C(N)=[NH2+])CC1 ZINC000019504160 168168548 /nfs/dbraw/zinc/16/85/48/168168548.db2.gz HJVXDYUPKOUZPW-UHFFFAOYSA-N 1 0 246.354 3.066 10 0 BGAERO CC(C)(C)c1ccccc1OCCCC(N)=[NH2+] ZINC000019508714 188280404 /nfs/dbraw/zinc/28/04/04/188280404.db2.gz RFTHGIKPQNBLBM-UHFFFAOYSA-N 1 0 234.343 3.079 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OCc1ccc(C(N)=[NH2+])cc1 ZINC000019512132 176082621 /nfs/dbraw/zinc/08/26/21/176082621.db2.gz WPTAJBLXGLCZRM-RISCZKNCSA-N 1 0 246.354 3.066 10 0 BGAERO C[C@H]1CCCC[C@@H]1OCc1ccc(C(N)=[NH2+])cc1 ZINC000019512134 177084764 /nfs/dbraw/zinc/08/47/64/177084764.db2.gz WPTAJBLXGLCZRM-FZMZJTMJSA-N 1 0 246.354 3.066 10 0 BGAERO CC[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000019512686 170148362 /nfs/dbraw/zinc/14/83/62/170148362.db2.gz WHGBAMOJBFAYHV-HNNXBMFYSA-N 1 0 227.307 3.091 10 0 BGAERO CC[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000019512688 170165136 /nfs/dbraw/zinc/16/51/36/170165136.db2.gz WHGBAMOJBFAYHV-OAHLLOKOSA-N 1 0 227.307 3.091 10 0 BGAERO [NH3+]CCc1nc(-c2cc3ccccc3o2)cs1 ZINC000019513271 181413467 /nfs/dbraw/zinc/41/34/67/181413467.db2.gz KWNOVGPZUCPUIW-UHFFFAOYSA-N 1 0 244.319 3.058 10 0 BGAERO Cc1cc(OCCCC(N)=[NH2+])ccc1C(C)C ZINC000019515359 178209422 /nfs/dbraw/zinc/20/94/22/178209422.db2.gz LSPIAGKYGBDWPL-UHFFFAOYSA-N 1 0 234.343 3.213 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000019516285 171372429 /nfs/dbraw/zinc/37/24/29/171372429.db2.gz FINVVYOKTXBJLV-GZMMTYOYSA-N 1 0 242.160 3.495 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000019516289 171396230 /nfs/dbraw/zinc/39/62/30/171396230.db2.gz FINVVYOKTXBJLV-KWQFWETISA-N 1 0 242.160 3.495 10 0 BGAERO NC(=[NH2+])CCOc1ccccc1-c1ccccc1 ZINC000019517606 181186965 /nfs/dbraw/zinc/18/69/65/181186965.db2.gz OXQCUERYRZVQTB-UHFFFAOYSA-N 1 0 240.306 3.058 10 0 BGAERO NC(=[NH2+])CCCOc1cc(Cl)ccc1Cl ZINC000019518532 181186988 /nfs/dbraw/zinc/18/69/88/181186988.db2.gz UZUXRWBSEVARLY-UHFFFAOYSA-N 1 0 247.125 3.088 10 0 BGAERO C[NH2+][C@@H](C)c1ccc2cc(OC)ccc2c1 ZINC000019519798 173419211 /nfs/dbraw/zinc/41/92/11/173419211.db2.gz SHVBMPKBHUNZKC-JTQLQIEISA-N 1 0 215.296 3.129 10 0 BGAERO Cc1ccccc1O[C@@H](C[NH3+])c1ccccc1 ZINC000019670702 179313189 /nfs/dbraw/zinc/31/31/89/179313189.db2.gz UCFLSIVFAHCGCG-HNNXBMFYSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1ccccc1O[C@H](C[NH3+])c1ccccc1 ZINC000019670704 179314603 /nfs/dbraw/zinc/31/46/03/179314603.db2.gz UCFLSIVFAHCGCG-OAHLLOKOSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2ccccc2)c1 ZINC000019670706 179174312 /nfs/dbraw/zinc/17/43/12/179174312.db2.gz AYYWEQBOGAEOQN-HNNXBMFYSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1cccc(O[C@H](C[NH3+])c2ccccc2)c1 ZINC000019670708 179174664 /nfs/dbraw/zinc/17/46/64/179174664.db2.gz AYYWEQBOGAEOQN-OAHLLOKOSA-N 1 0 227.307 3.074 10 0 BGAERO [NH3+]C[C@@H](Oc1ccc(Cl)cc1)c1ccccc1 ZINC000019670734 181423317 /nfs/dbraw/zinc/42/33/17/181423317.db2.gz JFHUOSBIBWSKGP-CQSZACIVSA-N 1 0 247.725 3.419 10 0 BGAERO CCc1ccccc1O[C@H](C[NH3+])c1ccccc1 ZINC000019670764 171891490 /nfs/dbraw/zinc/89/14/90/171891490.db2.gz XRZCMNCBVLXERH-MRXNPFEDSA-N 1 0 241.334 3.328 10 0 BGAERO CCc1ccc(O[C@@H](C[NH3+])c2ccccc2)cc1 ZINC000019670770 188107769 /nfs/dbraw/zinc/10/77/69/188107769.db2.gz DPWIRPDJWZBGSH-INIZCTEOSA-N 1 0 241.334 3.328 10 0 BGAERO CCc1ccc(O[C@H](C[NH3+])c2ccccc2)cc1 ZINC000019670772 187253067 /nfs/dbraw/zinc/25/30/67/187253067.db2.gz DPWIRPDJWZBGSH-MRXNPFEDSA-N 1 0 241.334 3.328 10 0 BGAERO Cc1ccc(C)c(O[C@H](C[NH3+])c2ccccc2)c1 ZINC000019670814 178491240 /nfs/dbraw/zinc/49/12/40/178491240.db2.gz FGAVYFWCOHZXEI-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2ccccc2)c1C ZINC000019670820 179175123 /nfs/dbraw/zinc/17/51/23/179175123.db2.gz WASGXPURHDQZJI-INIZCTEOSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc(O[C@H](C[NH3+])c2ccccc2)c1C ZINC000019670822 179174983 /nfs/dbraw/zinc/17/49/83/179174983.db2.gz WASGXPURHDQZJI-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1ccc(O[C@H](C[NH3+])c2ccccc2)cc1C ZINC000019670830 178819088 /nfs/dbraw/zinc/81/90/88/178819088.db2.gz VNWFTCNOUWBMTB-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO [NH3+]C[C@@H](Oc1ccc(F)cc1F)c1ccccc1 ZINC000019670903 181424035 /nfs/dbraw/zinc/42/40/35/181424035.db2.gz WQKYRZKIDJJJCZ-CQSZACIVSA-N 1 0 249.260 3.044 10 0 BGAERO [NH3+]C[C@H](Oc1ccc(F)cc1F)c1ccccc1 ZINC000019670905 181452736 /nfs/dbraw/zinc/45/27/36/181452736.db2.gz WQKYRZKIDJJJCZ-AWEZNQCLSA-N 1 0 249.260 3.044 10 0 BGAERO [NH3+]C[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 ZINC000019670909 181453101 /nfs/dbraw/zinc/45/31/01/181453101.db2.gz XEWPXHNBRPVGTH-AWEZNQCLSA-N 1 0 249.260 3.044 10 0 BGAERO Cc1ccccc1O[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000019671390 179312692 /nfs/dbraw/zinc/31/26/92/179312692.db2.gz JAWIHMWOKOGNNY-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1O[C@H](C[NH3+])c1ccc(F)cc1 ZINC000019671392 179313901 /nfs/dbraw/zinc/31/39/01/179313901.db2.gz JAWIHMWOKOGNNY-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000019671394 179175038 /nfs/dbraw/zinc/17/50/38/179175038.db2.gz BPTGQOLJCWFVRO-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc(O[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000019671396 179175256 /nfs/dbraw/zinc/17/52/56/179175256.db2.gz BPTGQOLJCWFVRO-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1O[C@@H](C[NH3+])c1ccccc1F ZINC000019671644 179313310 /nfs/dbraw/zinc/31/33/10/179313310.db2.gz HRRAZZMWRBLXLK-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1O[C@H](C[NH3+])c1ccccc1F ZINC000019671646 179313844 /nfs/dbraw/zinc/31/38/44/179313844.db2.gz HRRAZZMWRBLXLK-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2ccccc2F)c1 ZINC000019671648 179174496 /nfs/dbraw/zinc/17/44/96/179174496.db2.gz ARYGWRYOIJMZPD-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO [NH3+]CCSc1ccc(Cl)c(Cl)c1 ZINC000019686311 181401957 /nfs/dbraw/zinc/40/19/57/181401957.db2.gz UACZNTIEOBQJQO-UHFFFAOYSA-N 1 0 222.140 3.044 10 0 BGAERO [NH3+]CCCSc1ccc(Cl)c(Cl)c1 ZINC000019686371 181384256 /nfs/dbraw/zinc/38/42/56/181384256.db2.gz SUKLBVNWJFIWHO-UHFFFAOYSA-N 1 0 236.167 3.434 10 0 BGAERO COc1ccc(SCCCC[NH3+])cc1Cl ZINC000019686477 175175183 /nfs/dbraw/zinc/17/51/83/175175183.db2.gz MYRZFWZSMCWAPG-UHFFFAOYSA-N 1 0 245.775 3.180 10 0 BGAERO COc1ccc(Cl)cc1SCCCC[NH3+] ZINC000019686497 175121920 /nfs/dbraw/zinc/12/19/20/175121920.db2.gz PNVXIDAERDFHQI-UHFFFAOYSA-N 1 0 245.775 3.180 10 0 BGAERO [NH3+]CCCCSc1cccc(Cl)c1 ZINC000019686499 181378608 /nfs/dbraw/zinc/37/86/08/181378608.db2.gz RARLWVKUCXQAKT-UHFFFAOYSA-N 1 0 215.749 3.171 10 0 BGAERO CC[C@@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019726085 170823305 /nfs/dbraw/zinc/82/33/05/170823305.db2.gz RCTVWMCOVPPHTI-NSHDSACASA-N 1 0 205.345 3.436 10 0 BGAERO CC[C@H](C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000019726086 171431557 /nfs/dbraw/zinc/43/15/57/171431557.db2.gz RCTVWMCOVPPHTI-LLVKDONJSA-N 1 0 205.345 3.436 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1ccc(Br)cc1 ZINC000019726143 167396809 /nfs/dbraw/zinc/39/68/09/167396809.db2.gz LMHLGXSGQGTDPM-LLVKDONJSA-N 1 0 242.160 3.147 10 0 BGAERO COc1ccc(C)cc1[C@@H](C[NH3+])C1CCCC1 ZINC000019726289 175078839 /nfs/dbraw/zinc/07/88/39/175078839.db2.gz ACWORGHOMZHIMU-AWEZNQCLSA-N 1 0 233.355 3.236 10 0 BGAERO COc1ccc(C)cc1[C@H](C[NH3+])C1CCCC1 ZINC000019726290 175081992 /nfs/dbraw/zinc/08/19/92/175081992.db2.gz ACWORGHOMZHIMU-CQSZACIVSA-N 1 0 233.355 3.236 10 0 BGAERO [NH3+]C[C@H](c1ccc(F)cc1)C1CCCCC1 ZINC000019726321 384996056 /nfs/dbraw/zinc/99/60/56/384996056.db2.gz ARQMELLFPXCHDH-AWEZNQCLSA-N 1 0 221.319 3.448 10 0 BGAERO [NH3+]C[C@@H](c1ccc(F)cc1)C1CCCCC1 ZINC000019726322 384993583 /nfs/dbraw/zinc/99/35/83/384993583.db2.gz ARQMELLFPXCHDH-CQSZACIVSA-N 1 0 221.319 3.448 10 0 BGAERO COc1ccc([C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000019726327 175178544 /nfs/dbraw/zinc/17/85/44/175178544.db2.gz IGQWBVINEGAQSV-HNNXBMFYSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccc([C@H](C[NH3+])C2CCCCC2)cc1 ZINC000019726328 188107823 /nfs/dbraw/zinc/10/78/23/188107823.db2.gz IGQWBVINEGAQSV-OAHLLOKOSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccccc1[C@@H](C[NH3+])C1CCCCC1 ZINC000019726345 175346423 /nfs/dbraw/zinc/34/64/23/175346423.db2.gz KDJQRVWHPXUEPU-AWEZNQCLSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccccc1[C@H](C[NH3+])C1CCCCC1 ZINC000019726346 175353193 /nfs/dbraw/zinc/35/31/93/175353193.db2.gz KDJQRVWHPXUEPU-CQSZACIVSA-N 1 0 233.355 3.318 10 0 BGAERO COc1cccc([C@@H](C[NH3+])C2CCCCC2)c1 ZINC000019726347 175287480 /nfs/dbraw/zinc/28/74/80/175287480.db2.gz WEUKVSBBIBZXMB-HNNXBMFYSA-N 1 0 233.355 3.318 10 0 BGAERO COc1cccc([C@H](C[NH3+])C2CCCCC2)c1 ZINC000019726348 175294336 /nfs/dbraw/zinc/29/43/36/175294336.db2.gz WEUKVSBBIBZXMB-OAHLLOKOSA-N 1 0 233.355 3.318 10 0 BGAERO CC(C)(C)c1ccc2c(c1)[C@H]([NH3+])CCC2 ZINC000019727419 342954972 /nfs/dbraw/zinc/95/49/72/342954972.db2.gz YKXYZNXRTXTBEI-CYBMUJFWSA-N 1 0 203.329 3.320 10 0 BGAERO CC(C)(C)c1ccc2c(c1)[C@@H]([NH3+])CCC2 ZINC000019727421 384535463 /nfs/dbraw/zinc/53/54/63/384535463.db2.gz YKXYZNXRTXTBEI-ZDUSSCGKSA-N 1 0 203.329 3.320 10 0 BGAERO CC1(C)CC[C@H]([NH3+])c2cc(Cl)ccc21 ZINC000019727478 187252595 /nfs/dbraw/zinc/25/25/95/187252595.db2.gz LEQWPZMLGTVSQY-NSHDSACASA-N 1 0 209.720 3.411 10 0 BGAERO C[C@@H](c1cccc(N)c1)[NH+]1CCC(C)CC1 ZINC000019730816 168186516 /nfs/dbraw/zinc/18/65/16/168186516.db2.gz YJIYNYWVBKTSPK-LBPRGKRZSA-N 1 0 218.344 3.062 10 0 BGAERO C[C@H](c1cccc(N)c1)[NH+]1CCC(C)CC1 ZINC000019730818 168185341 /nfs/dbraw/zinc/18/53/41/168185341.db2.gz YJIYNYWVBKTSPK-GFCCVEGCSA-N 1 0 218.344 3.062 10 0 BGAERO C[C@H](c1cccc(N)c1)[NH+]1CCCCCC1 ZINC000019730820 177036909 /nfs/dbraw/zinc/03/69/09/177036909.db2.gz PXEQHBJNFCNFQJ-GFCCVEGCSA-N 1 0 218.344 3.206 10 0 BGAERO C[C@@H](c1cccc(N)c1)[NH+]1CCCCCC1 ZINC000019730822 176018282 /nfs/dbraw/zinc/01/82/82/176018282.db2.gz PXEQHBJNFCNFQJ-LBPRGKRZSA-N 1 0 218.344 3.206 10 0 BGAERO C[C@H](c1cccc(N)c1)[N@H+](C)Cc1ccccc1 ZINC000019730840 177036522 /nfs/dbraw/zinc/03/65/22/177036522.db2.gz UDMNDUPBRWBIRC-CYBMUJFWSA-N 1 0 240.350 3.462 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@H+](C)Cc1ccccc1 ZINC000019730842 176018055 /nfs/dbraw/zinc/01/80/55/176018055.db2.gz UDMNDUPBRWBIRC-ZDUSSCGKSA-N 1 0 240.350 3.462 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000019731115 168185337 /nfs/dbraw/zinc/18/53/37/168185337.db2.gz QHPPBHZNURBYLT-LBPRGKRZSA-N 1 0 218.344 3.062 10 0 BGAERO C[C@H](c1ccc(N)cc1)[NH+]1CCC(C)CC1 ZINC000019731117 168185944 /nfs/dbraw/zinc/18/59/44/168185944.db2.gz QHPPBHZNURBYLT-GFCCVEGCSA-N 1 0 218.344 3.062 10 0 BGAERO C[C@H](c1ccc(N)cc1)[NH+]1CCCCCC1 ZINC000019731119 177034652 /nfs/dbraw/zinc/03/46/52/177034652.db2.gz BEWNFLKDFDRLRL-GFCCVEGCSA-N 1 0 218.344 3.206 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[NH+]1CCCCCC1 ZINC000019731121 176015758 /nfs/dbraw/zinc/01/57/58/176015758.db2.gz BEWNFLKDFDRLRL-LBPRGKRZSA-N 1 0 218.344 3.206 10 0 BGAERO C[C@H](c1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000019731142 177034577 /nfs/dbraw/zinc/03/45/77/177034577.db2.gz WKEPYZKOKSPHQC-CYBMUJFWSA-N 1 0 240.350 3.462 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)Cc1ccccc1 ZINC000019731144 176015487 /nfs/dbraw/zinc/01/54/87/176015487.db2.gz WKEPYZKOKSPHQC-ZDUSSCGKSA-N 1 0 240.350 3.462 10 0 BGAERO CCCCCCn1c2ccccc2nc1CC[NH3+] ZINC000019734101 168681499 /nfs/dbraw/zinc/68/14/99/168681499.db2.gz TXNMTRVNLGLTMR-UHFFFAOYSA-N 1 0 245.370 3.118 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2ccccc2n1CCC ZINC000019734810 169393837 /nfs/dbraw/zinc/39/38/37/169393837.db2.gz BVPJEJHBFDHYDE-LLVKDONJSA-N 1 0 231.343 3.246 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2ccccc2n1C(C)C ZINC000019734822 169393710 /nfs/dbraw/zinc/39/37/10/169393710.db2.gz XJPLQZIVXHOFCN-LLVKDONJSA-N 1 0 231.343 3.417 10 0 BGAERO CC[C@@H]([NH3+])c1nc2ccccc2n1C(C)C ZINC000019735064 170871859 /nfs/dbraw/zinc/87/18/59/170871859.db2.gz GQAWUAYOUHPCNG-SNVBAGLBSA-N 1 0 217.316 3.027 10 0 BGAERO CCCC[C@H]([NH3+])c1nc2ccccc2n1CC ZINC000019750247 169009332 /nfs/dbraw/zinc/00/93/32/169009332.db2.gz DNMAQRLDZSLLCF-NSHDSACASA-N 1 0 231.343 3.246 10 0 BGAERO Cc1ccc(-n2c(C[NH3+])csc2=S)cc1 ZINC000019772809 178346150 /nfs/dbraw/zinc/34/61/50/178346150.db2.gz NTAOVMBUGFNYEY-UHFFFAOYSA-N 1 0 236.365 3.035 10 0 BGAERO C[NH2+]CCCOc1ccc(C(C)C)c(C)c1 ZINC000019777165 173349685 /nfs/dbraw/zinc/34/96/85/173349685.db2.gz JRZJKMWHGOWUEH-UHFFFAOYSA-N 1 0 221.344 3.107 10 0 BGAERO C[NH2+]CCCOc1cc(C)ccc1C(C)C ZINC000019777166 173349413 /nfs/dbraw/zinc/34/94/13/173349413.db2.gz LXPSLBOPYFGNIM-UHFFFAOYSA-N 1 0 221.344 3.107 10 0 BGAERO C[NH2+]Cc1ccc(OCc2ccccc2F)cc1 ZINC000019777245 173389042 /nfs/dbraw/zinc/38/90/42/173389042.db2.gz JFEQGKHFPMPRAN-UHFFFAOYSA-N 1 0 245.297 3.124 10 0 BGAERO C[NH2+]Cc1ccc(OCc2ccc(F)cc2)cc1 ZINC000019777246 173388759 /nfs/dbraw/zinc/38/87/59/173388759.db2.gz GQQKPFKLANGBDC-UHFFFAOYSA-N 1 0 245.297 3.124 10 0 BGAERO C[NH2+]Cc1ccc(Oc2ccc(OC)cc2)cc1 ZINC000019777258 173388987 /nfs/dbraw/zinc/38/89/87/173388987.db2.gz RIHHVORWNHWJOO-UHFFFAOYSA-N 1 0 243.306 3.207 10 0 BGAERO C[NH2+]Cc1ccc(Oc2cccc(OC)c2)cc1 ZINC000019777259 188281732 /nfs/dbraw/zinc/28/17/32/188281732.db2.gz OSXYEXBHEHVQDC-UHFFFAOYSA-N 1 0 243.306 3.207 10 0 BGAERO C[NH2+]Cc1ccc(Oc2ccccc2OC)cc1 ZINC000019777260 187417586 /nfs/dbraw/zinc/41/75/86/187417586.db2.gz BDGNKFREAYEPEC-UHFFFAOYSA-N 1 0 243.306 3.207 10 0 BGAERO C[NH2+]CCOc1ccc(Oc2ccccc2)cc1 ZINC000019777261 173357366 /nfs/dbraw/zinc/35/73/66/173357366.db2.gz IXWWRFXGNNHWPZ-UHFFFAOYSA-N 1 0 243.306 3.077 10 0 BGAERO C[NH2+]CCCOc1cc(C)ccc1C(C)(C)C ZINC000019777352 173349736 /nfs/dbraw/zinc/34/97/36/173349736.db2.gz MCJSDZNPAMLXRN-UHFFFAOYSA-N 1 0 235.371 3.281 10 0 BGAERO CCC(C)(C)c1ccc(OCCC[NH2+]C)cc1 ZINC000019777353 168306214 /nfs/dbraw/zinc/30/62/14/168306214.db2.gz MFPJYIXHCWVWNL-UHFFFAOYSA-N 1 0 235.371 3.363 10 0 BGAERO C[NH2+]Cc1ccc(OCCc2ccccc2)cc1 ZINC000019777495 173388600 /nfs/dbraw/zinc/38/86/00/173388600.db2.gz XCTKIVXVXSFDGS-UHFFFAOYSA-N 1 0 241.334 3.028 10 0 BGAERO C[NH2+]Cc1cccc(OCCc2ccccc2)c1 ZINC000019777496 173389429 /nfs/dbraw/zinc/38/94/29/173389429.db2.gz RKTDQPSOACBGAV-UHFFFAOYSA-N 1 0 241.334 3.028 10 0 BGAERO C[NH2+]Cc1ccccc1OCCc1ccccc1 ZINC000019777497 173390447 /nfs/dbraw/zinc/39/04/47/173390447.db2.gz PXLQCOQCXJNHCN-UHFFFAOYSA-N 1 0 241.334 3.028 10 0 BGAERO C[NH2+]CCCc1ccc(C(C)(C)C)cc1 ZINC000019785249 173350468 /nfs/dbraw/zinc/35/04/68/173350468.db2.gz HGBOJKQUNCORFO-UHFFFAOYSA-N 1 0 205.345 3.136 10 0 BGAERO [NH3+]CCCc1cccc(OCc2ccccc2)c1 ZINC000019787657 384537168 /nfs/dbraw/zinc/53/71/68/384537168.db2.gz ZOYHKWNLOIONGR-UHFFFAOYSA-N 1 0 241.334 3.157 10 0 BGAERO C[NH2+]CCCCc1ccc(C(C)C)cc1 ZINC000019788120 173346335 /nfs/dbraw/zinc/34/63/35/173346335.db2.gz IOHRMDOSMIZOGX-UHFFFAOYSA-N 1 0 205.345 3.352 10 0 BGAERO C[NH2+]CCCCc1ccc2c(c1)CCCC2 ZINC000019788125 173346018 /nfs/dbraw/zinc/34/60/18/173346018.db2.gz BLPPHQGCUPDVDF-UHFFFAOYSA-N 1 0 217.356 3.108 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1[C@@H](CN)c1cccs1 ZINC000019795935 177117851 /nfs/dbraw/zinc/11/78/51/177117851.db2.gz VTSYJYZZOKKKPD-TUAOUCFPSA-N 1 0 238.400 3.011 10 0 BGAERO CCC(CC)[C@@H](CN)[N@H+](C)C1CCCCC1 ZINC000019802996 168399507 /nfs/dbraw/zinc/39/95/07/168399507.db2.gz DGJNHALWUBLJBB-CQSZACIVSA-N 1 0 226.408 3.014 10 0 BGAERO CCC(CC)[C@@H](C[NH3+])N(CC)c1ccccc1 ZINC000019803017 168399742 /nfs/dbraw/zinc/39/97/42/168399742.db2.gz BMQWKXUHHHWHST-OAHLLOKOSA-N 1 0 234.387 3.276 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)C1CCCCC1 ZINC000019803023 169150878 /nfs/dbraw/zinc/15/08/78/169150878.db2.gz DIBGTXGYUOWYEV-AWEZNQCLSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)C1CCCCC1 ZINC000019803024 169151960 /nfs/dbraw/zinc/15/19/60/169151960.db2.gz DIBGTXGYUOWYEV-CQSZACIVSA-N 1 0 226.408 3.016 10 0 BGAERO CC(C)CCOc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000019803069 166882761 /nfs/dbraw/zinc/88/27/61/166882761.db2.gz IHFQRNJPGUDUFI-ZDUSSCGKSA-N 1 0 235.371 3.391 10 0 BGAERO CC(C)(C)c1cc(CC[NH3+])cc(C(C)(C)C)c1O ZINC000019803175 384996144 /nfs/dbraw/zinc/99/61/44/384996144.db2.gz RNVYCHNNRVFSDL-UHFFFAOYSA-N 1 0 249.398 3.488 10 0 BGAERO CCC(C)(C)c1ccc(OCCCC[NH3+])cc1 ZINC000019803214 168305501 /nfs/dbraw/zinc/30/55/01/168305501.db2.gz LAINQVBOZLKNHC-UHFFFAOYSA-N 1 0 235.371 3.492 10 0 BGAERO CC[C@@H](C[NH3+])N(CC)c1cccc2ccccc21 ZINC000019803558 170822261 /nfs/dbraw/zinc/82/22/61/170822261.db2.gz HCIOGCXTHKEMOH-AWEZNQCLSA-N 1 0 242.366 3.403 10 0 BGAERO CC[C@H](C[NH3+])N(CC)c1cccc2ccccc21 ZINC000019803559 171430393 /nfs/dbraw/zinc/43/03/93/171430393.db2.gz HCIOGCXTHKEMOH-CQSZACIVSA-N 1 0 242.366 3.403 10 0 BGAERO Cc1cc(C)c(C)c(C(=O)[C@H]2CCC[NH2+]C2)c1C ZINC000019803922 177852858 /nfs/dbraw/zinc/85/28/58/177852858.db2.gz KVETUCVQNMBUTE-AWEZNQCLSA-N 1 0 245.366 3.103 10 0 BGAERO CCCCc1ccc(C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000019803933 169021119 /nfs/dbraw/zinc/02/11/19/169021119.db2.gz KEGCMKDWDHNHQG-OAHLLOKOSA-N 1 0 245.366 3.212 10 0 BGAERO CCCCc1ccc(C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000019803934 169020495 /nfs/dbraw/zinc/02/04/95/169020495.db2.gz KEGCMKDWDHNHQG-HNNXBMFYSA-N 1 0 245.366 3.212 10 0 BGAERO CCc1cccc(OCc2cccc(C[NH3+])c2)c1 ZINC000019806563 171865819 /nfs/dbraw/zinc/86/58/19/171865819.db2.gz WFHXUYSTCUCSBT-UHFFFAOYSA-N 1 0 241.334 3.287 10 0 BGAERO CC(C)=CCOc1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019806730 188281656 /nfs/dbraw/zinc/28/16/56/188281656.db2.gz WKVBOQNZWXAFIN-UHFFFAOYSA-N 1 0 243.350 3.408 10 0 BGAERO CC[C@H](C[C@@H](C)CC)NCC(F)(F)F ZINC000019807561 171295344 /nfs/dbraw/zinc/29/53/44/171295344.db2.gz QBYHVVZKIRRCGV-DTWKUNHWSA-N 1 0 211.271 3.353 10 0 BGAERO CC1CC[NH+](C2(CN)CCCCCCC2)CC1 ZINC000019807617 168177328 /nfs/dbraw/zinc/17/73/28/168177328.db2.gz PWTRJJXTKNWVLT-UHFFFAOYSA-N 1 0 238.419 3.160 10 0 BGAERO CCC1CCC(CN)([NH+]2CCC(C)CC2)CC1 ZINC000019807618 168515488 /nfs/dbraw/zinc/51/54/88/168515488.db2.gz NHAVTLPRSYZGHI-UHFFFAOYSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1C1(CN)CCCCCCC1 ZINC000019807664 176069557 /nfs/dbraw/zinc/06/95/57/176069557.db2.gz RVWNTSCJIXJCIH-CQSZACIVSA-N 1 0 238.419 3.303 10 0 BGAERO C[C@@H]1CCC[N@@H+](C2(CN)CCCCCCC2)C1 ZINC000019807705 176096365 /nfs/dbraw/zinc/09/63/65/176096365.db2.gz RODDRRCQDVSBPW-CQSZACIVSA-N 1 0 238.419 3.160 10 0 BGAERO C[C@H]1CCC[N@@H+](C2(CN)CCCCCCC2)C1 ZINC000019807706 177096565 /nfs/dbraw/zinc/09/65/65/177096565.db2.gz RODDRRCQDVSBPW-AWEZNQCLSA-N 1 0 238.419 3.160 10 0 BGAERO CC(C)CC[C@](C)(CN)[NH+]1CCCCCC1 ZINC000019807721 166914917 /nfs/dbraw/zinc/91/49/17/166914917.db2.gz IQBGUHSHDPNLKH-CQSZACIVSA-N 1 0 226.408 3.016 10 0 BGAERO CC(C)[N@H+](C)C1(CN)CCC(C(C)(C)C)CC1 ZINC000019807768 187935336 /nfs/dbraw/zinc/93/53/36/187935336.db2.gz RFDXQYPYQZPPOL-UHFFFAOYSA-N 1 0 240.435 3.260 10 0 BGAERO [NH3+]CC1(N2CCc3ccccc32)CCCCCC1 ZINC000019807776 181359968 /nfs/dbraw/zinc/35/99/68/181359968.db2.gz AMFRNSLIIYCOFW-UHFFFAOYSA-N 1 0 244.382 3.101 10 0 BGAERO C[C@@H]1C[C@@H](C)C[NH+](C2(CN)CCCCCC2)C1 ZINC000019807797 176361152 /nfs/dbraw/zinc/36/11/52/176361152.db2.gz XFKHWSRYZQABNP-ZIAGYGMSSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@H]1C[C@H](C)C[NH+](C2(CN)CCCCCC2)C1 ZINC000019807799 177357440 /nfs/dbraw/zinc/35/74/40/177357440.db2.gz XFKHWSRYZQABNP-KBPBESRZSA-N 1 0 238.419 3.016 10 0 BGAERO CC[C@H](C)C[C@@](CC)(CN)[NH+]1CCCCC1 ZINC000019807825 171296681 /nfs/dbraw/zinc/29/66/81/171296681.db2.gz MLBOVOORVMYRSQ-KBPBESRZSA-N 1 0 226.408 3.016 10 0 BGAERO CC[C@H](C)C[C@](CC)(CN)[NH+]1CCCCC1 ZINC000019807829 171299324 /nfs/dbraw/zinc/29/93/24/171299324.db2.gz MLBOVOORVMYRSQ-UONOGXRCSA-N 1 0 226.408 3.016 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@](CN)([NH+]2CCCCC2)C1 ZINC000019807830 176052415 /nfs/dbraw/zinc/05/24/15/176052415.db2.gz URDCNDUUYABXNA-HIFRSBDPSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@](CN)([NH+]2CCCCC2)C1 ZINC000019807831 177063692 /nfs/dbraw/zinc/06/36/92/177063692.db2.gz URDCNDUUYABXNA-ZFWWWQNUSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@](CN)([NH+]2CCCCC2)C1 ZINC000019807832 176052169 /nfs/dbraw/zinc/05/21/69/176052169.db2.gz URDCNDUUYABXNA-UKRRQHHQSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@H]1CC(C)(C)C[C@](CN)([NH+]2CCCCC2)C1 ZINC000019807833 177063715 /nfs/dbraw/zinc/06/37/15/177063715.db2.gz URDCNDUUYABXNA-DZGCQCFKSA-N 1 0 238.419 3.016 10 0 BGAERO CC(C)C[C@@](C)(C[NH3+])N1CCCc2ccccc21 ZINC000019807845 535296050 /nfs/dbraw/zinc/29/60/50/535296050.db2.gz IYSDPMXZQZYTQQ-INIZCTEOSA-N 1 0 246.398 3.203 10 0 BGAERO CC(C)C[C@](C)(C[NH3+])N1CCCc2ccccc21 ZINC000019807846 132327566 /nfs/dbraw/zinc/32/75/66/132327566.db2.gz IYSDPMXZQZYTQQ-MRXNPFEDSA-N 1 0 246.398 3.203 10 0 BGAERO [NH3+]CC1(N2CCCc3ccccc32)CCCCC1 ZINC000019807848 132327595 /nfs/dbraw/zinc/32/75/95/132327595.db2.gz SARUKRVYWDSUEP-UHFFFAOYSA-N 1 0 244.382 3.101 10 0 BGAERO CCC[NH+](CCC)[C@@]1(CN)CCC[C@@H](C)C1 ZINC000019807854 169152536 /nfs/dbraw/zinc/15/25/36/169152536.db2.gz BHTJJPBVWAFBLO-KGLIPLIRSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)[C@]1(CN)CCC[C@@H](C)C1 ZINC000019807855 169152997 /nfs/dbraw/zinc/15/29/97/169152997.db2.gz BHTJJPBVWAFBLO-ZIAGYGMSSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)[C@@]1(CN)CCC[C@H](C)C1 ZINC000019807857 169152541 /nfs/dbraw/zinc/15/25/41/169152541.db2.gz BHTJJPBVWAFBLO-KBPBESRZSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)[C@]1(CN)CCC[C@H](C)C1 ZINC000019807858 169152855 /nfs/dbraw/zinc/15/28/55/169152855.db2.gz BHTJJPBVWAFBLO-UONOGXRCSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)C1(CN)CCC(C)CC1 ZINC000019807860 169145988 /nfs/dbraw/zinc/14/59/88/169145988.db2.gz OLKYIDPULKKKDY-UHFFFAOYSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)C1(CN)CCCCCC1 ZINC000019807864 169145507 /nfs/dbraw/zinc/14/55/07/169145507.db2.gz GZPUYKXRYYXHAV-UHFFFAOYSA-N 1 0 226.408 3.160 10 0 BGAERO CCC[NH+](CCC)[C@@](C)(CN)CCC(C)C ZINC000019807871 169152200 /nfs/dbraw/zinc/15/22/00/169152200.db2.gz IXIISXGWWAHDMR-CQSZACIVSA-N 1 0 228.424 3.262 10 0 BGAERO CCC[NH+](CCC)[C@](C)(CN)CCC(C)C ZINC000019807872 169152162 /nfs/dbraw/zinc/15/21/62/169152162.db2.gz IXIISXGWWAHDMR-AWEZNQCLSA-N 1 0 228.424 3.262 10 0 BGAERO CCC[NH+](CCC)[C@@]1(CN)CCCC[C@@H]1C ZINC000019807874 169152322 /nfs/dbraw/zinc/15/23/22/169152322.db2.gz CSBAGNTWXWDZDB-UONOGXRCSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)[C@]1(CN)CCCC[C@@H]1C ZINC000019807875 169152708 /nfs/dbraw/zinc/15/27/08/169152708.db2.gz CSBAGNTWXWDZDB-KBPBESRZSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)[C@@]1(CN)CCCC[C@H]1C ZINC000019807876 169152771 /nfs/dbraw/zinc/15/27/71/169152771.db2.gz CSBAGNTWXWDZDB-ZIAGYGMSSA-N 1 0 226.408 3.016 10 0 BGAERO CCC[NH+](CCC)[C@]1(CN)CCCC[C@H]1C ZINC000019807877 169151990 /nfs/dbraw/zinc/15/19/90/169151990.db2.gz CSBAGNTWXWDZDB-KGLIPLIRSA-N 1 0 226.408 3.016 10 0 BGAERO C[C@@H]1CCCC[C@@]1(CN)[N@H+](C)Cc1ccccc1 ZINC000019807925 176083501 /nfs/dbraw/zinc/08/35/01/176083501.db2.gz WWUHXHIEXMMHQK-ZBFHGGJFSA-N 1 0 246.398 3.026 10 0 BGAERO C[C@H]1CCCC[C@@]1(CN)[N@H+](C)Cc1ccccc1 ZINC000019807927 177085244 /nfs/dbraw/zinc/08/52/44/177085244.db2.gz WWUHXHIEXMMHQK-HOCLYGCPSA-N 1 0 246.398 3.026 10 0 BGAERO C[C@@H]1CCCC[C@]1(CN)[N@H+](C)Cc1ccccc1 ZINC000019807928 176090510 /nfs/dbraw/zinc/09/05/10/176090510.db2.gz WWUHXHIEXMMHQK-GDBMZVCRSA-N 1 0 246.398 3.026 10 0 BGAERO C[C@H]1CCCC[C@]1(CN)[N@H+](C)Cc1ccccc1 ZINC000019807929 177090112 /nfs/dbraw/zinc/09/01/12/177090112.db2.gz WWUHXHIEXMMHQK-GOEBONIOSA-N 1 0 246.398 3.026 10 0 BGAERO [NH3+]CCOc1ccc(-c2ccccc2)cc1Cl ZINC000019808128 181399163 /nfs/dbraw/zinc/39/91/63/181399163.db2.gz ZOQMQZLDELVZHW-UHFFFAOYSA-N 1 0 247.725 3.345 10 0 BGAERO [NH3+]CCCSc1cc(Cl)ccc1Cl ZINC000019808129 181384246 /nfs/dbraw/zinc/38/42/46/181384246.db2.gz BJGFNOXFNNEOHS-UHFFFAOYSA-N 1 0 236.167 3.434 10 0 BGAERO CC(C)[C@@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000019808180 188172795 /nfs/dbraw/zinc/17/27/95/188172795.db2.gz MRFWURBGDWZUOO-UONOGXRCSA-N 1 0 203.329 3.383 10 0 BGAERO CC(C)[C@H]1CCC[NH2+][C@@H]1c1ccccc1 ZINC000019808181 188003413 /nfs/dbraw/zinc/00/34/13/188003413.db2.gz MRFWURBGDWZUOO-ZIAGYGMSSA-N 1 0 203.329 3.383 10 0 BGAERO CC(C)[C@@H]1CCC[NH2+][C@H]1c1ccccc1 ZINC000019808183 188172682 /nfs/dbraw/zinc/17/26/82/188172682.db2.gz MRFWURBGDWZUOO-KBPBESRZSA-N 1 0 203.329 3.383 10 0 BGAERO CCCc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000019808195 169574043 /nfs/dbraw/zinc/57/40/43/169574043.db2.gz NVVXISSLEOFQNU-AWEZNQCLSA-N 1 0 203.329 3.454 10 0 BGAERO CCCc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000019808196 589984971 /nfs/dbraw/zinc/98/49/71/589984971.db2.gz NVVXISSLEOFQNU-CQSZACIVSA-N 1 0 203.329 3.454 10 0 BGAERO CCC(C)(C)c1ccc(OCCCC(N)=[NH2+])cc1 ZINC000019808670 168306166 /nfs/dbraw/zinc/30/61/66/168306166.db2.gz OLDWMMMBSAWMFG-UHFFFAOYSA-N 1 0 248.370 3.469 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000019808888 170967904 /nfs/dbraw/zinc/96/79/04/170967904.db2.gz UMNUJXCFVKSWQZ-RDBSUJKOSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@H]1CCCC[C@@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000019808891 171610659 /nfs/dbraw/zinc/61/06/59/171610659.db2.gz UMNUJXCFVKSWQZ-IHRRRGAJSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@@H]1CCCC[C@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000019808892 170971586 /nfs/dbraw/zinc/97/15/86/170971586.db2.gz UMNUJXCFVKSWQZ-HZSPNIEDSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@H]1CCCC[C@H]1OC[C@@H]1CCCC[NH2+]1 ZINC000019808893 171612969 /nfs/dbraw/zinc/61/29/69/171612969.db2.gz UMNUJXCFVKSWQZ-MELADBBJSA-N 1 0 225.376 3.114 10 0 BGAERO CC(C)c1cccc(OC[C@@H]2CCCC[NH2+]2)c1 ZINC000019808926 167634535 /nfs/dbraw/zinc/63/45/35/167634535.db2.gz ISVYPMHFNZDJJE-AWEZNQCLSA-N 1 0 233.355 3.331 10 0 BGAERO CC(C)c1cccc(OC[C@H]2CCCC[NH2+]2)c1 ZINC000019808928 167634656 /nfs/dbraw/zinc/63/46/56/167634656.db2.gz ISVYPMHFNZDJJE-CQSZACIVSA-N 1 0 233.355 3.331 10 0 BGAERO c1ccc2c(c1)cccc2OC[C@@H]1CCCC[NH2+]1 ZINC000019808958 183440392 /nfs/dbraw/zinc/44/03/92/183440392.db2.gz OSKZMZYINSAHAM-AWEZNQCLSA-N 1 0 241.334 3.361 10 0 BGAERO c1ccc2c(c1)cccc2OC[C@H]1CCCC[NH2+]1 ZINC000019808959 183440405 /nfs/dbraw/zinc/44/04/05/183440405.db2.gz OSKZMZYINSAHAM-CQSZACIVSA-N 1 0 241.334 3.361 10 0 BGAERO COc1ccc2cc(C3=CC[NH2+]CC3)ccc2c1 ZINC000019811376 175224288 /nfs/dbraw/zinc/22/42/88/175224288.db2.gz DFHIYYVHHKCQKG-UHFFFAOYSA-N 1 0 239.318 3.225 10 0 BGAERO CC(C)(C)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000019811413 187253031 /nfs/dbraw/zinc/25/30/31/187253031.db2.gz QCVKVGREBSJJBI-UHFFFAOYSA-N 1 0 215.340 3.361 10 0 BGAERO CCCOc1ccc(-c2csc(C[NH3+])n2)cc1 ZINC000019817737 169316544 /nfs/dbraw/zinc/31/65/44/169316544.db2.gz DQJUKZBFVODGMM-UHFFFAOYSA-N 1 0 248.351 3.058 10 0 BGAERO CC(C)Oc1ccc(-c2csc(C[NH3+])n2)cc1 ZINC000019817763 167287491 /nfs/dbraw/zinc/28/74/91/167287491.db2.gz HRWFISLECAIYBD-UHFFFAOYSA-N 1 0 248.351 3.056 10 0 BGAERO CCC(C)(C)[C@@H]1CCc2nc(C[NH3+])sc2C1 ZINC000019817796 168304096 /nfs/dbraw/zinc/30/40/96/168304096.db2.gz ZXTWDZMCIRBKRI-SECBINFHSA-N 1 0 238.400 3.143 10 0 BGAERO CCC(C)(C)[C@H]1CCc2nc(C[NH3+])sc2C1 ZINC000019817799 168305586 /nfs/dbraw/zinc/30/55/86/168305586.db2.gz ZXTWDZMCIRBKRI-VIFPVBQESA-N 1 0 238.400 3.143 10 0 BGAERO COc1ccc2cc(C3CC[NH2+]CC3)ccc2c1 ZINC000019835059 175224956 /nfs/dbraw/zinc/22/49/56/175224956.db2.gz BRMUGIJSYFRNGN-UHFFFAOYSA-N 1 0 241.334 3.315 10 0 BGAERO CC(C)Cc1ccc(C2CC[NH2+]CC2)cc1 ZINC000019835066 187252864 /nfs/dbraw/zinc/25/28/64/187252864.db2.gz XOLKOAIOIAPUEE-UHFFFAOYSA-N 1 0 217.356 3.352 10 0 BGAERO Cc1cc(C)c(C2CC[NH2+]CC2)c(C)c1 ZINC000019835070 384994671 /nfs/dbraw/zinc/99/46/71/384994671.db2.gz FGMJYVSNOXHFLB-UHFFFAOYSA-N 1 0 203.329 3.079 10 0 BGAERO CC(C)c1ccc(C2CC[NH2+]CC2)cc1 ZINC000019835075 167592074 /nfs/dbraw/zinc/59/20/74/167592074.db2.gz YOJXFKOJFBZJOD-UHFFFAOYSA-N 1 0 203.329 3.277 10 0 BGAERO c1c2c(sc1[C@@H]1CCC[NH2+]1)CCCCC2 ZINC000019835232 183321763 /nfs/dbraw/zinc/32/17/63/183321763.db2.gz HSJJBRUJCKLORL-NSHDSACASA-N 1 0 221.369 3.442 10 0 BGAERO c1c2c(sc1[C@H]1CCC[NH2+]1)CCCCC2 ZINC000019835234 183321407 /nfs/dbraw/zinc/32/14/07/183321407.db2.gz HSJJBRUJCKLORL-LLVKDONJSA-N 1 0 221.369 3.442 10 0 BGAERO c1c2c(sc1[C@@H]1CCC[NH2+]1)CCCC2 ZINC000019835236 183321115 /nfs/dbraw/zinc/32/11/15/183321115.db2.gz CHKRTQOUXNQMAL-JTQLQIEISA-N 1 0 207.342 3.051 10 0 BGAERO c1c2c(sc1[C@H]1CCC[NH2+]1)CCCC2 ZINC000019835238 183322371 /nfs/dbraw/zinc/32/23/71/183322371.db2.gz CHKRTQOUXNQMAL-SNVBAGLBSA-N 1 0 207.342 3.051 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2cccs2)c1C ZINC000019842017 179185874 /nfs/dbraw/zinc/18/58/74/179185874.db2.gz DYCCUIZJSWOHFJ-CYBMUJFWSA-N 1 0 217.337 3.413 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2cccs2)c1C ZINC000019842021 179201111 /nfs/dbraw/zinc/20/11/11/179201111.db2.gz DYCCUIZJSWOHFJ-ZDUSSCGKSA-N 1 0 217.337 3.413 10 0 BGAERO Cc1ccc([C@H]([NH3+])c2cccs2)cc1F ZINC000019842095 178910594 /nfs/dbraw/zinc/91/05/94/178910594.db2.gz WTORAUGTYXLIKB-LBPRGKRZSA-N 1 0 221.300 3.244 10 0 BGAERO COc1cc([C@@H]([NH3+])c2cccs2)ccc1C ZINC000019842283 175013960 /nfs/dbraw/zinc/01/39/60/175013960.db2.gz OVJBZMTYGCOQNA-CYBMUJFWSA-N 1 0 233.336 3.113 10 0 BGAERO COc1cc([C@H]([NH3+])c2cccs2)ccc1C ZINC000019842287 175017196 /nfs/dbraw/zinc/01/71/96/175017196.db2.gz OVJBZMTYGCOQNA-ZDUSSCGKSA-N 1 0 233.336 3.113 10 0 BGAERO NC(=[NH2+])CCCSc1ccc(Cl)cc1 ZINC000019847966 181186691 /nfs/dbraw/zinc/18/66/91/181186691.db2.gz BOLZZHLMSBLLTN-UHFFFAOYSA-N 1 0 228.748 3.148 10 0 BGAERO NC(=[NH2+])c1ccccc1CSc1ccccc1 ZINC000019847968 181195852 /nfs/dbraw/zinc/19/58/52/181195852.db2.gz ACOOOWWLDCTKDK-UHFFFAOYSA-N 1 0 242.347 3.263 10 0 BGAERO NC(=[NH2+])c1cccc(CSc2ccccc2)c1 ZINC000019847973 181196222 /nfs/dbraw/zinc/19/62/22/181196222.db2.gz IYKULGTWWOACSH-UHFFFAOYSA-N 1 0 242.347 3.263 10 0 BGAERO NC(=[NH2+])CSc1cc(Cl)ccc1Cl ZINC000019848066 181186544 /nfs/dbraw/zinc/18/65/44/181186544.db2.gz UDCOYQQSDZGQCI-UHFFFAOYSA-N 1 0 235.139 3.021 10 0 BGAERO NC(=[NH2+])CCSc1cc(Cl)ccc1Cl ZINC000019848067 181186499 /nfs/dbraw/zinc/18/64/99/181186499.db2.gz SLPBYQBPXZVJJA-UHFFFAOYSA-N 1 0 249.166 3.412 10 0 BGAERO NC(=[NH2+])CCCSc1ccccc1Cl ZINC000019848138 181186210 /nfs/dbraw/zinc/18/62/10/181186210.db2.gz FDDPWTAHHTYLHV-UHFFFAOYSA-N 1 0 228.748 3.148 10 0 BGAERO [NH3+]Cc1ccc(N2CCCc3ccccc32)cc1 ZINC000019865412 132327931 /nfs/dbraw/zinc/32/79/31/132327931.db2.gz CWQGJPUHIYXPAZ-UHFFFAOYSA-N 1 0 238.334 3.230 10 0 BGAERO C[C@H]1Cc2ccccc2N1c1ccc(C[NH3+])cc1 ZINC000019865468 177390837 /nfs/dbraw/zinc/39/08/37/177390837.db2.gz JBAOGNAZUVCFLH-LBPRGKRZSA-N 1 0 238.334 3.228 10 0 BGAERO COc1cc(C)ccc1Oc1ccc(C[NH3+])cc1 ZINC000019865552 174970017 /nfs/dbraw/zinc/97/00/17/174970017.db2.gz CXWKWFYYXUTPPB-UHFFFAOYSA-N 1 0 243.306 3.255 10 0 BGAERO CC1CCC(Oc2ccc(C[NH3+])cc2)CC1 ZINC000019865562 187252650 /nfs/dbraw/zinc/25/26/50/187252650.db2.gz XONKNZGHFHZSFX-UHFFFAOYSA-N 1 0 219.328 3.103 10 0 BGAERO CC[C@@H]1CCCC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC000019865570 170971860 /nfs/dbraw/zinc/97/18/60/170971860.db2.gz CXLKPYDKNFGFBS-UKRRQHHQSA-N 1 0 233.355 3.493 10 0 BGAERO C[C@@H]1CCCC[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC000019865576 176082965 /nfs/dbraw/zinc/08/29/65/176082965.db2.gz CRFCSDDQDWBRNI-RISCZKNCSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCCC[C@@H]1Oc1ccc(C[NH3+])cc1 ZINC000019865579 177084361 /nfs/dbraw/zinc/08/43/61/177084361.db2.gz CRFCSDDQDWBRNI-FZMZJTMJSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H]1CCCC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC000019865582 176090427 /nfs/dbraw/zinc/09/04/27/176090427.db2.gz CRFCSDDQDWBRNI-BXUZGUMPSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCCC[C@H]1Oc1ccc(C[NH3+])cc1 ZINC000019865586 177090400 /nfs/dbraw/zinc/09/04/00/177090400.db2.gz CRFCSDDQDWBRNI-SMDDNHRTSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H](Oc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000019865612 176004050 /nfs/dbraw/zinc/00/40/50/176004050.db2.gz CSIJIHOATHFENG-GFCCVEGCSA-N 1 0 227.307 3.285 10 0 BGAERO C[C@H](Oc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000019865615 177022351 /nfs/dbraw/zinc/02/23/51/177022351.db2.gz CSIJIHOATHFENG-LBPRGKRZSA-N 1 0 227.307 3.285 10 0 BGAERO CCN(c1ccc(C(N)=[NH2+])cc1)C1CCCCC1 ZINC000019865880 169941246 /nfs/dbraw/zinc/94/12/46/169941246.db2.gz NCLJYIYPYXSBST-UHFFFAOYSA-N 1 0 245.370 3.130 10 0 BGAERO NC(=[NH2+])c1ccc(Oc2ccccc2Cl)cc1 ZINC000019866027 181195115 /nfs/dbraw/zinc/19/51/15/181195115.db2.gz KNZWUWKFTNJSJZ-UHFFFAOYSA-N 1 0 246.697 3.416 10 0 BGAERO NC(=[NH2+])c1ccc(Oc2ccc(Cl)cc2)cc1 ZINC000019866030 181195159 /nfs/dbraw/zinc/19/51/59/181195159.db2.gz JTWGPMYNUYVEBQ-UHFFFAOYSA-N 1 0 246.697 3.416 10 0 BGAERO Cc1cccc(Oc2ccc(C(N)=[NH2+])cc2)c1 ZINC000019866061 179175582 /nfs/dbraw/zinc/17/55/82/179175582.db2.gz HTQXDEVSPIQKPY-UHFFFAOYSA-N 1 0 226.279 3.071 10 0 BGAERO Cc1ccccc1Oc1ccc(C(N)=[NH2+])cc1 ZINC000019866067 179314606 /nfs/dbraw/zinc/31/46/06/179314606.db2.gz OJYWRSLDWRLFFE-UHFFFAOYSA-N 1 0 226.279 3.071 10 0 BGAERO NC(=[NH2+])c1ccc(Oc2cccc(Cl)c2)cc1 ZINC000019866089 181194798 /nfs/dbraw/zinc/19/47/98/181194798.db2.gz IXZQANICERQVPQ-UHFFFAOYSA-N 1 0 246.697 3.416 10 0 BGAERO C[C@@H](Oc1ccc(C(N)=[NH2+])cc1)c1ccccc1 ZINC000019866212 176004209 /nfs/dbraw/zinc/00/42/09/176004209.db2.gz ZUOQBZLTLUFDHG-LLVKDONJSA-N 1 0 240.306 3.111 10 0 BGAERO C[C@H](Oc1ccc(C(N)=[NH2+])cc1)c1ccccc1 ZINC000019866215 177022327 /nfs/dbraw/zinc/02/23/27/177022327.db2.gz ZUOQBZLTLUFDHG-NSHDSACASA-N 1 0 240.306 3.111 10 0 BGAERO NC(=[NH2+])c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000019866284 181194965 /nfs/dbraw/zinc/19/49/65/181194965.db2.gz ZLAVAHYHXMWLOR-UHFFFAOYSA-N 1 0 248.232 3.041 10 0 BGAERO Cc1cccc(Oc2ccc(C(N)=[NH2+])cc2)c1C ZINC000019866331 179175546 /nfs/dbraw/zinc/17/55/46/179175546.db2.gz WERGXBUDOKBWOO-UHFFFAOYSA-N 1 0 240.306 3.380 10 0 BGAERO NC(=[NH2+])c1ccc(Sc2ccccc2)cc1 ZINC000019866389 181195044 /nfs/dbraw/zinc/19/50/44/181195044.db2.gz SUTBHOBAJOHVOZ-UHFFFAOYSA-N 1 0 228.320 3.122 10 0 BGAERO NC(=[NH2+])c1ccc(SCc2ccccc2)cc1 ZINC000019866403 181195156 /nfs/dbraw/zinc/19/51/56/181195156.db2.gz VMJWSMMGIUIMDS-UHFFFAOYSA-N 1 0 242.347 3.263 10 0 BGAERO NC(=[NH2+])c1ccc(Sc2ccccc2F)cc1 ZINC000019866425 181194913 /nfs/dbraw/zinc/19/49/13/181194913.db2.gz IQMFHYNTRTWMOF-UHFFFAOYSA-N 1 0 246.310 3.261 10 0 BGAERO NC(=[NH2+])c1ccc(Sc2ccc(F)cc2)cc1 ZINC000019866446 181194966 /nfs/dbraw/zinc/19/49/66/181194966.db2.gz SRUNKDBUVSQCRC-UHFFFAOYSA-N 1 0 246.310 3.261 10 0 BGAERO CC[C@@H](C)SCc1ccccc1C(N)=[NH2+] ZINC000019870361 170766737 /nfs/dbraw/zinc/76/67/37/170766737.db2.gz OJFJCULJMDPYPV-SECBINFHSA-N 1 0 222.357 3.002 10 0 BGAERO CC[C@H](C)SCc1ccccc1C(N)=[NH2+] ZINC000019870362 171357321 /nfs/dbraw/zinc/35/73/21/171357321.db2.gz OJFJCULJMDPYPV-VIFPVBQESA-N 1 0 222.357 3.002 10 0 BGAERO CC[C@@H](C)SCc1ccc(C(N)=[NH2+])cc1 ZINC000019870363 170766850 /nfs/dbraw/zinc/76/68/50/170766850.db2.gz VXIGBULVQFTCCC-SECBINFHSA-N 1 0 222.357 3.002 10 0 BGAERO CC[C@H](C)SCc1ccc(C(N)=[NH2+])cc1 ZINC000019870364 171356971 /nfs/dbraw/zinc/35/69/71/171356971.db2.gz VXIGBULVQFTCCC-VIFPVBQESA-N 1 0 222.357 3.002 10 0 BGAERO CC[C@H](C)SCc1ccc(C(N)=[NH2+])cc1F ZINC000019870368 171357413 /nfs/dbraw/zinc/35/74/13/171357413.db2.gz QHFJXGIPDVCNLL-QMMMGPOBSA-N 1 0 240.347 3.141 10 0 BGAERO CC[C@H](C)SCc1cccc(C(N)=[NH2+])c1 ZINC000019870374 171356731 /nfs/dbraw/zinc/35/67/31/171356731.db2.gz KPSOVGLXFFYDOM-VIFPVBQESA-N 1 0 222.357 3.002 10 0 BGAERO CC(C)(C)SCc1ccc(C(N)=[NH2+])cc1F ZINC000019870386 166690612 /nfs/dbraw/zinc/69/06/12/166690612.db2.gz GTVRPRDESOVFKL-UHFFFAOYSA-N 1 0 240.347 3.141 10 0 BGAERO CC(C)(C)SCc1cccc(C(N)=[NH2+])c1 ZINC000019870389 166690987 /nfs/dbraw/zinc/69/09/87/166690987.db2.gz KSZYZIBAKQEILX-UHFFFAOYSA-N 1 0 222.357 3.002 10 0 BGAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCC(C)CC1 ZINC000019871937 132328166 /nfs/dbraw/zinc/32/81/66/132328166.db2.gz DSKQNUVNEQYSKQ-LLVKDONJSA-N 1 0 236.334 3.082 10 0 BGAERO C[C@H]([NH3+])c1cc(F)ccc1N1CCC(C)CC1 ZINC000019871939 132328269 /nfs/dbraw/zinc/32/82/69/132328269.db2.gz DSKQNUVNEQYSKQ-NSHDSACASA-N 1 0 236.334 3.082 10 0 BGAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCC(C)CC1 ZINC000019871941 132328158 /nfs/dbraw/zinc/32/81/58/132328158.db2.gz PAFXPKNPZRZGAJ-LLVKDONJSA-N 1 0 236.334 3.082 10 0 BGAERO C[C@H]([NH3+])c1c(F)cccc1N1CCC(C)CC1 ZINC000019871943 132328278 /nfs/dbraw/zinc/32/82/78/132328278.db2.gz PAFXPKNPZRZGAJ-NSHDSACASA-N 1 0 236.334 3.082 10 0 BGAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCCC[C@@H]1C ZINC000019872006 132328600 /nfs/dbraw/zinc/32/86/00/132328600.db2.gz KZEWYOJPGXUDPP-WDEREUQCSA-N 1 0 236.334 3.224 10 0 BGAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCCC[C@@H]1C ZINC000019872010 132328567 /nfs/dbraw/zinc/32/85/67/132328567.db2.gz VNOJJKMHROKZBN-WDEREUQCSA-N 1 0 236.334 3.224 10 0 BGAERO C[C@H]([NH3+])c1c(F)cccc1N1CCCC[C@@H]1C ZINC000019872012 132328521 /nfs/dbraw/zinc/32/85/21/132328521.db2.gz VNOJJKMHROKZBN-QWRGUYRKSA-N 1 0 236.334 3.224 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N1CCCC[C@@H]1C ZINC000019872014 132328493 /nfs/dbraw/zinc/32/84/93/132328493.db2.gz DNFVYUSMVYRSGS-NWDGAFQWSA-N 1 0 218.344 3.085 10 0 BGAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCC[C@@H](C)C1 ZINC000019872099 132328573 /nfs/dbraw/zinc/32/85/73/132328573.db2.gz PILMOMNLVURJHQ-GHMZBOCLSA-N 1 0 236.334 3.082 10 0 BGAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCC[C@H](C)C1 ZINC000019872101 132328540 /nfs/dbraw/zinc/32/85/40/132328540.db2.gz PILMOMNLVURJHQ-WDEREUQCSA-N 1 0 236.334 3.082 10 0 BGAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCC[C@@H](C)C1 ZINC000019872103 132328467 /nfs/dbraw/zinc/32/84/67/132328467.db2.gz QERZUDZUQAQCSX-GHMZBOCLSA-N 1 0 236.334 3.082 10 0 BGAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCC[C@H](C)C1 ZINC000019872105 132328453 /nfs/dbraw/zinc/32/84/53/132328453.db2.gz QERZUDZUQAQCSX-WDEREUQCSA-N 1 0 236.334 3.082 10 0 BGAERO C[C@H]([NH3+])c1c(F)cccc1N1CCCCCC1 ZINC000019872121 176774362 /nfs/dbraw/zinc/77/43/62/176774362.db2.gz KDZYUCRXEBCZNN-NSHDSACASA-N 1 0 236.334 3.226 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N1CCCCCC1 ZINC000019872123 343139895 /nfs/dbraw/zinc/13/98/95/343139895.db2.gz GWJPFDDPRRPBNX-GFCCVEGCSA-N 1 0 218.344 3.087 10 0 BGAERO C[C@H]([NH3+])c1ccccc1N1CCCCCC1 ZINC000019872125 187418063 /nfs/dbraw/zinc/41/80/63/187418063.db2.gz GWJPFDDPRRPBNX-LBPRGKRZSA-N 1 0 218.344 3.087 10 0 BGAERO CCCN(CCC)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000019872171 169152901 /nfs/dbraw/zinc/15/29/01/169152901.db2.gz OFFKMHFUNHOGEH-LLVKDONJSA-N 1 0 238.350 3.472 10 0 BGAERO CCCN(CCC)c1ccc(F)cc1[C@H](C)[NH3+] ZINC000019872173 169152961 /nfs/dbraw/zinc/15/29/61/169152961.db2.gz OFFKMHFUNHOGEH-NSHDSACASA-N 1 0 238.350 3.472 10 0 BGAERO CCCN(CCC)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000019872179 169154046 /nfs/dbraw/zinc/15/40/46/169154046.db2.gz AWKKJDWNGPTOSC-LLVKDONJSA-N 1 0 238.350 3.472 10 0 BGAERO CCCN(CCC)c1cccc(F)c1[C@H](C)[NH3+] ZINC000019872181 169153334 /nfs/dbraw/zinc/15/33/34/169153334.db2.gz AWKKJDWNGPTOSC-NSHDSACASA-N 1 0 238.350 3.472 10 0 BGAERO CCCN(CCC)c1ccccc1[C@@H](C)[NH3+] ZINC000019872183 169154447 /nfs/dbraw/zinc/15/44/47/169154447.db2.gz QKVFHTIAHJYMKP-GFCCVEGCSA-N 1 0 220.360 3.333 10 0 BGAERO CCCN(CCC)c1ccccc1[C@H](C)[NH3+] ZINC000019872185 169153874 /nfs/dbraw/zinc/15/38/74/169153874.db2.gz QKVFHTIAHJYMKP-LBPRGKRZSA-N 1 0 220.360 3.333 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N(C)Cc1ccccc1 ZINC000019872229 188461578 /nfs/dbraw/zinc/46/15/78/188461578.db2.gz MHJLDLVTUOVXCM-CYBMUJFWSA-N 1 0 240.350 3.343 10 0 BGAERO CCCCN(CC)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000019872345 168803931 /nfs/dbraw/zinc/80/39/31/168803931.db2.gz PHCLPNCVDMGAGT-LLVKDONJSA-N 1 0 238.350 3.472 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N1C[C@H](C)C[C@@H](C)C1 ZINC000019872541 132328489 /nfs/dbraw/zinc/32/84/89/132328489.db2.gz AQXDDNUBOMTYBD-JHJVBQTASA-N 1 0 232.371 3.189 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N1C[C@H](C)C[C@H](C)C1 ZINC000019872543 132328602 /nfs/dbraw/zinc/32/86/02/132328602.db2.gz AQXDDNUBOMTYBD-FRRDWIJNSA-N 1 0 232.371 3.189 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N1C[C@@H](C)C[C@H](C)C1 ZINC000019872546 132328482 /nfs/dbraw/zinc/32/84/82/132328482.db2.gz AQXDDNUBOMTYBD-RWMBFGLXSA-N 1 0 232.371 3.189 10 0 BGAERO C[C@@H]([NH3+])c1ccc(OC2CCCC2)c(F)c1 ZINC000019873090 175817843 /nfs/dbraw/zinc/81/78/43/175817843.db2.gz ILZZCKWMXFNFPV-SECBINFHSA-N 1 0 223.291 3.167 10 0 BGAERO C[C@H]([NH3+])c1ccc(OC2CCCC2)c(F)c1 ZINC000019873091 176776963 /nfs/dbraw/zinc/77/69/63/176776963.db2.gz ILZZCKWMXFNFPV-VIFPVBQESA-N 1 0 223.291 3.167 10 0 BGAERO C[C@H]([NH3+])c1cc(F)ccc1OC1CCCC1 ZINC000019873093 176774186 /nfs/dbraw/zinc/77/41/86/176774186.db2.gz ORGLTCUINPMHHQ-VIFPVBQESA-N 1 0 223.291 3.167 10 0 BGAERO CCCSc1ccc([C@@H](C)[NH3+])cc1F ZINC000019873823 169341566 /nfs/dbraw/zinc/34/15/66/169341566.db2.gz GSAZFGFDTGUCLJ-MRVPVSSYSA-N 1 0 213.321 3.348 10 0 BGAERO CCCSc1ccc([C@H](C)[NH3+])cc1F ZINC000019873824 169341185 /nfs/dbraw/zinc/34/11/85/169341185.db2.gz GSAZFGFDTGUCLJ-QMMMGPOBSA-N 1 0 213.321 3.348 10 0 BGAERO CCCSc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000019873825 169341536 /nfs/dbraw/zinc/34/15/36/169341536.db2.gz XHIPGKRJFLRWOC-MRVPVSSYSA-N 1 0 213.321 3.348 10 0 BGAERO CCCSc1ccc(F)cc1[C@H](C)[NH3+] ZINC000019873826 169341085 /nfs/dbraw/zinc/34/10/85/169341085.db2.gz XHIPGKRJFLRWOC-QMMMGPOBSA-N 1 0 213.321 3.348 10 0 BGAERO CCCSc1cccc(F)c1[C@@H](C)[NH3+] ZINC000019873829 169341568 /nfs/dbraw/zinc/34/15/68/169341568.db2.gz YEOGJKLNYPITSE-MRVPVSSYSA-N 1 0 213.321 3.348 10 0 BGAERO CCCSc1cccc(F)c1[C@H](C)[NH3+] ZINC000019873830 169341361 /nfs/dbraw/zinc/34/13/61/169341361.db2.gz YEOGJKLNYPITSE-QMMMGPOBSA-N 1 0 213.321 3.348 10 0 BGAERO C[C@@H]([NH3+])c1ccc(Sc2ccccn2)cc1 ZINC000019874002 175817690 /nfs/dbraw/zinc/81/76/90/175817690.db2.gz OPDLZHHEKABUDM-SNVBAGLBSA-N 1 0 230.336 3.253 10 0 BGAERO COc1cc([C@@H](C)[NH2+]C2CCCCC2)ccc1O ZINC000019879089 175013521 /nfs/dbraw/zinc/01/35/21/175013521.db2.gz RBAFMIYDOPFRPA-LLVKDONJSA-N 1 0 249.354 3.384 10 0 BGAERO COc1cc([C@H](C)[NH2+]C2CCCCC2)ccc1O ZINC000019879091 175015760 /nfs/dbraw/zinc/01/57/60/175015760.db2.gz RBAFMIYDOPFRPA-NSHDSACASA-N 1 0 249.354 3.384 10 0 BGAERO CCC(C)(C)[NH2+]Cc1c(F)cccc1F ZINC000019879729 168299035 /nfs/dbraw/zinc/29/90/35/168299035.db2.gz SZBCCOMPIOHDRU-UHFFFAOYSA-N 1 0 213.271 3.243 10 0 BGAERO CC(C)[NH2+][C@@H](c1ccccc1)c1ccc(O)cc1 ZINC000019880583 167134111 /nfs/dbraw/zinc/13/41/11/167134111.db2.gz VBCKTJKTXZLWDY-INIZCTEOSA-N 1 0 241.334 3.480 10 0 BGAERO CC(C)[NH2+][C@H](c1ccccc1)c1ccc(O)cc1 ZINC000019880585 167140710 /nfs/dbraw/zinc/14/07/10/167140710.db2.gz VBCKTJKTXZLWDY-MRXNPFEDSA-N 1 0 241.334 3.480 10 0 BGAERO CC[C@H](C)[NH2+][C@@H](CC)c1ccc(O)cc1 ZINC000019882323 171345805 /nfs/dbraw/zinc/34/58/05/171345805.db2.gz GXSDKVVYZUZSQV-GWCFXTLKSA-N 1 0 207.317 3.231 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)CC)c1ccc(O)cc1 ZINC000019882327 171347860 /nfs/dbraw/zinc/34/78/60/171347860.db2.gz GXSDKVVYZUZSQV-GXFFZTMASA-N 1 0 207.317 3.231 10 0 BGAERO CC[C@H]([NH2+]CC(C)C)c1ccc(O)cc1 ZINC000019883106 171517016 /nfs/dbraw/zinc/51/70/16/171517016.db2.gz PINIYMOUIVKNEZ-ZDUSSCGKSA-N 1 0 207.317 3.089 10 0 BGAERO CC[C@H]([NH2+]C1CCCC1)c1ccc(O)cc1 ZINC000019883497 171515126 /nfs/dbraw/zinc/51/51/26/171515126.db2.gz YCDVFQVVKZUIKW-AWEZNQCLSA-N 1 0 219.328 3.376 10 0 BGAERO CCC(CC)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000019883840 168391012 /nfs/dbraw/zinc/39/10/12/168391012.db2.gz RITPNBZWZDRIQY-JTQLQIEISA-N 1 0 207.317 3.231 10 0 BGAERO CCC(CC)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000019883841 168392584 /nfs/dbraw/zinc/39/25/84/168392584.db2.gz RITPNBZWZDRIQY-SNVBAGLBSA-N 1 0 207.317 3.231 10 0 BGAERO CCC(CC)[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000019883973 168391274 /nfs/dbraw/zinc/39/12/74/168391274.db2.gz GWMGUSCSBQHBGZ-JTQLQIEISA-N 1 0 237.343 3.240 10 0 BGAERO CCC(CC)[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000019883975 168392654 /nfs/dbraw/zinc/39/26/54/168392654.db2.gz GWMGUSCSBQHBGZ-SNVBAGLBSA-N 1 0 237.343 3.240 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1CC1 ZINC000019884690 384552601 /nfs/dbraw/zinc/55/26/01/384552601.db2.gz SXYQNOIHFFGENJ-XBFCOCLRSA-N 1 0 209.377 3.447 10 0 BGAERO c1ccc(C[NH2+][C@H]2CCc3ccccc32)cc1 ZINC000019899518 183406375 /nfs/dbraw/zinc/40/63/75/183406375.db2.gz PCOXFQPFGPYUBK-INIZCTEOSA-N 1 0 223.319 3.464 10 0 BGAERO CCCCC[NH2+][C@H](C)c1ccc(O)cc1 ZINC000019901323 168721498 /nfs/dbraw/zinc/72/14/98/168721498.db2.gz ILECCNHNYOVRNW-LLVKDONJSA-N 1 0 207.317 3.233 10 0 BGAERO CCCCC[NH2+][C@H]1CCOc2ccccc21 ZINC000019901531 168721587 /nfs/dbraw/zinc/72/15/87/168721587.db2.gz ILEICOPHZUBKIV-ZDUSSCGKSA-N 1 0 219.328 3.290 10 0 BGAERO CCC[C@@H](C)[NH2+]Cc1c(F)cccc1F ZINC000019902561 169370349 /nfs/dbraw/zinc/37/03/49/169370349.db2.gz OZUPGQRNVGQERT-SECBINFHSA-N 1 0 213.271 3.243 10 0 BGAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000019902702 169370926 /nfs/dbraw/zinc/37/09/26/169370926.db2.gz ARAUWHSHMGZVAY-MNOVXSKESA-N 1 0 207.317 3.231 10 0 BGAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(O)cc1 ZINC000019902706 169371575 /nfs/dbraw/zinc/37/15/75/169371575.db2.gz ARAUWHSHMGZVAY-GHMZBOCLSA-N 1 0 207.317 3.231 10 0 BGAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000019902913 169371022 /nfs/dbraw/zinc/37/10/22/169371022.db2.gz BRPGOBQJTFJKNP-NEPJUHHUSA-N 1 0 249.354 3.297 10 0 BGAERO CCC[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000019902914 398172415 /nfs/dbraw/zinc/17/24/15/398172415.db2.gz BRPGOBQJTFJKNP-RYUDHWBXSA-N 1 0 249.354 3.297 10 0 BGAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000019902915 169371918 /nfs/dbraw/zinc/37/19/18/169371918.db2.gz BRPGOBQJTFJKNP-VXGBXAGGSA-N 1 0 249.354 3.297 10 0 BGAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000019902916 169494350 /nfs/dbraw/zinc/49/43/50/169494350.db2.gz BRPGOBQJTFJKNP-NWDGAFQWSA-N 1 0 249.354 3.297 10 0 BGAERO CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000019902957 169370994 /nfs/dbraw/zinc/37/09/94/169370994.db2.gz XERCOHXCZYQPGE-MNOVXSKESA-N 1 0 237.343 3.240 10 0 BGAERO CCC[C@H](C)[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000019902958 169493879 /nfs/dbraw/zinc/49/38/79/169493879.db2.gz XERCOHXCZYQPGE-QWRGUYRKSA-N 1 0 237.343 3.240 10 0 BGAERO CCC[C@@H](C)[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000019902959 169371814 /nfs/dbraw/zinc/37/18/14/169371814.db2.gz XERCOHXCZYQPGE-GHMZBOCLSA-N 1 0 237.343 3.240 10 0 BGAERO CCC[C@H](C)[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000019902960 169494263 /nfs/dbraw/zinc/49/42/63/169494263.db2.gz XERCOHXCZYQPGE-WDEREUQCSA-N 1 0 237.343 3.240 10 0 BGAERO COC[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000019904405 174461109 /nfs/dbraw/zinc/46/11/09/174461109.db2.gz FQHJROFVRWISDP-AGIUHOORSA-N 1 0 227.392 3.216 10 0 BGAERO COC[C@@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000019904486 487863148 /nfs/dbraw/zinc/86/31/48/487863148.db2.gz RTPJLZAMMPEXBW-IUODEOHRSA-N 1 0 233.355 3.079 10 0 BGAERO COC[C@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000019904487 357119700 /nfs/dbraw/zinc/11/97/00/357119700.db2.gz RTPJLZAMMPEXBW-SWLSCSKDSA-N 1 0 233.355 3.079 10 0 BGAERO COC[C@@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000019904488 174460930 /nfs/dbraw/zinc/46/09/30/174460930.db2.gz RTPJLZAMMPEXBW-DOMZBBRYSA-N 1 0 233.355 3.079 10 0 BGAERO COC[C@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000019904489 357120099 /nfs/dbraw/zinc/12/00/99/357120099.db2.gz RTPJLZAMMPEXBW-WFASDCNBSA-N 1 0 233.355 3.079 10 0 BGAERO CCCc1ccc([C@@H](C)[NH2+][C@@H](C)COC)cc1 ZINC000019904962 371200223 /nfs/dbraw/zinc/20/02/23/371200223.db2.gz GVWSUBMHQFRALZ-QWHCGFSZSA-N 1 0 235.371 3.325 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@@H](C)COC)cc1 ZINC000019904964 371200282 /nfs/dbraw/zinc/20/02/82/371200282.db2.gz GVWSUBMHQFRALZ-STQMWFEESA-N 1 0 235.371 3.325 10 0 BGAERO COC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000019905096 347313562 /nfs/dbraw/zinc/31/35/62/347313562.db2.gz RRLFMWOPUGILAL-STQMWFEESA-N 1 0 235.371 3.496 10 0 BGAERO COC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000019905098 174551560 /nfs/dbraw/zinc/55/15/60/174551560.db2.gz RRLFMWOPUGILAL-QWHCGFSZSA-N 1 0 235.371 3.496 10 0 BGAERO CCC[NH2+]C[C@H](c1ccccc1)N(CC)CC ZINC000019905984 169264464 /nfs/dbraw/zinc/26/44/64/169264464.db2.gz GDNXUYOTRTZEJU-OAHLLOKOSA-N 1 0 234.387 3.069 10 0 BGAERO CCC[NH2+]C[C@@H](c1ccccc1)N(CC)CC ZINC000019905985 169262156 /nfs/dbraw/zinc/26/21/56/169262156.db2.gz GDNXUYOTRTZEJU-HNNXBMFYSA-N 1 0 234.387 3.069 10 0 BGAERO CCCC[NH2+][C@H](CC)c1ccc(O)cc1 ZINC000019907029 168876852 /nfs/dbraw/zinc/87/68/52/168876852.db2.gz SQZOLNQOPCNNMC-CYBMUJFWSA-N 1 0 207.317 3.233 10 0 BGAERO CC(C)c1ccccc1NC1CC[NH+](C)CC1 ZINC000019907184 342962936 /nfs/dbraw/zinc/96/29/36/342962936.db2.gz ZNIJQGXXIKGGBN-UHFFFAOYSA-N 1 0 232.371 3.316 10 0 BGAERO CC(C)CC[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000019911919 166863230 /nfs/dbraw/zinc/86/32/30/166863230.db2.gz LUJMIWXTZUTKPL-NSHDSACASA-N 1 0 207.317 3.089 10 0 BGAERO CC(C)CC[NH2+][C@H](C)c1ccc(O)cc1 ZINC000019911920 166866587 /nfs/dbraw/zinc/86/65/87/166866587.db2.gz LUJMIWXTZUTKPL-LLVKDONJSA-N 1 0 207.317 3.089 10 0 BGAERO CC[C@H]([NH2+]CCC(C)C)c1ccc(O)cc1 ZINC000019912018 171518314 /nfs/dbraw/zinc/51/83/14/171518314.db2.gz XFDMVEHCMRFDJF-AWEZNQCLSA-N 1 0 221.344 3.479 10 0 BGAERO COc1cc([C@@H](C)[NH2+]CCC(C)C)ccc1O ZINC000019912069 175014193 /nfs/dbraw/zinc/01/41/93/175014193.db2.gz DYBIUWYWPYBJGE-LLVKDONJSA-N 1 0 237.343 3.098 10 0 BGAERO COc1cc([C@H](C)[NH2+]CCC(C)C)ccc1O ZINC000019912071 175016150 /nfs/dbraw/zinc/01/61/50/175016150.db2.gz DYBIUWYWPYBJGE-NSHDSACASA-N 1 0 237.343 3.098 10 0 BGAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCc1ccccn1 ZINC000019916452 177114233 /nfs/dbraw/zinc/11/42/33/177114233.db2.gz GYJOOTHBCLKUGA-NNQSOWQGSA-N 1 0 232.371 3.038 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccccn2)CC(C)(C)C1 ZINC000019916904 176376557 /nfs/dbraw/zinc/37/65/57/176376557.db2.gz XQAKPCBJHYYLTN-UKRRQHHQSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCc2ccccn2)CC(C)(C)C1 ZINC000019916906 177332286 /nfs/dbraw/zinc/33/22/86/177332286.db2.gz XQAKPCBJHYYLTN-DZGCQCFKSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCc2ccccn2)CC(C)(C)C1 ZINC000019916908 590044441 /nfs/dbraw/zinc/04/44/41/590044441.db2.gz XQAKPCBJHYYLTN-HIFRSBDPSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCc2ccccn2)CC(C)(C)C1 ZINC000019916910 177370956 /nfs/dbraw/zinc/37/09/56/177370956.db2.gz XQAKPCBJHYYLTN-ZFWWWQNUSA-N 1 0 246.398 3.429 10 0 BGAERO COc1cc(C[NH2+]C2CCC(C)CC2)ccc1O ZINC000019917770 174983511 /nfs/dbraw/zinc/98/35/11/174983511.db2.gz NQFYIZCQFYSPKI-UHFFFAOYSA-N 1 0 249.354 3.069 10 0 BGAERO C[C@H]([NH2+]C1CCC(C)CC1)c1ccncc1 ZINC000019917867 168164894 /nfs/dbraw/zinc/16/48/94/168164894.db2.gz ZGZXXYFEGAHWHB-LXVYMNJGSA-N 1 0 218.344 3.311 10 0 BGAERO C[C@@H]([NH2+]C1CCC(C)CC1)c1ccncc1 ZINC000019917869 168165366 /nfs/dbraw/zinc/16/53/66/168165366.db2.gz ZGZXXYFEGAHWHB-MBHSVXNSSA-N 1 0 218.344 3.311 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC(C)(C)C1 ZINC000019919012 187222610 /nfs/dbraw/zinc/22/26/10/187222610.db2.gz UAQRSXRGLFNLNT-NELGMTEASA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC(C)(C)C1 ZINC000019919016 387063905 /nfs/dbraw/zinc/06/39/05/387063905.db2.gz UAQRSXRGLFNLNT-ZIHBUVQPSA-N 1 0 239.403 3.094 10 0 BGAERO Cc1nc([C@H]([NH3+])c2ccccc2C)sc1C ZINC000019930103 179325396 /nfs/dbraw/zinc/32/53/96/179325396.db2.gz GWLANALMSOFROP-GFCCVEGCSA-N 1 0 232.352 3.116 10 0 BGAERO Cc1nc([C@@H]([NH3+])c2ccccc2C)sc1C ZINC000019930105 179343034 /nfs/dbraw/zinc/34/30/34/179343034.db2.gz GWLANALMSOFROP-LBPRGKRZSA-N 1 0 232.352 3.116 10 0 BGAERO C[C@@H]([NH2+]Cc1ccc(F)cc1)c1ccc(O)cc1 ZINC000019943573 175898069 /nfs/dbraw/zinc/89/80/69/175898069.db2.gz PBIKNSVVLKOFAB-LLVKDONJSA-N 1 0 245.297 3.382 10 0 BGAERO c1csc(CC[NH2+]CCc2ccccc2)c1 ZINC000019948597 183393958 /nfs/dbraw/zinc/39/39/58/183393958.db2.gz FEBRSNLHDDWDIK-UHFFFAOYSA-N 1 0 231.364 3.123 10 0 BGAERO C[C@@H]([NH2+]CCc1cccs1)c1ccc(O)cc1 ZINC000019948759 175884487 /nfs/dbraw/zinc/88/44/87/175884487.db2.gz YHKCJWFIBWNVEB-LLVKDONJSA-N 1 0 247.363 3.347 10 0 BGAERO Cc1c(-c2ccc(C)cc2)nc2ccc(N)cn12 ZINC000019953272 178337436 /nfs/dbraw/zinc/33/74/36/178337436.db2.gz CEUDKMIFGMSRNM-UHFFFAOYSA-N 1 0 237.306 3.200 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccccn1 ZINC000019957645 179338967 /nfs/dbraw/zinc/33/89/67/179338967.db2.gz GUGVTVJLIXSRBU-ZDUSSCGKSA-N 1 0 226.323 3.241 10 0 BGAERO CCCC(CCC)[NH2+]Cc1ccccn1 ZINC000019957950 342964907 /nfs/dbraw/zinc/96/49/07/342964907.db2.gz XCSIIRQKMCAKDD-UHFFFAOYSA-N 1 0 206.333 3.140 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000019957985 171831294 /nfs/dbraw/zinc/83/12/94/171831294.db2.gz OQNMQQKQNKJJFZ-CYBMUJFWSA-N 1 0 240.350 3.495 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1 ZINC000019957989 397962802 /nfs/dbraw/zinc/96/28/02/397962802.db2.gz OQNMQQKQNKJJFZ-ZDUSSCGKSA-N 1 0 240.350 3.495 10 0 BGAERO CCOCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000019962846 170382613 /nfs/dbraw/zinc/38/26/13/170382613.db2.gz PRUIXBJKGZEMDR-RRFJBIMHSA-N 1 0 241.419 3.463 10 0 BGAERO CCOCCC[NH2+][C@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000019962848 170383260 /nfs/dbraw/zinc/38/32/60/170383260.db2.gz PRUIXBJKGZEMDR-ZNMIVQPWSA-N 1 0 241.419 3.463 10 0 BGAERO C[C@H]1[C@H]([NH2+]Cc2ccc(O)cc2)CCC[C@@H]1C ZINC000019963126 177123079 /nfs/dbraw/zinc/12/30/79/177123079.db2.gz JIPRQBOQSJKHLX-YWPYICTPSA-N 1 0 233.355 3.307 10 0 BGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1ccc(O)cc1 ZINC000019963128 177137470 /nfs/dbraw/zinc/13/74/70/177137470.db2.gz JIPRQBOQSJKHLX-ZOWXZIJZSA-N 1 0 233.355 3.307 10 0 BGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cccc(O)c1 ZINC000019963344 177137211 /nfs/dbraw/zinc/13/72/11/177137211.db2.gz YBJYXQFNDBKSKT-ZOWXZIJZSA-N 1 0 233.355 3.307 10 0 BGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000019963422 188351465 /nfs/dbraw/zinc/35/14/65/188351465.db2.gz FWHZAQFIPAQFBN-MELADBBJSA-N 1 0 239.403 3.360 10 0 BGAERO Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCCO2)c(C)c1 ZINC000019963730 177871118 /nfs/dbraw/zinc/87/11/18/177871118.db2.gz GVBXJWOKPBLXMJ-HUUCEWRRSA-N 1 0 247.382 3.441 10 0 BGAERO CCOc1ccc([C@H]([NH3+])CC(F)(F)F)cc1 ZINC000019967395 170563400 /nfs/dbraw/zinc/56/34/00/170563400.db2.gz XTEUQZNZJAUXGG-SNVBAGLBSA-N 1 0 233.233 3.038 10 0 BGAERO COc1ccc(OC)c([C@@H]([NH3+])CC2CCCC2)c1 ZINC000019967548 175168346 /nfs/dbraw/zinc/16/83/46/175168346.db2.gz UIYGDWNVQXAGNY-AWEZNQCLSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc(OC)c([C@H]([NH3+])CC2CCCC2)c1 ZINC000019967549 175168956 /nfs/dbraw/zinc/16/89/56/175168956.db2.gz UIYGDWNVQXAGNY-CQSZACIVSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc(OC)c([C@@H]([NH3+])C2CCCCC2)c1 ZINC000019967596 175167744 /nfs/dbraw/zinc/16/77/44/175167744.db2.gz AIPFEIUNQDLBQE-HNNXBMFYSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc(OC)c([C@H]([NH3+])C2CCCCC2)c1 ZINC000019967597 175169131 /nfs/dbraw/zinc/16/91/31/175169131.db2.gz AIPFEIUNQDLBQE-OAHLLOKOSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc(OC)c([C@@H]([NH3+])CC(C)(C)C)c1 ZINC000019967604 175167657 /nfs/dbraw/zinc/16/76/57/175167657.db2.gz JKTSYICTOVEZBH-LBPRGKRZSA-N 1 0 237.343 3.140 10 0 BGAERO COc1ccc(OC)c([C@H]([NH3+])CC(C)(C)C)c1 ZINC000019967605 175168947 /nfs/dbraw/zinc/16/89/47/175168947.db2.gz JKTSYICTOVEZBH-GFCCVEGCSA-N 1 0 237.343 3.140 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC2CCCC2)c(OC)c1 ZINC000019967684 175179037 /nfs/dbraw/zinc/17/90/37/175179037.db2.gz YGOOBFXDAHNVPY-AWEZNQCLSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc([C@H]([NH3+])CC2CCCC2)c(OC)c1 ZINC000019967685 175192287 /nfs/dbraw/zinc/19/22/87/175192287.db2.gz YGOOBFXDAHNVPY-CQSZACIVSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)c(OC)c1 ZINC000019967724 175179464 /nfs/dbraw/zinc/17/94/64/175179464.db2.gz OVZJKRBBYDAIFC-HNNXBMFYSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCCC2)c(OC)c1 ZINC000019967725 175190959 /nfs/dbraw/zinc/19/09/59/175190959.db2.gz OVZJKRBBYDAIFC-OAHLLOKOSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC(C)(C)C)c(OC)c1 ZINC000019967734 175179237 /nfs/dbraw/zinc/17/92/37/175179237.db2.gz MZILXCPLHUJNLA-LBPRGKRZSA-N 1 0 237.343 3.140 10 0 BGAERO COc1ccc([C@H]([NH3+])CC(C)(C)C)c(OC)c1 ZINC000019967735 175191244 /nfs/dbraw/zinc/19/12/44/175191244.db2.gz MZILXCPLHUJNLA-GFCCVEGCSA-N 1 0 237.343 3.140 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc(OCC)c(OCC)c1 ZINC000019967828 169394032 /nfs/dbraw/zinc/39/40/32/169394032.db2.gz WJMGNCSOPTZDHO-GFCCVEGCSA-N 1 0 237.343 3.284 10 0 BGAERO CCC(CC)[C@@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000019967954 168401433 /nfs/dbraw/zinc/40/14/33/168401433.db2.gz RUSHOQGGZWKCKE-OAHLLOKOSA-N 1 0 249.354 3.284 10 0 BGAERO CCC(CC)[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000019967955 168407353 /nfs/dbraw/zinc/40/73/53/168407353.db2.gz RUSHOQGGZWKCKE-HNNXBMFYSA-N 1 0 249.354 3.284 10 0 BGAERO CC(C)(C)C[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000019968025 166602439 /nfs/dbraw/zinc/60/24/39/166602439.db2.gz VIPQIBGFVBOLEF-LBPRGKRZSA-N 1 0 249.354 3.284 10 0 BGAERO CCCC[C@H]([NH3+])c1ccc2c(c1)OCCCO2 ZINC000019968049 169009448 /nfs/dbraw/zinc/00/94/48/169009448.db2.gz FDCBBZQYDPXEPK-LBPRGKRZSA-N 1 0 235.327 3.038 10 0 BGAERO [NH3+][C@H](Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000019968323 181626935 /nfs/dbraw/zinc/62/69/35/181626935.db2.gz RVJUVKJRPHEJIH-CQSZACIVSA-N 1 0 233.261 3.207 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968362 179325544 /nfs/dbraw/zinc/32/55/44/179325544.db2.gz HZVWADXXMJWXPW-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968363 179344114 /nfs/dbraw/zinc/34/41/14/179344114.db2.gz HZVWADXXMJWXPW-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000019968396 179186559 /nfs/dbraw/zinc/18/65/59/179186559.db2.gz LFETWWJEICJVOT-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000019968397 179199913 /nfs/dbraw/zinc/19/99/13/179199913.db2.gz LFETWWJEICJVOT-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968406 175346999 /nfs/dbraw/zinc/34/69/99/175346999.db2.gz WVPCLRJSXFKONV-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1ccc(F)c(F)c1 ZINC000019968407 175353422 /nfs/dbraw/zinc/35/34/22/175353422.db2.gz WVPCLRJSXFKONV-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000019968426 175289052 /nfs/dbraw/zinc/28/90/52/175289052.db2.gz ZGRWACHATHMFDI-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(F)c(F)c2)c1 ZINC000019968427 175295235 /nfs/dbraw/zinc/29/52/35/175295235.db2.gz ZGRWACHATHMFDI-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO CCc1ccc([C@@H]([NH3+])CC(F)(F)F)cc1 ZINC000019968523 171834085 /nfs/dbraw/zinc/83/40/85/171834085.db2.gz NATVROUTAFJCPD-JTQLQIEISA-N 1 0 217.234 3.201 10 0 BGAERO CCc1ccc([C@H]([NH3+])CC(F)(F)F)cc1 ZINC000019968524 171842796 /nfs/dbraw/zinc/84/27/96/171842796.db2.gz NATVROUTAFJCPD-SNVBAGLBSA-N 1 0 217.234 3.201 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1)c1ccc(F)cc1F ZINC000019968868 181556628 /nfs/dbraw/zinc/55/66/28/181556628.db2.gz YQXGTFFVETXYLO-AWEZNQCLSA-N 1 0 233.261 3.207 10 0 BGAERO [NH3+][C@H](Cc1ccccc1)c1ccc(F)cc1F ZINC000019968869 181627139 /nfs/dbraw/zinc/62/71/39/181627139.db2.gz YQXGTFFVETXYLO-CQSZACIVSA-N 1 0 233.261 3.207 10 0 BGAERO CCC(CC)[C@@H]([NH3+])c1ccc(F)cc1F ZINC000019968880 168401095 /nfs/dbraw/zinc/40/10/95/168401095.db2.gz CDMSDZQUAOSMSH-GFCCVEGCSA-N 1 0 213.271 3.401 10 0 BGAERO CCC(CC)[C@H]([NH3+])c1ccc(F)cc1F ZINC000019968881 168406947 /nfs/dbraw/zinc/40/69/47/168406947.db2.gz CDMSDZQUAOSMSH-LBPRGKRZSA-N 1 0 213.271 3.401 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])c1ccc(F)cc1F ZINC000019968906 179324842 /nfs/dbraw/zinc/32/48/42/179324842.db2.gz MFOATDMWJMEEBX-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])c1ccc(F)cc1F ZINC000019968907 179343030 /nfs/dbraw/zinc/34/30/30/179343030.db2.gz MFOATDMWJMEEBX-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000019968936 179187020 /nfs/dbraw/zinc/18/70/20/179187020.db2.gz BIAYLSMQKILODG-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000019968937 179199997 /nfs/dbraw/zinc/19/99/97/179199997.db2.gz BIAYLSMQKILODG-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1ccc(F)cc1F ZINC000019968946 175347552 /nfs/dbraw/zinc/34/75/52/175347552.db2.gz XXIGCKGBWWATAP-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1ccc(F)cc1F ZINC000019968947 175353408 /nfs/dbraw/zinc/35/34/08/175353408.db2.gz XXIGCKGBWWATAP-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000019968966 175288582 /nfs/dbraw/zinc/28/85/82/175288582.db2.gz MJFPKIFLQWHUAC-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(F)cc2F)c1 ZINC000019968967 175294915 /nfs/dbraw/zinc/29/49/15/175294915.db2.gz MJFPKIFLQWHUAC-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO CCC(CC)[C@H]([NH3+])c1cc(F)ccc1F ZINC000019969374 168406735 /nfs/dbraw/zinc/40/67/35/168406735.db2.gz BDNPKGDEFKBQRA-LBPRGKRZSA-N 1 0 213.271 3.401 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])c1cc(F)ccc1F ZINC000019969401 179324230 /nfs/dbraw/zinc/32/42/30/179324230.db2.gz VETXLZUIHFORQS-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])c1cc(F)ccc1F ZINC000019969402 179343012 /nfs/dbraw/zinc/34/30/12/179343012.db2.gz VETXLZUIHFORQS-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO [NH3+][C@@H](c1ccc(F)cc1)c1cc(F)ccc1F ZINC000019969427 181563197 /nfs/dbraw/zinc/56/31/97/181563197.db2.gz YLUNOKFJHXUJCC-ZDUSSCGKSA-N 1 0 237.224 3.152 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cc(F)ccc2F)cc1 ZINC000019969436 175192705 /nfs/dbraw/zinc/19/27/05/175192705.db2.gz RZFXNHUGAUEBJD-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2cc(F)ccc2F)c1 ZINC000019969443 179186465 /nfs/dbraw/zinc/18/64/65/179186465.db2.gz DQCNSXPOUZCWTP-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2cc(F)ccc2F)c1 ZINC000019969444 179200247 /nfs/dbraw/zinc/20/02/47/179200247.db2.gz DQCNSXPOUZCWTP-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1cc(F)ccc1F ZINC000019969453 175346880 /nfs/dbraw/zinc/34/68/80/175346880.db2.gz NGIKQALPPCODGU-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1cc(F)ccc1F ZINC000019969454 175352989 /nfs/dbraw/zinc/35/29/89/175352989.db2.gz NGIKQALPPCODGU-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO [NH3+][C@@H](c1cccc(F)c1)c1cc(F)ccc1F ZINC000019969459 181564590 /nfs/dbraw/zinc/56/45/90/181564590.db2.gz SAWBOHIXEPXRLM-ZDUSSCGKSA-N 1 0 237.224 3.152 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2cc(F)ccc2F)c1 ZINC000019969475 175288541 /nfs/dbraw/zinc/28/85/41/175288541.db2.gz FRJQZFVAKBQUTP-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@H]([NH3+])c2cc(F)ccc2F)c1 ZINC000019969476 175294625 /nfs/dbraw/zinc/29/46/25/175294625.db2.gz FRJQZFVAKBQUTP-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])c2ccc(C)s2)cc1 ZINC000019969725 175116050 /nfs/dbraw/zinc/11/60/50/175116050.db2.gz URFUMLZFRRMNDD-CYBMUJFWSA-N 1 0 247.363 3.308 10 0 BGAERO COc1ccc(C[C@H]([NH3+])c2ccc(C)s2)cc1 ZINC000019969726 175117098 /nfs/dbraw/zinc/11/70/98/175117098.db2.gz URFUMLZFRRMNDD-ZDUSSCGKSA-N 1 0 247.363 3.308 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2ccccc2C)s1 ZINC000019969769 178861881 /nfs/dbraw/zinc/86/18/81/178861881.db2.gz SBWNBYKMGXINKT-ZDUSSCGKSA-N 1 0 217.337 3.413 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)s2)cc1 ZINC000019969805 175180190 /nfs/dbraw/zinc/18/01/90/175180190.db2.gz YEJPLZAKQHPUSM-CYBMUJFWSA-N 1 0 233.336 3.113 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)s2)cc1 ZINC000019969806 175192555 /nfs/dbraw/zinc/19/25/55/175192555.db2.gz YEJPLZAKQHPUSM-ZDUSSCGKSA-N 1 0 233.336 3.113 10 0 BGAERO Cc1ccc([C@H]([NH3+])c2cccc(C)c2)s1 ZINC000019969815 179186213 /nfs/dbraw/zinc/18/62/13/179186213.db2.gz CWSJAFIBDJRGCA-CYBMUJFWSA-N 1 0 217.337 3.413 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2cccc(C)c2)s1 ZINC000019969816 179200232 /nfs/dbraw/zinc/20/02/32/179200232.db2.gz CWSJAFIBDJRGCA-ZDUSSCGKSA-N 1 0 217.337 3.413 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1ccc(C)s1 ZINC000019969825 175346966 /nfs/dbraw/zinc/34/69/66/175346966.db2.gz VAUGNKVKHBHWJQ-CYBMUJFWSA-N 1 0 233.336 3.113 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1ccc(C)s1 ZINC000019969826 175353222 /nfs/dbraw/zinc/35/32/22/175353222.db2.gz VAUGNKVKHBHWJQ-ZDUSSCGKSA-N 1 0 233.336 3.113 10 0 BGAERO Cc1ccc([C@@H]([NH3+])Cc2ccc(F)cc2)s1 ZINC000019969833 178858815 /nfs/dbraw/zinc/85/88/15/178858815.db2.gz XPVXUCMLUXMVCQ-LBPRGKRZSA-N 1 0 235.327 3.438 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2ccc(F)cc2)s1 ZINC000019969834 178908228 /nfs/dbraw/zinc/90/82/28/178908228.db2.gz XPVXUCMLUXMVCQ-GFCCVEGCSA-N 1 0 235.327 3.438 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2ccccc2)s1 ZINC000019969843 178860794 /nfs/dbraw/zinc/86/07/94/178860794.db2.gz SXECQERVYBHVLV-LBPRGKRZSA-N 1 0 203.310 3.105 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(C)s2)c1 ZINC000019969847 175289239 /nfs/dbraw/zinc/28/92/39/175289239.db2.gz ASSDSCCLJNONPI-CYBMUJFWSA-N 1 0 233.336 3.113 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(C)s2)c1 ZINC000019969848 175295257 /nfs/dbraw/zinc/29/52/57/175295257.db2.gz ASSDSCCLJNONPI-ZDUSSCGKSA-N 1 0 233.336 3.113 10 0 BGAERO COc1cccc(C[C@@H]([NH3+])c2ccc(C)s2)c1 ZINC000019969873 175271959 /nfs/dbraw/zinc/27/19/59/175271959.db2.gz AFKBUHGIXXXHOT-CYBMUJFWSA-N 1 0 247.363 3.308 10 0 BGAERO COc1cccc(C[C@H]([NH3+])c2ccc(C)s2)c1 ZINC000019969874 175272528 /nfs/dbraw/zinc/27/25/28/175272528.db2.gz AFKBUHGIXXXHOT-ZDUSSCGKSA-N 1 0 247.363 3.308 10 0 BGAERO Cc1ccc([C@@H]([NH3+])Cc2cccc(F)c2)s1 ZINC000019969889 178859031 /nfs/dbraw/zinc/85/90/31/178859031.db2.gz WYDZASTXYZHDJS-LBPRGKRZSA-N 1 0 235.327 3.438 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2cccc(F)c2)s1 ZINC000019969890 178908226 /nfs/dbraw/zinc/90/82/26/178908226.db2.gz WYDZASTXYZHDJS-GFCCVEGCSA-N 1 0 235.327 3.438 10 0 BGAERO COc1cc([C@@H]([NH3+])c2ccc(C)s2)ccc1C ZINC000019969905 175014745 /nfs/dbraw/zinc/01/47/45/175014745.db2.gz POMJFRUKRJRRHS-CQSZACIVSA-N 1 0 247.363 3.422 10 0 BGAERO COc1cc([C@H]([NH3+])c2ccc(C)s2)ccc1C ZINC000019969906 175016981 /nfs/dbraw/zinc/01/69/81/175016981.db2.gz POMJFRUKRJRRHS-AWEZNQCLSA-N 1 0 247.363 3.422 10 0 BGAERO CC(C)(C)c1ccc([C@@H]([NH3+])[C@H]2CCCO2)cc1 ZINC000019969989 187253284 /nfs/dbraw/zinc/25/32/84/187253284.db2.gz HRKASCQXCFQMOS-ZIAGYGMSSA-N 1 0 233.355 3.163 10 0 BGAERO CCCc1ccc([C@@H]([NH3+])[C@@H]2C[C@@H]2C)cc1 ZINC000019970011 169573217 /nfs/dbraw/zinc/57/32/17/169573217.db2.gz FHUGAJUNUSLLNT-ZLKJLUDKSA-N 1 0 203.329 3.295 10 0 BGAERO CCCc1ccc([C@H]([NH3+])[C@H]2C[C@@H]2C)cc1 ZINC000019970014 169575185 /nfs/dbraw/zinc/57/51/85/169575185.db2.gz FHUGAJUNUSLLNT-BPNCWPANSA-N 1 0 203.329 3.295 10 0 BGAERO CCCc1ccc([C@@H]([NH3+])C2CCC2)cc1 ZINC000019970019 169573605 /nfs/dbraw/zinc/57/36/05/169573605.db2.gz MYSHWRYWRJQLGX-AWEZNQCLSA-N 1 0 203.329 3.439 10 0 BGAERO CC(C)Cc1ccc([C@H]([NH3+])[C@@H]2CCCO2)cc1 ZINC000019970370 188282126 /nfs/dbraw/zinc/28/21/26/188282126.db2.gz UDQIBQNDKYMXDG-GJZGRUSLSA-N 1 0 233.355 3.064 10 0 BGAERO CC(C)Cc1ccc([C@@H]([NH3+])[C@H]2CCCO2)cc1 ZINC000019970371 188282155 /nfs/dbraw/zinc/28/21/55/188282155.db2.gz UDQIBQNDKYMXDG-HUUCEWRRSA-N 1 0 233.355 3.064 10 0 BGAERO CCCCc1ccc([C@@H]([NH3+])[C@@H]2CCCO2)cc1 ZINC000019970511 169021543 /nfs/dbraw/zinc/02/15/43/169021543.db2.gz WSYRZACDTXFKIM-LSDHHAIUSA-N 1 0 233.355 3.208 10 0 BGAERO CCCCc1ccc([C@H]([NH3+])[C@@H]2CCCO2)cc1 ZINC000019970512 169022726 /nfs/dbraw/zinc/02/27/26/169022726.db2.gz WSYRZACDTXFKIM-GJZGRUSLSA-N 1 0 233.355 3.208 10 0 BGAERO CCCCc1ccc([C@@H]([NH3+])[C@H]2CCCO2)cc1 ZINC000019970513 169021647 /nfs/dbraw/zinc/02/16/47/169021647.db2.gz WSYRZACDTXFKIM-HUUCEWRRSA-N 1 0 233.355 3.208 10 0 BGAERO CCCCc1ccc([C@H]([NH3+])[C@H]2CCCO2)cc1 ZINC000019970514 169023411 /nfs/dbraw/zinc/02/34/11/169023411.db2.gz WSYRZACDTXFKIM-CABCVRRESA-N 1 0 233.355 3.208 10 0 BGAERO [NH3+][C@H](c1ccc2c(c1)CCCC2)C1CCC1 ZINC000019970533 181632139 /nfs/dbraw/zinc/63/21/39/181632139.db2.gz STLYMRBLOHXFCQ-HNNXBMFYSA-N 1 0 215.340 3.365 10 0 BGAERO CCC[C@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000019970580 169505272 /nfs/dbraw/zinc/50/52/72/169505272.db2.gz GMLPPJQOEAVULL-AWEZNQCLSA-N 1 0 203.329 3.365 10 0 BGAERO CCC(CC)[C@@H]([NH3+])c1ccc(CCOC)cc1 ZINC000019970787 168401189 /nfs/dbraw/zinc/40/11/89/168401189.db2.gz KZJHPWVYSGGYKX-OAHLLOKOSA-N 1 0 235.371 3.312 10 0 BGAERO COCCc1ccc([C@H]([NH3+])CC2CCCC2)cc1 ZINC000019970814 174422475 /nfs/dbraw/zinc/42/24/75/174422475.db2.gz KHKARCPVNDGHOX-MRXNPFEDSA-N 1 0 247.382 3.456 10 0 BGAERO COCCc1ccc([C@H]([NH3+])C2CCCCC2)cc1 ZINC000019970868 174421926 /nfs/dbraw/zinc/42/19/26/174421926.db2.gz UTJDPHMEUOBSCU-MRXNPFEDSA-N 1 0 247.382 3.456 10 0 BGAERO CCCC[C@H]([NH3+])c1ccc(CCOC)cc1 ZINC000019970928 169008801 /nfs/dbraw/zinc/00/88/01/169008801.db2.gz SIXIOUCIGNYAAN-AWEZNQCLSA-N 1 0 221.344 3.066 10 0 BGAERO [NH3+][C@H](c1ccc2c(c1)CCO2)C1CCCCC1 ZINC000019971065 181632508 /nfs/dbraw/zinc/63/25/08/181632508.db2.gz LQAQOULCBRBLKL-HNNXBMFYSA-N 1 0 231.339 3.202 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1ccc(C)cc1C ZINC000019971382 175347029 /nfs/dbraw/zinc/34/70/29/175347029.db2.gz ZALMSZWWNDVBBC-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1ccc(C)cc1C ZINC000019971383 175353504 /nfs/dbraw/zinc/35/35/04/175353504.db2.gz ZALMSZWWNDVBBC-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(C)cc2C)c1 ZINC000019971398 175288916 /nfs/dbraw/zinc/28/89/16/175288916.db2.gz MXCUAWUDWRCKMZ-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(C)cc2C)c1 ZINC000019971399 175295326 /nfs/dbraw/zinc/29/53/26/175295326.db2.gz MXCUAWUDWRCKMZ-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO Cc1ccc(C)c([C@@H]([NH3+])C2CCCC2)c1 ZINC000019971492 178497201 /nfs/dbraw/zinc/49/72/01/178497201.db2.gz YVJNYUVJKNHRTC-AWEZNQCLSA-N 1 0 203.329 3.493 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1cc(C)ccc1C ZINC000019971538 175347116 /nfs/dbraw/zinc/34/71/16/175347116.db2.gz ZOWOTNYSLBTRSS-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1cc(C)ccc1C ZINC000019971539 175353253 /nfs/dbraw/zinc/35/32/53/175353253.db2.gz ZOWOTNYSLBTRSS-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO Cc1ccc(C)c([C@H]([NH3+])c2ccccc2F)c1 ZINC000019971551 178502583 /nfs/dbraw/zinc/50/25/83/178502583.db2.gz FSCFCVRZNRBOTF-OAHLLOKOSA-N 1 0 229.298 3.491 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2cc(C)ccc2C)c1 ZINC000019971554 175289090 /nfs/dbraw/zinc/28/90/90/175289090.db2.gz VEVVNBBBHOXXAX-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cccc([C@H]([NH3+])c2cc(C)ccc2C)c1 ZINC000019971555 175295017 /nfs/dbraw/zinc/29/50/17/175295017.db2.gz VEVVNBBBHOXXAX-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000019971773 170778870 /nfs/dbraw/zinc/77/88/70/170778870.db2.gz WPGCUPJTRNQSNV-KSBSHMNSSA-N 1 0 217.234 3.150 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1c(F)cc(F)cc1F ZINC000019971774 171372621 /nfs/dbraw/zinc/37/26/21/171372621.db2.gz WPGCUPJTRNQSNV-UPONEAKYSA-N 1 0 217.234 3.150 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000019971776 171397074 /nfs/dbraw/zinc/39/70/74/171397074.db2.gz WPGCUPJTRNQSNV-KGFZYKRKSA-N 1 0 217.234 3.150 10 0 BGAERO CCCC[C@H]([NH3+])c1c(F)cc(F)cc1F ZINC000019971824 169008861 /nfs/dbraw/zinc/00/88/61/169008861.db2.gz XMXWJTBGJRLNNK-JTQLQIEISA-N 1 0 217.234 3.294 10 0 BGAERO COc1ccc([C@H]([NH3+])Cc2ccccc2)c(C)c1 ZINC000019972006 175192167 /nfs/dbraw/zinc/19/21/67/175192167.db2.gz BNMAPTQIMLWLMB-MRXNPFEDSA-N 1 0 241.334 3.246 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)cc2)c(C)c1 ZINC000019972027 188282074 /nfs/dbraw/zinc/28/20/74/188282074.db2.gz GVVISRFWDDIYAJ-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)cc2)c(C)c1 ZINC000019972028 175192669 /nfs/dbraw/zinc/19/26/69/175192669.db2.gz GVVISRFWDDIYAJ-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCC2)c(C)c1 ZINC000019972043 175179076 /nfs/dbraw/zinc/17/90/76/175179076.db2.gz CGBFNZGNTDSNFR-AWEZNQCLSA-N 1 0 219.328 3.194 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCC2)c(C)c1 ZINC000019972044 175190708 /nfs/dbraw/zinc/19/07/08/175190708.db2.gz CGBFNZGNTDSNFR-CQSZACIVSA-N 1 0 219.328 3.194 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2C)c(C)c1 ZINC000019972045 175180307 /nfs/dbraw/zinc/18/03/07/175180307.db2.gz LKRAQOGUZYJWOI-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2C)c(C)c1 ZINC000019972046 175192563 /nfs/dbraw/zinc/19/25/63/175192563.db2.gz LKRAQOGUZYJWOI-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@@H]([NH3+])C(C)(C)C)c(C)c1 ZINC000019972051 175179490 /nfs/dbraw/zinc/17/94/90/175179490.db2.gz TVZQLCJCKRMRKG-GFCCVEGCSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc([C@H]([NH3+])C(C)(C)C)c(C)c1 ZINC000019972052 175190717 /nfs/dbraw/zinc/19/07/17/175190717.db2.gz TVZQLCJCKRMRKG-LBPRGKRZSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2)c(C)c1 ZINC000019972069 175180301 /nfs/dbraw/zinc/18/03/01/175180301.db2.gz ALVOSCVMKKEYCZ-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2)c(C)c1 ZINC000019972070 175192844 /nfs/dbraw/zinc/19/28/44/175192844.db2.gz ALVOSCVMKKEYCZ-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccc(C)c2)c(C)c1 ZINC000019972085 175180261 /nfs/dbraw/zinc/18/02/61/175180261.db2.gz PIVFKLDLYYKWLC-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccc(C)c2)c(C)c1 ZINC000019972086 175192860 /nfs/dbraw/zinc/19/28/60/175192860.db2.gz PIVFKLDLYYKWLC-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccc(F)c2)c(C)c1 ZINC000019972099 175180202 /nfs/dbraw/zinc/18/02/02/175180202.db2.gz IQYXMALNLXKJPT-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccc(F)c2)c(C)c1 ZINC000019972100 175192848 /nfs/dbraw/zinc/19/28/48/175192848.db2.gz IQYXMALNLXKJPT-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC(C)C)c(C)c1 ZINC000019972105 175178861 /nfs/dbraw/zinc/17/88/61/175178861.db2.gz DITZXLLBRSHTHD-ZDUSSCGKSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc([C@H]([NH3+])CC(C)C)c(C)c1 ZINC000019972106 175191972 /nfs/dbraw/zinc/19/19/72/175191972.db2.gz DITZXLLBRSHTHD-CYBMUJFWSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2F)c(C)c1 ZINC000019972107 175180182 /nfs/dbraw/zinc/18/01/82/175180182.db2.gz UKBOTBFGGAVXEE-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2F)c(C)c1 ZINC000019972108 175192806 /nfs/dbraw/zinc/19/28/06/175192806.db2.gz UKBOTBFGGAVXEE-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2)c(C)c1 ZINC000019972111 175180176 /nfs/dbraw/zinc/18/01/76/175180176.db2.gz GAMXZURGUMADCC-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000019972112 175192622 /nfs/dbraw/zinc/19/26/22/175192622.db2.gz GAMXZURGUMADCC-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC(C)(C)C)c(C)c1 ZINC000019972123 175179679 /nfs/dbraw/zinc/17/96/79/175179679.db2.gz ZFJBQWKLAGAOTH-ZDUSSCGKSA-N 1 0 221.344 3.440 10 0 BGAERO COc1ccc([C@H]([NH3+])CC(C)(C)C)c(C)c1 ZINC000019972124 175190669 /nfs/dbraw/zinc/19/06/69/175190669.db2.gz ZFJBQWKLAGAOTH-CYBMUJFWSA-N 1 0 221.344 3.440 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(OC)cc1C ZINC000019972130 171372818 /nfs/dbraw/zinc/37/28/18/171372818.db2.gz OMSNEXTYIPBERY-TVQRCGJNSA-N 1 0 207.317 3.050 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1ccc(OC)cc1C ZINC000019972132 171396579 /nfs/dbraw/zinc/39/65/79/171396579.db2.gz OMSNEXTYIPBERY-ZANVPECISA-N 1 0 207.317 3.050 10 0 BGAERO CCCC[C@@H]([NH3+])c1ccc(OC)cc1C ZINC000019972181 168970738 /nfs/dbraw/zinc/97/07/38/168970738.db2.gz LNIWHCQCLWDCJL-CYBMUJFWSA-N 1 0 207.317 3.194 10 0 BGAERO CCCC[C@H]([NH3+])c1ccc(OC)cc1C ZINC000019972182 169009089 /nfs/dbraw/zinc/00/90/89/169009089.db2.gz LNIWHCQCLWDCJL-ZDUSSCGKSA-N 1 0 207.317 3.194 10 0 BGAERO CCc1ccc(O[C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000019980908 188282228 /nfs/dbraw/zinc/28/22/28/188282228.db2.gz WLVMWWOCESPELP-GJZGRUSLSA-N 1 0 233.355 3.288 10 0 BGAERO CCc1ccc(O[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000019980916 188462364 /nfs/dbraw/zinc/46/23/64/188462364.db2.gz WLVMWWOCESPELP-CABCVRRESA-N 1 0 233.355 3.288 10 0 BGAERO CCC[NH+](CCC)C[C@@H](N)c1ccc(CC)cc1 ZINC000019993367 169147188 /nfs/dbraw/zinc/14/71/88/169147188.db2.gz JUERUZXYUGKVBV-MRXNPFEDSA-N 1 0 248.414 3.371 10 0 BGAERO CCC[NH+](CCC)C[C@H](N)c1ccc(CC)cc1 ZINC000019993370 169149696 /nfs/dbraw/zinc/14/96/96/169149696.db2.gz JUERUZXYUGKVBV-INIZCTEOSA-N 1 0 248.414 3.371 10 0 BGAERO CCCC[N@H+](CC)C[C@@H](N)c1ccc(C)c(C)c1 ZINC000019998986 168798487 /nfs/dbraw/zinc/79/84/87/168798487.db2.gz JYZCCVAZMGBQDT-MRXNPFEDSA-N 1 0 248.414 3.425 10 0 BGAERO CC[NH+](CC)C[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000020004974 169785870 /nfs/dbraw/zinc/78/58/70/169785870.db2.gz UWCXAGNMMBNCAM-MRXNPFEDSA-N 1 0 248.414 3.227 10 0 BGAERO CCC[NH+](CCC)C[C@@H](N)c1ccc(C)c(C)c1 ZINC000020013054 169146844 /nfs/dbraw/zinc/14/68/44/169146844.db2.gz YITZRRBIVVLYMV-MRXNPFEDSA-N 1 0 248.414 3.425 10 0 BGAERO CCC[NH+](CCC)C[C@H](N)c1ccc(C)c(C)c1 ZINC000020013057 169149386 /nfs/dbraw/zinc/14/93/86/169149386.db2.gz YITZRRBIVVLYMV-INIZCTEOSA-N 1 0 248.414 3.425 10 0 BGAERO Cc1ccc(O[C@H]2CCCCC[C@H]2[NH3+])cc1C ZINC000020020922 178818777 /nfs/dbraw/zinc/81/87/77/178818777.db2.gz VCZNBRXFEFLFHT-CABCVRRESA-N 1 0 233.355 3.342 10 0 BGAERO CCC[C@@H]([NH3+])[C@@H](CC)Oc1ccc2c(c1)CCC2 ZINC000020020979 169393348 /nfs/dbraw/zinc/39/33/48/169393348.db2.gz PEGZQBPVEBTXBU-HZPDHXFCSA-N 1 0 247.382 3.460 10 0 BGAERO CCC[C@@H]([NH3+])[C@H](CC)Oc1ccc2c(c1)CCC2 ZINC000020020985 169392839 /nfs/dbraw/zinc/39/28/39/169392839.db2.gz PEGZQBPVEBTXBU-CVEARBPZSA-N 1 0 247.382 3.460 10 0 BGAERO CCC(C)(C)[NH2+]CCCc1ccccc1 ZINC000020035987 168298194 /nfs/dbraw/zinc/29/81/94/168298194.db2.gz FKKQYXIEKCRSES-UHFFFAOYSA-N 1 0 205.345 3.397 10 0 BGAERO CC[NH+](CC)CCNc1cccc2c1CCCC2 ZINC000020043447 343139948 /nfs/dbraw/zinc/13/99/48/343139948.db2.gz FIZQBVLGJNABPZ-UHFFFAOYSA-N 1 0 246.398 3.319 10 0 BGAERO CC(C)CC[NH2+]CCCc1ccccc1 ZINC000020047116 166856702 /nfs/dbraw/zinc/85/67/02/166856702.db2.gz UWVPUWHSPAHHHW-UHFFFAOYSA-N 1 0 205.345 3.255 10 0 BGAERO CCc1ccc(NCC[NH+](CC)CC)cc1 ZINC000020053680 384994518 /nfs/dbraw/zinc/99/45/18/384994518.db2.gz KPJZZLAXDLHNCP-UHFFFAOYSA-N 1 0 220.360 3.003 10 0 BGAERO CC[NH+](CC)CCNc1cc(C)ccc1C ZINC000020056025 169781517 /nfs/dbraw/zinc/78/15/17/169781517.db2.gz DGKZBYJKDZIGHW-UHFFFAOYSA-N 1 0 220.360 3.057 10 0 BGAERO CC(C)(C)[NH2+]Cc1ccc(Cl)s1 ZINC000020056779 166635475 /nfs/dbraw/zinc/63/54/75/166635475.db2.gz QMYQYNNNDBKQSZ-UHFFFAOYSA-N 1 0 203.738 3.290 10 0 BGAERO CC1CC[NH+](Cc2ccc(Cl)c(N)c2)CC1 ZINC000020071377 168184555 /nfs/dbraw/zinc/18/45/55/168184555.db2.gz IWQBIGQZHHOPGU-UHFFFAOYSA-N 1 0 238.762 3.154 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(N)c1 ZINC000020071601 176074345 /nfs/dbraw/zinc/07/43/45/176074345.db2.gz SKVHDKNGKSIDDN-SNVBAGLBSA-N 1 0 238.762 3.297 10 0 BGAERO C[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)c(N)c1 ZINC000020071604 177076903 /nfs/dbraw/zinc/07/69/03/177076903.db2.gz SKVHDKNGKSIDDN-JTQLQIEISA-N 1 0 238.762 3.297 10 0 BGAERO CN(C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000020071697 172817925 /nfs/dbraw/zinc/81/79/25/172817925.db2.gz BJWXSJIMYBPRFH-DZKIICNBSA-N 1 0 244.382 3.044 10 0 BGAERO CN(C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000020071699 172834799 /nfs/dbraw/zinc/83/47/99/172834799.db2.gz BJWXSJIMYBPRFH-LZWOXQAQSA-N 1 0 244.382 3.044 10 0 BGAERO C[C@@H]1CCC[N@H+](Cc2ccc(Cl)c(N)c2)C1 ZINC000020071944 176101465 /nfs/dbraw/zinc/10/14/65/176101465.db2.gz RSSVHLGXKXNBNY-SNVBAGLBSA-N 1 0 238.762 3.154 10 0 BGAERO C[C@H]1CCC[N@H+](Cc2ccc(Cl)c(N)c2)C1 ZINC000020071946 177101882 /nfs/dbraw/zinc/10/18/82/177101882.db2.gz RSSVHLGXKXNBNY-JTQLQIEISA-N 1 0 238.762 3.154 10 0 BGAERO CCC[NH+](CCC)Cc1ccc(C)c(N)c1 ZINC000020072229 169148566 /nfs/dbraw/zinc/14/85/66/169148566.db2.gz PONLNPYPEUOJAB-UHFFFAOYSA-N 1 0 220.360 3.199 10 0 BGAERO CCC[NH+](CCC)CC[C@@H](N)c1ccccc1 ZINC000020072238 169146705 /nfs/dbraw/zinc/14/67/05/169146705.db2.gz QDGXLJOZIYJVCG-OAHLLOKOSA-N 1 0 234.387 3.199 10 0 BGAERO CCC[NH+](CCC)CC[C@H](N)c1ccccc1 ZINC000020072240 169147067 /nfs/dbraw/zinc/14/70/67/169147067.db2.gz QDGXLJOZIYJVCG-HNNXBMFYSA-N 1 0 234.387 3.199 10 0 BGAERO CCCN(CCC)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020072243 169149464 /nfs/dbraw/zinc/14/94/64/169149464.db2.gz RAIORTNZKOCWQW-KKUMJFAQSA-N 1 0 238.419 3.029 10 0 BGAERO CCCN(CCC)C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000020072245 169148695 /nfs/dbraw/zinc/14/86/95/169148695.db2.gz RAIORTNZKOCWQW-ZNMIVQPWSA-N 1 0 238.419 3.029 10 0 BGAERO CCCN(CCC)C[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000020072247 169148440 /nfs/dbraw/zinc/14/84/40/169148440.db2.gz RAIORTNZKOCWQW-ILXRZTDVSA-N 1 0 238.419 3.029 10 0 BGAERO CCCN(CCC)C[C@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000020072250 169148590 /nfs/dbraw/zinc/14/85/90/169148590.db2.gz RAIORTNZKOCWQW-KFWWJZLASA-N 1 0 238.419 3.029 10 0 BGAERO CCC[NH+](CCC)Cc1ccc(N)c(C)c1 ZINC000020072253 169148983 /nfs/dbraw/zinc/14/89/83/169148983.db2.gz RHBURYSOORNQNB-UHFFFAOYSA-N 1 0 220.360 3.199 10 0 BGAERO C[C@@H]1CCc2ccccc2N1CCCCCC[NH3+] ZINC000020072328 132329382 /nfs/dbraw/zinc/32/93/82/132329382.db2.gz RUKDRZSCCRERMD-CQSZACIVSA-N 1 0 246.398 3.347 10 0 BGAERO C[C@H]1CCc2ccccc2N1CCCCCC[NH3+] ZINC000020072331 132329354 /nfs/dbraw/zinc/32/93/54/132329354.db2.gz RUKDRZSCCRERMD-AWEZNQCLSA-N 1 0 246.398 3.347 10 0 BGAERO CC(C)C[C@@H]([NH3+])CN(Cc1ccccc1)C(C)C ZINC000020072414 188351983 /nfs/dbraw/zinc/35/19/83/188351983.db2.gz FFTGQVYLEXJGCU-MRXNPFEDSA-N 1 0 248.414 3.270 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])CN(Cc1ccccc1)C(C)C ZINC000020072425 171372992 /nfs/dbraw/zinc/37/29/92/171372992.db2.gz XBHVHRAAZDSCLT-HOCLYGCPSA-N 1 0 248.414 3.270 10 0 BGAERO CNCC[NH+](C1CCCCC1)C1CCCCC1 ZINC000020072506 173354291 /nfs/dbraw/zinc/35/42/91/173354291.db2.gz OHZZKPLVLYZSGO-UHFFFAOYSA-N 1 0 238.419 3.173 10 0 BGAERO Cc1ccc(C[N@H+](C)Cc2ccccc2)cc1N ZINC000020072521 342968109 /nfs/dbraw/zinc/96/81/09/342968109.db2.gz MZIMYLUPIUCHEB-UHFFFAOYSA-N 1 0 240.350 3.209 10 0 BGAERO CCN(C[C@H]([NH3+])CC(C)C)c1ccccc1C ZINC000020072653 169895428 /nfs/dbraw/zinc/89/54/28/169895428.db2.gz INXDTZINMJPSPV-CQSZACIVSA-N 1 0 234.387 3.195 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])CN(CC)c1ccccc1C ZINC000020072670 171372930 /nfs/dbraw/zinc/37/29/30/171372930.db2.gz CXDPDFGVEUZNMQ-JSGCOSHPSA-N 1 0 234.387 3.195 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])CN(CC)c1ccccc1C ZINC000020072672 170795600 /nfs/dbraw/zinc/79/56/00/170795600.db2.gz CXDPDFGVEUZNMQ-TZMCWYRMSA-N 1 0 234.387 3.195 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])CN(CC)c1ccccc1C ZINC000020072675 171396240 /nfs/dbraw/zinc/39/62/40/171396240.db2.gz CXDPDFGVEUZNMQ-GXTWGEPZSA-N 1 0 234.387 3.195 10 0 BGAERO C[C@@H]1Cc2ccccc2N1CCCCCCC[NH3+] ZINC000020072875 176451287 /nfs/dbraw/zinc/45/12/87/176451287.db2.gz IUUHHIWMUMGGMH-CQSZACIVSA-N 1 0 246.398 3.347 10 0 BGAERO C[C@H]1Cc2ccccc2N1CCCCCCC[NH3+] ZINC000020072878 177390675 /nfs/dbraw/zinc/39/06/75/177390675.db2.gz IUUHHIWMUMGGMH-AWEZNQCLSA-N 1 0 246.398 3.347 10 0 BGAERO C[C@@H]1Cc2ccccc2N1CC1([NH3+])CCCCC1 ZINC000020072881 176451369 /nfs/dbraw/zinc/45/13/69/176451369.db2.gz CWVVBIMCBDYEQJ-CYBMUJFWSA-N 1 0 244.382 3.099 10 0 BGAERO C[C@H]1Cc2ccccc2N1CC1([NH3+])CCCCC1 ZINC000020072883 177390726 /nfs/dbraw/zinc/39/07/26/177390726.db2.gz CWVVBIMCBDYEQJ-ZDUSSCGKSA-N 1 0 244.382 3.099 10 0 BGAERO CCCC[N@H+](CC)Cc1ccc(C)c(N)c1 ZINC000020072983 168800185 /nfs/dbraw/zinc/80/01/85/168800185.db2.gz OQUKIGFVRNRYBZ-UHFFFAOYSA-N 1 0 220.360 3.199 10 0 BGAERO CC[C@H](C)[C@@H](N)C[N@H+](CC)C1CCCCC1 ZINC000020073365 171372179 /nfs/dbraw/zinc/37/21/79/171372179.db2.gz ZPASKNZCYBHIGD-JSGCOSHPSA-N 1 0 226.408 3.014 10 0 BGAERO CC[C@H](C)[C@H](N)C[N@H+](CC)C1CCCCC1 ZINC000020073371 171397059 /nfs/dbraw/zinc/39/70/59/171397059.db2.gz ZPASKNZCYBHIGD-GXTWGEPZSA-N 1 0 226.408 3.014 10 0 BGAERO Cc1cc(C[NH+]2C[C@H](C)C[C@@H](C)C2)ccc1N ZINC000020073542 178007904 /nfs/dbraw/zinc/00/79/04/178007904.db2.gz BPMULXDHZXSSLY-VXGBXAGGSA-N 1 0 232.371 3.055 10 0 BGAERO Cc1cc(C[N@H+]2C[C@H](C)C[C@H](C)C2)ccc1N ZINC000020073544 178006368 /nfs/dbraw/zinc/00/63/68/178006368.db2.gz BPMULXDHZXSSLY-TXEJJXNPSA-N 1 0 232.371 3.055 10 0 BGAERO Cc1cc(C[NH+]2C[C@@H](C)C[C@H](C)C2)ccc1N ZINC000020073547 178005964 /nfs/dbraw/zinc/00/59/64/178005964.db2.gz BPMULXDHZXSSLY-RYUDHWBXSA-N 1 0 232.371 3.055 10 0 BGAERO [NH3+]CCCCCCCN1CCCc2ccccc21 ZINC000020073759 132329399 /nfs/dbraw/zinc/32/93/99/132329399.db2.gz OJQQSUFFFYKYCX-UHFFFAOYSA-N 1 0 246.398 3.348 10 0 BGAERO [NH3+]C1(CN2CCCc3ccccc32)CCCCC1 ZINC000020073761 132329396 /nfs/dbraw/zinc/32/93/96/132329396.db2.gz RGJAABDFWHMTNG-UHFFFAOYSA-N 1 0 244.382 3.101 10 0 BGAERO Cc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cc1N ZINC000020073919 178590732 /nfs/dbraw/zinc/59/07/32/178590732.db2.gz LJUVSYVCSNMFBG-BETUJISGSA-N 1 0 232.371 3.340 10 0 BGAERO Cc1cc(C[NH+]2[C@H](C)CCC[C@H]2C)ccc1N ZINC000020073960 178009670 /nfs/dbraw/zinc/00/96/70/178009670.db2.gz NMMDMBFYRCBAIM-CHWSQXEVSA-N 1 0 232.371 3.340 10 0 BGAERO Cc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)ccc1N ZINC000020073962 178009325 /nfs/dbraw/zinc/00/93/25/178009325.db2.gz NMMDMBFYRCBAIM-BETUJISGSA-N 1 0 232.371 3.340 10 0 BGAERO Cc1cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)ccc1N ZINC000020073965 178010190 /nfs/dbraw/zinc/01/01/90/178010190.db2.gz NMMDMBFYRCBAIM-STQMWFEESA-N 1 0 232.371 3.340 10 0 BGAERO Cc1ccc2c(c1)CCCN2CCCCCC[NH3+] ZINC000020074101 132329311 /nfs/dbraw/zinc/32/93/11/132329311.db2.gz BTPQVGBFLDBEFQ-UHFFFAOYSA-N 1 0 246.398 3.267 10 0 BGAERO Cc1ccc2c(c1)CCCN2C[C@H]([NH3+])CC(C)C ZINC000020074104 132329426 /nfs/dbraw/zinc/32/94/26/132329426.db2.gz XNIXUMQFUAPPGN-OAHLLOKOSA-N 1 0 246.398 3.121 10 0 BGAERO Cc1ccc2c(c1)CCCN2C[C@@H]([NH3+])CC(C)C ZINC000020074106 132329356 /nfs/dbraw/zinc/32/93/56/132329356.db2.gz XNIXUMQFUAPPGN-HNNXBMFYSA-N 1 0 246.398 3.121 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])CN1CCCc2cc(C)ccc21 ZINC000020074121 132329351 /nfs/dbraw/zinc/32/93/51/132329351.db2.gz MBJJVUGQNYTYPS-HIFRSBDPSA-N 1 0 246.398 3.121 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])CN1CCCc2cc(C)ccc21 ZINC000020074123 132329423 /nfs/dbraw/zinc/32/94/23/132329423.db2.gz MBJJVUGQNYTYPS-ZFWWWQNUSA-N 1 0 246.398 3.121 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])CN1CCCc2cc(C)ccc21 ZINC000020074125 132329260 /nfs/dbraw/zinc/32/92/60/132329260.db2.gz MBJJVUGQNYTYPS-UKRRQHHQSA-N 1 0 246.398 3.121 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])CN1CCCc2cc(C)ccc21 ZINC000020074127 535955495 /nfs/dbraw/zinc/95/54/95/535955495.db2.gz MBJJVUGQNYTYPS-DZGCQCFKSA-N 1 0 246.398 3.121 10 0 BGAERO C[C@H]1Cc2ccccc2N1c1ccccc1C[NH3+] ZINC000020075703 177390385 /nfs/dbraw/zinc/39/03/85/177390385.db2.gz URDIRMGXLQOJKZ-LBPRGKRZSA-N 1 0 238.334 3.228 10 0 BGAERO CCN(c1ccccc1C(N)=[NH2+])C1CCCCC1 ZINC000020076036 169943541 /nfs/dbraw/zinc/94/35/41/169943541.db2.gz SNQZDLVALKIRMT-UHFFFAOYSA-N 1 0 245.370 3.130 10 0 BGAERO CCN(c1ccccc1)c1ccccc1C(N)=[NH2+] ZINC000020076066 169943572 /nfs/dbraw/zinc/94/35/72/169943572.db2.gz HIBHFMQKTKTMIB-UHFFFAOYSA-N 1 0 239.322 3.129 10 0 BGAERO CCOc1ccccc1Oc1ccccc1C[NH3+] ZINC000020076211 170597549 /nfs/dbraw/zinc/59/75/49/170597549.db2.gz YMYOKVCRCVLXOB-UHFFFAOYSA-N 1 0 243.306 3.336 10 0 BGAERO NC(=[NH2+])c1ccccc1Oc1ccccc1Cl ZINC000020076274 181196480 /nfs/dbraw/zinc/19/64/80/181196480.db2.gz YOGLOGCKEYLSSW-UHFFFAOYSA-N 1 0 246.697 3.416 10 0 BGAERO NC(=[NH2+])c1ccccc1Oc1ccc(Cl)cc1 ZINC000020076280 181196504 /nfs/dbraw/zinc/19/65/04/181196504.db2.gz PNSIIOCPGWQLHV-UHFFFAOYSA-N 1 0 246.697 3.416 10 0 BGAERO Cc1ccc(C)c(Oc2ccccc2C(N)=[NH2+])c1 ZINC000020076301 178493286 /nfs/dbraw/zinc/49/32/86/178493286.db2.gz TZISJLIGENAIKC-UHFFFAOYSA-N 1 0 240.306 3.380 10 0 BGAERO Cc1ccccc1Oc1ccccc1C(N)=[NH2+] ZINC000020076329 179314398 /nfs/dbraw/zinc/31/43/98/179314398.db2.gz WVKGFYUKNZSNCF-UHFFFAOYSA-N 1 0 226.279 3.071 10 0 BGAERO NC(=[NH2+])c1ccccc1Oc1cccc(Cl)c1 ZINC000020076360 181196101 /nfs/dbraw/zinc/19/61/01/181196101.db2.gz RVOYWILWFFNMBH-UHFFFAOYSA-N 1 0 246.697 3.416 10 0 BGAERO COc1cc(C)ccc1Oc1ccccc1C[NH3+] ZINC000020076403 174970001 /nfs/dbraw/zinc/97/00/01/174970001.db2.gz IDEUZNIQJGIIIG-UHFFFAOYSA-N 1 0 243.306 3.255 10 0 BGAERO C[C@@H]1CCCC[C@@H]1Oc1ccccc1C[NH3+] ZINC000020076484 176082286 /nfs/dbraw/zinc/08/22/86/176082286.db2.gz BFVANMKDEBYSJR-YPMHNXCESA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCCC[C@@H]1Oc1ccccc1C[NH3+] ZINC000020076487 177084014 /nfs/dbraw/zinc/08/40/14/177084014.db2.gz BFVANMKDEBYSJR-AAEUAGOBSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H]1CCCC[C@H]1Oc1ccccc1C[NH3+] ZINC000020076488 176089996 /nfs/dbraw/zinc/08/99/96/176089996.db2.gz BFVANMKDEBYSJR-DGCLKSJQSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCCC[C@H]1Oc1ccccc1C[NH3+] ZINC000020076491 177090075 /nfs/dbraw/zinc/09/00/75/177090075.db2.gz BFVANMKDEBYSJR-WCQYABFASA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H](Oc1ccccc1C[NH3+])c1ccccc1 ZINC000020076572 176006055 /nfs/dbraw/zinc/00/60/55/176006055.db2.gz AMUNTGNSSGQTDY-GFCCVEGCSA-N 1 0 227.307 3.285 10 0 BGAERO C[C@H](Oc1ccccc1C[NH3+])c1ccccc1 ZINC000020076574 177024416 /nfs/dbraw/zinc/02/44/16/177024416.db2.gz AMUNTGNSSGQTDY-LBPRGKRZSA-N 1 0 227.307 3.285 10 0 BGAERO C[C@@H](Oc1ccccc1C(N)=[NH2+])c1ccccc1 ZINC000020076579 176005994 /nfs/dbraw/zinc/00/59/94/176005994.db2.gz YPLFJFZGENDQCN-LLVKDONJSA-N 1 0 240.306 3.111 10 0 BGAERO C[C@H](Oc1ccccc1C(N)=[NH2+])c1ccccc1 ZINC000020076582 177024441 /nfs/dbraw/zinc/02/44/41/177024441.db2.gz YPLFJFZGENDQCN-NSHDSACASA-N 1 0 240.306 3.111 10 0 BGAERO Cc1ccc(Oc2ccccc2C(N)=[NH2+])cc1 ZINC000020076612 178821420 /nfs/dbraw/zinc/82/14/20/178821420.db2.gz WSZGUOMGZCQIJN-UHFFFAOYSA-N 1 0 226.279 3.071 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1Oc1ccccc1C(N)=[NH2+] ZINC000020076624 170968137 /nfs/dbraw/zinc/96/81/37/170968137.db2.gz OCPXETDVNNTUGR-YPMHNXCESA-N 1 0 246.354 3.318 10 0 BGAERO NC(=[NH2+])c1ccccc1Oc1ccc(F)cc1F ZINC000020076720 181195877 /nfs/dbraw/zinc/19/58/77/181195877.db2.gz YONCKGUYEDAESC-UHFFFAOYSA-N 1 0 248.232 3.041 10 0 BGAERO CCc1cccc(Oc2ccccc2C(N)=[NH2+])c1 ZINC000020076868 171867226 /nfs/dbraw/zinc/86/72/26/171867226.db2.gz HULBEJFETICEBW-UHFFFAOYSA-N 1 0 240.306 3.325 10 0 BGAERO NC(=[NH2+])c1ccccc1Sc1ccccc1 ZINC000020076930 181196446 /nfs/dbraw/zinc/19/64/46/181196446.db2.gz ZROSBCMCAYGKEA-UHFFFAOYSA-N 1 0 228.320 3.122 10 0 BGAERO NC(=[NH2+])c1ccccc1SCc1ccccc1 ZINC000020076967 181195855 /nfs/dbraw/zinc/19/58/55/181195855.db2.gz SHUQVINKHUKCBT-UHFFFAOYSA-N 1 0 242.347 3.263 10 0 BGAERO NC(=[NH2+])c1ccccc1Sc1ccccc1F ZINC000020076998 181195769 /nfs/dbraw/zinc/19/57/69/181195769.db2.gz TXCZMJBJJIRFTM-UHFFFAOYSA-N 1 0 246.310 3.261 10 0 BGAERO NC(=[NH2+])c1ccccc1Sc1ccc(F)cc1 ZINC000020077039 181195765 /nfs/dbraw/zinc/19/57/65/181195765.db2.gz SWDGVIQUXYWPFQ-UHFFFAOYSA-N 1 0 246.310 3.261 10 0 BGAERO NC(=[NH2+])c1ccc(Sc2cccs2)cc1 ZINC000020078226 181195408 /nfs/dbraw/zinc/19/54/08/181195408.db2.gz QPXJOEYUSBKGMZ-UHFFFAOYSA-N 1 0 234.349 3.183 10 0 BGAERO NC(=[NH2+])c1ccccc1Sc1cccs1 ZINC000020078228 181196488 /nfs/dbraw/zinc/19/64/88/181196488.db2.gz FSDDAPQZSJJJII-UHFFFAOYSA-N 1 0 234.349 3.183 10 0 BGAERO NC(=[NH2+])c1ccccc1CSc1cccs1 ZINC000020078230 181196629 /nfs/dbraw/zinc/19/66/29/181196629.db2.gz VQEPQDBVSLTDPR-UHFFFAOYSA-N 1 0 248.376 3.324 10 0 BGAERO NC(=[NH2+])c1ccc(CSc2cccs2)cc1 ZINC000020078232 181195429 /nfs/dbraw/zinc/19/54/29/181195429.db2.gz RDWJCBBZEMNMHN-UHFFFAOYSA-N 1 0 248.376 3.324 10 0 BGAERO NC(=[NH2+])c1cccc(CSc2cccs2)c1 ZINC000020078242 181196550 /nfs/dbraw/zinc/19/65/50/181196550.db2.gz YGYBKRDODLUJDB-UHFFFAOYSA-N 1 0 248.376 3.324 10 0 BGAERO CCC[C@@H](C)N1Cc2ccccc2C1=[NH2+] ZINC000020078788 169367115 /nfs/dbraw/zinc/36/71/15/169367115.db2.gz FAYOHEFZXZKKNX-SNVBAGLBSA-N 1 0 202.301 3.016 10 0 BGAERO Cc1cc(F)ccc1N1Cc2ccccc2C1=[NH2+] ZINC000020078815 178088693 /nfs/dbraw/zinc/08/86/93/178088693.db2.gz VHWXVCYUDVGHRV-UHFFFAOYSA-N 1 0 240.281 3.480 10 0 BGAERO [NH2+]=C1c2ccccc2CN1Cc1ccccc1F ZINC000020078817 181208188 /nfs/dbraw/zinc/20/81/88/181208188.db2.gz PCBHIBNSTMQJLJ-UHFFFAOYSA-N 1 0 240.281 3.167 10 0 BGAERO [NH2+]=C1c2ccccc2CN1CCc1ccccc1 ZINC000020078835 181207356 /nfs/dbraw/zinc/20/73/56/181207356.db2.gz KIWDQYYBCOWYNI-UHFFFAOYSA-N 1 0 236.318 3.070 10 0 BGAERO CCC(CC)N1Cc2ccccc2C1=[NH2+] ZINC000020078843 168375683 /nfs/dbraw/zinc/37/56/83/168375683.db2.gz XBOKACXHNOCIHM-UHFFFAOYSA-N 1 0 202.301 3.016 10 0 BGAERO CCC(C)(C)N1Cc2ccccc2C1=[NH2+] ZINC000020078847 168287631 /nfs/dbraw/zinc/28/76/31/168287631.db2.gz LMCQJNGZQXUIQU-UHFFFAOYSA-N 1 0 202.301 3.016 10 0 BGAERO [NH2+]=C1c2ccccc2CN1Cc1ccc(F)cc1 ZINC000020078860 181207195 /nfs/dbraw/zinc/20/71/95/181207195.db2.gz TZCKSNYBYRINPZ-UHFFFAOYSA-N 1 0 240.281 3.167 10 0 BGAERO Cc1ccccc1N1Cc2ccccc2C1=[NH2+] ZINC000020078873 179297670 /nfs/dbraw/zinc/29/76/70/179297670.db2.gz QDUUNUMYVBXBDF-UHFFFAOYSA-N 1 0 222.291 3.341 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(C)cc1C ZINC000020082093 169150578 /nfs/dbraw/zinc/15/05/78/169150578.db2.gz BHVYMJMUELJMGQ-INIZCTEOSA-N 1 0 248.414 3.425 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)c1ccc(C)cc1C ZINC000020082096 169152818 /nfs/dbraw/zinc/15/28/18/169152818.db2.gz BHVYMJMUELJMGQ-MRXNPFEDSA-N 1 0 248.414 3.425 10 0 BGAERO COC[C@H](C)[NH2+][C@@H](C)c1cc(C)c(C)cc1C ZINC000020087573 538930752 /nfs/dbraw/zinc/93/07/52/538930752.db2.gz ZWBZABMEBNLQPJ-KBPBESRZSA-N 1 0 235.371 3.297 10 0 BGAERO COC[C@H](C)[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000020087577 538930744 /nfs/dbraw/zinc/93/07/44/538930744.db2.gz ZWBZABMEBNLQPJ-UONOGXRCSA-N 1 0 235.371 3.297 10 0 BGAERO COc1ccccc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000020096852 259388039 /nfs/dbraw/zinc/38/80/39/259388039.db2.gz ZENQQFXXSKQFLI-NWDGAFQWSA-N 1 0 221.344 3.390 10 0 BGAERO COc1ccccc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000020096854 322832573 /nfs/dbraw/zinc/83/25/73/322832573.db2.gz ZENQQFXXSKQFLI-RYUDHWBXSA-N 1 0 221.344 3.390 10 0 BGAERO COc1ccccc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000020096856 259388020 /nfs/dbraw/zinc/38/80/20/259388020.db2.gz ZENQQFXXSKQFLI-VXGBXAGGSA-N 1 0 221.344 3.390 10 0 BGAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000020096857 259388306 /nfs/dbraw/zinc/38/83/06/259388306.db2.gz ZENQQFXXSKQFLI-NEPJUHHUSA-N 1 0 221.344 3.390 10 0 BGAERO CCc1ccc(C[NH2+][C@H](C)c2ccncc2)cc1 ZINC000020121010 171811303 /nfs/dbraw/zinc/81/13/03/171811303.db2.gz MYHIACJSILGBDB-CYBMUJFWSA-N 1 0 240.350 3.495 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1ccncc1 ZINC000020121736 169360016 /nfs/dbraw/zinc/36/00/16/169360016.db2.gz JLFLYBJUUJCZJD-NEPJUHHUSA-N 1 0 206.333 3.168 10 0 BGAERO CCC[C@H](C)C[NH2+][C@@H](C)c1ccncc1 ZINC000020121738 384578333 /nfs/dbraw/zinc/57/83/33/384578333.db2.gz JLFLYBJUUJCZJD-RYUDHWBXSA-N 1 0 206.333 3.168 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@H](C)c1ccncc1 ZINC000020121740 169360553 /nfs/dbraw/zinc/36/05/53/169360553.db2.gz JLFLYBJUUJCZJD-VXGBXAGGSA-N 1 0 206.333 3.168 10 0 BGAERO CCC[C@H](C)C[NH2+][C@H](C)c1ccncc1 ZINC000020121742 384579317 /nfs/dbraw/zinc/57/93/17/384579317.db2.gz JLFLYBJUUJCZJD-NWDGAFQWSA-N 1 0 206.333 3.168 10 0 BGAERO CC(C)CC[C@H](C)[NH2+]Cc1ccc(O)cc1 ZINC000020122859 166905202 /nfs/dbraw/zinc/90/52/02/166905202.db2.gz SUNOGRUKUUHSPS-LBPRGKRZSA-N 1 0 221.344 3.307 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccncc1 ZINC000020126129 179338936 /nfs/dbraw/zinc/33/89/36/179338936.db2.gz JUFOWDCRRQXPNM-ZDUSSCGKSA-N 1 0 226.323 3.241 10 0 BGAERO CC(C)C[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129328 590077307 /nfs/dbraw/zinc/07/73/07/590077307.db2.gz JCCWYTFSWNNUIO-ZBFHGGJFSA-N 1 0 248.414 3.314 10 0 BGAERO CC(C)C[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129329 590077496 /nfs/dbraw/zinc/07/74/96/590077496.db2.gz JCCWYTFSWNNUIO-HOCLYGCPSA-N 1 0 248.414 3.314 10 0 BGAERO CC(C)C[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000020129330 590077642 /nfs/dbraw/zinc/07/76/42/590077642.db2.gz JCCWYTFSWNNUIO-GDBMZVCRSA-N 1 0 248.414 3.314 10 0 BGAERO CC(C)C[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000020129331 590077570 /nfs/dbraw/zinc/07/75/70/590077570.db2.gz JCCWYTFSWNNUIO-GOEBONIOSA-N 1 0 248.414 3.314 10 0 BGAERO CCC(CC)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129356 168390862 /nfs/dbraw/zinc/39/08/62/168390862.db2.gz YDLULGFRBNKDNW-HNNXBMFYSA-N 1 0 234.387 3.068 10 0 BGAERO CCC(CC)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000020129357 168392942 /nfs/dbraw/zinc/39/29/42/168392942.db2.gz YDLULGFRBNKDNW-OAHLLOKOSA-N 1 0 234.387 3.068 10 0 BGAERO CN(C)C[C@@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000020129426 590077097 /nfs/dbraw/zinc/07/70/97/590077097.db2.gz HQGFBMQKEOOBSB-MRXNPFEDSA-N 1 0 246.398 3.212 10 0 BGAERO CN(C)C[C@H]([NH2+]C1CCCCC1)c1ccccc1 ZINC000020129427 590077337 /nfs/dbraw/zinc/07/73/37/590077337.db2.gz HQGFBMQKEOOBSB-INIZCTEOSA-N 1 0 246.398 3.212 10 0 BGAERO CCC[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129428 169371651 /nfs/dbraw/zinc/37/16/51/169371651.db2.gz NSVWJWLWNMCXBL-HIFRSBDPSA-N 1 0 234.387 3.068 10 0 BGAERO CCC[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129429 169493730 /nfs/dbraw/zinc/49/37/30/169493730.db2.gz NSVWJWLWNMCXBL-ZFWWWQNUSA-N 1 0 234.387 3.068 10 0 BGAERO CCC[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000020129430 169371850 /nfs/dbraw/zinc/37/18/50/169371850.db2.gz NSVWJWLWNMCXBL-UKRRQHHQSA-N 1 0 234.387 3.068 10 0 BGAERO CCC[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000020129431 387074819 /nfs/dbraw/zinc/07/48/19/387074819.db2.gz NSVWJWLWNMCXBL-DZGCQCFKSA-N 1 0 234.387 3.068 10 0 BGAERO CC[C@H](C)[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129463 259389464 /nfs/dbraw/zinc/38/94/64/259389464.db2.gz HFSBYEGJHKIVPK-LZWOXQAQSA-N 1 0 248.414 3.314 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000020129465 259389166 /nfs/dbraw/zinc/38/91/66/259389166.db2.gz HFSBYEGJHKIVPK-DZKIICNBSA-N 1 0 248.414 3.314 10 0 BGAERO C[C@@H]([NH2+]C(C1CC1)C1CC1)c1cccc(O)c1 ZINC000020131112 175855118 /nfs/dbraw/zinc/85/51/18/175855118.db2.gz ZRCNTQHXFXHZHX-SNVBAGLBSA-N 1 0 231.339 3.231 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2ccccc2s1 ZINC000020136303 171343721 /nfs/dbraw/zinc/34/37/21/171343721.db2.gz NSHJRGGSQHXMFS-VIFPVBQESA-N 1 0 220.341 3.184 10 0 BGAERO c1csc(C[NH2+][C@@H]2CCOc3ccccc32)c1 ZINC000020139454 342971680 /nfs/dbraw/zinc/97/16/80/342971680.db2.gz SMQUQBBUYWBPRS-CYBMUJFWSA-N 1 0 245.347 3.362 10 0 BGAERO c1csc(C[NH2+][C@H]2CCOc3ccccc32)c1 ZINC000020139456 342971819 /nfs/dbraw/zinc/97/18/19/342971819.db2.gz SMQUQBBUYWBPRS-ZDUSSCGKSA-N 1 0 245.347 3.362 10 0 BGAERO C[C@@H]([NH2+]Cc1ccncc1)c1ccc(F)c(F)c1 ZINC000020140085 356998435 /nfs/dbraw/zinc/99/84/35/356998435.db2.gz DAFPFLZSFMBDBM-SNVBAGLBSA-N 1 0 248.276 3.211 10 0 BGAERO C[C@H]([NH2+]Cc1ccncc1)c1ccc(F)c(F)c1 ZINC000020140087 387074860 /nfs/dbraw/zinc/07/48/60/387074860.db2.gz DAFPFLZSFMBDBM-JTQLQIEISA-N 1 0 248.276 3.211 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000020140269 384582853 /nfs/dbraw/zinc/58/28/53/384582853.db2.gz LGPRDTSTIVIIEB-CYBMUJFWSA-N 1 0 240.350 3.495 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]Cc2ccncc2)cc1 ZINC000020140272 384586053 /nfs/dbraw/zinc/58/60/53/384586053.db2.gz LGPRDTSTIVIIEB-ZDUSSCGKSA-N 1 0 240.350 3.495 10 0 BGAERO CC[C@@H]([NH2+]Cc1cccnc1)c1ccc(O)cc1 ZINC000020140921 170902932 /nfs/dbraw/zinc/90/29/32/170902932.db2.gz QETGXPQBPZGUJI-OAHLLOKOSA-N 1 0 242.322 3.028 10 0 BGAERO COCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000020142202 259389104 /nfs/dbraw/zinc/38/91/04/259389104.db2.gz QVJQBUGPLBBFIN-BFHYXJOUSA-N 1 0 227.392 3.073 10 0 BGAERO CCCCCC[NH2+]Cc1ccc(O)cc1 ZINC000020143507 168669254 /nfs/dbraw/zinc/66/92/54/168669254.db2.gz NTIHSEQLDVRWEO-UHFFFAOYSA-N 1 0 207.317 3.062 10 0 BGAERO CCOc1ccc([C@@H](C)[NH2+]C(C)C)cc1F ZINC000020177155 342974045 /nfs/dbraw/zinc/97/40/45/342974045.db2.gz LINCEUNRZXADAL-SNVBAGLBSA-N 1 0 225.307 3.283 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+]C(C)C)cc1F ZINC000020177157 170562468 /nfs/dbraw/zinc/56/24/68/170562468.db2.gz LINCEUNRZXADAL-JTQLQIEISA-N 1 0 225.307 3.283 10 0 BGAERO CCOc1ccc([C@@H](C)[NH2+]C2CC2)cc1F ZINC000020177159 342974344 /nfs/dbraw/zinc/97/43/44/342974344.db2.gz IQYQZABCPWJKMG-SECBINFHSA-N 1 0 223.291 3.037 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+]C2CC2)cc1F ZINC000020177161 342974434 /nfs/dbraw/zinc/97/44/34/342974434.db2.gz IQYQZABCPWJKMG-VIFPVBQESA-N 1 0 223.291 3.037 10 0 BGAERO CCN(CC[C@H]1CCCC[NH2+]1)c1cccc(C)c1 ZINC000020180468 169872384 /nfs/dbraw/zinc/87/23/84/169872384.db2.gz AQLYJNKSJUMKMI-OAHLLOKOSA-N 1 0 246.398 3.354 10 0 BGAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCCOCC1CC1 ZINC000020190391 177113646 /nfs/dbraw/zinc/11/36/46/177113646.db2.gz XUWDZNCXSRDSDQ-NNQSOWQGSA-N 1 0 239.403 3.217 10 0 BGAERO CC[n+]1c(C)sc2cc(C)cc(C)c21 ZINC000020191045 342975694 /nfs/dbraw/zinc/97/56/94/342975694.db2.gz WRCUWFFXXVSDLK-UHFFFAOYSA-N 1 0 206.334 3.134 10 0 BGAERO Nc1ccccc1CCC[NH+]1CCCCCC1 ZINC000020192135 181754075 /nfs/dbraw/zinc/75/40/75/181754075.db2.gz NMYGRYOKJHXCPW-UHFFFAOYSA-N 1 0 232.371 3.077 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1CCCc1ccccc1N ZINC000020192175 176070775 /nfs/dbraw/zinc/07/07/75/176070775.db2.gz PWKMMMNERUTDEO-CYBMUJFWSA-N 1 0 232.371 3.076 10 0 BGAERO C[C@H]1CCCC[N@@H+]1CCCc1ccccc1N ZINC000020192179 177075208 /nfs/dbraw/zinc/07/52/08/177075208.db2.gz PWKMMMNERUTDEO-ZDUSSCGKSA-N 1 0 232.371 3.076 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1CCCc1cccc(N)c1 ZINC000020192280 176070972 /nfs/dbraw/zinc/07/09/72/176070972.db2.gz QKUHGJBJPYFDEG-CYBMUJFWSA-N 1 0 232.371 3.076 10 0 BGAERO C[C@H]1CCCC[N@@H+]1CCCc1cccc(N)c1 ZINC000020192284 177075653 /nfs/dbraw/zinc/07/56/53/177075653.db2.gz QKUHGJBJPYFDEG-ZDUSSCGKSA-N 1 0 232.371 3.076 10 0 BGAERO CC1CC[NH+](Cc2cc(N)ccc2Cl)CC1 ZINC000020192490 168184809 /nfs/dbraw/zinc/18/48/09/168184809.db2.gz OXFHPXPJQNLCDS-UHFFFAOYSA-N 1 0 238.762 3.154 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1Cc1cc(N)ccc1Cl ZINC000020192547 176072924 /nfs/dbraw/zinc/07/29/24/176072924.db2.gz KJPCFHOURUUSEO-SNVBAGLBSA-N 1 0 238.762 3.297 10 0 BGAERO C[C@H]1CCCC[N@@H+]1Cc1cc(N)ccc1Cl ZINC000020192553 177077913 /nfs/dbraw/zinc/07/79/13/177077913.db2.gz KJPCFHOURUUSEO-JTQLQIEISA-N 1 0 238.762 3.297 10 0 BGAERO C[C@@H]1CCC[N@H+](Cc2cc(N)ccc2Cl)C1 ZINC000020192556 176099853 /nfs/dbraw/zinc/09/98/53/176099853.db2.gz ONIUZNXFJSHEBL-SNVBAGLBSA-N 1 0 238.762 3.154 10 0 BGAERO C[C@H]1CCC[N@H+](Cc2cc(N)ccc2Cl)C1 ZINC000020192559 177099132 /nfs/dbraw/zinc/09/91/32/177099132.db2.gz ONIUZNXFJSHEBL-JTQLQIEISA-N 1 0 238.762 3.154 10 0 BGAERO CC1CC[NH+](Cc2ccc(N)cc2Cl)CC1 ZINC000020192755 168183773 /nfs/dbraw/zinc/18/37/73/168183773.db2.gz OEAXXLRMPWWZEP-UHFFFAOYSA-N 1 0 238.762 3.154 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1Cl ZINC000020192806 176072987 /nfs/dbraw/zinc/07/29/87/176072987.db2.gz SWIBVUMKHVSYTG-SNVBAGLBSA-N 1 0 238.762 3.297 10 0 BGAERO C[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1Cl ZINC000020192808 177077109 /nfs/dbraw/zinc/07/71/09/177077109.db2.gz SWIBVUMKHVSYTG-JTQLQIEISA-N 1 0 238.762 3.297 10 0 BGAERO C[C@@H]1CCC[N@H+](Cc2ccc(N)cc2Cl)C1 ZINC000020192810 176101287 /nfs/dbraw/zinc/10/12/87/176101287.db2.gz XJXDHQRKZXDZPM-SNVBAGLBSA-N 1 0 238.762 3.154 10 0 BGAERO C[C@H]1CCC[N@H+](Cc2ccc(N)cc2Cl)C1 ZINC000020192811 177101325 /nfs/dbraw/zinc/10/13/25/177101325.db2.gz XJXDHQRKZXDZPM-JTQLQIEISA-N 1 0 238.762 3.154 10 0 BGAERO CC[C@@H]([NH2+]C(C)(C)CO)c1ccc(Cl)cc1 ZINC000020196511 590081918 /nfs/dbraw/zinc/08/19/18/590081918.db2.gz HLCWMIGZPMDZSF-GFCCVEGCSA-N 1 0 241.762 3.152 10 0 BGAERO CC[C@H]([NH2+]C(C)(C)CO)c1ccc(Cl)cc1 ZINC000020196513 590081612 /nfs/dbraw/zinc/08/16/12/590081612.db2.gz HLCWMIGZPMDZSF-LBPRGKRZSA-N 1 0 241.762 3.152 10 0 BGAERO C=COCCC[NH2+]Cc1c(C)cc(C)cc1C ZINC000020197068 187936282 /nfs/dbraw/zinc/93/62/82/187936282.db2.gz APNIUFWSQJGNFC-UHFFFAOYSA-N 1 0 233.355 3.252 10 0 BGAERO C=COCCC[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000020197599 188462355 /nfs/dbraw/zinc/46/23/55/188462355.db2.gz XPOJTQPAWLFEJS-CYBMUJFWSA-N 1 0 233.355 3.450 10 0 BGAERO CC(C)OCCC[NH2+]CCCc1ccccc1 ZINC000020198334 167220506 /nfs/dbraw/zinc/22/05/06/167220506.db2.gz QUUANZXBHCKGAB-UHFFFAOYSA-N 1 0 235.371 3.024 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)CCc1ccccc1)[C@@H]1CCCO1 ZINC000020206304 175686535 /nfs/dbraw/zinc/68/65/35/175686535.db2.gz ZTQOSPJVNRLAJG-LZWOXQAQSA-N 1 0 247.382 3.165 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000020207169 179339354 /nfs/dbraw/zinc/33/93/54/179339354.db2.gz FUJCYWBRDZTXDF-GUTXKFCHSA-N 1 0 233.355 3.213 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000020207173 179338176 /nfs/dbraw/zinc/33/81/76/179338176.db2.gz FUJCYWBRDZTXDF-YDHLFZDLSA-N 1 0 233.355 3.213 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@@H]1CCCO1 ZINC000020207773 342977172 /nfs/dbraw/zinc/97/71/72/342977172.db2.gz CKINPWPTHFAWEW-WDMOLILDSA-N 1 0 237.318 3.044 10 0 BGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccc(F)c1 ZINC000020207777 384600355 /nfs/dbraw/zinc/60/03/55/384600355.db2.gz CKINPWPTHFAWEW-MJVIPROJSA-N 1 0 237.318 3.044 10 0 BGAERO CCCC(CCC)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000020207868 590085934 /nfs/dbraw/zinc/08/59/34/590085934.db2.gz WEGNZIZQFJSNEP-AAEUAGOBSA-N 1 0 213.365 3.112 10 0 BGAERO CCCC(CCC)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000020207872 168583199 /nfs/dbraw/zinc/58/31/99/168583199.db2.gz WEGNZIZQFJSNEP-YPMHNXCESA-N 1 0 213.365 3.112 10 0 BGAERO CCCC(CCC)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000020207876 590085990 /nfs/dbraw/zinc/08/59/90/590085990.db2.gz WEGNZIZQFJSNEP-WCQYABFASA-N 1 0 213.365 3.112 10 0 BGAERO CCCC(CCC)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000020207879 590085631 /nfs/dbraw/zinc/08/56/31/590085631.db2.gz WEGNZIZQFJSNEP-DGCLKSJQSA-N 1 0 213.365 3.112 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000020207974 259391107 /nfs/dbraw/zinc/39/11/07/259391107.db2.gz DYMGXWMZRAXHEK-XEZPLFJOSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000020207980 259390874 /nfs/dbraw/zinc/39/08/74/259390874.db2.gz DYMGXWMZRAXHEK-ZENOOKHLSA-N 1 0 247.382 3.467 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000020207995 171299350 /nfs/dbraw/zinc/29/93/50/171299350.db2.gz LHFREFNBELZFLG-XUXIUFHCSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1cccs1 ZINC000020208752 352208445 /nfs/dbraw/zinc/20/84/45/352208445.db2.gz AQBJGGYHJBFNPG-SRVKXCTJSA-N 1 0 239.384 3.356 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1cccs1 ZINC000020208760 352208340 /nfs/dbraw/zinc/20/83/40/352208340.db2.gz AQBJGGYHJBFNPG-WOPDTQHZSA-N 1 0 239.384 3.356 10 0 BGAERO C[C@H]([NH3+])c1cccc(OC2CCCCC2)c1 ZINC000020210309 343139856 /nfs/dbraw/zinc/13/98/56/343139856.db2.gz KDAJNNPXBWHWAY-NSHDSACASA-N 1 0 219.328 3.418 10 0 BGAERO Cc1c([C@@H](C)[NH3+])cnn1-c1ccc(C)c(Cl)c1 ZINC000020216616 178349647 /nfs/dbraw/zinc/34/96/47/178349647.db2.gz UKPDHQOBGDLULI-SECBINFHSA-N 1 0 249.745 3.162 10 0 BGAERO Cc1c([C@H](C)[NH3+])cnn1-c1ccc(C)c(Cl)c1 ZINC000020216617 178349330 /nfs/dbraw/zinc/34/93/30/178349330.db2.gz UKPDHQOBGDLULI-VIFPVBQESA-N 1 0 249.745 3.162 10 0 BGAERO Cc1cccc(C)c1OCC[C@@H]1CCCC[NH2+]1 ZINC000020221487 179046276 /nfs/dbraw/zinc/04/62/76/179046276.db2.gz OTTKTACQUZYPGZ-AWEZNQCLSA-N 1 0 233.355 3.214 10 0 BGAERO Cc1cccc(C)c1OCC[C@H]1CCCC[NH2+]1 ZINC000020221488 179046525 /nfs/dbraw/zinc/04/65/25/179046525.db2.gz OTTKTACQUZYPGZ-CQSZACIVSA-N 1 0 233.355 3.214 10 0 BGAERO Cc1cc(OC[C@@H]2CCC[NH2+]2)ccc1C(C)C ZINC000020221613 178212036 /nfs/dbraw/zinc/21/20/36/178212036.db2.gz QYRRDFYEGALIIO-ZDUSSCGKSA-N 1 0 233.355 3.249 10 0 BGAERO Cc1cc(OC[C@@H]2CCC[NH2+]2)cc(C)c1Cl ZINC000020221619 178212364 /nfs/dbraw/zinc/21/23/64/178212364.db2.gz NBRDSAZYBKHRKL-NSHDSACASA-N 1 0 239.746 3.088 10 0 BGAERO Clc1ccc(Cl)c(OC[C@@H]2CCC[NH2+]2)c1 ZINC000020221622 180581979 /nfs/dbraw/zinc/58/19/79/180581979.db2.gz BHHSXBAJHMYMFA-VIFPVBQESA-N 1 0 246.137 3.124 10 0 BGAERO Clc1cccc(OC[C@@H]2CCC[NH2+]2)c1Cl ZINC000020221623 180592036 /nfs/dbraw/zinc/59/20/36/180592036.db2.gz XPUHGOXIVFPGSZ-QMMMGPOBSA-N 1 0 246.137 3.124 10 0 BGAERO Clc1cccc(Cl)c1OC[C@@H]1CCC[NH2+]1 ZINC000020221624 180591395 /nfs/dbraw/zinc/59/13/95/180591395.db2.gz ZSSBPPQHMDOBOY-QMMMGPOBSA-N 1 0 246.137 3.124 10 0 BGAERO Cc1ccc(OC[C@@H]2CCC[NH2+]2)c(C(C)(C)C)c1 ZINC000020221629 178813748 /nfs/dbraw/zinc/81/37/48/178813748.db2.gz FGFRALZCKNGNMC-ZDUSSCGKSA-N 1 0 247.382 3.423 10 0 BGAERO CCC[N@H+](C)[C@@H](CN)c1ccc(C(C)C)cc1 ZINC000020226070 169086255 /nfs/dbraw/zinc/08/62/55/169086255.db2.gz RETQTCVTLIISJW-HNNXBMFYSA-N 1 0 234.387 3.152 10 0 BGAERO CCC[N@H+](C)[C@H](CN)c1ccc(C(C)C)cc1 ZINC000020226071 169086198 /nfs/dbraw/zinc/08/61/98/169086198.db2.gz RETQTCVTLIISJW-OAHLLOKOSA-N 1 0 234.387 3.152 10 0 BGAERO CCC[N@H+](C)[C@@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226322 169086010 /nfs/dbraw/zinc/08/60/10/169086010.db2.gz FNMOBIDDDCPDBJ-HNNXBMFYSA-N 1 0 248.414 3.326 10 0 BGAERO CCC[N@H+](C)[C@H](CN)c1ccc(C(C)(C)C)cc1 ZINC000020226323 169085987 /nfs/dbraw/zinc/08/59/87/169085987.db2.gz FNMOBIDDDCPDBJ-OAHLLOKOSA-N 1 0 248.414 3.326 10 0 BGAERO Cc1cccc(C[N@@H+](C)C2(C[NH3+])CCCCC2)c1 ZINC000020226846 179064580 /nfs/dbraw/zinc/06/45/80/179064580.db2.gz RBPWMVGODNUEQO-UHFFFAOYSA-N 1 0 246.398 3.088 10 0 BGAERO CC(C)N(CC[NH+](C(C)C)C(C)C)C(C)C ZINC000020232820 343626858 /nfs/dbraw/zinc/62/68/58/343626858.db2.gz MUESDKXVLSXRPO-UHFFFAOYSA-N 1 0 228.424 3.224 10 0 BGAERO [NH3+]CCCN(Cc1cccs1)c1ccccc1 ZINC000020236865 181380337 /nfs/dbraw/zinc/38/03/37/181380337.db2.gz GRJFKLQKNOHLSG-UHFFFAOYSA-N 1 0 246.379 3.104 10 0 BGAERO c1cc2c(cc1C[NH+]1CCCCC1)CCCN2 ZINC000020247985 183368652 /nfs/dbraw/zinc/36/86/52/183368652.db2.gz AXJUTTHVGMGACZ-UHFFFAOYSA-N 1 0 230.355 3.031 10 0 BGAERO CC(C)(C)[NH2+]Cc1ccc2ncccc2c1 ZINC000020248307 166635645 /nfs/dbraw/zinc/63/56/45/166635645.db2.gz GKJHUUFNFQATKR-UHFFFAOYSA-N 1 0 214.312 3.123 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000020251748 169353233 /nfs/dbraw/zinc/35/32/33/169353233.db2.gz FWLMZHRFBLSXBF-GHMZBOCLSA-N 1 0 234.343 3.081 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000020251751 169352988 /nfs/dbraw/zinc/35/29/88/169352988.db2.gz FWLMZHRFBLSXBF-MNOVXSKESA-N 1 0 234.343 3.081 10 0 BGAERO COc1ccc([C@@H]([NH3+])CCC(C)C)cc1OC ZINC000020252075 175179295 /nfs/dbraw/zinc/17/92/95/175179295.db2.gz XJIRKSFGTJBEHO-LBPRGKRZSA-N 1 0 237.343 3.140 10 0 BGAERO COc1ccc([C@H]([NH3+])CCC(C)C)cc1OC ZINC000020252077 175191727 /nfs/dbraw/zinc/19/17/27/175191727.db2.gz XJIRKSFGTJBEHO-GFCCVEGCSA-N 1 0 237.343 3.140 10 0 BGAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000020252078 169372271 /nfs/dbraw/zinc/37/22/71/169372271.db2.gz HMQHAVXSKYBGPE-QMTHXVAHSA-N 1 0 237.343 3.140 10 0 BGAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000020252080 169495040 /nfs/dbraw/zinc/49/50/40/169495040.db2.gz HMQHAVXSKYBGPE-IINYFYTJSA-N 1 0 237.343 3.140 10 0 BGAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000020252081 169373184 /nfs/dbraw/zinc/37/31/84/169373184.db2.gz HMQHAVXSKYBGPE-YGRLFVJLSA-N 1 0 237.343 3.140 10 0 BGAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000020252222 169372472 /nfs/dbraw/zinc/37/24/72/169372472.db2.gz KFQAQBOISGNLGB-MEBBXXQBSA-N 1 0 246.354 3.007 10 0 BGAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)CCC(=O)N2 ZINC000020252225 169373704 /nfs/dbraw/zinc/37/37/04/169373704.db2.gz KFQAQBOISGNLGB-BMIGLBTASA-N 1 0 246.354 3.007 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])Cn1ccnc1C(C)C ZINC000020262119 179343502 /nfs/dbraw/zinc/34/35/02/179343502.db2.gz UBRLMWPJDFDTHG-CQSZACIVSA-N 1 0 243.354 3.015 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])Cn1ccnc1C(C)C ZINC000020262121 179324070 /nfs/dbraw/zinc/32/40/70/179324070.db2.gz UBRLMWPJDFDTHG-AWEZNQCLSA-N 1 0 243.354 3.015 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccc2c(c1)CCCC2 ZINC000020264997 170888694 /nfs/dbraw/zinc/88/86/94/170888694.db2.gz YROXWSYOVHFCNN-CQSZACIVSA-N 1 0 203.329 3.236 10 0 BGAERO Cc1ccc(-c2ccc([C@@H](C)[NH3+])o2)cc1 ZINC000020267833 178325972 /nfs/dbraw/zinc/32/59/72/178325972.db2.gz FJHNUUQNJUKQHV-SNVBAGLBSA-N 1 0 201.269 3.275 10 0 BGAERO Cc1ccc(-c2ccc([C@H](C)[NH3+])o2)cc1 ZINC000020267835 178325818 /nfs/dbraw/zinc/32/58/18/178325818.db2.gz FJHNUUQNJUKQHV-JTQLQIEISA-N 1 0 201.269 3.275 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2ccc(F)cc2)o1 ZINC000020267843 176776114 /nfs/dbraw/zinc/77/61/14/176776114.db2.gz WHKFVNYOYZWKQN-QMMMGPOBSA-N 1 0 205.232 3.105 10 0 BGAERO CC(C)(C)c1ccc(-c2cc(C[NH3+])no2)cc1 ZINC000020270358 188108591 /nfs/dbraw/zinc/10/85/91/188108591.db2.gz PXWOBWQUSVNVNU-UHFFFAOYSA-N 1 0 230.311 3.098 10 0 BGAERO [NH3+][C@@H](CF)c1ccc(-c2ccccc2)cc1 ZINC000020285859 181546829 /nfs/dbraw/zinc/54/68/29/181546829.db2.gz IZDVENKECHNYCP-AWEZNQCLSA-N 1 0 215.271 3.323 10 0 BGAERO [NH3+][C@H](CF)c1ccc(-c2ccccc2)cc1 ZINC000020285861 181616660 /nfs/dbraw/zinc/61/66/60/181616660.db2.gz IZDVENKECHNYCP-CQSZACIVSA-N 1 0 215.271 3.323 10 0 BGAERO CCOc1ccc(C[NH2+][C@@H](C)C(C)C)cc1 ZINC000020305385 633812321 /nfs/dbraw/zinc/81/23/21/633812321.db2.gz SSDRCBDDYZSMAF-LBPRGKRZSA-N 1 0 221.344 3.219 10 0 BGAERO CCOc1ccc(C[NH2+][C@H](C)C(C)C)cc1 ZINC000020305386 633812726 /nfs/dbraw/zinc/81/27/26/633812726.db2.gz SSDRCBDDYZSMAF-GFCCVEGCSA-N 1 0 221.344 3.219 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000020305411 167382691 /nfs/dbraw/zinc/38/26/91/167382691.db2.gz FZARMZHLJIDMIE-GFCCVEGCSA-N 1 0 228.339 3.369 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1ccc2ncccc2c1 ZINC000020305412 187936523 /nfs/dbraw/zinc/93/65/23/187936523.db2.gz FZARMZHLJIDMIE-LBPRGKRZSA-N 1 0 228.339 3.369 10 0 BGAERO Cc1cc(C[NH2+][C@H](C)C(C)C)cc(C)c1O ZINC000020305429 135652771 /nfs/dbraw/zinc/65/27/71/135652771.db2.gz YYNGFMKXVHOAJE-GFCCVEGCSA-N 1 0 221.344 3.143 10 0 BGAERO Cc1cc(C[NH2+][C@@H](C)C(C)C)cc(C)c1O ZINC000020305431 353705345 /nfs/dbraw/zinc/70/53/45/353705345.db2.gz YYNGFMKXVHOAJE-LBPRGKRZSA-N 1 0 221.344 3.143 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC(C)(C)C1 ZINC000020305963 176375513 /nfs/dbraw/zinc/37/55/13/176375513.db2.gz WCOKEANOOZNLKQ-ZIAGYGMSSA-N 1 0 249.402 3.078 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCCn2ccnc2)CC(C)(C)C1 ZINC000020305966 590097256 /nfs/dbraw/zinc/09/72/56/590097256.db2.gz WCOKEANOOZNLKQ-KGLIPLIRSA-N 1 0 249.402 3.078 10 0 BGAERO Cc1c2ccc3sccc3c2s[n+]1C ZINC000020343709 342982206 /nfs/dbraw/zinc/98/22/06/342982206.db2.gz PPBAPEFVUJTWQX-UHFFFAOYSA-N 1 0 220.342 3.249 10 0 BGAERO CCn1nccc1[C@@H](C)[NH2+]Cc1cccc(C)c1 ZINC000020349495 523745163 /nfs/dbraw/zinc/74/51/63/523745163.db2.gz DEGBMTGZVSHMHK-CYBMUJFWSA-N 1 0 243.354 3.062 10 0 BGAERO CCn1nccc1[C@H](C)[NH2+]Cc1cccc(C)c1 ZINC000020349496 172276913 /nfs/dbraw/zinc/27/69/13/172276913.db2.gz DEGBMTGZVSHMHK-ZDUSSCGKSA-N 1 0 243.354 3.062 10 0 BGAERO CCn1nccc1[C@@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000020349497 172277625 /nfs/dbraw/zinc/27/76/25/172277625.db2.gz ZPORRWUTGVIDFS-CYBMUJFWSA-N 1 0 243.354 3.062 10 0 BGAERO CCn1nccc1[C@H](C)[NH2+]Cc1ccc(C)cc1 ZINC000020349498 172277654 /nfs/dbraw/zinc/27/76/54/172277654.db2.gz ZPORRWUTGVIDFS-ZDUSSCGKSA-N 1 0 243.354 3.062 10 0 BGAERO CCn1ncc([C@@H](C)[NH2+]Cc2ccccc2)c1C ZINC000020349611 187316624 /nfs/dbraw/zinc/31/66/24/187316624.db2.gz RSNSBGHKRQSSER-GFCCVEGCSA-N 1 0 243.354 3.062 10 0 BGAERO CCn1cc([C@@H](C)[NH2+]Cc2ccccc2)c(C)n1 ZINC000020349671 172193936 /nfs/dbraw/zinc/19/39/36/172193936.db2.gz NKMTYTIITLRRIL-GFCCVEGCSA-N 1 0 243.354 3.062 10 0 BGAERO CCn1cc([C@H](C)[NH2+]Cc2ccccc2)c(C)n1 ZINC000020349672 172197392 /nfs/dbraw/zinc/19/73/92/172197392.db2.gz NKMTYTIITLRRIL-LBPRGKRZSA-N 1 0 243.354 3.062 10 0 BGAERO CCn1nccc1[C@@H](C)[NH2+]Cc1sccc1C ZINC000020351455 172276864 /nfs/dbraw/zinc/27/68/64/172276864.db2.gz PZXPBRVEMZYSHV-LLVKDONJSA-N 1 0 249.383 3.124 10 0 BGAERO CCn1nccc1[C@H](C)[NH2+]Cc1sccc1C ZINC000020351456 172277759 /nfs/dbraw/zinc/27/77/59/172277759.db2.gz PZXPBRVEMZYSHV-NSHDSACASA-N 1 0 249.383 3.124 10 0 BGAERO CCn1ncc([C@H](C)[NH2+]Cc2cccs2)c1C ZINC000020351532 187253838 /nfs/dbraw/zinc/25/38/38/187253838.db2.gz PQUUQWZQBWGYJC-JTQLQIEISA-N 1 0 249.383 3.124 10 0 BGAERO [NH3+]Cc1ccc(O[C@@H]2CCc3ccccc32)cc1 ZINC000020352325 181485948 /nfs/dbraw/zinc/48/59/48/181485948.db2.gz TXYSDMVVEPSAFK-MRXNPFEDSA-N 1 0 239.318 3.212 10 0 BGAERO C[C@@H]1CCCC[C@@H]1NC1=[NH+]CC(C)(C)S1 ZINC000020354450 176080561 /nfs/dbraw/zinc/08/05/61/176080561.db2.gz FHFWPTTTWSFXTR-ZJUUUORDSA-N 1 0 226.389 3.036 10 0 BGAERO C[C@H]1CCCC[C@@H]1NC1=[NH+]CC(C)(C)S1 ZINC000020354452 177082574 /nfs/dbraw/zinc/08/25/74/177082574.db2.gz FHFWPTTTWSFXTR-UWVGGRQHSA-N 1 0 226.389 3.036 10 0 BGAERO C[C@@H]1CCCC[C@H]1NC1=[NH+]CC(C)(C)S1 ZINC000020354454 176087761 /nfs/dbraw/zinc/08/77/61/176087761.db2.gz FHFWPTTTWSFXTR-NXEZZACHSA-N 1 0 226.389 3.036 10 0 BGAERO C[C@H]1CCCC[C@H]1NC1=[NH+]CC(C)(C)S1 ZINC000020354456 177088443 /nfs/dbraw/zinc/08/84/43/177088443.db2.gz FHFWPTTTWSFXTR-VHSXEESVSA-N 1 0 226.389 3.036 10 0 BGAERO CC(C)[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000020360820 167108990 /nfs/dbraw/zinc/10/89/90/167108990.db2.gz OGCZOVMNLOSLEI-UHFFFAOYSA-N 1 0 248.153 3.370 10 0 BGAERO CC(C)[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000020360827 167108838 /nfs/dbraw/zinc/10/88/38/167108838.db2.gz PYXBHRQZXIEGDL-UHFFFAOYSA-N 1 0 248.153 3.370 10 0 BGAERO Cc1cc(C)cc(OCCC[NH2+]C(C)C)c1 ZINC000020360829 177912827 /nfs/dbraw/zinc/91/28/27/177912827.db2.gz CXQOWJCZBDAVJA-UHFFFAOYSA-N 1 0 221.344 3.070 10 0 BGAERO CC(C)[NH2+]CCCOc1ccc(Cl)cc1 ZINC000020360830 167102076 /nfs/dbraw/zinc/10/20/76/167102076.db2.gz UTRVYOXOMXSSCX-UHFFFAOYSA-N 1 0 227.735 3.107 10 0 BGAERO CC[NH2+]CCCOc1ccc(C(C)(C)C)cc1 ZINC000020361060 170112941 /nfs/dbraw/zinc/11/29/41/170112941.db2.gz YCOYXFGZBSMZIT-UHFFFAOYSA-N 1 0 235.371 3.363 10 0 BGAERO CCC[NH2+]CCOc1ccc(Cl)cc1Cl ZINC000020361256 169260266 /nfs/dbraw/zinc/26/02/66/169260266.db2.gz AEXSFFDZEFPDOZ-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CCC[NH2+]CCOc1ccc(C(C)C)c(C)c1 ZINC000020361261 169260579 /nfs/dbraw/zinc/26/05/79/169260579.db2.gz ILOOCUFGELHWMH-UHFFFAOYSA-N 1 0 235.371 3.497 10 0 BGAERO CCC[NH2+]CCOc1cc(Cl)ccc1Cl ZINC000020361264 169260645 /nfs/dbraw/zinc/26/06/45/169260645.db2.gz BXHLINQAQJGOSU-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CCC[NH2+]CCCOc1cc(C)cc(C)c1 ZINC000020361266 169257689 /nfs/dbraw/zinc/25/76/89/169257689.db2.gz XPKJYVAYOKJAME-UHFFFAOYSA-N 1 0 221.344 3.072 10 0 BGAERO CCC[NH2+]CCCOc1ccc(Cl)cc1 ZINC000020361268 169257542 /nfs/dbraw/zinc/25/75/42/169257542.db2.gz ORJFRLKLUHUQCP-UHFFFAOYSA-N 1 0 227.735 3.109 10 0 BGAERO CCC[NH2+]CCCOc1cc(C)ccc1C ZINC000020361269 169257291 /nfs/dbraw/zinc/25/72/91/169257291.db2.gz IKZGSDCOYGRJGS-UHFFFAOYSA-N 1 0 221.344 3.072 10 0 BGAERO CCC[NH2+]CCOc1ccc(C(C)(C)C)cc1 ZINC000020361271 169260427 /nfs/dbraw/zinc/26/04/27/169260427.db2.gz DORPODJVEMXRIY-UHFFFAOYSA-N 1 0 235.371 3.363 10 0 BGAERO CCCCCC[NH2+]C[C@H](c1ccccc1)N(C)C ZINC000020361538 168667128 /nfs/dbraw/zinc/66/71/28/168667128.db2.gz CSQSIJYTYWVKLD-MRXNPFEDSA-N 1 0 248.414 3.459 10 0 BGAERO [NH2+]=C1CCCN1c1ccc(Br)cc1 ZINC000020368430 181206728 /nfs/dbraw/zinc/20/67/28/181206728.db2.gz ODCCVYVXKHZDBP-UHFFFAOYSA-N 1 0 239.116 3.027 10 0 BGAERO [NH2+]=C1CCCN1c1cccc(Br)c1 ZINC000020368432 181206931 /nfs/dbraw/zinc/20/69/31/181206931.db2.gz VLUUEPJQHNUSQU-UHFFFAOYSA-N 1 0 239.116 3.027 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000020369176 538931514 /nfs/dbraw/zinc/93/15/14/538931514.db2.gz HCZYBPRSKCZGRB-LBPRGKRZSA-N 1 0 203.285 3.479 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1cc2ccccc2o1 ZINC000020369179 538931447 /nfs/dbraw/zinc/93/14/47/538931447.db2.gz HCZYBPRSKCZGRB-GFCCVEGCSA-N 1 0 203.285 3.479 10 0 BGAERO CCCC[C@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000020384419 169008762 /nfs/dbraw/zinc/00/87/62/169008762.db2.gz SHHYMBKIPHHVLW-AWEZNQCLSA-N 1 0 203.329 3.365 10 0 BGAERO COc1ccc(-c2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000020391027 175034419 /nfs/dbraw/zinc/03/44/19/175034419.db2.gz SXXKBWJHNOBRRB-LLVKDONJSA-N 1 0 227.307 3.382 10 0 BGAERO COc1ccc(-c2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000020391030 175034342 /nfs/dbraw/zinc/03/43/42/175034342.db2.gz SXXKBWJHNOBRRB-NSHDSACASA-N 1 0 227.307 3.382 10 0 BGAERO Cc1ccc(-c2ccc(C[NH3+])cc2)cc1C ZINC000020391419 178324245 /nfs/dbraw/zinc/32/42/45/178324245.db2.gz NFAGFZRTSXSHBW-UHFFFAOYSA-N 1 0 211.308 3.429 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccccc2C)c1 ZINC000020391640 175288509 /nfs/dbraw/zinc/28/85/09/175288509.db2.gz QBLATMNGCWSGJX-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccccc2C)c1 ZINC000020391643 175294848 /nfs/dbraw/zinc/29/48/48/175294848.db2.gz QBLATMNGCWSGJX-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO COc1cccc(-c2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000020391665 175233979 /nfs/dbraw/zinc/23/39/79/175233979.db2.gz HWIQQMWVLNDSBZ-LLVKDONJSA-N 1 0 227.307 3.382 10 0 BGAERO COc1cccc(-c2ccc([C@H](C)[NH3+])cc2)c1 ZINC000020391668 175234195 /nfs/dbraw/zinc/23/41/95/175234195.db2.gz HWIQQMWVLNDSBZ-NSHDSACASA-N 1 0 227.307 3.382 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccccc2C)c1 ZINC000020391671 179185918 /nfs/dbraw/zinc/18/59/18/179185918.db2.gz SISMSVWYCBEGBE-OAHLLOKOSA-N 1 0 211.308 3.352 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccccc2C)c1 ZINC000020391674 179199859 /nfs/dbraw/zinc/19/98/59/179199859.db2.gz SISMSVWYCBEGBE-HNNXBMFYSA-N 1 0 211.308 3.352 10 0 BGAERO C[C@@H]([NH3+])[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020392087 175814562 /nfs/dbraw/zinc/81/45/62/175814562.db2.gz OQZZHWBQASNXTH-LERXQTSPSA-N 1 0 217.356 3.435 10 0 BGAERO C[C@H]([NH3+])[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020392089 176774028 /nfs/dbraw/zinc/77/40/28/176774028.db2.gz OQZZHWBQASNXTH-ZLKJLUDKSA-N 1 0 217.356 3.435 10 0 BGAERO CCCCOc1ccccc1[C@@H]1C[C@H]1[C@@H](C)[NH3+] ZINC000020392161 168920689 /nfs/dbraw/zinc/92/06/89/168920689.db2.gz VVWOPVXSKHOGOT-XBFCOCLRSA-N 1 0 233.355 3.316 10 0 BGAERO CC(C)([NH3+])COc1c(Cl)cccc1Cl ZINC000020398555 187419035 /nfs/dbraw/zinc/41/90/35/187419035.db2.gz FMAQOAYLSBKBGE-UHFFFAOYSA-N 1 0 234.126 3.110 10 0 BGAERO CC(C)([NH3+])COc1cc(Cl)cc(Cl)c1 ZINC000020398562 188108847 /nfs/dbraw/zinc/10/88/47/188108847.db2.gz HGEPMKWTQOAEJU-UHFFFAOYSA-N 1 0 234.126 3.110 10 0 BGAERO CC(C)([NH3+])COc1ccc(Cl)c(Cl)c1 ZINC000020398564 188108852 /nfs/dbraw/zinc/10/88/52/188108852.db2.gz KCSZPLRLFBMTAN-UHFFFAOYSA-N 1 0 234.126 3.110 10 0 BGAERO CC(C)(C[NH3+])Oc1ccc(-c2ccccc2)cc1 ZINC000020398666 187591089 /nfs/dbraw/zinc/59/10/89/187591089.db2.gz AWIGZUJHPSEFEC-UHFFFAOYSA-N 1 0 241.334 3.470 10 0 BGAERO Cc1cc(OC(C)(C)C[NH3+])cc(C)c1Cl ZINC000020398682 178206555 /nfs/dbraw/zinc/20/65/55/178206555.db2.gz FPARMKDWKBANJF-UHFFFAOYSA-N 1 0 227.735 3.073 10 0 BGAERO CC(C)(C[NH3+])Oc1c(Cl)cccc1Cl ZINC000020398684 188175958 /nfs/dbraw/zinc/17/59/58/188175958.db2.gz MSAZALNBLJADTA-UHFFFAOYSA-N 1 0 234.126 3.110 10 0 BGAERO CC(C)(C[NH3+])Oc1cccc(Cl)c1Cl ZINC000020398690 188108623 /nfs/dbraw/zinc/10/86/23/188108623.db2.gz UYWRWNVLLGFFOW-UHFFFAOYSA-N 1 0 234.126 3.110 10 0 BGAERO [NH3+]C1(CCOc2ccccc2)CCCCC1 ZINC000020398954 181331325 /nfs/dbraw/zinc/33/13/25/181331325.db2.gz YZWQVOGTAZXJGN-UHFFFAOYSA-N 1 0 219.328 3.117 10 0 BGAERO COc1ccccc1OCCC1([NH3+])CCCCC1 ZINC000020398979 175341111 /nfs/dbraw/zinc/34/11/11/175341111.db2.gz ZOXDIPBKXFXTPF-UHFFFAOYSA-N 1 0 249.354 3.126 10 0 BGAERO COc1ccc(OCCC2([NH3+])CCCCC2)cc1 ZINC000020398982 175171985 /nfs/dbraw/zinc/17/19/85/175171985.db2.gz DVEMCXDSVFWSTA-UHFFFAOYSA-N 1 0 249.354 3.126 10 0 BGAERO Clc1cc(Cl)cc(OC2CC[NH2+]CC2)c1 ZINC000020399701 343140163 /nfs/dbraw/zinc/14/01/63/343140163.db2.gz RIFRQJICTTVSPH-UHFFFAOYSA-N 1 0 246.137 3.124 10 0 BGAERO [NH3+][C@@H](Cc1nc2ccccc2o1)c1ccsc1 ZINC000020427557 181560224 /nfs/dbraw/zinc/56/02/24/181560224.db2.gz NDBCQIJHOYSOII-JTQLQIEISA-N 1 0 244.319 3.132 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000020428799 171372516 /nfs/dbraw/zinc/37/25/16/171372516.db2.gz JGMLTNBFPHJBSR-FZMZJTMJSA-N 1 0 228.339 3.151 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])Cc1ccc2ccccc2n1 ZINC000020428805 171396477 /nfs/dbraw/zinc/39/64/77/171396477.db2.gz JGMLTNBFPHJBSR-SMDDNHRTSA-N 1 0 228.339 3.151 10 0 BGAERO [NH3+][C@H](Cc1ccccn1)c1ccc2ccccc2c1 ZINC000020429015 181626931 /nfs/dbraw/zinc/62/69/31/181626931.db2.gz XQTCRXPFWVJAHO-QGZVFWFLSA-N 1 0 248.329 3.477 10 0 BGAERO C[C@@H]([NH3+])CCOc1ccccc1-c1ccccc1 ZINC000020429256 175805898 /nfs/dbraw/zinc/80/58/98/175805898.db2.gz HKQHSMMFJFJYKP-CYBMUJFWSA-N 1 0 241.334 3.470 10 0 BGAERO C[C@@H]([NH3+])CCOc1ccc(C(C)(C)C)cc1 ZINC000020429282 175805672 /nfs/dbraw/zinc/80/56/72/175805672.db2.gz HGVRXGZLOQCXMZ-LLVKDONJSA-N 1 0 221.344 3.100 10 0 BGAERO [NH3+]CC1(c2c(Cl)cccc2Cl)CCC1 ZINC000020429484 181361969 /nfs/dbraw/zinc/36/19/69/181361969.db2.gz YYWKSMGFLAGUTC-UHFFFAOYSA-N 1 0 230.138 3.374 10 0 BGAERO COc1ccc(C2(C[NH3+])CCCCCC2)cc1 ZINC000020429514 175084694 /nfs/dbraw/zinc/08/46/94/175084694.db2.gz PILJYXSTMHWXFA-UHFFFAOYSA-N 1 0 233.355 3.246 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2cc(C)sc2C)c1 ZINC000020431480 175288656 /nfs/dbraw/zinc/28/86/56/175288656.db2.gz JPRGIUITOXGOTF-CQSZACIVSA-N 1 0 247.363 3.422 10 0 BGAERO COc1cccc([C@H]([NH3+])c2cc(C)sc2C)c1 ZINC000020431481 175295062 /nfs/dbraw/zinc/29/50/62/175295062.db2.gz JPRGIUITOXGOTF-AWEZNQCLSA-N 1 0 247.363 3.422 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1cc(C)sc1C ZINC000020431490 175347056 /nfs/dbraw/zinc/34/70/56/175347056.db2.gz VHHYFHWCYSMJBA-CQSZACIVSA-N 1 0 247.363 3.422 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1cc(C)sc1C ZINC000020431491 175353165 /nfs/dbraw/zinc/35/31/65/175353165.db2.gz VHHYFHWCYSMJBA-AWEZNQCLSA-N 1 0 247.363 3.422 10 0 BGAERO Cc1cc([C@@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c(C)o1 ZINC000020439514 178232921 /nfs/dbraw/zinc/23/29/21/178232921.db2.gz PJDZAGWLECFAEK-GYSYKLTISA-N 1 0 237.343 3.115 10 0 BGAERO Cc1cc([C@@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c(C)o1 ZINC000020439518 178230259 /nfs/dbraw/zinc/23/02/59/178230259.db2.gz PJDZAGWLECFAEK-SUNKGSAMSA-N 1 0 237.343 3.115 10 0 BGAERO CC(C)CC[NH2+][C@@H](C)c1ccc(N)c(F)c1 ZINC000020468537 397965625 /nfs/dbraw/zinc/96/56/25/397965625.db2.gz BGARKCGBTFRYBB-JTQLQIEISA-N 1 0 224.323 3.105 10 0 BGAERO CC(C)CC[NH2+][C@H](C)c1ccc(N)c(F)c1 ZINC000020468539 397965655 /nfs/dbraw/zinc/96/56/55/397965655.db2.gz BGARKCGBTFRYBB-SNVBAGLBSA-N 1 0 224.323 3.105 10 0 BGAERO CC(C)CC[NH2+][C@@H](C)c1ccc(O)c(F)c1 ZINC000020468557 166863127 /nfs/dbraw/zinc/86/31/27/166863127.db2.gz QXANUVSGUQHWID-JTQLQIEISA-N 1 0 225.307 3.228 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccccc1F ZINC000020470519 175132196 /nfs/dbraw/zinc/13/21/96/175132196.db2.gz XXABYJICDAHUSV-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccccc1F ZINC000020470520 175134572 /nfs/dbraw/zinc/13/45/72/175134572.db2.gz XXABYJICDAHUSV-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1cccc(F)c1 ZINC000020470527 175132271 /nfs/dbraw/zinc/13/22/71/175132271.db2.gz FMOCAXHTHMQBFU-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])c1cccc(F)c1 ZINC000020470528 175134435 /nfs/dbraw/zinc/13/44/35/175134435.db2.gz FMOCAXHTHMQBFU-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1cccc(C)c1 ZINC000020470539 175132708 /nfs/dbraw/zinc/13/27/08/175132708.db2.gz SKNTZTFVPXWOOJ-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])c1cccc(C)c1 ZINC000020470540 175134346 /nfs/dbraw/zinc/13/43/46/175134346.db2.gz SKNTZTFVPXWOOJ-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000020470555 175132039 /nfs/dbraw/zinc/13/20/39/175132039.db2.gz WPUSJDRHPXYLJA-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccc(F)cc1 ZINC000020470556 175134693 /nfs/dbraw/zinc/13/46/93/175134693.db2.gz WPUSJDRHPXYLJA-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])c1ccc(C)cc1 ZINC000020470581 175131845 /nfs/dbraw/zinc/13/18/45/175131845.db2.gz UEZSUMRYNYLZSW-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])c1ccc(C)cc1 ZINC000020470582 175134479 /nfs/dbraw/zinc/13/44/79/175134479.db2.gz UEZSUMRYNYLZSW-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])Cc1ccccc1 ZINC000020470603 175132343 /nfs/dbraw/zinc/13/23/43/175132343.db2.gz MZMBLGYSMPQWAJ-AWEZNQCLSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])Cc1ccccc1 ZINC000020470604 175134322 /nfs/dbraw/zinc/13/43/22/175134322.db2.gz MZMBLGYSMPQWAJ-CQSZACIVSA-N 1 0 245.297 3.077 10 0 BGAERO Cc1cc(C[NH3+])cc(C)c1OCCC(C)C ZINC000020470769 177982207 /nfs/dbraw/zinc/98/22/07/177982207.db2.gz KHUGYPGKYVWEKB-UHFFFAOYSA-N 1 0 221.344 3.187 10 0 BGAERO [NH2+]=C1c2ccccc2CN1Cc1cccc(F)c1 ZINC000020473680 181207768 /nfs/dbraw/zinc/20/77/68/181207768.db2.gz ISSBLZKUODKWOB-UHFFFAOYSA-N 1 0 240.281 3.167 10 0 BGAERO C[C@@H]1C[C@@H](Oc2ccc(C[NH3+])cn2)CC(C)(C)C1 ZINC000020506822 176383710 /nfs/dbraw/zinc/38/37/10/176383710.db2.gz XKYGXAGRZYVODX-DGCLKSJQSA-N 1 0 248.370 3.134 10 0 BGAERO C[C@H]1C[C@@H](Oc2ccc(C[NH3+])cn2)CC(C)(C)C1 ZINC000020506824 177338463 /nfs/dbraw/zinc/33/84/63/177338463.db2.gz XKYGXAGRZYVODX-WCQYABFASA-N 1 0 248.370 3.134 10 0 BGAERO C[C@H]1C[C@H](Oc2ccc(C[NH3+])cn2)CC(C)(C)C1 ZINC000020506826 177374487 /nfs/dbraw/zinc/37/44/87/177374487.db2.gz XKYGXAGRZYVODX-AAEUAGOBSA-N 1 0 248.370 3.134 10 0 BGAERO C[C@@H]1CCC[C@@H](Oc2ccccc2C[NH3+])C1 ZINC000020506879 176124956 /nfs/dbraw/zinc/12/49/56/176124956.db2.gz NZZXDMYIRNNZTR-DGCLKSJQSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCC[C@@H](Oc2ccccc2C[NH3+])C1 ZINC000020506881 177123478 /nfs/dbraw/zinc/12/34/78/177123478.db2.gz NZZXDMYIRNNZTR-WCQYABFASA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H]1CCC[C@H](Oc2ccccc2C[NH3+])C1 ZINC000020506883 176145938 /nfs/dbraw/zinc/14/59/38/176145938.db2.gz NZZXDMYIRNNZTR-YPMHNXCESA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCC[C@H](Oc2ccccc2C[NH3+])C1 ZINC000020506885 177138867 /nfs/dbraw/zinc/13/88/67/177138867.db2.gz NZZXDMYIRNNZTR-AAEUAGOBSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H]1CCC[C@@H](Oc2ccc(C[NH3+])cc2)C1 ZINC000020506887 176124946 /nfs/dbraw/zinc/12/49/46/176124946.db2.gz ZOVGBEJKJOIVKX-BXUZGUMPSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCC[C@@H](Oc2ccc(C[NH3+])cc2)C1 ZINC000020506889 177123703 /nfs/dbraw/zinc/12/37/03/177123703.db2.gz ZOVGBEJKJOIVKX-SMDDNHRTSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H]1CCC[C@H](Oc2ccc(C[NH3+])cc2)C1 ZINC000020506891 176146139 /nfs/dbraw/zinc/14/61/39/176146139.db2.gz ZOVGBEJKJOIVKX-RISCZKNCSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCC[C@H](Oc2ccc(C[NH3+])cc2)C1 ZINC000020506893 177138076 /nfs/dbraw/zinc/13/80/76/177138076.db2.gz ZOVGBEJKJOIVKX-FZMZJTMJSA-N 1 0 219.328 3.103 10 0 BGAERO CC(C)(C)O[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000020510790 188108478 /nfs/dbraw/zinc/10/84/78/188108478.db2.gz WCZPESFIBLUVQO-SOUVJXGZSA-N 1 0 247.382 3.465 10 0 BGAERO CC(C)(C)O[C@H]1C[C@@H](c2ccccc2)CC[C@@H]1[NH3+] ZINC000020510792 188007130 /nfs/dbraw/zinc/00/71/30/188007130.db2.gz WCZPESFIBLUVQO-KKUMJFAQSA-N 1 0 247.382 3.465 10 0 BGAERO Cc1ccc([C@H]([NH3+])COCCCC(C)C)cc1 ZINC000020511561 178907251 /nfs/dbraw/zinc/90/72/51/178907251.db2.gz GKRUDFBIUXKDKF-OAHLLOKOSA-N 1 0 235.371 3.448 10 0 BGAERO C[C@H]([NH3+])c1c(F)cccc1OC(C)(C)C ZINC000020517028 176774661 /nfs/dbraw/zinc/77/46/61/176774661.db2.gz BEXMBONZITYLTE-QMMMGPOBSA-N 1 0 211.280 3.023 10 0 BGAERO C[C@@H]([NH3+])c1ccc(OC(C)(C)C)c(F)c1 ZINC000020517033 175817457 /nfs/dbraw/zinc/81/74/57/175817457.db2.gz AEOULAMCJBPAJT-MRVPVSSYSA-N 1 0 211.280 3.023 10 0 BGAERO CCC(C)(C)Oc1ccc([C@@H](C)[NH3+])cc1 ZINC000020517065 168304330 /nfs/dbraw/zinc/30/43/30/168304330.db2.gz JLOGJRZPYCLTOS-SNVBAGLBSA-N 1 0 207.317 3.274 10 0 BGAERO CCC(C)(C)Oc1ccc([C@H](C)[NH3+])cc1 ZINC000020517066 168304035 /nfs/dbraw/zinc/30/40/35/168304035.db2.gz JLOGJRZPYCLTOS-JTQLQIEISA-N 1 0 207.317 3.274 10 0 BGAERO CCC(C)(C)Oc1ccccc1[C@@H](C)[NH3+] ZINC000020517071 168303818 /nfs/dbraw/zinc/30/38/18/168303818.db2.gz ZNDWULDZJAMGJD-SNVBAGLBSA-N 1 0 207.317 3.274 10 0 BGAERO CCC(C)(C)Oc1ccccc1[C@H](C)[NH3+] ZINC000020517072 168304816 /nfs/dbraw/zinc/30/48/16/168304816.db2.gz ZNDWULDZJAMGJD-JTQLQIEISA-N 1 0 207.317 3.274 10 0 BGAERO CCCCCCN(CCC(N)=[NH2+])c1ccccc1 ZINC000020519791 168658864 /nfs/dbraw/zinc/65/88/64/168658864.db2.gz NGOVRUAKJBDBPL-UHFFFAOYSA-N 1 0 247.386 3.399 10 0 BGAERO CCCCCCOc1ccc(CC(N)=[NH2+])cc1 ZINC000020519795 168671826 /nfs/dbraw/zinc/67/18/26/168671826.db2.gz PYMIDRJBXDOGKN-UHFFFAOYSA-N 1 0 234.343 3.124 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000020521852 175180180 /nfs/dbraw/zinc/18/01/80/175180180.db2.gz XTVSKJHYCUIQGI-AWEZNQCLSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2)cc1Cl ZINC000020521853 175192579 /nfs/dbraw/zinc/19/25/79/175192579.db2.gz XTVSKJHYCUIQGI-CQSZACIVSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC(C)C)cc1Cl ZINC000020521858 175179483 /nfs/dbraw/zinc/17/94/83/175179483.db2.gz PLEHPKCIZSUIPG-NSHDSACASA-N 1 0 227.735 3.395 10 0 BGAERO COc1ccc([C@H]([NH3+])CC(C)C)cc1Cl ZINC000020521859 175192077 /nfs/dbraw/zinc/19/20/77/175192077.db2.gz PLEHPKCIZSUIPG-LLVKDONJSA-N 1 0 227.735 3.395 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@H](C)C(C)C)c(C)s1 ZINC000020522489 180051299 /nfs/dbraw/zinc/05/12/99/180051299.db2.gz PBZQZRKURKIHQH-BDAKNGLRSA-N 1 0 226.389 3.455 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@@H](C)C(C)C)c(C)s1 ZINC000020522491 180051649 /nfs/dbraw/zinc/05/16/49/180051649.db2.gz PBZQZRKURKIHQH-IUCAKERBSA-N 1 0 226.389 3.455 10 0 BGAERO Cc1nc([C@@H](C)[NH2+][C@H](C)C(C)C)c(C)s1 ZINC000020522493 180038227 /nfs/dbraw/zinc/03/82/27/180038227.db2.gz PBZQZRKURKIHQH-RKDXNWHRSA-N 1 0 226.389 3.455 10 0 BGAERO Cc1nc([C@@H](C)[NH2+][C@@H](C)C(C)C)c(C)s1 ZINC000020522495 180036767 /nfs/dbraw/zinc/03/67/67/180036767.db2.gz PBZQZRKURKIHQH-DTWKUNHWSA-N 1 0 226.389 3.455 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000020522837 167383734 /nfs/dbraw/zinc/38/37/34/167383734.db2.gz VYWYCCVXOKWACL-NEPJUHHUSA-N 1 0 245.370 3.268 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2n1C ZINC000020522839 342989349 /nfs/dbraw/zinc/98/93/49/342989349.db2.gz VYWYCCVXOKWACL-RYUDHWBXSA-N 1 0 245.370 3.268 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000020522841 167385383 /nfs/dbraw/zinc/38/53/83/167385383.db2.gz VYWYCCVXOKWACL-VXGBXAGGSA-N 1 0 245.370 3.268 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](C)c1nc2ccccc2n1C ZINC000020522843 384620372 /nfs/dbraw/zinc/62/03/72/384620372.db2.gz VYWYCCVXOKWACL-NWDGAFQWSA-N 1 0 245.370 3.268 10 0 BGAERO COC(C)(C)C[C@@H](C)[NH2+]CCc1ccccc1 ZINC000020524379 584883328 /nfs/dbraw/zinc/88/33/28/584883328.db2.gz VJABWADZABHRKE-CYBMUJFWSA-N 1 0 235.371 3.022 10 0 BGAERO COC(C)(C)C[C@H](C)[NH2+]CCc1ccccc1 ZINC000020524380 584883321 /nfs/dbraw/zinc/88/33/21/584883321.db2.gz VJABWADZABHRKE-ZDUSSCGKSA-N 1 0 235.371 3.022 10 0 BGAERO CCCCCC[NH2+][C@@H](C)CC(C)(C)OC ZINC000020524657 342989862 /nfs/dbraw/zinc/98/98/62/342989862.db2.gz PPGJKYFNSRHUSU-LBPRGKRZSA-N 1 0 215.381 3.360 10 0 BGAERO CCCCCC[NH2+][C@H](C)CC(C)(C)OC ZINC000020524658 342989940 /nfs/dbraw/zinc/98/99/40/342989940.db2.gz PPGJKYFNSRHUSU-GFCCVEGCSA-N 1 0 215.381 3.360 10 0 BGAERO Cc1cc(OCCC[NH2+]C2CC2)ccc1Cl ZINC000020524855 178211101 /nfs/dbraw/zinc/21/11/01/178211101.db2.gz ZMAQSZFFBFXRNE-UHFFFAOYSA-N 1 0 239.746 3.169 10 0 BGAERO Cc1cc(OCCC[NH2+]C(C)C)ccc1Cl ZINC000020524856 178211207 /nfs/dbraw/zinc/21/12/07/178211207.db2.gz RCKMASDDFJOFNZ-UHFFFAOYSA-N 1 0 241.762 3.415 10 0 BGAERO CCC[NH2+]CCCOc1ccc(Cl)c(C)c1 ZINC000020524857 169256753 /nfs/dbraw/zinc/25/67/53/169256753.db2.gz AQTMFBSFTMCUHI-UHFFFAOYSA-N 1 0 241.762 3.417 10 0 BGAERO CC[NH2+]CCCOc1ccc(Cl)c(C)c1 ZINC000020524858 170112455 /nfs/dbraw/zinc/11/24/55/170112455.db2.gz ZQGFIBXIEAGOCP-UHFFFAOYSA-N 1 0 227.735 3.027 10 0 BGAERO Cc1cc(OCC[NH2+]C(C)C)ccc1Cl ZINC000020524860 178211328 /nfs/dbraw/zinc/21/13/28/178211328.db2.gz GWMSCYUUSZWOGA-UHFFFAOYSA-N 1 0 227.735 3.025 10 0 BGAERO CCC[NH2+]CCOc1ccc(Cl)c(C)c1 ZINC000020524861 169260555 /nfs/dbraw/zinc/26/05/55/169260555.db2.gz AVBKFFOJBLQEEQ-UHFFFAOYSA-N 1 0 227.735 3.027 10 0 BGAERO CC[NH2+]CCOc1cc(C)ccc1C(C)(C)C ZINC000020524884 170116396 /nfs/dbraw/zinc/11/63/96/170116396.db2.gz DKGZQDIQQHVRRT-UHFFFAOYSA-N 1 0 235.371 3.281 10 0 BGAERO CCc1cccc(OCCC[NH2+]C(C)C)c1 ZINC000020524966 171864445 /nfs/dbraw/zinc/86/44/45/171864445.db2.gz HDAQDFBKDHALRJ-UHFFFAOYSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+]CCCOc1cccc(CC)c1 ZINC000020524967 169257612 /nfs/dbraw/zinc/25/76/12/169257612.db2.gz QISWQQKCXISFET-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CCC[NH2+]CCCOc1c(C)cccc1C ZINC000020525030 169256919 /nfs/dbraw/zinc/25/69/19/169256919.db2.gz BOZDAXDOBZUOCD-UHFFFAOYSA-N 1 0 221.344 3.072 10 0 BGAERO CC[NH2+]CCCOc1ccccc1C(C)(C)C ZINC000020525040 170112937 /nfs/dbraw/zinc/11/29/37/170112937.db2.gz OFRIWALEKTZGAG-UHFFFAOYSA-N 1 0 235.371 3.363 10 0 BGAERO CC(C)(C)c1ccccc1OCC[NH2+]C1CC1 ZINC000020525041 187418498 /nfs/dbraw/zinc/41/84/98/187418498.db2.gz TUXVTORGYCEWCD-UHFFFAOYSA-N 1 0 233.355 3.115 10 0 BGAERO CCC[NH2+]CCOc1ccccc1C(C)(C)C ZINC000020525043 169260314 /nfs/dbraw/zinc/26/03/14/169260314.db2.gz AGHIVTRPLNVTGN-UHFFFAOYSA-N 1 0 235.371 3.363 10 0 BGAERO CC[NH2+]CCCOc1cc(Cl)ccc1Cl ZINC000020525062 170112981 /nfs/dbraw/zinc/11/29/81/170112981.db2.gz IOVUDDWDBOTDQG-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CCC[NH2+]CCCOc1ccc(C)cc1C ZINC000020525080 169257512 /nfs/dbraw/zinc/25/75/12/169257512.db2.gz POOJNLKFDNUKIV-UHFFFAOYSA-N 1 0 221.344 3.072 10 0 BGAERO CC(C)c1ccc(OCCC[NH2+]C2CC2)cc1 ZINC000020525084 167609108 /nfs/dbraw/zinc/60/91/08/167609108.db2.gz SZLJIZMAXFUIQN-UHFFFAOYSA-N 1 0 233.355 3.331 10 0 BGAERO CC[NH2+]CCCOc1ccc(C(C)C)cc1 ZINC000020525087 170113082 /nfs/dbraw/zinc/11/30/82/170113082.db2.gz BPPWQUNVPISBMP-UHFFFAOYSA-N 1 0 221.344 3.188 10 0 BGAERO CCC[NH2+]CCOc1ccc(C(C)C)cc1 ZINC000020525090 169260507 /nfs/dbraw/zinc/26/05/07/169260507.db2.gz QQWYFGKSUQHSED-UHFFFAOYSA-N 1 0 221.344 3.188 10 0 BGAERO CC[NH2+]CCCOc1cccc(C(C)C)c1 ZINC000020525104 170112558 /nfs/dbraw/zinc/11/25/58/170112558.db2.gz ZQMDBNQBYZNMCN-UHFFFAOYSA-N 1 0 221.344 3.188 10 0 BGAERO CC(C)[NH2+]CCOc1cccc(C(C)C)c1 ZINC000020525106 167108458 /nfs/dbraw/zinc/10/84/58/167108458.db2.gz REDWQBKHMDFDLC-UHFFFAOYSA-N 1 0 221.344 3.187 10 0 BGAERO CCC[NH2+]CCOc1cccc(C(C)C)c1 ZINC000020525107 169260686 /nfs/dbraw/zinc/26/06/86/169260686.db2.gz KHWAIXLOULCWFK-UHFFFAOYSA-N 1 0 221.344 3.188 10 0 BGAERO CCC[NH2+]CCCOc1cccc(C)c1C ZINC000020525137 169256324 /nfs/dbraw/zinc/25/63/24/169256324.db2.gz KLFFJVYDVOQOHH-UHFFFAOYSA-N 1 0 221.344 3.072 10 0 BGAERO CCc1ccc(OCCC[NH2+]C(C)C)cc1 ZINC000020525150 188108745 /nfs/dbraw/zinc/10/87/45/188108745.db2.gz PFOTYVOFNHNLQC-UHFFFAOYSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+]CCCOc1ccc(CC)cc1 ZINC000020525151 169257043 /nfs/dbraw/zinc/25/70/43/169257043.db2.gz CZIHSNWTBFZGOY-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CC[NH2+]CCCOc1cc(C)ccc1C(C)C ZINC000020525159 170112623 /nfs/dbraw/zinc/11/26/23/170112623.db2.gz VQAOVGZWHADAIU-UHFFFAOYSA-N 1 0 235.371 3.497 10 0 BGAERO CCC[NH2+]CCOc1cc(C)ccc1C(C)C ZINC000020525162 169260606 /nfs/dbraw/zinc/26/06/06/169260606.db2.gz LDVHEICGHNSKSD-UHFFFAOYSA-N 1 0 235.371 3.497 10 0 BGAERO CC[NH2+]CCCOc1ccc(C(C)C)c(C)c1 ZINC000020525166 170112569 /nfs/dbraw/zinc/11/25/69/170112569.db2.gz NUXSZJUTJMUHAX-UHFFFAOYSA-N 1 0 235.371 3.497 10 0 BGAERO CC(C)[NH2+]CCCOc1ccccc1Cl ZINC000020525176 167102128 /nfs/dbraw/zinc/10/21/28/167102128.db2.gz IBXSDVJJKSJHOQ-UHFFFAOYSA-N 1 0 227.735 3.107 10 0 BGAERO CCC[NH2+]CCCOc1ccccc1Cl ZINC000020525177 169257302 /nfs/dbraw/zinc/25/73/02/169257302.db2.gz ANEHAHWNRVKRKQ-UHFFFAOYSA-N 1 0 227.735 3.109 10 0 BGAERO CC[NH2+]CCOc1ccc(C(C)(C)CC)cc1 ZINC000020525186 170116394 /nfs/dbraw/zinc/11/63/94/170116394.db2.gz CMSDFEAVJUQWJW-UHFFFAOYSA-N 1 0 235.371 3.363 10 0 BGAERO Cc1ccc(OCCC[NH2+]C(C)C)cc1C ZINC000020525192 187254440 /nfs/dbraw/zinc/25/44/40/187254440.db2.gz DHMLMTNMKHRNMR-UHFFFAOYSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+]CCCOc1ccc(C)c(C)c1 ZINC000020525193 169257715 /nfs/dbraw/zinc/25/77/15/169257715.db2.gz DYOHYNQOCYEBGK-UHFFFAOYSA-N 1 0 221.344 3.072 10 0 BGAERO CC(C)[NH2+]CCCOc1cccc(Cl)c1 ZINC000020525220 167102176 /nfs/dbraw/zinc/10/21/76/167102176.db2.gz JKWIPGVSFMKGMY-UHFFFAOYSA-N 1 0 227.735 3.107 10 0 BGAERO CCC[NH2+]CCCOc1cccc(Cl)c1 ZINC000020525221 169257022 /nfs/dbraw/zinc/25/70/22/169257022.db2.gz SGKHPRRUGSLJSY-UHFFFAOYSA-N 1 0 227.735 3.109 10 0 BGAERO CC[NH2+]CCCOc1ccc(Cl)cc1Cl ZINC000020525233 170112666 /nfs/dbraw/zinc/11/26/66/170112666.db2.gz HFNPUZMHBLOCLC-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CC[NH2+]CCCOc1cccc2ccccc21 ZINC000020525250 170112744 /nfs/dbraw/zinc/11/27/44/170112744.db2.gz ZLTSDKWJKYENNG-UHFFFAOYSA-N 1 0 229.323 3.218 10 0 BGAERO CC[NH2+]CCCOc1ccc2ccccc2c1 ZINC000020525273 170112725 /nfs/dbraw/zinc/11/27/25/170112725.db2.gz ZDZKGSSTXFOWJU-UHFFFAOYSA-N 1 0 229.323 3.218 10 0 BGAERO CCC[NH2+]CCOc1ccc2ccccc2c1 ZINC000020525275 169260429 /nfs/dbraw/zinc/26/04/29/169260429.db2.gz BEZVJVPSZAEPNM-UHFFFAOYSA-N 1 0 229.323 3.218 10 0 BGAERO Cc1cc(Cl)ccc1OCCC[NH2+]C1CC1 ZINC000020525276 178069158 /nfs/dbraw/zinc/06/91/58/178069158.db2.gz XGBMQFNZEYPBMF-UHFFFAOYSA-N 1 0 239.746 3.169 10 0 BGAERO CCC[NH2+]CCCOc1ccc(Cl)cc1C ZINC000020525278 169257498 /nfs/dbraw/zinc/25/74/98/169257498.db2.gz ILYLMMXLXSXOEU-UHFFFAOYSA-N 1 0 241.762 3.417 10 0 BGAERO CC[NH2+]CCCOc1ccc(Cl)cc1C ZINC000020525279 170112267 /nfs/dbraw/zinc/11/22/67/170112267.db2.gz JGNNDQFXWBFNCM-UHFFFAOYSA-N 1 0 227.735 3.027 10 0 BGAERO Cc1cc(Cl)ccc1OCC[NH2+]C(C)C ZINC000020525281 178068441 /nfs/dbraw/zinc/06/84/41/178068441.db2.gz IBEOYDZXYWUELK-UHFFFAOYSA-N 1 0 227.735 3.025 10 0 BGAERO CCC[NH2+]CCOc1ccc(Cl)cc1C ZINC000020525282 169260481 /nfs/dbraw/zinc/26/04/81/169260481.db2.gz WCRXXVWZYUEOND-UHFFFAOYSA-N 1 0 227.735 3.027 10 0 BGAERO CC[NH2+]CCCOc1ccccc1C(C)C ZINC000020525296 170112706 /nfs/dbraw/zinc/11/27/06/170112706.db2.gz ROWXTSJFSWHLHY-UHFFFAOYSA-N 1 0 221.344 3.188 10 0 BGAERO CC[NH2+]CCCOc1ccccc1C(F)(F)F ZINC000020525321 170112332 /nfs/dbraw/zinc/11/23/32/170112332.db2.gz YURNYVXUQYWMHO-UHFFFAOYSA-N 1 0 247.260 3.084 10 0 BGAERO CC[NH2+]CCCOc1cccc(Cl)c1Cl ZINC000020525432 170112688 /nfs/dbraw/zinc/11/26/88/170112688.db2.gz ZCKZBXLDPCVHML-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CCC[NH2+]CCOc1cccc(Cl)c1Cl ZINC000020525435 169260138 /nfs/dbraw/zinc/26/01/38/169260138.db2.gz ASVQQHQONIAPOF-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CC(C)Oc1ccc([C@@H](C)[NH2+]C2CC2)cc1F ZINC000020549936 167299502 /nfs/dbraw/zinc/29/95/02/167299502.db2.gz ULPQHTVSENYACO-SNVBAGLBSA-N 1 0 237.318 3.426 10 0 BGAERO CC(C)Oc1ccc([C@H](C)[NH2+]C2CC2)cc1F ZINC000020549937 167301141 /nfs/dbraw/zinc/30/11/41/167301141.db2.gz ULPQHTVSENYACO-JTQLQIEISA-N 1 0 237.318 3.426 10 0 BGAERO C[C@@H]([NH2+]C1CCCC1)c1ccc(N)c(F)c1 ZINC000020550847 397966574 /nfs/dbraw/zinc/96/65/74/397966574.db2.gz GQEFGWPZDKTNDD-SECBINFHSA-N 1 0 222.307 3.001 10 0 BGAERO C[C@H]([NH2+]C1CCCC1)c1ccc(N)c(F)c1 ZINC000020550849 397966730 /nfs/dbraw/zinc/96/67/30/397966730.db2.gz GQEFGWPZDKTNDD-VIFPVBQESA-N 1 0 222.307 3.001 10 0 BGAERO C[C@@H]([NH2+]C1CCCCC1)c1ccc(N)c(F)c1 ZINC000020550851 397966725 /nfs/dbraw/zinc/96/67/25/397966725.db2.gz ZDGGFISSRAMPQG-SNVBAGLBSA-N 1 0 236.334 3.391 10 0 BGAERO C[C@H]([NH2+]C1CCCCC1)c1ccc(N)c(F)c1 ZINC000020550853 397966498 /nfs/dbraw/zinc/96/64/98/397966498.db2.gz ZDGGFISSRAMPQG-JTQLQIEISA-N 1 0 236.334 3.391 10 0 BGAERO C[C@@H]([NH2+]C1CCCC1)c1ccc(O)c(F)c1 ZINC000020551061 397966771 /nfs/dbraw/zinc/96/67/71/397966771.db2.gz OTXXWTOZDIDVPA-SECBINFHSA-N 1 0 223.291 3.125 10 0 BGAERO C[C@H]([NH2+]C1CCCC1)c1ccc(O)c(F)c1 ZINC000020551063 397966776 /nfs/dbraw/zinc/96/67/76/397966776.db2.gz OTXXWTOZDIDVPA-VIFPVBQESA-N 1 0 223.291 3.125 10 0 BGAERO C[C@@H]([NH2+]Cc1ccccc1)c1ccc(O)c(F)c1 ZINC000020551092 397966680 /nfs/dbraw/zinc/96/66/80/397966680.db2.gz LKIULWDQMQYXAX-LLVKDONJSA-N 1 0 245.297 3.382 10 0 BGAERO C[C@H]([NH2+]Cc1ccccc1)c1ccc(O)c(F)c1 ZINC000020551094 397966538 /nfs/dbraw/zinc/96/65/38/397966538.db2.gz LKIULWDQMQYXAX-NSHDSACASA-N 1 0 245.297 3.382 10 0 BGAERO Cc1ccc2c(c1)CCCN2[C@@H]1CCCC[C@@H]1[NH3+] ZINC000020552997 132331796 /nfs/dbraw/zinc/33/17/96/132331796.db2.gz MFIOIBNGGSSIOV-GOEBONIOSA-N 1 0 244.382 3.018 10 0 BGAERO Cc1ccc2c(c1)CCCN2[C@H]1CCCC[C@@H]1[NH3+] ZINC000020552998 132331815 /nfs/dbraw/zinc/33/18/15/132331815.db2.gz MFIOIBNGGSSIOV-HOCLYGCPSA-N 1 0 244.382 3.018 10 0 BGAERO Cc1ccc(O[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000020554258 178819103 /nfs/dbraw/zinc/81/91/03/178819103.db2.gz QVEXIYBIIMNNNB-GJZGRUSLSA-N 1 0 233.355 3.424 10 0 BGAERO CCCCC[NH2+][C@@H](C)c1ccc(N)c(F)c1 ZINC000020582588 342991915 /nfs/dbraw/zinc/99/19/15/342991915.db2.gz IKRAIKQCCXCFRN-JTQLQIEISA-N 1 0 224.323 3.249 10 0 BGAERO CCCCC[NH2+][C@H](C)c1ccc(N)c(F)c1 ZINC000020582591 342991862 /nfs/dbraw/zinc/99/18/62/342991862.db2.gz IKRAIKQCCXCFRN-SNVBAGLBSA-N 1 0 224.323 3.249 10 0 BGAERO CCCCC[NH2+][C@@H](C)c1ccc(O)c(F)c1 ZINC000020582643 342991654 /nfs/dbraw/zinc/99/16/54/342991654.db2.gz AXJNVCUIGDLVOE-JTQLQIEISA-N 1 0 225.307 3.372 10 0 BGAERO CCCCC[NH2+][C@H](C)c1ccc(O)c(F)c1 ZINC000020582647 342991799 /nfs/dbraw/zinc/99/17/99/342991799.db2.gz AXJNVCUIGDLVOE-SNVBAGLBSA-N 1 0 225.307 3.372 10 0 BGAERO Cc1ccc(Nc2cc[nH+]cc2N)cc1Cl ZINC000020584673 363207420 /nfs/dbraw/zinc/20/74/20/363207420.db2.gz WMZGNYNELYTZSI-UHFFFAOYSA-N 1 0 233.702 3.369 10 0 BGAERO COc1ccc(Nc2cc[nH+]cc2N)cc1Cl ZINC000020584803 175156595 /nfs/dbraw/zinc/15/65/95/175156595.db2.gz LXQNZDXIVBHUCB-UHFFFAOYSA-N 1 0 249.701 3.069 10 0 BGAERO Cc1c(Cl)cccc1Nc1cc[nH+]cc1N ZINC000020584939 346786336 /nfs/dbraw/zinc/78/63/36/346786336.db2.gz BWCVSUOVYWNJON-UHFFFAOYSA-N 1 0 233.702 3.369 10 0 BGAERO COc1ccc(Cl)cc1Nc1cc[nH+]cc1N ZINC000020585377 175121927 /nfs/dbraw/zinc/12/19/27/175121927.db2.gz BIAJCAWJODEYRD-UHFFFAOYSA-N 1 0 249.701 3.069 10 0 BGAERO Cc1ccc(C)c(Nc2cc[nH+]cc2N)c1 ZINC000020585465 388682763 /nfs/dbraw/zinc/68/27/63/388682763.db2.gz LPLRDOKRHDZXNA-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Cc1ccc(Nc2cc[nH+]cc2N)c(C)c1 ZINC000020585475 363207740 /nfs/dbraw/zinc/20/77/40/363207740.db2.gz XIOMQHIWOHWYFF-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Nc1c[nH+]ccc1Nc1cccc(Cl)c1 ZINC000020585486 363207197 /nfs/dbraw/zinc/20/71/97/363207197.db2.gz VWMQXUBZNIHWCP-UHFFFAOYSA-N 1 0 219.675 3.061 10 0 BGAERO Nc1c[nH+]ccc1Nc1ccc(Cl)cc1 ZINC000020585501 363207766 /nfs/dbraw/zinc/20/77/66/363207766.db2.gz XRAFEHOMXJJZQA-UHFFFAOYSA-N 1 0 219.675 3.061 10 0 BGAERO Nc1c[nH+]ccc1Nc1ccccc1Cl ZINC000020585570 363207788 /nfs/dbraw/zinc/20/77/88/363207788.db2.gz GMHRNHXBFHFMBH-UHFFFAOYSA-N 1 0 219.675 3.061 10 0 BGAERO Cc1cc(C)cc(Nc2cc[nH+]cc2N)c1 ZINC000020585609 363207918 /nfs/dbraw/zinc/20/79/18/363207918.db2.gz ORDOWTXBIJRUHV-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Cc1cccc(Nc2cc[nH+]cc2N)c1C ZINC000020585731 179159059 /nfs/dbraw/zinc/15/90/59/179159059.db2.gz ALWRGRKETPENCB-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Cc1ccc(Nc2cc[nH+]cc2N)cc1C ZINC000020585764 346786180 /nfs/dbraw/zinc/78/61/80/346786180.db2.gz CYTUSMMFAFTTLV-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Cc1ccc(Cl)cc1Nc1cc[nH+]cc1N ZINC000020585822 346786158 /nfs/dbraw/zinc/78/61/58/346786158.db2.gz HXJMHTOUPBOIJF-UHFFFAOYSA-N 1 0 233.702 3.369 10 0 BGAERO Nc1c[nH+]ccc1Nc1ccc(F)c(Cl)c1 ZINC000020585833 346786458 /nfs/dbraw/zinc/78/64/58/346786458.db2.gz WEYQRSSVELVTNG-UHFFFAOYSA-N 1 0 237.665 3.200 10 0 BGAERO C[C@@H]1CCCC[C@@H]1n1c(N)[nH+]c2ccccc21 ZINC000020586106 176083438 /nfs/dbraw/zinc/08/34/38/176083438.db2.gz QXHVSYILMOCXMX-PWSUYJOCSA-N 1 0 229.327 3.370 10 0 BGAERO C[C@H]1CCCC[C@@H]1n1c(N)[nH+]c2ccccc21 ZINC000020586107 177084479 /nfs/dbraw/zinc/08/44/79/177084479.db2.gz QXHVSYILMOCXMX-JQWIXIFHSA-N 1 0 229.327 3.370 10 0 BGAERO C[C@@H]1CCCC[C@H]1n1c(N)[nH+]c2ccccc21 ZINC000020586108 176090138 /nfs/dbraw/zinc/09/01/38/176090138.db2.gz QXHVSYILMOCXMX-ZYHUDNBSSA-N 1 0 229.327 3.370 10 0 BGAERO C[C@H]1CCCC[C@H]1n1c(N)[nH+]c2ccccc21 ZINC000020586109 177090329 /nfs/dbraw/zinc/09/03/29/177090329.db2.gz QXHVSYILMOCXMX-CMPLNLGQSA-N 1 0 229.327 3.370 10 0 BGAERO Cc1ccc(-n2c(N)[nH+]c3ccccc32)c(C)c1 ZINC000020586161 178345853 /nfs/dbraw/zinc/34/58/53/178345853.db2.gz QBJIVSVDXVQYEZ-UHFFFAOYSA-N 1 0 237.306 3.225 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020587244 175288414 /nfs/dbraw/zinc/28/84/14/175288414.db2.gz CGKMXZGCRBQHEY-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(C)c(C)c2)c1 ZINC000020587246 175295291 /nfs/dbraw/zinc/29/52/91/175295291.db2.gz CGKMXZGCRBQHEY-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2ccccc2F)cc1C ZINC000020587257 178861262 /nfs/dbraw/zinc/86/12/62/178861262.db2.gz BLDCCXXRQUTZGG-OAHLLOKOSA-N 1 0 229.298 3.491 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020587282 175347877 /nfs/dbraw/zinc/34/78/77/175347877.db2.gz ZWAMGUOYDDQBFC-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1ccc(C)c(C)c1 ZINC000020587284 175353068 /nfs/dbraw/zinc/35/30/68/175353068.db2.gz ZWAMGUOYDDQBFC-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccc(OCC)c(F)c1 ZINC000020595307 169276921 /nfs/dbraw/zinc/27/69/21/169276921.db2.gz KZRCLJFPQHFEDW-JTQLQIEISA-N 1 0 225.307 3.285 10 0 BGAERO CCC[NH2+][C@H](C)c1ccc(OCC)c(F)c1 ZINC000020595308 169286928 /nfs/dbraw/zinc/28/69/28/169286928.db2.gz KZRCLJFPQHFEDW-SNVBAGLBSA-N 1 0 225.307 3.285 10 0 BGAERO C[C@@H]1CCC[C@@](CN)([NH+]2CCCCCCC2)C1 ZINC000021009328 176133493 /nfs/dbraw/zinc/13/34/93/176133493.db2.gz SLURUECHWWYUEE-HUUCEWRRSA-N 1 0 238.419 3.160 10 0 BGAERO C[C@H]1CCC[C@@](CN)([NH+]2CCCCCCC2)C1 ZINC000021009329 177127979 /nfs/dbraw/zinc/12/79/79/177127979.db2.gz SLURUECHWWYUEE-LSDHHAIUSA-N 1 0 238.419 3.160 10 0 BGAERO C[C@@H]1CCC[C@](CN)([NH+]2CCCCCCC2)C1 ZINC000021009330 176151047 /nfs/dbraw/zinc/15/10/47/176151047.db2.gz SLURUECHWWYUEE-CABCVRRESA-N 1 0 238.419 3.160 10 0 BGAERO C[C@H]1CCC[C@](CN)([NH+]2CCCCCCC2)C1 ZINC000021009331 177143324 /nfs/dbraw/zinc/14/33/24/177143324.db2.gz SLURUECHWWYUEE-GJZGRUSLSA-N 1 0 238.419 3.160 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N(C)C)CC(C)(C)C1 ZINC000021012806 386205258 /nfs/dbraw/zinc/20/52/58/386205258.db2.gz NOVGNZOOVSCFOR-CHWSQXEVSA-N 1 0 240.435 3.131 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CC(C)(C)N(C)C)CC(C)(C)C1 ZINC000021012807 386205828 /nfs/dbraw/zinc/20/58/28/386205828.db2.gz NOVGNZOOVSCFOR-QWHCGFSZSA-N 1 0 240.435 3.131 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CC(C)(C)N(C)C)CC(C)(C)C1 ZINC000021012808 386204631 /nfs/dbraw/zinc/20/46/31/386204631.db2.gz NOVGNZOOVSCFOR-OLZOCXBDSA-N 1 0 240.435 3.131 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CC(C)(C)N(C)C)CC(C)(C)C1 ZINC000021012809 386205042 /nfs/dbraw/zinc/20/50/42/386205042.db2.gz NOVGNZOOVSCFOR-STQMWFEESA-N 1 0 240.435 3.131 10 0 BGAERO CCC(CC)[C@H](C[NH2+][C@H](C)CC(C)C)N(C)C ZINC000021015920 168406436 /nfs/dbraw/zinc/40/64/36/168406436.db2.gz BTCVXTGGFBYHBB-HIFRSBDPSA-N 1 0 242.451 3.377 10 0 BGAERO Cc1cc(C)cc(O[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000021059009 177913238 /nfs/dbraw/zinc/91/32/38/177913238.db2.gz AABFNNRXLUFHKE-GJZGRUSLSA-N 1 0 233.355 3.342 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000021059817 170866619 /nfs/dbraw/zinc/86/66/19/170866619.db2.gz OVZPBPOPNKDFCN-BXUZGUMPSA-N 1 0 235.371 3.489 10 0 BGAERO CC(C)[C@@H](C[NH2+]C1CCCCCCC1)N(C)C ZINC000021061714 167399436 /nfs/dbraw/zinc/39/94/36/167399436.db2.gz MBZRSHRHHFLHFP-OAHLLOKOSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH+](CCC)C[C@@H](N)c1ccc(C)cc1C ZINC000021503110 169147492 /nfs/dbraw/zinc/14/74/92/169147492.db2.gz YUVJNAJCPPQBBX-MRXNPFEDSA-N 1 0 248.414 3.425 10 0 BGAERO CCC[NH+](CCC)C[C@H](N)c1ccc(C)cc1C ZINC000021503112 169149669 /nfs/dbraw/zinc/14/96/69/169149669.db2.gz YUVJNAJCPPQBBX-INIZCTEOSA-N 1 0 248.414 3.425 10 0 BGAERO Cc1ccc2c(c1)CCCN2C[C@@H]([NH3+])C(C)(C)C ZINC000021518811 132332089 /nfs/dbraw/zinc/33/20/89/132332089.db2.gz JSESKHNYRUHMCF-OAHLLOKOSA-N 1 0 246.398 3.121 10 0 BGAERO Cc1ccc2c(c1)CCCN2C[C@H]([NH3+])C(C)(C)C ZINC000021518812 132332020 /nfs/dbraw/zinc/33/20/20/132332020.db2.gz JSESKHNYRUHMCF-HNNXBMFYSA-N 1 0 246.398 3.121 10 0 BGAERO c1cc(-c2cccc3c2CC[NH2+]C3)cs1 ZINC000021782556 590227611 /nfs/dbraw/zinc/22/76/11/590227611.db2.gz FSNAYGZLWJTWSP-UHFFFAOYSA-N 1 0 215.321 3.061 10 0 BGAERO CCC(CC)C[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000021789005 168362500 /nfs/dbraw/zinc/36/25/00/168362500.db2.gz KWONDPOPAOGLRS-INIZCTEOSA-N 1 0 248.414 3.315 10 0 BGAERO CCC(CC)C[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000021789008 168364498 /nfs/dbraw/zinc/36/44/98/168364498.db2.gz KWONDPOPAOGLRS-MRXNPFEDSA-N 1 0 248.414 3.315 10 0 BGAERO CCC(CC)C[NH2+]CC1(N(C)C)CCCCC1 ZINC000021790616 168360389 /nfs/dbraw/zinc/36/03/89/168360389.db2.gz NMMHDTVITLVZBD-UHFFFAOYSA-N 1 0 240.435 3.277 10 0 BGAERO CCC[C@@H](C)C[NH2+]CC1(N(C)C)CCCCC1 ZINC000021808729 169358856 /nfs/dbraw/zinc/35/88/56/169358856.db2.gz MDNHDFTWDWEVPC-CQSZACIVSA-N 1 0 240.435 3.277 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1CCCO1 ZINC000021813162 176377898 /nfs/dbraw/zinc/37/78/98/176377898.db2.gz JYJNMNVOARJEBY-RQJABVFESA-N 1 0 239.403 3.358 10 0 BGAERO CCC[NH+](CCC)C[C@@H](N)c1cc(C)ccc1C ZINC000021813258 169147518 /nfs/dbraw/zinc/14/75/18/169147518.db2.gz ZGHCBZJRGHINJA-MRXNPFEDSA-N 1 0 248.414 3.425 10 0 BGAERO CCC[NH+](CCC)C[C@H](N)c1cc(C)ccc1C ZINC000021813259 169149436 /nfs/dbraw/zinc/14/94/36/169149436.db2.gz ZGHCBZJRGHINJA-INIZCTEOSA-N 1 0 248.414 3.425 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000021814521 385718014 /nfs/dbraw/zinc/71/80/14/385718014.db2.gz XEQWFZWGZLTAJV-ZBFHGGJFSA-N 1 0 248.414 3.315 10 0 BGAERO CCC[C@H](C)C[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000021814523 385716448 /nfs/dbraw/zinc/71/64/48/385716448.db2.gz XEQWFZWGZLTAJV-HOCLYGCPSA-N 1 0 248.414 3.315 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000021814525 259424280 /nfs/dbraw/zinc/42/42/80/259424280.db2.gz XEQWFZWGZLTAJV-GDBMZVCRSA-N 1 0 248.414 3.315 10 0 BGAERO CCC[C@H](C)C[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000021814527 385716689 /nfs/dbraw/zinc/71/66/89/385716689.db2.gz XEQWFZWGZLTAJV-GOEBONIOSA-N 1 0 248.414 3.315 10 0 BGAERO CC1CCC(CN)([NH+]2CCCCCCC2)CC1 ZINC000021817103 168153663 /nfs/dbraw/zinc/15/36/63/168153663.db2.gz PPUHUSQTRMDWEU-UHFFFAOYSA-N 1 0 238.419 3.160 10 0 BGAERO Cc1ccc(C)n1-c1sc(C)c(C)c1C[NH3+] ZINC000021949311 180556540 /nfs/dbraw/zinc/55/65/40/180556540.db2.gz CKOUHBGMSIJVHY-UHFFFAOYSA-N 1 0 234.368 3.231 10 0 BGAERO Cc1ccc([C@H]([NH3+])c2ccccc2)c(C)c1 ZINC000021957744 343826443 /nfs/dbraw/zinc/82/64/43/343826443.db2.gz SUNSGWLJZIJJDI-OAHLLOKOSA-N 1 0 211.308 3.352 10 0 BGAERO C[NH2+]Cc1ccc(SC(F)(F)F)cc1 ZINC000021966098 188179228 /nfs/dbraw/zinc/17/92/28/188179228.db2.gz OELYUHIDKFRWQM-UHFFFAOYSA-N 1 0 221.247 3.018 10 0 BGAERO Cc1ccccc1COc1ccc(C[NH3+])cc1 ZINC000021966639 179285347 /nfs/dbraw/zinc/28/53/47/179285347.db2.gz QKELCNJJXOTXNE-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO Fc1ccc([C@@H]2C[NH2+]Cc3cc(F)ccc32)cc1 ZINC000021983449 343844303 /nfs/dbraw/zinc/84/43/03/343844303.db2.gz ROYOHGZACUQLPI-HNNXBMFYSA-N 1 0 245.272 3.200 10 0 BGAERO C[NH+](C)Cc1ccc(-c2ccccc2)cc1C=O ZINC000021988793 397992754 /nfs/dbraw/zinc/99/27/54/397992754.db2.gz LDMSHKKVLMUHIC-UHFFFAOYSA-N 1 0 239.318 3.228 10 0 BGAERO C[C@@H]1C=C(c2ccccc2)[C@@H]2CCCC[N@H+]12 ZINC000021990297 188008331 /nfs/dbraw/zinc/00/83/31/188008331.db2.gz IXWZNXWVNYQDOK-DOMZBBRYSA-N 1 0 213.324 3.327 10 0 BGAERO C[C@H]1C=C(c2ccccc2)[C@@H]2CCCC[N@H+]12 ZINC000021990300 188179714 /nfs/dbraw/zinc/17/97/14/188179714.db2.gz IXWZNXWVNYQDOK-WFASDCNBSA-N 1 0 213.324 3.327 10 0 BGAERO CCCC[P@@](=O)(C[NH3+])OCc1ccccc1 ZINC000021993446 169016328 /nfs/dbraw/zinc/01/63/28/169016328.db2.gz NTQUQNUXAVSVDN-INIZCTEOSA-N 1 0 241.271 3.198 10 0 BGAERO CCCC[P@](=O)(C[NH3+])OCc1ccccc1 ZINC000021993447 169016444 /nfs/dbraw/zinc/01/64/44/169016444.db2.gz NTQUQNUXAVSVDN-MRXNPFEDSA-N 1 0 241.271 3.198 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2CCCC[C@@H]2O)c(C)c1 ZINC000021998164 177862559 /nfs/dbraw/zinc/86/25/59/177862559.db2.gz CDVLHTFSIZCBMG-HOTGVXAUSA-N 1 0 247.382 3.005 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2CCCC[C@H]2O)c(C)c1 ZINC000021998169 177862262 /nfs/dbraw/zinc/86/22/62/177862262.db2.gz CDVLHTFSIZCBMG-HZPDHXFCSA-N 1 0 247.382 3.005 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2CCCC[C@H]2O)c(C)c1 ZINC000021998173 177861647 /nfs/dbraw/zinc/86/16/47/177861647.db2.gz CDVLHTFSIZCBMG-JKSUJKDBSA-N 1 0 247.382 3.005 10 0 BGAERO C[C@@H]1CC(c2ccccc2)(c2ccccc2)C[NH2+]1 ZINC000021998662 176055932 /nfs/dbraw/zinc/05/59/32/176055932.db2.gz KNLBIETWTWULLC-CQSZACIVSA-N 1 0 237.346 3.355 10 0 BGAERO C[C@H]1CC(c2ccccc2)(c2ccccc2)C[NH2+]1 ZINC000021998666 177066556 /nfs/dbraw/zinc/06/65/56/177066556.db2.gz KNLBIETWTWULLC-AWEZNQCLSA-N 1 0 237.346 3.355 10 0 BGAERO CCCCc1nc[nH]c1Cc1ccccc1 ZINC000022000824 169027902 /nfs/dbraw/zinc/02/79/02/169027902.db2.gz PPXHSCDLAZGQKX-UHFFFAOYSA-N 1 0 214.312 3.343 10 0 BGAERO COc1cccc2[nH]cc(CC[N@H+](C)C(C)C)c21 ZINC000022001979 175297856 /nfs/dbraw/zinc/29/78/56/175297856.db2.gz BJIWLHLNPTWSGD-UHFFFAOYSA-N 1 0 246.354 3.059 10 0 BGAERO Cc1ccc(O)c([C@@H](CC[NH3+])c2ccccc2)c1 ZINC000022057197 384727328 /nfs/dbraw/zinc/72/73/28/384727328.db2.gz LZARZVSGZSQUGG-AWEZNQCLSA-N 1 0 241.334 3.181 10 0 in-vitro BGAERO Cc1cccc(C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000022129988 179103962 /nfs/dbraw/zinc/10/39/62/179103962.db2.gz VUJDIPFPNINEGE-KBPBESRZSA-N 1 0 203.329 3.055 10 0 BGAERO Cc1cccc(C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000022129989 179105489 /nfs/dbraw/zinc/10/54/89/179105489.db2.gz VUJDIPFPNINEGE-KGLIPLIRSA-N 1 0 203.329 3.055 10 0 BGAERO Cc1cccc(C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000022129990 179104909 /nfs/dbraw/zinc/10/49/09/179104909.db2.gz VUJDIPFPNINEGE-UONOGXRCSA-N 1 0 203.329 3.055 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1CCc1ccccc1 ZINC000022130010 350084193 /nfs/dbraw/zinc/08/41/93/350084193.db2.gz RGROVRCVZRNWBE-UONOGXRCSA-N 1 0 203.329 3.137 10 0 BGAERO Cc1ccccc1COc1ccc(CC[NH3+])cc1 ZINC000022143305 179285290 /nfs/dbraw/zinc/28/52/90/179285290.db2.gz JGYREKDPDWQPEA-UHFFFAOYSA-N 1 0 241.334 3.075 10 0 BGAERO Oc1ccc([C@@H]([NH2+]C2CC2)c2ccccc2)cc1 ZINC000022143481 188109465 /nfs/dbraw/zinc/10/94/65/188109465.db2.gz OFSZACLPTQGAPQ-INIZCTEOSA-N 1 0 239.318 3.234 10 0 BGAERO Oc1ccc([C@H]([NH2+]C2CC2)c2ccccc2)cc1 ZINC000022143483 183278199 /nfs/dbraw/zinc/27/81/99/183278199.db2.gz OFSZACLPTQGAPQ-MRXNPFEDSA-N 1 0 239.318 3.234 10 0 BGAERO Cc1cc(C)c([C@@H](C)[NH2+]C2CC2)c(C)c1 ZINC000022143840 177871102 /nfs/dbraw/zinc/87/11/02/177871102.db2.gz MRJBLVQXVLCNBG-GFCCVEGCSA-N 1 0 203.329 3.425 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+]C2CC2)c(C)c1 ZINC000022143841 177874264 /nfs/dbraw/zinc/87/42/64/177874264.db2.gz MRJBLVQXVLCNBG-LBPRGKRZSA-N 1 0 203.329 3.425 10 0 BGAERO C[C@@H]1CCC[C@H](C)C1[NH2+]Cc1ccco1 ZINC000022150131 177113992 /nfs/dbraw/zinc/11/39/92/177113992.db2.gz KRHOSFFXUPCQBS-QYJAPNMZSA-N 1 0 207.317 3.194 10 0 BGAERO CC[C@@H]([NH3+])c1ccccc1OCc1ccccn1 ZINC000022161620 170871204 /nfs/dbraw/zinc/87/12/04/170871204.db2.gz SFKXCAULTVZJKJ-CQSZACIVSA-N 1 0 242.322 3.070 10 0 BGAERO CC[C@H]([NH3+])c1ccccc1OCc1ccccn1 ZINC000022161623 171491902 /nfs/dbraw/zinc/49/19/02/171491902.db2.gz SFKXCAULTVZJKJ-AWEZNQCLSA-N 1 0 242.322 3.070 10 0 BGAERO CCCCOc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000022161752 168918473 /nfs/dbraw/zinc/91/84/73/168918473.db2.gz YCTGDQJBXJWATR-GFCCVEGCSA-N 1 0 221.344 3.145 10 0 BGAERO CC[C@@H]([NH3+])c1ccccc1OCc1cccnc1 ZINC000022165848 170871249 /nfs/dbraw/zinc/87/12/49/170871249.db2.gz MWZVGNPBMFFKNR-CQSZACIVSA-N 1 0 242.322 3.070 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(OCC(C)C)cc1 ZINC000022166830 170869987 /nfs/dbraw/zinc/86/99/87/170869987.db2.gz IOGFFHQEXBTKPD-CYBMUJFWSA-N 1 0 207.317 3.131 10 0 BGAERO CC(C)CCOc1cccc([C@@H](C)[NH3+])c1 ZINC000022166969 166883687 /nfs/dbraw/zinc/88/36/87/166883687.db2.gz BUAMGPFIJDGUIG-LLVKDONJSA-N 1 0 207.317 3.131 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(OCC(F)(F)F)cc1 ZINC000022167815 170869743 /nfs/dbraw/zinc/86/97/43/170869743.db2.gz HVAKTAOFRQKFME-SNVBAGLBSA-N 1 0 233.233 3.038 10 0 BGAERO Cc1cccc([C@H](CN)[N@@H+](C)C2CCCCC2)c1 ZINC000022168185 179198419 /nfs/dbraw/zinc/19/84/19/179198419.db2.gz XPBQLQPIXDYISC-INIZCTEOSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1cccc([C@@H](CN)[N@@H+](C)C2CCCCC2)c1 ZINC000022168187 179184534 /nfs/dbraw/zinc/18/45/34/179184534.db2.gz XPBQLQPIXDYISC-MRXNPFEDSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1cccc([C@H](C[NH3+])N(C)c2ccccc2)c1 ZINC000022170901 179199421 /nfs/dbraw/zinc/19/94/21/179199421.db2.gz YYAHJTUQLJHAFC-INIZCTEOSA-N 1 0 240.350 3.131 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])N(C)c2ccccc2)c1 ZINC000022170904 179185031 /nfs/dbraw/zinc/18/50/31/179185031.db2.gz YYAHJTUQLJHAFC-MRXNPFEDSA-N 1 0 240.350 3.131 10 0 BGAERO Cc1ccc([C@H](CN)[NH+]2CCC(C)CC2)c(C)c1 ZINC000022170954 178903420 /nfs/dbraw/zinc/90/34/20/178903420.db2.gz CHWIRIDDDMHCJO-INIZCTEOSA-N 1 0 246.398 3.035 10 0 BGAERO Cc1ccc(OCc2cccc(C[NH3+])c2)cc1C ZINC000022171197 178815736 /nfs/dbraw/zinc/81/57/36/178815736.db2.gz DRZMCECTLGCLDQ-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO Cc1ccccc1[C@H](CN)[N@@H+](C)C1CCCCC1 ZINC000022172731 179341692 /nfs/dbraw/zinc/34/16/92/179341692.db2.gz QKCYVXHOXRBNMT-INIZCTEOSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1cccc(OCc2cccc(C[NH3+])c2)c1C ZINC000022174297 188109221 /nfs/dbraw/zinc/10/92/21/188109221.db2.gz ATPCCCFGUORPCS-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1Cl ZINC000022178117 384994245 /nfs/dbraw/zinc/99/42/45/384994245.db2.gz GFBGFVVSPNOJEL-LURJTMIESA-N 1 0 204.100 3.274 10 0 BGAERO C[NH2+][C@H](C)c1cc(Cl)ccc1Cl ZINC000022178120 384995935 /nfs/dbraw/zinc/99/59/35/384995935.db2.gz GFBGFVVSPNOJEL-ZCFIWIBFSA-N 1 0 204.100 3.274 10 0 BGAERO Cc1ccsc1[C@@H](C[NH3+])N(C)c1ccccc1 ZINC000022209423 179551534 /nfs/dbraw/zinc/55/15/34/179551534.db2.gz IBXJQAPWYGCXQM-CYBMUJFWSA-N 1 0 246.379 3.193 10 0 BGAERO CC[C@@H]([NH3+])c1ccccc1OCC(C)C ZINC000022209490 170870561 /nfs/dbraw/zinc/87/05/61/170870561.db2.gz UBNMRPCKAPCAEL-GFCCVEGCSA-N 1 0 207.317 3.131 10 0 BGAERO CC[C@H]([NH3+])c1ccccc1OCC(C)C ZINC000022209493 171491531 /nfs/dbraw/zinc/49/15/31/171491531.db2.gz UBNMRPCKAPCAEL-LBPRGKRZSA-N 1 0 207.317 3.131 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)c1sccc1C ZINC000022211025 169150107 /nfs/dbraw/zinc/15/01/07/169150107.db2.gz DOIPLQRZSPRMTI-LBPRGKRZSA-N 1 0 240.416 3.178 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)c1sccc1C ZINC000022211028 169152480 /nfs/dbraw/zinc/15/24/80/169152480.db2.gz DOIPLQRZSPRMTI-GFCCVEGCSA-N 1 0 240.416 3.178 10 0 BGAERO Cc1cc(C)cc(OCc2cccc(C[NH3+])c2)c1 ZINC000022211280 177914100 /nfs/dbraw/zinc/91/41/00/177914100.db2.gz LHJCDBAKDUSZOU-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO CCN(Cc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000022213815 169905100 /nfs/dbraw/zinc/90/51/00/169905100.db2.gz VMXCUTHXRCSBOQ-UHFFFAOYSA-N 1 0 240.350 3.172 10 0 BGAERO Cc1cccc(C)c1OCc1cccc(C[NH3+])c1 ZINC000022214289 179048012 /nfs/dbraw/zinc/04/80/12/179048012.db2.gz MGPDPVXZPHMZIJ-UHFFFAOYSA-N 1 0 241.334 3.341 10 0 BGAERO CC[C@H]([NH3+])c1ccccc1OCC(F)(F)F ZINC000022214736 171491449 /nfs/dbraw/zinc/49/14/49/171491449.db2.gz RPFPPDOZOGUDGS-VIFPVBQESA-N 1 0 233.233 3.038 10 0 BGAERO C[C@@H]([NH3+])c1cccc(OCc2ccc(F)cc2)c1 ZINC000022216234 384744033 /nfs/dbraw/zinc/74/40/33/384744033.db2.gz QPQCIACBPSVZBW-LLVKDONJSA-N 1 0 245.297 3.424 10 0 BGAERO C[C@H]([NH3+])c1cccc(OCc2ccc(F)cc2)c1 ZINC000022216237 343044394 /nfs/dbraw/zinc/04/43/94/343044394.db2.gz QPQCIACBPSVZBW-NSHDSACASA-N 1 0 245.297 3.424 10 0 BGAERO C[C@H]([NH3+])c1ccccc1NC(=O)CC(C)(C)C ZINC000022216637 187254735 /nfs/dbraw/zinc/25/47/35/187254735.db2.gz IKYCOMTVLFFMNN-JTQLQIEISA-N 1 0 234.343 3.081 10 0 BGAERO [NH3+]Cc1ccccc1COc1ccc(F)cc1F ZINC000022219270 187420287 /nfs/dbraw/zinc/42/02/87/187420287.db2.gz PKDKFWHJCGYPPU-UHFFFAOYSA-N 1 0 249.260 3.003 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])N(C)c1ccccc1 ZINC000022219930 179342588 /nfs/dbraw/zinc/34/25/88/179342588.db2.gz VNAIBNQIRZHLQL-INIZCTEOSA-N 1 0 240.350 3.131 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])N(C)c2ccccc2)cc1 ZINC000022220275 178854412 /nfs/dbraw/zinc/85/44/12/178854412.db2.gz VPSZCKMGSILKRY-MRXNPFEDSA-N 1 0 240.350 3.131 10 0 BGAERO C[C@H]([NH3+])c1ccccc1NC(=O)CC1CCCC1 ZINC000022222029 187255292 /nfs/dbraw/zinc/25/52/92/187255292.db2.gz LMDGINAWYJQZBE-NSHDSACASA-N 1 0 246.354 3.225 10 0 BGAERO CCCCOc1ccc([C@H]([NH3+])CC)cc1 ZINC000022222255 187254623 /nfs/dbraw/zinc/25/46/23/187254623.db2.gz FBJSIMLFYMKAMB-CYBMUJFWSA-N 1 0 207.317 3.275 10 0 BGAERO CC[NH+](CC)[C@@H](CN)c1cccc2ccccc21 ZINC000022222892 343140527 /nfs/dbraw/zinc/14/05/27/343140527.db2.gz LQXYDGUGCJOIDP-INIZCTEOSA-N 1 0 242.366 3.181 10 0 BGAERO CC[NH+](CC)[C@H](CN)c1cccc2ccccc21 ZINC000022222894 384995726 /nfs/dbraw/zinc/99/57/26/384995726.db2.gz LQXYDGUGCJOIDP-MRXNPFEDSA-N 1 0 242.366 3.181 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(OCc2cccnc2)cc1 ZINC000022223279 170870329 /nfs/dbraw/zinc/87/03/29/170870329.db2.gz MLSJKZPRMGXOAP-OAHLLOKOSA-N 1 0 242.322 3.070 10 0 BGAERO C[C@H]([NH3+])c1ccc(OCc2cccc(F)c2)cc1 ZINC000022223459 176776770 /nfs/dbraw/zinc/77/67/70/176776770.db2.gz SKIQKMRRKIGOLI-NSHDSACASA-N 1 0 245.297 3.424 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])COC1CCCCC1 ZINC000022562560 179323994 /nfs/dbraw/zinc/32/39/94/179323994.db2.gz ZQIQLHUKBRINSC-HNNXBMFYSA-N 1 0 233.355 3.344 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])COC1CCCCC1 ZINC000022562564 179344166 /nfs/dbraw/zinc/34/41/66/179344166.db2.gz ZQIQLHUKBRINSC-OAHLLOKOSA-N 1 0 233.355 3.344 10 0 BGAERO [NH3+][C@H]1CCCCCC[C@H]1Oc1ccccc1F ZINC000022562779 371548935 /nfs/dbraw/zinc/54/89/35/371548935.db2.gz OFNKATKIEMFLJE-GXTWGEPZSA-N 1 0 237.318 3.255 10 0 BGAERO CCOc1ccccc1[C@@H]([NH3+])COC1CCCC1 ZINC000022563048 170598692 /nfs/dbraw/zinc/59/86/92/170598692.db2.gz BRIUJWCYXVQOMD-AWEZNQCLSA-N 1 0 249.354 3.044 10 0 BGAERO Cc1cccc(OC[C@@H]([NH3+])c2ccccc2C)c1 ZINC000022566077 179170502 /nfs/dbraw/zinc/17/05/02/179170502.db2.gz VHVUFDORLGUXHP-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc(OC[C@H]([NH3+])c2ccccc2C)c1 ZINC000022566085 179171533 /nfs/dbraw/zinc/17/15/33/179171533.db2.gz VHVUFDORLGUXHP-INIZCTEOSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cc(C)n([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])n1 ZINC000022566457 177932820 /nfs/dbraw/zinc/93/28/20/177932820.db2.gz VOCPBTZXELBNSW-MELADBBJSA-N 1 0 249.402 3.215 10 0 BGAERO Cc1ccccc1[C@H](CN)[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022853713 179341686 /nfs/dbraw/zinc/34/16/86/179341686.db2.gz OBWCLYIRQLZQHR-LZWOXQAQSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@@H](CN)[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000022853716 187763619 /nfs/dbraw/zinc/76/36/19/187763619.db2.gz OBWCLYIRQLZQHR-IJEWVQPXSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853748 179198856 /nfs/dbraw/zinc/19/88/56/179198856.db2.gz UUGMZUCRTHLIQU-LZWOXQAQSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000022853751 179184865 /nfs/dbraw/zinc/18/48/65/179184865.db2.gz UUGMZUCRTHLIQU-IJEWVQPXSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccc([C@H](CN)[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000022853764 342814328 /nfs/dbraw/zinc/81/43/28/342814328.db2.gz IYLHIUCEYQQFKM-LZWOXQAQSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@H](N)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000023066034 179343883 /nfs/dbraw/zinc/34/38/83/179343883.db2.gz GPHUWTMKEXUIGH-IJEWVQPXSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@H](N)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000023066036 179344142 /nfs/dbraw/zinc/34/41/42/179344142.db2.gz GPHUWTMKEXUIGH-OFQRWUPVSA-N 1 0 246.398 3.258 10 0 BGAERO [NH3+][C@H]1CCCCCC[C@@H]1n1cnc2ccccc21 ZINC000023066565 181640238 /nfs/dbraw/zinc/64/02/38/181640238.db2.gz FLVOPUPBVWSCMJ-JSGCOSHPSA-N 1 0 243.354 3.259 10 0 BGAERO Cc1nccn1[C@@H](C(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000023066715 180270716 /nfs/dbraw/zinc/27/07/16/180270716.db2.gz CMFKOKXVNHLVAI-GJZGRUSLSA-N 1 0 243.354 3.089 10 0 BGAERO Cc1nccn1[C@H](C(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000023066717 180270731 /nfs/dbraw/zinc/27/07/31/180270731.db2.gz CMFKOKXVNHLVAI-LSDHHAIUSA-N 1 0 243.354 3.089 10 0 BGAERO Cc1nccn1[C@@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000023066718 180272248 /nfs/dbraw/zinc/27/22/48/180272248.db2.gz CMFKOKXVNHLVAI-CABCVRRESA-N 1 0 243.354 3.089 10 0 BGAERO Cc1nccn1[C@H](C(C)C)[C@H]([NH3+])c1ccccc1 ZINC000023066720 180271469 /nfs/dbraw/zinc/27/14/69/180271469.db2.gz CMFKOKXVNHLVAI-HUUCEWRRSA-N 1 0 243.354 3.089 10 0 BGAERO C[C@@H]([NH3+])COc1ccccc1-c1ccccc1 ZINC000023067157 175806680 /nfs/dbraw/zinc/80/66/80/175806680.db2.gz LZIQEYXPINHYCB-GFCCVEGCSA-N 1 0 227.307 3.080 10 0 BGAERO Cc1ccccc1O[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000023067444 179313875 /nfs/dbraw/zinc/31/38/75/179313875.db2.gz WKSHRRMVGUIRDI-CZUORRHYSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1O[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000023067445 179312984 /nfs/dbraw/zinc/31/29/84/179312984.db2.gz WKSHRRMVGUIRDI-XJKSGUPXSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1O[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000023067447 179314529 /nfs/dbraw/zinc/31/45/29/179314529.db2.gz WKSHRRMVGUIRDI-CJNGLKHVSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1O[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000023067449 179313264 /nfs/dbraw/zinc/31/32/64/179313264.db2.gz WKSHRRMVGUIRDI-BBRMVZONSA-N 1 0 241.334 3.462 10 0 BGAERO [NH3+][C@H]1CCCCCC[C@H]1Oc1ccccc1 ZINC000023067770 344030638 /nfs/dbraw/zinc/03/06/38/344030638.db2.gz PBZBBIOXJZZRLE-UONOGXRCSA-N 1 0 219.328 3.116 10 0 BGAERO CCc1ccc(OC[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000023067782 188464944 /nfs/dbraw/zinc/46/49/44/188464944.db2.gz XCJSAWVBWPDXJQ-CYBMUJFWSA-N 1 0 221.344 3.001 10 0 BGAERO CC(C)(C)c1ccc([C@@H](N)C[NH+]2CCCC2)cc1 ZINC000023067820 188283430 /nfs/dbraw/zinc/28/34/30/188283430.db2.gz YXIDUHZYBQHKDE-HNNXBMFYSA-N 1 0 246.398 3.080 10 0 BGAERO CC(C)(C)c1ccc([C@H](N)C[NH+]2CCCC2)cc1 ZINC000023067822 188283231 /nfs/dbraw/zinc/28/32/31/188283231.db2.gz YXIDUHZYBQHKDE-OAHLLOKOSA-N 1 0 246.398 3.080 10 0 BGAERO COc1cccc([C@@H]([NH3+])COC2CCCCC2)c1 ZINC000023068127 175288424 /nfs/dbraw/zinc/28/84/24/175288424.db2.gz UNKLTIAUIQDSRC-HNNXBMFYSA-N 1 0 249.354 3.044 10 0 BGAERO COc1cccc([C@H]([NH3+])COC2CCCCC2)c1 ZINC000023068128 175293908 /nfs/dbraw/zinc/29/39/08/175293908.db2.gz UNKLTIAUIQDSRC-OAHLLOKOSA-N 1 0 249.354 3.044 10 0 BGAERO CCC(C)(C)c1ccc(OC[C@@H](C)[NH3+])cc1 ZINC000023068129 168306258 /nfs/dbraw/zinc/30/62/58/168306258.db2.gz APJALCWZMUDIKS-LLVKDONJSA-N 1 0 221.344 3.100 10 0 BGAERO CCC(C)(C)c1ccc(OC[C@H](C)[NH3+])cc1 ZINC000023068131 168305760 /nfs/dbraw/zinc/30/57/60/168305760.db2.gz APJALCWZMUDIKS-NSHDSACASA-N 1 0 221.344 3.100 10 0 BGAERO COc1ccc(O[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000023068732 187420169 /nfs/dbraw/zinc/42/01/69/187420169.db2.gz KXHLDRZZEYLSIA-LSDHHAIUSA-N 1 0 249.354 3.124 10 0 BGAERO COc1ccc(O[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000023068738 188465031 /nfs/dbraw/zinc/46/50/31/188465031.db2.gz KXHLDRZZEYLSIA-CABCVRRESA-N 1 0 249.354 3.124 10 0 BGAERO CC(C)[C@H]([C@H](N)c1ccccc1)[N@H+](C)C(C)C ZINC000023068820 187255452 /nfs/dbraw/zinc/25/54/52/187255452.db2.gz YHEJQVBCPOIAFW-HUUCEWRRSA-N 1 0 234.387 3.051 10 0 BGAERO Cc1ccc([C@H](N)C[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000023069319 178907214 /nfs/dbraw/zinc/90/72/14/178907214.db2.gz VFOYRHACSYPVFJ-OFQRWUPVSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@H](N)C[N@@H+](C)C1CCCCC1 ZINC000023069680 179343326 /nfs/dbraw/zinc/34/33/26/179343326.db2.gz QYTKLSXSWNAMDI-MRXNPFEDSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1ccccc1[C@@H](N)C[N@@H+](C)C1CCCCC1 ZINC000023069681 179325501 /nfs/dbraw/zinc/32/55/01/179325501.db2.gz QYTKLSXSWNAMDI-INIZCTEOSA-N 1 0 246.398 3.259 10 0 BGAERO C[C@@H](Oc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000023069687 176005992 /nfs/dbraw/zinc/00/59/92/176005992.db2.gz JHRPNGASJLFWBI-IUODEOHRSA-N 1 0 227.307 3.154 10 0 BGAERO C[C@H](Oc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000023069689 177024336 /nfs/dbraw/zinc/02/43/36/177024336.db2.gz JHRPNGASJLFWBI-SWLSCSKDSA-N 1 0 227.307 3.154 10 0 BGAERO C[C@@H](Oc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000023069691 176005745 /nfs/dbraw/zinc/00/57/45/176005745.db2.gz JHRPNGASJLFWBI-DOMZBBRYSA-N 1 0 227.307 3.154 10 0 BGAERO C[C@H](Oc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000023069693 177024843 /nfs/dbraw/zinc/02/48/43/177024843.db2.gz JHRPNGASJLFWBI-WFASDCNBSA-N 1 0 227.307 3.154 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])COC1CCCCC1 ZINC000023069781 175346997 /nfs/dbraw/zinc/34/69/97/175346997.db2.gz JIGAVPTUFVOCQH-AWEZNQCLSA-N 1 0 249.354 3.044 10 0 BGAERO COc1ccccc1[C@H]([NH3+])COC1CCCCC1 ZINC000023069783 175353079 /nfs/dbraw/zinc/35/30/79/175353079.db2.gz JIGAVPTUFVOCQH-CQSZACIVSA-N 1 0 249.354 3.044 10 0 BGAERO COc1ccccc1O[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000023069828 175342255 /nfs/dbraw/zinc/34/22/55/175342255.db2.gz NITBVPJLYNOCOR-QWHCGFSZSA-N 1 0 249.354 3.124 10 0 BGAERO COc1ccccc1O[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000023069830 175342921 /nfs/dbraw/zinc/34/29/21/175342921.db2.gz NITBVPJLYNOCOR-STQMWFEESA-N 1 0 249.354 3.124 10 0 BGAERO COc1ccccc1O[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000023069832 175342752 /nfs/dbraw/zinc/34/27/52/175342752.db2.gz NITBVPJLYNOCOR-CHWSQXEVSA-N 1 0 249.354 3.124 10 0 BGAERO COc1ccccc1O[C@H]1CCCCCC[C@H]1[NH3+] ZINC000023069834 175342948 /nfs/dbraw/zinc/34/29/48/175342948.db2.gz NITBVPJLYNOCOR-OLZOCXBDSA-N 1 0 249.354 3.124 10 0 BGAERO Cc1ccc(OC[C@@H](C)[NH3+])c(C(C)(C)C)c1 ZINC000023069854 188464312 /nfs/dbraw/zinc/46/43/12/188464312.db2.gz HWHJPQIYVCGJDU-LLVKDONJSA-N 1 0 221.344 3.019 10 0 BGAERO Cc1ccc(OC[C@H](C)[NH3+])c(C(C)(C)C)c1 ZINC000023069855 178813973 /nfs/dbraw/zinc/81/39/73/178813973.db2.gz HWHJPQIYVCGJDU-NSHDSACASA-N 1 0 221.344 3.019 10 0 BGAERO Cc1cccc(OC[C@@H]([NH3+])c2ccccc2)c1 ZINC000023070137 179170626 /nfs/dbraw/zinc/17/06/26/179170626.db2.gz KYFRTPMEHQNWTP-OAHLLOKOSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1cccc(OC[C@H]([NH3+])c2ccccc2)c1 ZINC000023070139 179170903 /nfs/dbraw/zinc/17/09/03/179170903.db2.gz KYFRTPMEHQNWTP-HNNXBMFYSA-N 1 0 227.307 3.074 10 0 BGAERO CC(C)[N@H+](C)C[C@H](N)c1ccc2ccccc2c1 ZINC000023070274 188109601 /nfs/dbraw/zinc/10/96/01/188109601.db2.gz ZAHYLIVRWPXDBM-INIZCTEOSA-N 1 0 242.366 3.180 10 0 BGAERO CCOc1ccc(O[C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000023070383 170556976 /nfs/dbraw/zinc/55/69/76/170556976.db2.gz ODDSZLHTJNMLAR-HUUCEWRRSA-N 1 0 249.354 3.124 10 0 BGAERO Cc1cccc(OC[C@@H]([NH3+])c2ccccc2)c1C ZINC000023070720 179171786 /nfs/dbraw/zinc/17/17/86/179171786.db2.gz VNRGOSPXCRJKEI-OAHLLOKOSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc(OC[C@H]([NH3+])c2ccccc2)c1C ZINC000023070722 179171084 /nfs/dbraw/zinc/17/10/84/179171084.db2.gz VNRGOSPXCRJKEI-HNNXBMFYSA-N 1 0 241.334 3.382 10 0 BGAERO CCOc1ccccc1O[C@@H]1CCCCC[C@@H]1[NH3+] ZINC000023070749 170597790 /nfs/dbraw/zinc/59/77/90/170597790.db2.gz UMDYTRCRSZJXCJ-QWHCGFSZSA-N 1 0 249.354 3.124 10 0 BGAERO Cc1cccc(OC[C@@H]([NH3+])c2ccc(F)cc2)c1 ZINC000023071469 179171017 /nfs/dbraw/zinc/17/10/17/179171017.db2.gz SXCLVPOKFBKAJN-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc(OC[C@H]([NH3+])c2ccc(F)cc2)c1 ZINC000023071471 179171211 /nfs/dbraw/zinc/17/12/11/179171211.db2.gz SXCLVPOKFBKAJN-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])CN(C)c1ccccc1 ZINC000023071817 179344285 /nfs/dbraw/zinc/34/42/85/179344285.db2.gz CXODLKBUNQAKMS-MRXNPFEDSA-N 1 0 240.350 3.131 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])CN(C)c1ccccc1 ZINC000023071818 179324048 /nfs/dbraw/zinc/32/40/48/179324048.db2.gz CXODLKBUNQAKMS-INIZCTEOSA-N 1 0 240.350 3.131 10 0 BGAERO Cc1cccc(O[C@@H](C)[C@@H]([NH3+])c2ccccc2)c1 ZINC000023071961 179174595 /nfs/dbraw/zinc/17/45/95/179174595.db2.gz IYRAQXRVMVVGEP-XJKSGUPXSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1cccc(O[C@@H](C)[C@H]([NH3+])c2ccccc2)c1 ZINC000023071963 179175104 /nfs/dbraw/zinc/17/51/04/179175104.db2.gz IYRAQXRVMVVGEP-BBRMVZONSA-N 1 0 241.334 3.462 10 0 BGAERO CC(C)[N@H+](C)C[C@H](N)c1ccc(C(C)(C)C)cc1 ZINC000023072034 187254591 /nfs/dbraw/zinc/25/45/91/187254591.db2.gz PFRHKPQMJLAIFJ-HNNXBMFYSA-N 1 0 248.414 3.324 10 0 BGAERO C[C@@H](Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000023504861 343065582 /nfs/dbraw/zinc/06/55/82/343065582.db2.gz JLCDKDGHTWGGQM-AWEZNQCLSA-N 1 0 225.335 3.407 10 0 in-vitro BGAERO C[C@H](Cc1ccccc1)[NH2+]Cc1ccccc1 ZINC000023504864 343065485 /nfs/dbraw/zinc/06/54/85/343065485.db2.gz JLCDKDGHTWGGQM-CQSZACIVSA-N 1 0 225.335 3.407 10 0 in-vitro BGAERO Oc1cccc([C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000025975022 183293941 /nfs/dbraw/zinc/29/39/41/183293941.db2.gz RUTLNJGVITWMQE-CABCVRRESA-N 1 0 231.339 3.124 10 0 in-vivo BGAERO Oc1cccc([C@H]2CC[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000025976499 183294157 /nfs/dbraw/zinc/29/41/57/183294157.db2.gz GBPVZNJTTUIKKY-KBPBESRZSA-N 1 0 231.339 3.124 10 0 in-vivo BGAERO Oc1cccc([C@H]2CC[C@H]3CCCC[N@@H+]3C2)c1 ZINC000025976514 183294013 /nfs/dbraw/zinc/29/40/13/183294013.db2.gz GBPVZNJTTUIKKY-UONOGXRCSA-N 1 0 231.339 3.124 10 0 in-vivo BGAERO CC(C)(C)c1cc(Cl)c(O)c(CCC[NH3+])c1 ZINC000026013441 187254580 /nfs/dbraw/zinc/25/45/80/187254580.db2.gz SEOIISUSZSRZQL-UHFFFAOYSA-N 1 0 241.762 3.234 10 0 BGAERO C[C@@]1([NH3+])c2ccccc2CCC12CCCC2 ZINC000026144106 350269204 /nfs/dbraw/zinc/26/92/04/350269204.db2.gz WRYSTCGEIHHHHB-CQSZACIVSA-N 1 0 215.340 3.367 10 0 BGAERO C[C@]1([NH3+])c2ccccc2CCC12CCCC2 ZINC000026144112 177467352 /nfs/dbraw/zinc/46/73/52/177467352.db2.gz WRYSTCGEIHHHHB-AWEZNQCLSA-N 1 0 215.340 3.367 10 0 BGAERO C[NH2+][C@@H]1c2ccccc2CCC12CCCC2 ZINC000026144120 398265190 /nfs/dbraw/zinc/26/51/90/398265190.db2.gz QKBMAKHYXIGSIU-CQSZACIVSA-N 1 0 215.340 3.454 10 0 BGAERO C[NH2+][C@H]1c2ccccc2CCC12CCCC2 ZINC000026144126 398265497 /nfs/dbraw/zinc/26/54/97/398265497.db2.gz QKBMAKHYXIGSIU-AWEZNQCLSA-N 1 0 215.340 3.454 10 0 BGAERO C[NH2+][C@@]12CC=CC[C@@H]1CCc1sccc12 ZINC000026145418 384543640 /nfs/dbraw/zinc/54/36/40/384543640.db2.gz YVZLDPGVJOHHBC-MFKMUULPSA-N 1 0 219.353 3.075 10 0 BGAERO C[NH2+][C@@]12CC=CC[C@@H]1CCc1ccccc12 ZINC000026149780 173441782 /nfs/dbraw/zinc/44/17/82/173441782.db2.gz VHPQWRICCYOPEN-HIFRSBDPSA-N 1 0 213.324 3.014 10 0 BGAERO C[NH2+][C@]12CC=CC[C@@H]1CCc1ccccc12 ZINC000026149785 173470784 /nfs/dbraw/zinc/47/07/84/173470784.db2.gz VHPQWRICCYOPEN-UKRRQHHQSA-N 1 0 213.324 3.014 10 0 BGAERO [NH3+][C@@H]1c2ccccc2CCC12CCCC2 ZINC000026151566 344126642 /nfs/dbraw/zinc/12/66/42/344126642.db2.gz TYSOCLHNFAWVRX-CYBMUJFWSA-N 1 0 201.313 3.193 10 0 BGAERO [NH3+][C@H]1c2ccccc2CCC12CCCC2 ZINC000026151574 350268631 /nfs/dbraw/zinc/26/86/31/350268631.db2.gz TYSOCLHNFAWVRX-ZDUSSCGKSA-N 1 0 201.313 3.193 10 0 BGAERO C[NH2+][C@@]12CC=CC[C@@H]1CCc1ccc(OC)cc12 ZINC000026156143 384545773 /nfs/dbraw/zinc/54/57/73/384545773.db2.gz NYRRKAKFWGZUEO-CJNGLKHVSA-N 1 0 243.350 3.022 10 0 BGAERO CCC[NH+](CCC)[C@@H]1Cc2ccc(C)c(O)c2C1 ZINC000026168941 169150585 /nfs/dbraw/zinc/15/05/85/169150585.db2.gz BOVBMVWQNTYQCH-CQSZACIVSA-N 1 0 247.382 3.290 10 0 BGAERO CCC[NH+](CCC)[C@H]1Cc2ccc(C)c(O)c2C1 ZINC000026168946 169152631 /nfs/dbraw/zinc/15/26/31/169152631.db2.gz BOVBMVWQNTYQCH-AWEZNQCLSA-N 1 0 247.382 3.290 10 0 BGAERO CCC[NH+](CCC)CCc1ccc(C)c(O)c1 ZINC000026174552 169147936 /nfs/dbraw/zinc/14/79/36/169147936.db2.gz GGSWFNYJXYRVFD-UHFFFAOYSA-N 1 0 235.371 3.365 10 0 BGAERO CCC[N@@H+]1CCC[C@H]2c3ccc(O)cc3CC[C@@H]21 ZINC000026275280 169201518 /nfs/dbraw/zinc/20/15/18/169201518.db2.gz BGWNOOWFGJBORE-HOTGVXAUSA-N 1 0 245.366 3.296 10 0 BGAERO CCC[N@@H+]1CCC[C@H]2c3cccc(O)c3CC[C@H]21 ZINC000026286988 169201331 /nfs/dbraw/zinc/20/13/31/169201331.db2.gz ANYSYRVXKLTFPB-DZGCQCFKSA-N 1 0 245.366 3.296 10 0 BGAERO C[NH2+]Cc1sccc1Oc1ccccc1 ZINC000026340361 384874127 /nfs/dbraw/zinc/87/41/27/384874127.db2.gz NMPYTDGXFACLAJ-UHFFFAOYSA-N 1 0 219.309 3.260 10 0 BGAERO C[NH2+]CCc1c(C)cc(C(C)(C)C)cc1C ZINC000026378330 173359217 /nfs/dbraw/zinc/35/92/17/173359217.db2.gz YSRCUCIAZSUCOK-UHFFFAOYSA-N 1 0 219.372 3.363 10 0 BGAERO C[N@@H+]1CCC[C@H]1COc1cccc2ccccc21 ZINC000026381957 173055412 /nfs/dbraw/zinc/05/54/12/173055412.db2.gz RHWOYGBUXYNQEL-AWEZNQCLSA-N 1 0 241.334 3.313 10 0 BGAERO COc1ccc2ccccc2c1[C@@H]1CCC[NH2+]1 ZINC000026442900 175226526 /nfs/dbraw/zinc/22/65/26/175226526.db2.gz PAVBXXRQUDQCFF-ZDUSSCGKSA-N 1 0 227.307 3.273 10 0 BGAERO COc1ccc2ccccc2c1[C@H]1CCC[NH2+]1 ZINC000026442902 175226475 /nfs/dbraw/zinc/22/64/75/175226475.db2.gz PAVBXXRQUDQCFF-CYBMUJFWSA-N 1 0 227.307 3.273 10 0 BGAERO Cc1cccc(OC[C@@H]([NH3+])c2cccs2)c1 ZINC000026444083 179171335 /nfs/dbraw/zinc/17/13/35/179171335.db2.gz RSLFGMFZULARMM-GFCCVEGCSA-N 1 0 233.336 3.135 10 0 BGAERO Cc1cccc(OC[C@H]([NH3+])c2cccs2)c1 ZINC000026444085 179171643 /nfs/dbraw/zinc/17/16/43/179171643.db2.gz RSLFGMFZULARMM-LBPRGKRZSA-N 1 0 233.336 3.135 10 0 BGAERO Cc1ccccc1NC(=[NH2+])NC1CCCCC1 ZINC000026478880 179297397 /nfs/dbraw/zinc/29/73/97/179297397.db2.gz IPPGIHDJCAGMHJ-UHFFFAOYSA-N 1 0 231.343 3.264 10 0 BGAERO Cc1ccccc1NC(=[NH2+])Nc1ccccc1N ZINC000026485558 179297797 /nfs/dbraw/zinc/29/77/97/179297797.db2.gz FJESKHWZPXIAKH-UHFFFAOYSA-N 1 0 240.310 3.036 10 0 BGAERO Cc1ccccc1NC(=[NH2+])N[C@H]1C[C@H]2CC[C@@H]1C2 ZINC000026486977 179296928 /nfs/dbraw/zinc/29/69/28/179296928.db2.gz GBOCJNIKJDWPIB-SCRDCRAPSA-N 1 0 243.354 3.120 10 0 BGAERO Cc1ccccc1NC(=[NH2+])Nc1cccc(O)c1 ZINC000026491379 179297756 /nfs/dbraw/zinc/29/77/56/179297756.db2.gz CHEFWPFMFSWBKT-UHFFFAOYSA-N 1 0 241.294 3.159 10 0 BGAERO [NH2+]=C1Nc2ccccc2-c2ccccc2N1 ZINC000026498013 181207176 /nfs/dbraw/zinc/20/71/76/181207176.db2.gz FHTRGAAKDVJYQG-UHFFFAOYSA-N 1 0 209.252 3.126 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cccn1C ZINC000026513332 179339014 /nfs/dbraw/zinc/33/90/14/179339014.db2.gz GYMUGUXWDQWYIF-ZDUSSCGKSA-N 1 0 228.339 3.184 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000026513613 188356155 /nfs/dbraw/zinc/35/61/55/188356155.db2.gz IALMBYDODPIMEM-CQSZACIVSA-N 1 0 203.329 3.221 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CC(F)(F)F)cc1C ZINC000026514489 357165263 /nfs/dbraw/zinc/16/52/63/357165263.db2.gz VKQCUAPZXUPTNV-JTQLQIEISA-N 1 0 217.234 3.256 10 0 BGAERO Cc1ccc([C@H]([NH3+])CC(F)(F)F)cc1C ZINC000026514491 357165385 /nfs/dbraw/zinc/16/53/85/357165385.db2.gz VKQCUAPZXUPTNV-SNVBAGLBSA-N 1 0 217.234 3.256 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccccc2)c(C)s1 ZINC000026514536 178237087 /nfs/dbraw/zinc/23/70/87/178237087.db2.gz VFPJYZHAVYKKPY-ZDUSSCGKSA-N 1 0 217.337 3.413 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccccc2)c(C)s1 ZINC000026514537 178262112 /nfs/dbraw/zinc/26/21/12/178262112.db2.gz VFPJYZHAVYKKPY-CYBMUJFWSA-N 1 0 217.337 3.413 10 0 BGAERO CC1CCC(OCC[C@@H]2CCCC[NH2+]2)CC1 ZINC000026515145 168168494 /nfs/dbraw/zinc/16/84/94/168168494.db2.gz GVEWSWTVYNQPNE-MOKVOYLWSA-N 1 0 225.376 3.114 10 0 BGAERO CC1CCC(OCC[C@H]2CCCC[NH2+]2)CC1 ZINC000026515147 168168385 /nfs/dbraw/zinc/16/83/85/168168385.db2.gz GVEWSWTVYNQPNE-ROKHWSDSSA-N 1 0 225.376 3.114 10 0 BGAERO [NH3+][C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000026569588 181660782 /nfs/dbraw/zinc/66/07/82/181660782.db2.gz ZPTITOXHTKKBPT-HOCLYGCPSA-N 1 0 223.319 3.092 10 0 BGAERO [NH3+][C@H]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000026569594 181660271 /nfs/dbraw/zinc/66/02/71/181660271.db2.gz ZPTITOXHTKKBPT-GOEBONIOSA-N 1 0 223.319 3.092 10 0 BGAERO CCCc1cccc2c(C[C@@H](C)[NH3+])c[nH]c21 ZINC000026664411 169577553 /nfs/dbraw/zinc/57/75/53/169577553.db2.gz KHLTZAHXRPUAEN-SNVBAGLBSA-N 1 0 216.328 3.010 10 0 BGAERO CCCc1cccc2c(C[C@H](C)[NH3+])c[nH]c21 ZINC000026664416 169577394 /nfs/dbraw/zinc/57/73/94/169577394.db2.gz KHLTZAHXRPUAEN-JTQLQIEISA-N 1 0 216.328 3.010 10 0 BGAERO COc1ccccc1[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000026718262 175355385 /nfs/dbraw/zinc/35/53/85/175355385.db2.gz REUJBZKVFMFXQR-TZMCWYRMSA-N 1 0 231.339 3.385 10 0 BGAERO c1ccc([C@H]2CC[C@H]3CCCC[N@H+]32)cc1 ZINC000026724644 398285353 /nfs/dbraw/zinc/28/53/53/398285353.db2.gz RSSNGXWQVBKBDG-ZIAGYGMSSA-N 1 0 201.313 3.376 10 0 BGAERO Oc1ccc([C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC000026727967 183278143 /nfs/dbraw/zinc/27/81/43/183278143.db2.gz VFDLHVPMAORMAY-TZMCWYRMSA-N 1 0 217.312 3.082 10 0 BGAERO COc1cccc([C@H]2CC[C@H]3CCCC[N@@H+]32)c1 ZINC000026731018 175296302 /nfs/dbraw/zinc/29/63/02/175296302.db2.gz WSAGBHNJZUJDPU-UKRRQHHQSA-N 1 0 231.339 3.385 10 0 BGAERO C[NH2+][C@H]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000026834745 384892362 /nfs/dbraw/zinc/89/23/62/384892362.db2.gz HLOCJJORRHQDKS-RDJZCZTQSA-N 1 0 237.346 3.353 10 0 in-vivo BGAERO C[NH2+][C@@H]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000026834748 173439521 /nfs/dbraw/zinc/43/95/21/173439521.db2.gz HLOCJJORRHQDKS-WBVHZDCISA-N 1 0 237.346 3.353 10 0 in-vivo BGAERO C[N@@H+]1CCC[C@@H]1C12CC3CC(CC(C3)C1)C2 ZINC000026984361 173029528 /nfs/dbraw/zinc/02/95/28/173029528.db2.gz SWORWWUKPHSOQK-WRHSUISWSA-N 1 0 219.372 3.297 10 0 BGAERO C[N@@H+]1CCC[C@H]1C12CC3CC(CC(C3)C1)C2 ZINC000026984369 173050482 /nfs/dbraw/zinc/05/04/82/173050482.db2.gz SWORWWUKPHSOQK-IHXHZNKUSA-N 1 0 219.372 3.297 10 0 BGAERO C[N@@H+]1CCCCC12C1CC3CC(C1)CC2C3 ZINC000026994680 344209378 /nfs/dbraw/zinc/20/93/78/344209378.db2.gz ADJGDJPSZPEEPZ-UHFFFAOYSA-N 1 0 219.372 3.297 10 0 BGAERO [NH3+]C1(C23CC4CC(CC(C4)C2)C3)CCCC1 ZINC000026995916 181331130 /nfs/dbraw/zinc/33/11/30/181331130.db2.gz JHVOJYUPDOQKIQ-UHFFFAOYSA-N 1 0 219.372 3.474 10 0 BGAERO c1ccc(C2=CC[N@H+](C3CCC3)CC2)cc1 ZINC000027195327 188081945 /nfs/dbraw/zinc/08/19/45/188081945.db2.gz RUFGYQZMJCCTEE-UHFFFAOYSA-N 1 0 213.324 3.328 10 0 BGAERO CCCc1ccc(CCC[NH+](C)C)cc1 ZINC000027302640 169570733 /nfs/dbraw/zinc/57/07/33/169570733.db2.gz MVHHLZRASGSDND-UHFFFAOYSA-N 1 0 205.345 3.133 10 0 BGAERO C[NH+](C)CCCc1ccc2ccccc2c1 ZINC000027302878 172445441 /nfs/dbraw/zinc/44/54/41/172445441.db2.gz PXBFBQUJJVFGAD-UHFFFAOYSA-N 1 0 213.324 3.334 10 0 BGAERO Cc1cccc2[nH+]c3c(c(N)c12)CCCC3 ZINC000027409167 179232182 /nfs/dbraw/zinc/23/21/82/179232182.db2.gz VJHVXQDJWJBLLR-UHFFFAOYSA-N 1 0 212.296 3.004 10 0 BGAERO C[C@@H]1C[N@H+](C)[C@@H](C)C=C1c1ccccc1 ZINC000027425160 176278501 /nfs/dbraw/zinc/27/85/01/176278501.db2.gz ICKUZMOQPGDNPT-NEPJUHHUSA-N 1 0 201.313 3.040 10 0 BGAERO C[C@H]1C[N@H+](C)[C@@H](C)C=C1c1ccccc1 ZINC000027425165 384897452 /nfs/dbraw/zinc/89/74/52/384897452.db2.gz ICKUZMOQPGDNPT-RYUDHWBXSA-N 1 0 201.313 3.040 10 0 BGAERO CCC[NH+](CCC)C[C@@H]1Cc2cccc(O)c2C1 ZINC000027433820 169149654 /nfs/dbraw/zinc/14/96/54/169149654.db2.gz XKQGSYJVPVXRRN-CYBMUJFWSA-N 1 0 247.382 3.229 10 0 BGAERO CCC[NH+](CCC)C[C@H]1Cc2cccc(O)c2C1 ZINC000027433825 169149306 /nfs/dbraw/zinc/14/93/06/169149306.db2.gz XKQGSYJVPVXRRN-ZDUSSCGKSA-N 1 0 247.382 3.229 10 0 BGAERO C[C@H]1Cc2ccc(Cl)c(Cl)c2C[NH2+]1 ZINC000027548167 177388643 /nfs/dbraw/zinc/38/86/43/177388643.db2.gz LOQADRXKSMWORR-LURJTMIESA-N 1 0 216.111 3.028 10 0 BGAERO O=[N+]1Cc2ccccc2CCC12CCCCC2 ZINC000027553172 344273535 /nfs/dbraw/zinc/27/35/35/344273535.db2.gz FWPONGJQRCNFNY-UHFFFAOYSA-N 1 0 229.323 3.265 10 0 BGAERO CC1(C)Cc2c(ccc3ccccc32)C[N+]1=O ZINC000027554723 344273433 /nfs/dbraw/zinc/27/34/33/344273433.db2.gz UASLHJMXEPSJGA-UHFFFAOYSA-N 1 0 225.291 3.104 10 0 BGAERO CC1(C)Cc2ccc3ccccc3c2C[N+]1=O ZINC000027555073 344272431 /nfs/dbraw/zinc/27/24/31/344272431.db2.gz KQVIONMBAZCSCI-UHFFFAOYSA-N 1 0 225.291 3.104 10 0 BGAERO C[C@@]1(c2cccc(O)c2)CCC[N@H+](CC2CC2)C1 ZINC000027564199 344274571 /nfs/dbraw/zinc/27/45/71/344274571.db2.gz BFJGDYASFRFDRK-MRXNPFEDSA-N 1 0 245.366 3.156 10 0 BGAERO C[C@]1(c2cccc(O)c2)CCC[N@H+](CC2CC2)C1 ZINC000027564201 384080329 /nfs/dbraw/zinc/08/03/29/384080329.db2.gz BFJGDYASFRFDRK-INIZCTEOSA-N 1 0 245.366 3.156 10 0 BGAERO C[N@@H+]1CC[C@]2(c3cccc(O)c3)CCCC[C@H]2C1 ZINC000027636934 173168847 /nfs/dbraw/zinc/16/88/47/173168847.db2.gz ZMMPBZMELZHMIT-HOCLYGCPSA-N 1 0 245.366 3.156 10 0 BGAERO C[N@@H+]1CC[C@@]2(c3ccccc3)CCCC[C@H]2C1 ZINC000027637991 173141183 /nfs/dbraw/zinc/14/11/83/173141183.db2.gz ZVUPIZCQKCQXCR-JKSUJKDBSA-N 1 0 229.367 3.450 10 0 BGAERO C[N@@H+]1CC[C@]2(c3ccccc3)CCCC[C@H]2C1 ZINC000027637997 173168678 /nfs/dbraw/zinc/16/86/78/173168678.db2.gz ZVUPIZCQKCQXCR-HOTGVXAUSA-N 1 0 229.367 3.450 10 0 BGAERO CCCC[NH2+][C@@H]1CCc2c(O)cccc2[C@@H]1C ZINC000027656857 384141369 /nfs/dbraw/zinc/14/13/69/384141369.db2.gz KGPQAMVCAGOIPT-SMDDNHRTSA-N 1 0 233.355 3.200 10 0 BGAERO CC[NH+](CC)[C@@H]1CCc2c(O)cccc2[C@@H]1C ZINC000027704519 344289721 /nfs/dbraw/zinc/28/97/21/344289721.db2.gz DPTFGOTYFGUZBM-SMDDNHRTSA-N 1 0 233.355 3.152 10 0 BGAERO C[N@@H+]1CCc2ccc(Cl)c3c2[C@@H](CCC3)C1 ZINC000027713969 173172032 /nfs/dbraw/zinc/17/20/32/173172032.db2.gz JMKKCTPTLYGDIG-NSHDSACASA-N 1 0 235.758 3.248 10 0 BGAERO C[N@@H+]1CCc2ccc(Cl)c3c2[C@H](CCC3)C1 ZINC000027713974 173172444 /nfs/dbraw/zinc/17/24/44/173172444.db2.gz JMKKCTPTLYGDIG-LLVKDONJSA-N 1 0 235.758 3.248 10 0 BGAERO CC[NH+](CC)[C@H]1CCc2c(O)cccc2[C@H]1C ZINC000027714399 169801707 /nfs/dbraw/zinc/80/17/07/169801707.db2.gz DPTFGOTYFGUZBM-RISCZKNCSA-N 1 0 233.355 3.152 10 0 BGAERO C[C@@H]([NH3+])c1cccc2c1Cc1ccccc1-2 ZINC000027715800 384171200 /nfs/dbraw/zinc/17/12/00/384171200.db2.gz VNOQCQYAGYILFN-SNVBAGLBSA-N 1 0 209.292 3.278 10 0 BGAERO C[C@H]([NH3+])c1cccc2c1Cc1ccccc1-2 ZINC000027715807 176777175 /nfs/dbraw/zinc/77/71/75/176777175.db2.gz VNOQCQYAGYILFN-JTQLQIEISA-N 1 0 209.292 3.278 10 0 BGAERO CCC[N@@H+]1CCc2cccc3c2[C@@H](CCC3)C1 ZINC000027716754 169208763 /nfs/dbraw/zinc/20/87/63/169208763.db2.gz BJNZWVBFLRDDPB-HNNXBMFYSA-N 1 0 229.367 3.375 10 0 BGAERO CCC[N@@H+]1CCc2cccc3c2[C@H](CCC3)C1 ZINC000027716760 169209027 /nfs/dbraw/zinc/20/90/27/169209027.db2.gz BJNZWVBFLRDDPB-OAHLLOKOSA-N 1 0 229.367 3.375 10 0 BGAERO C[NH2+][C@]12CCCCC[C@H]1Cc1ccccc12 ZINC000027730266 384176134 /nfs/dbraw/zinc/17/61/34/384176134.db2.gz AIUSXHIDDUSEIA-DZGCQCFKSA-N 1 0 215.340 3.238 10 0 BGAERO C[NH2+]C[C@]12Cc3ccccc3[C@H]1CCCC2 ZINC000027734254 173373288 /nfs/dbraw/zinc/37/32/88/173373288.db2.gz IYZUROTUIOQJEZ-CABCVRRESA-N 1 0 215.340 3.106 10 0 BGAERO C[NH2+]C[C@@]12Cc3ccccc3[C@H]1CCCC2 ZINC000027734259 173383664 /nfs/dbraw/zinc/38/36/64/173383664.db2.gz IYZUROTUIOQJEZ-HUUCEWRRSA-N 1 0 215.340 3.106 10 0 BGAERO C[NH2+]C[C@]12Cc3ccccc3[C@@H]1CCCC2 ZINC000027734266 173373680 /nfs/dbraw/zinc/37/36/80/173373680.db2.gz IYZUROTUIOQJEZ-GJZGRUSLSA-N 1 0 215.340 3.106 10 0 BGAERO C[NH2+]C[C@@]12Cc3ccccc3[C@@H]1CCCC2 ZINC000027734273 173384324 /nfs/dbraw/zinc/38/43/24/173384324.db2.gz IYZUROTUIOQJEZ-LSDHHAIUSA-N 1 0 215.340 3.106 10 0 BGAERO C[NH2+][C@]12CC[C@@H](C)C[C@@H]1Cc1ccccc12 ZINC000027735333 384179179 /nfs/dbraw/zinc/17/91/79/384179179.db2.gz BTDNYXDWDQUUQW-UXIGCNINSA-N 1 0 215.340 3.094 10 0 BGAERO C[NH2+][C@]12CC[C@H](C)C[C@@H]1Cc1ccccc12 ZINC000027735339 384179343 /nfs/dbraw/zinc/17/93/43/384179343.db2.gz BTDNYXDWDQUUQW-NJZAAPMLSA-N 1 0 215.340 3.094 10 0 BGAERO C[C@@H]([NH3+])c1cccc(N2CCc3ccccc32)c1 ZINC000027769372 175818147 /nfs/dbraw/zinc/81/81/47/175818147.db2.gz RCUJBVZERWHFEN-GFCCVEGCSA-N 1 0 238.334 3.401 10 0 BGAERO C[C@H]([NH3+])c1cccc(N2CCc3ccccc32)c1 ZINC000027769379 344303444 /nfs/dbraw/zinc/30/34/44/344303444.db2.gz RCUJBVZERWHFEN-LBPRGKRZSA-N 1 0 238.334 3.401 10 0 BGAERO [NH3+]Cc1cccc(-n2ccc3ccccc32)c1 ZINC000027852100 384914599 /nfs/dbraw/zinc/91/45/99/384914599.db2.gz QCGIDYVNXZLJHE-UHFFFAOYSA-N 1 0 222.291 3.089 10 0 BGAERO C[NH2+]Cc1cccc(N2CCc3ccccc32)c1 ZINC000027854862 173389549 /nfs/dbraw/zinc/38/95/49/173389549.db2.gz ZVMSBSJPLVHUSR-UHFFFAOYSA-N 1 0 238.334 3.100 10 0 BGAERO Nc1c2cccc(Cl)c2[nH+]c2c1CCCC2 ZINC000027993222 343140666 /nfs/dbraw/zinc/14/06/66/343140666.db2.gz DREAHDLCWZKIJL-UHFFFAOYSA-N 1 0 232.714 3.349 10 0 in-vivo BGAERO [NH3+]C[C@@H]1C2CCC(CC2)[C@@H]1c1ccccc1 ZINC000027996134 181426677 /nfs/dbraw/zinc/42/66/77/181426677.db2.gz QBYWIIUIGGPZJX-AXVKAWJUSA-N 1 0 215.340 3.165 10 0 BGAERO CCCC[C@@H]1[C@H](O)CCC[C@]12CCCC[N@@H+]2C ZINC000027998119 344323892 /nfs/dbraw/zinc/32/38/92/344323892.db2.gz JQAAYMWQZFOCNY-RBSFLKMASA-N 1 0 239.403 3.192 10 0 BGAERO COc1ccc2c(CC[N@H+](C)C(C)C)c[nH]c2c1 ZINC000027999597 175204497 /nfs/dbraw/zinc/20/44/97/175204497.db2.gz LIQPALFOYIHQNJ-UHFFFAOYSA-N 1 0 246.354 3.059 10 0 BGAERO CCCC[C@@H]1C(=O)CCC[C@]12CCCC[N@@H+]2C ZINC000028000095 344324231 /nfs/dbraw/zinc/32/42/31/344324231.db2.gz OMWQXDXVKZYVPF-UKRRQHHQSA-N 1 0 237.387 3.400 10 0 BGAERO CCCC[C@@H]1C(=O)CCC[C@]12CCCC[NH2+]2 ZINC000028010156 344324275 /nfs/dbraw/zinc/32/42/75/344324275.db2.gz QSDZSNVEJVVROA-TZMCWYRMSA-N 1 0 223.360 3.058 10 0 BGAERO CCC[NH+](CCC)CCc1ccc(O)cc1 ZINC000028020519 169146661 /nfs/dbraw/zinc/14/66/61/169146661.db2.gz OJDDVYFYQUXKDE-UHFFFAOYSA-N 1 0 221.344 3.057 10 0 BGAERO CCC[NH+](CCC)[C@H]1C[C@@H]1c1ccc(O)cc1 ZINC000028092602 169152171 /nfs/dbraw/zinc/15/21/71/169152171.db2.gz KYYDOJVIXFOGOC-CABCVRRESA-N 1 0 233.355 3.370 10 0 BGAERO C[C@@H]1Cc2cccc(-c3ccccc3)c2C[NH2+]1 ZINC000028097788 176450593 /nfs/dbraw/zinc/45/05/93/176450593.db2.gz ZVJHUFMFBLRBAV-GFCCVEGCSA-N 1 0 223.319 3.388 10 0 BGAERO C[C@H]1Cc2cccc(-c3ccccc3)c2C[NH2+]1 ZINC000028097794 177389435 /nfs/dbraw/zinc/38/94/35/177389435.db2.gz ZVJHUFMFBLRBAV-LBPRGKRZSA-N 1 0 223.319 3.388 10 0 BGAERO C[C@@H]([NH2+]Cc1cccc(N)c1)c1ccccc1 ZINC000028227503 344353609 /nfs/dbraw/zinc/35/36/09/344353609.db2.gz VEGSMTQZFKUUPH-GFCCVEGCSA-N 1 0 226.323 3.120 10 0 BGAERO C[C@H]([NH2+]Cc1cccc(N)c1)c1ccccc1 ZINC000028227507 384380820 /nfs/dbraw/zinc/38/08/20/384380820.db2.gz VEGSMTQZFKUUPH-LBPRGKRZSA-N 1 0 226.323 3.120 10 0 BGAERO CC(=[NH2+])NC1c2ccccc2Oc2ccccc21 ZINC000028235912 344354725 /nfs/dbraw/zinc/35/47/25/344354725.db2.gz HYVGZBRQTKUDDZ-UHFFFAOYSA-N 1 0 238.290 3.468 10 0 BGAERO C[NH+](C)CCOc1cccc(-c2ccccc2)c1 ZINC000028238093 384388340 /nfs/dbraw/zinc/38/83/40/384388340.db2.gz XYIFLKDAKDHIML-UHFFFAOYSA-N 1 0 241.334 3.294 10 0 BGAERO c1ccc([C@@H]2[NH2+]CCCc3ccccc32)cc1 ZINC000028247706 384388646 /nfs/dbraw/zinc/38/86/46/384388646.db2.gz AGPXNHLBMHQFCE-INIZCTEOSA-N 1 0 223.319 3.312 10 0 BGAERO c1ccc([C@H]2[NH2+]CCCc3ccccc32)cc1 ZINC000028247713 384387084 /nfs/dbraw/zinc/38/70/84/384387084.db2.gz AGPXNHLBMHQFCE-MRXNPFEDSA-N 1 0 223.319 3.312 10 0 BGAERO C[NH2+]Cc1ccccc1Sc1ccccc1N ZINC000028460036 343398049 /nfs/dbraw/zinc/39/80/49/343398049.db2.gz HIIZEGRFLFJWAX-UHFFFAOYSA-N 1 0 244.363 3.139 10 0 BGAERO CC(C)CSc1ccc(C[C@@H](C)[NH3+])cc1 ZINC000028465563 187666114 /nfs/dbraw/zinc/66/61/14/187666114.db2.gz CMGJSVMGFVYVHF-LLVKDONJSA-N 1 0 223.385 3.324 10 0 BGAERO CC(C)CSc1ccc(C[C@H](C)[NH3+])cc1 ZINC000028465567 187666449 /nfs/dbraw/zinc/66/64/49/187666449.db2.gz CMGJSVMGFVYVHF-NSHDSACASA-N 1 0 223.385 3.324 10 0 BGAERO CC(C)C[C@H]([NH3+])COCc1ccccc1Cl ZINC000028521640 187764757 /nfs/dbraw/zinc/76/47/57/187764757.db2.gz MCAVNAXVCWIMGB-LBPRGKRZSA-N 1 0 241.762 3.230 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])COCc1ccccc1Cl ZINC000028521702 171396849 /nfs/dbraw/zinc/39/68/49/171396849.db2.gz BDXNMLNKKOYHMD-GXFFZTMASA-N 1 0 241.762 3.230 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])COCc1cccc(Cl)c1 ZINC000028521707 171396375 /nfs/dbraw/zinc/39/63/75/171396375.db2.gz MVPWWBGOWBSINT-GXFFZTMASA-N 1 0 241.762 3.230 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])COCc1ccc(Cl)cc1 ZINC000028521709 170795620 /nfs/dbraw/zinc/79/56/20/170795620.db2.gz XYIWRCRZVUUDQO-ZWNOBZJWSA-N 1 0 241.762 3.230 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])COCc1ccc(Cl)cc1 ZINC000028521712 171396158 /nfs/dbraw/zinc/39/61/58/171396158.db2.gz XYIWRCRZVUUDQO-GXFFZTMASA-N 1 0 241.762 3.230 10 0 BGAERO [NH3+]CCCCOCc1ccc(Cl)c(Cl)c1 ZINC000028522128 181377922 /nfs/dbraw/zinc/37/79/22/181377922.db2.gz NKLFPNDEGWKZQA-UHFFFAOYSA-N 1 0 248.153 3.249 10 0 BGAERO [NH3+]CCCCOCc1ccc(Cl)cc1Cl ZINC000028522131 181377937 /nfs/dbraw/zinc/37/79/37/181377937.db2.gz OACYCZJBLKFDHT-UHFFFAOYSA-N 1 0 248.153 3.249 10 0 BGAERO [NH3+]CCCCOCc1c(Cl)cccc1Cl ZINC000028522133 181377847 /nfs/dbraw/zinc/37/78/47/181377847.db2.gz BNIOHPRKSCCUFR-UHFFFAOYSA-N 1 0 248.153 3.249 10 0 BGAERO C[N@@H+]1CCCCCc2[nH]c3ccccc3c2CC1 ZINC000028567841 187256004 /nfs/dbraw/zinc/25/60/04/187256004.db2.gz MHEDUIZPBANEAM-UHFFFAOYSA-N 1 0 242.366 3.369 10 0 BGAERO c1ccc([C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000028645404 384970520 /nfs/dbraw/zinc/97/05/20/384970520.db2.gz OUZYKKYJPBLWGM-HUUCEWRRSA-N 1 0 215.340 3.419 10 0 in-vivo BGAERO CO[C@@H]1CC[N@@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645425 344380538 /nfs/dbraw/zinc/38/05/38/344380538.db2.gz CCUROSRTZKSORY-BZUAXINKSA-N 1 0 245.366 3.043 10 0 BGAERO CO[C@H]1CC[N@@H+]2CCCC[C@@H]2[C@H]1c1ccccc1 ZINC000028645461 384970703 /nfs/dbraw/zinc/97/07/03/384970703.db2.gz CCUROSRTZKSORY-OWCLPIDISA-N 1 0 245.366 3.043 10 0 BGAERO CCCSc1ccc(C[C@H](C)[NH3+])cc1 ZINC000028651405 169341070 /nfs/dbraw/zinc/34/10/70/169341070.db2.gz HIOIYGZUYPHUTC-JTQLQIEISA-N 1 0 209.358 3.078 10 0 in-vivo BGAERO [NH3+]CCCOc1cccc(Oc2ccccc2)c1 ZINC000028654097 181384873 /nfs/dbraw/zinc/38/48/73/181384873.db2.gz NGRSFOLZDDEKNU-UHFFFAOYSA-N 1 0 243.306 3.207 10 0 BGAERO CCC[N@@H+]1CC[C@@H]2c3ccccc3CC[C@H]21 ZINC000028756694 169207018 /nfs/dbraw/zinc/20/70/18/169207018.db2.gz ANSBSVSYIULXCZ-HUUCEWRRSA-N 1 0 215.340 3.201 10 0 BGAERO c1[nH]c2ccccc2c1CCCC1CC[NH2+]CC1 ZINC000028757561 183437119 /nfs/dbraw/zinc/43/71/19/183437119.db2.gz KQSOHMLYQGFHQS-UHFFFAOYSA-N 1 0 242.366 3.490 10 0 BGAERO CCC[N@@H+]1CC[C@@H]2c3cccc(OC)c3CC[C@H]21 ZINC000028757900 169206151 /nfs/dbraw/zinc/20/61/51/169206151.db2.gz VUKJBNUKLLGULS-UKRRQHHQSA-N 1 0 245.366 3.209 10 0 BGAERO C[NH+]1CCC(CCc2c[nH]c3ccccc23)CC1 ZINC000028758070 344413478 /nfs/dbraw/zinc/41/34/78/344413478.db2.gz AWLCIMZPQABRPU-UHFFFAOYSA-N 1 0 242.366 3.442 10 0 BGAERO Cc1[nH]c2ccccc2c1CCC1CC[NH2+]CC1 ZINC000028758638 177515242 /nfs/dbraw/zinc/51/52/42/177515242.db2.gz SWVNWPJFTQRUEU-UHFFFAOYSA-N 1 0 242.366 3.409 10 0 BGAERO COc1cccc2c1C[C@H]([NH+]1CCCCC1)CC2 ZINC000028762218 175303561 /nfs/dbraw/zinc/30/35/61/175303561.db2.gz HCJYDYHERNLKNX-CQSZACIVSA-N 1 0 245.366 3.038 10 0 BGAERO COc1cccc2c1C[C@@H]([NH+]1CCCCC1)CC2 ZINC000028762219 175303446 /nfs/dbraw/zinc/30/34/46/175303446.db2.gz HCJYDYHERNLKNX-AWEZNQCLSA-N 1 0 245.366 3.038 10 0 BGAERO Cc1[nH+]cc2c(-c3ccccc3)cccn12 ZINC000028765416 180176717 /nfs/dbraw/zinc/17/67/17/180176717.db2.gz FBPCRHGZGHBGGB-UHFFFAOYSA-N 1 0 208.264 3.310 10 0 BGAERO CSc1sc(C(N)=[NH2+])cc1-c1ccccc1 ZINC000028771140 581096695 /nfs/dbraw/zinc/09/66/95/581096695.db2.gz NPTFSUUZGYDTPV-UHFFFAOYSA-N 1 0 248.376 3.421 10 0 BGAERO Cc1ccccc1-c1cccc(CC[NH3+])c1 ZINC000028821767 179237198 /nfs/dbraw/zinc/23/71/98/179237198.db2.gz KQRAKUVQYREATE-UHFFFAOYSA-N 1 0 211.308 3.163 10 0 in-vivo BGAERO C[NH2+]C[C@@H]1C[C@@H]1c1cccc2ccccc21 ZINC000028960191 173371718 /nfs/dbraw/zinc/37/17/18/173371718.db2.gz GUAHRXPLMKTNME-WFASDCNBSA-N 1 0 211.308 3.163 10 0 BGAERO C[NH2+]C[C@H]1C[C@@H]1c1cccc2ccccc21 ZINC000028960195 173382411 /nfs/dbraw/zinc/38/24/11/173382411.db2.gz GUAHRXPLMKTNME-DOMZBBRYSA-N 1 0 211.308 3.163 10 0 BGAERO C[NH2+]C[C@@H]1C[C@H]1c1cccc2ccccc21 ZINC000028960199 173372174 /nfs/dbraw/zinc/37/21/74/173372174.db2.gz GUAHRXPLMKTNME-SWLSCSKDSA-N 1 0 211.308 3.163 10 0 BGAERO C[NH2+]C[C@H]1C[C@H]1c1cccc2ccccc21 ZINC000028960203 173383564 /nfs/dbraw/zinc/38/35/64/173383564.db2.gz GUAHRXPLMKTNME-IUODEOHRSA-N 1 0 211.308 3.163 10 0 BGAERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000028960404 173371660 /nfs/dbraw/zinc/37/16/60/173371660.db2.gz WNXYOSHOVPAGPA-LSDHHAIUSA-N 1 0 211.308 3.163 10 0 BGAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc2ccccc2c1 ZINC000028960408 173382880 /nfs/dbraw/zinc/38/28/80/173382880.db2.gz WNXYOSHOVPAGPA-HUUCEWRRSA-N 1 0 211.308 3.163 10 0 BGAERO C[NH2+]C[C@@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000028960414 173372546 /nfs/dbraw/zinc/37/25/46/173372546.db2.gz WNXYOSHOVPAGPA-GJZGRUSLSA-N 1 0 211.308 3.163 10 0 BGAERO C[NH2+]C[C@H]1C[C@H]1c1ccc2ccccc2c1 ZINC000028960419 173382971 /nfs/dbraw/zinc/38/29/71/173382971.db2.gz WNXYOSHOVPAGPA-CABCVRRESA-N 1 0 211.308 3.163 10 0 BGAERO C[NH2+]Cc1cnc(C)cc1Oc1ccccc1C ZINC000029125286 173392561 /nfs/dbraw/zinc/39/25/61/173392561.db2.gz JPMSOQZFFUMLIX-UHFFFAOYSA-N 1 0 242.322 3.210 10 0 BGAERO c1ccc(C2([NH+]3CCCCC3)CC2)cc1 ZINC000029218407 183387433 /nfs/dbraw/zinc/38/74/33/183387433.db2.gz SJKRDKFSXUKBOP-UHFFFAOYSA-N 1 0 201.313 3.162 10 0 BGAERO COc1cccc([C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000029248572 175289890 /nfs/dbraw/zinc/28/98/90/175289890.db2.gz KSAFAIPHUBIODK-CQSZACIVSA-N 1 0 233.355 3.283 10 0 BGAERO COc1cccc([C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000029248579 175296381 /nfs/dbraw/zinc/29/63/81/175296381.db2.gz KSAFAIPHUBIODK-AWEZNQCLSA-N 1 0 233.355 3.283 10 0 BGAERO COc1cccc([C@@]23CC[C@@H](C2)[N@H+](C)CCC3)c1 ZINC000029249062 175291663 /nfs/dbraw/zinc/29/16/63/175291663.db2.gz NEKUICGVWOZZFZ-HOCLYGCPSA-N 1 0 245.366 3.211 10 0 BGAERO C[C@@H]1C[C@@H]2c3cccc4c3[C@@H](CN4)C[C@H]2[N@H+](C)C1 ZINC000029324176 385255347 /nfs/dbraw/zinc/25/53/47/385255347.db2.gz SABGEBMFVXRDQI-NLRBGTRBSA-N 1 0 242.366 3.023 10 0 BGAERO CCC[N@@H+]1CCC[C@@H]2c3c(O)cccc3CC[C@@H]21 ZINC000029337667 169197821 /nfs/dbraw/zinc/19/78/21/169197821.db2.gz PXQVPBZSEWLGIX-KBPBESRZSA-N 1 0 245.366 3.296 10 0 BGAERO CC=C=CC[N@H+](C)[C@@H](C)c1ccccc1 ZINC000029340476 168191082 /nfs/dbraw/zinc/19/10/82/168191082.db2.gz GZAVCCSXCPNMJG-BZQJZJKOSA-N 1 0 201.313 3.411 10 0 BGAERO CC=C=CC[N@H+](C)[C@H](C)c1ccccc1 ZINC000029340479 168191654 /nfs/dbraw/zinc/19/16/54/168191654.db2.gz GZAVCCSXCPNMJG-VVUQYOEASA-N 1 0 201.313 3.411 10 0 BGAERO CC=C=CC[N@H+](C)[C@@H](C)Cc1ccccc1 ZINC000029340777 344567849 /nfs/dbraw/zinc/56/78/49/344567849.db2.gz MXAOUSZTGFDNKC-JRFFMEPESA-N 1 0 215.340 3.281 10 0 BGAERO CC=C=CC[N@H+](C)[C@H](C)Cc1ccccc1 ZINC000029340780 344567920 /nfs/dbraw/zinc/56/79/20/344567920.db2.gz MXAOUSZTGFDNKC-XJQCMFKWSA-N 1 0 215.340 3.281 10 0 BGAERO [NH2+]=C(Cc1ccc2ccccc2c1)N1CCCC1 ZINC000029405052 181184983 /nfs/dbraw/zinc/18/49/83/181184983.db2.gz IMJXIWKLNZPURF-UHFFFAOYSA-N 1 0 238.334 3.455 10 0 BGAERO CCC[NH2+][C@@H]1C[C@H]2C[C@@H]1c1ccccc12 ZINC000029470123 169283599 /nfs/dbraw/zinc/28/35/99/169283599.db2.gz VGDVQXXSROPFHH-LERXQTSPSA-N 1 0 201.313 3.029 10 0 BGAERO CCC[NH2+][C@H]1C[C@H]2C[C@@H]1c1ccccc12 ZINC000029472646 169292635 /nfs/dbraw/zinc/29/26/35/169292635.db2.gz VGDVQXXSROPFHH-HONMWMINSA-N 1 0 201.313 3.029 10 0 BGAERO C[NH2+][C@@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000029483334 173439707 /nfs/dbraw/zinc/43/97/07/173439707.db2.gz CQAWOEOUYHDAIL-HZPDHXFCSA-N 1 0 223.319 3.483 10 0 BGAERO CCC[N@@H+]1CCC[C@@H]2c3cc(O)ccc3CC[C@H]21 ZINC000029553029 169197689 /nfs/dbraw/zinc/19/76/89/169197689.db2.gz LGRLJXCJYMYBLM-GDBMZVCRSA-N 1 0 245.366 3.296 10 0 BGAERO Fc1ccc2c(c1)[C@H]1C[NH2+][C@@H](C2)c2ccccc21 ZINC000029567745 344673524 /nfs/dbraw/zinc/67/35/24/344673524.db2.gz WSTMLPIHCJDBFV-HOTGVXAUSA-N 1 0 239.293 3.158 10 0 BGAERO Cc1ccc2c(c1)[C@H]1C[NH2+][C@@H](C2)c2ccccc21 ZINC000029568275 344673516 /nfs/dbraw/zinc/67/35/16/344673516.db2.gz JIWKMZXTFUAGMT-IRXDYDNUSA-N 1 0 235.330 3.327 10 0 BGAERO C[NH2+][C@@]12CC=CC[C@@H]1CSc1ccccc12 ZINC000029569863 383999458 /nfs/dbraw/zinc/99/94/58/383999458.db2.gz RWUGKZBKPGNVKR-RISCZKNCSA-N 1 0 231.364 3.173 10 0 BGAERO C[C@@H]1C[C@@H]2CC=CC[C@@]2([NH3+])c2ccccc21 ZINC000029570165 383999203 /nfs/dbraw/zinc/99/92/03/383999203.db2.gz YNGOOJPAPKPVGN-XUJVJEKNSA-N 1 0 213.324 3.314 10 0 BGAERO C[C@@H]1C[C@H]2CC=CC[C@@]2([NH3+])c2ccccc21 ZINC000029570170 176447809 /nfs/dbraw/zinc/44/78/09/176447809.db2.gz YNGOOJPAPKPVGN-JMSVASOKSA-N 1 0 213.324 3.314 10 0 BGAERO C[C@H]1C[C@H]2CC=CC[C@@]2([NH3+])c2ccccc21 ZINC000029570173 177387442 /nfs/dbraw/zinc/38/74/42/177387442.db2.gz YNGOOJPAPKPVGN-ZOWXZIJZSA-N 1 0 213.324 3.314 10 0 BGAERO [NH3+][C@@]12CCCC[C@H]1CCc1sccc12 ZINC000029571635 181604232 /nfs/dbraw/zinc/60/42/32/181604232.db2.gz JKHOQFYUNZFRJC-CABZTGNLSA-N 1 0 207.342 3.039 10 0 BGAERO C[N@@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000030725579 173172366 /nfs/dbraw/zinc/17/23/66/173172366.db2.gz VKRKVLLLTIHDEF-KRWDZBQOSA-N 1 0 237.346 3.458 10 0 in-vitro BGAERO C[N@@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000030725584 173172091 /nfs/dbraw/zinc/17/20/91/173172091.db2.gz VKRKVLLLTIHDEF-QGZVFWFLSA-N 1 0 237.346 3.458 10 0 in-vitro BGAERO c1ccc(C2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000031392473 183388791 /nfs/dbraw/zinc/38/87/91/183388791.db2.gz CHMXTQJRXRJHDG-UHFFFAOYSA-N 1 0 245.366 3.178 10 0 BGAERO CC(C)(C(=[NH2+])c1ccccc1)N1CCCCC1 ZINC000031559601 350159419 /nfs/dbraw/zinc/15/94/19/350159419.db2.gz IXZBKOBYBAENBJ-UHFFFAOYSA-N 1 0 230.355 3.319 10 0 BGAERO c1ccc2c(CC[NH+]3CCCCC3)ccnc2c1 ZINC000031560102 385083509 /nfs/dbraw/zinc/08/35/09/385083509.db2.gz CAVGJYUQAUULQY-UHFFFAOYSA-N 1 0 240.350 3.263 10 0 BGAERO CC(C)c1ccc([C@H]2[NH2+]CCn3cccc32)cc1 ZINC000031889884 352600231 /nfs/dbraw/zinc/60/02/31/352600231.db2.gz PLJYDJWOFNBYNL-MRXNPFEDSA-N 1 0 240.350 3.304 10 0 BGAERO CC(C)Sc1ccc([C@@H](C)[NH3+])s1 ZINC000031893604 167336557 /nfs/dbraw/zinc/33/65/57/167336557.db2.gz AEBRQWHUOGHQMV-SSDOTTSWSA-N 1 0 201.360 3.268 10 0 BGAERO CC(C)Sc1ccc([C@H](C)[NH3+])s1 ZINC000031893607 167337226 /nfs/dbraw/zinc/33/72/26/167337226.db2.gz AEBRQWHUOGHQMV-ZETCQYMHSA-N 1 0 201.360 3.268 10 0 BGAERO [NH3+]CCc1nc2cc(Cl)c(Cl)cc2s1 ZINC000031895461 181413590 /nfs/dbraw/zinc/41/35/90/181413590.db2.gz NVDCJXRIJFZAHA-UHFFFAOYSA-N 1 0 247.150 3.104 10 0 BGAERO Cc1cc(OC[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000031897895 178212279 /nfs/dbraw/zinc/21/22/79/178212279.db2.gz WUUARKKPSHGNSZ-GFCCVEGCSA-N 1 0 227.735 3.011 10 0 BGAERO CC(C)[C@@H]([NH3+])COc1ccc(C(C)(C)C)cc1 ZINC000031897940 167421550 /nfs/dbraw/zinc/42/15/50/167421550.db2.gz ZKIUSVWGDAVMBR-AWEZNQCLSA-N 1 0 235.371 3.346 10 0 BGAERO CC(C)[C@H]([NH3+])COc1ccc(C(C)(C)C)cc1 ZINC000031897945 187765486 /nfs/dbraw/zinc/76/54/86/187765486.db2.gz ZKIUSVWGDAVMBR-CQSZACIVSA-N 1 0 235.371 3.346 10 0 BGAERO CC(C)c1cccc(OC[C@H]([NH3+])C(C)C)c1 ZINC000031898043 167634588 /nfs/dbraw/zinc/63/45/88/167634588.db2.gz UYCRIOOZPLGVGT-AWEZNQCLSA-N 1 0 221.344 3.172 10 0 BGAERO CC(C)[C@@H]([NH3+])COc1ccccc1C(F)(F)F ZINC000031898052 167421070 /nfs/dbraw/zinc/42/10/70/167421070.db2.gz MEOTXGNKHILFHR-JTQLQIEISA-N 1 0 247.260 3.068 10 0 BGAERO CC(C)[C@H]([NH3+])COc1ccccc1C(F)(F)F ZINC000031898057 188110791 /nfs/dbraw/zinc/11/07/91/188110791.db2.gz MEOTXGNKHILFHR-SNVBAGLBSA-N 1 0 247.260 3.068 10 0 BGAERO Cc1cc(OC[C@@H]([NH3+])C(C)(C)C)ccc1Cl ZINC000031898120 178212603 /nfs/dbraw/zinc/21/26/03/178212603.db2.gz CVBIOCVYHJBZJY-GFCCVEGCSA-N 1 0 241.762 3.401 10 0 BGAERO Cc1cc(OC[C@H]([NH3+])C(C)(C)C)ccc1Cl ZINC000031898123 178212471 /nfs/dbraw/zinc/21/24/71/178212471.db2.gz CVBIOCVYHJBZJY-LBPRGKRZSA-N 1 0 241.762 3.401 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])COc1ccc(Cl)cc1 ZINC000031898129 166695791 /nfs/dbraw/zinc/69/57/91/166695791.db2.gz OKVWUXAVSIRWRT-NSHDSACASA-N 1 0 227.735 3.092 10 0 BGAERO CCc1ccccc1OC[C@H]([NH3+])c1ccccc1 ZINC000031898359 171891340 /nfs/dbraw/zinc/89/13/40/171891340.db2.gz KABHZYJKMBIXEW-HNNXBMFYSA-N 1 0 241.334 3.328 10 0 BGAERO CCC(CC)[C@@H]([NH3+])c1cnc2c(C)cccn12 ZINC000031911703 385111461 /nfs/dbraw/zinc/11/14/61/385111461.db2.gz JRAHBRGVAJHAHM-CYBMUJFWSA-N 1 0 231.343 3.079 10 0 BGAERO CCC(CC)[C@H]([NH3+])c1cnc2c(C)cccn12 ZINC000031911707 385111532 /nfs/dbraw/zinc/11/15/32/385111532.db2.gz JRAHBRGVAJHAHM-ZDUSSCGKSA-N 1 0 231.343 3.079 10 0 BGAERO CCCC[C@H]([NH3+])c1cnc2ccc(Cl)cn21 ZINC000031918443 169009510 /nfs/dbraw/zinc/00/95/10/169009510.db2.gz WFCJALMGOMVOTN-JTQLQIEISA-N 1 0 237.734 3.178 10 0 BGAERO [NH3+]Cc1ccc(Cl)c(-c2ccccc2)c1 ZINC000032002845 384554286 /nfs/dbraw/zinc/55/42/86/384554286.db2.gz OSVRRDBRAMYFNZ-UHFFFAOYSA-N 1 0 217.699 3.466 10 0 BGAERO Cc1ccc(N)cc1-c1ccc(C[NH+](C)C)cc1 ZINC000032003149 641707254 /nfs/dbraw/zinc/70/72/54/641707254.db2.gz PXVXRZIAFWTAPN-UHFFFAOYSA-N 1 0 240.350 3.306 10 0 BGAERO Cc1ccc([C@H]([NH3+])C2CCCC2)cc1C ZINC000032010199 352733083 /nfs/dbraw/zinc/73/30/83/352733083.db2.gz BCYFXZYQAUSWFG-CQSZACIVSA-N 1 0 203.329 3.493 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])C1CCCC1 ZINC000032010201 179290259 /nfs/dbraw/zinc/29/02/59/179290259.db2.gz KYTDMIDCXFLKOF-CQSZACIVSA-N 1 0 203.329 3.055 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])C1CCCC1 ZINC000032010203 179292402 /nfs/dbraw/zinc/29/24/02/179292402.db2.gz KYTDMIDCXFLKOF-AWEZNQCLSA-N 1 0 203.329 3.055 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])C2CCCC2)c1 ZINC000032010204 188181915 /nfs/dbraw/zinc/18/19/15/188181915.db2.gz HAXSUOCGGTWBDE-CQSZACIVSA-N 1 0 203.329 3.055 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])C2CCCC2)c1 ZINC000032010206 179105465 /nfs/dbraw/zinc/10/54/65/179105465.db2.gz HAXSUOCGGTWBDE-AWEZNQCLSA-N 1 0 203.329 3.055 10 0 BGAERO Cc1ccc(C[C@H]([NH3+])C2CCCC2)cc1 ZINC000032010209 178651331 /nfs/dbraw/zinc/65/13/31/178651331.db2.gz KQPFSTRQHVTGIW-AWEZNQCLSA-N 1 0 203.329 3.055 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000032010211 343142054 /nfs/dbraw/zinc/14/20/54/343142054.db2.gz PAAMSJPFJXVEGL-AWEZNQCLSA-N 1 0 203.329 3.137 10 0 BGAERO [NH3+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000032010212 343142078 /nfs/dbraw/zinc/14/20/78/343142078.db2.gz PAAMSJPFJXVEGL-CQSZACIVSA-N 1 0 203.329 3.137 10 0 BGAERO CCCNc1ccc([NH+](CC)CC)cc1 ZINC000032011641 169294856 /nfs/dbraw/zinc/29/48/56/169294856.db2.gz CNDBTBRIMOTNAQ-UHFFFAOYSA-N 1 0 206.333 3.355 10 0 BGAERO Cc1cc([C@@H]([NH3+])C2CCCC2)ccc1F ZINC000032011759 178236260 /nfs/dbraw/zinc/23/62/60/178236260.db2.gz XMHJMTPGRXEJMR-ZDUSSCGKSA-N 1 0 207.292 3.324 10 0 BGAERO Cc1cc([C@H]([NH3+])C2CCCC2)ccc1F ZINC000032011760 178262477 /nfs/dbraw/zinc/26/24/77/178262477.db2.gz XMHJMTPGRXEJMR-CYBMUJFWSA-N 1 0 207.292 3.324 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC(C)C)cc1C ZINC000032011851 175179649 /nfs/dbraw/zinc/17/96/49/175179649.db2.gz QKOMQYMTBQHQES-LBPRGKRZSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc([C@H]([NH3+])CC(C)C)cc1C ZINC000032011852 175192006 /nfs/dbraw/zinc/19/20/06/175192006.db2.gz QKOMQYMTBQHQES-GFCCVEGCSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])CC(C)C ZINC000032011853 175079769 /nfs/dbraw/zinc/07/97/69/175079769.db2.gz ODMSSWNRIPTATR-LBPRGKRZSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])CC(C)C ZINC000032011854 175082309 /nfs/dbraw/zinc/08/23/09/175082309.db2.gz ODMSSWNRIPTATR-GFCCVEGCSA-N 1 0 207.317 3.050 10 0 BGAERO Cc1ccc(C)c(-c2ccc(C[NH3+])cc2)c1 ZINC000032012574 178459509 /nfs/dbraw/zinc/45/95/09/178459509.db2.gz JNOHGMZCQWFAOC-UHFFFAOYSA-N 1 0 211.308 3.429 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])C1CCCCC1 ZINC000032013217 179289624 /nfs/dbraw/zinc/28/96/24/179289624.db2.gz CBROCMLTMAYDOP-OAHLLOKOSA-N 1 0 217.356 3.445 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])C1CCCCC1 ZINC000032013218 179292259 /nfs/dbraw/zinc/29/22/59/179292259.db2.gz CBROCMLTMAYDOP-HNNXBMFYSA-N 1 0 217.356 3.445 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])C2CCCCC2)c1 ZINC000032013220 179106086 /nfs/dbraw/zinc/10/60/86/179106086.db2.gz NHNBSAAKZJBYBX-HNNXBMFYSA-N 1 0 217.356 3.445 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])C1CCCCC1 ZINC000032013494 175347926 /nfs/dbraw/zinc/34/79/26/175347926.db2.gz HMADMNVWPKTNJM-AWEZNQCLSA-N 1 0 219.328 3.275 10 0 BGAERO COc1ccccc1[C@H]([NH3+])C1CCCCC1 ZINC000032013495 175353260 /nfs/dbraw/zinc/35/32/60/175353260.db2.gz HMADMNVWPKTNJM-CQSZACIVSA-N 1 0 219.328 3.275 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])C1CCCC1 ZINC000032013496 175079938 /nfs/dbraw/zinc/07/99/38/175079938.db2.gz ZYMJGWRXDKHPBC-AWEZNQCLSA-N 1 0 219.328 3.194 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])C1CCCC1 ZINC000032013497 175082131 /nfs/dbraw/zinc/08/21/31/175082131.db2.gz ZYMJGWRXDKHPBC-CQSZACIVSA-N 1 0 219.328 3.194 10 0 BGAERO [NH3+][C@H](Cc1ccccc1F)C1CCCCC1 ZINC000032013997 181626990 /nfs/dbraw/zinc/62/69/90/181626990.db2.gz WKUCFWCIGXVTFE-CQSZACIVSA-N 1 0 221.319 3.276 10 0 BGAERO [NH3+][C@H](Cc1cccc(F)c1)C1CCCCC1 ZINC000032013999 181626250 /nfs/dbraw/zinc/62/62/50/181626250.db2.gz VIYKMCNXFWIIKS-CQSZACIVSA-N 1 0 221.319 3.276 10 0 BGAERO [NH3+][C@H](Cc1ccc(F)cc1)C1CCCCC1 ZINC000032014001 181624846 /nfs/dbraw/zinc/62/48/46/181624846.db2.gz NGURMXQMOYKKEQ-CQSZACIVSA-N 1 0 221.319 3.276 10 0 BGAERO C[C@H]([NH3+])CCOc1cccc(C(C)(C)C)c1 ZINC000032014102 176759703 /nfs/dbraw/zinc/75/97/03/176759703.db2.gz ONKDEBJMDDBOTF-NSHDSACASA-N 1 0 221.344 3.100 10 0 BGAERO CC[C@H]([NH3+])CCOc1cccc(C(C)C)c1 ZINC000032014106 171483983 /nfs/dbraw/zinc/48/39/83/171483983.db2.gz ISNHEUHNIFEFGJ-ZDUSSCGKSA-N 1 0 221.344 3.316 10 0 BGAERO CCc1cccc(OCC[C@H]([NH3+])C(C)C)c1 ZINC000032014118 171866263 /nfs/dbraw/zinc/86/62/63/171866263.db2.gz YUXXPOOJWNVQNB-AWEZNQCLSA-N 1 0 221.344 3.001 10 0 BGAERO CCc1ccc(OCC[C@H]([NH3+])C(C)C)cc1 ZINC000032014120 187256273 /nfs/dbraw/zinc/25/62/73/187256273.db2.gz MKBGERXPGAZHKG-AWEZNQCLSA-N 1 0 221.344 3.001 10 0 BGAERO [NH3+][C@H](Cc1ccccc1Cl)C1CCCC1 ZINC000032014707 181627287 /nfs/dbraw/zinc/62/72/87/181627287.db2.gz WWEQAEZXXCQTAO-CYBMUJFWSA-N 1 0 223.747 3.400 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)C1CCCC1 ZINC000032014710 181553679 /nfs/dbraw/zinc/55/36/79/181553679.db2.gz NNDVUTILZSCSED-ZDUSSCGKSA-N 1 0 223.747 3.400 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])cc2)cc1C ZINC000032015372 175032790 /nfs/dbraw/zinc/03/27/90/175032790.db2.gz JMXVNWLACJEVDB-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])cc2)c(C)c1 ZINC000032015373 175033266 /nfs/dbraw/zinc/03/32/66/175033266.db2.gz KAZPPENWUDLHFM-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Oc2ccccc2)cc1 ZINC000032015392 178856050 /nfs/dbraw/zinc/85/60/50/178856050.db2.gz PMBCRRPHSOTMPT-OAHLLOKOSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1cc(OCC[C@@H](C)[NH3+])cc(C)c1Cl ZINC000032015503 178211590 /nfs/dbraw/zinc/21/15/90/178211590.db2.gz YVIVWXZTYNHMLS-SNVBAGLBSA-N 1 0 227.735 3.073 10 0 BGAERO Cc1cc(OCC[C@H](C)[NH3+])cc(C)c1Cl ZINC000032015504 178211332 /nfs/dbraw/zinc/21/13/32/178211332.db2.gz YVIVWXZTYNHMLS-JTQLQIEISA-N 1 0 227.735 3.073 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000032015868 181554254 /nfs/dbraw/zinc/55/42/54/181554254.db2.gz IAGNZSDOVSGTDN-NSHDSACASA-N 1 0 230.138 3.273 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000032015870 181554197 /nfs/dbraw/zinc/55/41/97/181554197.db2.gz XRHDWQLNNUKUDR-NSHDSACASA-N 1 0 230.138 3.273 10 0 BGAERO [NH3+][C@H](Cc1ccc(Cl)cc1Cl)C1CC1 ZINC000032015871 352741024 /nfs/dbraw/zinc/74/10/24/352741024.db2.gz XRHDWQLNNUKUDR-LLVKDONJSA-N 1 0 230.138 3.273 10 0 BGAERO c1cc(OC2CCCC2)ccc1C[NH2+]C1CC1 ZINC000032016097 183358917 /nfs/dbraw/zinc/35/89/17/183358917.db2.gz VOSNTODGUPDKDP-UHFFFAOYSA-N 1 0 231.339 3.260 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)CCc1ccccc1 ZINC000032022240 169151267 /nfs/dbraw/zinc/15/12/67/169151267.db2.gz JZZCUTZUAGOPRN-MRXNPFEDSA-N 1 0 248.414 3.069 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)CCc1ccccc1 ZINC000032022243 169151834 /nfs/dbraw/zinc/15/18/34/169151834.db2.gz JZZCUTZUAGOPRN-INIZCTEOSA-N 1 0 248.414 3.069 10 0 BGAERO CC[NH2+]CCOc1c(C)cccc1C(C)(C)C ZINC000032025060 170116446 /nfs/dbraw/zinc/11/64/46/170116446.db2.gz KNRXBUDUMMUOJG-UHFFFAOYSA-N 1 0 235.371 3.281 10 0 BGAERO CC(C)[C@@H]([NH3+])C(=O)c1ccc(C(C)(C)C)cc1 ZINC000032089717 167419499 /nfs/dbraw/zinc/41/94/99/167419499.db2.gz QRUHIHHOHVSJRZ-CYBMUJFWSA-N 1 0 233.355 3.150 10 0 BGAERO CCCC[C@@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000032099109 168977215 /nfs/dbraw/zinc/97/72/15/168977215.db2.gz JSGZZUYMFCLWLL-ZDUSSCGKSA-N 1 0 249.354 3.081 10 0 BGAERO CCCC[C@H]1[NH2+]CCc2cc(OC)c(OC)cc21 ZINC000032099110 169015246 /nfs/dbraw/zinc/01/52/46/169015246.db2.gz JSGZZUYMFCLWLL-CYBMUJFWSA-N 1 0 249.354 3.081 10 0 BGAERO CC(C)COc1ccc(C[C@@H]2CCCC[NH2+]2)cc1 ZINC000032099148 385131680 /nfs/dbraw/zinc/13/16/80/385131680.db2.gz NQWCJLHKCCWEEO-HNNXBMFYSA-N 1 0 247.382 3.406 10 0 BGAERO CC(C)COc1ccc(C[C@H]2CCCC[NH2+]2)cc1 ZINC000032099149 343229093 /nfs/dbraw/zinc/22/90/93/343229093.db2.gz NQWCJLHKCCWEEO-OAHLLOKOSA-N 1 0 247.382 3.406 10 0 BGAERO Cc1cc(N)c2c(Cl)ccc(C)c2[nH+]1 ZINC000032099402 178103457 /nfs/dbraw/zinc/10/34/57/178103457.db2.gz IMSZFAGLTGEEJY-UHFFFAOYSA-N 1 0 206.676 3.087 10 0 BGAERO Cc1cc(N)c2cc(Cl)cc(C)c2[nH+]1 ZINC000032099410 178104057 /nfs/dbraw/zinc/10/40/57/178104057.db2.gz IPOIRDZLFFYDGX-UHFFFAOYSA-N 1 0 206.676 3.087 10 0 BGAERO Cc1cc(Cl)c2[nH+]c(C)cc(N)c2c1 ZINC000032099440 178062614 /nfs/dbraw/zinc/06/26/14/178062614.db2.gz AYANOFUQUNPWCS-UHFFFAOYSA-N 1 0 206.676 3.087 10 0 BGAERO Cc1cc(OCC[NH2+]C(C)C)cc(C)c1Cl ZINC000032100041 178211621 /nfs/dbraw/zinc/21/16/21/178211621.db2.gz YRLWRERUJYEPAB-UHFFFAOYSA-N 1 0 241.762 3.334 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Oc2ccccc2F)cc1 ZINC000032102111 178855781 /nfs/dbraw/zinc/85/57/81/178855781.db2.gz BNGYWRZWTXKICQ-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Oc2cccc(F)c2)cc1 ZINC000032102113 178855506 /nfs/dbraw/zinc/85/55/06/178855506.db2.gz UEECIFVBZOVXQY-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Oc2ccc(F)cc2)cc1 ZINC000032102115 178855649 /nfs/dbraw/zinc/85/56/49/178855649.db2.gz FNXBIVNHSQBQNT-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1sc(C[C@@H](C)[NH3+])nc1-c1ccc(C)cc1 ZINC000032102643 178336398 /nfs/dbraw/zinc/33/63/98/178336398.db2.gz NQCKCSCQKWGNLQ-SNVBAGLBSA-N 1 0 246.379 3.317 10 0 BGAERO Cc1sc(C[C@H](C)[NH3+])nc1-c1ccc(C)cc1 ZINC000032102645 178335740 /nfs/dbraw/zinc/33/57/40/178335740.db2.gz NQCKCSCQKWGNLQ-JTQLQIEISA-N 1 0 246.379 3.317 10 0 BGAERO Cc1ccccc1C[N@H+](CCN)C1CCCCC1 ZINC000032102657 179272349 /nfs/dbraw/zinc/27/23/49/179272349.db2.gz VZCCGNMDRNVIMV-UHFFFAOYSA-N 1 0 246.398 3.088 10 0 BGAERO Cc1cccc(C[N@H+](CCN)C2CCCCC2)c1 ZINC000032102659 179071446 /nfs/dbraw/zinc/07/14/46/179071446.db2.gz QYXFQYUGMSHYQW-UHFFFAOYSA-N 1 0 246.398 3.088 10 0 BGAERO Clc1cccc(CC[NH2+]Cc2ccccn2)c1 ZINC000032102702 343229618 /nfs/dbraw/zinc/22/96/18/343229618.db2.gz QWCBTHLNVXAWCT-UHFFFAOYSA-N 1 0 246.741 3.067 10 0 BGAERO C[C@@H]([NH2+]C[C@H](O)c1cccs1)c1ccccc1 ZINC000032103018 187937804 /nfs/dbraw/zinc/93/78/04/187937804.db2.gz TWLXGFSWLPWMJS-YPMHNXCESA-N 1 0 247.363 3.132 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2cccs2)c1C ZINC000032103072 179174436 /nfs/dbraw/zinc/17/44/36/179174436.db2.gz YUCVTIJJVMABNN-ZDUSSCGKSA-N 1 0 247.363 3.444 10 0 BGAERO CC(C)c1ccc([C@@H](O)C[NH2+]C2CCCC2)cc1 ZINC000032103140 167614308 /nfs/dbraw/zinc/61/43/08/167614308.db2.gz QSFSNEJEULHXPC-INIZCTEOSA-N 1 0 247.382 3.376 10 0 BGAERO CC[C@@](O)(C[NH2+]C1CC1)c1ccc(C(C)C)cc1 ZINC000032103180 171195108 /nfs/dbraw/zinc/19/51/08/171195108.db2.gz HKZJSVVXCOTRBY-MRXNPFEDSA-N 1 0 247.382 3.160 10 0 BGAERO CC[C@](O)(C[NH2+]C1CC1)c1ccc(C(C)C)cc1 ZINC000032103182 171710096 /nfs/dbraw/zinc/71/00/96/171710096.db2.gz HKZJSVVXCOTRBY-INIZCTEOSA-N 1 0 247.382 3.160 10 0 BGAERO CC(C)(C)c1cccc(OCC[C@@H]([NH3+])C2CC2)c1 ZINC000032103269 187256342 /nfs/dbraw/zinc/25/63/42/187256342.db2.gz ZGVXJFXFCWAKAS-OAHLLOKOSA-N 1 0 247.382 3.490 10 0 BGAERO CC(C)[NH2+]CCOc1c(Cl)cccc1Cl ZINC000032103452 167108770 /nfs/dbraw/zinc/10/87/70/167108770.db2.gz ILTUJUAFHWWXCF-UHFFFAOYSA-N 1 0 248.153 3.370 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000032104852 188284231 /nfs/dbraw/zinc/28/42/31/188284231.db2.gz MYYIYBGRBSYECX-CABCVRRESA-N 1 0 249.398 3.391 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000032104857 188284137 /nfs/dbraw/zinc/28/41/37/188284137.db2.gz MYYIYBGRBSYECX-LSDHHAIUSA-N 1 0 249.398 3.391 10 0 BGAERO CC(C)[NH2+]C[C@@](C)(O)c1ccc(C(C)(C)C)cc1 ZINC000032104863 167113934 /nfs/dbraw/zinc/11/39/34/167113934.db2.gz UAMQECPTPJUDRR-MRXNPFEDSA-N 1 0 249.398 3.190 10 0 BGAERO CC(C)[NH2+]C[C@](C)(O)c1ccc(C(C)(C)C)cc1 ZINC000032104865 167116725 /nfs/dbraw/zinc/11/67/25/167116725.db2.gz UAMQECPTPJUDRR-INIZCTEOSA-N 1 0 249.398 3.190 10 0 BGAERO CC[NH2+]C[C@@](O)(CC)c1ccc(C(C)(C)C)cc1 ZINC000032104871 170120782 /nfs/dbraw/zinc/12/07/82/170120782.db2.gz OAKHLQHGFZJLLU-INIZCTEOSA-N 1 0 249.398 3.191 10 0 BGAERO CC[NH2+]C[C@](O)(CC)c1ccc(C(C)(C)C)cc1 ZINC000032104873 170123836 /nfs/dbraw/zinc/12/38/36/170123836.db2.gz OAKHLQHGFZJLLU-MRXNPFEDSA-N 1 0 249.398 3.191 10 0 BGAERO CC[NH2+]C[C@](O)(c1ccc(C(C)C)cc1)C(C)C ZINC000032104875 170123572 /nfs/dbraw/zinc/12/35/72/170123572.db2.gz IGXDHFLACOPPCS-MRXNPFEDSA-N 1 0 249.398 3.263 10 0 BGAERO CC[NH2+]C[C@@](O)(c1ccc(C(C)C)cc1)C(C)C ZINC000032104878 170121248 /nfs/dbraw/zinc/12/12/48/170121248.db2.gz IGXDHFLACOPPCS-INIZCTEOSA-N 1 0 249.398 3.263 10 0 BGAERO CC(C)(C)[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000032104881 166634070 /nfs/dbraw/zinc/63/40/70/166634070.db2.gz MXEWBIMMZSDMHS-CQSZACIVSA-N 1 0 249.398 3.406 10 0 BGAERO CCCC[C@H]1C(=O)CCC[C@]12CCCC[NH2+]2 ZINC000032221389 345757254 /nfs/dbraw/zinc/75/72/54/345757254.db2.gz QSDZSNVEJVVROA-GXTWGEPZSA-N 1 0 223.360 3.058 10 0 BGAERO c1ccc([C@@H]2C[NH+]=Cc3ccccc32)cc1 ZINC000032237135 345739661 /nfs/dbraw/zinc/73/96/61/345739661.db2.gz PQKKAOHDVLDMOM-HNNXBMFYSA-N 1 0 207.276 3.251 10 0 BGAERO c1ccc([C@H]2C[NH+]=Cc3ccccc32)cc1 ZINC000032237137 345739564 /nfs/dbraw/zinc/73/95/64/345739564.db2.gz PQKKAOHDVLDMOM-OAHLLOKOSA-N 1 0 207.276 3.251 10 0 BGAERO C[N@@H+]1CCC[C@@H]1c1cncc2ccccc21 ZINC000032299932 372175874 /nfs/dbraw/zinc/17/58/74/372175874.db2.gz WZXWUONPVFWFNV-CQSZACIVSA-N 1 0 212.296 3.002 10 0 BGAERO [NH3+]CCn1c(-c2ccccc2)cc2ccccc21 ZINC000032500126 134601118 /nfs/dbraw/zinc/60/11/18/134601118.db2.gz JNLZXAUGOUZTCD-UHFFFAOYSA-N 1 0 236.318 3.267 10 0 BGAERO [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000032500989 363837481 /nfs/dbraw/zinc/83/74/81/363837481.db2.gz QHVKSSQVEABZAP-HNNXBMFYSA-N 1 0 236.318 3.410 10 0 BGAERO [NH3+][C@H](Cc1c[nH]c2ccccc12)c1ccccc1 ZINC000032500990 181623401 /nfs/dbraw/zinc/62/34/01/181623401.db2.gz QHVKSSQVEABZAP-OAHLLOKOSA-N 1 0 236.318 3.410 10 0 BGAERO C[C@@H](CCCC(C)(C)O)[NH2+]C1CCCCC1 ZINC000032523735 175662575 /nfs/dbraw/zinc/66/25/75/175662575.db2.gz IILOBVRLAKFGBN-LBPRGKRZSA-N 1 0 227.392 3.238 10 0 BGAERO C[C@H](CCCC(C)(C)O)[NH2+]C1CCCCC1 ZINC000032523736 372201159 /nfs/dbraw/zinc/20/11/59/372201159.db2.gz IILOBVRLAKFGBN-GFCCVEGCSA-N 1 0 227.392 3.238 10 0 BGAERO CCC(CC)(c1cccs1)[NH+]1CCOCC1 ZINC000032602575 168332864 /nfs/dbraw/zinc/33/28/64/168332864.db2.gz TVEAOMRVPPGQSM-UHFFFAOYSA-N 1 0 239.384 3.096 10 0 BGAERO C[C@@H]1CCC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC000033421600 176124995 /nfs/dbraw/zinc/12/49/95/176124995.db2.gz QAKLFHOVCOVZHB-DGCLKSJQSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCC[C@@H](Oc2cccc(C[NH3+])c2)C1 ZINC000033421601 177123500 /nfs/dbraw/zinc/12/35/00/177123500.db2.gz QAKLFHOVCOVZHB-WCQYABFASA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H]1CCC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC000033421602 176146412 /nfs/dbraw/zinc/14/64/12/176146412.db2.gz QAKLFHOVCOVZHB-YPMHNXCESA-N 1 0 219.328 3.103 10 0 BGAERO C[C@H]1CCC[C@H](Oc2cccc(C[NH3+])c2)C1 ZINC000033421603 177139428 /nfs/dbraw/zinc/13/94/28/177139428.db2.gz QAKLFHOVCOVZHB-AAEUAGOBSA-N 1 0 219.328 3.103 10 0 BGAERO C[C@@H]1CCC[C@@H](Oc2ccccc2CC[NH3+])C1 ZINC000033424845 176125088 /nfs/dbraw/zinc/12/50/88/176125088.db2.gz ICSLAZQHGSQAIT-TZMCWYRMSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@H]1CCC[C@@H](Oc2ccccc2CC[NH3+])C1 ZINC000033424846 177123647 /nfs/dbraw/zinc/12/36/47/177123647.db2.gz ICSLAZQHGSQAIT-GXTWGEPZSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@@H]1CCC[C@H](Oc2ccccc2CC[NH3+])C1 ZINC000033424847 176146319 /nfs/dbraw/zinc/14/63/19/176146319.db2.gz ICSLAZQHGSQAIT-OCCSQVGLSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@H]1CCC[C@H](Oc2ccccc2CC[NH3+])C1 ZINC000033424848 177138861 /nfs/dbraw/zinc/13/88/61/177138861.db2.gz ICSLAZQHGSQAIT-JSGCOSHPSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@@H]1CCC[C@@H](Oc2cccc(CC[NH3+])c2)C1 ZINC000033424903 176124978 /nfs/dbraw/zinc/12/49/78/176124978.db2.gz ZDVRIRFKPBVWSN-TZMCWYRMSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@H]1CCC[C@@H](Oc2cccc(CC[NH3+])c2)C1 ZINC000033424904 177123654 /nfs/dbraw/zinc/12/36/54/177123654.db2.gz ZDVRIRFKPBVWSN-GXTWGEPZSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@@H]1CCC[C@H](Oc2cccc(CC[NH3+])c2)C1 ZINC000033424905 176146294 /nfs/dbraw/zinc/14/62/94/176146294.db2.gz ZDVRIRFKPBVWSN-OCCSQVGLSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@H]1CCC[C@H](Oc2cccc(CC[NH3+])c2)C1 ZINC000033424906 177139146 /nfs/dbraw/zinc/13/91/46/177139146.db2.gz ZDVRIRFKPBVWSN-JSGCOSHPSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@@H]1CCC[C@@H](Oc2ccc(CC[NH3+])cc2)C1 ZINC000033424951 176124947 /nfs/dbraw/zinc/12/49/47/176124947.db2.gz CTWHSCLGERHJAX-IUODEOHRSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@H]1CCC[C@@H](Oc2ccc(CC[NH3+])cc2)C1 ZINC000033424952 177123397 /nfs/dbraw/zinc/12/33/97/177123397.db2.gz CTWHSCLGERHJAX-SWLSCSKDSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@@H]1CCC[C@H](Oc2ccc(CC[NH3+])cc2)C1 ZINC000033424953 176146368 /nfs/dbraw/zinc/14/63/68/176146368.db2.gz CTWHSCLGERHJAX-DOMZBBRYSA-N 1 0 233.355 3.145 10 0 BGAERO C[C@H]1CCC[C@H](Oc2ccc(CC[NH3+])cc2)C1 ZINC000033424954 177138453 /nfs/dbraw/zinc/13/84/53/177138453.db2.gz CTWHSCLGERHJAX-WFASDCNBSA-N 1 0 233.355 3.145 10 0 BGAERO Cc1ccc(-c2ccc(CC[NH3+])cc2)cc1 ZINC000033427114 178324518 /nfs/dbraw/zinc/32/45/18/178324518.db2.gz SVWPBAPOQQSFBZ-UHFFFAOYSA-N 1 0 211.308 3.163 10 0 BGAERO Cc1ccc(-c2cccc(CC[NH3+])c2)cc1 ZINC000033427115 178326937 /nfs/dbraw/zinc/32/69/37/178326937.db2.gz FOPQEOONDVKVNY-UHFFFAOYSA-N 1 0 211.308 3.163 10 0 BGAERO Cc1cccc(-c2cccc(CC[NH3+])c2)c1 ZINC000033427148 584119094 /nfs/dbraw/zinc/11/90/94/584119094.db2.gz SGSOBXHUALTWGO-UHFFFAOYSA-N 1 0 211.308 3.163 10 0 BGAERO [NH3+]Cc1cccc(-c2cc(F)ccc2F)c1 ZINC000033427474 181487827 /nfs/dbraw/zinc/48/78/27/181487827.db2.gz YNIOPNROSGVFIB-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO COc1ccc(C)cc1-c1cccc(C[NH3+])c1 ZINC000033427574 175072521 /nfs/dbraw/zinc/07/25/21/175072521.db2.gz BCFSSLJPGMINJY-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO COc1ccc(C)cc1-c1ccc(C[NH3+])cc1 ZINC000033427575 175072465 /nfs/dbraw/zinc/07/24/65/175072465.db2.gz ZLPZQBGDAJUBJU-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO C[NH+](C)Cc1cccc(-c2cccc(C=O)c2)c1 ZINC000033427922 642142206 /nfs/dbraw/zinc/14/22/06/642142206.db2.gz GMBYKRVQMLUWEA-UHFFFAOYSA-N 1 0 239.318 3.228 10 0 BGAERO C[NH+](C)Cc1ccc(-c2ccc(C=O)cc2)cc1 ZINC000033427944 642142017 /nfs/dbraw/zinc/14/20/17/642142017.db2.gz XCMSIYNFSZZSDB-UHFFFAOYSA-N 1 0 239.318 3.228 10 0 BGAERO COc1ccc(Cl)cc1-c1cccc(C[NH3+])c1 ZINC000033428031 175119544 /nfs/dbraw/zinc/11/95/44/175119544.db2.gz PETDWLQSOQNNGV-UHFFFAOYSA-N 1 0 247.725 3.474 10 0 BGAERO COc1ccc(Cl)cc1-c1ccc(C[NH3+])cc1 ZINC000033428032 175119744 /nfs/dbraw/zinc/11/97/44/175119744.db2.gz XFNKFVVSXVJLSU-UHFFFAOYSA-N 1 0 247.725 3.474 10 0 BGAERO COc1ccc(-c2cccc(C[NH3+])c2)cc1Cl ZINC000033428048 175034018 /nfs/dbraw/zinc/03/40/18/175034018.db2.gz RZXGFNWAKUYEEA-UHFFFAOYSA-N 1 0 247.725 3.474 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])cc2)cc1Cl ZINC000033428049 175033232 /nfs/dbraw/zinc/03/32/32/175033232.db2.gz GYMPJOVGEWJYIN-UHFFFAOYSA-N 1 0 247.725 3.474 10 0 BGAERO [NH3+]Cc1cccc(-c2ccc3ccccc3n2)c1 ZINC000033428595 181488373 /nfs/dbraw/zinc/48/83/73/181488373.db2.gz HLENXHBXLQGHSK-UHFFFAOYSA-N 1 0 234.302 3.361 10 0 BGAERO [NH3+]Cc1ccc(-c2ccc3ncccc3c2)cc1 ZINC000033428611 181480034 /nfs/dbraw/zinc/48/00/34/181480034.db2.gz GJZPIQYYZFTPCR-UHFFFAOYSA-N 1 0 234.302 3.361 10 0 BGAERO [NH3+]Cc1cccc(-c2cccc3cccnc32)c1 ZINC000033428794 181488260 /nfs/dbraw/zinc/48/82/60/181488260.db2.gz WMMMHTFWUFRFQN-UHFFFAOYSA-N 1 0 234.302 3.361 10 0 BGAERO CCCCCOc1cccc(C[NH2+]CC)c1 ZINC000033433580 168730785 /nfs/dbraw/zinc/73/07/85/168730785.db2.gz LOSKOPDXHFKKLX-UHFFFAOYSA-N 1 0 221.344 3.365 10 0 BGAERO CC[NH2+]CCCOc1cc(C)c(Cl)c(C)c1 ZINC000033434738 170112621 /nfs/dbraw/zinc/11/26/21/170112621.db2.gz TXOQPVUZNDJZFO-UHFFFAOYSA-N 1 0 241.762 3.335 10 0 BGAERO CC[NH2+]CCCOc1c(Cl)cccc1Cl ZINC000033435106 170112261 /nfs/dbraw/zinc/11/22/61/170112261.db2.gz GXMUAYGJIGPBAM-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CC[NH2+]CCCOc1ccc(Cl)c(Cl)c1 ZINC000033435107 170112328 /nfs/dbraw/zinc/11/23/28/170112328.db2.gz LHIWOFCBEXHOKH-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CC[NH2+]CCCOc1cc(Cl)cc(Cl)c1 ZINC000033435108 170112543 /nfs/dbraw/zinc/11/25/43/170112543.db2.gz RNUHEUXBLCBRTM-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO Cc1ccccc1O[C@@H](C[NH3+])c1cccs1 ZINC000033464924 179312594 /nfs/dbraw/zinc/31/25/94/179312594.db2.gz XEIXAODJLRCPGV-LBPRGKRZSA-N 1 0 233.336 3.135 10 0 BGAERO Cc1ccccc1O[C@H](C[NH3+])c1cccs1 ZINC000033464925 179313773 /nfs/dbraw/zinc/31/37/73/179313773.db2.gz XEIXAODJLRCPGV-GFCCVEGCSA-N 1 0 233.336 3.135 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2cccs2)c1 ZINC000033464926 179174513 /nfs/dbraw/zinc/17/45/13/179174513.db2.gz DXEFRJQPEXBJLL-LBPRGKRZSA-N 1 0 233.336 3.135 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)O1 ZINC000033464961 176329063 /nfs/dbraw/zinc/32/90/63/176329063.db2.gz AYTBXZVDBONMFN-RISCZKNCSA-N 1 0 233.355 3.034 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(C(C)(C)C)cc2)O1 ZINC000033464962 177285866 /nfs/dbraw/zinc/28/58/66/177285866.db2.gz AYTBXZVDBONMFN-FZMZJTMJSA-N 1 0 233.355 3.034 10 0 BGAERO CC(C)c1cccc(OCC[C@@H]([NH3+])C2CC2)c1 ZINC000033465035 167635048 /nfs/dbraw/zinc/63/50/48/167635048.db2.gz IGNNGCUXFOLPAB-OAHLLOKOSA-N 1 0 233.355 3.316 10 0 BGAERO Cc1cccc(OCC[C@@H]([NH3+])C2CCCC2)c1 ZINC000033465047 179169084 /nfs/dbraw/zinc/16/90/84/179169084.db2.gz QEFOQUXXJBIAHQ-OAHLLOKOSA-N 1 0 233.355 3.281 10 0 BGAERO Cc1cccc(OCC[C@H]([NH3+])C2CCCC2)c1 ZINC000033465048 179170102 /nfs/dbraw/zinc/17/01/02/179170102.db2.gz QEFOQUXXJBIAHQ-HNNXBMFYSA-N 1 0 233.355 3.281 10 0 BGAERO [NH3+][C@@H](CCOc1ccccc1)C1CCCCC1 ZINC000033465051 181545002 /nfs/dbraw/zinc/54/50/02/181545002.db2.gz SABMEJVHMPDGRG-HNNXBMFYSA-N 1 0 233.355 3.363 10 0 BGAERO CC(C)C[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000033465572 167007262 /nfs/dbraw/zinc/00/72/62/167007262.db2.gz NJRVMDBYURKUOK-OAHLLOKOSA-N 1 0 235.371 3.089 10 0 BGAERO CC(C)C[NH2+]C[C@H](O)c1ccc(C(C)C)cc1 ZINC000033465573 167006504 /nfs/dbraw/zinc/00/65/04/167006504.db2.gz NJRVMDBYURKUOK-HNNXBMFYSA-N 1 0 235.371 3.089 10 0 BGAERO CC[C@@H](C)[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000033465574 170752408 /nfs/dbraw/zinc/75/24/08/170752408.db2.gz NYHMDOANIXJRHH-IUODEOHRSA-N 1 0 235.371 3.232 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000033465575 171341159 /nfs/dbraw/zinc/34/11/59/171341159.db2.gz NYHMDOANIXJRHH-SWLSCSKDSA-N 1 0 235.371 3.232 10 0 BGAERO CC[C@@H](C)[NH2+]C[C@H](O)c1ccc(C(C)C)cc1 ZINC000033465576 170752737 /nfs/dbraw/zinc/75/27/37/170752737.db2.gz NYHMDOANIXJRHH-DOMZBBRYSA-N 1 0 235.371 3.232 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](O)c1ccc(C(C)C)cc1 ZINC000033465577 171342173 /nfs/dbraw/zinc/34/21/73/171342173.db2.gz NYHMDOANIXJRHH-WFASDCNBSA-N 1 0 235.371 3.232 10 0 BGAERO CCC[NH2+]C[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000033465578 169262118 /nfs/dbraw/zinc/26/21/18/169262118.db2.gz BBONIIBWGKNVHQ-CQSZACIVSA-N 1 0 235.371 3.017 10 0 BGAERO CCC[NH2+]C[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000033465579 169264653 /nfs/dbraw/zinc/26/46/53/169264653.db2.gz BBONIIBWGKNVHQ-AWEZNQCLSA-N 1 0 235.371 3.017 10 0 BGAERO CC(C)[C@H]([NH3+])[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000033465584 344757960 /nfs/dbraw/zinc/75/79/60/344757960.db2.gz HLTWWSNIFVAWOM-KBPBESRZSA-N 1 0 235.371 3.001 10 0 BGAERO CC(C)[C@H]([NH3+])[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000033465586 344758182 /nfs/dbraw/zinc/75/81/82/344758182.db2.gz HLTWWSNIFVAWOM-UONOGXRCSA-N 1 0 235.371 3.001 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc(C(C)C)cc1 ZINC000033465587 344758352 /nfs/dbraw/zinc/75/83/52/344758352.db2.gz WPURMOULPNIPHL-CABCVRRESA-N 1 0 235.371 3.217 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc(C(C)C)cc1 ZINC000033465588 344758477 /nfs/dbraw/zinc/75/84/77/344758477.db2.gz WPURMOULPNIPHL-GJZGRUSLSA-N 1 0 235.371 3.217 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc(C(C)C)cc1 ZINC000033465589 187256353 /nfs/dbraw/zinc/25/63/53/187256353.db2.gz WPURMOULPNIPHL-HUUCEWRRSA-N 1 0 235.371 3.217 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc(C(C)C)cc1 ZINC000033465590 344758640 /nfs/dbraw/zinc/75/86/40/344758640.db2.gz WPURMOULPNIPHL-LSDHHAIUSA-N 1 0 235.371 3.217 10 0 BGAERO CC(C)[NH2+]C[C@@](C)(O)c1ccc(C(C)C)cc1 ZINC000033465597 167113603 /nfs/dbraw/zinc/11/36/03/167113603.db2.gz QBTDKXLGNAFHGE-OAHLLOKOSA-N 1 0 235.371 3.016 10 0 BGAERO CC(C)[NH2+]C[C@](C)(O)c1ccc(C(C)C)cc1 ZINC000033465598 167117664 /nfs/dbraw/zinc/11/76/64/167117664.db2.gz QBTDKXLGNAFHGE-HNNXBMFYSA-N 1 0 235.371 3.016 10 0 BGAERO CC[NH2+]C[C@@](O)(CC)c1ccc(C(C)C)cc1 ZINC000033465607 170121348 /nfs/dbraw/zinc/12/13/48/170121348.db2.gz WBZYNCHLKDWPCZ-HNNXBMFYSA-N 1 0 235.371 3.017 10 0 BGAERO CC[NH2+]C[C@](O)(CC)c1ccc(C(C)C)cc1 ZINC000033465608 170123560 /nfs/dbraw/zinc/12/35/60/170123560.db2.gz WBZYNCHLKDWPCZ-OAHLLOKOSA-N 1 0 235.371 3.017 10 0 BGAERO Cc1sc(C[C@@H](C)[NH3+])nc1-c1cccs1 ZINC000033466502 180557888 /nfs/dbraw/zinc/55/78/88/180557888.db2.gz WGQSXIZACABQFF-SSDOTTSWSA-N 1 0 238.381 3.070 10 0 BGAERO Cc1sc(C[C@H](C)[NH3+])nc1-c1cccs1 ZINC000033466503 180558264 /nfs/dbraw/zinc/55/82/64/180558264.db2.gz WGQSXIZACABQFF-ZETCQYMHSA-N 1 0 238.381 3.070 10 0 BGAERO Cc1sc([C@@H](C)C[NH3+])nc1-c1cccs1 ZINC000033466504 180558173 /nfs/dbraw/zinc/55/81/73/180558173.db2.gz JSWKBNSJOMKWFZ-ZETCQYMHSA-N 1 0 238.381 3.242 10 0 BGAERO O[C@@H](C[NH2+]C1CCCCCC1)c1cccs1 ZINC000033468796 183179653 /nfs/dbraw/zinc/17/96/53/183179653.db2.gz AZGRBOYACZKFAO-LBPRGKRZSA-N 1 0 239.384 3.094 10 0 BGAERO O[C@H](C[NH2+]C1CCCCCC1)c1cccs1 ZINC000033468797 183222727 /nfs/dbraw/zinc/22/27/27/183222727.db2.gz AZGRBOYACZKFAO-GFCCVEGCSA-N 1 0 239.384 3.094 10 0 BGAERO COc1ccc(-c2ccc(CC[NH3+])cc2)c(C)c1 ZINC000033469331 175032830 /nfs/dbraw/zinc/03/28/30/175032830.db2.gz YXHWFLLPQQWJTB-UHFFFAOYSA-N 1 0 241.334 3.172 10 0 BGAERO Cc1ccc(C)c(-c2ccc(OCC[NH3+])cc2)c1 ZINC000033469334 387208451 /nfs/dbraw/zinc/20/84/51/387208451.db2.gz IINQFPZNTOPYHC-UHFFFAOYSA-N 1 0 241.334 3.308 10 0 BGAERO Cc1ccc(O[C@@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000033469400 178817479 /nfs/dbraw/zinc/81/74/79/178817479.db2.gz QWNGFAFLYLJMRL-INIZCTEOSA-N 1 0 241.334 3.382 10 0 BGAERO [NH3+]C1(c2c(F)cccc2Cl)CCCC1 ZINC000033487148 181332784 /nfs/dbraw/zinc/33/27/84/181332784.db2.gz WRNFXZDAXPMGBU-UHFFFAOYSA-N 1 0 213.683 3.207 10 0 BGAERO [NH3+]C1(c2cccc(Br)c2)CCCC1 ZINC000033487152 181334002 /nfs/dbraw/zinc/33/40/02/181334002.db2.gz LOLPDEFCBXDDEC-UHFFFAOYSA-N 1 0 240.144 3.177 10 0 BGAERO CSc1ccccc1C1([NH3+])CCCC1 ZINC000033487153 175583037 /nfs/dbraw/zinc/58/30/37/175583037.db2.gz YDXYIZIZLXJBKZ-UHFFFAOYSA-N 1 0 207.342 3.137 10 0 BGAERO [NH3+]C1(c2ccccc2Br)CCCC1 ZINC000033487156 181335542 /nfs/dbraw/zinc/33/55/42/181335542.db2.gz BJKHIOWMERKSSJ-UHFFFAOYSA-N 1 0 240.144 3.177 10 0 BGAERO CC(C)([NH3+])c1cccc(Cl)c1Cl ZINC000033487302 344778563 /nfs/dbraw/zinc/77/85/63/344778563.db2.gz MKVNHOHOESOGAU-UHFFFAOYSA-N 1 0 204.100 3.187 10 0 BGAERO CC(C)([NH3+])c1nc(-c2ccccc2)cs1 ZINC000033487320 188359168 /nfs/dbraw/zinc/35/91/68/188359168.db2.gz FCNNQMOXJKDDFL-UHFFFAOYSA-N 1 0 218.325 3.004 10 0 BGAERO [NH3+]C1(c2ccc(F)c(Cl)c2)CCCC1 ZINC000033487335 181334269 /nfs/dbraw/zinc/33/42/69/181334269.db2.gz TUWFWWUIFBKCKB-UHFFFAOYSA-N 1 0 213.683 3.207 10 0 BGAERO Cc1ccc(Cl)cc1C1([NH3+])CCCC1 ZINC000033487337 178662900 /nfs/dbraw/zinc/66/29/00/178662900.db2.gz CFGYFVLUQNVUPU-UHFFFAOYSA-N 1 0 209.720 3.376 10 0 BGAERO [NH3+]C1(c2ccccc2C(F)(F)F)CCCC1 ZINC000033487338 181334735 /nfs/dbraw/zinc/33/47/35/181334735.db2.gz DOYGNAKYWAMZJX-UHFFFAOYSA-N 1 0 229.245 3.433 10 0 BGAERO [NH3+]C1(c2cccc(C(F)(F)F)c2)CCCC1 ZINC000033487339 181333612 /nfs/dbraw/zinc/33/36/12/181333612.db2.gz JTQCHEGMNUGFPQ-UHFFFAOYSA-N 1 0 229.245 3.433 10 0 BGAERO [NH3+]C1(c2cc(F)ccc2F)CCCCC1 ZINC000033487366 181333604 /nfs/dbraw/zinc/33/36/04/181333604.db2.gz AXOHMEVFPBHWJL-UHFFFAOYSA-N 1 0 211.255 3.083 10 0 BGAERO [NH3+]C1(c2ccc(F)c(F)c2F)CCCCC1 ZINC000033487367 181333718 /nfs/dbraw/zinc/33/37/18/181333718.db2.gz YXULUPLLLOEJHY-UHFFFAOYSA-N 1 0 229.245 3.222 10 0 BGAERO [NH3+]C1(c2ccccc2Cl)CCCCC1 ZINC000033487370 181335226 /nfs/dbraw/zinc/33/52/26/181335226.db2.gz NPLMJYOKGIWCKH-UHFFFAOYSA-N 1 0 209.720 3.458 10 0 BGAERO [NH3+]C1(c2ccc(F)cc2)CCCCCC1 ZINC000033487407 181334046 /nfs/dbraw/zinc/33/40/46/181334046.db2.gz QUVUMZFYNQZGHG-UHFFFAOYSA-N 1 0 207.292 3.334 10 0 BGAERO [NH3+]C1(c2ccccc2F)CCCCCC1 ZINC000033487408 181334590 /nfs/dbraw/zinc/33/45/90/181334590.db2.gz CJCYTSKIXADNIQ-UHFFFAOYSA-N 1 0 207.292 3.334 10 0 BGAERO [NH3+]C1(c2cc(F)ccc2F)CCCCCC1 ZINC000033487409 181334113 /nfs/dbraw/zinc/33/41/13/181334113.db2.gz ADCIQWLOEIBMQR-UHFFFAOYSA-N 1 0 225.282 3.473 10 0 BGAERO COc1ccc(C2([NH3+])CCCCCC2)cc1 ZINC000033487413 175084136 /nfs/dbraw/zinc/08/41/36/175084136.db2.gz ZLANZQXWMLXOFV-UHFFFAOYSA-N 1 0 219.328 3.203 10 0 BGAERO COc1cccc(C2([NH3+])CCCCCC2)c1 ZINC000033487414 175247980 /nfs/dbraw/zinc/24/79/80/175247980.db2.gz XXLOQFSXNBDQAR-UHFFFAOYSA-N 1 0 219.328 3.203 10 0 BGAERO COc1ccccc1C1([NH3+])CCCCCC1 ZINC000033487415 175320382 /nfs/dbraw/zinc/32/03/82/175320382.db2.gz OMAPIDXSUKSRLP-UHFFFAOYSA-N 1 0 219.328 3.203 10 0 BGAERO COc1ccc(C2([NH3+])CCCCCC2)cc1OC ZINC000033487428 175084293 /nfs/dbraw/zinc/08/42/93/175084293.db2.gz VGULPFOSNDYQPL-UHFFFAOYSA-N 1 0 249.354 3.212 10 0 BGAERO c1sc(C2=CC[NH2+]CC2)nc1-c1ccccc1 ZINC000033487524 343255390 /nfs/dbraw/zinc/25/53/90/343255390.db2.gz YFYUEYRCQBLCRZ-UHFFFAOYSA-N 1 0 242.347 3.187 10 0 BGAERO Clc1cc(Cl)cc(C2=CC[NH2+]CC2)c1 ZINC000033487554 355369194 /nfs/dbraw/zinc/36/91/94/355369194.db2.gz XWIOHXYURZORJQ-UHFFFAOYSA-N 1 0 228.122 3.370 10 0 BGAERO Clc1cccc(Cl)c1C1=CC[NH2+]CC1 ZINC000033487555 180590167 /nfs/dbraw/zinc/59/01/67/180590167.db2.gz FXBUPPURWGXSIW-UHFFFAOYSA-N 1 0 228.122 3.370 10 0 BGAERO Clc1cccc(C2=CC[NH2+]CC2)c1Cl ZINC000033487556 343255169 /nfs/dbraw/zinc/25/51/69/343255169.db2.gz NHULYHVMVISTGY-UHFFFAOYSA-N 1 0 228.122 3.370 10 0 BGAERO CC[NH+](CC)[C@@H](C)CSCc1cccnc1 ZINC000033638883 169795795 /nfs/dbraw/zinc/79/57/95/169795795.db2.gz RZVVBSKNRTVPLD-LBPRGKRZSA-N 1 0 238.400 3.045 10 0 BGAERO CC[NH+](CC)[C@H](C)CSCc1cccnc1 ZINC000033638885 169801331 /nfs/dbraw/zinc/80/13/31/169801331.db2.gz RZVVBSKNRTVPLD-GFCCVEGCSA-N 1 0 238.400 3.045 10 0 BGAERO CC[n+]1ccccc1/C=C\c1cccs1 ZINC000033720327 188011635 /nfs/dbraw/zinc/01/16/35/188011635.db2.gz LAPHSPCPWJXNJP-HJWRWDBZSA-N 1 0 216.329 3.226 10 0 BGAERO CC[n+]1ccccc1/C=C\c1ccc(C)cc1 ZINC000033720330 188271228 /nfs/dbraw/zinc/27/12/28/188271228.db2.gz IGEMHQJCHFIMCD-QXMHVHEDSA-N 1 0 224.327 3.473 10 0 BGAERO CC(C)=C1C[N@H+](C)CC[C@@H]1c1ccccc1 ZINC000033756519 345809516 /nfs/dbraw/zinc/80/95/16/345809516.db2.gz MGAOWIAIYHQNBN-CQSZACIVSA-N 1 0 215.340 3.442 10 0 BGAERO CC(C)=C1C[N@H+](C)CC[C@H]1c1ccccc1 ZINC000033756521 345809131 /nfs/dbraw/zinc/80/91/31/345809131.db2.gz MGAOWIAIYHQNBN-AWEZNQCLSA-N 1 0 215.340 3.442 10 0 BGAERO C[NH2+]C12C[C@@H]3C[C@H](C1)CC(C(C)C)(C3)C2 ZINC000033817726 173322369 /nfs/dbraw/zinc/32/23/69/173322369.db2.gz WDAVNYNXUBKMOS-VTXSZYRJSA-N 1 0 207.361 3.201 10 0 BGAERO [NH3+]Cc1ccc(SCc2ccccc2)cc1 ZINC000033825166 259311551 /nfs/dbraw/zinc/31/15/51/259311551.db2.gz LSJLOSRQWIDAMT-UHFFFAOYSA-N 1 0 229.348 3.438 10 0 BGAERO CC[NH2+]Cc1ncc(-c2ccccc2Cl)o1 ZINC000033853296 170131992 /nfs/dbraw/zinc/13/19/92/170131992.db2.gz KRKWHPYSWPRTLL-UHFFFAOYSA-N 1 0 236.702 3.105 10 0 BGAERO CC[NH2+]Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000033853315 170131846 /nfs/dbraw/zinc/13/18/46/170131846.db2.gz SNUVNZXOVZYQSB-UHFFFAOYSA-N 1 0 236.702 3.105 10 0 BGAERO c1cc(C2CCCCC2)ccc1NC1=[NH+]CCN1 ZINC000033866125 183334769 /nfs/dbraw/zinc/33/47/69/183334769.db2.gz DNWWODFFEFZASF-UHFFFAOYSA-N 1 0 243.354 3.105 10 0 BGAERO CCC[C@]1(c2cccs2)CC[N@H+](C)C1 ZINC000033867212 343262059 /nfs/dbraw/zinc/26/20/59/343262059.db2.gz MBDIDARHFXBCQN-LBPRGKRZSA-N 1 0 209.358 3.122 10 0 BGAERO CCC[C@@]1(c2cccs2)CC[N@H+](C)C1 ZINC000033867213 385270168 /nfs/dbraw/zinc/27/01/68/385270168.db2.gz MBDIDARHFXBCQN-GFCCVEGCSA-N 1 0 209.358 3.122 10 0 BGAERO CCC[C@@H](c1cccc(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000033867955 350167361 /nfs/dbraw/zinc/16/73/61/350167361.db2.gz BIOSACPTBMYVEM-HIFRSBDPSA-N 1 0 233.355 3.228 10 0 BGAERO CCC[C@H](c1cccc(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC000033867956 350166906 /nfs/dbraw/zinc/16/69/06/350166906.db2.gz BIOSACPTBMYVEM-UKRRQHHQSA-N 1 0 233.355 3.228 10 0 BGAERO CCC[C@@H](c1cccc(O)c1)[C@H]1CC[N@H+](C)C1 ZINC000033867957 345813385 /nfs/dbraw/zinc/81/33/85/345813385.db2.gz BIOSACPTBMYVEM-ZFWWWQNUSA-N 1 0 233.355 3.228 10 0 BGAERO CCC[C@H](c1cccc(O)c1)[C@H]1CC[N@H+](C)C1 ZINC000033867958 350167128 /nfs/dbraw/zinc/16/71/28/350167128.db2.gz BIOSACPTBMYVEM-DZGCQCFKSA-N 1 0 233.355 3.228 10 0 BGAERO COc1ccc(CCCC2CC[NH2+]CC2)cc1 ZINC000033872753 187257470 /nfs/dbraw/zinc/25/74/70/187257470.db2.gz WGVPSALPIAOFFL-UHFFFAOYSA-N 1 0 233.355 3.018 10 0 BGAERO Fc1ccc(CCCC2CC[NH2+]CC2)cc1 ZINC000033872755 343262112 /nfs/dbraw/zinc/26/21/12/343262112.db2.gz NOAWTCRBYKDFGP-UHFFFAOYSA-N 1 0 221.319 3.148 10 0 BGAERO CCCCc1nc2c(s1)CCC[C@@H]2C[NH2+]C ZINC000033874373 169027110 /nfs/dbraw/zinc/02/71/10/169027110.db2.gz GOBQGMKTJNILRX-SNVBAGLBSA-N 1 0 238.400 3.125 10 0 BGAERO CCCCc1nc2c(s1)CCC[C@H]2C[NH2+]C ZINC000033874375 169027822 /nfs/dbraw/zinc/02/78/22/169027822.db2.gz GOBQGMKTJNILRX-JTQLQIEISA-N 1 0 238.400 3.125 10 0 BGAERO CC[NH+](CC)CCNc1c(C)cccc1C ZINC000033875437 169781477 /nfs/dbraw/zinc/78/14/77/169781477.db2.gz YHHHQLCTJCJHKQ-UHFFFAOYSA-N 1 0 220.360 3.057 10 0 BGAERO c1ccc2c(CCC3CC[NH2+]CC3)ccnc2c1 ZINC000033877461 385268850 /nfs/dbraw/zinc/26/88/50/385268850.db2.gz LGTBHOAANLAGKX-UHFFFAOYSA-N 1 0 240.350 3.167 10 0 BGAERO CCCC[NH2+]CCCc1ccccc1OC ZINC000033878627 168866669 /nfs/dbraw/zinc/86/66/69/168866669.db2.gz PQGMECIEHYVMEX-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CC[N@@H+]1CCC[C@H](c2cccc3[nH]ccc32)C1 ZINC000033885040 343262598 /nfs/dbraw/zinc/26/25/98/343262598.db2.gz AVDOMFOOORZYRP-LBPRGKRZSA-N 1 0 228.339 3.367 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2cccc3[nH]ccc32)C1 ZINC000033885041 343262537 /nfs/dbraw/zinc/26/25/37/343262537.db2.gz AVDOMFOOORZYRP-GFCCVEGCSA-N 1 0 228.339 3.367 10 0 BGAERO CC[N@@H+]1CCC=C(c2cccc3[nH]ccc32)C1 ZINC000033885042 343262582 /nfs/dbraw/zinc/26/25/82/343262582.db2.gz OHFSXVFFKNMVRS-UHFFFAOYSA-N 1 0 226.323 3.277 10 0 BGAERO c1ccc2c(c1)ccnc2CC[NH+]1CCCCC1 ZINC000033902042 385268987 /nfs/dbraw/zinc/26/89/87/385268987.db2.gz LOYAWKCTCLZNGA-UHFFFAOYSA-N 1 0 240.350 3.263 10 0 BGAERO COc1ccc(Sc2ccccc2C[NH3+])cc1 ZINC000033902177 187594087 /nfs/dbraw/zinc/59/40/87/187594087.db2.gz WETJRTARNMHRQA-UHFFFAOYSA-N 1 0 245.347 3.305 10 0 BGAERO C[N@@H+]1CC[C@@]23CCCC[C@H]2[C@@H]1Cc1ccccc13 ZINC000033915532 345813461 /nfs/dbraw/zinc/81/34/61/345813461.db2.gz IHBSVVZENGBQDY-YESZJQIVSA-N 1 0 241.378 3.375 10 0 BGAERO [NH3+]Cc1ccc(C(F)(F)F)c(C(F)(F)F)c1 ZINC000033962269 350835569 /nfs/dbraw/zinc/83/55/69/350835569.db2.gz JYKCGGVMFIBJJC-UHFFFAOYSA-N 1 0 243.150 3.183 10 0 BGAERO C[NH+](C)C[C@@H]1CCCC[C@H]1c1cccc(O)c1 ZINC000033966691 385271220 /nfs/dbraw/zinc/27/12/20/385271220.db2.gz JIRYWFYYBBRJAN-ZFWWWQNUSA-N 1 0 233.355 3.228 10 0 in-man BGAERO Clc1ccc(C2=C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000033994314 188358992 /nfs/dbraw/zinc/35/89/92/188358992.db2.gz QBSBBGLHCMPGNO-OLZOCXBDSA-N 1 0 219.715 3.248 10 0 in-vivo BGAERO [NH3+]Cc1c(C(F)(F)F)cccc1C(F)(F)F ZINC000033994628 346173598 /nfs/dbraw/zinc/17/35/98/346173598.db2.gz YQTUOMPXMBNBLL-UHFFFAOYSA-N 1 0 243.150 3.183 10 0 BGAERO Cc1cccc(F)c1/C=C/C1CC[NH2+]CC1 ZINC000034062172 179109595 /nfs/dbraw/zinc/10/95/95/179109595.db2.gz NAWPMZGGUSZAFP-AATRIKPKSA-N 1 0 219.303 3.147 10 0 BGAERO [NH3+]CCc1cn(C2CCCC2)c2ccccc12 ZINC000034062603 342878690 /nfs/dbraw/zinc/87/86/90/342878690.db2.gz QIEYQKPMBQAYNS-UHFFFAOYSA-N 1 0 228.339 3.258 10 0 BGAERO CCC[C@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000034070065 345814591 /nfs/dbraw/zinc/81/45/91/345814591.db2.gz ISDXXLAJBAYROO-AWEZNQCLSA-N 1 0 232.371 3.477 10 0 BGAERO CCC[C@@H]([NH3+])c1ccccc1N1CCCCC1 ZINC000034070067 345814691 /nfs/dbraw/zinc/81/46/91/345814691.db2.gz ISDXXLAJBAYROO-CQSZACIVSA-N 1 0 232.371 3.477 10 0 BGAERO [NH3+]CCCCCOc1cccc2ccccc21 ZINC000034079096 181374970 /nfs/dbraw/zinc/37/49/70/181374970.db2.gz REJBIQBNYYEQMM-UHFFFAOYSA-N 1 0 229.323 3.348 10 0 BGAERO Cc1cnc2c(cccc2[C@@H]2CCC[NH2+]C2)c1 ZINC000034080906 346191478 /nfs/dbraw/zinc/19/14/78/346191478.db2.gz BHTUTNDFQYHQDC-CYBMUJFWSA-N 1 0 226.323 3.010 10 0 BGAERO [NH3+]CCCCCCc1ccc(Cl)cc1 ZINC000034082997 181374887 /nfs/dbraw/zinc/37/48/87/181374887.db2.gz YMMATTGYOQDTQK-UHFFFAOYSA-N 1 0 211.736 3.402 10 0 BGAERO Nc1ccc2c(NCc3ccccc3)cc[nH+]c2c1 ZINC000034083968 343264184 /nfs/dbraw/zinc/26/41/84/343264184.db2.gz BTMMSEIFZNPYGV-UHFFFAOYSA-N 1 0 249.317 3.429 10 0 BGAERO Clc1cccc(S[C@@H]2CCC[NH2+]C2)c1 ZINC000034103776 346194538 /nfs/dbraw/zinc/19/45/38/346194538.db2.gz OOUSTFOOLHKSPA-LLVKDONJSA-N 1 0 227.760 3.184 10 0 BGAERO Clc1cccc(S[C@H]2CCC[NH2+]C2)c1 ZINC000034103777 346194498 /nfs/dbraw/zinc/19/44/98/346194498.db2.gz OOUSTFOOLHKSPA-NSHDSACASA-N 1 0 227.760 3.184 10 0 BGAERO COc1cccc(C2=CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000034133349 345817672 /nfs/dbraw/zinc/81/76/72/345817672.db2.gz ZNCWAUCBOGCYTO-MRXNPFEDSA-N 1 0 243.350 3.337 10 0 BGAERO COc1cccc(C2=CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000034133350 345817907 /nfs/dbraw/zinc/81/79/07/345817907.db2.gz ZNCWAUCBOGCYTO-INIZCTEOSA-N 1 0 243.350 3.337 10 0 BGAERO COc1ccccc1[C@@H](CC[NH3+])c1ccccc1 ZINC000034153415 398343219 /nfs/dbraw/zinc/34/32/19/398343219.db2.gz ZJLHFUHBVPAVEZ-AWEZNQCLSA-N 1 0 241.334 3.176 10 0 BGAERO COc1ccccc1[C@H](CC[NH3+])c1ccccc1 ZINC000034153416 398343276 /nfs/dbraw/zinc/34/32/76/398343276.db2.gz ZJLHFUHBVPAVEZ-CQSZACIVSA-N 1 0 241.334 3.176 10 0 BGAERO C[NH2+][C@]12CC[C@@H](C)C[C@H]1Cc1ccccc12 ZINC000034181299 345818823 /nfs/dbraw/zinc/81/88/23/345818823.db2.gz BTDNYXDWDQUUQW-OSAQELSMSA-N 1 0 215.340 3.094 10 0 BGAERO C[NH2+][C@]12CC[C@H](C)C[C@H]1Cc1ccccc12 ZINC000034181301 345819073 /nfs/dbraw/zinc/81/90/73/345819073.db2.gz BTDNYXDWDQUUQW-CORIIIEPSA-N 1 0 215.340 3.094 10 0 BGAERO C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000034217142 346226114 /nfs/dbraw/zinc/22/61/14/346226114.db2.gz TYZYXHCTDYUUMN-UHFFFAOYSA-N 1 0 209.720 3.149 10 0 BGAERO C[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000034218070 358451776 /nfs/dbraw/zinc/45/17/76/358451776.db2.gz INEZPUJOFJSXHS-QEJZJMRPSA-N 1 0 233.355 3.031 10 0 BGAERO Cc1cc2[nH]ccc2c(NCc2ccccc2)[nH+]1 ZINC000034218247 178277096 /nfs/dbraw/zinc/27/70/96/178277096.db2.gz KOKPLDYMTAHVLY-UHFFFAOYSA-N 1 0 237.306 3.483 10 0 BGAERO c1ccc(C[n+]2ccc(-c3ccccn3)cc2)cc1 ZINC000034317619 368323554 /nfs/dbraw/zinc/32/35/54/368323554.db2.gz ZUCRFPJZQYSTHW-UHFFFAOYSA-N 1 0 247.321 3.084 10 0 BGAERO COc1ccc2c(c1)CCC([NH+]1CCCC1)=C2 ZINC000034361419 345822421 /nfs/dbraw/zinc/82/24/21/345822421.db2.gz NBKWGVDIYHHCKK-UHFFFAOYSA-N 1 0 229.323 3.078 10 0 BGAERO Cc1cnc2c(cccc2[C@H]2CCC[NH2+]C2)c1 ZINC000034381301 346256431 /nfs/dbraw/zinc/25/64/31/346256431.db2.gz BHTUTNDFQYHQDC-ZDUSSCGKSA-N 1 0 226.323 3.010 10 0 BGAERO C[C@@H](C[NH3+])c1ccc(-c2ccsc2)cc1 ZINC000034415953 345828506 /nfs/dbraw/zinc/82/85/06/345828506.db2.gz CJKNNXOROMYPHL-JTQLQIEISA-N 1 0 217.337 3.477 10 0 BGAERO C[C@H](C[NH3+])c1ccc(-c2ccsc2)cc1 ZINC000034415954 345828591 /nfs/dbraw/zinc/82/85/91/345828591.db2.gz CJKNNXOROMYPHL-SNVBAGLBSA-N 1 0 217.337 3.477 10 0 BGAERO C[C@@H](CC1(F)CC[NH2+]CC1)c1ccccc1 ZINC000034431775 345832603 /nfs/dbraw/zinc/83/26/03/345832603.db2.gz PFUXMNAKFSJYSL-LBPRGKRZSA-N 1 0 221.319 3.272 10 0 BGAERO C[C@H](CC1(F)CC[NH2+]CC1)c1ccccc1 ZINC000034431776 345832704 /nfs/dbraw/zinc/83/27/04/345832704.db2.gz PFUXMNAKFSJYSL-GFCCVEGCSA-N 1 0 221.319 3.272 10 0 BGAERO [NH3+][C@H](CSc1ccccc1)c1ccccc1 ZINC000034432211 343270682 /nfs/dbraw/zinc/27/06/82/343270682.db2.gz QGJBHDAXCPCBDT-CQSZACIVSA-N 1 0 229.348 3.479 10 0 BGAERO [NH3+][C@@H](CSc1ccccc1)c1ccccc1 ZINC000034432212 343270606 /nfs/dbraw/zinc/27/06/06/343270606.db2.gz QGJBHDAXCPCBDT-AWEZNQCLSA-N 1 0 229.348 3.479 10 0 BGAERO Cc1cc2ccccc2n1C1CC[NH+](C)CC1 ZINC000034432672 178297467 /nfs/dbraw/zinc/29/74/67/178297467.db2.gz ZSAKOSMPXZWPEH-UHFFFAOYSA-N 1 0 228.339 3.216 10 0 BGAERO Cc1cc2ccccc2n1C[C@@H]1CCC[N@@H+](C)C1 ZINC000034432700 178299441 /nfs/dbraw/zinc/29/94/41/178299441.db2.gz SSKYGOQCDMZMFN-CQSZACIVSA-N 1 0 242.366 3.292 10 0 BGAERO Cc1cc2ccccc2n1C[C@H]1CCC[N@@H+](C)C1 ZINC000034432703 178298523 /nfs/dbraw/zinc/29/85/23/178298523.db2.gz SSKYGOQCDMZMFN-AWEZNQCLSA-N 1 0 242.366 3.292 10 0 BGAERO Cc1cc2ccccc2n1C[C@@H]1CCC[N@H+]1C ZINC000034432714 178299080 /nfs/dbraw/zinc/29/90/80/178299080.db2.gz GNOYEBHIEOXMCP-AWEZNQCLSA-N 1 0 228.339 3.044 10 0 BGAERO Cc1cc2ccccc2n1C[C@H]1CCC[N@H+]1C ZINC000034432717 178299161 /nfs/dbraw/zinc/29/91/61/178299161.db2.gz GNOYEBHIEOXMCP-CQSZACIVSA-N 1 0 228.339 3.044 10 0 BGAERO C[C@H]([NH3+])c1cc(Cl)ccc1N1CCCCC1 ZINC000034433598 345833434 /nfs/dbraw/zinc/83/34/34/345833434.db2.gz FMFYJACOYMGBIQ-JTQLQIEISA-N 1 0 238.762 3.350 10 0 BGAERO C[C@@H]([NH3+])c1cc(Cl)ccc1N1CCCCC1 ZINC000034433600 342881446 /nfs/dbraw/zinc/88/14/46/342881446.db2.gz FMFYJACOYMGBIQ-SNVBAGLBSA-N 1 0 238.762 3.350 10 0 BGAERO Cc1cc(C)c(C)c2c1C[C@](C)(CC[NH+](C)C)O2 ZINC000034435301 345833561 /nfs/dbraw/zinc/83/35/61/345833561.db2.gz MXTYANNGOPUDBQ-INIZCTEOSA-N 1 0 247.382 3.257 10 0 BGAERO Cc1cc(C)c(C)c2c1C[C@@](C)(CC[NH+](C)C)O2 ZINC000034435304 345833544 /nfs/dbraw/zinc/83/35/44/345833544.db2.gz MXTYANNGOPUDBQ-MRXNPFEDSA-N 1 0 247.382 3.257 10 0 BGAERO [NH3+][C@@H]1CCSc2c(Cl)ccc(Cl)c21 ZINC000034438070 343271254 /nfs/dbraw/zinc/27/12/54/343271254.db2.gz PIRGSLCCQBPDFY-SSDOTTSWSA-N 1 0 234.151 3.489 10 0 BGAERO [NH3+][C@H]1CCSc2c(Cl)ccc(Cl)c21 ZINC000034438071 346282556 /nfs/dbraw/zinc/28/25/56/346282556.db2.gz PIRGSLCCQBPDFY-ZETCQYMHSA-N 1 0 234.151 3.489 10 0 BGAERO C[C@@H]1CSc2c(Cl)cccc2[C@@H]1[NH3+] ZINC000034438084 176356445 /nfs/dbraw/zinc/35/64/45/176356445.db2.gz SIYDBDNPHCIMQV-HZGVNTEJSA-N 1 0 213.733 3.082 10 0 BGAERO C[C@H]1CSc2c(Cl)cccc2[C@@H]1[NH3+] ZINC000034438086 346282388 /nfs/dbraw/zinc/28/23/88/346282388.db2.gz SIYDBDNPHCIMQV-IMTBSYHQSA-N 1 0 213.733 3.082 10 0 BGAERO C[C@@H]1CSc2c(Cl)cccc2[C@H]1[NH3+] ZINC000034438087 176356424 /nfs/dbraw/zinc/35/64/24/176356424.db2.gz SIYDBDNPHCIMQV-MUWHJKNJSA-N 1 0 213.733 3.082 10 0 BGAERO C[C@H]1CSc2c(Cl)cccc2[C@H]1[NH3+] ZINC000034438090 346282293 /nfs/dbraw/zinc/28/22/93/346282293.db2.gz SIYDBDNPHCIMQV-RCOVLWMOSA-N 1 0 213.733 3.082 10 0 BGAERO C1C[NH+]=C(C23CC4CC(CC(C4)C2)C3)C1 ZINC000034451173 350469292 /nfs/dbraw/zinc/46/92/92/350469292.db2.gz UJTBQGPWLGJKKB-UHFFFAOYSA-N 1 0 203.329 3.438 10 0 BGAERO COc1ccc(-c2ccc(C[C@H](C)[NH3+])cc2)cc1 ZINC000034454147 175033375 /nfs/dbraw/zinc/03/33/75/175033375.db2.gz OQSRIETYOHWLHA-LBPRGKRZSA-N 1 0 241.334 3.252 10 0 BGAERO COc1ccc(-c2ccc(C[C@@H](C)[NH3+])cc2)cc1 ZINC000034454148 175033413 /nfs/dbraw/zinc/03/34/13/175033413.db2.gz OQSRIETYOHWLHA-GFCCVEGCSA-N 1 0 241.334 3.252 10 0 BGAERO CC[C@H](c1cccc(OC)c1)[C@@H](C)C[NH+](C)C ZINC000034456061 171596546 /nfs/dbraw/zinc/59/65/46/171596546.db2.gz JKVBTSJLQLSTHJ-WFASDCNBSA-N 1 0 235.371 3.387 10 0 BGAERO Cc1cc(C)c([C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000034484090 177872205 /nfs/dbraw/zinc/87/22/05/177872205.db2.gz JKFKVTXJMNEBST-HNNXBMFYSA-N 1 0 247.382 3.131 10 0 BGAERO CC[NH2+]CCN(CC)Cc1ccc(C(C)C)cc1 ZINC000034484157 170113209 /nfs/dbraw/zinc/11/32/09/170113209.db2.gz FMGJJOUBHNKQJQ-UHFFFAOYSA-N 1 0 248.414 3.241 10 0 BGAERO c1ccc2c(c1)CCCCC21CC[NH2+]CC1 ZINC000034491049 343273018 /nfs/dbraw/zinc/27/30/18/343273018.db2.gz NPEAKKKXDZBNDM-UHFFFAOYSA-N 1 0 215.340 3.034 10 0 BGAERO Nc1c[nH+]c2ccccc2c1NCc1ccccc1 ZINC000034499351 343273384 /nfs/dbraw/zinc/27/33/84/343273384.db2.gz HKGPTTMXHQAEBO-UHFFFAOYSA-N 1 0 249.317 3.429 10 0 BGAERO COc1ccc([C@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000034507184 345829976 /nfs/dbraw/zinc/82/99/76/345829976.db2.gz UBGKKURYRGISAW-CVEARBPZSA-N 1 0 239.318 3.035 10 0 BGAERO COc1ccc([C@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000034507186 345830171 /nfs/dbraw/zinc/83/01/71/345830171.db2.gz UBGKKURYRGISAW-HZPDHXFCSA-N 1 0 239.318 3.035 10 0 BGAERO [NH3+][C@H](CC1CC1)c1ccccc1N1CCCCC1 ZINC000034507551 345830011 /nfs/dbraw/zinc/83/00/11/345830011.db2.gz WPVNBADPAYDJKH-OAHLLOKOSA-N 1 0 244.382 3.477 10 0 BGAERO [NH3+][C@@H](CC1CC1)c1ccccc1N1CCCCC1 ZINC000034507552 345830187 /nfs/dbraw/zinc/83/01/87/345830187.db2.gz WPVNBADPAYDJKH-HNNXBMFYSA-N 1 0 244.382 3.477 10 0 BGAERO O=C(c1csc2ccccc12)C1CC[NH2+]CC1 ZINC000034536840 346902387 /nfs/dbraw/zinc/90/23/87/346902387.db2.gz ICLHOJPKWPVABT-UHFFFAOYSA-N 1 0 245.347 3.084 10 0 BGAERO C/C=C(\c1cccc(OC)c1)[C@H](C)C[NH+](C)C ZINC000034547853 343274742 /nfs/dbraw/zinc/27/47/42/343274742.db2.gz JHKJGWJFBYPMCY-FVTUNSQFSA-N 1 0 233.355 3.296 10 0 BGAERO CC[C@]1(c2cccc(OC)c2)CCCC[NH2+]C1 ZINC000034557885 345831514 /nfs/dbraw/zinc/83/15/14/345831514.db2.gz UWULSBBGFGMBHN-HNNXBMFYSA-N 1 0 233.355 3.117 10 0 BGAERO CC[C@@]1(c2cccc(OC)c2)CCCC[NH2+]C1 ZINC000034557886 345831537 /nfs/dbraw/zinc/83/15/37/345831537.db2.gz UWULSBBGFGMBHN-OAHLLOKOSA-N 1 0 233.355 3.117 10 0 BGAERO C/C=C(/c1cccc(OC)c1)[C@@H](C)C[NH+](C)C ZINC000034570343 190985525 /nfs/dbraw/zinc/98/55/25/190985525.db2.gz JHKJGWJFBYPMCY-FCGPPKDQSA-N 1 0 233.355 3.296 10 0 BGAERO C/C=C(/c1cccc(OC)c1)[C@H](C)C[NH+](C)C ZINC000034570345 343275172 /nfs/dbraw/zinc/27/51/72/343275172.db2.gz JHKJGWJFBYPMCY-BYQGBLLGSA-N 1 0 233.355 3.296 10 0 BGAERO c1ccc(-c2cncc(C[NH+]3CCCC3)c2)cc1 ZINC000034577310 183380933 /nfs/dbraw/zinc/38/09/33/183380933.db2.gz SKLYRAFOSAMUMT-UHFFFAOYSA-N 1 0 238.334 3.344 10 0 BGAERO CSc1ccc([C@H](C)[NH3+])cc1Cl ZINC000034596033 347185127 /nfs/dbraw/zinc/18/51/27/347185127.db2.gz IAJKQHXQAURWEK-LURJTMIESA-N 1 0 201.722 3.082 10 0 BGAERO CSc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000034596034 347185000 /nfs/dbraw/zinc/18/50/00/347185000.db2.gz IAJKQHXQAURWEK-ZCFIWIBFSA-N 1 0 201.722 3.082 10 0 BGAERO CC(C)=CCC/C(C)=C/CC[N@H+](C)CCCO ZINC000034606840 345837567 /nfs/dbraw/zinc/83/75/67/345837567.db2.gz AZQGRACLSVRFFA-XNTDXEJSSA-N 1 0 239.403 3.383 10 0 BGAERO Fc1ccc2[nH]c3c(c2c1)[C@H]1CCC[C@@H](C3)[NH2+]1 ZINC000034616701 345837929 /nfs/dbraw/zinc/83/79/29/345837929.db2.gz UHJGNVDGWNQBTR-JOYOIKCWSA-N 1 0 230.286 3.046 10 0 BGAERO Fc1ccc2[nH]cc(CCC3CC[NH2+]CC3)c2c1 ZINC000034616717 345837815 /nfs/dbraw/zinc/83/78/15/345837815.db2.gz BWIHBLJOYPMSDN-UHFFFAOYSA-N 1 0 246.329 3.239 10 0 BGAERO C[NH2+]Cc1ccc(N(C)c2ccccc2)cc1 ZINC000034652352 188466601 /nfs/dbraw/zinc/46/66/01/188466601.db2.gz SWLMYIBFUKUXGB-UHFFFAOYSA-N 1 0 226.323 3.174 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000034652358 173387753 /nfs/dbraw/zinc/38/77/53/173387753.db2.gz CCTSWNFZDBNITO-UHFFFAOYSA-N 1 0 203.310 3.135 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1 ZINC000034652678 173388195 /nfs/dbraw/zinc/38/81/95/173388195.db2.gz SCVKBPUOVCXJQF-UHFFFAOYSA-N 1 0 221.300 3.274 10 0 BGAERO CC[C@H](C)Oc1ccc(OC)cc1C[NH2+]C1CC1 ZINC000034656186 171356100 /nfs/dbraw/zinc/35/61/00/171356100.db2.gz XCIFOZQGVJHYRT-NSHDSACASA-N 1 0 249.354 3.125 10 0 BGAERO Cc1cc(C[NH2+]C2CC2)cc(C)c1OC(C)C ZINC000034657196 178018166 /nfs/dbraw/zinc/01/81/66/178018166.db2.gz CQFXCLHUIGYWMQ-UHFFFAOYSA-N 1 0 233.355 3.343 10 0 BGAERO CCC[NH2+][C@@H](C)c1cc(F)ccc1-n1ccnc1 ZINC000034663892 169276036 /nfs/dbraw/zinc/27/60/36/169276036.db2.gz IJFMZUMOMBCOHN-NSHDSACASA-N 1 0 247.317 3.072 10 0 BGAERO CCC[NH2+][C@H](C)c1cc(F)ccc1-n1ccnc1 ZINC000034663893 169287079 /nfs/dbraw/zinc/28/70/79/169287079.db2.gz IJFMZUMOMBCOHN-LLVKDONJSA-N 1 0 247.317 3.072 10 0 BGAERO C[NH2+]Cc1ccc(Oc2ccccc2F)cc1 ZINC000034664464 188284617 /nfs/dbraw/zinc/28/46/17/188284617.db2.gz WFWXDSZQSOBNIO-UHFFFAOYSA-N 1 0 231.270 3.337 10 0 BGAERO C[NH2+]Cc1ccc(Oc2ccc(F)cc2)c(F)c1 ZINC000034664634 173389124 /nfs/dbraw/zinc/38/91/24/173389124.db2.gz QDSOWTVFLBVZSP-UHFFFAOYSA-N 1 0 249.260 3.477 10 0 BGAERO C[NH2+][C@H](C)c1cc(F)ccc1Oc1cccnc1 ZINC000034666352 173448706 /nfs/dbraw/zinc/44/87/06/173448706.db2.gz VHRFRGYLMUCXAH-SNVBAGLBSA-N 1 0 246.285 3.293 10 0 BGAERO CCSc1ccc([C@@H](C)[NH2+]C)cc1F ZINC000034666459 170655053 /nfs/dbraw/zinc/65/50/53/170655053.db2.gz CPWKRYDSLTZYAV-MRVPVSSYSA-N 1 0 213.321 3.218 10 0 BGAERO CCSc1ccc([C@H](C)[NH2+]C)cc1F ZINC000034666460 170655680 /nfs/dbraw/zinc/65/56/80/170655680.db2.gz CPWKRYDSLTZYAV-QMMMGPOBSA-N 1 0 213.321 3.218 10 0 BGAERO COCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000034676129 343276974 /nfs/dbraw/zinc/27/69/74/343276974.db2.gz QVJQBUGPLBBFIN-HZSPNIEDSA-N 1 0 227.392 3.073 10 0 BGAERO COCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000034676130 386472298 /nfs/dbraw/zinc/47/22/98/386472298.db2.gz QVJQBUGPLBBFIN-MELADBBJSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC1CC[NH2+]CC1 ZINC000034679232 187257418 /nfs/dbraw/zinc/25/74/18/187257418.db2.gz IRUCYPJOXKOUCR-BPLDGKMQSA-N 1 0 239.403 3.216 10 0 BGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCCC(N)=[NH2+] ZINC000034689307 187766707 /nfs/dbraw/zinc/76/67/07/187766707.db2.gz QGVIHLBMRFANKN-JHJVBQTASA-N 1 0 240.391 3.180 10 0 BGAERO C[NH2+]CC[C@H](Oc1ccccc1)c1ccccc1 ZINC000034760091 398343549 /nfs/dbraw/zinc/34/35/49/398343549.db2.gz DMOUAPYFRKLFHO-INIZCTEOSA-N 1 0 241.334 3.416 10 0 BGAERO c1ccc([C@@H]2CC[C@H]3[NH2+]CCC[C@@H]3C2)cc1 ZINC000034790315 183427668 /nfs/dbraw/zinc/42/76/68/183427668.db2.gz PIYGQUDQZWQPES-RBSFLKMASA-N 1 0 215.340 3.322 10 0 BGAERO CC[NH2+]Cc1cc(Cl)ccc1OCC(C)C ZINC000034815200 170125574 /nfs/dbraw/zinc/12/55/74/170125574.db2.gz DSRKWFRJOQTINA-UHFFFAOYSA-N 1 0 241.762 3.484 10 0 BGAERO C[NH2+]Cc1cccc(OCC2CCCCC2)c1 ZINC000034816085 173389633 /nfs/dbraw/zinc/38/96/33/173389633.db2.gz YNYQMEOGIOGHGK-UHFFFAOYSA-N 1 0 233.355 3.365 10 0 BGAERO C[NH2+]Cc1ccc(OC)c(OC2CCCCC2)c1 ZINC000034817231 173389006 /nfs/dbraw/zinc/38/90/06/173389006.db2.gz FODJWLFYRJMCAC-UHFFFAOYSA-N 1 0 249.354 3.126 10 0 BGAERO CC[C@H](C)Oc1ccc(CC[C@@H](C)[NH2+]C)cc1 ZINC000034821409 171355921 /nfs/dbraw/zinc/35/59/21/171355921.db2.gz DOXRQCBOSPBJGA-OLZOCXBDSA-N 1 0 235.371 3.404 10 0 BGAERO CC[C@H](C)Oc1ccc(CC[C@H](C)[NH2+]C)cc1 ZINC000034821413 171356196 /nfs/dbraw/zinc/35/61/96/171356196.db2.gz DOXRQCBOSPBJGA-STQMWFEESA-N 1 0 235.371 3.404 10 0 BGAERO CCCOc1ccc(CC[C@@H](C)[NH2+]C)cc1 ZINC000034821495 169318629 /nfs/dbraw/zinc/31/86/29/169318629.db2.gz FCMSQIHAVZQSOI-GFCCVEGCSA-N 1 0 221.344 3.016 10 0 BGAERO CCCOc1ccc(CC[C@H](C)[NH2+]C)cc1 ZINC000034821497 169318181 /nfs/dbraw/zinc/31/81/81/169318181.db2.gz FCMSQIHAVZQSOI-LBPRGKRZSA-N 1 0 221.344 3.016 10 0 BGAERO CCCOc1ccc(CC[C@@H](C)[NH2+]CC)cc1 ZINC000034821700 169318603 /nfs/dbraw/zinc/31/86/03/169318603.db2.gz UWGDOIKIHVYBAI-CYBMUJFWSA-N 1 0 235.371 3.406 10 0 BGAERO CCCOc1ccc(CC[C@H](C)[NH2+]CC)cc1 ZINC000034821702 169318833 /nfs/dbraw/zinc/31/88/33/169318833.db2.gz UWGDOIKIHVYBAI-ZDUSSCGKSA-N 1 0 235.371 3.406 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1N1CCC(C)CC1 ZINC000034822997 132336889 /nfs/dbraw/zinc/33/68/89/132336889.db2.gz QBQBPQKGZSMKAL-UHFFFAOYSA-N 1 0 246.398 3.421 10 0 BGAERO CC[NH2+]Cc1ccccc1N1CCC(C)CC1 ZINC000034822999 132336892 /nfs/dbraw/zinc/33/68/92/132336892.db2.gz HAHGCIRVAVGQCI-UHFFFAOYSA-N 1 0 232.371 3.032 10 0 BGAERO CC[NH2+]Cc1c(Cl)cccc1N1CCCC1 ZINC000034823034 170124704 /nfs/dbraw/zinc/12/47/04/170124704.db2.gz DKXVECNQWZRTQT-UHFFFAOYSA-N 1 0 238.762 3.050 10 0 BGAERO CC[NH2+]Cc1ccccc1N1CCCC[C@@H]1C ZINC000034823140 132336704 /nfs/dbraw/zinc/33/67/04/132336704.db2.gz WHGLTKGFBSLPPL-ZDUSSCGKSA-N 1 0 232.371 3.175 10 0 BGAERO CC[NH2+]Cc1ccccc1N1CCCC[C@H]1C ZINC000034823141 132336810 /nfs/dbraw/zinc/33/68/10/132336810.db2.gz WHGLTKGFBSLPPL-CYBMUJFWSA-N 1 0 232.371 3.175 10 0 BGAERO C[NH2+]Cc1ccc(N(C)c2ccccc2)c(F)c1 ZINC000034823211 187594298 /nfs/dbraw/zinc/59/42/98/187594298.db2.gz YPIUOQODWFVSCA-UHFFFAOYSA-N 1 0 244.313 3.313 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)c1ccccc1 ZINC000034823216 173390475 /nfs/dbraw/zinc/39/04/75/173390475.db2.gz ULTYTXVNXRDARL-UHFFFAOYSA-N 1 0 226.323 3.174 10 0 BGAERO C[C@@H]1CCCN(c2ccccc2C[NH2+]C2CC2)C1 ZINC000034823346 132337010 /nfs/dbraw/zinc/33/70/10/132337010.db2.gz SAIGRVJIMXSARE-CYBMUJFWSA-N 1 0 244.382 3.175 10 0 BGAERO C[C@H]1CCCN(c2ccccc2C[NH2+]C2CC2)C1 ZINC000034823347 132336974 /nfs/dbraw/zinc/33/69/74/132336974.db2.gz SAIGRVJIMXSARE-ZDUSSCGKSA-N 1 0 244.382 3.175 10 0 BGAERO CCC[NH2+]Cc1ccccc1N1CCC[C@H](C)C1 ZINC000034823350 132337048 /nfs/dbraw/zinc/33/70/48/132337048.db2.gz ZVASNHFAWUPAHW-AWEZNQCLSA-N 1 0 246.398 3.423 10 0 BGAERO CCC[NH2+]Cc1ccccc1N1CCC[C@@H](C)C1 ZINC000034823351 132337006 /nfs/dbraw/zinc/33/70/06/132337006.db2.gz ZVASNHFAWUPAHW-CQSZACIVSA-N 1 0 246.398 3.423 10 0 BGAERO CC[NH2+]Cc1ccccc1N1CCCCCC1 ZINC000034823397 170127941 /nfs/dbraw/zinc/12/79/41/170127941.db2.gz PSYQNCMEJXHKKF-UHFFFAOYSA-N 1 0 232.371 3.177 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)Cc1ccccc1 ZINC000034823572 173390347 /nfs/dbraw/zinc/39/03/47/173390347.db2.gz WHRVFUSNCCMEDC-UHFFFAOYSA-N 1 0 240.350 3.042 10 0 BGAERO CCCCN(C)c1ccccc1C[NH2+]C(C)C ZINC000034823625 168785819 /nfs/dbraw/zinc/78/58/19/168785819.db2.gz CNUCJFDBWAEALC-UHFFFAOYSA-N 1 0 234.387 3.421 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)C1CCCCC1 ZINC000034823784 173390822 /nfs/dbraw/zinc/39/08/22/173390822.db2.gz IPYZMFWHBDSCCL-UHFFFAOYSA-N 1 0 232.371 3.175 10 0 BGAERO C[NH2+]Cc1ccccc1N1CCCCCCC1 ZINC000034824372 173390394 /nfs/dbraw/zinc/39/03/94/173390394.db2.gz ZLHFLBYBDSVMNU-UHFFFAOYSA-N 1 0 232.371 3.177 10 0 BGAERO CCC[NH2+]Cc1ccccc1N(CC)C(C)C ZINC000034824712 169268122 /nfs/dbraw/zinc/26/81/22/169268122.db2.gz KMTKEFUQVZJRHI-UHFFFAOYSA-N 1 0 234.387 3.421 10 0 BGAERO CC[C@@H]1CCCCN1c1ccccc1C[NH2+]C ZINC000034824769 132336995 /nfs/dbraw/zinc/33/69/95/132336995.db2.gz YIHDNEQYTIGGPU-CQSZACIVSA-N 1 0 232.371 3.175 10 0 BGAERO CC[C@H]1CCCCN1c1ccccc1C[NH2+]C ZINC000034824770 132336998 /nfs/dbraw/zinc/33/69/98/132336998.db2.gz YIHDNEQYTIGGPU-AWEZNQCLSA-N 1 0 232.371 3.175 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)C1CCCC1 ZINC000034824811 170127917 /nfs/dbraw/zinc/12/79/17/170127917.db2.gz CEPNYUUHMAEASR-UHFFFAOYSA-N 1 0 232.371 3.175 10 0 BGAERO CCCN(CC)c1ccccc1C[NH2+]C(C)C ZINC000034824841 169133697 /nfs/dbraw/zinc/13/36/97/169133697.db2.gz IJQSAEQDAXPJBI-UHFFFAOYSA-N 1 0 234.387 3.421 10 0 BGAERO CCC[NH2+]Cc1ccccc1N(CC)CCC ZINC000034824842 169267946 /nfs/dbraw/zinc/26/79/46/169267946.db2.gz JTIMCVUMVSJNMS-UHFFFAOYSA-N 1 0 234.387 3.423 10 0 BGAERO CCCN(c1ccccc1C[NH2+]CC)C(C)C ZINC000034824879 169182258 /nfs/dbraw/zinc/18/22/58/169182258.db2.gz LLTMWDNOTQZQRB-UHFFFAOYSA-N 1 0 234.387 3.421 10 0 BGAERO CCC[NH2+]Cc1ccccc1N(C)CC(C)C ZINC000034824979 169267673 /nfs/dbraw/zinc/26/76/73/169267673.db2.gz OCNAYKDGTMEYDS-UHFFFAOYSA-N 1 0 234.387 3.278 10 0 BGAERO CC(C)[NH2+]Cc1c(Cl)cccc1-n1cccn1 ZINC000034825178 167116886 /nfs/dbraw/zinc/11/68/86/167116886.db2.gz AVTXFUALZIXRIE-UHFFFAOYSA-N 1 0 249.745 3.024 10 0 BGAERO CC(C)[NH2+]Cc1ccc(OC(C)C)c(F)c1 ZINC000034832797 167118859 /nfs/dbraw/zinc/11/88/59/167118859.db2.gz OBXKEMMHIPXXGK-UHFFFAOYSA-N 1 0 225.307 3.111 10 0 BGAERO CCC[NH2+]Cc1ccc(OC(C)C)c(F)c1 ZINC000034832799 169266800 /nfs/dbraw/zinc/26/68/00/169266800.db2.gz CFSFRPLFQHZRRV-UHFFFAOYSA-N 1 0 225.307 3.113 10 0 BGAERO CCC[NH2+]Cc1ccc(OC(C)(C)C)cc1 ZINC000034835191 169266946 /nfs/dbraw/zinc/26/69/46/169266946.db2.gz LGFGFJCQHAGENI-UHFFFAOYSA-N 1 0 221.344 3.364 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000034836239 167120469 /nfs/dbraw/zinc/12/04/69/167120469.db2.gz VURNDGSAIQXXNX-UHFFFAOYSA-N 1 0 242.322 3.372 10 0 BGAERO CCC[NH2+]Cc1ccccc1Oc1cccnc1 ZINC000034836241 169268458 /nfs/dbraw/zinc/26/84/58/169268458.db2.gz ACAJRPCAXKCBLL-UHFFFAOYSA-N 1 0 242.322 3.374 10 0 BGAERO CC[NH2+][C@@H](C)c1c(F)cccc1N1CCCC1 ZINC000034837244 170141111 /nfs/dbraw/zinc/14/11/11/170141111.db2.gz ZACGZUFUZJMPHU-NSHDSACASA-N 1 0 236.334 3.096 10 0 BGAERO CC[NH2+][C@H](C)c1c(F)cccc1N1CCCC1 ZINC000034837247 170159304 /nfs/dbraw/zinc/15/93/04/170159304.db2.gz ZACGZUFUZJMPHU-LLVKDONJSA-N 1 0 236.334 3.096 10 0 BGAERO C[NH2+][C@H](C)c1ccccc1N1CCCC[C@H]1C ZINC000034837493 536406557 /nfs/dbraw/zinc/40/65/57/536406557.db2.gz URTLJJKAFSAHIW-CHWSQXEVSA-N 1 0 232.371 3.346 10 0 BGAERO C[NH2+][C@H](C)c1ccccc1N1CCCC[C@@H]1C ZINC000034837497 536406776 /nfs/dbraw/zinc/40/67/76/536406776.db2.gz URTLJJKAFSAHIW-QWHCGFSZSA-N 1 0 232.371 3.346 10 0 BGAERO C[NH2+][C@H](C)c1ccccc1N1CCC[C@@H](C)C1 ZINC000034837963 536406721 /nfs/dbraw/zinc/40/67/21/536406721.db2.gz IEONUKVAQXYXHF-CHWSQXEVSA-N 1 0 232.371 3.203 10 0 BGAERO C[NH2+][C@H](C)c1ccccc1N1CCC[C@H](C)C1 ZINC000034837966 536406571 /nfs/dbraw/zinc/40/65/71/536406571.db2.gz IEONUKVAQXYXHF-QWHCGFSZSA-N 1 0 232.371 3.203 10 0 BGAERO CC[NH2+][C@@H](C)c1c(F)cccc1N(C)C(C)C ZINC000034839247 170140780 /nfs/dbraw/zinc/14/07/80/170140780.db2.gz CDADXRXPVXAQGJ-NSHDSACASA-N 1 0 238.350 3.341 10 0 BGAERO CC[NH2+][C@H](C)c1c(F)cccc1N(C)C(C)C ZINC000034839251 170159433 /nfs/dbraw/zinc/15/94/33/170159433.db2.gz CDADXRXPVXAQGJ-LLVKDONJSA-N 1 0 238.350 3.341 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1N1CCCCC1 ZINC000034840139 132337003 /nfs/dbraw/zinc/33/70/03/132337003.db2.gz JJYMHSCUFNUXER-ZDUSSCGKSA-N 1 0 232.371 3.347 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1N1CCCCC1 ZINC000034840141 535516661 /nfs/dbraw/zinc/51/66/61/535516661.db2.gz JJYMHSCUFNUXER-CYBMUJFWSA-N 1 0 232.371 3.347 10 0 BGAERO C[NH2+][C@@H](C)c1cc(F)ccc1N1CCCCC1 ZINC000034840195 536351270 /nfs/dbraw/zinc/35/12/70/536351270.db2.gz ZPWSSJXSLHDDRW-NSHDSACASA-N 1 0 236.334 3.096 10 0 BGAERO C[NH2+][C@H](C)c1cc(F)ccc1N1CCCCC1 ZINC000034840197 536406480 /nfs/dbraw/zinc/40/64/80/536406480.db2.gz ZPWSSJXSLHDDRW-LLVKDONJSA-N 1 0 236.334 3.096 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1N(CC)C1CC1 ZINC000034841024 170141565 /nfs/dbraw/zinc/14/15/65/170141565.db2.gz LQWZUAHPEQRIGO-LBPRGKRZSA-N 1 0 232.371 3.346 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1N(CC)C1CC1 ZINC000034841026 170160048 /nfs/dbraw/zinc/16/00/48/170160048.db2.gz LQWZUAHPEQRIGO-GFCCVEGCSA-N 1 0 232.371 3.346 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccccc1N(C)C1CC1 ZINC000034841073 169276816 /nfs/dbraw/zinc/27/68/16/169276816.db2.gz DBAMEAUBRVGOQD-LBPRGKRZSA-N 1 0 232.371 3.346 10 0 BGAERO CCC[NH2+][C@H](C)c1ccccc1N(C)C1CC1 ZINC000034841075 169286679 /nfs/dbraw/zinc/28/66/79/169286679.db2.gz DBAMEAUBRVGOQD-GFCCVEGCSA-N 1 0 232.371 3.346 10 0 BGAERO CCCN(CC)c1ccc(F)cc1[C@@H](C)[NH2+]C ZINC000034841300 169133509 /nfs/dbraw/zinc/13/35/09/169133509.db2.gz VWCIYICEAWHQOI-LLVKDONJSA-N 1 0 238.350 3.342 10 0 BGAERO CCCN(CC)c1ccc(F)cc1[C@H](C)[NH2+]C ZINC000034841302 169133800 /nfs/dbraw/zinc/13/38/00/169133800.db2.gz VWCIYICEAWHQOI-NSHDSACASA-N 1 0 238.350 3.342 10 0 BGAERO CCCN(c1ccccc1[C@@H](C)[NH2+]C)C1CC1 ZINC000034841372 169182894 /nfs/dbraw/zinc/18/28/94/169182894.db2.gz PONAMYKKFADDKP-GFCCVEGCSA-N 1 0 232.371 3.346 10 0 BGAERO CCCN(c1ccccc1[C@H](C)[NH2+]C)C1CC1 ZINC000034841373 169182954 /nfs/dbraw/zinc/18/29/54/169182954.db2.gz PONAMYKKFADDKP-LBPRGKRZSA-N 1 0 232.371 3.346 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1N(C)CC(C)C ZINC000034841474 170142079 /nfs/dbraw/zinc/14/20/79/170142079.db2.gz IRIAYLCNQAVFQM-ZDUSSCGKSA-N 1 0 234.387 3.449 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1N(C)CC(C)C ZINC000034841475 170160191 /nfs/dbraw/zinc/16/01/91/170160191.db2.gz IRIAYLCNQAVFQM-CYBMUJFWSA-N 1 0 234.387 3.449 10 0 BGAERO CC[C@H](C)N(C)c1cccc(F)c1[C@@H](C)[NH2+]C ZINC000034841547 171309408 /nfs/dbraw/zinc/30/94/08/171309408.db2.gz KAYVOPFMOIPGFL-WDEREUQCSA-N 1 0 238.350 3.341 10 0 BGAERO CC[C@H](C)N(C)c1ccc(F)cc1[C@@H](C)[NH2+]C ZINC000034841570 171310200 /nfs/dbraw/zinc/31/02/00/171310200.db2.gz LCOAUEKWQKKVLD-WDEREUQCSA-N 1 0 238.350 3.341 10 0 BGAERO C[NH2+][C@H](C)c1ccc(OCc2ccco2)cc1 ZINC000034842293 173449268 /nfs/dbraw/zinc/44/92/68/173449268.db2.gz UNQJTMMVUJDPIL-LLVKDONJSA-N 1 0 231.295 3.139 10 0 BGAERO CCCOc1ccc(F)cc1[C@@H](C)[NH2+]CC ZINC000034845557 169318941 /nfs/dbraw/zinc/31/89/41/169318941.db2.gz AVNLONQEPHVALI-SNVBAGLBSA-N 1 0 225.307 3.285 10 0 BGAERO CCCOc1ccc(F)cc1[C@H](C)[NH2+]CC ZINC000034845559 169319457 /nfs/dbraw/zinc/31/94/57/169319457.db2.gz AVNLONQEPHVALI-JTQLQIEISA-N 1 0 225.307 3.285 10 0 BGAERO CCCOc1ccc([C@@H](C)[NH2+]CC)cc1F ZINC000034845568 169320560 /nfs/dbraw/zinc/32/05/60/169320560.db2.gz FMFIHPCAEHQVHT-SNVBAGLBSA-N 1 0 225.307 3.285 10 0 BGAERO CCCOc1ccc([C@H](C)[NH2+]CC)cc1F ZINC000034845570 169321582 /nfs/dbraw/zinc/32/15/82/169321582.db2.gz FMFIHPCAEHQVHT-JTQLQIEISA-N 1 0 225.307 3.285 10 0 BGAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(-c2ccco2)cc1 ZINC000034893391 181468337 /nfs/dbraw/zinc/46/83/37/181468337.db2.gz JSZYANZDIBVBQR-CHWSQXEVSA-N 1 0 213.280 3.009 10 0 BGAERO C[N@@H+]1C[C@@H]2C[C@]2(c2ccc3ccccc3c2)C1 ZINC000034894427 173190582 /nfs/dbraw/zinc/19/05/82/173190582.db2.gz COLJOGVSPPXZNW-JKSUJKDBSA-N 1 0 223.319 3.043 10 0 BGAERO C[N@@H+]1C[C@@H]2C[C@]2(c2ccc(Cl)cc2Cl)C1 ZINC000034894435 173189631 /nfs/dbraw/zinc/18/96/31/173189631.db2.gz NINMSEOZKXYKQY-UFBFGSQYSA-N 1 0 242.149 3.197 10 0 BGAERO CCCCC[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000034937977 351353129 /nfs/dbraw/zinc/35/31/29/351353129.db2.gz OPOJXZIAKXVACR-MRXNPFEDSA-N 1 0 246.398 3.041 10 0 BGAERO CCCCC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000034937978 351353293 /nfs/dbraw/zinc/35/32/93/351353293.db2.gz OPOJXZIAKXVACR-INIZCTEOSA-N 1 0 246.398 3.041 10 0 BGAERO C[C@@H]1CCc2ccccc2N1c1cc[nH+]cc1N ZINC000034938911 132337353 /nfs/dbraw/zinc/33/73/53/132337353.db2.gz YDQPUOOHZGJROU-LLVKDONJSA-N 1 0 239.322 3.137 10 0 BGAERO C[C@H]1CCc2ccccc2N1c1cc[nH+]cc1N ZINC000034938912 132337343 /nfs/dbraw/zinc/33/73/43/132337343.db2.gz YDQPUOOHZGJROU-NSHDSACASA-N 1 0 239.322 3.137 10 0 BGAERO Cc1ccc2c(c1)CCCN2c1cc[nH+]cc1N ZINC000034938913 132337193 /nfs/dbraw/zinc/33/71/93/132337193.db2.gz FSHYMOOZHBLECQ-UHFFFAOYSA-N 1 0 239.322 3.057 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000034939095 351354561 /nfs/dbraw/zinc/35/45/61/351354561.db2.gz XOVZFJCIZNPAIM-HQJQHLMTSA-N 1 0 237.734 3.262 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000034939096 171397414 /nfs/dbraw/zinc/39/74/14/171397414.db2.gz XOVZFJCIZNPAIM-CPCISQLKSA-N 1 0 237.734 3.262 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000034939097 351354808 /nfs/dbraw/zinc/35/48/08/351354808.db2.gz XOVZFJCIZNPAIM-RDDDGLTNSA-N 1 0 237.734 3.262 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000034939098 171372398 /nfs/dbraw/zinc/37/23/98/171372398.db2.gz XOVZFJCIZNPAIM-WRWORJQWSA-N 1 0 237.734 3.262 10 0 BGAERO CC(C)C[C@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000034939105 188284946 /nfs/dbraw/zinc/28/49/46/188284946.db2.gz HHEHVQCKUXYZLV-VIFPVBQESA-N 1 0 237.734 3.262 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000034939106 351354651 /nfs/dbraw/zinc/35/46/51/351354651.db2.gz HHEHVQCKUXYZLV-SECBINFHSA-N 1 0 237.734 3.262 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(Cl)s1 ZINC000034939181 351354590 /nfs/dbraw/zinc/35/45/90/351354590.db2.gz QBJDTAAINRJLBC-MUWHJKNJSA-N 1 0 203.738 3.447 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1ccc(Cl)s1 ZINC000034939182 171396872 /nfs/dbraw/zinc/39/68/72/171396872.db2.gz QBJDTAAINRJLBC-RCOVLWMOSA-N 1 0 203.738 3.447 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000034939183 351354180 /nfs/dbraw/zinc/35/41/80/351354180.db2.gz QBJDTAAINRJLBC-HZGVNTEJSA-N 1 0 203.738 3.447 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000034939184 171372054 /nfs/dbraw/zinc/37/20/54/171372054.db2.gz QBJDTAAINRJLBC-IMTBSYHQSA-N 1 0 203.738 3.447 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc(Cl)s1 ZINC000034939199 351354496 /nfs/dbraw/zinc/35/44/96/351354496.db2.gz HKHIXWRQVZVUGV-ZETCQYMHSA-N 1 0 203.738 3.447 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000034939200 188467136 /nfs/dbraw/zinc/46/71/36/188467136.db2.gz HKHIXWRQVZVUGV-SSDOTTSWSA-N 1 0 203.738 3.447 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000034939234 351354285 /nfs/dbraw/zinc/35/42/85/351354285.db2.gz XYDYEVHYZRGDKZ-QMMMGPOBSA-N 1 0 203.738 3.447 10 0 BGAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000034939243 351354452 /nfs/dbraw/zinc/35/44/52/351354452.db2.gz BKFNSBUTBNXMJD-JHEQGTHGSA-N 1 0 201.722 3.057 10 0 BGAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000034939245 351354506 /nfs/dbraw/zinc/35/45/06/351354506.db2.gz BKFNSBUTBNXMJD-KCRUCZTKSA-N 1 0 201.722 3.057 10 0 BGAERO Clc1ccc2oc([C@@H]3CCCC[NH2+]3)nc2c1 ZINC000034939391 351355455 /nfs/dbraw/zinc/35/54/55/351355455.db2.gz GXIPAJHVVPESES-VIFPVBQESA-N 1 0 236.702 3.296 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034939653 170796440 /nfs/dbraw/zinc/79/64/40/170796440.db2.gz CXJGHGZUBIFKGD-YGRLFVJLSA-N 1 0 203.329 3.221 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034939654 171397084 /nfs/dbraw/zinc/39/70/84/171397084.db2.gz CXJGHGZUBIFKGD-HZMBPMFUSA-N 1 0 203.329 3.221 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034939655 351355503 /nfs/dbraw/zinc/35/55/03/351355503.db2.gz CXJGHGZUBIFKGD-QMTHXVAHSA-N 1 0 203.329 3.221 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCC2 ZINC000034939656 171372206 /nfs/dbraw/zinc/37/22/06/171372206.db2.gz CXJGHGZUBIFKGD-IINYFYTJSA-N 1 0 203.329 3.221 10 0 BGAERO [NH3+][C@H](c1ccc2c(c1)CCC2)c1ccccc1F ZINC000034939659 351355989 /nfs/dbraw/zinc/35/59/89/351355989.db2.gz GIPGQIHGJACORN-MRXNPFEDSA-N 1 0 241.309 3.363 10 0 BGAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)c1ccccc1F ZINC000034939660 351355825 /nfs/dbraw/zinc/35/58/25/351355825.db2.gz GIPGQIHGJACORN-INIZCTEOSA-N 1 0 241.309 3.363 10 0 BGAERO [NH3+][C@H](c1ccc2c(c1)CCC2)c1cccc(F)c1 ZINC000034939663 351355672 /nfs/dbraw/zinc/35/56/72/351355672.db2.gz UAZJUYNXHTYHJY-INIZCTEOSA-N 1 0 241.309 3.363 10 0 BGAERO [NH3+][C@@H](c1ccc2c(c1)CCC2)c1cccc(F)c1 ZINC000034939664 351355444 /nfs/dbraw/zinc/35/54/44/351355444.db2.gz UAZJUYNXHTYHJY-MRXNPFEDSA-N 1 0 241.309 3.363 10 0 BGAERO CC(C)(C)[C@H]([NH3+])Cc1nc2ccccc2s1 ZINC000034940392 187257273 /nfs/dbraw/zinc/25/72/73/187257273.db2.gz NZRGXJILZQQKDX-LLVKDONJSA-N 1 0 234.368 3.212 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])Cc1nc2ccccc2s1 ZINC000034940393 517385139 /nfs/dbraw/zinc/38/51/39/517385139.db2.gz NZRGXJILZQQKDX-NSHDSACASA-N 1 0 234.368 3.212 10 0 BGAERO [NH3+][C@@H](Cc1nc2ccccc2s1)C1CCCC1 ZINC000034940394 351357082 /nfs/dbraw/zinc/35/70/82/351357082.db2.gz SGNBSQPAEWHHEG-NSHDSACASA-N 1 0 246.379 3.356 10 0 BGAERO [NH3+][C@H](Cc1nc2ccccc2s1)C1CCCC1 ZINC000034940395 351356599 /nfs/dbraw/zinc/35/65/99/351356599.db2.gz SGNBSQPAEWHHEG-LLVKDONJSA-N 1 0 246.379 3.356 10 0 BGAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)c1ccco1 ZINC000034940404 351356854 /nfs/dbraw/zinc/35/68/54/351356854.db2.gz BKAGGXOSJPFBAG-ZDUSSCGKSA-N 1 0 238.290 3.070 10 0 BGAERO [NH3+][C@H](Cc1ccc2ccccc2n1)c1ccco1 ZINC000034940405 351356605 /nfs/dbraw/zinc/35/66/05/351356605.db2.gz BKAGGXOSJPFBAG-CYBMUJFWSA-N 1 0 238.290 3.070 10 0 BGAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)c1ccoc1 ZINC000034940406 351356545 /nfs/dbraw/zinc/35/65/45/351356545.db2.gz HFBSHXBVVQYXNB-AWEZNQCLSA-N 1 0 238.290 3.070 10 0 BGAERO [NH3+][C@H](Cc1ccc2ccccc2n1)c1ccoc1 ZINC000034940407 351357156 /nfs/dbraw/zinc/35/71/56/351357156.db2.gz HFBSHXBVVQYXNB-CQSZACIVSA-N 1 0 238.290 3.070 10 0 BGAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)C1CCCC1 ZINC000034940430 351357213 /nfs/dbraw/zinc/35/72/13/351357213.db2.gz BWUHHLPFFTYYIM-HNNXBMFYSA-N 1 0 240.350 3.295 10 0 BGAERO [NH3+][C@H](Cc1ccc2ccccc2n1)C1CCCC1 ZINC000034940431 351357143 /nfs/dbraw/zinc/35/71/43/351357143.db2.gz BWUHHLPFFTYYIM-OAHLLOKOSA-N 1 0 240.350 3.295 10 0 BGAERO [NH3+][C@H](Cc1ccc2ccccc2n1)c1ccccc1 ZINC000034940440 351356476 /nfs/dbraw/zinc/35/64/76/351356476.db2.gz HMHMGWBIDYHAMN-MRXNPFEDSA-N 1 0 248.329 3.477 10 0 BGAERO [NH3+][C@@H](Cc1ccc2ccccc2n1)c1ccccc1 ZINC000034940441 181555728 /nfs/dbraw/zinc/55/57/28/181555728.db2.gz HMHMGWBIDYHAMN-INIZCTEOSA-N 1 0 248.329 3.477 10 0 BGAERO COc1ccc(Cl)cc1C1(C[NH3+])CCCC1 ZINC000034940523 175120223 /nfs/dbraw/zinc/12/02/23/175120223.db2.gz UYOKPFLLFKULIM-UHFFFAOYSA-N 1 0 239.746 3.119 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cc(C)sc2C)cc1 ZINC000034940790 187257593 /nfs/dbraw/zinc/25/75/93/187257593.db2.gz HBLWTAFYKDMCRU-CQSZACIVSA-N 1 0 247.363 3.422 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cc(C)sc2C)cc1 ZINC000034940791 175192753 /nfs/dbraw/zinc/19/27/53/175192753.db2.gz HBLWTAFYKDMCRU-AWEZNQCLSA-N 1 0 247.363 3.422 10 0 BGAERO CC(C)Oc1ccc([C@@H]([NH3+])C(C)C)cc1 ZINC000034956744 167298296 /nfs/dbraw/zinc/29/82/96/167298296.db2.gz YOYAKYPHFODKCJ-ZDUSSCGKSA-N 1 0 207.317 3.130 10 0 BGAERO CC(C)Oc1ccc([C@H]([NH3+])C(C)C)cc1 ZINC000034956745 167300368 /nfs/dbraw/zinc/30/03/68/167300368.db2.gz YOYAKYPHFODKCJ-CYBMUJFWSA-N 1 0 207.317 3.130 10 0 BGAERO CCN(c1ccc(CO)cc1)C1CCCCC1 ZINC000034956818 351362039 /nfs/dbraw/zinc/36/20/39/351362039.db2.gz MFFBCYXMHXFPOW-UHFFFAOYSA-N 1 0 233.355 3.338 10 0 BGAERO CCCc1ccc(N[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000034956965 351362069 /nfs/dbraw/zinc/36/20/69/351362069.db2.gz KTAHGFWBLQMJGO-MRXNPFEDSA-N 1 0 244.382 3.145 10 0 BGAERO CCCc1ccc(N[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000034956966 351361940 /nfs/dbraw/zinc/36/19/40/351361940.db2.gz KTAHGFWBLQMJGO-INIZCTEOSA-N 1 0 244.382 3.145 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])C1CCCCC1 ZINC000034957119 175134750 /nfs/dbraw/zinc/13/47/50/175134750.db2.gz DXWZBDCQDUKAFK-CQSZACIVSA-N 1 0 237.318 3.414 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])C1CCCCC1 ZINC000034957120 175132566 /nfs/dbraw/zinc/13/25/66/175132566.db2.gz DXWZBDCQDUKAFK-AWEZNQCLSA-N 1 0 237.318 3.414 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])C1CCCC1 ZINC000034957129 175134377 /nfs/dbraw/zinc/13/43/77/175134377.db2.gz BVAOLIOFLXOJGQ-CYBMUJFWSA-N 1 0 223.291 3.024 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])C1CCCC1 ZINC000034957130 175132243 /nfs/dbraw/zinc/13/22/43/175132243.db2.gz BVAOLIOFLXOJGQ-ZDUSSCGKSA-N 1 0 223.291 3.024 10 0 BGAERO COc1ccc(C[NH3+])cc1OCC1CCCCC1 ZINC000034957156 175097299 /nfs/dbraw/zinc/09/72/99/175097299.db2.gz VMULENCXMPJURE-UHFFFAOYSA-N 1 0 249.354 3.113 10 0 BGAERO C[C@@H]1CCC[C@H](OCc2cccc(C[NH3+])c2)C1 ZINC000034958143 176146035 /nfs/dbraw/zinc/14/60/35/176146035.db2.gz USHTZXWXSMEDBJ-DOMZBBRYSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCC[C@H](OCc2cccc(C[NH3+])c2)C1 ZINC000034958144 177138569 /nfs/dbraw/zinc/13/85/69/177138569.db2.gz USHTZXWXSMEDBJ-WFASDCNBSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1CCC[C@@H](OCc2cccc(C[NH3+])c2)C1 ZINC000034958145 176125092 /nfs/dbraw/zinc/12/50/92/176125092.db2.gz USHTZXWXSMEDBJ-IUODEOHRSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCC[C@@H](OCc2cccc(C[NH3+])c2)C1 ZINC000034958146 177123676 /nfs/dbraw/zinc/12/36/76/177123676.db2.gz USHTZXWXSMEDBJ-SWLSCSKDSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1CCC[C@H](OCc2ccccc2C[NH3+])C1 ZINC000034958155 176146310 /nfs/dbraw/zinc/14/63/10/176146310.db2.gz UHNCUHCFRGITRS-DOMZBBRYSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCC[C@H](OCc2ccccc2C[NH3+])C1 ZINC000034958156 177138644 /nfs/dbraw/zinc/13/86/44/177138644.db2.gz UHNCUHCFRGITRS-WFASDCNBSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1CCC[C@@H](OCc2ccccc2C[NH3+])C1 ZINC000034958157 176125501 /nfs/dbraw/zinc/12/55/01/176125501.db2.gz UHNCUHCFRGITRS-IUODEOHRSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCC[C@@H](OCc2ccccc2C[NH3+])C1 ZINC000034958158 177123715 /nfs/dbraw/zinc/12/37/15/177123715.db2.gz UHNCUHCFRGITRS-SWLSCSKDSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1CCC[C@H](OCc2ccc(C[NH3+])cc2)C1 ZINC000034958159 176145965 /nfs/dbraw/zinc/14/59/65/176145965.db2.gz DOFYGTUNYGSCOE-DOMZBBRYSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@H]1CCC[C@H](OCc2ccc(C[NH3+])cc2)C1 ZINC000034958160 177138004 /nfs/dbraw/zinc/13/80/04/177138004.db2.gz DOFYGTUNYGSCOE-WFASDCNBSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1CCC[C@@H](OCc2ccc(C[NH3+])cc2)C1 ZINC000034958161 176125254 /nfs/dbraw/zinc/12/52/54/176125254.db2.gz DOFYGTUNYGSCOE-IUODEOHRSA-N 1 0 233.355 3.241 10 0 BGAERO C[C@@H]1C[C@H](O[C@@H]2CCC[C@@H]2[NH3+])CC(C)(C)C1 ZINC000034958168 176429729 /nfs/dbraw/zinc/42/97/29/176429729.db2.gz BZIYGBZOQGDKNR-MROQNXINSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@H]1C[C@H](O[C@@H]2CCC[C@@H]2[NH3+])CC(C)(C)C1 ZINC000034958169 177374627 /nfs/dbraw/zinc/37/46/27/177374627.db2.gz BZIYGBZOQGDKNR-ZDEQEGDKSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1C[C@@H](O[C@@H]2CCC[C@@H]2[NH3+])CC(C)(C)C1 ZINC000034958170 176383736 /nfs/dbraw/zinc/38/37/36/176383736.db2.gz BZIYGBZOQGDKNR-FVCCEPFGSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000034958216 176145954 /nfs/dbraw/zinc/14/59/54/176145954.db2.gz MGEJSRJZHXJFFP-ZOBORPQBSA-N 1 0 225.376 3.242 10 0 BGAERO C[C@H]1CCC[C@H](O[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000034958217 177137896 /nfs/dbraw/zinc/13/78/96/177137896.db2.gz MGEJSRJZHXJFFP-XDQVBPFNSA-N 1 0 225.376 3.242 10 0 BGAERO C[C@@H]1CCC[C@@H](O[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000034958218 176125460 /nfs/dbraw/zinc/12/54/60/176125460.db2.gz MGEJSRJZHXJFFP-YIYPIFLZSA-N 1 0 225.376 3.242 10 0 BGAERO C[C@H]1CCC[C@@H](O[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000034958219 177123719 /nfs/dbraw/zinc/12/37/19/177123719.db2.gz MGEJSRJZHXJFFP-RFQIPJPRSA-N 1 0 225.376 3.242 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])[C@H](O[C@H]2CCC[C@@H](C)C2)C1 ZINC000034958220 176145952 /nfs/dbraw/zinc/14/59/52/176145952.db2.gz ULHMOODOKDYYEJ-PEBLQZBPSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])[C@H](O[C@H]2CCC[C@H](C)C2)C1 ZINC000034958221 177137961 /nfs/dbraw/zinc/13/79/61/177137961.db2.gz ULHMOODOKDYYEJ-ZUWCUPBKSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1CCC[C@@H](O[C@@H]2C[C@H](C)CC[C@@H]2[NH3+])C1 ZINC000034958222 176125413 /nfs/dbraw/zinc/12/54/13/176125413.db2.gz ULHMOODOKDYYEJ-XGFWRYKXSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])[C@H](O[C@@H]2CCC[C@H](C)C2)C1 ZINC000034958223 177123368 /nfs/dbraw/zinc/12/33/68/177123368.db2.gz ULHMOODOKDYYEJ-MQLXINIDSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC000034958232 176145837 /nfs/dbraw/zinc/14/58/37/176145837.db2.gz HOMWVKDJRPERDB-JMGFVUJMSA-N 1 0 245.366 3.206 10 0 BGAERO C[C@@H]1CCC[C@@H](O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC000034958234 176125249 /nfs/dbraw/zinc/12/52/49/176125249.db2.gz HOMWVKDJRPERDB-CUBALJKWSA-N 1 0 245.366 3.206 10 0 BGAERO C[C@H]1CCC[C@@H](O[C@@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC000034958235 177123667 /nfs/dbraw/zinc/12/36/67/177123667.db2.gz HOMWVKDJRPERDB-ZCDTZLGTSA-N 1 0 245.366 3.206 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCC2)cc1Cl ZINC000034958752 175191129 /nfs/dbraw/zinc/19/11/29/175191129.db2.gz FFGAVDQQKLRZDN-GFCCVEGCSA-N 1 0 225.719 3.149 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCC2)cc1Cl ZINC000034958753 175179420 /nfs/dbraw/zinc/17/94/20/175179420.db2.gz FFGAVDQQKLRZDN-LBPRGKRZSA-N 1 0 225.719 3.149 10 0 BGAERO CCCCCN(CCC[NH3+])c1ccc(F)cc1 ZINC000034959939 168689987 /nfs/dbraw/zinc/68/99/87/168689987.db2.gz YMEATTLYLOMAMH-UHFFFAOYSA-N 1 0 238.350 3.171 10 0 BGAERO C[C@@]([NH3+])(Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000034962528 176511999 /nfs/dbraw/zinc/51/19/99/176511999.db2.gz UIFBUJSZPWESFN-OAHLLOKOSA-N 1 0 247.288 3.381 10 0 BGAERO Cc1cccc(C[C@](C)([NH3+])c2ccccc2)c1 ZINC000034962769 179106738 /nfs/dbraw/zinc/10/67/38/179106738.db2.gz SDIAULAVTWMXQX-INIZCTEOSA-N 1 0 225.335 3.412 10 0 BGAERO Cc1cccc(C[C@@](C)([NH3+])c2ccccc2)c1 ZINC000034962770 179104226 /nfs/dbraw/zinc/10/42/26/179104226.db2.gz SDIAULAVTWMXQX-MRXNPFEDSA-N 1 0 225.335 3.412 10 0 BGAERO FC(F)Oc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000034963105 351367602 /nfs/dbraw/zinc/36/76/02/351367602.db2.gz LWMZAJNWJIKHSJ-NSHDSACASA-N 1 0 227.254 3.103 10 0 BGAERO FC(F)Oc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000034963107 351367589 /nfs/dbraw/zinc/36/75/89/351367589.db2.gz LWMZAJNWJIKHSJ-LLVKDONJSA-N 1 0 227.254 3.103 10 0 BGAERO CCCCc1ccc([C@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000034963467 169024198 /nfs/dbraw/zinc/02/41/98/169024198.db2.gz GAADVEOJDZUECK-CVEARBPZSA-N 1 0 247.382 3.062 10 0 BGAERO CCCCc1ccc([C@@H](O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000034963469 169023552 /nfs/dbraw/zinc/02/35/52/169023552.db2.gz GAADVEOJDZUECK-HZPDHXFCSA-N 1 0 247.382 3.062 10 0 BGAERO CCCCc1ccc([C@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000034963471 169025014 /nfs/dbraw/zinc/02/50/14/169025014.db2.gz GAADVEOJDZUECK-HOTGVXAUSA-N 1 0 247.382 3.062 10 0 BGAERO CCCCc1ccc([C@@H](O)[C@H]2CCC[NH2+]C2)cc1 ZINC000034963473 169023759 /nfs/dbraw/zinc/02/37/59/169023759.db2.gz GAADVEOJDZUECK-JKSUJKDBSA-N 1 0 247.382 3.062 10 0 BGAERO Cc1ccc(CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000034963572 178536890 /nfs/dbraw/zinc/53/68/90/178536890.db2.gz OJYCMKUOYADORF-AWEZNQCLSA-N 1 0 203.329 3.070 10 0 BGAERO Cc1ccc(CC[C@H]2CCCC[NH2+]2)cc1 ZINC000034963574 343281981 /nfs/dbraw/zinc/28/19/81/343281981.db2.gz OJYCMKUOYADORF-CQSZACIVSA-N 1 0 203.329 3.070 10 0 BGAERO COc1ccc2c(C)c([C@H]([NH3+])C(C)C)oc2c1 ZINC000034972239 175203961 /nfs/dbraw/zinc/20/39/61/175203961.db2.gz DJFASVYLPBYXAS-CYBMUJFWSA-N 1 0 233.311 3.406 10 0 BGAERO COc1ccc2c(C)c([C@@H]([NH3+])C(C)C)oc2c1 ZINC000034972241 175203980 /nfs/dbraw/zinc/20/39/80/175203980.db2.gz DJFASVYLPBYXAS-ZDUSSCGKSA-N 1 0 233.311 3.406 10 0 BGAERO COc1ccc2oc([C@H]([NH3+])C(C)C)c(C)c2c1 ZINC000034972325 175232231 /nfs/dbraw/zinc/23/22/31/175232231.db2.gz NEXXWNBKRMWNKH-CYBMUJFWSA-N 1 0 233.311 3.406 10 0 BGAERO COc1ccc2oc([C@@H]([NH3+])C(C)C)c(C)c2c1 ZINC000034972327 175231563 /nfs/dbraw/zinc/23/15/63/175231563.db2.gz NEXXWNBKRMWNKH-ZDUSSCGKSA-N 1 0 233.311 3.406 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OCC[C@@H]1CCCC[NH2+]1 ZINC000034972558 176082968 /nfs/dbraw/zinc/08/29/68/176082968.db2.gz JKWCZVGINNNXDO-RDBSUJKOSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@H]1CCCC[C@@H]1OCC[C@@H]1CCCC[NH2+]1 ZINC000034972559 177084646 /nfs/dbraw/zinc/08/46/46/177084646.db2.gz JKWCZVGINNNXDO-IHRRRGAJSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@H]1CCCC[C@H]1OCC[C@@H]1CCCC[NH2+]1 ZINC000034972561 176090207 /nfs/dbraw/zinc/09/02/07/176090207.db2.gz JKWCZVGINNNXDO-HZSPNIEDSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@H]1CCCC[C@H]1OCC[C@@H]1CCCC[NH2+]1 ZINC000034972563 177089705 /nfs/dbraw/zinc/08/97/05/177089705.db2.gz JKWCZVGINNNXDO-MELADBBJSA-N 1 0 225.376 3.114 10 0 BGAERO CCC(CC)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000034973328 168390790 /nfs/dbraw/zinc/39/07/90/168390790.db2.gz LBEJWLQRYJTGEN-MRXNPFEDSA-N 1 0 246.398 3.039 10 0 BGAERO CCC(CC)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000034973330 168394192 /nfs/dbraw/zinc/39/41/92/168394192.db2.gz LBEJWLQRYJTGEN-INIZCTEOSA-N 1 0 246.398 3.039 10 0 BGAERO O=C(c1csc2ccccc12)[C@@H]1CCC[NH2+]C1 ZINC000034973435 351371697 /nfs/dbraw/zinc/37/16/97/351371697.db2.gz UXQRGWMZNSQPJW-SNVBAGLBSA-N 1 0 245.347 3.084 10 0 BGAERO O=C(c1csc2ccccc12)[C@H]1CCC[NH2+]C1 ZINC000034973437 351371534 /nfs/dbraw/zinc/37/15/34/351371534.db2.gz UXQRGWMZNSQPJW-JTQLQIEISA-N 1 0 245.347 3.084 10 0 BGAERO [NH3+][C@H]1CCCOc2c(Cl)ccc(Cl)c21 ZINC000034975028 351369409 /nfs/dbraw/zinc/36/94/09/351369409.db2.gz CZFFJRGWBBZNIO-QMMMGPOBSA-N 1 0 232.110 3.166 10 0 BGAERO CC(C)(C)c1ccc2c(c1)[C@H]([NH3+])CCCO2 ZINC000034975033 188082243 /nfs/dbraw/zinc/08/22/43/188082243.db2.gz AKZKCVBUIJXLAQ-GFCCVEGCSA-N 1 0 219.328 3.157 10 0 BGAERO [NH3+][C@H]1CCCSc2c(Cl)cccc21 ZINC000034975095 351369673 /nfs/dbraw/zinc/36/96/73/351369673.db2.gz QIJCJWKLRCWROB-VIFPVBQESA-N 1 0 213.733 3.226 10 0 BGAERO [NH3+][C@@H]1CCCSc2c(Cl)cccc21 ZINC000034975097 351369899 /nfs/dbraw/zinc/36/98/99/351369899.db2.gz QIJCJWKLRCWROB-SECBINFHSA-N 1 0 213.733 3.226 10 0 BGAERO Cc1c2cc(F)ccc2sc1[C@@H](C)[NH3+] ZINC000034975135 351370049 /nfs/dbraw/zinc/37/00/49/351370049.db2.gz UTKOAWQMOZIINE-SSDOTTSWSA-N 1 0 209.289 3.369 10 0 BGAERO Cc1c2cc(F)ccc2sc1[C@H](C)[NH3+] ZINC000034975137 351369696 /nfs/dbraw/zinc/36/96/96/351369696.db2.gz UTKOAWQMOZIINE-ZETCQYMHSA-N 1 0 209.289 3.369 10 0 BGAERO Cc1cc(C[NH2+]C(C)C)c2ccccc2n1 ZINC000034977696 178016654 /nfs/dbraw/zinc/01/66/54/178016654.db2.gz FOGQWENPVGIBDW-UHFFFAOYSA-N 1 0 214.312 3.041 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000034978278 171396798 /nfs/dbraw/zinc/39/67/98/171396798.db2.gz HOPSYLUJKHHQCD-BONVTDFDSA-N 1 0 246.354 3.007 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000034978281 171372737 /nfs/dbraw/zinc/37/27/37/171372737.db2.gz HOPSYLUJKHHQCD-ZUZCIYMTSA-N 1 0 246.354 3.007 10 0 BGAERO Cc1ccc(C(=O)C[NH+]2CCCCCC2)cc1 ZINC000034981369 178373016 /nfs/dbraw/zinc/37/30/16/178373016.db2.gz AJJNHVCBFOXXBU-UHFFFAOYSA-N 1 0 231.339 3.054 10 0 BGAERO Cc1ccc(C(=O)C[NH+]2CCCCCC2)cc1C ZINC000034981370 178373022 /nfs/dbraw/zinc/37/30/22/178373022.db2.gz ZSMASTMEPUYMME-UHFFFAOYSA-N 1 0 245.366 3.362 10 0 BGAERO Cc1ccc(C(=O)C[NH+]2CCCCCC2)c(C)c1 ZINC000034981378 178373079 /nfs/dbraw/zinc/37/30/79/178373079.db2.gz NKLPVZDAFVLDEK-UHFFFAOYSA-N 1 0 245.366 3.362 10 0 BGAERO C[N@@H+]1C[C@@H]2C[C@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000034986879 173189436 /nfs/dbraw/zinc/18/94/36/173189436.db2.gz MBFDPIYMOIZLLZ-JOYOIKCWSA-N 1 0 242.149 3.197 10 0 BGAERO C[N@@H+]1C[C@H]2C[C@@]2(c2ccc(Cl)c(Cl)c2)C1 ZINC000034986880 173199757 /nfs/dbraw/zinc/19/97/57/173199757.db2.gz MBFDPIYMOIZLLZ-SKDRFNHKSA-N 1 0 242.149 3.197 10 0 BGAERO C[N@@H+]1C[C@H]2C[C@@]2(c2ccc3ccccc3c2)C1 ZINC000034986999 173199688 /nfs/dbraw/zinc/19/96/88/173199688.db2.gz COLJOGVSPPXZNW-CVEARBPZSA-N 1 0 223.319 3.043 10 0 BGAERO CCC[NH+](CCC)CC(=O)c1ccc(F)cc1 ZINC000034989385 169146856 /nfs/dbraw/zinc/14/68/56/169146856.db2.gz ZBJVESOOXQXNSW-UHFFFAOYSA-N 1 0 237.318 3.130 10 0 BGAERO Cc1cc(C)c(C[NH2+]Cc2ccccn2)cc1C ZINC000034990972 385690286 /nfs/dbraw/zinc/69/02/86/385690286.db2.gz KFZXEBRIBZBYDF-UHFFFAOYSA-N 1 0 240.350 3.297 10 0 BGAERO CC(C)C[NH2+]Cc1ccccc1N1CCCC1 ZINC000034991116 167009982 /nfs/dbraw/zinc/00/99/82/167009982.db2.gz JEHFIOGUETYICX-UHFFFAOYSA-N 1 0 232.371 3.032 10 0 BGAERO C=COCCC[NH2+]Cc1ccccc1OC(C)C ZINC000034991779 188284637 /nfs/dbraw/zinc/28/46/37/188284637.db2.gz NEFOLJOFAVJWIR-UHFFFAOYSA-N 1 0 249.354 3.114 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1 ZINC000035009808 636365715 /nfs/dbraw/zinc/36/57/15/636365715.db2.gz BFTAPEWGFAPWLM-FZMZJTMJSA-N 1 0 235.396 3.405 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000035010049 343282857 /nfs/dbraw/zinc/28/28/57/343282857.db2.gz KGSBPKGFFKRHBO-WCBMZHEXSA-N 1 0 243.322 3.121 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000035010050 343282871 /nfs/dbraw/zinc/28/28/71/343282871.db2.gz KGSBPKGFFKRHBO-PSASIEDQSA-N 1 0 243.322 3.121 10 0 BGAERO C[C@H]([NH2+][C@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000035010051 343282535 /nfs/dbraw/zinc/28/25/35/343282535.db2.gz KGSBPKGFFKRHBO-WPRPVWTQSA-N 1 0 243.322 3.121 10 0 BGAERO C[C@@H]([NH2+][C@H]1CCSC1)c1ccc(F)c(F)c1 ZINC000035010052 343282581 /nfs/dbraw/zinc/28/25/81/343282581.db2.gz KGSBPKGFFKRHBO-SCZZXKLOSA-N 1 0 243.322 3.121 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H](C)C2CC2)cc1C ZINC000035012498 262808596 /nfs/dbraw/zinc/80/85/96/262808596.db2.gz WULFQZPYQFWNGN-ZDUSSCGKSA-N 1 0 217.356 3.500 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H](C)C2CC2)cc1C ZINC000035012499 262808650 /nfs/dbraw/zinc/80/86/50/262808650.db2.gz WULFQZPYQFWNGN-CYBMUJFWSA-N 1 0 217.356 3.500 10 0 BGAERO C1=C[C@H]2C[C@@H]1C[C@H]2C[NH2+]C1CCCCC1 ZINC000035014479 343283273 /nfs/dbraw/zinc/28/32/73/343283273.db2.gz DRCIMUCCONNIPI-AGIUHOORSA-N 1 0 205.345 3.121 10 0 BGAERO C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]C1CCCCC1 ZINC000035014481 187421442 /nfs/dbraw/zinc/42/14/42/187421442.db2.gz DRCIMUCCONNIPI-FRRDWIJNSA-N 1 0 205.345 3.121 10 0 BGAERO C[C@@H](C(=O)c1ccccc1)[NH+]1CCCCCC1 ZINC000035020334 343142513 /nfs/dbraw/zinc/14/25/13/343142513.db2.gz PKLXXRJADVQNCF-ZDUSSCGKSA-N 1 0 231.339 3.134 10 0 BGAERO C[C@H](C(=O)c1ccccc1)[NH+]1CCCCCC1 ZINC000035020336 343142429 /nfs/dbraw/zinc/14/24/29/343142429.db2.gz PKLXXRJADVQNCF-CYBMUJFWSA-N 1 0 231.339 3.134 10 0 BGAERO C[C@@H](C(=O)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000035021756 177315286 /nfs/dbraw/zinc/31/52/86/177315286.db2.gz FVSDIZIFFLFTEW-MJBXVCDLSA-N 1 0 245.366 3.236 10 0 BGAERO [NH3+]CCCc1ccc(-c2ccccc2)cc1 ZINC000035034171 343283161 /nfs/dbraw/zinc/28/31/61/343283161.db2.gz YHLSJHLBXDIJSQ-UHFFFAOYSA-N 1 0 211.308 3.245 10 0 BGAERO CC(C)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000035037797 167144419 /nfs/dbraw/zinc/14/44/19/167144419.db2.gz UCQDKEFUMITFGA-UHFFFAOYSA-N 1 0 218.344 3.103 10 0 BGAERO C[NH2+][C@H](C)c1cc(F)c(Cl)cc1Cl ZINC000035045290 351389766 /nfs/dbraw/zinc/38/97/66/351389766.db2.gz CWOFRRYJYMTMFS-RXMQYKEDSA-N 1 0 222.090 3.413 10 0 BGAERO CCC(CC)[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000035052431 168388592 /nfs/dbraw/zinc/38/85/92/168388592.db2.gz KHJZTNVCRSWANX-UHFFFAOYSA-N 1 0 249.383 3.416 10 0 BGAERO CC(C)(C)[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000035054486 166635091 /nfs/dbraw/zinc/63/50/91/166635091.db2.gz ODDZSRHZZSBLFZ-UHFFFAOYSA-N 1 0 247.367 3.093 10 0 BGAERO C[NH2+]Cc1c(Cl)ccc(Cl)c1Cl ZINC000035055021 343283723 /nfs/dbraw/zinc/28/37/23/343283723.db2.gz FOEQZTIGKGOQCC-UHFFFAOYSA-N 1 0 224.518 3.366 10 0 BGAERO c1ccc([C@H]2C[NH2+]C[C@H](c3ccccc3)O2)cc1 ZINC000035056832 188111420 /nfs/dbraw/zinc/11/14/20/188111420.db2.gz QWSCRARZYRBIJG-HZPDHXFCSA-N 1 0 239.318 3.089 10 0 BGAERO Cc1ccccc1C[N@@H+](C)Cc1ccccc1N ZINC000035064059 179269246 /nfs/dbraw/zinc/26/92/46/179269246.db2.gz UIMJBBLTFXQMHM-UHFFFAOYSA-N 1 0 240.350 3.209 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cc(C)oc2C)c(C)c1 ZINC000035081697 175192774 /nfs/dbraw/zinc/19/27/74/175192774.db2.gz OFFQTEXRIDJRMW-HNNXBMFYSA-N 1 0 245.322 3.262 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cc(C)oc2C)c(C)c1 ZINC000035081698 187257076 /nfs/dbraw/zinc/25/70/76/187257076.db2.gz OFFQTEXRIDJRMW-OAHLLOKOSA-N 1 0 245.322 3.262 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccc3c(c2)CCC3)c(C)o1 ZINC000035081701 178262221 /nfs/dbraw/zinc/26/22/21/178262221.db2.gz BALMQBWDRHRSLF-MRXNPFEDSA-N 1 0 241.334 3.433 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccc3c(c2)CCC3)c(C)o1 ZINC000035081702 178237370 /nfs/dbraw/zinc/23/73/70/178237370.db2.gz BALMQBWDRHRSLF-INIZCTEOSA-N 1 0 241.334 3.433 10 0 BGAERO Cc1ccoc1[C@H]([NH3+])c1ccc(OC(C)C)cc1 ZINC000035081727 179532252 /nfs/dbraw/zinc/53/22/52/179532252.db2.gz MKLXHYYQRJUCDN-CQSZACIVSA-N 1 0 245.322 3.423 10 0 BGAERO c1ccc(-c2cccc(O[C@@H]3CC[NH2+]C3)c2)cc1 ZINC000035090165 345848855 /nfs/dbraw/zinc/84/88/55/345848855.db2.gz NZOTZKQKMOMYAD-MRXNPFEDSA-N 1 0 239.318 3.094 10 0 BGAERO C[NH2+][C@H](c1ccccc1)c1ccccc1C ZINC000035102084 383828529 /nfs/dbraw/zinc/82/85/29/383828529.db2.gz KJLFXPIDOFEEAZ-OAHLLOKOSA-N 1 0 211.308 3.304 10 0 BGAERO C[NH2+][C@@H](c1ccccc1)c1ccccc1C ZINC000035102085 383828942 /nfs/dbraw/zinc/82/89/42/383828942.db2.gz KJLFXPIDOFEEAZ-HNNXBMFYSA-N 1 0 211.308 3.304 10 0 BGAERO CCCC[NH2+][C@@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000035112192 383828933 /nfs/dbraw/zinc/82/89/33/383828933.db2.gz YCWDSWDEFYBCIS-RKQHYHRCSA-N 1 0 207.361 3.201 10 0 BGAERO CCCC[NH2+][C@H]1C[C@H]2C[C@@H]1[C@H]1CCC[C@H]21 ZINC000035112195 168877614 /nfs/dbraw/zinc/87/76/14/168877614.db2.gz YCWDSWDEFYBCIS-RGDJUOJXSA-N 1 0 207.361 3.201 10 0 BGAERO C[NH2+]Cc1c(OC(F)F)ccc2ccccc21 ZINC000035113616 173385143 /nfs/dbraw/zinc/38/51/43/173385143.db2.gz CVWNJHBKMNIMEZ-UHFFFAOYSA-N 1 0 237.249 3.161 10 0 BGAERO C[NH2+][C@H](c1cccs1)c1ccccc1 ZINC000035117399 387048450 /nfs/dbraw/zinc/04/84/50/387048450.db2.gz HFOIYMQVNKNJHV-LBPRGKRZSA-N 1 0 203.310 3.057 10 0 BGAERO C[NH2+][C@@H](c1cccs1)c1ccccc1 ZINC000035117401 387048508 /nfs/dbraw/zinc/04/85/08/387048508.db2.gz HFOIYMQVNKNJHV-GFCCVEGCSA-N 1 0 203.310 3.057 10 0 BGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000035120818 177136001 /nfs/dbraw/zinc/13/60/01/177136001.db2.gz WJDKXECDAGESLO-LOWVWBTDSA-N 1 0 227.417 3.296 10 0 BGAERO C[C@H]1[C@H]([NH2+]C2CCSCC2)CCC[C@@H]1C ZINC000035120820 177123056 /nfs/dbraw/zinc/12/30/56/177123056.db2.gz WJDKXECDAGESLO-DMDPSCGWSA-N 1 0 227.417 3.296 10 0 BGAERO [NH3+]CCCSc1ccc2ccccc2c1 ZINC000035121188 181384942 /nfs/dbraw/zinc/38/49/42/181384942.db2.gz PSNZHJSMEGHOAE-UHFFFAOYSA-N 1 0 217.337 3.281 10 0 BGAERO c1coc(CC[NH2+]CCCc2ccccc2)c1 ZINC000035121631 183391629 /nfs/dbraw/zinc/39/16/29/183391629.db2.gz PSQOKSOGMCNGOX-UHFFFAOYSA-N 1 0 229.323 3.045 10 0 BGAERO Cc1cc(C[NH2+][C@@H](C)c2ccco2)cc(C)c1O ZINC000035137016 178031731 /nfs/dbraw/zinc/03/17/31/178031731.db2.gz VSEPOUPWXMUVRX-LBPRGKRZSA-N 1 0 245.322 3.453 10 0 BGAERO Cc1cc(C[NH2+][C@H](C)c2ccco2)cc(C)c1O ZINC000035137018 178038577 /nfs/dbraw/zinc/03/85/77/178038577.db2.gz VSEPOUPWXMUVRX-GFCCVEGCSA-N 1 0 245.322 3.453 10 0 BGAERO Fc1cccc(CC[NH2+]CCc2ccccc2)c1 ZINC000035137781 636856911 /nfs/dbraw/zinc/85/69/11/636856911.db2.gz CSHWEKAWWAMHBL-UHFFFAOYSA-N 1 0 243.325 3.201 10 0 BGAERO C[C@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CC1 ZINC000035162131 387556744 /nfs/dbraw/zinc/55/67/44/387556744.db2.gz FEOXCUAZZQSTRM-LNGAEJJSSA-N 1 0 219.372 3.199 10 0 BGAERO C[C@@H]([NH2+]C1C2CC3CC(C2)CC1C3)C1CC1 ZINC000035162132 387556972 /nfs/dbraw/zinc/55/69/72/387556972.db2.gz FEOXCUAZZQSTRM-DDDYFZFPSA-N 1 0 219.372 3.199 10 0 BGAERO CC1CCC(CN)([N@H+](C)C2CCCCC2)CC1 ZINC000035176658 168153608 /nfs/dbraw/zinc/15/36/08/168153608.db2.gz SLQFMLSAMANASB-UHFFFAOYSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@@H]1CCCC[C@@]1(CN)[N@H+](C)C1CCCCC1 ZINC000035176695 176083666 /nfs/dbraw/zinc/08/36/66/176083666.db2.gz ATXGGIFAJONNJQ-HIFRSBDPSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@H]1CCCC[C@@]1(CN)[N@H+](C)C1CCCCC1 ZINC000035176696 177085622 /nfs/dbraw/zinc/08/56/22/177085622.db2.gz ATXGGIFAJONNJQ-ZFWWWQNUSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@H]1CCCC[C@]1(CN)[N@H+](C)C1CCCCC1 ZINC000035176700 177090467 /nfs/dbraw/zinc/09/04/67/177090467.db2.gz ATXGGIFAJONNJQ-DZGCQCFKSA-N 1 0 238.419 3.159 10 0 BGAERO Cc1cc(NC(C)C)c2ccccc2[nH+]1 ZINC000035206331 178152359 /nfs/dbraw/zinc/15/23/59/178152359.db2.gz NWNMBOHPKQJLDG-UHFFFAOYSA-N 1 0 200.285 3.364 10 0 BGAERO CN(Cc1ccccc1)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000035206593 386784349 /nfs/dbraw/zinc/78/43/49/386784349.db2.gz AUKFMNHOJFJCOL-JKSUJKDBSA-N 1 0 246.398 3.169 10 0 BGAERO CN(Cc1ccccc1)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000035206594 386784630 /nfs/dbraw/zinc/78/46/30/386784630.db2.gz AUKFMNHOJFJCOL-HOTGVXAUSA-N 1 0 246.398 3.169 10 0 BGAERO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](C)C2CCCCC2)C1 ZINC000035219775 171055908 /nfs/dbraw/zinc/05/59/08/171055908.db2.gz QEPVSUBUYDNXHQ-VHDGCEQUSA-N 1 0 238.419 3.157 10 0 BGAERO CC[C@@H]1CC[C@@H](N)[C@H]([N@H+](C)C2CCCCC2)C1 ZINC000035219777 171040884 /nfs/dbraw/zinc/04/08/84/171040884.db2.gz QEPVSUBUYDNXHQ-BPLDGKMQSA-N 1 0 238.419 3.157 10 0 BGAERO [NH3+]CCCOc1ccc(Cl)c2ccccc12 ZINC000035232390 181384260 /nfs/dbraw/zinc/38/42/60/181384260.db2.gz OFNJWDLYZUEDIC-UHFFFAOYSA-N 1 0 235.714 3.221 10 0 BGAERO CC1CCC(O[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000035236288 168168104 /nfs/dbraw/zinc/16/81/04/168168104.db2.gz SNAKOWTVGNATKJ-FKZOYECMSA-N 1 0 225.376 3.099 10 0 BGAERO CC1CCC(O[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000035236289 168167905 /nfs/dbraw/zinc/16/79/05/168167905.db2.gz SNAKOWTVGNATKJ-HHTDUIENSA-N 1 0 225.376 3.099 10 0 BGAERO CC1CCC(O[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000035236290 168168090 /nfs/dbraw/zinc/16/80/90/168168090.db2.gz SNAKOWTVGNATKJ-GNRIBBGQSA-N 1 0 225.376 3.099 10 0 BGAERO CC1CCC(O[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000035236291 168167923 /nfs/dbraw/zinc/16/79/23/168167923.db2.gz SNAKOWTVGNATKJ-YIOUJQMASA-N 1 0 225.376 3.099 10 0 BGAERO CC(C)c1ccc(N(C)CCC[NH+](C)C)cc1 ZINC000035246506 345848046 /nfs/dbraw/zinc/84/80/46/345848046.db2.gz JIIFUAJWIPJKFF-UHFFFAOYSA-N 1 0 234.387 3.198 10 0 BGAERO CC(C)(C)[NH2+]Cc1csc(Br)c1 ZINC000035251527 356448282 /nfs/dbraw/zinc/44/82/82/356448282.db2.gz ZVUHWQKIVRSLEE-UHFFFAOYSA-N 1 0 248.189 3.399 10 0 BGAERO C[C@@H](Cc1ccco1)[NH2+]CCc1ccccc1 ZINC000035254676 646134572 /nfs/dbraw/zinc/13/45/72/646134572.db2.gz NXOOVVXHZYFGLW-ZDUSSCGKSA-N 1 0 229.323 3.043 10 0 BGAERO C[C@H](Cc1ccco1)[NH2+]CCc1ccccc1 ZINC000035254678 646134411 /nfs/dbraw/zinc/13/44/11/646134411.db2.gz NXOOVVXHZYFGLW-CYBMUJFWSA-N 1 0 229.323 3.043 10 0 BGAERO C[NH2+]Cc1cc(-c2cccs2)cs1 ZINC000035256075 173385801 /nfs/dbraw/zinc/38/58/01/173385801.db2.gz ZNKITWPPCCASBK-UHFFFAOYSA-N 1 0 209.339 3.196 10 0 BGAERO CC(C)C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258124 357973762 /nfs/dbraw/zinc/97/37/62/357973762.db2.gz YTHKPKCFVGYPCX-VHSXEESVSA-N 1 0 223.282 3.353 10 0 BGAERO CCCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000035258228 357974094 /nfs/dbraw/zinc/97/40/94/357974094.db2.gz YXLNSIAZUGYOKT-VHSXEESVSA-N 1 0 223.282 3.497 10 0 BGAERO C[C@@H](Cn1cccn1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000035272325 176424092 /nfs/dbraw/zinc/42/40/92/176424092.db2.gz BWQQXZXQNNRFHJ-RDBSUJKOSA-N 1 0 249.402 3.076 10 0 BGAERO C[C@@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000035272331 176377281 /nfs/dbraw/zinc/37/72/81/176377281.db2.gz BWQQXZXQNNRFHJ-HZSPNIEDSA-N 1 0 249.402 3.076 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1C ZINC000035273808 643103964 /nfs/dbraw/zinc/10/39/64/643103964.db2.gz SRWRXHXAZLTCND-HOCLYGCPSA-N 1 0 247.382 3.269 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1C ZINC000035273810 177862326 /nfs/dbraw/zinc/86/23/26/177862326.db2.gz SRWRXHXAZLTCND-ZBFHGGJFSA-N 1 0 247.382 3.269 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1C ZINC000035273813 177862269 /nfs/dbraw/zinc/86/22/69/177862269.db2.gz SRWRXHXAZLTCND-GOEBONIOSA-N 1 0 247.382 3.269 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H](C)[C@H]2CCCO2)cc1C ZINC000035273816 641346508 /nfs/dbraw/zinc/34/65/08/641346508.db2.gz SRWRXHXAZLTCND-GDBMZVCRSA-N 1 0 247.382 3.269 10 0 BGAERO C[C@@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000035275320 398092080 /nfs/dbraw/zinc/09/20/80/398092080.db2.gz SIFQMFSAPKPPBK-RDBSUJKOSA-N 1 0 249.402 3.076 10 0 BGAERO C[C@@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000035275326 176377571 /nfs/dbraw/zinc/37/75/71/176377571.db2.gz SIFQMFSAPKPPBK-HZSPNIEDSA-N 1 0 249.402 3.076 10 0 BGAERO c1csc([C@@H]2C[NH2+]C[C@H](c3ccccc3)O2)c1 ZINC000035285436 183433302 /nfs/dbraw/zinc/43/33/02/183433302.db2.gz LNVCDVHAAZSTAM-OLZOCXBDSA-N 1 0 245.347 3.150 10 0 BGAERO CC(C)[C@@H](C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035287024 167380882 /nfs/dbraw/zinc/38/08/82/167380882.db2.gz RPJPCEDEYVBRCW-DGCLKSJQSA-N 1 0 248.395 3.465 10 0 BGAERO CC(C)[C@H](C)NC1=[NH+]C[C@H](c2ccccc2)S1 ZINC000035287025 188111900 /nfs/dbraw/zinc/11/19/00/188111900.db2.gz RPJPCEDEYVBRCW-WCQYABFASA-N 1 0 248.395 3.465 10 0 BGAERO CC(C)[C@@H](C)NC1=[NH+]C[C@@H](c2ccccc2)S1 ZINC000035287026 167380696 /nfs/dbraw/zinc/38/06/96/167380696.db2.gz RPJPCEDEYVBRCW-YPMHNXCESA-N 1 0 248.395 3.465 10 0 BGAERO c1ccc([C@@H]2C[NH+]=C(NC3CCCC3)S2)cc1 ZINC000035287159 183427204 /nfs/dbraw/zinc/42/72/04/183427204.db2.gz OROAUUVDKCMIMR-ZDUSSCGKSA-N 1 0 246.379 3.363 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cc(F)ccc1N ZINC000035308433 177117883 /nfs/dbraw/zinc/11/78/83/177117883.db2.gz DBDCJTYCMJCMPA-PHIMTYICSA-N 1 0 236.334 3.171 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cc(F)ccc1N ZINC000035308435 177132681 /nfs/dbraw/zinc/13/26/81/177132681.db2.gz DBDCJTYCMJCMPA-QWRGUYRKSA-N 1 0 236.334 3.171 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cc(F)ccc1N ZINC000035308437 176116597 /nfs/dbraw/zinc/11/65/97/176116597.db2.gz DBDCJTYCMJCMPA-GHMZBOCLSA-N 1 0 236.334 3.171 10 0 BGAERO CC[C@H](C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332459 171349944 /nfs/dbraw/zinc/34/99/44/171349944.db2.gz NHLSUTQGAPZQHL-VIFPVBQESA-N 1 0 215.300 3.027 10 0 BGAERO CCC(CC)Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332471 168393576 /nfs/dbraw/zinc/39/35/76/168393576.db2.gz ZIBKAINSXPFCPT-UHFFFAOYSA-N 1 0 229.327 3.418 10 0 BGAERO CCC[C@@H](C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332511 169371513 /nfs/dbraw/zinc/37/15/13/169371513.db2.gz FDCMHJWLQJIZJT-SNVBAGLBSA-N 1 0 229.327 3.418 10 0 BGAERO Nc1ccc(NCc2ccccc2)c2cc[nH+]cc12 ZINC000035332522 357186645 /nfs/dbraw/zinc/18/66/45/357186645.db2.gz XCRUEYULEPWTIB-UHFFFAOYSA-N 1 0 249.317 3.429 10 0 BGAERO CC(C)[C@@H](C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332665 167386351 /nfs/dbraw/zinc/38/63/51/167386351.db2.gz RVLNARLCDRJYHI-SNVBAGLBSA-N 1 0 229.327 3.273 10 0 BGAERO CC(C)[C@H](C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332668 188284505 /nfs/dbraw/zinc/28/45/05/188284505.db2.gz RVLNARLCDRJYHI-JTQLQIEISA-N 1 0 229.327 3.273 10 0 BGAERO CCC(C)(C)Nc1ccc(N)c2c[nH+]ccc12 ZINC000035332681 168303141 /nfs/dbraw/zinc/30/31/41/168303141.db2.gz VISKFPHZFHUKPZ-UHFFFAOYSA-N 1 0 229.327 3.418 10 0 BGAERO Cc1ccc([C@H]2[NH2+]CCc3sccc32)cc1 ZINC000035356608 642392789 /nfs/dbraw/zinc/39/27/89/642392789.db2.gz XWIVMJSKELKHKK-CQSZACIVSA-N 1 0 229.348 3.292 10 0 BGAERO Cc1ccc([C@@H]2[NH2+]CCc3sccc32)cc1 ZINC000035356610 642391761 /nfs/dbraw/zinc/39/17/61/642391761.db2.gz XWIVMJSKELKHKK-AWEZNQCLSA-N 1 0 229.348 3.292 10 0 BGAERO CCC[N@H+](Cc1cccc(N)c1)C1CCCC1 ZINC000035364995 169175101 /nfs/dbraw/zinc/17/51/01/169175101.db2.gz RFDMKFTWLUCDJJ-UHFFFAOYSA-N 1 0 232.371 3.423 10 0 BGAERO CCC[N@H+](Cc1ccccc1N)C1CCCC1 ZINC000035365189 169177295 /nfs/dbraw/zinc/17/72/95/169177295.db2.gz IWEPGVVIFJNZAK-UHFFFAOYSA-N 1 0 232.371 3.423 10 0 BGAERO CC(C)[N@H+](Cc1ccccc1N)C1CCCC1 ZINC000035365775 188111794 /nfs/dbraw/zinc/11/17/94/188111794.db2.gz CGOVKCWVCIOGJD-UHFFFAOYSA-N 1 0 232.371 3.422 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccc(F)cc2)c(C)o1 ZINC000035379533 178262645 /nfs/dbraw/zinc/26/26/45/178262645.db2.gz OTAGLJGIGXDVAO-CYBMUJFWSA-N 1 0 219.259 3.084 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccc(F)cc2)c(C)o1 ZINC000035379534 178237273 /nfs/dbraw/zinc/23/72/73/178237273.db2.gz OTAGLJGIGXDVAO-ZDUSSCGKSA-N 1 0 219.259 3.084 10 0 BGAERO COc1ccc([C@H]([NH3+])c2sccc2C)cc1 ZINC000035379618 188111205 /nfs/dbraw/zinc/11/12/05/188111205.db2.gz VIIBOOFJBZCUSB-LBPRGKRZSA-N 1 0 233.336 3.113 10 0 BGAERO Cc1ccsc1[C@H]([NH3+])c1cccs1 ZINC000035379695 357210374 /nfs/dbraw/zinc/21/03/74/357210374.db2.gz ABQAWCUENKBXMT-SECBINFHSA-N 1 0 209.339 3.166 10 0 BGAERO Cc1ccsc1[C@@H]([NH3+])c1cccs1 ZINC000035379696 357210492 /nfs/dbraw/zinc/21/04/92/357210492.db2.gz ABQAWCUENKBXMT-VIFPVBQESA-N 1 0 209.339 3.166 10 0 BGAERO Cc1ccc([C@H]([NH3+])c2cccs2)s1 ZINC000035379698 357210645 /nfs/dbraw/zinc/21/06/45/357210645.db2.gz NVPXJBGOZNZYRD-SNVBAGLBSA-N 1 0 209.339 3.166 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2cccs2)s1 ZINC000035379700 387653014 /nfs/dbraw/zinc/65/30/14/387653014.db2.gz NVPXJBGOZNZYRD-JTQLQIEISA-N 1 0 209.339 3.166 10 0 BGAERO Cc1cc([C@H]([NH3+])c2cccs2)c(C)o1 ZINC000035379705 178263009 /nfs/dbraw/zinc/26/30/09/178263009.db2.gz JQDNBTBDWUHWEB-NSHDSACASA-N 1 0 207.298 3.006 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2cccs2)c(C)o1 ZINC000035379706 178237747 /nfs/dbraw/zinc/23/77/47/178237747.db2.gz JQDNBTBDWUHWEB-LLVKDONJSA-N 1 0 207.298 3.006 10 0 BGAERO CCOc1ccc([C@@H]([NH3+])c2ccc(C)o2)cc1 ZINC000035379771 170558677 /nfs/dbraw/zinc/55/86/77/170558677.db2.gz ZETZURIZUMQAAL-CQSZACIVSA-N 1 0 231.295 3.035 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccc(F)c(F)c2)c(C)o1 ZINC000035380105 178262615 /nfs/dbraw/zinc/26/26/15/178262615.db2.gz UKTJWOSTMNHKPY-CYBMUJFWSA-N 1 0 237.249 3.223 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccc(F)c(F)c2)c(C)o1 ZINC000035380106 178238139 /nfs/dbraw/zinc/23/81/39/178238139.db2.gz UKTJWOSTMNHKPY-ZDUSSCGKSA-N 1 0 237.249 3.223 10 0 BGAERO CCc1ccc([C@H]([NH3+])c2ccoc2C)cc1 ZINC000035380147 171844077 /nfs/dbraw/zinc/84/40/77/171844077.db2.gz ICEXWKJAXXJDBQ-AWEZNQCLSA-N 1 0 215.296 3.199 10 0 BGAERO CCc1ccc([C@@H]([NH3+])c2ccoc2C)cc1 ZINC000035380149 171834209 /nfs/dbraw/zinc/83/42/09/171834209.db2.gz ICEXWKJAXXJDBQ-CQSZACIVSA-N 1 0 215.296 3.199 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccc(F)cc2F)c(C)o1 ZINC000035380236 178263259 /nfs/dbraw/zinc/26/32/59/178263259.db2.gz WQAQEAKYDMLAPD-CYBMUJFWSA-N 1 0 237.249 3.223 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccc(F)cc2F)c(C)o1 ZINC000035380239 178237642 /nfs/dbraw/zinc/23/76/42/178237642.db2.gz WQAQEAKYDMLAPD-ZDUSSCGKSA-N 1 0 237.249 3.223 10 0 BGAERO Cc1cc([C@H]([NH3+])c2cc(F)ccc2F)c(C)o1 ZINC000035380331 178262016 /nfs/dbraw/zinc/26/20/16/178262016.db2.gz WWERCCNIEOTTGM-ZDUSSCGKSA-N 1 0 237.249 3.223 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2cc(F)ccc2F)c(C)o1 ZINC000035380334 178238069 /nfs/dbraw/zinc/23/80/69/178238069.db2.gz WWERCCNIEOTTGM-CYBMUJFWSA-N 1 0 237.249 3.223 10 0 BGAERO Cc1ccc([C@H]([NH3+])c2ccsc2)s1 ZINC000035380397 357210246 /nfs/dbraw/zinc/21/02/46/357210246.db2.gz XKADBVRKFLIXHS-SNVBAGLBSA-N 1 0 209.339 3.166 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2ccsc2)s1 ZINC000035380399 387653463 /nfs/dbraw/zinc/65/34/63/387653463.db2.gz XKADBVRKFLIXHS-JTQLQIEISA-N 1 0 209.339 3.166 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2sccc2C)s1 ZINC000035380409 357210795 /nfs/dbraw/zinc/21/07/95/357210795.db2.gz IKJXXJPWDGOURO-SNVBAGLBSA-N 1 0 223.366 3.475 10 0 BGAERO Cc1ccc([C@H]([NH3+])c2sccc2C)s1 ZINC000035380411 357210753 /nfs/dbraw/zinc/21/07/53/357210753.db2.gz IKJXXJPWDGOURO-JTQLQIEISA-N 1 0 223.366 3.475 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccc(C)s2)c(C)o1 ZINC000035380421 178237615 /nfs/dbraw/zinc/23/76/15/178237615.db2.gz MSLVSRNEHFKYJA-GFCCVEGCSA-N 1 0 221.325 3.314 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccc(C)s2)c(C)o1 ZINC000035380423 178262650 /nfs/dbraw/zinc/26/26/50/178262650.db2.gz MSLVSRNEHFKYJA-LBPRGKRZSA-N 1 0 221.325 3.314 10 0 BGAERO Cc1ccc([C@H]([NH3+])c2ccoc2C)s1 ZINC000035380430 357211622 /nfs/dbraw/zinc/21/16/22/357211622.db2.gz UDHBNVZCXUKAOW-LLVKDONJSA-N 1 0 207.298 3.006 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2ccoc2C)s1 ZINC000035380432 387652779 /nfs/dbraw/zinc/65/27/79/387652779.db2.gz UDHBNVZCXUKAOW-NSHDSACASA-N 1 0 207.298 3.006 10 0 BGAERO CCc1ccc([C@H]([NH3+])c2ccsc2)s1 ZINC000035380819 171843853 /nfs/dbraw/zinc/84/38/53/171843853.db2.gz NOSNFDKKTRRVAV-LLVKDONJSA-N 1 0 223.366 3.420 10 0 BGAERO CCc1ccc([C@@H]([NH3+])c2ccsc2)s1 ZINC000035380820 171834003 /nfs/dbraw/zinc/83/40/03/171834003.db2.gz NOSNFDKKTRRVAV-NSHDSACASA-N 1 0 223.366 3.420 10 0 BGAERO CCc1ccc([C@H]([NH3+])c2cccs2)s1 ZINC000035380854 357211287 /nfs/dbraw/zinc/21/12/87/357211287.db2.gz DKARFUQYLYMASR-LLVKDONJSA-N 1 0 223.366 3.420 10 0 BGAERO CCc1ccc([C@@H]([NH3+])c2cccs2)s1 ZINC000035380856 357211147 /nfs/dbraw/zinc/21/11/47/357211147.db2.gz DKARFUQYLYMASR-NSHDSACASA-N 1 0 223.366 3.420 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2ccc3c(c2)CCO3)s1 ZINC000035380953 178860551 /nfs/dbraw/zinc/86/05/51/178860551.db2.gz RBOBBJRBYLXMSO-AWEZNQCLSA-N 1 0 245.347 3.040 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2sccc2C)c(C)c1 ZINC000035381191 188285551 /nfs/dbraw/zinc/28/55/51/188285551.db2.gz KGOIFJPAEWAMSW-CYBMUJFWSA-N 1 0 247.363 3.422 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)s2)c(C)c1 ZINC000035381195 175180317 /nfs/dbraw/zinc/18/03/17/175180317.db2.gz DEDPGADOUGKFKC-CQSZACIVSA-N 1 0 247.363 3.422 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)s2)c(C)c1 ZINC000035381197 175192944 /nfs/dbraw/zinc/19/29/44/175192944.db2.gz DEDPGADOUGKFKC-AWEZNQCLSA-N 1 0 247.363 3.422 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccs2)c(C)c1 ZINC000035381218 175180328 /nfs/dbraw/zinc/18/03/28/175180328.db2.gz IHGPPTHYKRKHRJ-CYBMUJFWSA-N 1 0 233.336 3.113 10 0 BGAERO Cc1ccc([C@@H](N)c2ccc(Cl)s2)o1 ZINC000035381232 383856702 /nfs/dbraw/zinc/85/67/02/383856702.db2.gz RRBZZCUGQPUVFS-SNVBAGLBSA-N 1 0 227.716 3.351 10 0 BGAERO [NH3+][C@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035381237 181634597 /nfs/dbraw/zinc/63/45/97/181634597.db2.gz RRWVYCSMQRWWRR-SECBINFHSA-N 1 0 213.689 3.043 10 0 BGAERO [NH3+][C@@H](c1ccoc1)c1ccc(Cl)s1 ZINC000035381239 357211508 /nfs/dbraw/zinc/21/15/08/357211508.db2.gz RRWVYCSMQRWWRR-VIFPVBQESA-N 1 0 213.689 3.043 10 0 BGAERO Cc1occc1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000035381265 357211708 /nfs/dbraw/zinc/21/17/08/357211708.db2.gz KGKGUVXRTCXEQL-JTQLQIEISA-N 1 0 227.716 3.351 10 0 BGAERO Cc1occc1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000035381267 357211238 /nfs/dbraw/zinc/21/12/38/357211238.db2.gz KGKGUVXRTCXEQL-SNVBAGLBSA-N 1 0 227.716 3.351 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccsc2)c(C)s1 ZINC000035381389 178262976 /nfs/dbraw/zinc/26/29/76/178262976.db2.gz KMUYSUXZOKFVBJ-LLVKDONJSA-N 1 0 223.366 3.475 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccsc2)c(C)s1 ZINC000035381390 178236884 /nfs/dbraw/zinc/23/68/84/178236884.db2.gz KMUYSUXZOKFVBJ-NSHDSACASA-N 1 0 223.366 3.475 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccoc2)c(C)s1 ZINC000035381395 178262145 /nfs/dbraw/zinc/26/21/45/178262145.db2.gz KBJPMWFRSKCMIN-LLVKDONJSA-N 1 0 207.298 3.006 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccoc2)c(C)s1 ZINC000035381396 178236978 /nfs/dbraw/zinc/23/69/78/178236978.db2.gz KBJPMWFRSKCMIN-NSHDSACASA-N 1 0 207.298 3.006 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccoc2C)c(C)s1 ZINC000035381420 178263244 /nfs/dbraw/zinc/26/32/44/178263244.db2.gz KLWHPNNMBCCXFB-GFCCVEGCSA-N 1 0 221.325 3.314 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccoc2C)c(C)s1 ZINC000035381422 178237157 /nfs/dbraw/zinc/23/71/57/178237157.db2.gz KLWHPNNMBCCXFB-LBPRGKRZSA-N 1 0 221.325 3.314 10 0 BGAERO Cc1cc([C@H]([NH3+])c2cccs2)c(C)s1 ZINC000035381424 178263265 /nfs/dbraw/zinc/26/32/65/178263265.db2.gz GZYSJPGXRDHQLP-NSHDSACASA-N 1 0 223.366 3.475 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2cccs2)c(C)s1 ZINC000035381426 178238176 /nfs/dbraw/zinc/23/81/76/178238176.db2.gz GZYSJPGXRDHQLP-LLVKDONJSA-N 1 0 223.366 3.475 10 0 BGAERO CC(C)Oc1ccc([C@H]([NH3+])c2ccco2)cc1 ZINC000035381441 167300486 /nfs/dbraw/zinc/30/04/86/167300486.db2.gz LJRBBUMLDJUBAA-AWEZNQCLSA-N 1 0 231.295 3.115 10 0 BGAERO CC(C)Oc1ccc([C@@H]([NH3+])c2ccco2)cc1 ZINC000035381442 167299291 /nfs/dbraw/zinc/29/92/91/167299291.db2.gz LJRBBUMLDJUBAA-CQSZACIVSA-N 1 0 231.295 3.115 10 0 BGAERO CC(C)Oc1ccc([C@H]([NH3+])c2ccoc2)cc1 ZINC000035381444 167301345 /nfs/dbraw/zinc/30/13/45/167301345.db2.gz BJPADLKCKDQBEN-AWEZNQCLSA-N 1 0 231.295 3.115 10 0 BGAERO CC(C)Oc1ccc([C@@H]([NH3+])c2ccoc2)cc1 ZINC000035381446 167298769 /nfs/dbraw/zinc/29/87/69/167298769.db2.gz BJPADLKCKDQBEN-CQSZACIVSA-N 1 0 231.295 3.115 10 0 BGAERO C[C@H]1Cc2cc([C@H]([NH3+])c3ccsc3)ccc2O1 ZINC000035382559 177389058 /nfs/dbraw/zinc/38/90/58/177389058.db2.gz UJROIOOUNWZSTR-XPTSAGLGSA-N 1 0 245.347 3.120 10 0 BGAERO C[C@H]1Cc2cc([C@@H]([NH3+])c3ccsc3)ccc2O1 ZINC000035382562 177389110 /nfs/dbraw/zinc/38/91/10/177389110.db2.gz UJROIOOUNWZSTR-LKFCYVNXSA-N 1 0 245.347 3.120 10 0 BGAERO C[C@H]1Cc2cc([C@H]([NH3+])c3cccs3)ccc2O1 ZINC000035382593 177388758 /nfs/dbraw/zinc/38/87/58/177388758.db2.gz AADVBXUOAXUPPC-XPTSAGLGSA-N 1 0 245.347 3.120 10 0 BGAERO C[C@H]1Cc2cc([C@@H]([NH3+])c3cccs3)ccc2O1 ZINC000035382595 177388668 /nfs/dbraw/zinc/38/86/68/177388668.db2.gz AADVBXUOAXUPPC-LKFCYVNXSA-N 1 0 245.347 3.120 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)s2)cc1C ZINC000035382646 175180252 /nfs/dbraw/zinc/18/02/52/175180252.db2.gz AGMMLQXLWCZOSO-CQSZACIVSA-N 1 0 247.363 3.422 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)s2)cc1C ZINC000035382648 175192770 /nfs/dbraw/zinc/19/27/70/175192770.db2.gz AGMMLQXLWCZOSO-AWEZNQCLSA-N 1 0 247.363 3.422 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccs2)cc1C ZINC000035382666 188111341 /nfs/dbraw/zinc/11/13/41/188111341.db2.gz WIJOHECYGRNUAD-ZDUSSCGKSA-N 1 0 233.336 3.113 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccs2)cc1C ZINC000035382668 175180239 /nfs/dbraw/zinc/18/02/39/175180239.db2.gz WIJOHECYGRNUAD-CYBMUJFWSA-N 1 0 233.336 3.113 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1nc2ccccc2n1C1CC1 ZINC000035411258 188111937 /nfs/dbraw/zinc/11/19/37/188111937.db2.gz RZIYCEYNEDDCNW-CYBMUJFWSA-N 1 0 243.354 3.417 10 0 BGAERO CCCC[C@H]([NH3+])c1nc2cc(C)ccc2[nH]1 ZINC000035411266 169009439 /nfs/dbraw/zinc/00/94/39/169009439.db2.gz VIDNKTSZIUOEDS-JTQLQIEISA-N 1 0 217.316 3.061 10 0 BGAERO C[C@H]([NH3+])c1nc2ccccc2n1-c1ccccc1 ZINC000035411617 357231709 /nfs/dbraw/zinc/23/17/09/357231709.db2.gz PYHXHXAQVLKMDM-NSHDSACASA-N 1 0 237.306 3.045 10 0 BGAERO CCCC[C@H]([NH3+])c1nc2cc(F)c(F)cc2[nH]1 ZINC000035412222 169009329 /nfs/dbraw/zinc/00/93/29/169009329.db2.gz KNLGUNUVNZOXPX-VIFPVBQESA-N 1 0 239.269 3.031 10 0 BGAERO C[NH2+]Cc1cccc(OC)c1OC1CCCCC1 ZINC000035413507 173389690 /nfs/dbraw/zinc/38/96/90/173389690.db2.gz OYGILGMDKIQAKH-UHFFFAOYSA-N 1 0 249.354 3.126 10 0 BGAERO CC[NH2+]Cc1cccc(OC)c1OC1CCCC1 ZINC000035413728 170128190 /nfs/dbraw/zinc/12/81/90/170128190.db2.gz OTDUCOYNCVXYOY-UHFFFAOYSA-N 1 0 249.354 3.126 10 0 BGAERO CC[C@H](C)Oc1c(C[NH2+]C2CC2)cccc1OC ZINC000035413844 171355913 /nfs/dbraw/zinc/35/59/13/171355913.db2.gz DNMRTXPKYCPWQT-NSHDSACASA-N 1 0 249.354 3.125 10 0 BGAERO CCCOc1ccc(C[NH3+])c(O[C@@H](C)CC)c1 ZINC000035413891 169318399 /nfs/dbraw/zinc/31/83/99/169318399.db2.gz HVKLPDWNJLODMX-NSHDSACASA-N 1 0 237.343 3.111 10 0 BGAERO CCCOc1ccc(C[NH3+])c(O[C@H](C)CC)c1 ZINC000035413892 169318850 /nfs/dbraw/zinc/31/88/50/169318850.db2.gz HVKLPDWNJLODMX-LLVKDONJSA-N 1 0 237.343 3.111 10 0 BGAERO CCCOc1ccc(C[NH3+])c(OC2CCCC2)c1 ZINC000035413934 169318714 /nfs/dbraw/zinc/31/87/14/169318714.db2.gz HQASHUHUPKHCJD-UHFFFAOYSA-N 1 0 249.354 3.256 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)cc2)cc1F ZINC000035424074 175192544 /nfs/dbraw/zinc/19/25/44/175192544.db2.gz XNLSYGQQLPJJMJ-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])Cc2ccccc2)cc1F ZINC000035424113 175191757 /nfs/dbraw/zinc/19/17/57/175191757.db2.gz COMUSSMBBXRGHJ-CQSZACIVSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc([C@@H]([NH3+])Cc2ccccc2)cc1F ZINC000035424115 188111391 /nfs/dbraw/zinc/11/13/91/188111391.db2.gz COMUSSMBBXRGHJ-AWEZNQCLSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2F)cc1F ZINC000035424226 175192682 /nfs/dbraw/zinc/19/26/82/175192682.db2.gz RVTSAARNZJWXLY-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2F)cc1F ZINC000035424228 175180324 /nfs/dbraw/zinc/18/03/24/175180324.db2.gz RVTSAARNZJWXLY-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccc(F)c2)cc1F ZINC000035424244 175192750 /nfs/dbraw/zinc/19/27/50/175192750.db2.gz KLFKJSCXCLZHKQ-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccc(F)c2)cc1F ZINC000035424247 175180286 /nfs/dbraw/zinc/18/02/86/175180286.db2.gz KLFKJSCXCLZHKQ-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccc(C)c2)cc1F ZINC000035424284 175180204 /nfs/dbraw/zinc/18/02/04/175180204.db2.gz GKLODIIVONBCKN-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccc(C)c2)cc1F ZINC000035424287 175192632 /nfs/dbraw/zinc/19/26/32/175192632.db2.gz GKLODIIVONBCKN-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2)cc1F ZINC000035424314 175192910 /nfs/dbraw/zinc/19/29/10/175192910.db2.gz CYALZAQUKIWUPB-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2)cc1F ZINC000035424317 175180264 /nfs/dbraw/zinc/18/02/64/175180264.db2.gz CYALZAQUKIWUPB-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2C)cc1F ZINC000035424360 175180355 /nfs/dbraw/zinc/18/03/55/175180355.db2.gz YBERTIDKZKOURF-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2C)cc1F ZINC000035424361 175192653 /nfs/dbraw/zinc/19/26/53/175192653.db2.gz YBERTIDKZKOURF-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO CCCC[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000035424471 359653484 /nfs/dbraw/zinc/65/34/84/359653484.db2.gz LTLBXZMTBBBQGW-NSHDSACASA-N 1 0 211.280 3.024 10 0 BGAERO CCCC[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000035424473 359652922 /nfs/dbraw/zinc/65/29/22/359652922.db2.gz LTLBXZMTBBBQGW-LLVKDONJSA-N 1 0 211.280 3.024 10 0 BGAERO CCCCC[C@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000035424492 357234747 /nfs/dbraw/zinc/23/47/47/357234747.db2.gz LTFKBYVOSLUQOI-LBPRGKRZSA-N 1 0 225.307 3.414 10 0 BGAERO CCCCC[C@@H]([NH3+])c1ccc(OC)c(F)c1 ZINC000035424494 357234896 /nfs/dbraw/zinc/23/48/96/357234896.db2.gz LTFKBYVOSLUQOI-GFCCVEGCSA-N 1 0 225.307 3.414 10 0 BGAERO COc1ccc([C@@H]([NH3+])CCC(C)C)cc1F ZINC000035424535 343296106 /nfs/dbraw/zinc/29/61/06/343296106.db2.gz XKIWBDCWWOFYFR-LBPRGKRZSA-N 1 0 225.307 3.270 10 0 BGAERO COc1ccc([C@H]([NH3+])CCC(C)C)cc1F ZINC000035424538 357234944 /nfs/dbraw/zinc/23/49/44/357234944.db2.gz XKIWBDCWWOFYFR-GFCCVEGCSA-N 1 0 225.307 3.270 10 0 BGAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCCC[C@H]1C ZINC000035438938 132338305 /nfs/dbraw/zinc/33/83/05/132338305.db2.gz KZEWYOJPGXUDPP-GHMZBOCLSA-N 1 0 236.334 3.224 10 0 BGAERO C[C@@H]([NH3+])c1c(F)cccc1N1CCCC[C@H]1C ZINC000035438941 132338265 /nfs/dbraw/zinc/33/82/65/132338265.db2.gz VNOJJKMHROKZBN-GHMZBOCLSA-N 1 0 236.334 3.224 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N1CCCC[C@H]1C ZINC000035438944 132338153 /nfs/dbraw/zinc/33/81/53/132338153.db2.gz DNFVYUSMVYRSGS-VXGBXAGGSA-N 1 0 218.344 3.085 10 0 BGAERO C[NH2+][C@H](c1ccsc1)c1ccc(C)s1 ZINC000035458659 387774686 /nfs/dbraw/zinc/77/46/86/387774686.db2.gz XHNPNDUZQGCAFN-LLVKDONJSA-N 1 0 223.366 3.427 10 0 BGAERO C[NH2+][C@@H](c1ccsc1)c1ccc(C)s1 ZINC000035458662 387775216 /nfs/dbraw/zinc/77/52/16/387775216.db2.gz XHNPNDUZQGCAFN-NSHDSACASA-N 1 0 223.366 3.427 10 0 BGAERO C[NH2+][C@@H](c1ccc(C)s1)c1ccoc1C ZINC000035458721 173427612 /nfs/dbraw/zinc/42/76/12/173427612.db2.gz DCVZRGQPSXWXTJ-GFCCVEGCSA-N 1 0 221.325 3.267 10 0 BGAERO C[NH2+][C@H](c1cccs1)c1ccc(C)s1 ZINC000035458726 357249291 /nfs/dbraw/zinc/24/92/91/357249291.db2.gz VQYHMUHQTNUJPB-LLVKDONJSA-N 1 0 223.366 3.427 10 0 BGAERO C[NH2+][C@@H](c1cccs1)c1ccc(C)s1 ZINC000035458729 357249534 /nfs/dbraw/zinc/24/95/34/357249534.db2.gz VQYHMUHQTNUJPB-NSHDSACASA-N 1 0 223.366 3.427 10 0 BGAERO C[NH2+][C@@H](c1ccc(CC(C)C)cc1)[C@@H]1CCCO1 ZINC000035459779 173427944 /nfs/dbraw/zinc/42/79/44/173427944.db2.gz USJOGODWJBLCQO-HOTGVXAUSA-N 1 0 247.382 3.325 10 0 BGAERO C[NH2+][C@@H](c1ccco1)c1ccc2c(c1)CCCC2 ZINC000035459962 173456595 /nfs/dbraw/zinc/45/65/95/173456595.db2.gz BYAHYZYYDCQBPR-MRXNPFEDSA-N 1 0 241.334 3.467 10 0 BGAERO C[NH2+][C@H](c1ccc2c(c1)CCCC2)[C@H]1C[C@H]1C ZINC000035460447 173456619 /nfs/dbraw/zinc/45/66/19/173456619.db2.gz IDEVXDMAKBMNHM-XFBWCDHKSA-N 1 0 229.367 3.482 10 0 BGAERO C[NH2+][C@H](c1ccc(OC)c(Cl)c1)C1CC1 ZINC000035462077 173456989 /nfs/dbraw/zinc/45/69/89/173456989.db2.gz YJXPLWFXPBFWKG-LBPRGKRZSA-N 1 0 225.719 3.019 10 0 BGAERO CC[C@@H](C)[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463339 170797462 /nfs/dbraw/zinc/79/74/62/170797462.db2.gz YAXHRGPHKMRQGH-YGRLFVJLSA-N 1 0 237.343 3.010 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463341 171398772 /nfs/dbraw/zinc/39/87/72/171398772.db2.gz YAXHRGPHKMRQGH-HZMBPMFUSA-N 1 0 237.343 3.010 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc(OC)c(OC)c1 ZINC000035463345 171373744 /nfs/dbraw/zinc/37/37/44/171373744.db2.gz YAXHRGPHKMRQGH-IINYFYTJSA-N 1 0 237.343 3.010 10 0 BGAERO C[NH2+][C@@H](CC(C)C)c1ccc(OC)c(OC)c1 ZINC000035463385 173422001 /nfs/dbraw/zinc/42/20/01/173422001.db2.gz SKZKRAQLHNMPRA-LBPRGKRZSA-N 1 0 237.343 3.010 10 0 BGAERO C[NH2+][C@H](c1ccc(OC)c(OC)c1)C1CCCC1 ZINC000035463464 173457147 /nfs/dbraw/zinc/45/71/47/173457147.db2.gz PZLQKLDGCSBKGU-HNNXBMFYSA-N 1 0 249.354 3.155 10 0 BGAERO C[NH2+][C@H](c1cc(C)oc1C)c1ccc(F)cc1 ZINC000035463541 173428215 /nfs/dbraw/zinc/42/82/15/173428215.db2.gz CWETXQWRNSBAGI-AWEZNQCLSA-N 1 0 233.286 3.344 10 0 BGAERO C[NH2+][C@H](Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000035463729 173454611 /nfs/dbraw/zinc/45/46/11/173454611.db2.gz ISRISWMMGCWOJN-OAHLLOKOSA-N 1 0 247.288 3.468 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000035463836 173425209 /nfs/dbraw/zinc/42/52/09/173425209.db2.gz XSOKYGHTSPHFPE-HNNXBMFYSA-N 1 0 247.288 3.468 10 0 BGAERO C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(F)cc1 ZINC000035463837 173454375 /nfs/dbraw/zinc/45/43/75/173454375.db2.gz XSOKYGHTSPHFPE-OAHLLOKOSA-N 1 0 247.288 3.468 10 0 BGAERO C[NH2+][C@H](Cc1ccccc1F)c1ccc(F)cc1 ZINC000035463890 173454440 /nfs/dbraw/zinc/45/44/40/173454440.db2.gz ALSGQZGQHZJZRF-OAHLLOKOSA-N 1 0 247.288 3.468 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000035463992 173426113 /nfs/dbraw/zinc/42/61/13/173426113.db2.gz TXNUEEQAXVOLLF-HNNXBMFYSA-N 1 0 229.298 3.329 10 0 BGAERO C[NH2+][C@H](Cc1ccccc1)c1ccc(F)cc1 ZINC000035463995 387779564 /nfs/dbraw/zinc/77/95/64/387779564.db2.gz TXNUEEQAXVOLLF-OAHLLOKOSA-N 1 0 229.298 3.329 10 0 BGAERO C[NH2+][C@H](c1ccsc1)c1ccccc1 ZINC000035464805 387780012 /nfs/dbraw/zinc/78/00/12/387780012.db2.gz QPWIZNIFEFHHPC-LBPRGKRZSA-N 1 0 203.310 3.057 10 0 BGAERO C[NH2+][C@@H](c1ccsc1)c1ccccc1 ZINC000035464808 387778081 /nfs/dbraw/zinc/77/80/81/387778081.db2.gz QPWIZNIFEFHHPC-GFCCVEGCSA-N 1 0 203.310 3.057 10 0 BGAERO C[NH2+][C@@H](Cc1cccc(OC)c1)c1ccccc1 ZINC000035465159 173426157 /nfs/dbraw/zinc/42/61/57/173426157.db2.gz RISXBZQJYBKUBZ-INIZCTEOSA-N 1 0 241.334 3.198 10 0 BGAERO C[NH2+][C@@H](c1ccccc1)c1c(F)cccc1F ZINC000035465174 173429834 /nfs/dbraw/zinc/42/98/34/173429834.db2.gz HBEYZAVXHXJSNV-AWEZNQCLSA-N 1 0 233.261 3.274 10 0 BGAERO C[NH2+][C@@H](c1ccccc1)c1cccc(OC)c1 ZINC000035465240 173429656 /nfs/dbraw/zinc/42/96/56/173429656.db2.gz GBHRQCNRGOIGOC-HNNXBMFYSA-N 1 0 227.307 3.004 10 0 BGAERO CCCC[C@H]([NH2+]C)c1ccc(OC)cc1 ZINC000035465592 169011889 /nfs/dbraw/zinc/01/18/89/169011889.db2.gz JAEOJOXXJZUNDI-ZDUSSCGKSA-N 1 0 207.317 3.146 10 0 BGAERO CCCC[C@@H]([NH2+]C)c1ccc(OC)cc1 ZINC000035465594 357251880 /nfs/dbraw/zinc/25/18/80/357251880.db2.gz JAEOJOXXJZUNDI-CYBMUJFWSA-N 1 0 207.317 3.146 10 0 BGAERO C[NH2+][C@@H](CCC(C)C)c1ccc(OC)cc1 ZINC000035465662 387779484 /nfs/dbraw/zinc/77/94/84/387779484.db2.gz BCDVLYVVUUKZGT-AWEZNQCLSA-N 1 0 221.344 3.392 10 0 BGAERO C[NH2+][C@H](CCC(C)C)c1ccc(OC)cc1 ZINC000035465664 387779461 /nfs/dbraw/zinc/77/94/61/387779461.db2.gz BCDVLYVVUUKZGT-CQSZACIVSA-N 1 0 221.344 3.392 10 0 BGAERO C[NH2+][C@H](c1ccc(OC)cc1)c1cccc(C)c1 ZINC000035465894 173456553 /nfs/dbraw/zinc/45/65/53/173456553.db2.gz RDAKRLNHFGWCNM-MRXNPFEDSA-N 1 0 241.334 3.312 10 0 BGAERO C[NH2+][C@H](c1ccoc1C)c1ccc(C)cc1 ZINC000035466059 173428022 /nfs/dbraw/zinc/42/80/22/173428022.db2.gz OQDCDCMIKMTAEV-AWEZNQCLSA-N 1 0 215.296 3.205 10 0 BGAERO CC[C@@H](C)[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466705 170797720 /nfs/dbraw/zinc/79/77/20/170797720.db2.gz IISNUSCONWURRU-YGRLFVJLSA-N 1 0 237.343 3.010 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466706 171399228 /nfs/dbraw/zinc/39/92/28/171399228.db2.gz IISNUSCONWURRU-HZMBPMFUSA-N 1 0 237.343 3.010 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1cc(OC)ccc1OC ZINC000035466708 171373195 /nfs/dbraw/zinc/37/31/95/171373195.db2.gz IISNUSCONWURRU-IINYFYTJSA-N 1 0 237.343 3.010 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000035466870 171399273 /nfs/dbraw/zinc/39/92/73/171399273.db2.gz OZFWGFJDVGFQTJ-NHYWBVRUSA-N 1 0 249.354 3.155 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)OCCCO2 ZINC000035466872 171373912 /nfs/dbraw/zinc/37/39/12/171373912.db2.gz OZFWGFJDVGFQTJ-XHDPSFHLSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCO2 ZINC000035467811 169373622 /nfs/dbraw/zinc/37/36/22/169373622.db2.gz BGWHISYNLXQMOM-ABAIWWIYSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCO2 ZINC000035467812 169495393 /nfs/dbraw/zinc/49/53/93/169495393.db2.gz BGWHISYNLXQMOM-NHYWBVRUSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCO2 ZINC000035467813 169372143 /nfs/dbraw/zinc/37/21/43/169372143.db2.gz BGWHISYNLXQMOM-IAQYHMDHSA-N 1 0 233.355 3.318 10 0 BGAERO C[NH2+][C@H](c1ccc2c(c1)CCO2)C1CCCCC1 ZINC000035467889 173457044 /nfs/dbraw/zinc/45/70/44/173457044.db2.gz ZGKDCHDUFOJFDF-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO C[NH2+][C@@H](c1occc1C)c1ccc(OC)cc1C ZINC000035468330 173456939 /nfs/dbraw/zinc/45/69/39/173456939.db2.gz VRRNNRKMPYJDJO-CQSZACIVSA-N 1 0 245.322 3.214 10 0 BGAERO C[NH2+][C@@H](c1ccc(OC)cc1C)C(C)(C)C ZINC000035468368 173428681 /nfs/dbraw/zinc/42/86/81/173428681.db2.gz FLDNMRBTZHQCAT-ZDUSSCGKSA-N 1 0 221.344 3.310 10 0 BGAERO C[NH2+][C@H](c1ccc(OC)cc1C)C1CCCC1 ZINC000035468523 173456970 /nfs/dbraw/zinc/45/69/70/173456970.db2.gz SNCOOALSYOUJAS-HNNXBMFYSA-N 1 0 233.355 3.454 10 0 BGAERO C[NH2+][C@H](CC(F)(F)F)c1ccc(OC)cc1C ZINC000035468528 173452067 /nfs/dbraw/zinc/45/20/67/173452067.db2.gz IWZHJFQIBNARFV-LLVKDONJSA-N 1 0 247.260 3.217 10 0 BGAERO CCC[C@@H](C)[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000035469682 169373750 /nfs/dbraw/zinc/37/37/50/169373750.db2.gz SVZUDLABQZMSJN-ABAIWWIYSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[C@@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000035469684 169372460 /nfs/dbraw/zinc/37/24/60/169372460.db2.gz SVZUDLABQZMSJN-IAQYHMDHSA-N 1 0 249.354 3.155 10 0 BGAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)OCCO2 ZINC000035487502 173422344 /nfs/dbraw/zinc/42/23/44/173422344.db2.gz UZZBMTMSHOGUAD-LBPRGKRZSA-N 1 0 249.354 3.155 10 0 BGAERO C[NH2+]C(c1cccs1)c1cccs1 ZINC000035487847 173320829 /nfs/dbraw/zinc/32/08/29/173320829.db2.gz UYLRAIBYHGPHDJ-UHFFFAOYSA-N 1 0 209.339 3.118 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1OC)c1cccs1 ZINC000035487918 173425674 /nfs/dbraw/zinc/42/56/74/173425674.db2.gz WIDXYGZJIDZNTR-LBPRGKRZSA-N 1 0 247.363 3.260 10 0 BGAERO C[NH2+][C@@H](Cc1cccc(OC)c1)c1cccs1 ZINC000035488080 173426121 /nfs/dbraw/zinc/42/61/21/173426121.db2.gz LOJFSAHEVOXWNI-ZDUSSCGKSA-N 1 0 247.363 3.260 10 0 BGAERO C[NH2+][C@H](Cc1cccc(OC)c1)c1cccs1 ZINC000035488082 173454159 /nfs/dbraw/zinc/45/41/59/173454159.db2.gz LOJFSAHEVOXWNI-CYBMUJFWSA-N 1 0 247.363 3.260 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)c1cccs1 ZINC000035488312 173426111 /nfs/dbraw/zinc/42/61/11/173426111.db2.gz NGEAYUXSQYBGNE-ZDUSSCGKSA-N 1 0 247.363 3.260 10 0 BGAERO C[NH2+][C@H](Cc1ccc(OC)cc1)c1cccs1 ZINC000035488314 173454604 /nfs/dbraw/zinc/45/46/04/173454604.db2.gz NGEAYUXSQYBGNE-CYBMUJFWSA-N 1 0 247.363 3.260 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488901 171398911 /nfs/dbraw/zinc/39/89/11/171398911.db2.gz FTRSTSCDGRBIDC-HZMBPMFUSA-N 1 0 237.343 3.010 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc(OC)cc1OC ZINC000035488907 171373368 /nfs/dbraw/zinc/37/33/68/171373368.db2.gz FTRSTSCDGRBIDC-IINYFYTJSA-N 1 0 237.343 3.010 10 0 BGAERO C[NH2+][C@@H](c1ccc(OC)cc1OC)C1CCCC1 ZINC000035489069 173428178 /nfs/dbraw/zinc/42/81/78/173428178.db2.gz HYZCBRZVEBYMLX-OAHLLOKOSA-N 1 0 249.354 3.155 10 0 BGAERO C[NH2+][C@@H](c1c(C)c(C)cc(C)c1C)[C@H]1CCCO1 ZINC000035491334 173426892 /nfs/dbraw/zinc/42/68/92/173426892.db2.gz IFNBMXIQBXBXMI-GDBMZVCRSA-N 1 0 247.382 3.360 10 0 BGAERO C[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@H]1CCCO1 ZINC000035492645 173426239 /nfs/dbraw/zinc/42/62/39/173426239.db2.gz KDBZQHNZRAMPPZ-UKRRQHHQSA-N 1 0 233.355 3.051 10 0 BGAERO CCCCc1ccc([C@H]([NH2+]C)[C@@H]2CCCO2)cc1 ZINC000035493188 169022887 /nfs/dbraw/zinc/02/28/87/169022887.db2.gz LAWIFDYSAJZKIV-HOTGVXAUSA-N 1 0 247.382 3.469 10 0 BGAERO CCCCc1ccc([C@@H]([NH2+]C)[C@@H]2CCCO2)cc1 ZINC000035493190 169022000 /nfs/dbraw/zinc/02/20/00/169022000.db2.gz LAWIFDYSAJZKIV-JKSUJKDBSA-N 1 0 247.382 3.469 10 0 BGAERO CCCCc1ccc([C@H]([NH2+]C)[C@H]2CCCO2)cc1 ZINC000035493193 169023054 /nfs/dbraw/zinc/02/30/54/169023054.db2.gz LAWIFDYSAJZKIV-CVEARBPZSA-N 1 0 247.382 3.469 10 0 BGAERO CCCCc1ccc([C@@H]([NH2+]C)[C@H]2CCCO2)cc1 ZINC000035493196 169021539 /nfs/dbraw/zinc/02/15/39/169021539.db2.gz LAWIFDYSAJZKIV-HZPDHXFCSA-N 1 0 247.382 3.469 10 0 BGAERO C[NH2+][C@@H](c1ccc(C(C)(C)C)cc1)[C@@H]1CCCO1 ZINC000035493708 173427247 /nfs/dbraw/zinc/42/72/47/173427247.db2.gz WJZTVAOGVXQXPH-GJZGRUSLSA-N 1 0 247.382 3.424 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1)c1ccc(F)c(F)c1 ZINC000035494812 173426083 /nfs/dbraw/zinc/42/60/83/173426083.db2.gz NWPLDEFLHOEAQD-HNNXBMFYSA-N 1 0 247.288 3.468 10 0 BGAERO CCc1ccc([C@@H]([NH2+]C)c2occc2C)cc1 ZINC000035494868 171835040 /nfs/dbraw/zinc/83/50/40/171835040.db2.gz HPCGSNPCPARRIR-CQSZACIVSA-N 1 0 229.323 3.459 10 0 BGAERO CCc1ccc([C@@H]([NH2+]C)c2ccoc2C)cc1 ZINC000035494890 171835235 /nfs/dbraw/zinc/83/52/35/171835235.db2.gz YHWXLQORLGNQMQ-OAHLLOKOSA-N 1 0 229.323 3.459 10 0 BGAERO CCCCC[C@H]([NH2+]C)c1ccc2c(c1)CC(=O)N2 ZINC000035495647 168745570 /nfs/dbraw/zinc/74/55/70/168745570.db2.gz RRSHKLLWJKSJNN-ZDUSSCGKSA-N 1 0 246.354 3.022 10 0 BGAERO CCCc1ccc([C@H]([NH2+]C)[C@@H]2CCCO2)cc1 ZINC000035496289 169575182 /nfs/dbraw/zinc/57/51/82/169575182.db2.gz BTIWZGJQBCXPGZ-GJZGRUSLSA-N 1 0 233.355 3.079 10 0 BGAERO CCCc1ccc([C@@H]([NH2+]C)[C@@H]2CCCO2)cc1 ZINC000035496291 169573321 /nfs/dbraw/zinc/57/33/21/169573321.db2.gz BTIWZGJQBCXPGZ-LSDHHAIUSA-N 1 0 233.355 3.079 10 0 BGAERO C[NH2+][C@@H](c1cc(C)sc1C)C1CCC1 ZINC000035497831 387051498 /nfs/dbraw/zinc/05/14/98/387051498.db2.gz QDQSMUUYFSSWEU-GFCCVEGCSA-N 1 0 209.358 3.426 10 0 BGAERO C[NH2+][C@H](c1cc(C)sc1C)C1CCC1 ZINC000035497833 173455583 /nfs/dbraw/zinc/45/55/83/173455583.db2.gz QDQSMUUYFSSWEU-LBPRGKRZSA-N 1 0 209.358 3.426 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)s1)C(C)C ZINC000035498031 387051626 /nfs/dbraw/zinc/05/16/26/387051626.db2.gz MWPCJLVDSWVZPR-VIFPVBQESA-N 1 0 203.738 3.318 10 0 BGAERO C[NH2+][C@@H](c1ccc(Cl)s1)C(C)C ZINC000035498033 173427403 /nfs/dbraw/zinc/42/74/03/173427403.db2.gz MWPCJLVDSWVZPR-SECBINFHSA-N 1 0 203.738 3.318 10 0 BGAERO C[NH2+][C@@H](c1ccc(Cl)s1)C1CCC1 ZINC000035498465 357491749 /nfs/dbraw/zinc/49/17/49/357491749.db2.gz FPQHIKZTIXOMMP-SNVBAGLBSA-N 1 0 215.749 3.462 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)s1)C1CCC1 ZINC000035498467 357492617 /nfs/dbraw/zinc/49/26/17/357492617.db2.gz FPQHIKZTIXOMMP-JTQLQIEISA-N 1 0 215.749 3.462 10 0 BGAERO C[NH2+][C@H](c1ccc(OC(C)C)cc1)[C@@H]1C[C@@H]1C ZINC000035498916 173457137 /nfs/dbraw/zinc/45/71/37/173457137.db2.gz BUCBSYNCYMHKHV-NILFDRSVSA-N 1 0 233.355 3.390 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1cnn(-c2ccccc2)c1 ZINC000035500512 171399117 /nfs/dbraw/zinc/39/91/17/171399117.db2.gz BBLPPSRVUFFTEO-WFASDCNBSA-N 1 0 243.354 3.179 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1cnn(-c2ccccc2)c1 ZINC000035500515 171373617 /nfs/dbraw/zinc/37/36/17/171373617.db2.gz BBLPPSRVUFFTEO-SWLSCSKDSA-N 1 0 243.354 3.179 10 0 BGAERO C[NH2+][C@@H](C)c1cc(Cl)sc1Cl ZINC000035502105 387126113 /nfs/dbraw/zinc/12/61/13/387126113.db2.gz REASSHICHSQQED-BYPYZUCNSA-N 1 0 210.129 3.335 10 0 BGAERO C[NH2+][C@H](C)c1cc(Cl)sc1Cl ZINC000035502106 173448313 /nfs/dbraw/zinc/44/83/13/173448313.db2.gz REASSHICHSQQED-SCSAIBSYSA-N 1 0 210.129 3.335 10 0 BGAERO C[NH2+][C@@H](c1ccc2c(c1)C[C@@H](C)O2)C(C)(C)C ZINC000035504622 173428737 /nfs/dbraw/zinc/42/87/37/173428737.db2.gz PVXFXIVFNAHVIQ-YGRLFVJLSA-N 1 0 233.355 3.317 10 0 BGAERO C[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)C(C)(C)C ZINC000035504630 173457772 /nfs/dbraw/zinc/45/77/72/173457772.db2.gz PVXFXIVFNAHVIQ-IINYFYTJSA-N 1 0 233.355 3.317 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504927 171399416 /nfs/dbraw/zinc/39/94/16/171399416.db2.gz OYSIJMBHNDPGME-PGUXBMHVSA-N 1 0 233.355 3.317 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)C[C@H](C)O2 ZINC000035504933 171374115 /nfs/dbraw/zinc/37/41/15/171374115.db2.gz OYSIJMBHNDPGME-ZIBATOQPSA-N 1 0 233.355 3.317 10 0 BGAERO C[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)C1CCCC1 ZINC000035505283 173428526 /nfs/dbraw/zinc/42/85/26/173428526.db2.gz GKWDWHOHZCJOCS-MEDUHNTESA-N 1 0 245.366 3.461 10 0 BGAERO C[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)C1CCCC1 ZINC000035505286 173457361 /nfs/dbraw/zinc/45/73/61/173457361.db2.gz GKWDWHOHZCJOCS-BZNIZROVSA-N 1 0 245.366 3.461 10 0 BGAERO C[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)C1CCC1 ZINC000035505297 173457583 /nfs/dbraw/zinc/45/75/83/173457583.db2.gz VBDJXXJMAXBLHU-BMIGLBTASA-N 1 0 231.339 3.071 10 0 BGAERO C[NH2+][C@@H](c1ccoc1C)c1ccc(OC)c(C)c1 ZINC000035506100 173456973 /nfs/dbraw/zinc/45/69/73/173456973.db2.gz OTWRPDMISAPRTD-OAHLLOKOSA-N 1 0 245.322 3.214 10 0 BGAERO C[NH2+][C@H](c1ccoc1C)c1ccc(OC)c(F)c1 ZINC000035507491 173428313 /nfs/dbraw/zinc/42/83/13/173428313.db2.gz DBTNCIYZLNPCTO-AWEZNQCLSA-N 1 0 249.285 3.045 10 0 BGAERO C[NH2+][C@@H](c1ccc(OC)c(F)c1)C1CCCC1 ZINC000035508018 173428444 /nfs/dbraw/zinc/42/84/44/173428444.db2.gz VTLBTPKPEIMPPS-CQSZACIVSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000035509530 170147536 /nfs/dbraw/zinc/14/75/36/170147536.db2.gz IMZSPBAONOXSND-GJZGRUSLSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1CCCO1 ZINC000035509532 170163121 /nfs/dbraw/zinc/16/31/21/170163121.db2.gz IMZSPBAONOXSND-LSDHHAIUSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000035509534 170148016 /nfs/dbraw/zinc/14/80/16/170148016.db2.gz IMZSPBAONOXSND-CABCVRRESA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1CCCO1 ZINC000035509536 170163463 /nfs/dbraw/zinc/16/34/63/170163463.db2.gz IMZSPBAONOXSND-HUUCEWRRSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@@H](c1ccco1)c1ccc(C)s1 ZINC000035509925 170148498 /nfs/dbraw/zinc/14/84/98/170148498.db2.gz REGKEIZQIXHGOD-LBPRGKRZSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@H](c1ccco1)c1ccc(C)s1 ZINC000035509927 170164744 /nfs/dbraw/zinc/16/47/44/170164744.db2.gz REGKEIZQIXHGOD-GFCCVEGCSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(C)s1 ZINC000035509928 170148971 /nfs/dbraw/zinc/14/89/71/170148971.db2.gz JVFUAEFLGFHNRB-LBPRGKRZSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc(C)s1 ZINC000035509930 170164772 /nfs/dbraw/zinc/16/47/72/170164772.db2.gz JVFUAEFLGFHNRB-GFCCVEGCSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)s1)c1ccncc1 ZINC000035510094 170148681 /nfs/dbraw/zinc/14/86/81/170148681.db2.gz GNSLUQZALYEQCL-ZDUSSCGKSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)s1)c1ccncc1 ZINC000035510096 170165099 /nfs/dbraw/zinc/16/50/99/170165099.db2.gz GNSLUQZALYEQCL-CYBMUJFWSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)s1)c1cccnc1 ZINC000035510098 170148818 /nfs/dbraw/zinc/14/88/18/170148818.db2.gz LGYJKBUIRYRZRD-ZDUSSCGKSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)s1)c1cccnc1 ZINC000035510100 170164663 /nfs/dbraw/zinc/16/46/63/170164663.db2.gz LGYJKBUIRYRZRD-CYBMUJFWSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)C(C)C ZINC000035539474 170147973 /nfs/dbraw/zinc/14/79/73/170147973.db2.gz QLMQBMVBCKMDAJ-CQSZACIVSA-N 1 0 237.343 3.010 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)C(C)C ZINC000035539476 170163994 /nfs/dbraw/zinc/16/39/94/170163994.db2.gz QLMQBMVBCKMDAJ-AWEZNQCLSA-N 1 0 237.343 3.010 10 0 BGAERO CCC[C@@H]([NH2+]CC)c1ccc(OC)c(OC)c1 ZINC000035539480 169399984 /nfs/dbraw/zinc/39/99/84/169399984.db2.gz BJTCEVBRNDNKAT-GFCCVEGCSA-N 1 0 237.343 3.155 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)C1CCC1 ZINC000035539613 170147928 /nfs/dbraw/zinc/14/79/28/170147928.db2.gz RVHQOBQWWUDMJD-OAHLLOKOSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)C1CCC1 ZINC000035539615 170164262 /nfs/dbraw/zinc/16/42/62/170164262.db2.gz RVHQOBQWWUDMJD-HNNXBMFYSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@@H]1C[C@@H]1C ZINC000035539621 170147333 /nfs/dbraw/zinc/14/73/33/170147333.db2.gz BVVHJJFZDQBOAW-NVBFEUDRSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@@H]1C[C@@H]1C ZINC000035539623 170164025 /nfs/dbraw/zinc/16/40/25/170164025.db2.gz BVVHJJFZDQBOAW-JVLSTEMRSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(OC)c1)[C@H]1C[C@@H]1C ZINC000035539625 170147033 /nfs/dbraw/zinc/14/70/33/170147033.db2.gz BVVHJJFZDQBOAW-WBIUFABUSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(OC)c1)[C@H]1C[C@@H]1C ZINC000035539627 170164382 /nfs/dbraw/zinc/16/43/82/170164382.db2.gz BVVHJJFZDQBOAW-ITDIGPHOSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(F)cc1 ZINC000035539649 170147589 /nfs/dbraw/zinc/14/75/89/170147589.db2.gz AWJNZEDBXOFCFL-AWEZNQCLSA-N 1 0 233.286 3.426 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(F)cc1 ZINC000035539651 170164225 /nfs/dbraw/zinc/16/42/25/170164225.db2.gz AWJNZEDBXOFCFL-CQSZACIVSA-N 1 0 233.286 3.426 10 0 BGAERO CC[NH2+][C@H](c1ccco1)c1ccc(F)cc1 ZINC000035539657 170147434 /nfs/dbraw/zinc/14/74/34/170147434.db2.gz KOVPSMKSOJRMDB-ZDUSSCGKSA-N 1 0 219.259 3.118 10 0 BGAERO CC[NH2+][C@@H](c1ccco1)c1ccc(F)cc1 ZINC000035539659 170164001 /nfs/dbraw/zinc/16/40/01/170164001.db2.gz KOVPSMKSOJRMDB-CYBMUJFWSA-N 1 0 219.259 3.118 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc(F)cc1 ZINC000035539661 170147043 /nfs/dbraw/zinc/14/70/43/170147043.db2.gz KQUDJXKRSCZAJF-ZDUSSCGKSA-N 1 0 219.259 3.118 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(F)cc1 ZINC000035539663 170164386 /nfs/dbraw/zinc/16/43/86/170164386.db2.gz KQUDJXKRSCZAJF-CYBMUJFWSA-N 1 0 219.259 3.118 10 0 BGAERO CC[NH2+][C@H](c1occc1C)c1ccc(F)cc1 ZINC000035539673 170147009 /nfs/dbraw/zinc/14/70/09/170147009.db2.gz ZKRMRZQIWVUEQF-ZDUSSCGKSA-N 1 0 233.286 3.426 10 0 BGAERO CC[NH2+][C@@H](c1occc1C)c1ccc(F)cc1 ZINC000035539675 170164435 /nfs/dbraw/zinc/16/44/35/170164435.db2.gz ZKRMRZQIWVUEQF-CYBMUJFWSA-N 1 0 233.286 3.426 10 0 BGAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(F)cc1 ZINC000035539689 170147770 /nfs/dbraw/zinc/14/77/70/170147770.db2.gz UTUXQDUTBOKCAN-AWEZNQCLSA-N 1 0 233.286 3.426 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(F)cc1 ZINC000035539691 170164438 /nfs/dbraw/zinc/16/44/38/170164438.db2.gz UTUXQDUTBOKCAN-CQSZACIVSA-N 1 0 233.286 3.426 10 0 BGAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000035540349 170147701 /nfs/dbraw/zinc/14/77/01/170147701.db2.gz UZRQGCHERZQPNV-STQMWFEESA-N 1 0 239.746 3.170 10 0 BGAERO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCCO1 ZINC000035540350 170164274 /nfs/dbraw/zinc/16/42/74/170164274.db2.gz UZRQGCHERZQPNV-QWHCGFSZSA-N 1 0 239.746 3.170 10 0 BGAERO CC[NH2+][C@@H](c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000035540351 170147406 /nfs/dbraw/zinc/14/74/06/170147406.db2.gz UZRQGCHERZQPNV-OLZOCXBDSA-N 1 0 239.746 3.170 10 0 BGAERO CC[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCCO1 ZINC000035540352 170163976 /nfs/dbraw/zinc/16/39/76/170163976.db2.gz UZRQGCHERZQPNV-CHWSQXEVSA-N 1 0 239.746 3.170 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccccc1 ZINC000035540431 170148305 /nfs/dbraw/zinc/14/83/05/170148305.db2.gz ZAKPCHMZOQIVFB-AWEZNQCLSA-N 1 0 215.296 3.287 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccccc1 ZINC000035540432 170164764 /nfs/dbraw/zinc/16/47/64/170164764.db2.gz ZAKPCHMZOQIVFB-CQSZACIVSA-N 1 0 215.296 3.287 10 0 BGAERO CC[NH2+][C@H](c1ccoc1C)c1ccccc1 ZINC000035540449 170148526 /nfs/dbraw/zinc/14/85/26/170148526.db2.gz VOYYQPYNGHBGRU-AWEZNQCLSA-N 1 0 215.296 3.287 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1C)c1ccccc1 ZINC000035540450 170164976 /nfs/dbraw/zinc/16/49/76/170164976.db2.gz VOYYQPYNGHBGRU-CQSZACIVSA-N 1 0 215.296 3.287 10 0 BGAERO CC[NH2+][C@@H](c1ccccc1)c1cccc(OC)c1 ZINC000035540589 170148456 /nfs/dbraw/zinc/14/84/56/170148456.db2.gz RLPZVWNMADRBEW-INIZCTEOSA-N 1 0 241.334 3.394 10 0 BGAERO CC[NH2+][C@H](c1ccccc1)c1cccc(OC)c1 ZINC000035540590 170165337 /nfs/dbraw/zinc/16/53/37/170165337.db2.gz RLPZVWNMADRBEW-MRXNPFEDSA-N 1 0 241.334 3.394 10 0 BGAERO CC[NH2+][C@@H](c1ccccc1)c1ccccc1OC ZINC000035540605 170148494 /nfs/dbraw/zinc/14/84/94/170148494.db2.gz CMQZFBXDJBXBCM-INIZCTEOSA-N 1 0 241.334 3.394 10 0 BGAERO CC[NH2+][C@H](c1ccccc1)c1ccccc1OC ZINC000035540607 170164881 /nfs/dbraw/zinc/16/48/81/170164881.db2.gz CMQZFBXDJBXBCM-MRXNPFEDSA-N 1 0 241.334 3.394 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)o1)c1ccc(OC)cc1 ZINC000035540702 170147856 /nfs/dbraw/zinc/14/78/56/170147856.db2.gz VIVKCRXEVOXSQY-HNNXBMFYSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)o1)c1ccc(OC)cc1 ZINC000035540703 170164415 /nfs/dbraw/zinc/16/44/15/170164415.db2.gz VIVKCRXEVOXSQY-OAHLLOKOSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@H](c1ccsc1)c1ccc(OC)cc1 ZINC000035540704 170147513 /nfs/dbraw/zinc/14/75/13/170147513.db2.gz IVXIMIGJICAEOP-AWEZNQCLSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@@H](c1ccsc1)c1ccc(OC)cc1 ZINC000035540705 170164412 /nfs/dbraw/zinc/16/44/12/170164412.db2.gz IVXIMIGJICAEOP-CQSZACIVSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@H](c1occc1C)c1ccc(OC)cc1 ZINC000035540714 170147592 /nfs/dbraw/zinc/14/75/92/170147592.db2.gz KPUYXJLYYPIEBD-AWEZNQCLSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1occc1C)c1ccc(OC)cc1 ZINC000035540715 170164322 /nfs/dbraw/zinc/16/43/22/170164322.db2.gz KPUYXJLYYPIEBD-CQSZACIVSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@H](c1ccoc1C)c1ccc(OC)cc1 ZINC000035540722 170147822 /nfs/dbraw/zinc/14/78/22/170147822.db2.gz FFAJACCBCWFFSG-HNNXBMFYSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1C)c1ccc(OC)cc1 ZINC000035540723 170164393 /nfs/dbraw/zinc/16/43/93/170164393.db2.gz FFAJACCBCWFFSG-OAHLLOKOSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@H](c1cccs1)c1ccc(OC)cc1 ZINC000035540724 170147987 /nfs/dbraw/zinc/14/79/87/170147987.db2.gz NFEDWDSOTCVEIT-AWEZNQCLSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@@H](c1cccs1)c1ccc(OC)cc1 ZINC000035540725 170164043 /nfs/dbraw/zinc/16/40/43/170164043.db2.gz NFEDWDSOTCVEIT-CQSZACIVSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@@H](CC(F)(F)F)c1ccc(OC)cc1 ZINC000035540898 170143854 /nfs/dbraw/zinc/14/38/54/170143854.db2.gz JKDNJTVCWJWFPQ-NSHDSACASA-N 1 0 247.260 3.298 10 0 BGAERO CC[NH2+][C@H](CC(F)(F)F)c1ccc(OC)cc1 ZINC000035540899 170160878 /nfs/dbraw/zinc/16/08/78/170160878.db2.gz JKDNJTVCWJWFPQ-LLVKDONJSA-N 1 0 247.260 3.298 10 0 BGAERO CC[NH2+][C@H](c1ccco1)c1ccc(OCC)cc1 ZINC000035541195 170148344 /nfs/dbraw/zinc/14/83/44/170148344.db2.gz DHLNCBJQRWDBAC-HNNXBMFYSA-N 1 0 245.322 3.377 10 0 BGAERO CC[NH2+][C@@H](c1ccco1)c1ccc(OCC)cc1 ZINC000035541196 170164403 /nfs/dbraw/zinc/16/44/03/170164403.db2.gz DHLNCBJQRWDBAC-OAHLLOKOSA-N 1 0 245.322 3.377 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc(OCC)cc1 ZINC000035541197 170148437 /nfs/dbraw/zinc/14/84/37/170148437.db2.gz RQSOEHGCNUWPBG-HNNXBMFYSA-N 1 0 245.322 3.377 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(OCC)cc1 ZINC000035541198 170164286 /nfs/dbraw/zinc/16/42/86/170164286.db2.gz RQSOEHGCNUWPBG-OAHLLOKOSA-N 1 0 245.322 3.377 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@@H]1C[C@@H]1C ZINC000035541365 170148916 /nfs/dbraw/zinc/14/89/16/170148916.db2.gz INLXZPUQNOBSOZ-GLQYFDAESA-N 1 0 233.355 3.392 10 0 BGAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@@H]1C[C@@H]1C ZINC000035541366 170163859 /nfs/dbraw/zinc/16/38/59/170163859.db2.gz INLXZPUQNOBSOZ-NILFDRSVSA-N 1 0 233.355 3.392 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OCC)cc1)[C@H]1C[C@@H]1C ZINC000035541367 170148587 /nfs/dbraw/zinc/14/85/87/170148587.db2.gz INLXZPUQNOBSOZ-CQDKDKBSSA-N 1 0 233.355 3.392 10 0 BGAERO CC[NH2+][C@H](c1ccc(OCC)cc1)[C@H]1C[C@@H]1C ZINC000035541368 170164100 /nfs/dbraw/zinc/16/41/00/170164100.db2.gz INLXZPUQNOBSOZ-TUKIKUTGSA-N 1 0 233.355 3.392 10 0 BGAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)C1CCC1 ZINC000035541489 170147000 /nfs/dbraw/zinc/14/70/00/170147000.db2.gz YYVGWPHCBZYEPJ-OAHLLOKOSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@H](c1cc(OC)ccc1OC)C1CCC1 ZINC000035541490 170163131 /nfs/dbraw/zinc/16/31/31/170163131.db2.gz YYVGWPHCBZYEPJ-HNNXBMFYSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035541493 170147905 /nfs/dbraw/zinc/14/79/05/170147905.db2.gz IMMCAUCFKDVUJM-JVLSTEMRSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@H](c1cc(OC)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035541494 170163256 /nfs/dbraw/zinc/16/32/56/170163256.db2.gz IMMCAUCFKDVUJM-NVBFEUDRSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@@H](c1cc(OC)ccc1OC)[C@H]1C[C@@H]1C ZINC000035541495 170147594 /nfs/dbraw/zinc/14/75/94/170147594.db2.gz IMMCAUCFKDVUJM-ITDIGPHOSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@H](c1cc(OC)ccc1OC)[C@H]1C[C@@H]1C ZINC000035541496 170163442 /nfs/dbraw/zinc/16/34/42/170163442.db2.gz IMMCAUCFKDVUJM-WBIUFABUSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@@H](c1ccc(CCOC)cc1)[C@@H]1C[C@@H]1C ZINC000035542037 170148028 /nfs/dbraw/zinc/14/80/28/170148028.db2.gz NEALHNQKTWDODI-MAZHCROVSA-N 1 0 247.382 3.182 10 0 BGAERO CC[NH2+][C@H](c1ccc(CCOC)cc1)[C@@H]1C[C@@H]1C ZINC000035542038 170164157 /nfs/dbraw/zinc/16/41/57/170164157.db2.gz NEALHNQKTWDODI-APHBMKBZSA-N 1 0 247.382 3.182 10 0 BGAERO CC[NH2+][C@@H](c1ccc(CCOC)cc1)[C@H]1C[C@@H]1C ZINC000035542039 170147025 /nfs/dbraw/zinc/14/70/25/170147025.db2.gz NEALHNQKTWDODI-RCBQFDQVSA-N 1 0 247.382 3.182 10 0 BGAERO CC[NH2+][C@H](c1ccc(CCOC)cc1)[C@H]1C[C@@H]1C ZINC000035542040 170164203 /nfs/dbraw/zinc/16/42/03/170164203.db2.gz NEALHNQKTWDODI-VBNZEHGJSA-N 1 0 247.382 3.182 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)C(C)(C)C ZINC000035542240 170148578 /nfs/dbraw/zinc/14/85/78/170148578.db2.gz PPYPQVJFPJAOIX-AWEZNQCLSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)C(C)(C)C ZINC000035542242 170163793 /nfs/dbraw/zinc/16/37/93/170163793.db2.gz PPYPQVJFPJAOIX-CQSZACIVSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@H](C)CC ZINC000035542356 170164166 /nfs/dbraw/zinc/16/41/66/170164166.db2.gz JASAIPZITADNET-ABAIWWIYSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@@H](C)CC ZINC000035542357 170164294 /nfs/dbraw/zinc/16/42/94/170164294.db2.gz JASAIPZITADNET-NHYWBVRUSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@H](C)CC ZINC000035542359 170148352 /nfs/dbraw/zinc/14/83/52/170148352.db2.gz JASAIPZITADNET-IAQYHMDHSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@@H](C)CC ZINC000035542361 170148303 /nfs/dbraw/zinc/14/83/03/170148303.db2.gz JASAIPZITADNET-XHDPSFHLSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)CCO2 ZINC000035542400 170143867 /nfs/dbraw/zinc/14/38/67/170143867.db2.gz RQVGGVBWSYDYFS-AWEZNQCLSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@H](CC(C)C)c1ccc2c(c1)CCO2 ZINC000035542402 170160929 /nfs/dbraw/zinc/16/09/29/170160929.db2.gz RQVGGVBWSYDYFS-CQSZACIVSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)C1CCCC1 ZINC000035542480 170148161 /nfs/dbraw/zinc/14/81/61/170148161.db2.gz WFFFWJIMDJAARW-MRXNPFEDSA-N 1 0 245.366 3.462 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)C1CCCC1 ZINC000035542481 170163790 /nfs/dbraw/zinc/16/37/90/170163790.db2.gz WFFFWJIMDJAARW-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCO2)C1CCC1 ZINC000035542483 170148296 /nfs/dbraw/zinc/14/82/96/170148296.db2.gz DLPJZBCXASJCCY-OAHLLOKOSA-N 1 0 231.339 3.072 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCO2)C1CCC1 ZINC000035542484 170163854 /nfs/dbraw/zinc/16/38/54/170163854.db2.gz DLPJZBCXASJCCY-HNNXBMFYSA-N 1 0 231.339 3.072 10 0 BGAERO CC[NH2+][C@@H](c1cccnc1)c1ccc(C)cc1C ZINC000035542677 170148369 /nfs/dbraw/zinc/14/83/69/170148369.db2.gz SEPBOSTXTMLQNU-INIZCTEOSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@H](c1cccnc1)c1ccc(C)cc1C ZINC000035542679 170165232 /nfs/dbraw/zinc/16/52/32/170165232.db2.gz SEPBOSTXTMLQNU-MRXNPFEDSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)cc1C)[C@@H]1CCCO1 ZINC000035542842 170148024 /nfs/dbraw/zinc/14/80/24/170148024.db2.gz YNYVMUCPXBYLQJ-GJZGRUSLSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)cc1C)[C@@H]1CCCO1 ZINC000035542844 170163557 /nfs/dbraw/zinc/16/35/57/170163557.db2.gz YNYVMUCPXBYLQJ-LSDHHAIUSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)cc1C)[C@H]1CCCO1 ZINC000035542846 170147150 /nfs/dbraw/zinc/14/71/50/170147150.db2.gz YNYVMUCPXBYLQJ-CABCVRRESA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)cc1C)[C@H]1CCCO1 ZINC000035542848 170163227 /nfs/dbraw/zinc/16/32/27/170163227.db2.gz YNYVMUCPXBYLQJ-HUUCEWRRSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@H](c1ccco1)c1ccc(OC)cc1C ZINC000035542961 170165109 /nfs/dbraw/zinc/16/51/09/170165109.db2.gz DJHURJFKRSNTCS-HNNXBMFYSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1ccco1)c1ccc(OC)cc1C ZINC000035542962 170148902 /nfs/dbraw/zinc/14/89/02/170148902.db2.gz DJHURJFKRSNTCS-OAHLLOKOSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(OC)cc1C ZINC000035542964 170149453 /nfs/dbraw/zinc/14/94/53/170149453.db2.gz AILHNPAJJMUDEA-HNNXBMFYSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc(OC)cc1C ZINC000035542966 170164636 /nfs/dbraw/zinc/16/46/36/170164636.db2.gz AILHNPAJJMUDEA-OAHLLOKOSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)C1CCC1 ZINC000035543318 170147342 /nfs/dbraw/zinc/14/73/42/170147342.db2.gz KFCFHFYWYYDPDT-OAHLLOKOSA-N 1 0 233.355 3.454 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1C)C1CCC1 ZINC000035543320 170164270 /nfs/dbraw/zinc/16/42/70/170164270.db2.gz KFCFHFYWYYDPDT-HNNXBMFYSA-N 1 0 233.355 3.454 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)[C@@H]1C[C@@H]1C ZINC000035543330 170148099 /nfs/dbraw/zinc/14/80/99/170148099.db2.gz KNSMZNPKDVQMAA-GLQYFDAESA-N 1 0 233.355 3.310 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1C)[C@@H]1C[C@@H]1C ZINC000035543332 170164385 /nfs/dbraw/zinc/16/43/85/170164385.db2.gz KNSMZNPKDVQMAA-NILFDRSVSA-N 1 0 233.355 3.310 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1C)[C@H]1C[C@@H]1C ZINC000035543334 170148455 /nfs/dbraw/zinc/14/84/55/170148455.db2.gz KNSMZNPKDVQMAA-CQDKDKBSSA-N 1 0 233.355 3.310 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1C)[C@H]1C[C@@H]1C ZINC000035543336 170163981 /nfs/dbraw/zinc/16/39/81/170163981.db2.gz KNSMZNPKDVQMAA-TUKIKUTGSA-N 1 0 233.355 3.310 10 0 BGAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)C(C)C ZINC000035544600 170146397 /nfs/dbraw/zinc/14/63/97/170146397.db2.gz LFKHIUFUZKSOKN-GFCCVEGCSA-N 1 0 231.261 3.411 10 0 BGAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)C(C)C ZINC000035544602 170162896 /nfs/dbraw/zinc/16/28/96/170162896.db2.gz LFKHIUFUZKSOKN-LBPRGKRZSA-N 1 0 231.261 3.411 10 0 BGAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000035544875 170146448 /nfs/dbraw/zinc/14/64/48/170146448.db2.gz FBIGWNZRRMWPRP-WIMUKIRHSA-N 1 0 243.272 3.411 10 0 BGAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@@H]1C[C@@H]1C ZINC000035544877 170162899 /nfs/dbraw/zinc/16/28/99/170162899.db2.gz FBIGWNZRRMWPRP-HBSDOPKDSA-N 1 0 243.272 3.411 10 0 BGAERO CC[NH2+][C@@H](c1c(F)cc(F)cc1F)[C@H]1C[C@@H]1C ZINC000035544879 170145919 /nfs/dbraw/zinc/14/59/19/170145919.db2.gz FBIGWNZRRMWPRP-DXVIDONBSA-N 1 0 243.272 3.411 10 0 BGAERO CC[NH2+][C@H](c1c(F)cc(F)cc1F)[C@H]1C[C@@H]1C ZINC000035544881 170162838 /nfs/dbraw/zinc/16/28/38/170162838.db2.gz FBIGWNZRRMWPRP-XICLSFFLSA-N 1 0 243.272 3.411 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@H](C)CC ZINC000035545035 170164069 /nfs/dbraw/zinc/16/40/69/170164069.db2.gz AMNAGIKHZSWRMQ-ABAIWWIYSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)OCCO2)[C@@H](C)CC ZINC000035545037 170164180 /nfs/dbraw/zinc/16/41/80/170164180.db2.gz AMNAGIKHZSWRMQ-NHYWBVRUSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@H](C)CC ZINC000035545039 170148185 /nfs/dbraw/zinc/14/81/85/170148185.db2.gz AMNAGIKHZSWRMQ-IAQYHMDHSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)[C@@H](C)CC ZINC000035545041 170148678 /nfs/dbraw/zinc/14/86/78/170148678.db2.gz AMNAGIKHZSWRMQ-XHDPSFHLSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H](CC(C)C)c1ccc2c(c1)OCCO2 ZINC000035545063 170144389 /nfs/dbraw/zinc/14/43/89/170144389.db2.gz LVZORDVRVLZPMB-ZDUSSCGKSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@H](CC(C)C)c1ccc2c(c1)OCCO2 ZINC000035545065 170160733 /nfs/dbraw/zinc/16/07/33/170160733.db2.gz LVZORDVRVLZPMB-CYBMUJFWSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)o1)c1cccs1 ZINC000035545239 170147888 /nfs/dbraw/zinc/14/78/88/170147888.db2.gz CLVALMCOFLZUEY-LBPRGKRZSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)o1)c1cccs1 ZINC000035545241 170163133 /nfs/dbraw/zinc/16/31/33/170163133.db2.gz CLVALMCOFLZUEY-GFCCVEGCSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@@H](c1ccco1)c1cccs1 ZINC000035545247 170148441 /nfs/dbraw/zinc/14/84/41/170148441.db2.gz IZUYUXQGYMFFJJ-NSHDSACASA-N 1 0 207.298 3.040 10 0 BGAERO CC[NH2+][C@H](c1ccco1)c1cccs1 ZINC000035545249 170164952 /nfs/dbraw/zinc/16/49/52/170164952.db2.gz IZUYUXQGYMFFJJ-LLVKDONJSA-N 1 0 207.298 3.040 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1cccs1 ZINC000035545251 170149037 /nfs/dbraw/zinc/14/90/37/170149037.db2.gz RYDULVPCIMEERT-NSHDSACASA-N 1 0 207.298 3.040 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1cccs1 ZINC000035545252 170164923 /nfs/dbraw/zinc/16/49/23/170164923.db2.gz RYDULVPCIMEERT-LLVKDONJSA-N 1 0 207.298 3.040 10 0 BGAERO CC[NH2+][C@H](c1cccs1)c1ccoc1C ZINC000035545278 170164726 /nfs/dbraw/zinc/16/47/26/170164726.db2.gz PEAGPZHHCAKVQF-LBPRGKRZSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@@H](c1cccs1)c1ccoc1C ZINC000035545280 170148552 /nfs/dbraw/zinc/14/85/52/170148552.db2.gz PEAGPZHHCAKVQF-GFCCVEGCSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@H](c1cccs1)c1cccc(OC)c1 ZINC000035545559 170148545 /nfs/dbraw/zinc/14/85/45/170148545.db2.gz BPTIBZWYLYWYRY-AWEZNQCLSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@@H](c1cccs1)c1cccc(OC)c1 ZINC000035545560 170164109 /nfs/dbraw/zinc/16/41/09/170164109.db2.gz BPTIBZWYLYWYRY-CQSZACIVSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@H](c1cccs1)c1ccccc1OC ZINC000035545590 170164969 /nfs/dbraw/zinc/16/49/69/170164969.db2.gz DRHKDUAZWAOXLQ-AWEZNQCLSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@@H](c1cccs1)c1ccccc1OC ZINC000035545591 170148876 /nfs/dbraw/zinc/14/88/76/170148876.db2.gz DRHKDUAZWAOXLQ-CQSZACIVSA-N 1 0 247.363 3.456 10 0 BGAERO CCC[C@@H]([NH2+]CC)c1ccc(OC)cc1OC ZINC000035546015 169399810 /nfs/dbraw/zinc/39/98/10/169399810.db2.gz QCPHZBOOJWAZDH-CYBMUJFWSA-N 1 0 237.343 3.155 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)C1CCC1 ZINC000035546136 170148861 /nfs/dbraw/zinc/14/88/61/170148861.db2.gz IROLEEQTJRUQJR-OAHLLOKOSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)C1CCC1 ZINC000035546138 170163771 /nfs/dbraw/zinc/16/37/71/170163771.db2.gz IROLEEQTJRUQJR-HNNXBMFYSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)[C@@H]1C[C@@H]1C ZINC000035546143 170148607 /nfs/dbraw/zinc/14/86/07/170148607.db2.gz NVCHBNDYHZNQHE-ZBINZKHDSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)[C@@H]1C[C@@H]1C ZINC000035546146 170164248 /nfs/dbraw/zinc/16/42/48/170164248.db2.gz NVCHBNDYHZNQHE-PSOPSSQASA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1OC)[C@H]1C[C@@H]1C ZINC000035546147 170148414 /nfs/dbraw/zinc/14/84/14/170148414.db2.gz NVCHBNDYHZNQHE-XEGUGMAKSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1OC)[C@H]1C[C@@H]1C ZINC000035546149 170164302 /nfs/dbraw/zinc/16/43/02/170164302.db2.gz NVCHBNDYHZNQHE-VZJVUDMVSA-N 1 0 249.354 3.010 10 0 BGAERO CC[NH2+][C@@H](c1cccnc1)c1cc(C)ccc1C ZINC000035546463 170148263 /nfs/dbraw/zinc/14/82/63/170148263.db2.gz DBBCLNUWURNVRM-INIZCTEOSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@H](c1cccnc1)c1cc(C)ccc1C ZINC000035546465 170165031 /nfs/dbraw/zinc/16/50/31/170165031.db2.gz DBBCLNUWURNVRM-MRXNPFEDSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)ccc1C)[C@@H]1CCCO1 ZINC000035546626 170147036 /nfs/dbraw/zinc/14/70/36/170147036.db2.gz MUDPVBUPFKNIMJ-GJZGRUSLSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@H](c1cc(C)ccc1C)[C@@H]1CCCO1 ZINC000035546628 170163506 /nfs/dbraw/zinc/16/35/06/170163506.db2.gz MUDPVBUPFKNIMJ-LSDHHAIUSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)ccc1C)[C@H]1CCCO1 ZINC000035546630 170147930 /nfs/dbraw/zinc/14/79/30/170147930.db2.gz MUDPVBUPFKNIMJ-CABCVRRESA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@H](c1cc(C)ccc1C)[C@H]1CCCO1 ZINC000035546632 170163424 /nfs/dbraw/zinc/16/34/24/170163424.db2.gz MUDPVBUPFKNIMJ-HUUCEWRRSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@@H]1CCCO1 ZINC000035547901 170146806 /nfs/dbraw/zinc/14/68/06/170146806.db2.gz NKJIVYOEEZLABA-GOEBONIOSA-N 1 0 247.382 3.441 10 0 BGAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)[C@@H]1CCCO1 ZINC000035547903 170162835 /nfs/dbraw/zinc/16/28/35/170162835.db2.gz NKJIVYOEEZLABA-HOCLYGCPSA-N 1 0 247.382 3.441 10 0 BGAERO CC[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@H]1CCCO1 ZINC000035547905 170146037 /nfs/dbraw/zinc/14/60/37/170146037.db2.gz NKJIVYOEEZLABA-GDBMZVCRSA-N 1 0 247.382 3.441 10 0 BGAERO CC[NH2+][C@H](c1c(C)cc(C)cc1C)[C@H]1CCCO1 ZINC000035547907 170163286 /nfs/dbraw/zinc/16/32/86/170163286.db2.gz NKJIVYOEEZLABA-ZBFHGGJFSA-N 1 0 247.382 3.441 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc(F)c(F)c1 ZINC000035548588 170164639 /nfs/dbraw/zinc/16/46/39/170164639.db2.gz OXNRMKHTMGHSLZ-ZDUSSCGKSA-N 1 0 237.249 3.257 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(F)c(F)c1 ZINC000035548591 170149903 /nfs/dbraw/zinc/14/99/03/170149903.db2.gz OXNRMKHTMGHSLZ-CYBMUJFWSA-N 1 0 237.249 3.257 10 0 BGAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H]1CCCO1 ZINC000035549638 170148015 /nfs/dbraw/zinc/14/80/15/170148015.db2.gz BSBMNZIHHBXDTC-GJZGRUSLSA-N 1 0 233.355 3.079 10 0 BGAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@@H]1CCCO1 ZINC000035549641 170162971 /nfs/dbraw/zinc/16/29/71/170162971.db2.gz BSBMNZIHHBXDTC-LSDHHAIUSA-N 1 0 233.355 3.079 10 0 BGAERO CC[NH2+][C@@H](c1ccc(CC)cc1)[C@H]1CCCO1 ZINC000035549643 170147175 /nfs/dbraw/zinc/14/71/75/170147175.db2.gz BSBMNZIHHBXDTC-CABCVRRESA-N 1 0 233.355 3.079 10 0 BGAERO CC[NH2+][C@H](c1ccc(CC)cc1)[C@H]1CCCO1 ZINC000035549646 170163414 /nfs/dbraw/zinc/16/34/14/170163414.db2.gz BSBMNZIHHBXDTC-HUUCEWRRSA-N 1 0 233.355 3.079 10 0 BGAERO CCCc1ccc([C@@H]([NH2+]CC)[C@@H]2CCCO2)cc1 ZINC000035550579 169573617 /nfs/dbraw/zinc/57/36/17/169573617.db2.gz BCXJWYBJACKNGE-JKSUJKDBSA-N 1 0 247.382 3.469 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc2c(c1)CCC2 ZINC000035551186 170164694 /nfs/dbraw/zinc/16/46/94/170164694.db2.gz POOFVKFUOZZQJC-INIZCTEOSA-N 1 0 241.334 3.467 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc2c(c1)CCC2 ZINC000035551189 170150040 /nfs/dbraw/zinc/15/00/40/170150040.db2.gz POOFVKFUOZZQJC-MRXNPFEDSA-N 1 0 241.334 3.467 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000035551566 170148372 /nfs/dbraw/zinc/14/83/72/170148372.db2.gz LPEMJUHHSYTMCX-HOTGVXAUSA-N 1 0 245.366 3.005 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@@H]1CCCO1 ZINC000035551569 170164329 /nfs/dbraw/zinc/16/43/29/170164329.db2.gz LPEMJUHHSYTMCX-JKSUJKDBSA-N 1 0 245.366 3.005 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000035551572 170148874 /nfs/dbraw/zinc/14/88/74/170148874.db2.gz LPEMJUHHSYTMCX-CVEARBPZSA-N 1 0 245.366 3.005 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@H]1CCCO1 ZINC000035551574 170163884 /nfs/dbraw/zinc/16/38/84/170163884.db2.gz LPEMJUHHSYTMCX-HZPDHXFCSA-N 1 0 245.366 3.005 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@@H]1C[C@@H]1C ZINC000035551654 170148727 /nfs/dbraw/zinc/14/87/27/170148727.db2.gz LFCOBCYAVVGNPF-XZJROXQQSA-N 1 0 229.367 3.482 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@@H]1C[C@@H]1C ZINC000035551657 170163980 /nfs/dbraw/zinc/16/39/80/170163980.db2.gz LFCOBCYAVVGNPF-IUIKQTSFSA-N 1 0 229.367 3.482 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCC2)[C@H]1C[C@@H]1C ZINC000035551660 170148409 /nfs/dbraw/zinc/14/84/09/170148409.db2.gz LFCOBCYAVVGNPF-UVBJJODRSA-N 1 0 229.367 3.482 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCC2)[C@H]1C[C@@H]1C ZINC000035551663 170163979 /nfs/dbraw/zinc/16/39/79/170163979.db2.gz LFCOBCYAVVGNPF-KNXALSJPSA-N 1 0 229.367 3.482 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)sc1C)C1CC1 ZINC000035552456 170147846 /nfs/dbraw/zinc/14/78/46/170147846.db2.gz CWAIGVPNEYGEBA-GFCCVEGCSA-N 1 0 209.358 3.426 10 0 BGAERO CC[NH2+][C@H](c1cc(C)sc1C)C1CC1 ZINC000035552460 170163074 /nfs/dbraw/zinc/16/30/74/170163074.db2.gz CWAIGVPNEYGEBA-LBPRGKRZSA-N 1 0 209.358 3.426 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)sc1C)[C@@H]1CCCO1 ZINC000035552516 170148006 /nfs/dbraw/zinc/14/80/06/170148006.db2.gz VYXYUWIRAPRDGZ-STQMWFEESA-N 1 0 239.384 3.195 10 0 BGAERO CC[NH2+][C@H](c1cc(C)sc1C)[C@@H]1CCCO1 ZINC000035552520 170163614 /nfs/dbraw/zinc/16/36/14/170163614.db2.gz VYXYUWIRAPRDGZ-QWHCGFSZSA-N 1 0 239.384 3.195 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)sc1C)[C@H]1CCCO1 ZINC000035552523 170147628 /nfs/dbraw/zinc/14/76/28/170147628.db2.gz VYXYUWIRAPRDGZ-OLZOCXBDSA-N 1 0 239.384 3.195 10 0 BGAERO CC[NH2+][C@H](c1cc(C)sc1C)[C@H]1CCCO1 ZINC000035552527 170163491 /nfs/dbraw/zinc/16/34/91/170163491.db2.gz VYXYUWIRAPRDGZ-CHWSQXEVSA-N 1 0 239.384 3.195 10 0 BGAERO CC[NH2+][C@@H](c1ccc(Cl)s1)C1CC1 ZINC000035553400 170147680 /nfs/dbraw/zinc/14/76/80/170147680.db2.gz RZOIZFJDCKXMFN-SNVBAGLBSA-N 1 0 215.749 3.462 10 0 BGAERO CC[NH2+][C@H](c1ccc(Cl)s1)C1CC1 ZINC000035553404 170164153 /nfs/dbraw/zinc/16/41/53/170164153.db2.gz RZOIZFJDCKXMFN-JTQLQIEISA-N 1 0 215.749 3.462 10 0 BGAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000035553461 170147231 /nfs/dbraw/zinc/14/72/31/170147231.db2.gz UEVPXFGXMKJGHR-GZMMTYOYSA-N 1 0 245.775 3.231 10 0 BGAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1CCCO1 ZINC000035553465 170164234 /nfs/dbraw/zinc/16/42/34/170164234.db2.gz UEVPXFGXMKJGHR-KWQFWETISA-N 1 0 245.775 3.231 10 0 BGAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000035553469 170147989 /nfs/dbraw/zinc/14/79/89/170147989.db2.gz UEVPXFGXMKJGHR-LDYMZIIASA-N 1 0 245.775 3.231 10 0 BGAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CCCO1 ZINC000035553473 170164266 /nfs/dbraw/zinc/16/42/66/170164266.db2.gz UEVPXFGXMKJGHR-KCJUWKMLSA-N 1 0 245.775 3.231 10 0 BGAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)C1CCC1 ZINC000035554773 170147563 /nfs/dbraw/zinc/14/75/63/170147563.db2.gz LMMRBOKGHYDOHZ-CQSZACIVSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@H](c1cc(F)ccc1OC)C1CCC1 ZINC000035554776 170163072 /nfs/dbraw/zinc/16/30/72/170163072.db2.gz LMMRBOKGHYDOHZ-AWEZNQCLSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035554790 170146993 /nfs/dbraw/zinc/14/69/93/170146993.db2.gz IGVLDYYRHBVOIV-DRCTWCGVSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@H](c1cc(F)ccc1OC)[C@@H]1C[C@@H]1C ZINC000035554793 170163043 /nfs/dbraw/zinc/16/30/43/170163043.db2.gz IGVLDYYRHBVOIV-PXWWUCIGSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@@H](c1cc(F)ccc1OC)[C@H]1C[C@@H]1C ZINC000035554796 170147709 /nfs/dbraw/zinc/14/77/09/170147709.db2.gz IGVLDYYRHBVOIV-NURSFMCSSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@H](c1cc(F)ccc1OC)[C@H]1C[C@@H]1C ZINC000035554799 170162907 /nfs/dbraw/zinc/16/29/07/170162907.db2.gz IGVLDYYRHBVOIV-CHIMOYNISA-N 1 0 237.318 3.141 10 0 BGAERO CCCC[C@H](CC)[C@@H](Cc1ncc[nH]1)[NH2+]CC ZINC000035570105 169001251 /nfs/dbraw/zinc/00/12/51/169001251.db2.gz WVJXIUSHDXKJSU-QWHCGFSZSA-N 1 0 237.391 3.147 10 0 BGAERO CCCC[C@@H](CC)[C@H](Cc1ncc[nH]1)[NH2+]CC ZINC000035570107 168961000 /nfs/dbraw/zinc/96/10/00/168961000.db2.gz WVJXIUSHDXKJSU-OLZOCXBDSA-N 1 0 237.391 3.147 10 0 BGAERO CCCC[C@H](CC)[C@H](Cc1ncc[nH]1)[NH2+]CC ZINC000035570109 169000546 /nfs/dbraw/zinc/00/05/46/169000546.db2.gz WVJXIUSHDXKJSU-STQMWFEESA-N 1 0 237.391 3.147 10 0 BGAERO CC[NH2+][C@@H](CCC1CCCCC1)Cc1ncc[nH]1 ZINC000035570274 170144822 /nfs/dbraw/zinc/14/48/22/170144822.db2.gz DXRDCEDFJCIGCY-AWEZNQCLSA-N 1 0 249.402 3.291 10 0 BGAERO CC[NH2+][C@H](CCC1CCCCC1)Cc1ncc[nH]1 ZINC000035570276 170161874 /nfs/dbraw/zinc/16/18/74/170161874.db2.gz DXRDCEDFJCIGCY-CQSZACIVSA-N 1 0 249.402 3.291 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC000035570928 170148236 /nfs/dbraw/zinc/14/82/36/170148236.db2.gz WSHMYWUTKHAOOE-ZUZCIYMTSA-N 1 0 231.339 3.071 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC000035570931 170164364 /nfs/dbraw/zinc/16/43/64/170164364.db2.gz WSHMYWUTKHAOOE-BONVTDFDSA-N 1 0 231.339 3.071 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)C[C@@H](C)O2)C1CC1 ZINC000035570933 170148404 /nfs/dbraw/zinc/14/84/04/170148404.db2.gz WSHMYWUTKHAOOE-MEBBXXQBSA-N 1 0 231.339 3.071 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)C1CC1 ZINC000035570935 170163924 /nfs/dbraw/zinc/16/39/24/170163924.db2.gz WSHMYWUTKHAOOE-BMIGLBTASA-N 1 0 231.339 3.071 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)C1CCC1 ZINC000035571058 170148548 /nfs/dbraw/zinc/14/85/48/170148548.db2.gz ILLRJDPTCKJYCN-MEDUHNTESA-N 1 0 245.366 3.461 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)C1CCC1 ZINC000035571061 170163997 /nfs/dbraw/zinc/16/39/97/170163997.db2.gz ILLRJDPTCKJYCN-ZBEGNZNMSA-N 1 0 245.366 3.461 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)C[C@@H](C)O2)C1CCC1 ZINC000035571063 170148601 /nfs/dbraw/zinc/14/86/01/170148601.db2.gz ILLRJDPTCKJYCN-BDJLRTHQSA-N 1 0 245.366 3.461 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)C1CCC1 ZINC000035571065 170164363 /nfs/dbraw/zinc/16/43/63/170164363.db2.gz ILLRJDPTCKJYCN-BZNIZROVSA-N 1 0 245.366 3.461 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1C[C@@H]1C ZINC000035571075 170148447 /nfs/dbraw/zinc/14/84/47/170148447.db2.gz SHUZPNIZAXPCNX-WYURAEBNSA-N 1 0 245.366 3.317 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)[C@@H]1C[C@@H]1C ZINC000035571077 170164352 /nfs/dbraw/zinc/16/43/52/170164352.db2.gz SHUZPNIZAXPCNX-FNNPODNZSA-N 1 0 245.366 3.317 10 0 BGAERO CC[NH2+][C@H](c1ccco1)c1ccc(OC)c(C)c1 ZINC000035571324 170147718 /nfs/dbraw/zinc/14/77/18/170147718.db2.gz SQRKWDUIKVTVIH-HNNXBMFYSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1ccco1)c1ccc(OC)c(C)c1 ZINC000035571326 170164026 /nfs/dbraw/zinc/16/40/26/170164026.db2.gz SQRKWDUIKVTVIH-OAHLLOKOSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc(OC)c(C)c1 ZINC000035571328 170165161 /nfs/dbraw/zinc/16/51/61/170165161.db2.gz PJAMBAMSMYMZRO-HNNXBMFYSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(OC)c(C)c1 ZINC000035571330 170149691 /nfs/dbraw/zinc/14/96/91/170149691.db2.gz PJAMBAMSMYMZRO-OAHLLOKOSA-N 1 0 245.322 3.296 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)C1CCC1 ZINC000035571682 170147390 /nfs/dbraw/zinc/14/73/90/170147390.db2.gz DQVQGFUQRGZABX-OAHLLOKOSA-N 1 0 233.355 3.454 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)C1CCC1 ZINC000035571684 170164164 /nfs/dbraw/zinc/16/41/64/170164164.db2.gz DQVQGFUQRGZABX-HNNXBMFYSA-N 1 0 233.355 3.454 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@@H]1C[C@@H]1C ZINC000035571694 170148030 /nfs/dbraw/zinc/14/80/30/170148030.db2.gz KYOSJNANKYKDNT-ZBINZKHDSA-N 1 0 233.355 3.310 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@@H]1C[C@@H]1C ZINC000035571696 170164070 /nfs/dbraw/zinc/16/40/70/170164070.db2.gz KYOSJNANKYKDNT-PSOPSSQASA-N 1 0 233.355 3.310 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(C)c1)[C@H]1C[C@@H]1C ZINC000035571698 170146984 /nfs/dbraw/zinc/14/69/84/170146984.db2.gz KYOSJNANKYKDNT-XEGUGMAKSA-N 1 0 233.355 3.310 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(C)c1)[C@H]1C[C@@H]1C ZINC000035571700 170164152 /nfs/dbraw/zinc/16/41/52/170164152.db2.gz KYOSJNANKYKDNT-VZJVUDMVSA-N 1 0 233.355 3.310 10 0 BGAERO CC[NH2+][C@H](c1ccco1)c1ccc(OC)c(F)c1 ZINC000035572040 170146986 /nfs/dbraw/zinc/14/69/86/170146986.db2.gz NAZMTWMHAJNXJZ-AWEZNQCLSA-N 1 0 249.285 3.126 10 0 BGAERO CC[NH2+][C@@H](c1ccco1)c1ccc(OC)c(F)c1 ZINC000035572042 170164325 /nfs/dbraw/zinc/16/43/25/170164325.db2.gz NAZMTWMHAJNXJZ-CQSZACIVSA-N 1 0 249.285 3.126 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc(OC)c(F)c1 ZINC000035572044 170164746 /nfs/dbraw/zinc/16/47/46/170164746.db2.gz NNDAFADNDUVEEP-AWEZNQCLSA-N 1 0 249.285 3.126 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(OC)c(F)c1 ZINC000035572046 170149835 /nfs/dbraw/zinc/14/98/35/170149835.db2.gz NNDAFADNDUVEEP-CQSZACIVSA-N 1 0 249.285 3.126 10 0 BGAERO CC(C)[C@H]([NH3+])c1cccc(Br)c1 ZINC000035572047 383863076 /nfs/dbraw/zinc/86/30/76/383863076.db2.gz SBSTZQZPZYZLKE-JTQLQIEISA-N 1 0 228.133 3.105 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000035572049 167423294 /nfs/dbraw/zinc/42/32/94/167423294.db2.gz SBSTZQZPZYZLKE-SNVBAGLBSA-N 1 0 228.133 3.105 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)C1CCC1 ZINC000035572391 170147884 /nfs/dbraw/zinc/14/78/84/170147884.db2.gz VUEOOAJCZQRHNV-CQSZACIVSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(F)c1)C1CCC1 ZINC000035572394 170164216 /nfs/dbraw/zinc/16/42/16/170164216.db2.gz VUEOOAJCZQRHNV-AWEZNQCLSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@@H]1C[C@@H]1C ZINC000035572404 170147740 /nfs/dbraw/zinc/14/77/40/170147740.db2.gz DZUQATWPXCZSCT-PXWWUCIGSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@@H]1C[C@@H]1C ZINC000035572406 170164074 /nfs/dbraw/zinc/16/40/74/170164074.db2.gz DZUQATWPXCZSCT-DRCTWCGVSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)c(F)c1)[C@H]1C[C@@H]1C ZINC000035572408 170147336 /nfs/dbraw/zinc/14/73/36/170147336.db2.gz DZUQATWPXCZSCT-CHIMOYNISA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)c(F)c1)[C@H]1C[C@@H]1C ZINC000035572410 170164233 /nfs/dbraw/zinc/16/42/33/170164233.db2.gz DZUQATWPXCZSCT-NURSFMCSSA-N 1 0 237.318 3.141 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(OC)c(OC)c1)C1CC1 ZINC000035574615 169280870 /nfs/dbraw/zinc/28/08/70/169280870.db2.gz JXMFDQXZEHUNEH-OAHLLOKOSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[NH2+][C@H](c1ccc(OC)c(OC)c1)C1CC1 ZINC000035574616 169290240 /nfs/dbraw/zinc/29/02/40/169290240.db2.gz JXMFDQXZEHUNEH-HNNXBMFYSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000035574970 169280873 /nfs/dbraw/zinc/28/08/73/169280873.db2.gz ATBXAGPSMAUNEQ-KBPBESRZSA-N 1 0 237.318 3.045 10 0 BGAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@@H]1CCCO1 ZINC000035574971 169289748 /nfs/dbraw/zinc/28/97/48/169289748.db2.gz ATBXAGPSMAUNEQ-UONOGXRCSA-N 1 0 237.318 3.045 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000035574973 169280178 /nfs/dbraw/zinc/28/01/78/169280178.db2.gz ATBXAGPSMAUNEQ-KGLIPLIRSA-N 1 0 237.318 3.045 10 0 BGAERO CCC[NH2+][C@H](c1ccc(F)cc1)[C@H]1CCCO1 ZINC000035574974 169289683 /nfs/dbraw/zinc/28/96/83/169289683.db2.gz ATBXAGPSMAUNEQ-ZIAGYGMSSA-N 1 0 237.318 3.045 10 0 BGAERO CCC[NH2+][C@H](c1ccoc1)c1ccc(OC)cc1 ZINC000035576239 169280259 /nfs/dbraw/zinc/28/02/59/169280259.db2.gz ZGSNATWKDJOXTO-HNNXBMFYSA-N 1 0 245.322 3.377 10 0 BGAERO CCC[NH2+][C@@H](c1ccoc1)c1ccc(OC)cc1 ZINC000035576240 169289584 /nfs/dbraw/zinc/28/95/84/169289584.db2.gz ZGSNATWKDJOXTO-OAHLLOKOSA-N 1 0 245.322 3.377 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@@H]1C[C@@H]1C ZINC000035576708 169281116 /nfs/dbraw/zinc/28/11/16/169281116.db2.gz JLKHKBBHIWQFBO-GLQYFDAESA-N 1 0 233.355 3.392 10 0 BGAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@@H]1C[C@@H]1C ZINC000035576710 169289936 /nfs/dbraw/zinc/28/99/36/169289936.db2.gz JLKHKBBHIWQFBO-NILFDRSVSA-N 1 0 233.355 3.392 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(OC)cc1)[C@H]1C[C@@H]1C ZINC000035576712 169280349 /nfs/dbraw/zinc/28/03/49/169280349.db2.gz JLKHKBBHIWQFBO-CQDKDKBSSA-N 1 0 233.355 3.392 10 0 BGAERO CCC[NH2+][C@H](c1ccc(OC)cc1)[C@H]1C[C@@H]1C ZINC000035576715 169289619 /nfs/dbraw/zinc/28/96/19/169289619.db2.gz JLKHKBBHIWQFBO-TUKIKUTGSA-N 1 0 233.355 3.392 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000035577262 169279724 /nfs/dbraw/zinc/27/97/24/169279724.db2.gz UPFJFEWBOMKGAL-GJZGRUSLSA-N 1 0 233.355 3.215 10 0 BGAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@@H]1CCCO1 ZINC000035577265 169290156 /nfs/dbraw/zinc/29/01/56/169290156.db2.gz UPFJFEWBOMKGAL-LSDHHAIUSA-N 1 0 233.355 3.215 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(C)cc1)[C@H]1CCCO1 ZINC000035577268 169279733 /nfs/dbraw/zinc/27/97/33/169279733.db2.gz UPFJFEWBOMKGAL-CABCVRRESA-N 1 0 233.355 3.215 10 0 BGAERO CCC[NH2+][C@H](c1ccc(C)cc1)[C@H]1CCCO1 ZINC000035577271 169289970 /nfs/dbraw/zinc/28/99/70/169289970.db2.gz UPFJFEWBOMKGAL-HUUCEWRRSA-N 1 0 233.355 3.215 10 0 BGAERO CCC[NH2+][C@@H](c1cc(OC)ccc1OC)C1CC1 ZINC000035577888 169278926 /nfs/dbraw/zinc/27/89/26/169278926.db2.gz NXPLGVLJWSMHEX-OAHLLOKOSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[NH2+][C@H](c1cc(OC)ccc1OC)C1CC1 ZINC000035577892 169289707 /nfs/dbraw/zinc/28/97/07/169289707.db2.gz NXPLGVLJWSMHEX-HNNXBMFYSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[NH2+][C@@H](CC)c1ccc(CCOC)cc1 ZINC000035578786 169278596 /nfs/dbraw/zinc/27/85/96/169278596.db2.gz GUXTXDSRMHUVBM-HNNXBMFYSA-N 1 0 235.371 3.326 10 0 BGAERO CCC[NH2+][C@H](CC)c1ccc(CCOC)cc1 ZINC000035578788 169288486 /nfs/dbraw/zinc/28/84/86/169288486.db2.gz GUXTXDSRMHUVBM-OAHLLOKOSA-N 1 0 235.371 3.326 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)C(C)C ZINC000035579160 169280372 /nfs/dbraw/zinc/28/03/72/169280372.db2.gz NBKJEYSWQQSNKX-OAHLLOKOSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)C(C)C ZINC000035579163 169290209 /nfs/dbraw/zinc/29/02/09/169290209.db2.gz NBKJEYSWQQSNKX-HNNXBMFYSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)C1CC1 ZINC000035579292 169280181 /nfs/dbraw/zinc/28/01/81/169280181.db2.gz XCOUTJJWIHYFBK-OAHLLOKOSA-N 1 0 231.339 3.072 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)C1CC1 ZINC000035579296 169290093 /nfs/dbraw/zinc/29/00/93/169290093.db2.gz XCOUTJJWIHYFBK-HNNXBMFYSA-N 1 0 231.339 3.072 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)C1CCC1 ZINC000035579363 169280388 /nfs/dbraw/zinc/28/03/88/169280388.db2.gz KGYWWBOVYKBTPJ-MRXNPFEDSA-N 1 0 245.366 3.462 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)C1CCC1 ZINC000035579366 169289569 /nfs/dbraw/zinc/28/95/69/169289569.db2.gz KGYWWBOVYKBTPJ-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@@H]1C[C@@H]1C ZINC000035579373 169281231 /nfs/dbraw/zinc/28/12/31/169281231.db2.gz BRTKTDCPSZOTCT-PEYYIBSZSA-N 1 0 245.366 3.318 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@@H]1C[C@@H]1C ZINC000035579375 169289954 /nfs/dbraw/zinc/28/99/54/169289954.db2.gz BRTKTDCPSZOTCT-SGIREYDYSA-N 1 0 245.366 3.318 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H]1C ZINC000035579377 169280566 /nfs/dbraw/zinc/28/05/66/169280566.db2.gz BRTKTDCPSZOTCT-PJODQICGSA-N 1 0 245.366 3.318 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H]1C ZINC000035579379 169289711 /nfs/dbraw/zinc/28/97/11/169289711.db2.gz BRTKTDCPSZOTCT-HZUKXOBISA-N 1 0 245.366 3.318 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(OC)cc1C)C1CC1 ZINC000035579931 169280682 /nfs/dbraw/zinc/28/06/82/169280682.db2.gz LOHYGLJIQSWIKQ-OAHLLOKOSA-N 1 0 233.355 3.454 10 0 BGAERO CCC[NH2+][C@H](c1ccc(OC)cc1C)C1CC1 ZINC000035579933 169290226 /nfs/dbraw/zinc/29/02/26/169290226.db2.gz LOHYGLJIQSWIKQ-HNNXBMFYSA-N 1 0 233.355 3.454 10 0 BGAERO CCC[NH2+][C@@H](CCC)c1ccc2c(c1)OCCO2 ZINC000035580991 169278339 /nfs/dbraw/zinc/27/83/39/169278339.db2.gz YGXOINRSIMWCOR-ZDUSSCGKSA-N 1 0 249.354 3.299 10 0 BGAERO CCC[NH2+][C@H](CCC)c1ccc2c(c1)OCCO2 ZINC000035580993 169289450 /nfs/dbraw/zinc/28/94/50/169289450.db2.gz YGXOINRSIMWCOR-CYBMUJFWSA-N 1 0 249.354 3.299 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(OC)cc1OC)C1CC1 ZINC000035581477 169280732 /nfs/dbraw/zinc/28/07/32/169280732.db2.gz OIZVXNJCEOOPJT-OAHLLOKOSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[NH2+][C@H](c1ccc(OC)cc1OC)C1CC1 ZINC000035581478 169289706 /nfs/dbraw/zinc/28/97/06/169289706.db2.gz OIZVXNJCEOOPJT-HNNXBMFYSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[NH2+][C@@H](CC)c1ccc2c(c1)CCC(=O)N2 ZINC000035581738 169277873 /nfs/dbraw/zinc/27/78/73/169277873.db2.gz IKUUXSCHPNPHRA-ZDUSSCGKSA-N 1 0 246.354 3.022 10 0 BGAERO CCC[NH2+][C@H](CC)c1ccc2c(c1)CCC(=O)N2 ZINC000035581739 169288511 /nfs/dbraw/zinc/28/85/11/169288511.db2.gz IKUUXSCHPNPHRA-CYBMUJFWSA-N 1 0 246.354 3.022 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@@H]1CCCO1 ZINC000035582656 169280241 /nfs/dbraw/zinc/28/02/41/169280241.db2.gz BZACUWTWJZMGKP-HOTGVXAUSA-N 1 0 247.382 3.469 10 0 BGAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@@H]1CCCO1 ZINC000035582657 169289599 /nfs/dbraw/zinc/28/95/99/169289599.db2.gz BZACUWTWJZMGKP-JKSUJKDBSA-N 1 0 247.382 3.469 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(CC)cc1)[C@H]1CCCO1 ZINC000035582658 169281066 /nfs/dbraw/zinc/28/10/66/169281066.db2.gz BZACUWTWJZMGKP-CVEARBPZSA-N 1 0 247.382 3.469 10 0 BGAERO CCC[NH2+][C@H](c1ccc(CC)cc1)[C@H]1CCCO1 ZINC000035582659 169290208 /nfs/dbraw/zinc/29/02/08/169290208.db2.gz BZACUWTWJZMGKP-HZPDHXFCSA-N 1 0 247.382 3.469 10 0 BGAERO CCC[NH2+][C@@H](c1cc(F)ccc1OC)C1CC1 ZINC000035583920 169279347 /nfs/dbraw/zinc/27/93/47/169279347.db2.gz DNIBUNVSXCTKLU-CQSZACIVSA-N 1 0 237.318 3.285 10 0 BGAERO CCC[NH2+][C@H](c1cc(F)ccc1OC)C1CC1 ZINC000035583921 169289639 /nfs/dbraw/zinc/28/96/39/169289639.db2.gz DNIBUNVSXCTKLU-AWEZNQCLSA-N 1 0 237.318 3.285 10 0 BGAERO CCC[NH2+][C@@H](c1cnn(C)c1)C1CCCCC1 ZINC000035584266 169280441 /nfs/dbraw/zinc/28/04/41/169280441.db2.gz WEAGZLVRQRILBC-CQSZACIVSA-N 1 0 235.375 3.041 10 0 BGAERO CCC[NH2+][C@H](c1cnn(C)c1)C1CCCCC1 ZINC000035584267 169290682 /nfs/dbraw/zinc/29/06/82/169290682.db2.gz WEAGZLVRQRILBC-AWEZNQCLSA-N 1 0 235.375 3.041 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccc2c(c1)CCCC(=O)N2 ZINC000035586222 169276886 /nfs/dbraw/zinc/27/68/86/169276886.db2.gz OHAGSMQHAZLQGF-NSHDSACASA-N 1 0 246.354 3.022 10 0 BGAERO CCC[NH2+][C@H](C)c1ccc2c(c1)CCCC(=O)N2 ZINC000035586224 169286940 /nfs/dbraw/zinc/28/69/40/169286940.db2.gz OHAGSMQHAZLQGF-LLVKDONJSA-N 1 0 246.354 3.022 10 0 BGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1sccc1C ZINC000035586278 169279764 /nfs/dbraw/zinc/27/97/64/169279764.db2.gz FVUDUTAZPSXEES-NSHDSACASA-N 1 0 249.383 3.063 10 0 BGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1sccc1C ZINC000035586280 169289699 /nfs/dbraw/zinc/28/96/99/169289699.db2.gz FVUDUTAZPSXEES-LLVKDONJSA-N 1 0 249.383 3.063 10 0 BGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(C)s1 ZINC000035586282 169279804 /nfs/dbraw/zinc/27/98/04/169279804.db2.gz MUYVBGXTVFMKBH-NSHDSACASA-N 1 0 249.383 3.063 10 0 BGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(C)s1 ZINC000035586283 169289547 /nfs/dbraw/zinc/28/95/47/169289547.db2.gz MUYVBGXTVFMKBH-LLVKDONJSA-N 1 0 249.383 3.063 10 0 BGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)CC1CCCCC1 ZINC000035586424 169279824 /nfs/dbraw/zinc/27/98/24/169279824.db2.gz IXTWQDOZNKCKPT-CQSZACIVSA-N 1 0 249.402 3.291 10 0 BGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)CC1CCCCC1 ZINC000035586426 169290099 /nfs/dbraw/zinc/29/00/99/169290099.db2.gz IXTWQDOZNKCKPT-AWEZNQCLSA-N 1 0 249.402 3.291 10 0 BGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1cccc(C)c1 ZINC000035586589 169278865 /nfs/dbraw/zinc/27/88/65/169278865.db2.gz WEUWSYIOVHZURL-AWEZNQCLSA-N 1 0 243.354 3.002 10 0 BGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1cccc(C)c1 ZINC000035586590 169289731 /nfs/dbraw/zinc/28/97/31/169289731.db2.gz WEUWSYIOVHZURL-CQSZACIVSA-N 1 0 243.354 3.002 10 0 BGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccccc1C ZINC000035586623 169279091 /nfs/dbraw/zinc/27/90/91/169279091.db2.gz NZUIPAMFTFNJBG-AWEZNQCLSA-N 1 0 243.354 3.002 10 0 BGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccccc1C ZINC000035586624 169289632 /nfs/dbraw/zinc/28/96/32/169289632.db2.gz NZUIPAMFTFNJBG-CQSZACIVSA-N 1 0 243.354 3.002 10 0 BGAERO CCC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc(C)cc1 ZINC000035586641 169279067 /nfs/dbraw/zinc/27/90/67/169279067.db2.gz IJTSVSRKRODJOT-AWEZNQCLSA-N 1 0 243.354 3.002 10 0 BGAERO CCC[NH2+][C@H](Cc1ncc[nH]1)c1ccc(C)cc1 ZINC000035586642 169289917 /nfs/dbraw/zinc/28/99/17/169289917.db2.gz IJTSVSRKRODJOT-CQSZACIVSA-N 1 0 243.354 3.002 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC000035586779 169280638 /nfs/dbraw/zinc/28/06/38/169280638.db2.gz GKIHKPNNHBFHGZ-MEDUHNTESA-N 1 0 245.366 3.461 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)C[C@H](C)O2)C1CC1 ZINC000035586780 169290729 /nfs/dbraw/zinc/29/07/29/169290729.db2.gz GKIHKPNNHBFHGZ-ZBEGNZNMSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)C[C@@H](C)O2)C1CC1 ZINC000035586781 169280623 /nfs/dbraw/zinc/28/06/23/169280623.db2.gz GKIHKPNNHBFHGZ-BDJLRTHQSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)C[C@@H](C)O2)C1CC1 ZINC000035586782 169290864 /nfs/dbraw/zinc/29/08/64/169290864.db2.gz GKIHKPNNHBFHGZ-BZNIZROVSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(OC)c(C)c1)C1CC1 ZINC000035586973 169281205 /nfs/dbraw/zinc/28/12/05/169281205.db2.gz LYYPQKQHCUTALJ-OAHLLOKOSA-N 1 0 233.355 3.454 10 0 BGAERO CCC[NH2+][C@H](c1ccc(OC)c(C)c1)C1CC1 ZINC000035586974 169289628 /nfs/dbraw/zinc/28/96/28/169289628.db2.gz LYYPQKQHCUTALJ-HNNXBMFYSA-N 1 0 233.355 3.454 10 0 BGAERO CCC[NH2+][C@@H](c1ccc(OC)c(F)c1)C1CC1 ZINC000035598536 169280320 /nfs/dbraw/zinc/28/03/20/169280320.db2.gz QRGHVPUJIRYIDH-CQSZACIVSA-N 1 0 237.318 3.285 10 0 BGAERO CCC[NH2+][C@H](c1ccc(OC)c(F)c1)C1CC1 ZINC000035598537 169290142 /nfs/dbraw/zinc/29/01/42/169290142.db2.gz QRGHVPUJIRYIDH-AWEZNQCLSA-N 1 0 237.318 3.285 10 0 BGAERO CCc1c2ccccc2oc1[C@@H]1C[NH2+]CCCO1 ZINC000035598749 171745109 /nfs/dbraw/zinc/74/51/09/171745109.db2.gz ADGVSKIDUYXIHZ-AWEZNQCLSA-N 1 0 245.322 3.046 10 0 BGAERO CC(C)(C)c1ccc([C@@H]2C[NH2+]CCCO2)cc1 ZINC000035598787 188111649 /nfs/dbraw/zinc/11/16/49/188111649.db2.gz OCRZSEMVHLABRO-AWEZNQCLSA-N 1 0 233.355 3.035 10 0 BGAERO C[NH2+][C@@H](C)c1cc(C)ccc1OCC(C)C ZINC000035629489 173417782 /nfs/dbraw/zinc/41/77/82/173417782.db2.gz BKHUOQKCRJQKMJ-LBPRGKRZSA-N 1 0 221.344 3.310 10 0 BGAERO C[NH2+][C@@H](C)c1cc(C)ccc1OCC(F)(F)F ZINC000035629617 173418310 /nfs/dbraw/zinc/41/83/10/173418310.db2.gz IXFJJTFWCNECEX-VIFPVBQESA-N 1 0 247.260 3.217 10 0 BGAERO CC[C@H](C)Oc1ccc2ccccc2c1C[NH3+] ZINC000035630587 171355906 /nfs/dbraw/zinc/35/59/06/171355906.db2.gz OVFOMVKSCFNNDS-NSHDSACASA-N 1 0 229.323 3.476 10 0 BGAERO CCCCCC(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035634876 168641896 /nfs/dbraw/zinc/64/18/96/168641896.db2.gz VRWAXLLNLMJFFN-GFCCVEGCSA-N 1 0 248.370 3.486 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035634886 169353474 /nfs/dbraw/zinc/35/34/74/169353474.db2.gz POEWKMSIDLHJNO-VXGBXAGGSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[C@H](C)C(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035634887 169474722 /nfs/dbraw/zinc/47/47/22/169474722.db2.gz POEWKMSIDLHJNO-NWDGAFQWSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000035634888 169353537 /nfs/dbraw/zinc/35/35/37/169353537.db2.gz POEWKMSIDLHJNO-NEPJUHHUSA-N 1 0 248.370 3.342 10 0 BGAERO CCC(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C)cc1 ZINC000035634924 168341492 /nfs/dbraw/zinc/34/14/92/168341492.db2.gz GBPBJFGBCFZZNB-LLVKDONJSA-N 1 0 248.370 3.342 10 0 BGAERO CCC(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C)cc1 ZINC000035634925 168341938 /nfs/dbraw/zinc/34/19/38/168341938.db2.gz GBPBJFGBCFZZNB-NSHDSACASA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(NC(=O)[C@H](C)CC)cc1 ZINC000035635068 170159402 /nfs/dbraw/zinc/15/94/02/170159402.db2.gz SMYFZARTHSIBIH-VXGBXAGGSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(NC(=O)[C@@H](C)CC)cc1 ZINC000035635069 170159357 /nfs/dbraw/zinc/15/93/57/170159357.db2.gz SMYFZARTHSIBIH-NWDGAFQWSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)[C@H](C)CC)cc1 ZINC000035635070 170141653 /nfs/dbraw/zinc/14/16/53/170141653.db2.gz SMYFZARTHSIBIH-NEPJUHHUSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)[C@@H](C)CC)cc1 ZINC000035635071 170142199 /nfs/dbraw/zinc/14/21/99/170142199.db2.gz SMYFZARTHSIBIH-RYUDHWBXSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)CC(C)C)cc1 ZINC000035635082 170142296 /nfs/dbraw/zinc/14/22/96/170142296.db2.gz UGWKCSQXNZNHFB-LBPRGKRZSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(NC(=O)CC(C)C)cc1 ZINC000035635083 170158808 /nfs/dbraw/zinc/15/88/08/170158808.db2.gz UGWKCSQXNZNHFB-GFCCVEGCSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(NC(=O)C2CCC2)cc1 ZINC000035635124 170142327 /nfs/dbraw/zinc/14/23/27/170142327.db2.gz UWCDBHMJDVGWQG-NSHDSACASA-N 1 0 246.354 3.096 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(NC(=O)C2CCC2)cc1 ZINC000035635125 170159328 /nfs/dbraw/zinc/15/93/28/170159328.db2.gz UWCDBHMJDVGWQG-LLVKDONJSA-N 1 0 246.354 3.096 10 0 BGAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)CCC)cc1 ZINC000035635130 169287234 /nfs/dbraw/zinc/28/72/34/169287234.db2.gz FBJRVXZCWOZJAX-GFCCVEGCSA-N 1 0 248.370 3.486 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)CCC)cc1 ZINC000035635131 169276258 /nfs/dbraw/zinc/27/62/58/169276258.db2.gz FBJRVXZCWOZJAX-LBPRGKRZSA-N 1 0 248.370 3.486 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccc(NC(=O)C(C)C)cc1 ZINC000035635134 169275618 /nfs/dbraw/zinc/27/56/18/169275618.db2.gz XUEYVYPOTJHYHF-LBPRGKRZSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[NH2+][C@H](C)c1ccc(NC(=O)C(C)C)cc1 ZINC000035635135 169287246 /nfs/dbraw/zinc/28/72/46/169287246.db2.gz XUEYVYPOTJHYHF-GFCCVEGCSA-N 1 0 248.370 3.342 10 0 BGAERO CCCCC(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000035635206 168627620 /nfs/dbraw/zinc/62/76/20/168627620.db2.gz KTDBYWQLAQUAEA-LLVKDONJSA-N 1 0 234.343 3.096 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000035635234 169352915 /nfs/dbraw/zinc/35/29/15/169352915.db2.gz MLHXXWNXMAIBNT-VXGBXAGGSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000035635236 169353369 /nfs/dbraw/zinc/35/33/69/169353369.db2.gz MLHXXWNXMAIBNT-NEPJUHHUSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[C@H](C)C(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000035635237 169474927 /nfs/dbraw/zinc/47/49/27/169474927.db2.gz MLHXXWNXMAIBNT-RYUDHWBXSA-N 1 0 248.370 3.342 10 0 BGAERO CCC(CC)C(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000035635272 168341269 /nfs/dbraw/zinc/34/12/69/168341269.db2.gz HKMDVCHIDKUAPR-LLVKDONJSA-N 1 0 248.370 3.342 10 0 BGAERO CCC(CC)C(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000035635273 168341238 /nfs/dbraw/zinc/34/12/38/168341238.db2.gz HKMDVCHIDKUAPR-NSHDSACASA-N 1 0 248.370 3.342 10 0 BGAERO C[NH2+][C@@H](C)c1cccc(NC(=O)CC(C)(C)C)c1 ZINC000035635296 173419699 /nfs/dbraw/zinc/41/96/99/173419699.db2.gz BUNRPGOOEFXQHC-NSHDSACASA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1cccc(NC(=O)[C@H](C)CC)c1 ZINC000035635410 170160136 /nfs/dbraw/zinc/16/01/36/170160136.db2.gz KLQDWSRCFUQUHK-VXGBXAGGSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000035635411 170160200 /nfs/dbraw/zinc/16/02/00/170160200.db2.gz KLQDWSRCFUQUHK-NWDGAFQWSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)[C@H](C)CC)c1 ZINC000035635412 170141896 /nfs/dbraw/zinc/14/18/96/170141896.db2.gz KLQDWSRCFUQUHK-NEPJUHHUSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)[C@@H](C)CC)c1 ZINC000035635413 170141501 /nfs/dbraw/zinc/14/15/01/170141501.db2.gz KLQDWSRCFUQUHK-RYUDHWBXSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)CC(C)C)c1 ZINC000035635424 170141520 /nfs/dbraw/zinc/14/15/20/170141520.db2.gz IAIYBISETMGLNZ-LBPRGKRZSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1cccc(NC(=O)CC(C)C)c1 ZINC000035635425 170160117 /nfs/dbraw/zinc/16/01/17/170160117.db2.gz IAIYBISETMGLNZ-GFCCVEGCSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)C2CCC2)c1 ZINC000035635466 170141544 /nfs/dbraw/zinc/14/15/44/170141544.db2.gz WPJMMEKLMCPRRN-NSHDSACASA-N 1 0 246.354 3.096 10 0 BGAERO CC[NH2+][C@H](C)c1cccc(NC(=O)C2CCC2)c1 ZINC000035635467 170159960 /nfs/dbraw/zinc/15/99/60/170159960.db2.gz WPJMMEKLMCPRRN-LLVKDONJSA-N 1 0 246.354 3.096 10 0 BGAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)C(C)C)c1 ZINC000035635474 169277142 /nfs/dbraw/zinc/27/71/42/169277142.db2.gz PHYRUWXBBCWHII-LBPRGKRZSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[NH2+][C@H](C)c1cccc(NC(=O)C(C)C)c1 ZINC000035635475 169287064 /nfs/dbraw/zinc/28/70/64/169287064.db2.gz PHYRUWXBBCWHII-GFCCVEGCSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[NH2+][C@@H](C)c1cccc(NC(=O)C2CC2)c1 ZINC000035635512 169276970 /nfs/dbraw/zinc/27/69/70/169276970.db2.gz JLRAPOOYFFHRAX-NSHDSACASA-N 1 0 246.354 3.096 10 0 BGAERO CCC[NH2+][C@H](C)c1cccc(NC(=O)C2CC2)c1 ZINC000035635513 169287163 /nfs/dbraw/zinc/28/71/63/169287163.db2.gz JLRAPOOYFFHRAX-LLVKDONJSA-N 1 0 246.354 3.096 10 0 BGAERO CCCCCC(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000035643099 168642530 /nfs/dbraw/zinc/64/25/30/168642530.db2.gz DSHLNAOQSBWHMC-GFCCVEGCSA-N 1 0 248.370 3.486 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000035643124 169353430 /nfs/dbraw/zinc/35/34/30/169353430.db2.gz ZOOKJCIYYACIDU-VXGBXAGGSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1ccccc1[C@H](C)[NH2+]C ZINC000035643129 169353387 /nfs/dbraw/zinc/35/33/87/169353387.db2.gz ZOOKJCIYYACIDU-NEPJUHHUSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[C@H](C)C(=O)Nc1ccccc1[C@H](C)[NH2+]C ZINC000035643132 169475293 /nfs/dbraw/zinc/47/52/93/169475293.db2.gz ZOOKJCIYYACIDU-RYUDHWBXSA-N 1 0 248.370 3.342 10 0 BGAERO CCC(CC)C(=O)Nc1ccccc1[C@@H](C)[NH2+]C ZINC000035643233 168341952 /nfs/dbraw/zinc/34/19/52/168341952.db2.gz UCPQUBLVZBKBCC-LLVKDONJSA-N 1 0 248.370 3.342 10 0 BGAERO CCC(CC)C(=O)Nc1ccccc1[C@H](C)[NH2+]C ZINC000035643236 168341368 /nfs/dbraw/zinc/34/13/68/168341368.db2.gz UCPQUBLVZBKBCC-NSHDSACASA-N 1 0 248.370 3.342 10 0 BGAERO C[NH2+][C@H](C)c1ccccc1NC(=O)CC(C)(C)C ZINC000035643302 173449392 /nfs/dbraw/zinc/44/93/92/173449392.db2.gz NNVQRQKZJDEWHW-LLVKDONJSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)[C@H](C)CC ZINC000035643653 170159985 /nfs/dbraw/zinc/15/99/85/170159985.db2.gz DIMCXOCZDGTRBT-VXGBXAGGSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)[C@@H](C)CC ZINC000035643657 170160485 /nfs/dbraw/zinc/16/04/85/170160485.db2.gz DIMCXOCZDGTRBT-NWDGAFQWSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)[C@H](C)CC ZINC000035643661 170141735 /nfs/dbraw/zinc/14/17/35/170141735.db2.gz DIMCXOCZDGTRBT-NEPJUHHUSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)[C@@H](C)CC ZINC000035643665 170141536 /nfs/dbraw/zinc/14/15/36/170141536.db2.gz DIMCXOCZDGTRBT-RYUDHWBXSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)CC(C)C ZINC000035643705 170141589 /nfs/dbraw/zinc/14/15/89/170141589.db2.gz AHFFNZROPPOHPC-LBPRGKRZSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)CC(C)C ZINC000035643708 170160458 /nfs/dbraw/zinc/16/04/58/170160458.db2.gz AHFFNZROPPOHPC-GFCCVEGCSA-N 1 0 248.370 3.342 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1NC(=O)C1CCC1 ZINC000035643861 170141627 /nfs/dbraw/zinc/14/16/27/170141627.db2.gz FJZUIUHWSUGORR-NSHDSACASA-N 1 0 246.354 3.096 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1NC(=O)C1CCC1 ZINC000035643864 170159674 /nfs/dbraw/zinc/15/96/74/170159674.db2.gz FJZUIUHWSUGORR-LLVKDONJSA-N 1 0 246.354 3.096 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccccc1NC(=O)C(C)C ZINC000035643900 169277206 /nfs/dbraw/zinc/27/72/06/169277206.db2.gz GVSXXTBUKIOERL-LBPRGKRZSA-N 1 0 248.370 3.342 10 0 BGAERO CCC[NH2+][C@H](C)c1ccccc1NC(=O)C(C)C ZINC000035643902 169286682 /nfs/dbraw/zinc/28/66/82/169286682.db2.gz GVSXXTBUKIOERL-GFCCVEGCSA-N 1 0 248.370 3.342 10 0 BGAERO Cc1ccc(O)c([C@H](CC[NH3+])c2ccccc2)c1 ZINC000035643991 383865983 /nfs/dbraw/zinc/86/59/83/383865983.db2.gz LZARZVSGZSQUGG-CQSZACIVSA-N 1 0 241.334 3.181 10 0 in-vitro BGAERO CCC[NH2+][C@@H](C)c1ccccc1NC(=O)C1CC1 ZINC000035644032 169277041 /nfs/dbraw/zinc/27/70/41/169277041.db2.gz YCLOFXMXNPCKHM-NSHDSACASA-N 1 0 246.354 3.096 10 0 BGAERO CCC[NH2+][C@H](C)c1ccccc1NC(=O)C1CC1 ZINC000035644036 169286949 /nfs/dbraw/zinc/28/69/49/169286949.db2.gz YCLOFXMXNPCKHM-LLVKDONJSA-N 1 0 246.354 3.096 10 0 BGAERO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000035647705 169370799 /nfs/dbraw/zinc/37/07/99/169370799.db2.gz UHTLVZBHALMTJE-OLZOCXBDSA-N 1 0 235.371 3.404 10 0 BGAERO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000035647708 169371160 /nfs/dbraw/zinc/37/11/60/169371160.db2.gz UHTLVZBHALMTJE-CHWSQXEVSA-N 1 0 235.371 3.404 10 0 BGAERO COc1ccc(C[C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000035648286 175117330 /nfs/dbraw/zinc/11/73/30/175117330.db2.gz MPXKXGZPNWBGJK-QWHCGFSZSA-N 1 0 235.371 3.260 10 0 BGAERO COc1ccc(C[C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000035648288 187257896 /nfs/dbraw/zinc/25/78/96/187257896.db2.gz MPXKXGZPNWBGJK-STQMWFEESA-N 1 0 235.371 3.260 10 0 BGAERO COc1ccc(C[C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000035648290 175115664 /nfs/dbraw/zinc/11/56/64/175115664.db2.gz MPXKXGZPNWBGJK-CHWSQXEVSA-N 1 0 235.371 3.260 10 0 BGAERO COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000035648291 175115499 /nfs/dbraw/zinc/11/54/99/175115499.db2.gz MPXKXGZPNWBGJK-OLZOCXBDSA-N 1 0 235.371 3.260 10 0 BGAERO Cc1c(N)cccc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000035648991 177612393 /nfs/dbraw/zinc/61/23/93/177612393.db2.gz PFZAKBXNGYAPDN-RYUDHWBXSA-N 1 0 232.371 3.340 10 0 BGAERO Cc1ccc(C)n1CCC[N@H+]1CCCC[C@H]1C ZINC000035651181 178510277 /nfs/dbraw/zinc/51/02/77/178510277.db2.gz FYMRNKWWQOEFAH-CYBMUJFWSA-N 1 0 234.387 3.369 10 0 BGAERO C[N@H+](CCCn1cccc1)Cc1ccccc1 ZINC000035651182 343301207 /nfs/dbraw/zinc/30/12/07/343301207.db2.gz LXGMKNIHWMFBEU-UHFFFAOYSA-N 1 0 228.339 3.010 10 0 BGAERO CCC[NH2+][C@@H]1CCCOc2c(OC)cc(C)cc21 ZINC000035652522 169282465 /nfs/dbraw/zinc/28/24/65/169282465.db2.gz HAFGBUNUYXUFCG-CYBMUJFWSA-N 1 0 249.354 3.217 10 0 BGAERO CCC[NH2+][C@H]1CCCOc2c(OC)cc(C)cc21 ZINC000035652523 169290499 /nfs/dbraw/zinc/29/04/99/169290499.db2.gz HAFGBUNUYXUFCG-ZDUSSCGKSA-N 1 0 249.354 3.217 10 0 BGAERO CC(C)[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC000035652622 167134795 /nfs/dbraw/zinc/13/47/95/167134795.db2.gz UNUDUKCSVZDUOB-LLVKDONJSA-N 1 0 225.719 3.162 10 0 BGAERO CC(C)[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC000035652623 167139982 /nfs/dbraw/zinc/13/99/82/167139982.db2.gz UNUDUKCSVZDUOB-NSHDSACASA-N 1 0 225.719 3.162 10 0 BGAERO CCC[NH2+][C@@H]1CCOc2ccc(Cl)cc21 ZINC000035652624 169283211 /nfs/dbraw/zinc/28/32/11/169283211.db2.gz QPMKQVSGANTGRP-LLVKDONJSA-N 1 0 225.719 3.163 10 0 BGAERO CCC[NH2+][C@H]1CCOc2ccc(Cl)cc21 ZINC000035652625 169292408 /nfs/dbraw/zinc/29/24/08/169292408.db2.gz QPMKQVSGANTGRP-NSHDSACASA-N 1 0 225.719 3.163 10 0 BGAERO CC[NH2+][C@@H]1CCOc2c3ccccc3ccc21 ZINC000035652730 170152610 /nfs/dbraw/zinc/15/26/10/170152610.db2.gz JVKRXGGOWZHJCP-CQSZACIVSA-N 1 0 227.307 3.273 10 0 BGAERO CC[NH2+][C@H]1CCOc2c3ccccc3ccc21 ZINC000035652731 170168848 /nfs/dbraw/zinc/16/88/48/170168848.db2.gz JVKRXGGOWZHJCP-AWEZNQCLSA-N 1 0 227.307 3.273 10 0 BGAERO CC(C)[NH2+][C@@H]1COc2c1ccc1ccccc21 ZINC000035652736 167136853 /nfs/dbraw/zinc/13/68/53/167136853.db2.gz XJFWHHDQWNUQMQ-CQSZACIVSA-N 1 0 227.307 3.271 10 0 BGAERO CC(C)[NH2+][C@H]1COc2c1ccc1ccccc21 ZINC000035652737 167143060 /nfs/dbraw/zinc/14/30/60/167143060.db2.gz XJFWHHDQWNUQMQ-AWEZNQCLSA-N 1 0 227.307 3.271 10 0 BGAERO CCC[NH2+][C@@H]1COc2c1ccc1ccccc21 ZINC000035652738 169283426 /nfs/dbraw/zinc/28/34/26/169283426.db2.gz BLTOJVIIQJYYOB-CQSZACIVSA-N 1 0 227.307 3.273 10 0 BGAERO CCC[NH2+][C@H]1COc2c1ccc1ccccc21 ZINC000035652739 169292385 /nfs/dbraw/zinc/29/23/85/169292385.db2.gz BLTOJVIIQJYYOB-AWEZNQCLSA-N 1 0 227.307 3.273 10 0 BGAERO CC[NH2+][C@@H]1COc2c1cc(OC)cc2C(C)(C)C ZINC000035652772 170153547 /nfs/dbraw/zinc/15/35/47/170153547.db2.gz BFYNXJTUTYGAII-CYBMUJFWSA-N 1 0 249.354 3.036 10 0 BGAERO CC[NH2+][C@H]1COc2c1cc(OC)cc2C(C)(C)C ZINC000035652773 170169090 /nfs/dbraw/zinc/16/90/90/170169090.db2.gz BFYNXJTUTYGAII-ZDUSSCGKSA-N 1 0 249.354 3.036 10 0 BGAERO CCC[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000035652822 169282693 /nfs/dbraw/zinc/28/26/93/169282693.db2.gz AWLCZLTWWXFWDS-LLVKDONJSA-N 1 0 225.719 3.163 10 0 BGAERO CCC[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000035652823 169291569 /nfs/dbraw/zinc/29/15/69/169291569.db2.gz AWLCZLTWWXFWDS-NSHDSACASA-N 1 0 225.719 3.163 10 0 BGAERO CC[NH2+][C@@H]1COc2c1cccc2-c1ccccc1 ZINC000035652864 170154265 /nfs/dbraw/zinc/15/42/65/170154265.db2.gz NDNAWSYFIRJZOR-OAHLLOKOSA-N 1 0 239.318 3.397 10 0 BGAERO CC[NH2+][C@H]1COc2c1cccc2-c1ccccc1 ZINC000035652865 170168462 /nfs/dbraw/zinc/16/84/62/170168462.db2.gz NDNAWSYFIRJZOR-HNNXBMFYSA-N 1 0 239.318 3.397 10 0 BGAERO C[NH2+][C@H]1CCOc2c(Cl)c(Cl)ccc21 ZINC000035652951 173466855 /nfs/dbraw/zinc/46/68/55/173466855.db2.gz MOYCQDXGRZJVHJ-QMMMGPOBSA-N 1 0 232.110 3.036 10 0 BGAERO CC[NH2+][C@@H]1COc2c1ccc(Cl)c2Cl ZINC000035652958 170154017 /nfs/dbraw/zinc/15/40/17/170154017.db2.gz XYKJHPNNBSEPCF-MRVPVSSYSA-N 1 0 232.110 3.036 10 0 BGAERO CC[NH2+][C@H]1COc2c1ccc(Cl)c2Cl ZINC000035652959 170168528 /nfs/dbraw/zinc/16/85/28/170168528.db2.gz XYKJHPNNBSEPCF-QMMMGPOBSA-N 1 0 232.110 3.036 10 0 BGAERO Cc1cc2c(c(C(C)(C)C)c1)OC[C@@H]2[NH2+]C1CC1 ZINC000035653000 178282183 /nfs/dbraw/zinc/28/21/83/178282183.db2.gz FSECWZWJOBFABF-AWEZNQCLSA-N 1 0 245.366 3.478 10 0 BGAERO Cc1cc2c(c(C(C)(C)C)c1)OC[C@H]2[NH2+]C1CC1 ZINC000035653002 178282128 /nfs/dbraw/zinc/28/21/28/178282128.db2.gz FSECWZWJOBFABF-CQSZACIVSA-N 1 0 245.366 3.478 10 0 BGAERO CC[NH2+][C@@H]1COc2c1cc(C)cc2C(C)(C)C ZINC000035653011 170154509 /nfs/dbraw/zinc/15/45/09/170154509.db2.gz JQRRPNFVYPEEJW-CYBMUJFWSA-N 1 0 233.355 3.336 10 0 BGAERO CC[NH2+][C@H]1COc2c1cc(C)cc2C(C)(C)C ZINC000035653012 170168772 /nfs/dbraw/zinc/16/87/72/170168772.db2.gz JQRRPNFVYPEEJW-ZDUSSCGKSA-N 1 0 233.355 3.336 10 0 BGAERO CC[NH2+][C@@H]1CCOc2c(C)cc(Cl)cc21 ZINC000035653054 170152805 /nfs/dbraw/zinc/15/28/05/170152805.db2.gz DYAWDMGLCGMGPW-LLVKDONJSA-N 1 0 225.719 3.082 10 0 BGAERO CC[NH2+][C@H]1CCOc2c(C)cc(Cl)cc21 ZINC000035653056 170168616 /nfs/dbraw/zinc/16/86/16/170168616.db2.gz DYAWDMGLCGMGPW-NSHDSACASA-N 1 0 225.719 3.082 10 0 BGAERO [NH3+][C@@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653173 342753856 /nfs/dbraw/zinc/75/38/56/342753856.db2.gz QMJBGOTZOUWHMF-RXMQYKEDSA-N 1 0 238.501 3.039 10 0 BGAERO [NH3+][C@H]1COc2c1c(Cl)c(Cl)cc2Cl ZINC000035653175 342753731 /nfs/dbraw/zinc/75/37/31/342753731.db2.gz QMJBGOTZOUWHMF-YFKPBYRVSA-N 1 0 238.501 3.039 10 0 BGAERO CC[NH2+][C@@H]1COc2c1c(C)ccc2C(C)(C)C ZINC000035653228 170154280 /nfs/dbraw/zinc/15/42/80/170154280.db2.gz AVWUHWAOXVELRJ-GFCCVEGCSA-N 1 0 233.355 3.336 10 0 BGAERO CC[NH2+][C@H]1COc2c1c(C)ccc2C(C)(C)C ZINC000035653230 170168901 /nfs/dbraw/zinc/16/89/01/170168901.db2.gz AVWUHWAOXVELRJ-LBPRGKRZSA-N 1 0 233.355 3.336 10 0 BGAERO CC[NH2+][C@@H]1CCCOc2c(C)c(C)cc(C)c21 ZINC000035653304 170150951 /nfs/dbraw/zinc/15/09/51/170150951.db2.gz LPEGDAWYPAMAGP-CYBMUJFWSA-N 1 0 233.355 3.435 10 0 BGAERO CC[NH2+][C@H]1CCCOc2c(C)c(C)cc(C)c21 ZINC000035653306 170167191 /nfs/dbraw/zinc/16/71/91/170167191.db2.gz LPEGDAWYPAMAGP-ZDUSSCGKSA-N 1 0 233.355 3.435 10 0 BGAERO CCC[NH2+][C@@H]1CCOc2c(C)c(C)cc(C)c21 ZINC000035653319 169283485 /nfs/dbraw/zinc/28/34/85/169283485.db2.gz HJJSWIMTLRPZJT-CYBMUJFWSA-N 1 0 233.355 3.435 10 0 BGAERO CCC[NH2+][C@H]1CCOc2c(C)c(C)cc(C)c21 ZINC000035653321 169292078 /nfs/dbraw/zinc/29/20/78/169292078.db2.gz HJJSWIMTLRPZJT-ZDUSSCGKSA-N 1 0 233.355 3.435 10 0 BGAERO CC(C)[NH2+][C@@H]1CCCOc2c(F)cc(F)cc21 ZINC000035653358 167133904 /nfs/dbraw/zinc/13/39/04/167133904.db2.gz DWZGWBWKXDYTOX-GFCCVEGCSA-N 1 0 241.281 3.177 10 0 BGAERO CC(C)[NH2+][C@H]1CCCOc2c(F)cc(F)cc21 ZINC000035653360 167141091 /nfs/dbraw/zinc/14/10/91/167141091.db2.gz DWZGWBWKXDYTOX-LBPRGKRZSA-N 1 0 241.281 3.177 10 0 BGAERO CCC[NH2+][C@@H]1CCCOc2c(F)cc(F)cc21 ZINC000035653362 169282059 /nfs/dbraw/zinc/28/20/59/169282059.db2.gz GSKDDVQMWDLBOI-GFCCVEGCSA-N 1 0 241.281 3.178 10 0 BGAERO CCC[NH2+][C@H]1CCCOc2c(F)cc(F)cc21 ZINC000035653363 169290754 /nfs/dbraw/zinc/29/07/54/169290754.db2.gz GSKDDVQMWDLBOI-LBPRGKRZSA-N 1 0 241.281 3.178 10 0 BGAERO CCC(C)(C)c1ccc2c(c1)[C@H]([NH2+]C)CCO2 ZINC000035653575 168305206 /nfs/dbraw/zinc/30/52/06/168305206.db2.gz QZLRHXYOIQHFSW-CYBMUJFWSA-N 1 0 233.355 3.417 10 0 BGAERO CCC(C)(C)c1ccc2c(c1)[C@@H]([NH2+]C)CCO2 ZINC000035653577 168306054 /nfs/dbraw/zinc/30/60/54/168306054.db2.gz QZLRHXYOIQHFSW-ZDUSSCGKSA-N 1 0 233.355 3.417 10 0 BGAERO CC[NH2+][C@@H]1COc2ccc(C(C)(C)CC)cc21 ZINC000035653591 170153591 /nfs/dbraw/zinc/15/35/91/170153591.db2.gz DKZMEZYMXXKVNN-CYBMUJFWSA-N 1 0 233.355 3.417 10 0 BGAERO CC[NH2+][C@H]1COc2ccc(C(C)(C)CC)cc21 ZINC000035653593 170169130 /nfs/dbraw/zinc/16/91/30/170169130.db2.gz DKZMEZYMXXKVNN-ZDUSSCGKSA-N 1 0 233.355 3.417 10 0 BGAERO Cc1ccc2c(c1C)OCCC[C@@H]2[NH2+]C1CC1 ZINC000035653654 178962946 /nfs/dbraw/zinc/96/29/46/178962946.db2.gz CSKMMMCBFDVUKM-AWEZNQCLSA-N 1 0 231.339 3.269 10 0 BGAERO c1c2c(cc3c1OCCC[C@H]3[NH2+]C1CC1)CCC2 ZINC000035653971 183322249 /nfs/dbraw/zinc/32/22/49/183322249.db2.gz XNDJMXVRQHOOME-OAHLLOKOSA-N 1 0 243.350 3.141 10 0 BGAERO c1c2c(cc3c1OCCC[C@@H]3[NH2+]C1CC1)CCC2 ZINC000035653973 183321832 /nfs/dbraw/zinc/32/18/32/183321832.db2.gz XNDJMXVRQHOOME-HNNXBMFYSA-N 1 0 243.350 3.141 10 0 BGAERO CC(C)[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000035653975 167134088 /nfs/dbraw/zinc/13/40/88/167134088.db2.gz QEZQBPKTAPDJEZ-OAHLLOKOSA-N 1 0 245.366 3.387 10 0 BGAERO CC(C)[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000035653977 167139425 /nfs/dbraw/zinc/13/94/25/167139425.db2.gz QEZQBPKTAPDJEZ-HNNXBMFYSA-N 1 0 245.366 3.387 10 0 BGAERO CCC[NH2+][C@@H]1CCCOc2ccc(OCC)cc21 ZINC000035654050 169281580 /nfs/dbraw/zinc/28/15/80/169281580.db2.gz FQBJOCGZBGHCSR-CQSZACIVSA-N 1 0 249.354 3.299 10 0 BGAERO CCC[NH2+][C@H]1CCCOc2ccc(OCC)cc21 ZINC000035654052 169290728 /nfs/dbraw/zinc/29/07/28/169290728.db2.gz FQBJOCGZBGHCSR-AWEZNQCLSA-N 1 0 249.354 3.299 10 0 BGAERO CCCOc1ccc2c(c1)[C@H]([NH2+]CC)CCCO2 ZINC000035654117 169323031 /nfs/dbraw/zinc/32/30/31/169323031.db2.gz DOCVDTXUCPRVET-CQSZACIVSA-N 1 0 249.354 3.299 10 0 BGAERO CCCOc1ccc2c(c1)[C@@H]([NH2+]CC)CCCO2 ZINC000035654119 169323525 /nfs/dbraw/zinc/32/35/25/169323525.db2.gz DOCVDTXUCPRVET-AWEZNQCLSA-N 1 0 249.354 3.299 10 0 BGAERO CCCOc1ccc2c(c1)[C@H]([NH2+]C1CC1)CCO2 ZINC000035654125 169323102 /nfs/dbraw/zinc/32/31/02/169323102.db2.gz VPGDXVPVOLNRSG-CQSZACIVSA-N 1 0 247.338 3.051 10 0 BGAERO CCCOc1ccc2c(c1)[C@@H]([NH2+]C1CC1)CCO2 ZINC000035654127 169323508 /nfs/dbraw/zinc/32/35/08/169323508.db2.gz VPGDXVPVOLNRSG-AWEZNQCLSA-N 1 0 247.338 3.051 10 0 BGAERO CCCOc1ccc2c(c1)[C@H]([NH2+]C(C)C)CCO2 ZINC000035654130 169323469 /nfs/dbraw/zinc/32/34/69/169323469.db2.gz MYUSDURAYQOUEX-CQSZACIVSA-N 1 0 249.354 3.297 10 0 BGAERO CCCOc1ccc2c(c1)[C@@H]([NH2+]C(C)C)CCO2 ZINC000035654132 169322939 /nfs/dbraw/zinc/32/29/39/169322939.db2.gz MYUSDURAYQOUEX-AWEZNQCLSA-N 1 0 249.354 3.297 10 0 BGAERO CCC[NH2+][C@@H]1CCOc2ccc(OCCC)cc21 ZINC000035654134 169282724 /nfs/dbraw/zinc/28/27/24/169282724.db2.gz AEQLEYYPOUUSAR-CQSZACIVSA-N 1 0 249.354 3.299 10 0 BGAERO CCC[NH2+][C@H]1CCOc2ccc(OCCC)cc21 ZINC000035654136 169293069 /nfs/dbraw/zinc/29/30/69/169293069.db2.gz AEQLEYYPOUUSAR-AWEZNQCLSA-N 1 0 249.354 3.299 10 0 BGAERO CC[NH2+][C@@H]1COc2c1cc(Cl)cc2Cl ZINC000035654213 170153431 /nfs/dbraw/zinc/15/34/31/170153431.db2.gz IFAYXBZULSWZQI-SECBINFHSA-N 1 0 232.110 3.036 10 0 BGAERO CC[NH2+][C@H]1COc2c1cc(Cl)cc2Cl ZINC000035654215 170168644 /nfs/dbraw/zinc/16/86/44/170168644.db2.gz IFAYXBZULSWZQI-VIFPVBQESA-N 1 0 232.110 3.036 10 0 BGAERO C[NH2+][C@@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654252 383865016 /nfs/dbraw/zinc/86/50/16/383865016.db2.gz UIDHAVMKODCUGV-MRVPVSSYSA-N 1 0 232.110 3.036 10 0 BGAERO C[NH2+][C@H]1CCOc2c(Cl)ccc(Cl)c21 ZINC000035654254 384087535 /nfs/dbraw/zinc/08/75/35/384087535.db2.gz UIDHAVMKODCUGV-QMMMGPOBSA-N 1 0 232.110 3.036 10 0 BGAERO CC[NH2+][C@@H]1COc2c1c(Cl)ccc2Cl ZINC000035654267 170154009 /nfs/dbraw/zinc/15/40/09/170154009.db2.gz UREVNJXXEQHEJE-MRVPVSSYSA-N 1 0 232.110 3.036 10 0 BGAERO CC[NH2+][C@H]1COc2c1c(Cl)ccc2Cl ZINC000035654268 170168892 /nfs/dbraw/zinc/16/88/92/170168892.db2.gz UREVNJXXEQHEJE-QMMMGPOBSA-N 1 0 232.110 3.036 10 0 BGAERO CCOc1cccc2c1OCCC[C@H]2[NH2+]C(C)C ZINC000035654316 170587261 /nfs/dbraw/zinc/58/72/61/170587261.db2.gz SRCKCTHVSQDMBK-CYBMUJFWSA-N 1 0 249.354 3.297 10 0 BGAERO CCC[NH2+][C@@H]1CCCOc2c(OCC)cccc21 ZINC000035654318 169282275 /nfs/dbraw/zinc/28/22/75/169282275.db2.gz IXMGIGZGFATQTL-CYBMUJFWSA-N 1 0 249.354 3.299 10 0 BGAERO CCC[NH2+][C@H]1CCCOc2c(OCC)cccc21 ZINC000035654320 169290478 /nfs/dbraw/zinc/29/04/78/169290478.db2.gz IXMGIGZGFATQTL-ZDUSSCGKSA-N 1 0 249.354 3.299 10 0 BGAERO CC[NH2+][C@@H]1CCOc2ccc(C(C)C)cc21 ZINC000035654570 170153127 /nfs/dbraw/zinc/15/31/27/170153127.db2.gz DNLULHZEFFBMPW-CYBMUJFWSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@H]1CCOc2ccc(C(C)C)cc21 ZINC000035654572 170168957 /nfs/dbraw/zinc/16/89/57/170168957.db2.gz DNLULHZEFFBMPW-ZDUSSCGKSA-N 1 0 219.328 3.243 10 0 BGAERO C[NH2+][C@@H]1CCCOc2ccc(C(C)(C)C)cc21 ZINC000035654615 173434478 /nfs/dbraw/zinc/43/44/78/173434478.db2.gz FMPWLAYHKLMDFO-CYBMUJFWSA-N 1 0 233.355 3.417 10 0 BGAERO CC[NH2+][C@@H]1CCOc2ccc(C(C)(C)C)cc21 ZINC000035654630 170152881 /nfs/dbraw/zinc/15/28/81/170152881.db2.gz ANYHJASNTMEPFU-CYBMUJFWSA-N 1 0 233.355 3.417 10 0 BGAERO CC[NH2+][C@H]1CCOc2ccc(C(C)(C)C)cc21 ZINC000035654632 170168804 /nfs/dbraw/zinc/16/88/04/170168804.db2.gz ANYHJASNTMEPFU-ZDUSSCGKSA-N 1 0 233.355 3.417 10 0 BGAERO CC(C)[NH2+][C@@H]1COc2ccc(C(C)(C)C)cc21 ZINC000035654641 167136591 /nfs/dbraw/zinc/13/65/91/167136591.db2.gz QLQLSKAXNAICGK-CYBMUJFWSA-N 1 0 233.355 3.416 10 0 BGAERO CC(C)[NH2+][C@H]1COc2ccc(C(C)(C)C)cc21 ZINC000035654643 167142913 /nfs/dbraw/zinc/14/29/13/167142913.db2.gz QLQLSKAXNAICGK-ZDUSSCGKSA-N 1 0 233.355 3.416 10 0 BGAERO CCC[NH2+][C@@H]1COc2ccc(C(C)(C)C)cc21 ZINC000035654645 169283097 /nfs/dbraw/zinc/28/30/97/169283097.db2.gz CNRHWFQWQXZSAE-CYBMUJFWSA-N 1 0 233.355 3.417 10 0 BGAERO CCC[NH2+][C@H]1COc2ccc(C(C)(C)C)cc21 ZINC000035654646 169292487 /nfs/dbraw/zinc/29/24/87/169292487.db2.gz CNRHWFQWQXZSAE-ZDUSSCGKSA-N 1 0 233.355 3.417 10 0 BGAERO CCc1ccc2c(c1)[C@H]([NH2+]C(C)C)CCCO2 ZINC000035654661 171848725 /nfs/dbraw/zinc/84/87/25/171848725.db2.gz CDKIQFWLKRMPLX-CQSZACIVSA-N 1 0 233.355 3.461 10 0 BGAERO CCC[NH2+][C@@H]1CCCOc2ccc(CC)cc21 ZINC000035654665 169282093 /nfs/dbraw/zinc/28/20/93/169282093.db2.gz XIHBYEDCBHQNGQ-CQSZACIVSA-N 1 0 233.355 3.462 10 0 BGAERO CCC[NH2+][C@H]1CCCOc2ccc(CC)cc21 ZINC000035654667 169290691 /nfs/dbraw/zinc/29/06/91/169290691.db2.gz XIHBYEDCBHQNGQ-AWEZNQCLSA-N 1 0 233.355 3.462 10 0 BGAERO CC[NH2+][C@@H]1CCOc2c(C(C)C)cccc21 ZINC000035654787 170152807 /nfs/dbraw/zinc/15/28/07/170152807.db2.gz QTPHPLTUYYHRNA-CYBMUJFWSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@H]1CCOc2c(C(C)C)cccc21 ZINC000035654789 170168708 /nfs/dbraw/zinc/16/87/08/170168708.db2.gz QTPHPLTUYYHRNA-ZDUSSCGKSA-N 1 0 219.328 3.243 10 0 BGAERO CC[C@H](C)c1cccc2c1OC[C@H]2[NH2+]C1CC1 ZINC000035654895 171412112 /nfs/dbraw/zinc/41/21/12/171412112.db2.gz HKVLUDKODFHBEQ-IINYFYTJSA-N 1 0 231.339 3.386 10 0 BGAERO C[NH2+][C@H]1CCCOc2c1cccc2C(C)(C)C ZINC000035654944 173461863 /nfs/dbraw/zinc/46/18/63/173461863.db2.gz RHZGQDDUKYARGR-ZDUSSCGKSA-N 1 0 233.355 3.417 10 0 BGAERO C[NH2+][C@@H]1CCCOc2c1cccc2C(C)(C)C ZINC000035654946 173434521 /nfs/dbraw/zinc/43/45/21/173434521.db2.gz RHZGQDDUKYARGR-CYBMUJFWSA-N 1 0 233.355 3.417 10 0 BGAERO CC[NH2+][C@@H]1CCOc2c1cccc2C(C)(C)C ZINC000035654959 170153295 /nfs/dbraw/zinc/15/32/95/170153295.db2.gz BXNWLIWNOYGZIT-CYBMUJFWSA-N 1 0 233.355 3.417 10 0 BGAERO CC[NH2+][C@H]1CCOc2c1cccc2C(C)(C)C ZINC000035654961 170168895 /nfs/dbraw/zinc/16/88/95/170168895.db2.gz BXNWLIWNOYGZIT-ZDUSSCGKSA-N 1 0 233.355 3.417 10 0 BGAERO C[NH2+][C@@H]1CCOc2c1cccc2C(C)(C)C ZINC000035654965 173437370 /nfs/dbraw/zinc/43/73/70/173437370.db2.gz MPLWZCOKWUJQLK-GFCCVEGCSA-N 1 0 219.328 3.027 10 0 BGAERO CC(C)[NH2+][C@@H]1COc2c1cccc2C(C)(C)C ZINC000035654970 167136633 /nfs/dbraw/zinc/13/66/33/167136633.db2.gz ZDZCPXYDJMOVLO-CYBMUJFWSA-N 1 0 233.355 3.416 10 0 BGAERO CC(C)[NH2+][C@H]1COc2c1cccc2C(C)(C)C ZINC000035654972 167142766 /nfs/dbraw/zinc/14/27/66/167142766.db2.gz ZDZCPXYDJMOVLO-ZDUSSCGKSA-N 1 0 233.355 3.416 10 0 BGAERO CCC[NH2+][C@@H]1COc2c1cccc2C(C)(C)C ZINC000035654973 169283430 /nfs/dbraw/zinc/28/34/30/169283430.db2.gz FZGLEPBFGIYWDL-CYBMUJFWSA-N 1 0 233.355 3.417 10 0 BGAERO CCC[NH2+][C@H]1COc2c1cccc2C(C)(C)C ZINC000035654975 169293089 /nfs/dbraw/zinc/29/30/89/169293089.db2.gz FZGLEPBFGIYWDL-ZDUSSCGKSA-N 1 0 233.355 3.417 10 0 BGAERO Cc1cc(C)c2c(c1)[C@H]([NH2+]C1CC1)CCCO2 ZINC000035654988 187249557 /nfs/dbraw/zinc/24/95/57/187249557.db2.gz AJQONRIGTCLSOK-CQSZACIVSA-N 1 0 231.339 3.269 10 0 BGAERO CCCOc1cccc2c1OCCC[C@@H]2[NH2+]CC ZINC000035655213 169327001 /nfs/dbraw/zinc/32/70/01/169327001.db2.gz YVPOXXAWJPMCGS-ZDUSSCGKSA-N 1 0 249.354 3.299 10 0 BGAERO CCCOc1cccc2c1OCCC[C@H]2[NH2+]CC ZINC000035655215 169326911 /nfs/dbraw/zinc/32/69/11/169326911.db2.gz YVPOXXAWJPMCGS-CYBMUJFWSA-N 1 0 249.354 3.299 10 0 BGAERO CCCOc1cccc2c1OCC[C@@H]2[NH2+]C1CC1 ZINC000035655221 169326515 /nfs/dbraw/zinc/32/65/15/169326515.db2.gz FCVXMYLEVHEDBI-ZDUSSCGKSA-N 1 0 247.338 3.051 10 0 BGAERO CCCOc1cccc2c1OCC[C@H]2[NH2+]C1CC1 ZINC000035655223 169326668 /nfs/dbraw/zinc/32/66/68/169326668.db2.gz FCVXMYLEVHEDBI-CYBMUJFWSA-N 1 0 247.338 3.051 10 0 BGAERO CCCOc1cccc2c1OCC[C@@H]2[NH2+]C(C)C ZINC000035655225 169326933 /nfs/dbraw/zinc/32/69/33/169326933.db2.gz NUJDEUHVUQXEAK-ZDUSSCGKSA-N 1 0 249.354 3.297 10 0 BGAERO CCCOc1cccc2c1OCC[C@H]2[NH2+]C(C)C ZINC000035655227 169326997 /nfs/dbraw/zinc/32/69/97/169326997.db2.gz NUJDEUHVUQXEAK-CYBMUJFWSA-N 1 0 249.354 3.297 10 0 BGAERO CCC[NH2+][C@@H]1CCOc2c(OCCC)cccc21 ZINC000035655229 169283528 /nfs/dbraw/zinc/28/35/28/169283528.db2.gz WWPOMVVTUKXLST-CYBMUJFWSA-N 1 0 249.354 3.299 10 0 BGAERO CCC[NH2+][C@H]1CCOc2c(OCCC)cccc21 ZINC000035655231 169291834 /nfs/dbraw/zinc/29/18/34/169291834.db2.gz WWPOMVVTUKXLST-ZDUSSCGKSA-N 1 0 249.354 3.299 10 0 BGAERO Cc1cc(C(C)(C)C)cc2c1OC[C@H]2[NH2+]C1CC1 ZINC000035657636 187257887 /nfs/dbraw/zinc/25/78/87/187257887.db2.gz YDJYSLCRCYLFOG-CQSZACIVSA-N 1 0 245.366 3.478 10 0 BGAERO CC[NH2+][C@@H]1COc2c1cc(C(C)(C)C)cc2C ZINC000035657641 170153617 /nfs/dbraw/zinc/15/36/17/170153617.db2.gz RESNVPNJKXRREF-CYBMUJFWSA-N 1 0 233.355 3.336 10 0 BGAERO CC[NH2+][C@H]1COc2c1cc(C(C)(C)C)cc2C ZINC000035657642 170169124 /nfs/dbraw/zinc/16/91/24/170169124.db2.gz RESNVPNJKXRREF-ZDUSSCGKSA-N 1 0 233.355 3.336 10 0 BGAERO CCc1cccc2c1OCCC[C@H]2[NH2+]C(C)C ZINC000035657682 171868390 /nfs/dbraw/zinc/86/83/90/171868390.db2.gz CDSBKTTYYBKIQZ-CQSZACIVSA-N 1 0 233.355 3.461 10 0 BGAERO CCC[NH2+][C@@H]1CCCOc2c(CC)cccc21 ZINC000035657683 169282185 /nfs/dbraw/zinc/28/21/85/169282185.db2.gz FPVRWHFRBFEDBV-CQSZACIVSA-N 1 0 233.355 3.462 10 0 BGAERO CCC[NH2+][C@H]1CCCOc2c(CC)cccc21 ZINC000035657684 169290510 /nfs/dbraw/zinc/29/05/10/169290510.db2.gz FPVRWHFRBFEDBV-AWEZNQCLSA-N 1 0 233.355 3.462 10 0 BGAERO CC[NH2+][C@@H]1CCOc2c(Cl)ccc(C)c21 ZINC000035657727 170153061 /nfs/dbraw/zinc/15/30/61/170153061.db2.gz WEQCZCPNOTXNRZ-SNVBAGLBSA-N 1 0 225.719 3.082 10 0 BGAERO CC[NH2+][C@H]1CCOc2c(Cl)ccc(C)c21 ZINC000035657728 170169165 /nfs/dbraw/zinc/16/91/65/170169165.db2.gz WEQCZCPNOTXNRZ-JTQLQIEISA-N 1 0 225.719 3.082 10 0 BGAERO CC[C@H](C)SCCc1[nH]c2ccc(N)cc2[nH+]1 ZINC000035659206 171357087 /nfs/dbraw/zinc/35/70/87/171357087.db2.gz UDUKLLKURGFYKA-VIFPVBQESA-N 1 0 249.383 3.219 10 0 BGAERO [NH3+]Cc1cc(Cl)cc(Cl)c1OC(F)F ZINC000035661858 383866528 /nfs/dbraw/zinc/86/65/28/383866528.db2.gz HMVGTNMWOUERFJ-UHFFFAOYSA-N 1 0 242.052 3.054 10 0 BGAERO CC(C)Oc1c(Cl)cc(Cl)cc1C[NH3+] ZINC000035661859 342754997 /nfs/dbraw/zinc/75/49/97/342754997.db2.gz TVGODNSNYNZJOF-UHFFFAOYSA-N 1 0 234.126 3.239 10 0 BGAERO Cc1ccc(CN(C)c2ccccc2[C@H](C)[NH3+])o1 ZINC000035699860 178557041 /nfs/dbraw/zinc/55/70/41/178557041.db2.gz ZFBQBOBULCQMQW-LBPRGKRZSA-N 1 0 244.338 3.244 10 0 BGAERO C[NH2+][C@@H](C)c1ccccc1N(C)Cc1ccco1 ZINC000035702186 173420188 /nfs/dbraw/zinc/42/01/88/173420188.db2.gz LVTAUBGUSLRPQD-LBPRGKRZSA-N 1 0 244.338 3.196 10 0 BGAERO C[NH2+][C@H](C)c1ccccc1N(C)Cc1ccco1 ZINC000035702189 173449299 /nfs/dbraw/zinc/44/92/99/173449299.db2.gz LVTAUBGUSLRPQD-GFCCVEGCSA-N 1 0 244.338 3.196 10 0 BGAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]CC1CC1 ZINC000035708347 383868613 /nfs/dbraw/zinc/86/86/13/383868613.db2.gz SXYQNOIHFFGENJ-IACUBPJLSA-N 1 0 209.377 3.447 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1CC1 ZINC000035708348 187421824 /nfs/dbraw/zinc/42/18/24/187421824.db2.gz SXYQNOIHFFGENJ-KWCYVHTRSA-N 1 0 209.377 3.447 10 0 BGAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CC1CC1 ZINC000035708349 383868595 /nfs/dbraw/zinc/86/85/95/383868595.db2.gz SXYQNOIHFFGENJ-FPMFFAJLSA-N 1 0 209.377 3.447 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)Cc1ccco1 ZINC000035716369 170128623 /nfs/dbraw/zinc/12/86/23/170128623.db2.gz PNMROMQLMPVQAQ-UHFFFAOYSA-N 1 0 244.338 3.026 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)Cc1cccs1 ZINC000035718036 173390693 /nfs/dbraw/zinc/39/06/93/173390693.db2.gz QTTOADYFAQZNKU-UHFFFAOYSA-N 1 0 246.379 3.104 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)Cc1ccsc1 ZINC000035719609 173390303 /nfs/dbraw/zinc/39/03/03/173390303.db2.gz XWBLRXVHWKOSMV-UHFFFAOYSA-N 1 0 246.379 3.104 10 0 BGAERO Cc1cc(Oc2ncccc2C[NH3+])ccc1Cl ZINC000035719760 178215686 /nfs/dbraw/zinc/21/56/86/178215686.db2.gz KVNHQSFFUZIXLZ-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO Cc1cc(Oc2ccc(C[NH3+])cn2)ccc1Cl ZINC000035719761 178214368 /nfs/dbraw/zinc/21/43/68/178214368.db2.gz BIQNRNBEQCDPNC-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO Cc1cc(Oc2cc(C[NH3+])ccn2)ccc1Cl ZINC000035719762 178214332 /nfs/dbraw/zinc/21/43/32/178214332.db2.gz RAQOUNHGYHYHMW-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO Cc1cc(Cl)ccc1Oc1ncccc1C[NH3+] ZINC000035719834 178070191 /nfs/dbraw/zinc/07/01/91/178070191.db2.gz PXORFNNJSJBYAT-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO Cc1cc(Cl)ccc1Oc1ccc(C[NH3+])cn1 ZINC000035719835 178070586 /nfs/dbraw/zinc/07/05/86/178070586.db2.gz PNDFHVZQJBBIQT-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO Cc1cc(Cl)ccc1Oc1cc(C[NH3+])ccn1 ZINC000035719836 178070129 /nfs/dbraw/zinc/07/01/29/178070129.db2.gz NTERKHIERWXUOT-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO [NH3+]Cc1ccc(Sc2ccc(F)cc2)cc1 ZINC000035720114 224484334 /nfs/dbraw/zinc/48/43/34/224484334.db2.gz KJTXHQSTASGELX-UHFFFAOYSA-N 1 0 233.311 3.436 10 0 BGAERO [NH3+]C[C@H]1CCCCC[C@@H]1SCc1ccco1 ZINC000035721829 181457031 /nfs/dbraw/zinc/45/70/31/181457031.db2.gz KPUWCANKXSFDSI-YPMHNXCESA-N 1 0 239.384 3.420 10 0 BGAERO CC(C)CSCc1ccc(C[NH3+])cc1 ZINC000035721857 188104051 /nfs/dbraw/zinc/10/40/51/188104051.db2.gz WCGSOANJGWJCFJ-UHFFFAOYSA-N 1 0 209.358 3.035 10 0 BGAERO [NH3+]Cc1ccc(CSc2cccs2)cc1 ZINC000035722152 181482023 /nfs/dbraw/zinc/48/20/23/181482023.db2.gz JKEWGCQMDUCGCG-UHFFFAOYSA-N 1 0 235.377 3.499 10 0 BGAERO [NH3+]C[C@H]1CCCC[C@H]1Sc1cccs1 ZINC000035722180 384101073 /nfs/dbraw/zinc/10/10/73/384101073.db2.gz YOQMFSROFSLAOU-NXEZZACHSA-N 1 0 227.398 3.358 10 0 BGAERO [NH3+]C[C@H]1CCCC[C@@H]1Sc1cccs1 ZINC000035722181 384099969 /nfs/dbraw/zinc/09/99/69/384099969.db2.gz YOQMFSROFSLAOU-ZJUUUORDSA-N 1 0 227.398 3.358 10 0 BGAERO [NH3+]C[C@@H]1CCCC[C@H]1Sc1cccs1 ZINC000035722182 181428515 /nfs/dbraw/zinc/42/85/15/181428515.db2.gz YOQMFSROFSLAOU-VHSXEESVSA-N 1 0 227.398 3.358 10 0 BGAERO [NH3+]C[C@@H]1CCCC[C@@H]1Sc1cccs1 ZINC000035722183 384100636 /nfs/dbraw/zinc/10/06/36/384100636.db2.gz YOQMFSROFSLAOU-UWVGGRQHSA-N 1 0 227.398 3.358 10 0 BGAERO CC(C)(C)SCc1ccc(C[NH3+])cc1 ZINC000035722384 166689581 /nfs/dbraw/zinc/68/95/81/166689581.db2.gz ATHZEVSTVOWSEH-UHFFFAOYSA-N 1 0 209.358 3.177 10 0 BGAERO CC(C)(C)S[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000035722413 350172696 /nfs/dbraw/zinc/17/26/96/350172696.db2.gz MQBFSIOOFMNTTQ-NXEZZACHSA-N 1 0 201.379 3.036 10 0 BGAERO CC(C)(C)S[C@H]1CCCC[C@@H]1C[NH3+] ZINC000035722414 343302875 /nfs/dbraw/zinc/30/28/75/343302875.db2.gz MQBFSIOOFMNTTQ-ZJUUUORDSA-N 1 0 201.379 3.036 10 0 BGAERO CC(C)(C)S[C@@H]1CCCC[C@H]1C[NH3+] ZINC000035722415 350172760 /nfs/dbraw/zinc/17/27/60/350172760.db2.gz MQBFSIOOFMNTTQ-VHSXEESVSA-N 1 0 201.379 3.036 10 0 BGAERO CC(C)(C)S[C@H]1CCCC[C@H]1C[NH3+] ZINC000035722416 350172653 /nfs/dbraw/zinc/17/26/53/350172653.db2.gz MQBFSIOOFMNTTQ-UWVGGRQHSA-N 1 0 201.379 3.036 10 0 BGAERO CCCS[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000035722463 169340551 /nfs/dbraw/zinc/34/05/51/169340551.db2.gz KWXPKEGUGDURLN-GHMZBOCLSA-N 1 0 201.379 3.037 10 0 BGAERO CCCS[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000035722464 169340721 /nfs/dbraw/zinc/34/07/21/169340721.db2.gz KWXPKEGUGDURLN-MNOVXSKESA-N 1 0 201.379 3.037 10 0 BGAERO CCCS[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000035722465 169340248 /nfs/dbraw/zinc/34/02/48/169340248.db2.gz KWXPKEGUGDURLN-WDEREUQCSA-N 1 0 201.379 3.037 10 0 BGAERO CCCS[C@H]1CCCCC[C@H]1C[NH3+] ZINC000035722466 169340567 /nfs/dbraw/zinc/34/05/67/169340567.db2.gz KWXPKEGUGDURLN-QWRGUYRKSA-N 1 0 201.379 3.037 10 0 BGAERO [NH3+]C[C@@H]1CCC[C@@H]1SCc1ccccc1 ZINC000035722804 181432034 /nfs/dbraw/zinc/43/20/34/181432034.db2.gz VVZQDPALUHUZFC-STQMWFEESA-N 1 0 221.369 3.047 10 0 BGAERO [NH3+]C[C@H]1CCC[C@H]1Sc1ccc(F)cc1 ZINC000035723566 181462980 /nfs/dbraw/zinc/46/29/80/181462980.db2.gz AXYLORWUDQZJNK-BXKDBHETSA-N 1 0 225.332 3.045 10 0 BGAERO Cc1csc(S[C@@H]2CCCC[C@H]2C[NH3+])n1 ZINC000035724667 179791541 /nfs/dbraw/zinc/79/15/41/179791541.db2.gz JIVLCVPRSRLIGJ-VHSXEESVSA-N 1 0 242.413 3.061 10 0 BGAERO [NH3+]C[C@H]1CCC[C@H]1Sc1ccc2c(c1)CCC2 ZINC000035724841 181463579 /nfs/dbraw/zinc/46/35/79/181463579.db2.gz DMCUHSLRWYQHEY-UKRRQHHQSA-N 1 0 247.407 3.395 10 0 BGAERO [NH3+]C[C@H]1CCC[C@@H]1Sc1ccc2c(c1)CCC2 ZINC000035724842 181462304 /nfs/dbraw/zinc/46/23/04/181462304.db2.gz DMCUHSLRWYQHEY-HIFRSBDPSA-N 1 0 247.407 3.395 10 0 BGAERO [NH3+]C[C@@H]1CCC[C@H]1Sc1ccc2c(c1)CCC2 ZINC000035724844 181433172 /nfs/dbraw/zinc/43/31/72/181433172.db2.gz DMCUHSLRWYQHEY-DZGCQCFKSA-N 1 0 247.407 3.395 10 0 BGAERO [NH3+]Cc1cccc(COc2ccc(Cl)cc2)c1 ZINC000035726472 181489496 /nfs/dbraw/zinc/48/94/96/181489496.db2.gz DSNDUCUSCZRRJT-UHFFFAOYSA-N 1 0 247.725 3.378 10 0 BGAERO C[C@H](Nc1cc[nH+]cc1)c1cccs1 ZINC000035737160 176937100 /nfs/dbraw/zinc/93/71/00/176937100.db2.gz ZJWGAFYEHHKRRU-VIFPVBQESA-N 1 0 204.298 3.316 10 0 BGAERO C[C@@H](Nc1cc[nH+]cc1)c1cccs1 ZINC000035737161 342757631 /nfs/dbraw/zinc/75/76/31/342757631.db2.gz ZJWGAFYEHHKRRU-SECBINFHSA-N 1 0 204.298 3.316 10 0 BGAERO C[C@@H](c1cccs1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000035737298 176034539 /nfs/dbraw/zinc/03/45/39/176034539.db2.gz RRQAHEJDDJDBHD-JTQLQIEISA-N 1 0 244.363 3.407 10 0 BGAERO C[C@H](c1cccs1)[N@@H+]1Cc2ccc(N)cc2C1 ZINC000035737299 177050068 /nfs/dbraw/zinc/05/00/68/177050068.db2.gz RRQAHEJDDJDBHD-SNVBAGLBSA-N 1 0 244.363 3.407 10 0 BGAERO C[C@@H](c1cccs1)[N@@H+]1Cc2cccc(N)c2C1 ZINC000035737300 176034258 /nfs/dbraw/zinc/03/42/58/176034258.db2.gz PMNSYFSILNPDRF-JTQLQIEISA-N 1 0 244.363 3.407 10 0 BGAERO C[C@H](c1cccs1)[N@@H+]1Cc2cccc(N)c2C1 ZINC000035737301 177050149 /nfs/dbraw/zinc/05/01/49/177050149.db2.gz PMNSYFSILNPDRF-SNVBAGLBSA-N 1 0 244.363 3.407 10 0 BGAERO C[C@H]([NH2+][C@@H](C)c1ccc(O)cc1)c1ccco1 ZINC000035739031 176889636 /nfs/dbraw/zinc/88/96/36/176889636.db2.gz VGZWRBSNPHUXKJ-QWRGUYRKSA-N 1 0 231.295 3.397 10 0 BGAERO C[C@@H](c1ccco1)N1Cc2ccccc2C1=[NH2+] ZINC000035739440 176033423 /nfs/dbraw/zinc/03/34/23/176033423.db2.gz IYPKJTGLZDYJMK-JTQLQIEISA-N 1 0 226.279 3.182 10 0 BGAERO C[C@H](c1ccco1)N1Cc2ccccc2C1=[NH2+] ZINC000035739441 177048724 /nfs/dbraw/zinc/04/87/24/177048724.db2.gz IYPKJTGLZDYJMK-SNVBAGLBSA-N 1 0 226.279 3.182 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000035749049 170153800 /nfs/dbraw/zinc/15/38/00/170153800.db2.gz VCLNWVMQDZCMNI-GZMMTYOYSA-N 1 0 225.719 3.162 10 0 BGAERO CC[NH2+][C@H]1C[C@H](C)Oc2ccc(Cl)cc21 ZINC000035749051 170169921 /nfs/dbraw/zinc/16/99/21/170169921.db2.gz VCLNWVMQDZCMNI-KWQFWETISA-N 1 0 225.719 3.162 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000035749053 170153970 /nfs/dbraw/zinc/15/39/70/170153970.db2.gz VCLNWVMQDZCMNI-LDYMZIIASA-N 1 0 225.719 3.162 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](C)Oc2ccc(Cl)cc21 ZINC000035749055 170169649 /nfs/dbraw/zinc/16/96/49/170169649.db2.gz VCLNWVMQDZCMNI-KCJUWKMLSA-N 1 0 225.719 3.162 10 0 BGAERO CCC[NH2+][C@@H]1C[C@H](C)Oc2ccc(F)cc21 ZINC000035749527 169283588 /nfs/dbraw/zinc/28/35/88/169283588.db2.gz MMTPTPRSCANXFE-JOYOIKCWSA-N 1 0 223.291 3.037 10 0 BGAERO CCC[NH2+][C@H]1C[C@H](C)Oc2ccc(F)cc21 ZINC000035749529 169292270 /nfs/dbraw/zinc/29/22/70/169292270.db2.gz MMTPTPRSCANXFE-CABZTGNLSA-N 1 0 223.291 3.037 10 0 BGAERO CCC[NH2+][C@@H]1C[C@@H](C)Oc2ccc(F)cc21 ZINC000035749531 169282964 /nfs/dbraw/zinc/28/29/64/169282964.db2.gz MMTPTPRSCANXFE-BXKDBHETSA-N 1 0 223.291 3.037 10 0 BGAERO CCC[NH2+][C@H]1C[C@@H](C)Oc2ccc(F)cc21 ZINC000035749533 169292716 /nfs/dbraw/zinc/29/27/16/169292716.db2.gz MMTPTPRSCANXFE-SKDRFNHKSA-N 1 0 223.291 3.037 10 0 BGAERO Cc1ccc(C)c2c1S[C@@H](C)C[C@H]2[NH3+] ZINC000035751866 342759158 /nfs/dbraw/zinc/75/91/58/342759158.db2.gz ZEPMMKMUVRKNQV-VHSXEESVSA-N 1 0 207.342 3.188 10 0 BGAERO Cc1ccc(C)c2c1S[C@@H](C)C[C@@H]2[NH3+] ZINC000035751868 342759208 /nfs/dbraw/zinc/75/92/08/342759208.db2.gz ZEPMMKMUVRKNQV-UWVGGRQHSA-N 1 0 207.342 3.188 10 0 BGAERO Cc1ccc(C)c2c1S[C@H](C)C[C@H]2[NH3+] ZINC000035751869 342759100 /nfs/dbraw/zinc/75/91/00/342759100.db2.gz ZEPMMKMUVRKNQV-NXEZZACHSA-N 1 0 207.342 3.188 10 0 BGAERO Cc1ccc(C)c2c1S[C@H](C)C[C@@H]2[NH3+] ZINC000035751871 178507780 /nfs/dbraw/zinc/50/77/80/178507780.db2.gz ZEPMMKMUVRKNQV-ZJUUUORDSA-N 1 0 207.342 3.188 10 0 BGAERO C[C@@H]1C[C@H]([NH3+])c2cc(Cl)ccc2S1 ZINC000035751872 384103280 /nfs/dbraw/zinc/10/32/80/384103280.db2.gz XKSIAYGWVFQBCF-MUWHJKNJSA-N 1 0 213.733 3.224 10 0 BGAERO C[C@H]1C[C@H]([NH3+])c2cc(Cl)ccc2S1 ZINC000035751874 177364778 /nfs/dbraw/zinc/36/47/78/177364778.db2.gz XKSIAYGWVFQBCF-RCOVLWMOSA-N 1 0 213.733 3.224 10 0 BGAERO C[C@@H]1C[C@@H]([NH3+])c2cc(Cl)ccc2S1 ZINC000035751875 176371895 /nfs/dbraw/zinc/37/18/95/176371895.db2.gz XKSIAYGWVFQBCF-HZGVNTEJSA-N 1 0 213.733 3.224 10 0 BGAERO C[C@H]1C[C@@H]([NH3+])c2cc(Cl)ccc2S1 ZINC000035751877 177326989 /nfs/dbraw/zinc/32/69/89/177326989.db2.gz XKSIAYGWVFQBCF-IMTBSYHQSA-N 1 0 213.733 3.224 10 0 BGAERO C[C@@H]1C[C@H]([NH3+])c2cccc(Cl)c2S1 ZINC000035751878 384104458 /nfs/dbraw/zinc/10/44/58/384104458.db2.gz OYQPYFIAWVVQRR-MUWHJKNJSA-N 1 0 213.733 3.224 10 0 BGAERO C[C@H]1C[C@H]([NH3+])c2cccc(Cl)c2S1 ZINC000035751880 177364178 /nfs/dbraw/zinc/36/41/78/177364178.db2.gz OYQPYFIAWVVQRR-RCOVLWMOSA-N 1 0 213.733 3.224 10 0 BGAERO C[C@@H]1C[C@@H]([NH3+])c2cccc(Cl)c2S1 ZINC000035751882 176371084 /nfs/dbraw/zinc/37/10/84/176371084.db2.gz OYQPYFIAWVVQRR-HZGVNTEJSA-N 1 0 213.733 3.224 10 0 BGAERO C[C@H]1C[C@@H]([NH3+])c2cccc(Cl)c2S1 ZINC000035751883 177326443 /nfs/dbraw/zinc/32/64/43/177326443.db2.gz OYQPYFIAWVVQRR-IMTBSYHQSA-N 1 0 213.733 3.224 10 0 BGAERO Cc1cc2c(cc1C)[C@@H]([NH3+])C[C@@H](C)S2 ZINC000035751968 178286589 /nfs/dbraw/zinc/28/65/89/178286589.db2.gz PHBHXRRHVIKHOE-KOLCDFICSA-N 1 0 207.342 3.188 10 0 BGAERO Cc1cc2c(cc1C)[C@@H]([NH3+])C[C@H](C)S2 ZINC000035751969 178286238 /nfs/dbraw/zinc/28/62/38/178286238.db2.gz PHBHXRRHVIKHOE-ONGXEEELSA-N 1 0 207.342 3.188 10 0 BGAERO Cc1cc2c(cc1C)[C@H]([NH3+])C[C@@H](C)S2 ZINC000035751971 178287958 /nfs/dbraw/zinc/28/79/58/178287958.db2.gz PHBHXRRHVIKHOE-MWLCHTKSSA-N 1 0 207.342 3.188 10 0 BGAERO Cc1cc2c(cc1C)[C@H]([NH3+])C[C@H](C)S2 ZINC000035751972 178287740 /nfs/dbraw/zinc/28/77/40/178287740.db2.gz PHBHXRRHVIKHOE-GXSJLCMTSA-N 1 0 207.342 3.188 10 0 BGAERO C[C@@H]1CSc2ccc(Cl)cc2[C@@H]1[NH3+] ZINC000035755379 176357083 /nfs/dbraw/zinc/35/70/83/176357083.db2.gz SPFDWTVWTDXQQJ-LHLIQPBNSA-N 1 0 213.733 3.082 10 0 BGAERO C[C@H]1CSc2ccc(Cl)cc2[C@@H]1[NH3+] ZINC000035755380 187422298 /nfs/dbraw/zinc/42/22/98/187422298.db2.gz SPFDWTVWTDXQQJ-QUBYGPBYSA-N 1 0 213.733 3.082 10 0 BGAERO C[C@@H]1CSc2ccc(Cl)cc2[C@H]1[NH3+] ZINC000035755382 176356432 /nfs/dbraw/zinc/35/64/32/176356432.db2.gz SPFDWTVWTDXQQJ-LDWIPMOCSA-N 1 0 213.733 3.082 10 0 BGAERO C[C@H]1CSc2ccc(Cl)cc2[C@H]1[NH3+] ZINC000035755384 188112825 /nfs/dbraw/zinc/11/28/25/188112825.db2.gz SPFDWTVWTDXQQJ-WKEGUHRASA-N 1 0 213.733 3.082 10 0 BGAERO Cc1cc(C)c2c(c1)[C@H]([NH3+])[C@H](C)CS2 ZINC000035755471 342759362 /nfs/dbraw/zinc/75/93/62/342759362.db2.gz JOUSSBYFNNIBTI-MWLCHTKSSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1cc(C)c2c(c1)[C@@H]([NH3+])[C@H](C)CS2 ZINC000035755473 384103136 /nfs/dbraw/zinc/10/31/36/384103136.db2.gz JOUSSBYFNNIBTI-KOLCDFICSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1cc(C)c2c(c1)[C@H]([NH3+])[C@@H](C)CS2 ZINC000035755474 188112339 /nfs/dbraw/zinc/11/23/39/188112339.db2.gz JOUSSBYFNNIBTI-GXSJLCMTSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1cc(C)c2c(c1)[C@@H]([NH3+])[C@@H](C)CS2 ZINC000035755476 177882493 /nfs/dbraw/zinc/88/24/93/177882493.db2.gz JOUSSBYFNNIBTI-ONGXEEELSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1cc2c(cc1C)[C@@H]([NH3+])[C@@H](C)CS2 ZINC000035755507 178286014 /nfs/dbraw/zinc/28/60/14/178286014.db2.gz JPKUJDJXXBLDDL-CABZTGNLSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1cc2c(cc1C)[C@@H]([NH3+])[C@H](C)CS2 ZINC000035755508 178286045 /nfs/dbraw/zinc/28/60/45/178286045.db2.gz JPKUJDJXXBLDDL-SKDRFNHKSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1cc2c(cc1C)[C@H]([NH3+])[C@@H](C)CS2 ZINC000035755510 178287087 /nfs/dbraw/zinc/28/70/87/178287087.db2.gz JPKUJDJXXBLDDL-JOYOIKCWSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1cc2c(cc1C)[C@H]([NH3+])[C@H](C)CS2 ZINC000035755511 178287084 /nfs/dbraw/zinc/28/70/84/178287084.db2.gz JPKUJDJXXBLDDL-BXKDBHETSA-N 1 0 207.342 3.045 10 0 BGAERO C[NH2+][C@@H]1CCSc2ccc(Cl)cc21 ZINC000035759974 384103448 /nfs/dbraw/zinc/10/34/48/384103448.db2.gz UITQDDVLFXTBHT-SECBINFHSA-N 1 0 213.733 3.096 10 0 BGAERO C[NH2+][C@H]1CCSc2ccc(Cl)cc21 ZINC000035759977 384104568 /nfs/dbraw/zinc/10/45/68/384104568.db2.gz UITQDDVLFXTBHT-VIFPVBQESA-N 1 0 213.733 3.096 10 0 BGAERO C[NH2+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000035760038 342759447 /nfs/dbraw/zinc/75/94/47/342759447.db2.gz WFLHEQKVVLZXPT-SNVBAGLBSA-N 1 0 227.760 3.486 10 0 BGAERO C[NH2+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000035760041 342759528 /nfs/dbraw/zinc/75/95/28/342759528.db2.gz WFLHEQKVVLZXPT-JTQLQIEISA-N 1 0 227.760 3.486 10 0 BGAERO C[NH2+][C@H]1C[C@@H](C)Sc2ccc(Cl)cc21 ZINC000035760145 173468672 /nfs/dbraw/zinc/46/86/72/173468672.db2.gz IWLJIXQTQHSPIM-XCBNKYQSSA-N 1 0 227.760 3.485 10 0 BGAERO C[NH2+][C@H]1C[C@H](C)Sc2ccc(Cl)cc21 ZINC000035760148 384104399 /nfs/dbraw/zinc/10/43/99/384104399.db2.gz IWLJIXQTQHSPIM-XVKPBYJWSA-N 1 0 227.760 3.485 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](C)Sc2ccc(Cl)cc21 ZINC000035760150 384103216 /nfs/dbraw/zinc/10/32/16/384103216.db2.gz IWLJIXQTQHSPIM-GMSGAONNSA-N 1 0 227.760 3.485 10 0 BGAERO C[NH2+][C@@H]1C[C@H](C)Sc2ccc(Cl)cc21 ZINC000035760153 384104208 /nfs/dbraw/zinc/10/42/08/384104208.db2.gz IWLJIXQTQHSPIM-OIBJUYFYSA-N 1 0 227.760 3.485 10 0 BGAERO C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000035760155 384104022 /nfs/dbraw/zinc/10/40/22/384104022.db2.gz VJWZOUWFVVNRID-SECBINFHSA-N 1 0 213.733 3.096 10 0 BGAERO C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000035760157 173467705 /nfs/dbraw/zinc/46/77/05/173467705.db2.gz VJWZOUWFVVNRID-VIFPVBQESA-N 1 0 213.733 3.096 10 0 BGAERO C[NH2+][C@@H]1CCCSc2c(Cl)cccc21 ZINC000035760215 342759444 /nfs/dbraw/zinc/75/94/44/342759444.db2.gz ZYOBPSZKVSMUKY-SNVBAGLBSA-N 1 0 227.760 3.486 10 0 BGAERO C[NH2+][C@H]1CCCSc2c(Cl)cccc21 ZINC000035760218 342759387 /nfs/dbraw/zinc/75/93/87/342759387.db2.gz ZYOBPSZKVSMUKY-JTQLQIEISA-N 1 0 227.760 3.486 10 0 BGAERO C[NH2+][C@H]1c2cccc(Cl)c2SC[C@H]1C ZINC000035760267 342759508 /nfs/dbraw/zinc/75/95/08/342759508.db2.gz JWUDLSPQJXAQBE-GMSGAONNSA-N 1 0 227.760 3.342 10 0 BGAERO C[NH2+][C@H]1c2cccc(Cl)c2SC[C@@H]1C ZINC000035760269 342759457 /nfs/dbraw/zinc/75/94/57/342759457.db2.gz JWUDLSPQJXAQBE-OIBJUYFYSA-N 1 0 227.760 3.342 10 0 BGAERO C[NH2+][C@@H]1c2cccc(Cl)c2SC[C@H]1C ZINC000035760271 342759475 /nfs/dbraw/zinc/75/94/75/342759475.db2.gz JWUDLSPQJXAQBE-XCBNKYQSSA-N 1 0 227.760 3.342 10 0 BGAERO C[NH2+][C@@H]1c2cccc(Cl)c2SC[C@@H]1C ZINC000035760274 342759542 /nfs/dbraw/zinc/75/95/42/342759542.db2.gz JWUDLSPQJXAQBE-XVKPBYJWSA-N 1 0 227.760 3.342 10 0 BGAERO C[NH2+][C@H]1C[C@@H](C)Sc2c(Cl)cccc21 ZINC000035760316 384104388 /nfs/dbraw/zinc/10/43/88/384104388.db2.gz RXFRKKDVYGJJNQ-XCBNKYQSSA-N 1 0 227.760 3.485 10 0 BGAERO C[NH2+][C@H]1C[C@H](C)Sc2c(Cl)cccc21 ZINC000035760318 173468943 /nfs/dbraw/zinc/46/89/43/173468943.db2.gz RXFRKKDVYGJJNQ-XVKPBYJWSA-N 1 0 227.760 3.485 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](C)Sc2c(Cl)cccc21 ZINC000035760320 384103196 /nfs/dbraw/zinc/10/31/96/384103196.db2.gz RXFRKKDVYGJJNQ-GMSGAONNSA-N 1 0 227.760 3.485 10 0 BGAERO C[NH2+][C@@H]1C[C@H](C)Sc2c(Cl)cccc21 ZINC000035760323 173439417 /nfs/dbraw/zinc/43/94/17/173439417.db2.gz RXFRKKDVYGJJNQ-OIBJUYFYSA-N 1 0 227.760 3.485 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+]C(C)C)CCS2 ZINC000035760681 175216484 /nfs/dbraw/zinc/21/64/84/175216484.db2.gz KVYNVYWSLUFVBO-GFCCVEGCSA-N 1 0 237.368 3.230 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH2+]C(C)C)CCS2 ZINC000035760684 175214364 /nfs/dbraw/zinc/21/43/64/175214364.db2.gz KVYNVYWSLUFVBO-LBPRGKRZSA-N 1 0 237.368 3.230 10 0 BGAERO CC[NH2+][C@@H]1c2cc(OC)ccc2SC[C@@H]1C ZINC000035760743 170155470 /nfs/dbraw/zinc/15/54/70/170155470.db2.gz HYZHCSNGTXPAPL-ZANVPECISA-N 1 0 237.368 3.088 10 0 BGAERO CC[NH2+][C@H]1c2cc(OC)ccc2SC[C@@H]1C ZINC000035760745 170169625 /nfs/dbraw/zinc/16/96/25/170169625.db2.gz HYZHCSNGTXPAPL-TVQRCGJNSA-N 1 0 237.368 3.088 10 0 BGAERO CC[NH2+][C@@H]1c2cc(OC)ccc2SC[C@H]1C ZINC000035760747 170154749 /nfs/dbraw/zinc/15/47/49/170154749.db2.gz HYZHCSNGTXPAPL-RNCFNFMXSA-N 1 0 237.368 3.088 10 0 BGAERO CC[NH2+][C@H]1c2cc(OC)ccc2SC[C@H]1C ZINC000035760750 170169710 /nfs/dbraw/zinc/16/97/10/170169710.db2.gz HYZHCSNGTXPAPL-NOZJJQNGSA-N 1 0 237.368 3.088 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CC1)C[C@@H](C)S2 ZINC000035760761 175214443 /nfs/dbraw/zinc/21/44/43/175214443.db2.gz MMMAGHACEBHZJO-RNCFNFMXSA-N 1 0 249.379 3.373 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH2+]C1CC1)C[C@H](C)S2 ZINC000035760763 175213974 /nfs/dbraw/zinc/21/39/74/175213974.db2.gz MMMAGHACEBHZJO-ZANVPECISA-N 1 0 249.379 3.373 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+]C1CC1)C[C@@H](C)S2 ZINC000035760765 175215915 /nfs/dbraw/zinc/21/59/15/175215915.db2.gz MMMAGHACEBHZJO-NOZJJQNGSA-N 1 0 249.379 3.373 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+]C1CC1)C[C@H](C)S2 ZINC000035760767 175216269 /nfs/dbraw/zinc/21/62/69/175216269.db2.gz MMMAGHACEBHZJO-TVQRCGJNSA-N 1 0 249.379 3.373 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)Sc2ccc(OC)cc21 ZINC000035760783 170153753 /nfs/dbraw/zinc/15/37/53/170153753.db2.gz ORSPEXUUWICGIV-JOYOIKCWSA-N 1 0 237.368 3.230 10 0 BGAERO CC[NH2+][C@H]1C[C@H](C)Sc2ccc(OC)cc21 ZINC000035760785 170169540 /nfs/dbraw/zinc/16/95/40/170169540.db2.gz ORSPEXUUWICGIV-CABZTGNLSA-N 1 0 237.368 3.230 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2ccc(OC)cc21 ZINC000035760788 170154178 /nfs/dbraw/zinc/15/41/78/170154178.db2.gz ORSPEXUUWICGIV-BXKDBHETSA-N 1 0 237.368 3.230 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](C)Sc2ccc(OC)cc21 ZINC000035760790 170169531 /nfs/dbraw/zinc/16/95/31/170169531.db2.gz ORSPEXUUWICGIV-SKDRFNHKSA-N 1 0 237.368 3.230 10 0 BGAERO c1c2c(cc3c1SCC[C@H]3[NH2+]C1CC1)CCC2 ZINC000035761013 183323049 /nfs/dbraw/zinc/32/30/49/183323049.db2.gz KUGWAHQCRVDFOG-CQSZACIVSA-N 1 0 245.391 3.464 10 0 BGAERO c1c2c(cc3c1SCC[C@@H]3[NH2+]C1CC1)CCC2 ZINC000035761018 183322703 /nfs/dbraw/zinc/32/27/03/183322703.db2.gz KUGWAHQCRVDFOG-AWEZNQCLSA-N 1 0 245.391 3.464 10 0 BGAERO C[NH2+][C@@H]1CCCSc2ccc(C)cc21 ZINC000035761634 383876353 /nfs/dbraw/zinc/87/63/53/383876353.db2.gz MKQPWBIBNYZACO-LLVKDONJSA-N 1 0 207.342 3.141 10 0 BGAERO C[NH2+][C@H]1CCCSc2ccc(C)cc21 ZINC000035761636 384104348 /nfs/dbraw/zinc/10/43/48/384104348.db2.gz MKQPWBIBNYZACO-NSHDSACASA-N 1 0 207.342 3.141 10 0 BGAERO CC[NH2+][C@@H]1CCSc2ccc(C)cc21 ZINC000035761644 170153154 /nfs/dbraw/zinc/15/31/54/170153154.db2.gz MDLCIWXWSIVQTP-LLVKDONJSA-N 1 0 207.342 3.141 10 0 BGAERO CC[NH2+][C@H]1CCSc2ccc(C)cc21 ZINC000035761646 170168510 /nfs/dbraw/zinc/16/85/10/170168510.db2.gz MDLCIWXWSIVQTP-NSHDSACASA-N 1 0 207.342 3.141 10 0 BGAERO C[NH2+][C@@H]1C[C@H](C)Sc2ccc(C)cc21 ZINC000035761701 173439620 /nfs/dbraw/zinc/43/96/20/173439620.db2.gz OXXUXDSVEKAMSS-GXSJLCMTSA-N 1 0 207.342 3.140 10 0 BGAERO C[NH2+][C@H]1C[C@H](C)Sc2ccc(C)cc21 ZINC000035761702 173468755 /nfs/dbraw/zinc/46/87/55/173468755.db2.gz OXXUXDSVEKAMSS-ONGXEEELSA-N 1 0 207.342 3.140 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](C)Sc2ccc(C)cc21 ZINC000035761704 384102867 /nfs/dbraw/zinc/10/28/67/384102867.db2.gz OXXUXDSVEKAMSS-MWLCHTKSSA-N 1 0 207.342 3.140 10 0 BGAERO C[NH2+][C@H]1C[C@@H](C)Sc2ccc(C)cc21 ZINC000035761706 384104300 /nfs/dbraw/zinc/10/43/00/384104300.db2.gz OXXUXDSVEKAMSS-KOLCDFICSA-N 1 0 207.342 3.140 10 0 BGAERO CC[NH2+][C@@H]1CCCSc2ccccc21 ZINC000035761843 170150589 /nfs/dbraw/zinc/15/05/89/170150589.db2.gz IWNMZLXXBQWOJL-LLVKDONJSA-N 1 0 207.342 3.223 10 0 BGAERO CC[NH2+][C@H]1CCCSc2ccccc21 ZINC000035761845 170167070 /nfs/dbraw/zinc/16/70/70/170167070.db2.gz IWNMZLXXBQWOJL-NSHDSACASA-N 1 0 207.342 3.223 10 0 BGAERO CC[NH2+][C@@H]1c2ccccc2SC[C@@H]1C ZINC000035761866 170154928 /nfs/dbraw/zinc/15/49/28/170154928.db2.gz FJPYNXRVLYLDQI-CABZTGNLSA-N 1 0 207.342 3.079 10 0 BGAERO CC[NH2+][C@H]1c2ccccc2SC[C@@H]1C ZINC000035761868 170169460 /nfs/dbraw/zinc/16/94/60/170169460.db2.gz FJPYNXRVLYLDQI-JOYOIKCWSA-N 1 0 207.342 3.079 10 0 BGAERO CC[NH2+][C@@H]1c2ccccc2SC[C@H]1C ZINC000035761869 170154731 /nfs/dbraw/zinc/15/47/31/170154731.db2.gz FJPYNXRVLYLDQI-SKDRFNHKSA-N 1 0 207.342 3.079 10 0 BGAERO CC[NH2+][C@H]1c2ccccc2SC[C@H]1C ZINC000035761870 170169564 /nfs/dbraw/zinc/16/95/64/170169564.db2.gz FJPYNXRVLYLDQI-BXKDBHETSA-N 1 0 207.342 3.079 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)Sc2ccccc21 ZINC000035761883 170153681 /nfs/dbraw/zinc/15/36/81/170153681.db2.gz HIQHEFMPZPPBBL-GXSJLCMTSA-N 1 0 207.342 3.222 10 0 BGAERO CC[NH2+][C@H]1C[C@H](C)Sc2ccccc21 ZINC000035761884 170169852 /nfs/dbraw/zinc/16/98/52/170169852.db2.gz HIQHEFMPZPPBBL-ONGXEEELSA-N 1 0 207.342 3.222 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2ccccc21 ZINC000035761885 170153707 /nfs/dbraw/zinc/15/37/07/170153707.db2.gz HIQHEFMPZPPBBL-MWLCHTKSSA-N 1 0 207.342 3.222 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](C)Sc2ccccc21 ZINC000035761886 170169517 /nfs/dbraw/zinc/16/95/17/170169517.db2.gz HIQHEFMPZPPBBL-KOLCDFICSA-N 1 0 207.342 3.222 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)Sc2ccc(F)cc21 ZINC000035762005 170154459 /nfs/dbraw/zinc/15/44/59/170154459.db2.gz TVZKTIRTCBZAKV-GZMMTYOYSA-N 1 0 225.332 3.361 10 0 BGAERO CC[NH2+][C@H]1C[C@H](C)Sc2ccc(F)cc21 ZINC000035762006 170169894 /nfs/dbraw/zinc/16/98/94/170169894.db2.gz TVZKTIRTCBZAKV-KWQFWETISA-N 1 0 225.332 3.361 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2ccc(F)cc21 ZINC000035762007 170154047 /nfs/dbraw/zinc/15/40/47/170154047.db2.gz TVZKTIRTCBZAKV-LDYMZIIASA-N 1 0 225.332 3.361 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](C)Sc2ccc(F)cc21 ZINC000035762008 170169384 /nfs/dbraw/zinc/16/93/84/170169384.db2.gz TVZKTIRTCBZAKV-KCJUWKMLSA-N 1 0 225.332 3.361 10 0 BGAERO C[NH2+][C@H]1CCSc2c(C)cc(C)cc21 ZINC000035762018 173467890 /nfs/dbraw/zinc/46/78/90/173467890.db2.gz WMGSCYCICKDVFE-NSHDSACASA-N 1 0 207.342 3.060 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)Sc2c(F)cccc21 ZINC000035762255 170154133 /nfs/dbraw/zinc/15/41/33/170154133.db2.gz PHVNMUXRTNKYMR-GZMMTYOYSA-N 1 0 225.332 3.361 10 0 BGAERO CC[NH2+][C@H]1C[C@H](C)Sc2c(F)cccc21 ZINC000035762256 170169904 /nfs/dbraw/zinc/16/99/04/170169904.db2.gz PHVNMUXRTNKYMR-KWQFWETISA-N 1 0 225.332 3.361 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2c(F)cccc21 ZINC000035762257 170153394 /nfs/dbraw/zinc/15/33/94/170153394.db2.gz PHVNMUXRTNKYMR-LDYMZIIASA-N 1 0 225.332 3.361 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](C)Sc2c(F)cccc21 ZINC000035762258 170169787 /nfs/dbraw/zinc/16/97/87/170169787.db2.gz PHVNMUXRTNKYMR-KCJUWKMLSA-N 1 0 225.332 3.361 10 0 BGAERO C[NH2+][C@H]1CCSc2cc(C)c(C)cc21 ZINC000035762395 384102897 /nfs/dbraw/zinc/10/28/97/384102897.db2.gz AYIIRVFBSUZGGW-NSHDSACASA-N 1 0 207.342 3.060 10 0 BGAERO C[NH2+][C@@H]1CCSc2cc(C)c(C)cc21 ZINC000035762396 173437801 /nfs/dbraw/zinc/43/78/01/173437801.db2.gz AYIIRVFBSUZGGW-LLVKDONJSA-N 1 0 207.342 3.060 10 0 BGAERO CC[NH2+][C@@H]1CCSc2cc(F)c(F)cc21 ZINC000035762615 170152793 /nfs/dbraw/zinc/15/27/93/170152793.db2.gz WIUFTISKNQBLBB-SNVBAGLBSA-N 1 0 229.295 3.111 10 0 BGAERO CC[NH2+][C@H]1CCSc2cc(F)c(F)cc21 ZINC000035762616 170168792 /nfs/dbraw/zinc/16/87/92/170168792.db2.gz WIUFTISKNQBLBB-JTQLQIEISA-N 1 0 229.295 3.111 10 0 BGAERO CC[NH2+][C@@H]1CCSc2c(F)cc(F)cc21 ZINC000035762999 170153238 /nfs/dbraw/zinc/15/32/38/170153238.db2.gz YLTVVUAPXJMAPX-SNVBAGLBSA-N 1 0 229.295 3.111 10 0 BGAERO CC[NH2+][C@H]1CCSc2c(F)cc(F)cc21 ZINC000035763000 170168732 /nfs/dbraw/zinc/16/87/32/170168732.db2.gz YLTVVUAPXJMAPX-JTQLQIEISA-N 1 0 229.295 3.111 10 0 BGAERO CC[NH2+][C@@H]1CCSc2c(F)ccc(F)c21 ZINC000035763127 170152688 /nfs/dbraw/zinc/15/26/88/170152688.db2.gz WLGVOIQESFQBKN-SECBINFHSA-N 1 0 229.295 3.111 10 0 BGAERO CC[NH2+][C@H]1CCSc2c(F)ccc(F)c21 ZINC000035763128 170168490 /nfs/dbraw/zinc/16/84/90/170168490.db2.gz WLGVOIQESFQBKN-VIFPVBQESA-N 1 0 229.295 3.111 10 0 BGAERO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](CC)C2CCCC2)C1 ZINC000035765949 171055879 /nfs/dbraw/zinc/05/58/79/171055879.db2.gz FRWACBZKKPEEPD-VHDGCEQUSA-N 1 0 238.419 3.157 10 0 BGAERO CC[C@@H]1CC[C@@H](N)[C@H]([N@H+](CC)C2CCCC2)C1 ZINC000035765953 171041100 /nfs/dbraw/zinc/04/11/00/171041100.db2.gz FRWACBZKKPEEPD-BPLDGKMQSA-N 1 0 238.419 3.157 10 0 BGAERO CC[N@H+](Cc1ccc2c(c1)CCN2)C1CCCC1 ZINC000035766486 169909214 /nfs/dbraw/zinc/90/92/14/169909214.db2.gz LAGWWLJBJJIKEO-UHFFFAOYSA-N 1 0 244.382 3.419 10 0 BGAERO CCN(c1ccccc1C[NH2+]C)C1CCCC1 ZINC000035773075 169944083 /nfs/dbraw/zinc/94/40/83/169944083.db2.gz HFOJSHKUYOGYLR-UHFFFAOYSA-N 1 0 232.371 3.175 10 0 BGAERO Cc1cc(Nc2cnn(C)c2)c2ccccc2[nH+]1 ZINC000035781532 178193171 /nfs/dbraw/zinc/19/31/71/178193171.db2.gz CWPPEDAXZPDEQY-UHFFFAOYSA-N 1 0 238.294 3.020 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1Cn1ccc2ccccc21 ZINC000035785075 173007179 /nfs/dbraw/zinc/00/71/79/173007179.db2.gz XVOUFWJFSTTZOA-CQSZACIVSA-N 1 0 228.339 3.126 10 0 in-vitro BGAERO C[N@@H+]1CCCC[C@H]1Cn1ccc2ccccc21 ZINC000035785078 173009100 /nfs/dbraw/zinc/00/91/00/173009100.db2.gz XVOUFWJFSTTZOA-AWEZNQCLSA-N 1 0 228.339 3.126 10 0 in-vitro BGAERO [NH3+]CCc1c(-c2ccccc2)cn2ccccc12 ZINC000035803795 342783476 /nfs/dbraw/zinc/78/34/76/342783476.db2.gz VONHIMSARXBYOV-UHFFFAOYSA-N 1 0 236.318 3.108 10 0 BGAERO c1ccc(C[NH2+][C@H]2C[C@@H]2c2ccccc2)cc1 ZINC000035807211 183406059 /nfs/dbraw/zinc/40/60/59/183406059.db2.gz MCBSQMCGSGMJHA-CVEARBPZSA-N 1 0 223.319 3.332 10 0 BGAERO [NH3+]C[C@@H]1CC[C@@H](c2cccc3ccccc32)O1 ZINC000035837503 181435747 /nfs/dbraw/zinc/43/57/47/181435747.db2.gz HDLNQDARKJUPIY-WFASDCNBSA-N 1 0 227.307 3.019 10 0 in-vivo BGAERO Fc1cccc([C@H]2[NH2+]CCc3sccc32)c1 ZINC000035933210 181003943 /nfs/dbraw/zinc/00/39/43/181003943.db2.gz YBCMZWJYPPOTSI-CYBMUJFWSA-N 1 0 233.311 3.122 10 0 BGAERO Fc1cccc([C@@H]2[NH2+]CCc3sccc32)c1 ZINC000035933212 181003705 /nfs/dbraw/zinc/00/37/05/181003705.db2.gz YBCMZWJYPPOTSI-ZDUSSCGKSA-N 1 0 233.311 3.122 10 0 BGAERO Cc1cc(O)c(C(C)C)cc1C[NH+]1CCCC1 ZINC000035962913 342811485 /nfs/dbraw/zinc/81/14/85/342811485.db2.gz AMSVOXWQGZMMQC-UHFFFAOYSA-N 1 0 233.355 3.420 10 0 BGAERO [NH3+]C[C@@H]1CC[C@H](c2ccc3ccccc3c2)O1 ZINC000035976212 181437524 /nfs/dbraw/zinc/43/75/24/181437524.db2.gz BVTKYAZPIRQNNS-LSDHHAIUSA-N 1 0 227.307 3.019 10 0 in-vivo BGAERO C[C@@H]1CN(c2ccc3ccccc3c2)[C@H](C)C[NH2+]1 ZINC000035976382 132339968 /nfs/dbraw/zinc/33/99/68/132339968.db2.gz RDYDGIGERJSAHE-CHWSQXEVSA-N 1 0 240.350 3.026 10 0 BGAERO C[C@@H]1CN(c2ccc3ccccc3c2)[C@@H](C)C[NH2+]1 ZINC000035976384 132340029 /nfs/dbraw/zinc/34/00/29/132340029.db2.gz RDYDGIGERJSAHE-OLZOCXBDSA-N 1 0 240.350 3.026 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc2ccccc2c1 ZINC000035976386 132339880 /nfs/dbraw/zinc/33/98/80/132339880.db2.gz RDYDGIGERJSAHE-QWHCGFSZSA-N 1 0 240.350 3.026 10 0 BGAERO C[C@H]1CN(c2ccc3ccccc3c2)[C@@H](C)C[NH2+]1 ZINC000035976388 132340073 /nfs/dbraw/zinc/34/00/73/132340073.db2.gz RDYDGIGERJSAHE-STQMWFEESA-N 1 0 240.350 3.026 10 0 BGAERO [NH3+]CCCCn1cc(Cl)c2ccccc21 ZINC000035994102 181380251 /nfs/dbraw/zinc/38/02/51/181380251.db2.gz DOLXTOYQYGBRET-UHFFFAOYSA-N 1 0 222.719 3.034 10 0 BGAERO C[C@H](c1ccccc1)[N@@H+]1[C@H]2CC[C@@H]1C(=O)CCC2 ZINC000035994259 342821641 /nfs/dbraw/zinc/82/16/41/342821641.db2.gz NEGVTFZDBOCVIM-BPLDGKMQSA-N 1 0 243.350 3.334 10 0 BGAERO Cc1cc(N)c2ccc(OC(F)(F)F)cc2[nH+]1 ZINC000036075617 178103772 /nfs/dbraw/zinc/10/37/72/178103772.db2.gz HDOLVNOQDHEOAR-UHFFFAOYSA-N 1 0 242.200 3.024 10 0 BGAERO [NH3+]CCc1cccc(Sc2ccccc2)c1 ZINC000036093366 384277547 /nfs/dbraw/zinc/27/75/47/384277547.db2.gz FJLQSSVQBNJTEU-UHFFFAOYSA-N 1 0 229.348 3.339 10 0 in-vivo BGAERO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@H](O)CC ZINC000036097442 169174065 /nfs/dbraw/zinc/17/40/65/169174065.db2.gz MBGVZAJNLFSWJN-MRXNPFEDSA-N 1 0 249.398 3.286 10 0 BGAERO CCC[N@@H+](Cc1cc(C)ccc1C)C[C@@H](O)CC ZINC000036097444 169173231 /nfs/dbraw/zinc/17/32/31/169173231.db2.gz MBGVZAJNLFSWJN-INIZCTEOSA-N 1 0 249.398 3.286 10 0 BGAERO Cc1cccc(C[N@@H+](C[C@H](O)C(C)C)C(C)C)c1 ZINC000036098718 179071691 /nfs/dbraw/zinc/07/16/91/179071691.db2.gz OJKCJHYAFQYXEK-INIZCTEOSA-N 1 0 249.398 3.222 10 0 BGAERO Cc1cccc(C[N@@H+](C[C@@H](O)C(C)C)C(C)C)c1 ZINC000036098720 179071507 /nfs/dbraw/zinc/07/15/07/179071507.db2.gz OJKCJHYAFQYXEK-MRXNPFEDSA-N 1 0 249.398 3.222 10 0 BGAERO CC[NH2+]CCc1ccc(Cl)c(Cl)c1 ZINC000036154457 170117338 /nfs/dbraw/zinc/11/73/38/170117338.db2.gz DJYHZTUACGKBIU-UHFFFAOYSA-N 1 0 218.127 3.145 10 0 BGAERO CC[NH2+]CCc1c(Cl)cccc1Cl ZINC000036154459 170117548 /nfs/dbraw/zinc/11/75/48/170117548.db2.gz WICOYHCLMUJONJ-UHFFFAOYSA-N 1 0 218.127 3.145 10 0 BGAERO [NH3+]CCCCCc1ccc(Cl)s1 ZINC000036157528 181374739 /nfs/dbraw/zinc/37/47/39/181374739.db2.gz RTAQMTPAKQPKNC-UHFFFAOYSA-N 1 0 203.738 3.073 10 0 BGAERO CCCCc1ccc(CCCC[NH3+])cc1 ZINC000036157820 169020619 /nfs/dbraw/zinc/02/06/19/169020619.db2.gz LYQPXRPPJNNBLJ-UHFFFAOYSA-N 1 0 205.345 3.311 10 0 BGAERO CCCc1ccc(CCCCC[NH3+])cc1 ZINC000036157825 169570951 /nfs/dbraw/zinc/57/09/51/169570951.db2.gz FRMATAAXCCDZQS-UHFFFAOYSA-N 1 0 205.345 3.311 10 0 BGAERO CC[C@H](C)c1ccc(CCCC[NH3+])cc1 ZINC000036157832 171410407 /nfs/dbraw/zinc/41/04/07/171410407.db2.gz FOWURLKZQYNYHN-LBPRGKRZSA-N 1 0 205.345 3.482 10 0 BGAERO Cc1cc(C)c(CCCCC[NH3+])c(C)c1 ZINC000036157843 177855746 /nfs/dbraw/zinc/85/57/46/177855746.db2.gz YKJQEJCGXOQROJ-UHFFFAOYSA-N 1 0 205.345 3.283 10 0 BGAERO C[NH2+]CCCCc1c(C)cc(C)cc1C ZINC000036157846 173346003 /nfs/dbraw/zinc/34/60/03/173346003.db2.gz ZIYWUJWRQVIAQP-UHFFFAOYSA-N 1 0 205.345 3.154 10 0 BGAERO CCCC[C@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000036158237 360683365 /nfs/dbraw/zinc/68/33/65/360683365.db2.gz ZZAZAVJPKPYJFN-LBPRGKRZSA-N 1 0 207.317 3.194 10 0 BGAERO CCCC[C@@H]([NH3+])c1ccc(OC)c(C)c1 ZINC000036158239 360683159 /nfs/dbraw/zinc/68/31/59/360683159.db2.gz ZZAZAVJPKPYJFN-GFCCVEGCSA-N 1 0 207.317 3.194 10 0 BGAERO CC[C@H]([NH3+])c1cc(C(C)C)ccc1OC ZINC000036158336 387801587 /nfs/dbraw/zinc/80/15/87/387801587.db2.gz CGXLHINUQODWFM-LBPRGKRZSA-N 1 0 207.317 3.228 10 0 BGAERO CC[C@@H]([NH3+])c1cc(C(C)C)ccc1OC ZINC000036158339 387801131 /nfs/dbraw/zinc/80/11/31/387801131.db2.gz CGXLHINUQODWFM-GFCCVEGCSA-N 1 0 207.317 3.228 10 0 BGAERO CCC[C@@H]([NH3+])c1cc(C)c(OC)cc1C ZINC000036158389 169393295 /nfs/dbraw/zinc/39/32/95/169393295.db2.gz OWLGHGMWKYBUFF-GFCCVEGCSA-N 1 0 207.317 3.112 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]([NH3+])C(C)C ZINC000036159040 175121718 /nfs/dbraw/zinc/12/17/18/175121718.db2.gz YBOOBVYJPKHNNG-NSHDSACASA-N 1 0 213.708 3.004 10 0 BGAERO COc1ccc(Cl)cc1[C@H]([NH3+])C(C)C ZINC000036159044 175123067 /nfs/dbraw/zinc/12/30/67/175123067.db2.gz YBOOBVYJPKHNNG-LLVKDONJSA-N 1 0 213.708 3.004 10 0 BGAERO CCC[C@H]([NH3+])c1cc(Cl)ccc1OC ZINC000036159046 360683039 /nfs/dbraw/zinc/68/30/39/360683039.db2.gz YQVSTWFOOIDORK-JTQLQIEISA-N 1 0 213.708 3.149 10 0 BGAERO CCC[C@@H]([NH3+])c1cc(Cl)ccc1OC ZINC000036159050 169393201 /nfs/dbraw/zinc/39/32/01/169393201.db2.gz YQVSTWFOOIDORK-SNVBAGLBSA-N 1 0 213.708 3.149 10 0 BGAERO CCCCc1ccc(-c2c[nH]c(N)[nH+]2)cc1 ZINC000036159258 169018948 /nfs/dbraw/zinc/01/89/48/169018948.db2.gz JQSKXYHIURJECV-UHFFFAOYSA-N 1 0 215.300 3.002 10 0 BGAERO [NH3+]CCCCCc1ccc2c(c1)CCCC2 ZINC000036159587 181375132 /nfs/dbraw/zinc/37/51/32/181375132.db2.gz CBILGUBPOFIPRL-UHFFFAOYSA-N 1 0 217.356 3.237 10 0 BGAERO C[NH2+]CCCCc1ccc(CC(C)C)cc1 ZINC000036160084 173346168 /nfs/dbraw/zinc/34/61/68/173346168.db2.gz SXYQJWJHIYHBDZ-UHFFFAOYSA-N 1 0 219.372 3.427 10 0 BGAERO CCC(CC)[C@H]([NH3+])c1cc(C)ccc1OC ZINC000036160657 168407072 /nfs/dbraw/zinc/40/70/72/168407072.db2.gz FRQOUHVTCZSUTL-AWEZNQCLSA-N 1 0 221.344 3.440 10 0 BGAERO COc1ccc(CCCC[NH3+])cc1C(C)C ZINC000036160796 175089369 /nfs/dbraw/zinc/08/93/69/175089369.db2.gz GDJPXJHRAGHZKR-UHFFFAOYSA-N 1 0 221.344 3.100 10 0 BGAERO COc1ccc(C(C)C)cc1CCCC[NH3+] ZINC000036160816 175069280 /nfs/dbraw/zinc/06/92/80/175069280.db2.gz ASXFOHLKSUSUHM-UHFFFAOYSA-N 1 0 221.344 3.100 10 0 BGAERO COc1cc(C)c([C@@H]([NH3+])CC(C)C)cc1C ZINC000036160869 174961190 /nfs/dbraw/zinc/96/11/90/174961190.db2.gz WKJHUPHPSBYVHC-ZDUSSCGKSA-N 1 0 221.344 3.358 10 0 BGAERO COc1ccc(CCCCC[NH3+])cc1Cl ZINC000036161942 175089141 /nfs/dbraw/zinc/08/91/41/175089141.db2.gz QJEHXIRFSDPAOC-UHFFFAOYSA-N 1 0 227.735 3.020 10 0 BGAERO COc1ccc(Cl)cc1CCCCC[NH3+] ZINC000036161947 175120871 /nfs/dbraw/zinc/12/08/71/175120871.db2.gz GRABWFBPTGGFTE-UHFFFAOYSA-N 1 0 227.735 3.020 10 0 BGAERO Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)o2)cc1 ZINC000036162012 178329482 /nfs/dbraw/zinc/32/94/82/178329482.db2.gz PROBUFOJUFDZLR-LBPRGKRZSA-N 1 0 228.295 3.075 10 0 BGAERO Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)o2)cc1 ZINC000036162015 178328756 /nfs/dbraw/zinc/32/87/56/178328756.db2.gz PROBUFOJUFDZLR-GFCCVEGCSA-N 1 0 228.295 3.075 10 0 BGAERO CC[C@H](C)c1ccc(C(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000036162468 171409783 /nfs/dbraw/zinc/40/97/83/171409783.db2.gz LUEWETKWOFUROR-SMDDNHRTSA-N 1 0 231.339 3.135 10 0 BGAERO CCCCc1ccc(C(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000036162920 169020688 /nfs/dbraw/zinc/02/06/88/169020688.db2.gz MWNNLZTXWIIXBT-CQSZACIVSA-N 1 0 233.355 3.195 10 0 BGAERO CCCCc1ccc(C(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000036162922 169020225 /nfs/dbraw/zinc/02/02/25/169020225.db2.gz MWNNLZTXWIIXBT-AWEZNQCLSA-N 1 0 233.355 3.195 10 0 BGAERO CC(C)[C@H]([NH3+])c1ccc(Br)s1 ZINC000036163103 343311155 /nfs/dbraw/zinc/31/11/55/343311155.db2.gz HNBMQFZYQPGQCK-QMMMGPOBSA-N 1 0 234.162 3.166 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc(Br)s1 ZINC000036163111 169393612 /nfs/dbraw/zinc/39/36/12/169393612.db2.gz VSSQYSUHEVMBGC-ZCFIWIBFSA-N 1 0 234.162 3.311 10 0 BGAERO COc1ccc(CCCC[NH3+])cc1C(C)(C)C ZINC000036163526 175089928 /nfs/dbraw/zinc/08/99/28/175089928.db2.gz LMNMURBIFYOMMI-UHFFFAOYSA-N 1 0 235.371 3.274 10 0 BGAERO COc1ccc(C(C)(C)C)cc1CCCC[NH3+] ZINC000036163541 175067090 /nfs/dbraw/zinc/06/70/90/175067090.db2.gz OTBJOBWZSORLFH-UHFFFAOYSA-N 1 0 235.371 3.274 10 0 BGAERO [NH3+]CCCCCc1ccc(Br)cc1 ZINC000036164554 181375563 /nfs/dbraw/zinc/37/55/63/181375563.db2.gz DOEKOMWKPOWLPB-UHFFFAOYSA-N 1 0 242.160 3.121 10 0 BGAERO Cc1ccc(-c2cnc(C3CC[NH2+]CC3)o2)cc1 ZINC000036164615 178329213 /nfs/dbraw/zinc/32/92/13/178329213.db2.gz ZTUMANDHXQHUFL-UHFFFAOYSA-N 1 0 242.322 3.117 10 0 BGAERO Cc1ccc(-c2cnc([C@@H]3CCC[NH2+]3)o2)cc1C ZINC000036164623 178329423 /nfs/dbraw/zinc/32/94/23/178329423.db2.gz OLNVPZXTZRWVFN-ZDUSSCGKSA-N 1 0 242.322 3.383 10 0 BGAERO Cc1ccc(-c2cnc([C@H]3CCC[NH2+]3)o2)cc1C ZINC000036164626 178328832 /nfs/dbraw/zinc/32/88/32/178328832.db2.gz OLNVPZXTZRWVFN-CYBMUJFWSA-N 1 0 242.322 3.383 10 0 BGAERO CCCCc1ccc(-c2cnc(CC[NH3+])o2)cc1 ZINC000036164866 169018917 /nfs/dbraw/zinc/01/89/17/169018917.db2.gz VVIHKLQXEMKRBI-UHFFFAOYSA-N 1 0 244.338 3.185 10 0 BGAERO Cc1cc(C)c(-c2cnc(CCC[NH3+])o2)c(C)c1 ZINC000036164925 177834848 /nfs/dbraw/zinc/83/48/48/177834848.db2.gz IUGADGPRRSUDGB-UHFFFAOYSA-N 1 0 244.338 3.158 10 0 BGAERO C[C@@H]([NH3+])c1nc(-c2ccc3c(c2)CCC3)cs1 ZINC000036164931 175821164 /nfs/dbraw/zinc/82/11/64/175821164.db2.gz YABFVFIVBACTCG-SECBINFHSA-N 1 0 244.363 3.319 10 0 BGAERO CC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2N)C1 ZINC000036168632 170976019 /nfs/dbraw/zinc/97/60/19/170976019.db2.gz TVJFQDJQRIZSRY-LLVKDONJSA-N 1 0 236.334 3.030 10 0 BGAERO CC[C@@H]1CCCN(c2ccccc2[C@@H](C)[NH3+])C1 ZINC000036169813 132340262 /nfs/dbraw/zinc/34/02/62/132340262.db2.gz HPPWJBUIFJUFDX-CHWSQXEVSA-N 1 0 232.371 3.333 10 0 BGAERO CC[C@H]1CCCN(c2ccccc2[C@@H](C)[NH3+])C1 ZINC000036169814 132340211 /nfs/dbraw/zinc/34/02/11/132340211.db2.gz HPPWJBUIFJUFDX-OLZOCXBDSA-N 1 0 232.371 3.333 10 0 BGAERO CC[NH2+]Cc1ccccc1N1CCC[C@@H](CC)C1 ZINC000036170138 132340337 /nfs/dbraw/zinc/34/03/37/132340337.db2.gz PSUKCPQFVKYTBY-CQSZACIVSA-N 1 0 246.398 3.423 10 0 BGAERO CC[NH2+]Cc1ccccc1N1CCC[C@H](CC)C1 ZINC000036170139 132340270 /nfs/dbraw/zinc/34/02/70/132340270.db2.gz PSUKCPQFVKYTBY-AWEZNQCLSA-N 1 0 246.398 3.423 10 0 BGAERO CC[C@@H]1CCCN(c2ccccc2C[NH2+]C)C1 ZINC000036170230 132340386 /nfs/dbraw/zinc/34/03/86/132340386.db2.gz OGJGVNXVSKJAEY-CYBMUJFWSA-N 1 0 232.371 3.032 10 0 BGAERO CC[C@H]1CCCN(c2ccccc2C[NH2+]C)C1 ZINC000036170231 132340334 /nfs/dbraw/zinc/34/03/34/132340334.db2.gz OGJGVNXVSKJAEY-ZDUSSCGKSA-N 1 0 232.371 3.032 10 0 BGAERO CCCCc1ccc([C@H](O)C2CC[NH2+]CC2)cc1 ZINC000036171702 169023718 /nfs/dbraw/zinc/02/37/18/169023718.db2.gz DURYCOXCFBAJCY-INIZCTEOSA-N 1 0 247.382 3.062 10 0 BGAERO CCCCc1ccc([C@@H](O)C2CC[NH2+]CC2)cc1 ZINC000036171703 169023059 /nfs/dbraw/zinc/02/30/59/169023059.db2.gz DURYCOXCFBAJCY-MRXNPFEDSA-N 1 0 247.382 3.062 10 0 BGAERO CC[C@@H](C)c1ccc([C@H](O)C2CC[NH2+]CC2)cc1 ZINC000036171734 170804992 /nfs/dbraw/zinc/80/49/92/170804992.db2.gz YZOGOYAWBSXBGW-WBMJQRKESA-N 1 0 247.382 3.233 10 0 BGAERO CC[C@@H](C)c1ccc([C@@H](O)C2CC[NH2+]CC2)cc1 ZINC000036171738 170805123 /nfs/dbraw/zinc/80/51/23/170805123.db2.gz YZOGOYAWBSXBGW-MLGOLLRUSA-N 1 0 247.382 3.233 10 0 BGAERO CC[C@H](C)c1ccc([C@@H](O)C2CC[NH2+]CC2)cc1 ZINC000036171739 171411400 /nfs/dbraw/zinc/41/14/00/171411400.db2.gz YZOGOYAWBSXBGW-BLLLJJGKSA-N 1 0 247.382 3.233 10 0 BGAERO [NH3+]CCCCCc1ccc(Br)s1 ZINC000036171792 181375047 /nfs/dbraw/zinc/37/50/47/181375047.db2.gz IFVAUDLCCCJVEZ-UHFFFAOYSA-N 1 0 248.189 3.182 10 0 BGAERO C[NH2+]CCCCc1ccc(Br)s1 ZINC000036171800 173346341 /nfs/dbraw/zinc/34/63/41/173346341.db2.gz HDRSHDMVQKKMNI-UHFFFAOYSA-N 1 0 248.189 3.053 10 0 BGAERO Cc1cc(Oc2ccccc2)ccc1CC[NH3+] ZINC000036192769 178215491 /nfs/dbraw/zinc/21/54/91/178215491.db2.gz UJKNQLHNOXDVBP-UHFFFAOYSA-N 1 0 227.307 3.289 10 0 BGAERO Cc1ccc(OCc2ccccc2)c(CC[NH3+])c1 ZINC000036195054 178816346 /nfs/dbraw/zinc/81/63/46/178816346.db2.gz CGDDKNUTYWRFQK-UHFFFAOYSA-N 1 0 241.334 3.075 10 0 BGAERO CC1CC[NH+](CCC(=O)c2cccs2)CC1 ZINC000036196799 168179820 /nfs/dbraw/zinc/17/98/20/168179820.db2.gz LERXZHOQWBNTFM-UHFFFAOYSA-N 1 0 237.368 3.053 10 0 BGAERO C[C@@H]1CCC[N@H+](CCC(=O)c2cccs2)C1 ZINC000036196802 176096112 /nfs/dbraw/zinc/09/61/12/176096112.db2.gz FEOOUJQGGCECFC-LLVKDONJSA-N 1 0 237.368 3.053 10 0 BGAERO C[C@H]1CCC[N@H+](CCC(=O)c2cccs2)C1 ZINC000036196804 177097420 /nfs/dbraw/zinc/09/74/20/177097420.db2.gz FEOOUJQGGCECFC-NSHDSACASA-N 1 0 237.368 3.053 10 0 BGAERO CCCN(Cc1ccccc1)c1cc[nH+]cc1N ZINC000036197321 169177448 /nfs/dbraw/zinc/17/74/48/169177448.db2.gz PFFPZIFUVCPWQG-UHFFFAOYSA-N 1 0 241.338 3.080 10 0 BGAERO CCC[N@@H+](Cc1cc(F)ccc1N)CC1CC1 ZINC000036197796 169173087 /nfs/dbraw/zinc/17/30/87/169173087.db2.gz PNNNXFLTOXKEPK-UHFFFAOYSA-N 1 0 236.334 3.030 10 0 BGAERO CCC[N@@H+](Cc1cccc(N)c1C)CC1CC1 ZINC000036198135 169176902 /nfs/dbraw/zinc/17/69/02/169176902.db2.gz OCNRSCHOKBWJHA-UHFFFAOYSA-N 1 0 232.371 3.199 10 0 BGAERO Cc1ccc(-c2nc3c(C)cccn3c2N)cc1 ZINC000036222009 178336802 /nfs/dbraw/zinc/33/68/02/178336802.db2.gz XMTRZSHOGHLSAU-UHFFFAOYSA-N 1 0 237.306 3.200 10 0 BGAERO Cc1ccc(-c2nc3cccc(C)n3c2N)cc1 ZINC000036222117 178337733 /nfs/dbraw/zinc/33/77/33/178337733.db2.gz LRQQKZLTMRFKOQ-UHFFFAOYSA-N 1 0 237.306 3.200 10 0 BGAERO Cc1c[nH+]c(NC2CCCCCC2)c(N)c1 ZINC000036226365 179630475 /nfs/dbraw/zinc/63/04/75/179630475.db2.gz YYSBEXGCIAMMBB-UHFFFAOYSA-N 1 0 219.332 3.107 10 0 BGAERO Cc1ccc(N)c(NCc2ccccc2Cl)[nH+]1 ZINC000036226487 178704443 /nfs/dbraw/zinc/70/44/43/178704443.db2.gz MOENQSKUYPYZGT-UHFFFAOYSA-N 1 0 247.729 3.238 10 0 BGAERO CCOCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000036228682 387582717 /nfs/dbraw/zinc/58/27/17/387582717.db2.gz VNHHZHGBZDFERY-BFHYXJOUSA-N 1 0 227.392 3.073 10 0 BGAERO [NH3+]CCCCOc1ccc(-c2ccccc2)cc1 ZINC000036230466 181378759 /nfs/dbraw/zinc/37/87/59/181378759.db2.gz KVIIIHOJCPESNF-UHFFFAOYSA-N 1 0 241.334 3.471 10 0 BGAERO CC[C@@H]([NH3+])c1ccccc1OC[C@H]1CCCCO1 ZINC000036230654 170870515 /nfs/dbraw/zinc/87/05/15/170870515.db2.gz YHUMUQUVOGPHMM-TZMCWYRMSA-N 1 0 249.354 3.044 10 0 BGAERO Cc1cc(N)c[nH+]c1NC1CCCCCC1 ZINC000036241436 188112793 /nfs/dbraw/zinc/11/27/93/188112793.db2.gz YBBBCNFRWDGMBS-UHFFFAOYSA-N 1 0 219.332 3.107 10 0 BGAERO Cc1cc(N)c[nH+]c1N[C@@H](C)c1ccccc1 ZINC000036241455 188112329 /nfs/dbraw/zinc/11/23/29/188112329.db2.gz UXPYXVMKXOKILM-NSHDSACASA-N 1 0 227.311 3.145 10 0 BGAERO Cc1cc(N)c[nH+]c1NCc1ccccc1Cl ZINC000036241510 187259360 /nfs/dbraw/zinc/25/93/60/187259360.db2.gz IZDALFUKSJLDCR-UHFFFAOYSA-N 1 0 247.729 3.238 10 0 BGAERO Cc1c(-c2ccccc2)[nH+]c2c(C)cc(N)cn12 ZINC000036241645 178108095 /nfs/dbraw/zinc/10/80/95/178108095.db2.gz OGQWXCDUOUNIHF-UHFFFAOYSA-N 1 0 237.306 3.200 10 0 BGAERO Cc1cc(NC2CCCCCCC2)[nH+]cc1N ZINC000036244980 178154823 /nfs/dbraw/zinc/15/48/23/178154823.db2.gz ITUOGUWZMBITDM-UHFFFAOYSA-N 1 0 233.359 3.497 10 0 BGAERO Cc1cc(NC2CCCCCC2)[nH+]cc1N ZINC000036244983 178155091 /nfs/dbraw/zinc/15/50/91/178155091.db2.gz GYSCRHNRKATVBE-UHFFFAOYSA-N 1 0 219.332 3.107 10 0 BGAERO Cc1cc(N[C@@H](C)c2ccccc2)[nH+]cc1N ZINC000036244993 178179388 /nfs/dbraw/zinc/17/93/88/178179388.db2.gz RVWUDKBUGXVWJJ-NSHDSACASA-N 1 0 227.311 3.145 10 0 BGAERO Cc1cc(N[C@H](C)c2ccccc2)[nH+]cc1N ZINC000036244994 178187984 /nfs/dbraw/zinc/18/79/84/178187984.db2.gz RVWUDKBUGXVWJJ-LLVKDONJSA-N 1 0 227.311 3.145 10 0 BGAERO Cc1cc(NCCC2=CCCCC2)[nH+]cc1N ZINC000036245017 178158071 /nfs/dbraw/zinc/15/80/71/178158071.db2.gz CKIRRSWTTRKACT-UHFFFAOYSA-N 1 0 231.343 3.275 10 0 BGAERO Cc1cc(NCc2ccc(Cl)cc2)[nH+]cc1N ZINC000036245020 178171871 /nfs/dbraw/zinc/17/18/71/178171871.db2.gz AXBBONDMCDOSRM-UHFFFAOYSA-N 1 0 247.729 3.238 10 0 BGAERO Cc1cc(NCc2ccccc2Cl)[nH+]cc1N ZINC000036245027 178173120 /nfs/dbraw/zinc/17/31/20/178173120.db2.gz HEJFVPKQIYRMMK-UHFFFAOYSA-N 1 0 247.729 3.238 10 0 BGAERO Cc1[nH+]c(NC2CCCCCCC2)ccc1N ZINC000036245057 180015397 /nfs/dbraw/zinc/01/53/97/180015397.db2.gz ODBHOPDWIAOBCL-UHFFFAOYSA-N 1 0 233.359 3.497 10 0 BGAERO Cc1[nH+]c(NC2CCCCCC2)ccc1N ZINC000036245060 180016010 /nfs/dbraw/zinc/01/60/10/180016010.db2.gz QUSJEOKJZVHQRM-UHFFFAOYSA-N 1 0 219.332 3.107 10 0 BGAERO Cc1[nH+]c(N[C@@H](C)c2ccccc2)ccc1N ZINC000036245070 180022796 /nfs/dbraw/zinc/02/27/96/180022796.db2.gz CHNKHFNLVHBFDB-JTQLQIEISA-N 1 0 227.311 3.145 10 0 BGAERO Cc1[nH+]c(N[C@H](C)c2ccccc2)ccc1N ZINC000036245071 180023531 /nfs/dbraw/zinc/02/35/31/180023531.db2.gz CHNKHFNLVHBFDB-SNVBAGLBSA-N 1 0 227.311 3.145 10 0 BGAERO Cc1[nH+]c(NCCC2=CCCCC2)ccc1N ZINC000036245094 180017906 /nfs/dbraw/zinc/01/79/06/180017906.db2.gz WPZBHCNBPVQIRD-UHFFFAOYSA-N 1 0 231.343 3.275 10 0 BGAERO Cc1[nH+]c(NCc2ccc(Cl)cc2)ccc1N ZINC000036245097 180021171 /nfs/dbraw/zinc/02/11/71/180021171.db2.gz ZLLCWBWVMCPHGI-UHFFFAOYSA-N 1 0 247.729 3.238 10 0 BGAERO Cc1[nH+]c(NCc2ccccc2Cl)ccc1N ZINC000036245104 180020216 /nfs/dbraw/zinc/02/02/16/180020216.db2.gz YYFFXVONSJPPAW-UHFFFAOYSA-N 1 0 247.729 3.238 10 0 BGAERO Cc1cc(N(CC(C)C)CC(C)C)[nH+]cc1N ZINC000036250732 178101857 /nfs/dbraw/zinc/10/18/57/178101857.db2.gz LZGVJMWUEOHXNJ-UHFFFAOYSA-N 1 0 235.375 3.091 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2nccs2)cc1C ZINC000036278958 178908120 /nfs/dbraw/zinc/90/81/20/178908120.db2.gz FELMALFDEINEIX-GFCCVEGCSA-N 1 0 232.352 3.002 10 0 BGAERO Cc1ccc([C@@H]([NH3+])Cc2nccs2)cc1C ZINC000036278961 178859546 /nfs/dbraw/zinc/85/95/46/178859546.db2.gz FELMALFDEINEIX-LBPRGKRZSA-N 1 0 232.352 3.002 10 0 BGAERO CC(C)(C)c1csc(C[C@@H]([NH3+])C(C)(C)C)n1 ZINC000036280234 187596044 /nfs/dbraw/zinc/59/60/44/187596044.db2.gz JHGJZIXLNGIWSN-SECBINFHSA-N 1 0 240.416 3.357 10 0 BGAERO Cc1csc(C[C@H]([NH3+])c2ccc(C)cc2)n1 ZINC000036281139 178858958 /nfs/dbraw/zinc/85/89/58/178858958.db2.gz RQTCXIIOOXLLKM-LBPRGKRZSA-N 1 0 232.352 3.002 10 0 BGAERO Cc1csc(C[C@@H]([NH3+])c2ccc(C)c(C)c2)n1 ZINC000036281141 179782199 /nfs/dbraw/zinc/78/21/99/179782199.db2.gz IEMDUTYIGXVHIU-CYBMUJFWSA-N 1 0 246.379 3.311 10 0 BGAERO Cc1csc(C[C@H]([NH3+])c2ccc(C)c(C)c2)n1 ZINC000036281143 179781729 /nfs/dbraw/zinc/78/17/29/179781729.db2.gz IEMDUTYIGXVHIU-ZDUSSCGKSA-N 1 0 246.379 3.311 10 0 BGAERO Cc1ccc(-c2nc3c(cccc3N)[nH]2)cc1 ZINC000036281896 178337517 /nfs/dbraw/zinc/33/75/17/178337517.db2.gz RSZADVMKDJHCAA-UHFFFAOYSA-N 1 0 223.279 3.121 10 0 BGAERO Cc1ccc(-c2nc3c(cccc3N)[nH]2)cc1C ZINC000036281926 178337142 /nfs/dbraw/zinc/33/71/42/178337142.db2.gz AVCKCVRSMHOQRA-UHFFFAOYSA-N 1 0 237.306 3.429 10 0 BGAERO CC(C)c1nc(-c2ccccc2)c(CC[NH3+])s1 ZINC000036291414 188285970 /nfs/dbraw/zinc/28/59/70/188285970.db2.gz DFIANQJCUHSQRQ-UHFFFAOYSA-N 1 0 246.379 3.435 10 0 BGAERO C[C@@H]1C[C@H]2CC=CC[C@]2([NH3+])c2ccccc21 ZINC000036294128 342916030 /nfs/dbraw/zinc/91/60/30/342916030.db2.gz YNGOOJPAPKPVGN-LALPHHSUSA-N 1 0 213.324 3.314 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CCOCC1 ZINC000036319210 262849280 /nfs/dbraw/zinc/84/92/80/262849280.db2.gz MXSSUHZSIPFNNW-VHDGCEQUSA-N 1 0 239.403 3.216 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000036449623 344104277 /nfs/dbraw/zinc/10/42/77/344104277.db2.gz PUUZJUIUNQZUKQ-MNOVXSKESA-N 1 0 240.144 3.044 10 0 BGAERO Clc1ccccc1CC[C@@H]1CCC[NH2+]1 ZINC000036456422 180594790 /nfs/dbraw/zinc/59/47/90/180594790.db2.gz RDZUVXJHPILVKT-NSHDSACASA-N 1 0 209.720 3.025 10 0 BGAERO Clc1ccccc1CC[C@H]1CCC[NH2+]1 ZINC000036456423 180594886 /nfs/dbraw/zinc/59/48/86/180594886.db2.gz RDZUVXJHPILVKT-LLVKDONJSA-N 1 0 209.720 3.025 10 0 BGAERO Cc1cccc(NC2=[NH+]Cc3ccccc3N2)c1 ZINC000036480224 384685155 /nfs/dbraw/zinc/68/51/55/384685155.db2.gz SMJHMKXNJXXTFS-UHFFFAOYSA-N 1 0 237.306 3.198 10 0 BGAERO Cc1ccccc1-c1ccc(C[NH3+])s1 ZINC000036666776 343322204 /nfs/dbraw/zinc/32/22/04/343322204.db2.gz HCPASPKYPNNLFD-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO CCC[NH2+]CCCOc1ccccc1CC ZINC000036669551 169257321 /nfs/dbraw/zinc/25/73/21/169257321.db2.gz QHAHYMWHYBTLRO-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CCC[NH2+]CCCOc1cc(C)ccc1Cl ZINC000036669778 169256743 /nfs/dbraw/zinc/25/67/43/169256743.db2.gz UCFCLDUUSLSTSV-UHFFFAOYSA-N 1 0 241.762 3.417 10 0 BGAERO CC[C@@H]1CO[C@H](c2ccccc2)[C@H](C(C)C)[NH2+]1 ZINC000036672832 171113810 /nfs/dbraw/zinc/11/38/10/171113810.db2.gz KSDAZBULKUXLQU-QLFBSQMISA-N 1 0 233.355 3.151 10 0 BGAERO CC[C@@H]1CO[C@@H](c2ccccc2)[C@H](C(C)C)[NH2+]1 ZINC000036672834 171110183 /nfs/dbraw/zinc/11/01/83/171110183.db2.gz KSDAZBULKUXLQU-ILXRZTDVSA-N 1 0 233.355 3.151 10 0 BGAERO CC[C@@H]1CO[C@H](c2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC000036672840 171113660 /nfs/dbraw/zinc/11/36/60/171113660.db2.gz LTDLWWRJBCZTIO-CABCVRRESA-N 1 0 247.382 3.424 10 0 BGAERO CC[C@@H]1CO[C@@H](c2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC000036672842 171109985 /nfs/dbraw/zinc/10/99/85/171109985.db2.gz LTDLWWRJBCZTIO-HUUCEWRRSA-N 1 0 247.382 3.424 10 0 BGAERO CC[C@H]1CO[C@@H](c2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC000036672843 171673177 /nfs/dbraw/zinc/67/31/77/171673177.db2.gz LTDLWWRJBCZTIO-LSDHHAIUSA-N 1 0 247.382 3.424 10 0 BGAERO CC[C@@H]1CO[C@H](c2ccc(C(C)C)cc2)C[NH2+]1 ZINC000036672940 171113324 /nfs/dbraw/zinc/11/33/24/171113324.db2.gz MCDRUCITRUSDDL-CABCVRRESA-N 1 0 233.355 3.250 10 0 BGAERO CC[C@@H]1CO[C@@H](c2ccc(C(C)C)cc2)C[NH2+]1 ZINC000036672942 171109737 /nfs/dbraw/zinc/10/97/37/171109737.db2.gz MCDRUCITRUSDDL-HUUCEWRRSA-N 1 0 233.355 3.250 10 0 BGAERO CC1(C)CO[C@H](c2ccc3ccccc3c2)C[NH2+]1 ZINC000036673016 167975913 /nfs/dbraw/zinc/97/59/13/167975913.db2.gz RKAPCBKRASEHDB-HNNXBMFYSA-N 1 0 241.334 3.279 10 0 BGAERO C[C@H]1[NH2+]C(C)(C)CO[C@H]1c1ccc(Cl)cc1 ZINC000036673074 188112097 /nfs/dbraw/zinc/11/20/97/188112097.db2.gz GFEWIENSYLJFHP-BXKDBHETSA-N 1 0 239.746 3.168 10 0 BGAERO C[C@H]1[NH2+]C(C)(C)CO[C@@H]1c1ccc(Cl)cc1 ZINC000036673076 187259036 /nfs/dbraw/zinc/25/90/36/187259036.db2.gz GFEWIENSYLJFHP-SKDRFNHKSA-N 1 0 239.746 3.168 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(Cl)cc2Cl)O1 ZINC000036673279 176328534 /nfs/dbraw/zinc/32/85/34/176328534.db2.gz JFENKSDWWLLRIF-HQJQHLMTSA-N 1 0 246.137 3.043 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(Cl)cc2Cl)O1 ZINC000036673280 177285813 /nfs/dbraw/zinc/28/58/13/177285813.db2.gz JFENKSDWWLLRIF-CPCISQLKSA-N 1 0 246.137 3.043 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H](c2cc(Cl)ccc2Cl)O1 ZINC000036673281 176328540 /nfs/dbraw/zinc/32/85/40/176328540.db2.gz WICYYMYWWISWET-RDDDGLTNSA-N 1 0 246.137 3.043 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](c2cc(Cl)ccc2Cl)O1 ZINC000036673285 176329100 /nfs/dbraw/zinc/32/91/00/176329100.db2.gz WICYYMYWWISWET-HQJQHLMTSA-N 1 0 246.137 3.043 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](c2cc(Cl)ccc2Cl)O1 ZINC000036673287 177285767 /nfs/dbraw/zinc/28/57/67/177285767.db2.gz WICYYMYWWISWET-CPCISQLKSA-N 1 0 246.137 3.043 10 0 BGAERO C[C@H]1CO[C@H](c2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000036673519 187249680 /nfs/dbraw/zinc/24/96/80/187249680.db2.gz ZMRSBAOTDBDNBP-CPCISQLKSA-N 1 0 246.137 3.043 10 0 BGAERO C[C@@H]1CO[C@@H](c2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000036673520 187249848 /nfs/dbraw/zinc/24/98/48/187249848.db2.gz ZMRSBAOTDBDNBP-RDDDGLTNSA-N 1 0 246.137 3.043 10 0 BGAERO CCC[NH2+]CCOc1cc(C)c(Cl)c(C)c1 ZINC000036683397 169260162 /nfs/dbraw/zinc/26/01/62/169260162.db2.gz YZCHZYBXXMQSKH-UHFFFAOYSA-N 1 0 241.762 3.335 10 0 BGAERO C[C@@H]1CCC[C@H]([N@@H+]2Cc3ccc(N)cc3C2)[C@@H]1C ZINC000036683565 176141480 /nfs/dbraw/zinc/14/14/80/176141480.db2.gz ORRFONIZYYFJEV-HSMVNMDESA-N 1 0 244.382 3.409 10 0 BGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[N@@H+]1Cc2ccc(N)cc2C1 ZINC000036683566 177135281 /nfs/dbraw/zinc/13/52/81/177135281.db2.gz ORRFONIZYYFJEV-OZVIIMIRSA-N 1 0 244.382 3.409 10 0 BGAERO C[C@@H]1CCC[C@@H]([N@@H+]2Cc3ccc(N)cc3C2)[C@@H]1C ZINC000036683567 176120258 /nfs/dbraw/zinc/12/02/58/176120258.db2.gz ORRFONIZYYFJEV-XHBSWPGZSA-N 1 0 244.382 3.409 10 0 BGAERO C[C@H]1[C@H]([N@@H+]2Cc3ccc(N)cc3C2)CCC[C@@H]1C ZINC000036683568 177121337 /nfs/dbraw/zinc/12/13/37/177121337.db2.gz ORRFONIZYYFJEV-HWWQOWPSSA-N 1 0 244.382 3.409 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@@H+]1Cc2cccc(N)c2C1 ZINC000036683584 176078557 /nfs/dbraw/zinc/07/85/57/176078557.db2.gz DNCJIDYRNJICRH-ABAIWWIYSA-N 1 0 230.355 3.163 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@@H+]1Cc2cccc(N)c2C1 ZINC000036683585 177082197 /nfs/dbraw/zinc/08/21/97/177082197.db2.gz DNCJIDYRNJICRH-NHYWBVRUSA-N 1 0 230.355 3.163 10 0 BGAERO C[C@@H]1CCCC[C@H]1[N@@H+]1Cc2cccc(N)c2C1 ZINC000036683586 176086540 /nfs/dbraw/zinc/08/65/40/176086540.db2.gz DNCJIDYRNJICRH-IAQYHMDHSA-N 1 0 230.355 3.163 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@@H+]1Cc2cccc(N)c2C1 ZINC000036683587 177087076 /nfs/dbraw/zinc/08/70/76/177087076.db2.gz DNCJIDYRNJICRH-XHDPSFHLSA-N 1 0 230.355 3.163 10 0 BGAERO Cc1cccc(CC[C@H]([NH3+])C(C)(C)C)c1 ZINC000036683891 179062355 /nfs/dbraw/zinc/06/23/55/179062355.db2.gz RWJNGLFUSQKUJT-ZDUSSCGKSA-N 1 0 205.345 3.301 10 0 BGAERO Cc1cccc(CC[C@@H]([NH3+])C(C)(C)C)c1 ZINC000036683892 179061398 /nfs/dbraw/zinc/06/13/98/179061398.db2.gz RWJNGLFUSQKUJT-CYBMUJFWSA-N 1 0 205.345 3.301 10 0 BGAERO COc1cccc(CC[C@@H]([NH3+])C(C)(C)C)c1 ZINC000036683917 175253378 /nfs/dbraw/zinc/25/33/78/175253378.db2.gz POBRBLTXOZTBEQ-CYBMUJFWSA-N 1 0 221.344 3.001 10 0 BGAERO COc1cccc(CC[C@H]([NH3+])C(C)(C)C)c1 ZINC000036683918 175253222 /nfs/dbraw/zinc/25/32/22/175253222.db2.gz POBRBLTXOZTBEQ-ZDUSSCGKSA-N 1 0 221.344 3.001 10 0 BGAERO CC[C@H]([NH3+])CCc1ccc(Br)cc1 ZINC000036683943 347437580 /nfs/dbraw/zinc/43/75/80/347437580.db2.gz DPRSNTLCJXDGEF-NSHDSACASA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@@H]([NH3+])CCc1ccc(Br)cc1 ZINC000036683944 388256905 /nfs/dbraw/zinc/25/69/05/388256905.db2.gz DPRSNTLCJXDGEF-LLVKDONJSA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@H]([NH3+])CCc1cccc(Br)c1 ZINC000036683945 388256854 /nfs/dbraw/zinc/25/68/54/388256854.db2.gz FTTRLJHXQKMLKH-NSHDSACASA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@@H]([NH3+])CCc1cccc(Br)c1 ZINC000036683946 388256870 /nfs/dbraw/zinc/25/68/70/388256870.db2.gz FTTRLJHXQKMLKH-LLVKDONJSA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@H]([NH3+])CCc1ccccc1Br ZINC000036683967 342910284 /nfs/dbraw/zinc/91/02/84/342910284.db2.gz LTQVZTUSBNMLQQ-JTQLQIEISA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@@H]([NH3+])CCc1ccccc1Br ZINC000036683968 388256858 /nfs/dbraw/zinc/25/68/58/388256858.db2.gz LTQVZTUSBNMLQQ-SNVBAGLBSA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@@H]([NH3+])CCc1ccc(Br)s1 ZINC000036683974 170864307 /nfs/dbraw/zinc/86/43/07/170864307.db2.gz UKBYBFNDEXLULH-SSDOTTSWSA-N 1 0 248.189 3.181 10 0 BGAERO Cc1ccc(O[C@@H]2C[C@H](C)CC[C@@H]2[NH3+])cc1C ZINC000036697411 178818774 /nfs/dbraw/zinc/81/87/74/178818774.db2.gz YPQAVUSGPHFJOQ-WKPIXPDZSA-N 1 0 233.355 3.198 10 0 BGAERO Cc1ccc(O[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])cc1C ZINC000036697413 178818568 /nfs/dbraw/zinc/81/85/68/178818568.db2.gz YPQAVUSGPHFJOQ-NZVBXONLSA-N 1 0 233.355 3.198 10 0 BGAERO COc1ccc(N)cc1C[N@H+](C)C1CCCCC1 ZINC000036722229 187259371 /nfs/dbraw/zinc/25/93/71/187259371.db2.gz YABTVPSJPVJPPK-UHFFFAOYSA-N 1 0 248.370 3.042 10 0 BGAERO COc1ccc(N)cc1C[NH+]1CCCCCCC1 ZINC000036722244 188112179 /nfs/dbraw/zinc/11/21/79/188112179.db2.gz PFXBUAQYLLGNCE-UHFFFAOYSA-N 1 0 248.370 3.044 10 0 BGAERO C[NH2+]Cc1nc2cc(C(F)(F)F)ccc2s1 ZINC000036722509 173396680 /nfs/dbraw/zinc/39/66/80/173396680.db2.gz FPGMXYZTBWGFLB-UHFFFAOYSA-N 1 0 246.257 3.035 10 0 BGAERO COc1ccccc1C[C@@H]([NH3+])c1ccc(C)s1 ZINC000036723648 175332934 /nfs/dbraw/zinc/33/29/34/175332934.db2.gz FLVIMHVYXBIRDR-GFCCVEGCSA-N 1 0 247.363 3.308 10 0 BGAERO COc1ccccc1C[C@H]([NH3+])c1ccc(C)s1 ZINC000036723650 175334031 /nfs/dbraw/zinc/33/40/31/175334031.db2.gz FLVIMHVYXBIRDR-LBPRGKRZSA-N 1 0 247.363 3.308 10 0 BGAERO Cc1cccc(N(CCC[NH3+])C2CCCC2)c1 ZINC000036730427 179119673 /nfs/dbraw/zinc/11/96/73/179119673.db2.gz SMKSODRPSZHFGM-UHFFFAOYSA-N 1 0 232.371 3.093 10 0 BGAERO Cc1ccccc1N(CCC[NH3+])C1CCCCC1 ZINC000036730506 179295998 /nfs/dbraw/zinc/29/59/98/179295998.db2.gz IXJZLEFEGKBIFY-UHFFFAOYSA-N 1 0 246.398 3.483 10 0 BGAERO C[NH2+]CCCc1nc2cc(C(C)(C)C)ccc2o1 ZINC000036749688 173350636 /nfs/dbraw/zinc/35/06/36/173350636.db2.gz LMKNMUUJCMVNCK-UHFFFAOYSA-N 1 0 246.354 3.277 10 0 BGAERO [NH3+]Cc1ccc(COc2ccc(F)c(F)c2)cc1 ZINC000036749842 181482743 /nfs/dbraw/zinc/48/27/43/181482743.db2.gz JYOUKVYVXMYUAN-UHFFFAOYSA-N 1 0 249.260 3.003 10 0 BGAERO C[NH2+]Cc1ccccc1Oc1ccc(F)c(F)c1 ZINC000036750123 173390277 /nfs/dbraw/zinc/39/02/77/173390277.db2.gz OOJIIRZXJQLKEU-UHFFFAOYSA-N 1 0 249.260 3.477 10 0 BGAERO C[NH2+]Cc1ccc(Oc2ccc(F)c(F)c2)cc1 ZINC000036750128 173389017 /nfs/dbraw/zinc/38/90/17/173389017.db2.gz GUWJIXJMDHMQAR-UHFFFAOYSA-N 1 0 249.260 3.477 10 0 BGAERO CC[C@H](C)C[C@@]([NH3+])(CC)c1noc(C(C)C)n1 ZINC000036763903 171296150 /nfs/dbraw/zinc/29/61/50/171296150.db2.gz GEQJZEPHVYTBDB-GWCFXTLKSA-N 1 0 239.363 3.193 10 0 BGAERO CC[C@H](C)C[C@]([NH3+])(CC)c1noc(C(C)C)n1 ZINC000036763908 171298906 /nfs/dbraw/zinc/29/89/06/171298906.db2.gz GEQJZEPHVYTBDB-GXFFZTMASA-N 1 0 239.363 3.193 10 0 BGAERO CC(C)c1nc(C2([NH3+])CCCCCCC2)no1 ZINC000036763972 167660182 /nfs/dbraw/zinc/66/01/82/167660182.db2.gz YJTYHXXGVGCBBA-UHFFFAOYSA-N 1 0 237.347 3.091 10 0 BGAERO CC[NH2+]Cc1cc(C)c(OCC2CC2)c(C)c1 ZINC000036765185 170125090 /nfs/dbraw/zinc/12/50/90/170125090.db2.gz PDIPPTPDNOZZTG-UHFFFAOYSA-N 1 0 233.355 3.202 10 0 BGAERO Cc1cc(C[NH2+]C2CC2)cc(C)c1OCC1CC1 ZINC000036765188 178018390 /nfs/dbraw/zinc/01/83/90/178018390.db2.gz YRRJUYUTRXBHAZ-UHFFFAOYSA-N 1 0 245.366 3.344 10 0 BGAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OCC1CC1 ZINC000036765294 170140765 /nfs/dbraw/zinc/14/07/65/170140765.db2.gz ITTLIZAQVSEJTD-LBPRGKRZSA-N 1 0 233.355 3.454 10 0 BGAERO CC[NH2+][C@H](C)c1cc(C)ccc1OCC1CC1 ZINC000036765295 170159475 /nfs/dbraw/zinc/15/94/75/170159475.db2.gz ITTLIZAQVSEJTD-GFCCVEGCSA-N 1 0 233.355 3.454 10 0 BGAERO C[NH2+]Cc1c(OCC2CC2)ccc2ccccc21 ZINC000036765299 173385058 /nfs/dbraw/zinc/38/50/58/173385058.db2.gz DOLUOFYARFRHDN-UHFFFAOYSA-N 1 0 241.334 3.348 10 0 BGAERO CN1c2ccccc2Sc2cc(C[NH3+])ccc21 ZINC000036765599 132342522 /nfs/dbraw/zinc/34/25/22/132342522.db2.gz NKPQRXCSKAKCLW-UHFFFAOYSA-N 1 0 242.347 3.378 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(C)cc2)c(F)c1 ZINC000036766328 188112077 /nfs/dbraw/zinc/11/20/77/188112077.db2.gz HLLHYMXFQMXLTD-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(C)cc2)c(F)c1 ZINC000036766329 175192567 /nfs/dbraw/zinc/19/25/67/175192567.db2.gz HLLHYMXFQMXLTD-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])Cc2ccccc2)c(F)c1 ZINC000036766350 175191551 /nfs/dbraw/zinc/19/15/51/175191551.db2.gz MQJXRIHDCCHFBA-OAHLLOKOSA-N 1 0 245.297 3.077 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCCC2)c(F)c1 ZINC000036766402 175191135 /nfs/dbraw/zinc/19/11/35/175191135.db2.gz XPUIFEABWLQSMF-CQSZACIVSA-N 1 0 237.318 3.414 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCCC2)c(F)c1 ZINC000036766403 175178960 /nfs/dbraw/zinc/17/89/60/175178960.db2.gz XPUIFEABWLQSMF-AWEZNQCLSA-N 1 0 237.318 3.414 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2F)c(F)c1 ZINC000036766406 175192727 /nfs/dbraw/zinc/19/27/27/175192727.db2.gz ZJRZQRAEVQFAAH-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2F)c(F)c1 ZINC000036766407 175180212 /nfs/dbraw/zinc/18/02/12/175180212.db2.gz ZJRZQRAEVQFAAH-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccc(F)c2)c(F)c1 ZINC000036766416 175192794 /nfs/dbraw/zinc/19/27/94/175192794.db2.gz GCBOWPKLRJJDPU-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccc(F)c2)c(F)c1 ZINC000036766417 175180290 /nfs/dbraw/zinc/18/02/90/175180290.db2.gz GCBOWPKLRJJDPU-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cccc(C)c2)c(F)c1 ZINC000036766430 175180310 /nfs/dbraw/zinc/18/03/10/175180310.db2.gz IKXMQYRXPQXMFA-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cccc(C)c2)c(F)c1 ZINC000036766431 175192786 /nfs/dbraw/zinc/19/27/86/175192786.db2.gz IKXMQYRXPQXMFA-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccc(F)cc2)c(F)c1 ZINC000036766446 175192872 /nfs/dbraw/zinc/19/28/72/175192872.db2.gz AGHKTKHAQDMBRZ-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccc(F)cc2)c(F)c1 ZINC000036766447 175180395 /nfs/dbraw/zinc/18/03/95/175180395.db2.gz AGHKTKHAQDMBRZ-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2C)c(F)c1 ZINC000036766470 175180224 /nfs/dbraw/zinc/18/02/24/175180224.db2.gz JSYYWHFPTAZOFK-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2C)c(F)c1 ZINC000036766471 175192693 /nfs/dbraw/zinc/19/26/93/175192693.db2.gz JSYYWHFPTAZOFK-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCCC2)c(F)c1 ZINC000036766472 175190674 /nfs/dbraw/zinc/19/06/74/175190674.db2.gz HRPSSTHJAPYIIQ-CYBMUJFWSA-N 1 0 223.291 3.024 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCCC2)c(F)c1 ZINC000036766473 175179480 /nfs/dbraw/zinc/17/94/80/175179480.db2.gz HRPSSTHJAPYIIQ-ZDUSSCGKSA-N 1 0 223.291 3.024 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2cc(C)oc2C)c(F)c1 ZINC000036766508 188112091 /nfs/dbraw/zinc/11/20/91/188112091.db2.gz TWUXCDKVXIVFEK-CQSZACIVSA-N 1 0 249.285 3.092 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cc(C)oc2C)c(F)c1 ZINC000036766509 175192687 /nfs/dbraw/zinc/19/26/87/175192687.db2.gz TWUXCDKVXIVFEK-AWEZNQCLSA-N 1 0 249.285 3.092 10 0 BGAERO CCCCC[C@H]([NH3+])c1ccc(OC)cc1F ZINC000036766546 347454475 /nfs/dbraw/zinc/45/44/75/347454475.db2.gz MIMAIHGCGFNVEM-ZDUSSCGKSA-N 1 0 225.307 3.414 10 0 BGAERO CCCCC[C@@H]([NH3+])c1ccc(OC)cc1F ZINC000036766547 347454851 /nfs/dbraw/zinc/45/48/51/347454851.db2.gz MIMAIHGCGFNVEM-CYBMUJFWSA-N 1 0 225.307 3.414 10 0 BGAERO COc1ccc([C@@H]([NH3+])CCC(C)C)c(F)c1 ZINC000036766564 347455199 /nfs/dbraw/zinc/45/51/99/347455199.db2.gz FCACGQVWLJUWDD-ZDUSSCGKSA-N 1 0 225.307 3.270 10 0 BGAERO COc1ccc([C@H]([NH3+])CCC(C)C)c(F)c1 ZINC000036766565 347454308 /nfs/dbraw/zinc/45/43/08/347454308.db2.gz FCACGQVWLJUWDD-CYBMUJFWSA-N 1 0 225.307 3.270 10 0 BGAERO C[NH2+][C@H](c1ccc(OC)cc1F)C1CCCC1 ZINC000036766721 173457050 /nfs/dbraw/zinc/45/70/50/173457050.db2.gz VLALKMVOLWBDIE-AWEZNQCLSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1F)C1CCC1 ZINC000036767027 170148522 /nfs/dbraw/zinc/14/85/22/170148522.db2.gz GLUXSCBHEIDXOR-CQSZACIVSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1F)C1CCC1 ZINC000036767028 170164098 /nfs/dbraw/zinc/16/40/98/170164098.db2.gz GLUXSCBHEIDXOR-AWEZNQCLSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1F)[C@@H]1C[C@@H]1C ZINC000036767033 170148583 /nfs/dbraw/zinc/14/85/83/170148583.db2.gz WSINQUJNCLIGKZ-BHYNMZESSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1F)[C@@H]1C[C@@H]1C ZINC000036767034 170163840 /nfs/dbraw/zinc/16/38/40/170163840.db2.gz WSINQUJNCLIGKZ-MRCXROJRSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@@H](c1ccc(OC)cc1F)[C@H]1C[C@@H]1C ZINC000036767035 170148450 /nfs/dbraw/zinc/14/84/50/170148450.db2.gz WSINQUJNCLIGKZ-WFBYXXMGSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@H](c1ccc(OC)cc1F)[C@H]1C[C@@H]1C ZINC000036767036 170164084 /nfs/dbraw/zinc/16/40/84/170164084.db2.gz WSINQUJNCLIGKZ-DUFXMDAXSA-N 1 0 237.318 3.141 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc(OC)cc1F ZINC000036767045 170149398 /nfs/dbraw/zinc/14/93/98/170149398.db2.gz GIWPIPGWCSODOW-AWEZNQCLSA-N 1 0 249.285 3.126 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc(OC)cc1F ZINC000036767046 170165089 /nfs/dbraw/zinc/16/50/89/170165089.db2.gz GIWPIPGWCSODOW-CQSZACIVSA-N 1 0 249.285 3.126 10 0 BGAERO COc1ccc([C@H]([NH3+])C2CCC2)c(Cl)c1 ZINC000036767679 175191013 /nfs/dbraw/zinc/19/10/13/175191013.db2.gz SESMNNVFTBQPRC-GFCCVEGCSA-N 1 0 225.719 3.149 10 0 BGAERO COc1ccc([C@@H]([NH3+])C2CCC2)c(Cl)c1 ZINC000036767681 175178868 /nfs/dbraw/zinc/17/88/68/175178868.db2.gz SESMNNVFTBQPRC-LBPRGKRZSA-N 1 0 225.719 3.149 10 0 BGAERO CC[C@@H]([NH3+])Cc1ccc2cc(OC)ccc2c1 ZINC000036778989 170865881 /nfs/dbraw/zinc/86/58/81/170865881.db2.gz JLMMNPHQEFUGJL-CQSZACIVSA-N 1 0 229.323 3.128 10 0 BGAERO CC[C@H]([NH3+])[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000036779472 385534694 /nfs/dbraw/zinc/53/46/94/385534694.db2.gz FTCJONLHTYIKLB-JKSUJKDBSA-N 1 0 241.334 3.124 10 0 BGAERO CC[C@@H]([NH3+])[C@H](O)c1ccc(-c2ccccc2)cc1 ZINC000036779473 385535463 /nfs/dbraw/zinc/53/54/63/385535463.db2.gz FTCJONLHTYIKLB-HZPDHXFCSA-N 1 0 241.334 3.124 10 0 BGAERO CC[C@H]([NH3+])[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000036779474 385535042 /nfs/dbraw/zinc/53/50/42/385535042.db2.gz FTCJONLHTYIKLB-HOTGVXAUSA-N 1 0 241.334 3.124 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](O)c1ccc(-c2ccccc2)cc1 ZINC000036779475 385535499 /nfs/dbraw/zinc/53/54/99/385535499.db2.gz FTCJONLHTYIKLB-CVEARBPZSA-N 1 0 241.334 3.124 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)[C@@H](C)C1CC1 ZINC000036786000 170128311 /nfs/dbraw/zinc/12/83/11/170128311.db2.gz YWUXVMUWOKRNSP-LBPRGKRZSA-N 1 0 232.371 3.031 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)[C@H](C)C1CC1 ZINC000036786001 170128708 /nfs/dbraw/zinc/12/87/08/170128708.db2.gz YWUXVMUWOKRNSP-GFCCVEGCSA-N 1 0 232.371 3.031 10 0 BGAERO CCC[NH2+]Cc1ccccc1N(C)[C@H](C)C1CC1 ZINC000036786069 169268286 /nfs/dbraw/zinc/26/82/86/169268286.db2.gz GMXUTWAPYFROPQ-CYBMUJFWSA-N 1 0 246.398 3.421 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1N(C)[C@@H](C)C1CC1 ZINC000036786070 167120210 /nfs/dbraw/zinc/12/02/10/167120210.db2.gz FTBPJAJTAUGHAR-ZDUSSCGKSA-N 1 0 246.398 3.419 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1N(C)[C@H](C)C1CC1 ZINC000036786071 167121157 /nfs/dbraw/zinc/12/11/57/167121157.db2.gz FTBPJAJTAUGHAR-CYBMUJFWSA-N 1 0 246.398 3.419 10 0 BGAERO CC(C)[C@@H](C)[N@H+](C)C1(CN)CCCCCCC1 ZINC000036786979 167366460 /nfs/dbraw/zinc/36/64/60/167366460.db2.gz NJKYDXQTXALMLY-CQSZACIVSA-N 1 0 240.435 3.405 10 0 BGAERO CC(C)[C@H](C)[N@H+](C)C1(CN)CCCCCCC1 ZINC000036786980 187259389 /nfs/dbraw/zinc/25/93/89/187259389.db2.gz NJKYDXQTXALMLY-AWEZNQCLSA-N 1 0 240.435 3.405 10 0 BGAERO Cc1ccc([C@@H](N)C[N@@H+](C)[C@@H](C)C(C)C)cc1C ZINC000036787154 178857603 /nfs/dbraw/zinc/85/76/03/178857603.db2.gz NEXQKJILDGMDAR-HOCLYGCPSA-N 1 0 248.414 3.280 10 0 BGAERO CC(C)[C@@H](C)N(C)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000036787503 167370610 /nfs/dbraw/zinc/37/06/10/167370610.db2.gz KEALPBMCNBWMOL-GHMZBOCLSA-N 1 0 238.350 3.326 10 0 BGAERO CC(C)[C@H](C)N(C)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000036787504 188286635 /nfs/dbraw/zinc/28/66/35/188286635.db2.gz KEALPBMCNBWMOL-MNOVXSKESA-N 1 0 238.350 3.326 10 0 BGAERO CC(C)[C@@H](C)N(C)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000036787507 167371472 /nfs/dbraw/zinc/37/14/72/167371472.db2.gz JOPZRBQZDJFIAT-GHMZBOCLSA-N 1 0 238.350 3.326 10 0 BGAERO CC(C)[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCN2 ZINC000036787583 167368927 /nfs/dbraw/zinc/36/89/27/167368927.db2.gz HJYGYRJAFJSOPU-GFCCVEGCSA-N 1 0 232.371 3.131 10 0 BGAERO CC(C)[C@H](C)[N@H+](C)Cc1ccc2c(c1)CCN2 ZINC000036787584 188286649 /nfs/dbraw/zinc/28/66/49/188286649.db2.gz HJYGYRJAFJSOPU-LBPRGKRZSA-N 1 0 232.371 3.131 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)[C@@H](C)C(C)C ZINC000036787766 170128015 /nfs/dbraw/zinc/12/80/15/170128015.db2.gz PNQVMXQYPMQGNJ-ZDUSSCGKSA-N 1 0 234.387 3.277 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)[C@H](C)C(C)C ZINC000036787767 170128035 /nfs/dbraw/zinc/12/80/35/170128035.db2.gz PNQVMXQYPMQGNJ-CYBMUJFWSA-N 1 0 234.387 3.277 10 0 BGAERO C[NH2+]Cc1cc(F)ccc1N(C)[C@H](C)C(C)C ZINC000036787768 173387390 /nfs/dbraw/zinc/38/73/90/173387390.db2.gz UUKRLERWHMSKPR-LLVKDONJSA-N 1 0 238.350 3.026 10 0 BGAERO C[NH2+]Cc1cc(F)ccc1N(C)[C@@H](C)C(C)C ZINC000036787769 173387631 /nfs/dbraw/zinc/38/76/31/173387631.db2.gz UUKRLERWHMSKPR-NSHDSACASA-N 1 0 238.350 3.026 10 0 BGAERO CC(C)[C@H](C)N(C)c1ccccc1C[NH2+]C1CC1 ZINC000036787866 187259352 /nfs/dbraw/zinc/25/93/52/187259352.db2.gz ZWCBBRNMCMYKST-ZDUSSCGKSA-N 1 0 246.398 3.419 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H](CN)c1ccc(C)cc1C ZINC000036788674 168369205 /nfs/dbraw/zinc/36/92/05/168369205.db2.gz FYLFWKGFFFKMIU-INIZCTEOSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)[N@H+](C)[C@H](CN)c1ccc(C)cc1C ZINC000036788675 168368661 /nfs/dbraw/zinc/36/86/61/168368661.db2.gz FYLFWKGFFFKMIU-MRXNPFEDSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)[N@H+](C)C1(CN)CCC(CC)CC1 ZINC000036788828 168515087 /nfs/dbraw/zinc/51/50/87/168515087.db2.gz KOZVFHJRBHPHTD-UHFFFAOYSA-N 1 0 240.435 3.405 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H](CN)c1ccccc1C ZINC000036788845 168369184 /nfs/dbraw/zinc/36/91/84/168369184.db2.gz MNAKJNSJSBAHGW-HNNXBMFYSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)[C@H](CN)c1ccccc1C ZINC000036788846 168369038 /nfs/dbraw/zinc/36/90/38/168369038.db2.gz MNAKJNSJSBAHGW-OAHLLOKOSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H](CN)c1ccc(C)cc1 ZINC000036788847 168369401 /nfs/dbraw/zinc/36/94/01/168369401.db2.gz BFNHLGWBZQANFJ-HNNXBMFYSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)[C@H](CN)c1ccc(C)cc1 ZINC000036788848 168368838 /nfs/dbraw/zinc/36/88/38/168368838.db2.gz BFNHLGWBZQANFJ-OAHLLOKOSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H](CN)c1cccc(C)c1 ZINC000036788849 168368905 /nfs/dbraw/zinc/36/89/05/168368905.db2.gz AEBHUSZQXNBCGE-HNNXBMFYSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)[C@H](CN)c1cccc(C)c1 ZINC000036788850 168368440 /nfs/dbraw/zinc/36/84/40/168368440.db2.gz AEBHUSZQXNBCGE-OAHLLOKOSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000036788936 168368899 /nfs/dbraw/zinc/36/88/99/168368899.db2.gz NOEHXVAFYDJGDV-CVEARBPZSA-N 1 0 246.398 3.122 10 0 BGAERO CCC(CC)[N@H+](C)[C@H]1CCc2ccccc2[C@@H]1N ZINC000036788937 168369320 /nfs/dbraw/zinc/36/93/20/168369320.db2.gz NOEHXVAFYDJGDV-HOTGVXAUSA-N 1 0 246.398 3.122 10 0 BGAERO CCC(CC)[N@H+](C)C[C@H](N)c1ccc(C)c(C)c1 ZINC000036788946 168369437 /nfs/dbraw/zinc/36/94/37/168369437.db2.gz XJEVTPFZQFTGSS-INIZCTEOSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)[N@H+](C)C[C@@H](N)c1ccc(C)c(C)c1 ZINC000036788947 168369032 /nfs/dbraw/zinc/36/90/32/168369032.db2.gz XJEVTPFZQFTGSS-MRXNPFEDSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)[N@H+](C)C[C@H](N)c1ccccc1C ZINC000036788956 168368667 /nfs/dbraw/zinc/36/86/67/168368667.db2.gz AZPSAVVLBKJRDJ-HNNXBMFYSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)C[C@@H](N)c1ccccc1C ZINC000036788957 168369487 /nfs/dbraw/zinc/36/94/87/168369487.db2.gz AZPSAVVLBKJRDJ-OAHLLOKOSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)C[C@H](N)c1ccc(C)cc1 ZINC000036788988 168369304 /nfs/dbraw/zinc/36/93/04/168369304.db2.gz ZDKFTRYTYKAVLZ-HNNXBMFYSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)C[C@@H](N)c1ccc(C)cc1 ZINC000036788989 168369651 /nfs/dbraw/zinc/36/96/51/168369651.db2.gz ZDKFTRYTYKAVLZ-OAHLLOKOSA-N 1 0 234.387 3.115 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H](C)[C@H](N)c1ccccc1 ZINC000036788992 168368924 /nfs/dbraw/zinc/36/89/24/168368924.db2.gz BWMTZVPMOWSCDT-WFASDCNBSA-N 1 0 234.387 3.195 10 0 BGAERO CCC(CC)[N@H+](C)[C@H](C)[C@H](N)c1ccccc1 ZINC000036788993 168368491 /nfs/dbraw/zinc/36/84/91/168368491.db2.gz BWMTZVPMOWSCDT-DOMZBBRYSA-N 1 0 234.387 3.195 10 0 BGAERO CCC(CC)[N@H+](C)C[C@H](N)c1cc(C)ccc1C ZINC000036789000 168369621 /nfs/dbraw/zinc/36/96/21/168369621.db2.gz YLNUNUGNLNLWAE-INIZCTEOSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)[N@H+](C)C[C@@H](N)c1cc(C)ccc1C ZINC000036789001 168369758 /nfs/dbraw/zinc/36/97/58/168369758.db2.gz YLNUNUGNLNLWAE-MRXNPFEDSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)[N@H+](C)C[C@H](N)c1ccc(C)cc1C ZINC000036789032 168369692 /nfs/dbraw/zinc/36/96/92/168369692.db2.gz RUKDLKKRFAPXES-INIZCTEOSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)[N@H+](C)C[C@@H](N)c1ccc(C)cc1C ZINC000036789033 168369543 /nfs/dbraw/zinc/36/95/43/168369543.db2.gz RUKDLKKRFAPXES-MRXNPFEDSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)N(C)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000036789207 168369081 /nfs/dbraw/zinc/36/90/81/168369081.db2.gz ZCYNDNAAFPTTGU-SNVBAGLBSA-N 1 0 238.350 3.470 10 0 BGAERO CCC(CC)N(C)c1ccc(F)cc1[C@H](C)[NH3+] ZINC000036789208 168369170 /nfs/dbraw/zinc/36/91/70/168369170.db2.gz ZCYNDNAAFPTTGU-JTQLQIEISA-N 1 0 238.350 3.470 10 0 BGAERO CCC(CC)N(C)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000036789211 168369783 /nfs/dbraw/zinc/36/97/83/168369783.db2.gz RKISSVKTKUUNCX-SNVBAGLBSA-N 1 0 238.350 3.470 10 0 BGAERO CCC(CC)N(C)c1cccc(F)c1[C@H](C)[NH3+] ZINC000036789212 168368938 /nfs/dbraw/zinc/36/89/38/168368938.db2.gz RKISSVKTKUUNCX-JTQLQIEISA-N 1 0 238.350 3.470 10 0 BGAERO CCC(CC)N(C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036789289 168368714 /nfs/dbraw/zinc/36/87/14/168368714.db2.gz JHNAHRZIIGLQEQ-YDHLFZDLSA-N 1 0 238.419 3.028 10 0 BGAERO CCC(CC)N(C)C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036789290 168369661 /nfs/dbraw/zinc/36/96/61/168369661.db2.gz JHNAHRZIIGLQEQ-GUTXKFCHSA-N 1 0 238.419 3.028 10 0 BGAERO CCC(CC)[N@H+](C)Cc1ccc2c(c1)CCN2 ZINC000036789312 168368536 /nfs/dbraw/zinc/36/85/36/168368536.db2.gz DQISVABUUROYPU-UHFFFAOYSA-N 1 0 232.371 3.275 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)C(CC)CC ZINC000036789430 170127977 /nfs/dbraw/zinc/12/79/77/170127977.db2.gz FYPUDDKJFHWPTP-UHFFFAOYSA-N 1 0 234.387 3.421 10 0 BGAERO CCC(CC)N(C)c1ccc(F)cc1C[NH2+]C ZINC000036789431 168369632 /nfs/dbraw/zinc/36/96/32/168369632.db2.gz AYLMJJZFGKYUAJ-UHFFFAOYSA-N 1 0 238.350 3.170 10 0 BGAERO CCC[C@@H](C)[N@H+](C)[C@@H](CN)c1ccc(CC)cc1 ZINC000036790184 169366820 /nfs/dbraw/zinc/36/68/20/169366820.db2.gz DSGXTNLAXANFFZ-CJNGLKHVSA-N 1 0 248.414 3.369 10 0 BGAERO CCC[C@@H](C)[N@H+](C)[C@@H](CN)c1ccc(C)cc1C ZINC000036790188 169366325 /nfs/dbraw/zinc/36/63/25/169366325.db2.gz MEOPMFGQWQKVNL-ZBFHGGJFSA-N 1 0 248.414 3.424 10 0 BGAERO CCC[C@@H](C)[N@H+](C)C1(CN)CCC(CC)CC1 ZINC000036790348 169364376 /nfs/dbraw/zinc/36/43/76/169364376.db2.gz RGCOBVAJDGECCB-WLYUNCDWSA-N 1 0 240.435 3.405 10 0 BGAERO CCC[C@@H](C)[N@H+](C)[C@@H](CN)c1ccccc1C ZINC000036790368 169366076 /nfs/dbraw/zinc/36/60/76/169366076.db2.gz HVHYQZLEWMPODY-HIFRSBDPSA-N 1 0 234.387 3.115 10 0 BGAERO CCC[C@@H](C)[N@H+](C)[C@@H](CN)c1ccc(C)cc1 ZINC000036790370 169366429 /nfs/dbraw/zinc/36/64/29/169366429.db2.gz GYBFXRDECVQXHA-HIFRSBDPSA-N 1 0 234.387 3.115 10 0 BGAERO CCC[C@@H](C)[N@H+](C)[C@@H](CN)c1cccc(C)c1 ZINC000036790372 169366053 /nfs/dbraw/zinc/36/60/53/169366053.db2.gz CXZGWKPCNGHNRI-HIFRSBDPSA-N 1 0 234.387 3.115 10 0 BGAERO CCC[C@@H](C)[N@H+](C)C[C@H](N)c1ccc(CC)cc1 ZINC000036790418 169365224 /nfs/dbraw/zinc/36/52/24/169365224.db2.gz ZGUJREPCLYLYMD-CJNGLKHVSA-N 1 0 248.414 3.369 10 0 BGAERO CCC[C@@H](C)[N@H+](C)[C@@H]1CCc2ccccc2[C@@H]1N ZINC000036790420 169366495 /nfs/dbraw/zinc/36/64/95/169366495.db2.gz JGXXOCVVDUPOCN-WQVCFCJDSA-N 1 0 246.398 3.122 10 0 BGAERO CCC[C@@H](C)[N@H+](C)C[C@H](N)c1ccc(C)c(C)c1 ZINC000036790428 169364533 /nfs/dbraw/zinc/36/45/33/169364533.db2.gz BPPFDZZEJIGPRT-ZBFHGGJFSA-N 1 0 248.414 3.424 10 0 BGAERO CCC[C@@H](C)[N@H+](C)C[C@H](N)c1ccccc1C ZINC000036790436 169365775 /nfs/dbraw/zinc/36/57/75/169365775.db2.gz DKUCDDSJZNIPAT-HIFRSBDPSA-N 1 0 234.387 3.115 10 0 BGAERO CCC[C@@H](C)[N@H+](C)C[C@H](N)c1ccc(C)cc1 ZINC000036790468 169365445 /nfs/dbraw/zinc/36/54/45/169365445.db2.gz GKAQPBOWEBCFNY-HIFRSBDPSA-N 1 0 234.387 3.115 10 0 BGAERO CCC[C@@H](C)[N@H+](C)C[C@H](N)c1cc(C)ccc1C ZINC000036790480 169365126 /nfs/dbraw/zinc/36/51/26/169365126.db2.gz UTUHKHMBWDXBNI-ZBFHGGJFSA-N 1 0 248.414 3.424 10 0 BGAERO CCC[C@@H](C)[N@H+](C)C[C@H](N)c1ccc(C)cc1C ZINC000036790512 169365116 /nfs/dbraw/zinc/36/51/16/169365116.db2.gz VKSLWQIFGUIFGH-ZBFHGGJFSA-N 1 0 248.414 3.424 10 0 BGAERO CCC[C@H](C)[N@H+](C)C[C@H](N)c1ccc(C)cc1C ZINC000036790513 169487672 /nfs/dbraw/zinc/48/76/72/169487672.db2.gz VKSLWQIFGUIFGH-HOCLYGCPSA-N 1 0 248.414 3.424 10 0 BGAERO CCC[C@@H](C)N(C)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000036790883 169366392 /nfs/dbraw/zinc/36/63/92/169366392.db2.gz GUHVJYWQFVZFJV-GHMZBOCLSA-N 1 0 238.350 3.470 10 0 BGAERO CCC[C@@H](C)N(C)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000036790890 169366118 /nfs/dbraw/zinc/36/61/18/169366118.db2.gz ARWKCWPZOTUBFN-GHMZBOCLSA-N 1 0 238.350 3.470 10 0 BGAERO CCC[C@@H](C)N(C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036790952 169364646 /nfs/dbraw/zinc/36/46/46/169364646.db2.gz OLSVTZWLFOAIJE-QPSCCSFWSA-N 1 0 238.419 3.028 10 0 BGAERO CCC[C@H](C)N(C)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000036790954 169488192 /nfs/dbraw/zinc/48/81/92/169488192.db2.gz OLSVTZWLFOAIJE-AJNGGQMLSA-N 1 0 238.419 3.028 10 0 BGAERO CCC[C@@H](C)[N@H+](C)Cc1ccc2c(c1)CCN2 ZINC000036790997 169364642 /nfs/dbraw/zinc/36/46/42/169364642.db2.gz FTYGFKQNCQOVPD-GFCCVEGCSA-N 1 0 232.371 3.275 10 0 BGAERO CCC[C@@H](C)N(C)c1ccc(F)cc1C[NH2+]C ZINC000036791304 169366793 /nfs/dbraw/zinc/36/67/93/169366793.db2.gz VHOHJJVAYJITJN-LLVKDONJSA-N 1 0 238.350 3.170 10 0 BGAERO CCC[C@@H](C)N(C)c1cccc(Cl)c1C[NH3+] ZINC000036791350 169366842 /nfs/dbraw/zinc/36/68/42/169366842.db2.gz NOHWOXZFXQQODE-SNVBAGLBSA-N 1 0 240.778 3.424 10 0 BGAERO CCCCC[C@H](C)[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000036792457 168744432 /nfs/dbraw/zinc/74/44/32/168744432.db2.gz LYOPBBDYRMBBIJ-SMDDNHRTSA-N 1 0 249.354 3.384 10 0 BGAERO COC(=O)CC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000036803953 358462467 /nfs/dbraw/zinc/46/24/67/358462467.db2.gz WKWCWDMEFFMZKX-GFCCVEGCSA-N 1 0 249.354 3.024 10 0 BGAERO COC(=O)CC[NH2+][C@@H](C)c1ccc(C(C)C)cc1 ZINC000036803954 358462863 /nfs/dbraw/zinc/46/28/63/358462863.db2.gz WKWCWDMEFFMZKX-LBPRGKRZSA-N 1 0 249.354 3.024 10 0 BGAERO CC[NH2+][C@@H]1COc2cc(Cl)cc(Cl)c21 ZINC000036813950 170153651 /nfs/dbraw/zinc/15/36/51/170153651.db2.gz GOAQIFHSOXLFSL-MRVPVSSYSA-N 1 0 232.110 3.036 10 0 BGAERO CC[NH2+][C@H]1COc2cc(Cl)cc(Cl)c21 ZINC000036813952 170168809 /nfs/dbraw/zinc/16/88/09/170168809.db2.gz GOAQIFHSOXLFSL-QMMMGPOBSA-N 1 0 232.110 3.036 10 0 BGAERO CCC[NH2+]CCOc1cc(Cl)cc(Cl)c1 ZINC000036814603 169260786 /nfs/dbraw/zinc/26/07/86/169260786.db2.gz STPPYMLOLFOVRU-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccsc1 ZINC000036822733 175082324 /nfs/dbraw/zinc/08/23/24/175082324.db2.gz PHZBVVJLKBEDIK-CYBMUJFWSA-N 1 0 233.336 3.113 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccsc1 ZINC000036822734 175079808 /nfs/dbraw/zinc/07/98/08/175079808.db2.gz PHZBVVJLKBEDIK-ZDUSSCGKSA-N 1 0 233.336 3.113 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccc(C)cc1 ZINC000036822803 175079867 /nfs/dbraw/zinc/07/98/67/175079867.db2.gz ZIOPFIZHNWAZKD-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccc(C)cc1 ZINC000036822804 175082097 /nfs/dbraw/zinc/08/20/97/175082097.db2.gz ZIOPFIZHNWAZKD-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])C(C)(C)C ZINC000036822823 175082149 /nfs/dbraw/zinc/08/21/49/175082149.db2.gz STSSSGKYOQDRTJ-LBPRGKRZSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])C(C)(C)C ZINC000036822824 175080546 /nfs/dbraw/zinc/08/05/46/175080546.db2.gz STSSSGKYOQDRTJ-GFCCVEGCSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1cccs1 ZINC000036822859 175082244 /nfs/dbraw/zinc/08/22/44/175082244.db2.gz RPQFJCNWIOPGDJ-ZDUSSCGKSA-N 1 0 233.336 3.113 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cccs1 ZINC000036822860 175079762 /nfs/dbraw/zinc/07/97/62/175079762.db2.gz RPQFJCNWIOPGDJ-CYBMUJFWSA-N 1 0 233.336 3.113 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1cc(C)oc1C ZINC000036822867 175082522 /nfs/dbraw/zinc/08/25/22/175082522.db2.gz QGMRVRSTXXTDSD-OAHLLOKOSA-N 1 0 245.322 3.262 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cc(C)oc1C ZINC000036822868 175080073 /nfs/dbraw/zinc/08/00/73/175080073.db2.gz QGMRVRSTXXTDSD-HNNXBMFYSA-N 1 0 245.322 3.262 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccc(F)cc1 ZINC000036822907 175082240 /nfs/dbraw/zinc/08/22/40/175082240.db2.gz DKONQMUVQHPELM-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000036822908 175079910 /nfs/dbraw/zinc/07/99/10/175079910.db2.gz DKONQMUVQHPELM-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cccc(C)c1 ZINC000036822921 175079969 /nfs/dbraw/zinc/07/99/69/175079969.db2.gz DSUADANYWOYCSF-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1cccc(C)c1 ZINC000036822922 175082601 /nfs/dbraw/zinc/08/26/01/175082601.db2.gz DSUADANYWOYCSF-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1cccc(F)c1 ZINC000036822935 175081837 /nfs/dbraw/zinc/08/18/37/175081837.db2.gz DNUOHKXITKKEBL-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1cccc(F)c1 ZINC000036822936 175080167 /nfs/dbraw/zinc/08/01/67/175080167.db2.gz DNUOHKXITKKEBL-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccccc1F ZINC000036822941 175082405 /nfs/dbraw/zinc/08/24/05/175082405.db2.gz UBJGMSNLGLUHTL-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccccc1F ZINC000036822942 175080134 /nfs/dbraw/zinc/08/01/34/175080134.db2.gz UBJGMSNLGLUHTL-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2[nH]1 ZINC000036830730 169393379 /nfs/dbraw/zinc/39/33/79/169393379.db2.gz SOUUBARZRSWDPT-MRVPVSSYSA-N 1 0 223.707 3.016 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2ccccc2s1 ZINC000036830757 169394232 /nfs/dbraw/zinc/39/42/32/169394232.db2.gz FVSKBFCFOGLNRE-MRVPVSSYSA-N 1 0 206.314 3.096 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2cc(F)ccc2s1 ZINC000036830771 169393748 /nfs/dbraw/zinc/39/37/48/169393748.db2.gz PVXLCNCYPLDTJB-MRVPVSSYSA-N 1 0 224.304 3.235 10 0 BGAERO CC[NH2+]C1CC(c2ccccc2Cl)C1 ZINC000036840759 347881826 /nfs/dbraw/zinc/88/18/26/347881826.db2.gz VTYGNDZQXZVNPO-UHFFFAOYSA-N 1 0 209.720 3.196 10 0 BGAERO CC[NH2+]C1CC(c2ccc(Cl)cc2)C1 ZINC000036840766 347882119 /nfs/dbraw/zinc/88/21/19/347882119.db2.gz YYQYTIZUUSCRAX-UHFFFAOYSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@H](C)C[C@](CC)(CN)[N@@H+]1CCC[C@H](C)C1 ZINC000036849304 171299462 /nfs/dbraw/zinc/29/94/62/171299462.db2.gz BTAFPCYAJAKMNO-SOUVJXGZSA-N 1 0 240.435 3.262 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])[C@H](Oc2ccc3c(c2)CCC3)C1 ZINC000036850267 176229000 /nfs/dbraw/zinc/22/90/00/176229000.db2.gz OZBXDHVUJXEECC-XFBWCDHKSA-N 1 0 245.366 3.070 10 0 BGAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2ccc3c(c2)CCC3)C1 ZINC000036850271 176208244 /nfs/dbraw/zinc/20/82/44/176208244.db2.gz OZBXDHVUJXEECC-HFBAOOFYSA-N 1 0 245.366 3.070 10 0 BGAERO Cc1cccc(O[C@@H]2C[C@H](C)CC[C@@H]2[NH3+])c1C ZINC000036850459 179174639 /nfs/dbraw/zinc/17/46/39/179174639.db2.gz CPBWNYNCTZAZPI-RIEGTJTDSA-N 1 0 233.355 3.198 10 0 BGAERO Cc1cccc(O[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])c1C ZINC000036850461 179175273 /nfs/dbraw/zinc/17/52/73/179175273.db2.gz CPBWNYNCTZAZPI-VZJVUDMVSA-N 1 0 233.355 3.198 10 0 BGAERO CCCCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000036851844 343325324 /nfs/dbraw/zinc/32/53/24/343325324.db2.gz NAWSYGPXYAMDFO-CYBMUJFWSA-N 1 0 219.328 3.159 10 0 BGAERO CCCCC[NH2+][C@H]1CCc2c1cccc2O ZINC000036851845 343325403 /nfs/dbraw/zinc/32/54/03/343325403.db2.gz NAWSYGPXYAMDFO-ZDUSSCGKSA-N 1 0 219.328 3.159 10 0 BGAERO Oc1cccc2c1CC[C@@H]2[NH2+]CC1CCCC1 ZINC000036852712 183295721 /nfs/dbraw/zinc/29/57/21/183295721.db2.gz SSJADTCDMFKDDZ-AWEZNQCLSA-N 1 0 231.339 3.159 10 0 BGAERO Oc1cccc2c1CC[C@H]2[NH2+]CC1CCCC1 ZINC000036852714 183295512 /nfs/dbraw/zinc/29/55/12/183295512.db2.gz SSJADTCDMFKDDZ-CQSZACIVSA-N 1 0 231.339 3.159 10 0 BGAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](Oc2ccccc2C)C1 ZINC000036858407 171055870 /nfs/dbraw/zinc/05/58/70/171055870.db2.gz KBYMUMGQUDRWRR-VNHYZAJKSA-N 1 0 233.355 3.280 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](Oc2ccccc2C)C1 ZINC000036858410 171040499 /nfs/dbraw/zinc/04/04/99/171040499.db2.gz KBYMUMGQUDRWRR-UMVBOHGHSA-N 1 0 233.355 3.280 10 0 BGAERO CCN(c1ccccc1C)[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000036865932 169944000 /nfs/dbraw/zinc/94/40/00/169944000.db2.gz QTRPNFOGNRVAAH-IVMMDQJWSA-N 1 0 246.398 3.337 10 0 BGAERO C[C@@H]1CCc2ccccc2N1C[C@H]([NH3+])C(C)(C)C ZINC000036866172 132342770 /nfs/dbraw/zinc/34/27/70/132342770.db2.gz RZUVBVOPPWPAOY-DOMZBBRYSA-N 1 0 246.398 3.201 10 0 BGAERO C[C@H]1CCc2ccccc2N1C[C@H]([NH3+])C(C)(C)C ZINC000036866173 132342735 /nfs/dbraw/zinc/34/27/35/132342735.db2.gz RZUVBVOPPWPAOY-WFASDCNBSA-N 1 0 246.398 3.201 10 0 BGAERO Cc1[nH]c([C@H](C)[NH3+])nc1-c1cccc(Cl)c1 ZINC000036872241 180046661 /nfs/dbraw/zinc/04/66/61/180046661.db2.gz WGYQAUHMAHUVOR-ZETCQYMHSA-N 1 0 235.718 3.058 10 0 BGAERO CC[C@H]([NH3+])c1nc(-c2ccccc2Cl)c[nH]1 ZINC000036872474 171491916 /nfs/dbraw/zinc/49/19/16/171491916.db2.gz OTCABZZTMDVEPX-JTQLQIEISA-N 1 0 235.718 3.140 10 0 BGAERO CCCCc1ccc(NC(=O)[C@H]([NH3+])CCC)cc1 ZINC000036873208 169022237 /nfs/dbraw/zinc/02/22/37/169022237.db2.gz NHHRCZIUZWACJH-CQSZACIVSA-N 1 0 248.370 3.095 10 0 BGAERO CCCCc1ccc(NC(=O)[C@@H]([NH3+])CCC)cc1 ZINC000036873209 169021937 /nfs/dbraw/zinc/02/19/37/169021937.db2.gz NHHRCZIUZWACJH-AWEZNQCLSA-N 1 0 248.370 3.095 10 0 BGAERO CCC[C@H]([NH3+])c1nc(-c2ccc(C)s2)c[nH]1 ZINC000036873757 169505139 /nfs/dbraw/zinc/50/51/39/169505139.db2.gz HDDNIEZHUAMLKW-VIFPVBQESA-N 1 0 235.356 3.247 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(-c2ccc(C)s2)c[nH]1 ZINC000036873758 169394106 /nfs/dbraw/zinc/39/41/06/169394106.db2.gz HDDNIEZHUAMLKW-SECBINFHSA-N 1 0 235.356 3.247 10 0 BGAERO C[C@@H]([C@H](N)c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000036874704 177315107 /nfs/dbraw/zinc/31/51/07/177315107.db2.gz NGMUAMXIEOJVDW-FQLMCAECSA-N 1 0 246.398 3.053 10 0 BGAERO Cc1ccccc1[C@@H](N)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000036874804 179325160 /nfs/dbraw/zinc/32/51/60/179325160.db2.gz GPHUWTMKEXUIGH-LZWOXQAQSA-N 1 0 246.398 3.258 10 0 BGAERO CCC(C)(C)[C@@H]1CC[C@H]([NH3+])[C@H](n2ccnc2C)C1 ZINC000036875254 168303785 /nfs/dbraw/zinc/30/37/85/168303785.db2.gz AIIRMIYPIKAHOE-HZSPNIEDSA-N 1 0 249.402 3.296 10 0 BGAERO CCC(C)(C)[C@@H]1CC[C@@H]([NH3+])[C@H](n2ccnc2C)C1 ZINC000036875256 168304113 /nfs/dbraw/zinc/30/41/13/168304113.db2.gz AIIRMIYPIKAHOE-MGPQQGTHSA-N 1 0 249.402 3.296 10 0 BGAERO Cc1[nH]c([C@@H]2CCCC[NH2+]2)nc1-c1ccccc1 ZINC000036876611 343142996 /nfs/dbraw/zinc/14/29/96/343142996.db2.gz LUIDJFBYNDWLIX-ZDUSSCGKSA-N 1 0 241.338 3.200 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1nc(-c2cccs2)c[nH]1 ZINC000036876897 188286369 /nfs/dbraw/zinc/28/63/69/188286369.db2.gz VRBMQGVENIDELT-SECBINFHSA-N 1 0 235.356 3.184 10 0 BGAERO Cc1ccc(-c2c[nH]c([C@H]([NH3+])C(C)C)n2)s1 ZINC000036876946 178318254 /nfs/dbraw/zinc/31/82/54/178318254.db2.gz IEMYRVDENONWDN-LLVKDONJSA-N 1 0 235.356 3.102 10 0 BGAERO Cc1ccc(-c2c[nH]c([C@@H]([NH3+])C(C)C)n2)s1 ZINC000036876947 178318087 /nfs/dbraw/zinc/31/80/87/178318087.db2.gz IEMYRVDENONWDN-NSHDSACASA-N 1 0 235.356 3.102 10 0 BGAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](n2cnc3ccccc32)C1 ZINC000036879367 171055465 /nfs/dbraw/zinc/05/54/65/171055465.db2.gz GDZRBBRGQFXADJ-TYNCELHUSA-N 1 0 243.354 3.115 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](n2cnc3ccccc32)C1 ZINC000036879371 171041030 /nfs/dbraw/zinc/04/10/30/171041030.db2.gz GDZRBBRGQFXADJ-LALPHHSUSA-N 1 0 243.354 3.115 10 0 BGAERO CC(C)CCN(CCC[NH3+])c1cccc(F)c1 ZINC000036883387 166835549 /nfs/dbraw/zinc/83/55/49/166835549.db2.gz DYENUENBDKVWSC-UHFFFAOYSA-N 1 0 238.350 3.027 10 0 BGAERO [NH3+]Cc1ccc(SCc2ccco2)c(F)c1 ZINC000036887038 188285988 /nfs/dbraw/zinc/28/59/88/188285988.db2.gz ZTWCSAWDZYCZCU-UHFFFAOYSA-N 1 0 237.299 3.170 10 0 BGAERO CC(C)CSc1ccc(C[NH3+])cc1F ZINC000036887039 187930908 /nfs/dbraw/zinc/93/09/08/187930908.db2.gz PRFPSVVCTAEHBK-UHFFFAOYSA-N 1 0 213.321 3.033 10 0 BGAERO CC(C)(C)Sc1ccc(C[NH3+])cc1F ZINC000036887050 347956391 /nfs/dbraw/zinc/95/63/91/347956391.db2.gz YMEZJQIDWVOTPV-UHFFFAOYSA-N 1 0 213.321 3.175 10 0 BGAERO CCCn1c2ccccc2nc1[C@H]([NH3+])C(C)C ZINC000036895949 361577465 /nfs/dbraw/zinc/57/74/65/361577465.db2.gz IQKGWBNELXZBTN-CYBMUJFWSA-N 1 0 231.343 3.102 10 0 BGAERO CCCn1c2ccccc2nc1[C@@H]([NH3+])C(C)C ZINC000036895950 361577834 /nfs/dbraw/zinc/57/78/34/361577834.db2.gz IQKGWBNELXZBTN-ZDUSSCGKSA-N 1 0 231.343 3.102 10 0 BGAERO FC(F)Oc1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000036905206 347970806 /nfs/dbraw/zinc/97/08/06/347970806.db2.gz VQERHCRJMUOFFT-NSHDSACASA-N 1 0 227.254 3.103 10 0 BGAERO FC(F)Oc1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000036905207 347970435 /nfs/dbraw/zinc/97/04/35/347970435.db2.gz VQERHCRJMUOFFT-LLVKDONJSA-N 1 0 227.254 3.103 10 0 BGAERO [NH3+]C1(c2c(Cl)cccc2Cl)CCC1 ZINC000036906424 181332952 /nfs/dbraw/zinc/33/29/52/181332952.db2.gz YYUUNOCEQOWASP-UHFFFAOYSA-N 1 0 216.111 3.331 10 0 BGAERO [NH3+]C1(c2ccc(OC(F)F)cc2)CCCCC1 ZINC000036906435 181334242 /nfs/dbraw/zinc/33/42/42/181334242.db2.gz BKVALBLJQIEUHH-UHFFFAOYSA-N 1 0 241.281 3.406 10 0 BGAERO COc1ccc(Cl)cc1C1([NH3+])CCCC1 ZINC000036906447 175120334 /nfs/dbraw/zinc/12/03/34/175120334.db2.gz RJIAANLBZLGCKO-UHFFFAOYSA-N 1 0 225.719 3.077 10 0 BGAERO CCc1ccc(CCC2CC[NH2+]CC2)cc1 ZINC000036906567 171791519 /nfs/dbraw/zinc/79/15/19/171791519.db2.gz HQHIRZZULSUMSV-UHFFFAOYSA-N 1 0 217.356 3.181 10 0 BGAERO CCOc1ccc(CC[C@@H]2CCCC[NH2+]2)cc1 ZINC000036906611 188285667 /nfs/dbraw/zinc/28/56/67/188285667.db2.gz VTTNUVOLKHPZNE-AWEZNQCLSA-N 1 0 233.355 3.160 10 0 BGAERO CCOc1ccc(CC[C@H]2CCCC[NH2+]2)cc1 ZINC000036906612 383921493 /nfs/dbraw/zinc/92/14/93/383921493.db2.gz VTTNUVOLKHPZNE-CQSZACIVSA-N 1 0 233.355 3.160 10 0 BGAERO CCCSc1c(C[NH3+])cnc2ccccc21 ZINC000036913792 169341492 /nfs/dbraw/zinc/34/14/92/169341492.db2.gz YZJZCLJCIQEGKJ-UHFFFAOYSA-N 1 0 232.352 3.196 10 0 BGAERO C[C@@H]1CCC[C@H](OCc2ccccc2C(N)=[NH2+])C1 ZINC000036915142 176145984 /nfs/dbraw/zinc/14/59/84/176145984.db2.gz RVNSMFWRZFBGJI-YPMHNXCESA-N 1 0 246.354 3.066 10 0 BGAERO C[C@H]1CCC[C@H](OCc2ccccc2C(N)=[NH2+])C1 ZINC000036915143 177137842 /nfs/dbraw/zinc/13/78/42/177137842.db2.gz RVNSMFWRZFBGJI-AAEUAGOBSA-N 1 0 246.354 3.066 10 0 BGAERO CCCCCC[C@H](CN)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000036915191 168679425 /nfs/dbraw/zinc/67/94/25/168679425.db2.gz NZFWLXDIRVKQHY-SOUVJXGZSA-N 1 0 240.435 3.262 10 0 BGAERO Cc1nc([C@@H](C)[NH2+][C@@H](C)C(C)C)cs1 ZINC000036915541 180036973 /nfs/dbraw/zinc/03/69/73/180036973.db2.gz RDKIOBQHDMKMGZ-DTWKUNHWSA-N 1 0 212.362 3.147 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@@H](C)C(C)C)cs1 ZINC000036915542 180051932 /nfs/dbraw/zinc/05/19/32/180051932.db2.gz RDKIOBQHDMKMGZ-IUCAKERBSA-N 1 0 212.362 3.147 10 0 BGAERO Cc1nc([C@@H](C)[NH2+][C@H](C)C(C)C)cs1 ZINC000036915543 180038193 /nfs/dbraw/zinc/03/81/93/180038193.db2.gz RDKIOBQHDMKMGZ-RKDXNWHRSA-N 1 0 212.362 3.147 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@H](C)C(C)C)cs1 ZINC000036915544 180050942 /nfs/dbraw/zinc/05/09/42/180050942.db2.gz RDKIOBQHDMKMGZ-BDAKNGLRSA-N 1 0 212.362 3.147 10 0 BGAERO C[NH2+]CCCc1nc2cc(Cl)ccc2s1 ZINC000036925183 173350552 /nfs/dbraw/zinc/35/05/52/173350552.db2.gz LWVKCYZYMSOJLS-UHFFFAOYSA-N 1 0 240.759 3.102 10 0 BGAERO COc1cc(Cl)c([C@H]([NH3+])C(C)C)cc1OC ZINC000036926190 174990347 /nfs/dbraw/zinc/99/03/47/174990347.db2.gz RBZMAFOBTSJVTA-GFCCVEGCSA-N 1 0 243.734 3.013 10 0 BGAERO CCN(CC)c1ccc(C(F)(F)F)cc1C[NH3+] ZINC000036926988 188113457 /nfs/dbraw/zinc/11/34/57/188113457.db2.gz DTMQKGDWCYEFIJ-UHFFFAOYSA-N 1 0 246.276 3.010 10 0 BGAERO CC(C)(C)Oc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000036927025 343328101 /nfs/dbraw/zinc/32/81/01/343328101.db2.gz YOXPWEQSILWSEP-UHFFFAOYSA-N 1 0 247.260 3.341 10 0 BGAERO Cc1ccc(-c2ccc(C[NH3+])s2)cc1 ZINC000036927533 178324610 /nfs/dbraw/zinc/32/46/10/178324610.db2.gz NCJQAUFHFNXMEW-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO [NH3+]Cc1ccc(-c2cccc(F)c2)s1 ZINC000036927631 385589084 /nfs/dbraw/zinc/58/90/84/385589084.db2.gz OJNYBKIJHPGJNY-UHFFFAOYSA-N 1 0 207.273 3.013 10 0 BGAERO [NH3+]Cc1ccc(-c2ccccc2F)s1 ZINC000036927648 385588305 /nfs/dbraw/zinc/58/83/05/385588305.db2.gz HHGCEUVEXIHDGE-UHFFFAOYSA-N 1 0 207.273 3.013 10 0 BGAERO Cc1ccc(-c2ccc(C[NH3+])s2)c(C)c1 ZINC000036927762 178324215 /nfs/dbraw/zinc/32/42/15/178324215.db2.gz MEYSFXJNPFIRIV-UHFFFAOYSA-N 1 0 217.337 3.491 10 0 BGAERO Cc1ccc(-c2ccc(C[NH3+])s2)cc1C ZINC000036927771 178324224 /nfs/dbraw/zinc/32/42/24/178324224.db2.gz AHBHMDXBEGSHRA-UHFFFAOYSA-N 1 0 217.337 3.491 10 0 BGAERO COc1cc2c(c(C(C)(C)C)c1)OCCC[C@@H]2[NH3+] ZINC000036928579 175019610 /nfs/dbraw/zinc/01/96/10/175019610.db2.gz GYFWNXWRPTZACT-ZDUSSCGKSA-N 1 0 249.354 3.165 10 0 BGAERO COc1cc2c(c(C(C)(C)C)c1)OCCC[C@H]2[NH3+] ZINC000036928580 175019720 /nfs/dbraw/zinc/01/97/20/175019720.db2.gz GYFWNXWRPTZACT-CYBMUJFWSA-N 1 0 249.354 3.165 10 0 BGAERO Cc1cc2c(c(C(C)(C)C)c1)OCCC[C@@H]2[NH3+] ZINC000036928589 178281815 /nfs/dbraw/zinc/28/18/15/178281815.db2.gz PYXFSTILPBELLQ-ZDUSSCGKSA-N 1 0 233.355 3.465 10 0 BGAERO Cc1cc2c(c(C(C)(C)C)c1)OCCC[C@H]2[NH3+] ZINC000036928590 178282585 /nfs/dbraw/zinc/28/25/85/178282585.db2.gz PYXFSTILPBELLQ-CYBMUJFWSA-N 1 0 233.355 3.465 10 0 BGAERO Cc1cc2c(c(C(C)(C)C)c1)OCC[C@@H]2[NH3+] ZINC000036928591 178282158 /nfs/dbraw/zinc/28/21/58/178282158.db2.gz LXOHMINLVCGNSE-LBPRGKRZSA-N 1 0 219.328 3.075 10 0 BGAERO Cc1cc2c(c(C(C)(C)C)c1)OCC[C@H]2[NH3+] ZINC000036928592 178281869 /nfs/dbraw/zinc/28/18/69/178281869.db2.gz LXOHMINLVCGNSE-GFCCVEGCSA-N 1 0 219.328 3.075 10 0 BGAERO CCC(C)(C)c1ccc2c(c1)[C@H]([NH3+])CCO2 ZINC000036928613 168305263 /nfs/dbraw/zinc/30/52/63/168305263.db2.gz VRLYXKRZNJSOOD-GFCCVEGCSA-N 1 0 219.328 3.157 10 0 BGAERO CCC(C)(C)c1ccc2c(c1)[C@@H]([NH3+])CCO2 ZINC000036928614 168305141 /nfs/dbraw/zinc/30/51/41/168305141.db2.gz VRLYXKRZNJSOOD-LBPRGKRZSA-N 1 0 219.328 3.157 10 0 BGAERO Cc1c2cccc(Cl)c2oc1[C@@H](C)[NH3+] ZINC000036928741 347965567 /nfs/dbraw/zinc/96/55/67/347965567.db2.gz SOSNSJUVJLYMFY-SSDOTTSWSA-N 1 0 209.676 3.414 10 0 BGAERO Cc1c2cccc(Cl)c2oc1[C@H](C)[NH3+] ZINC000036928742 347965452 /nfs/dbraw/zinc/96/54/52/347965452.db2.gz SOSNSJUVJLYMFY-ZETCQYMHSA-N 1 0 209.676 3.414 10 0 BGAERO Cc1ccc(C)c2c1SCCC[C@H]2[NH3+] ZINC000036928828 347965552 /nfs/dbraw/zinc/96/55/52/347965552.db2.gz MWLAFHRKEMBSRE-SNVBAGLBSA-N 1 0 207.342 3.189 10 0 BGAERO Cc1ccc(C)c2c1SCCC[C@@H]2[NH3+] ZINC000036928829 347965483 /nfs/dbraw/zinc/96/54/83/347965483.db2.gz MWLAFHRKEMBSRE-JTQLQIEISA-N 1 0 207.342 3.189 10 0 BGAERO [NH3+][C@@H]1CCCSc2ccc(Cl)cc21 ZINC000036928832 347965538 /nfs/dbraw/zinc/96/55/38/347965538.db2.gz XPYYUQZHGIKMMD-SECBINFHSA-N 1 0 213.733 3.226 10 0 BGAERO [NH3+][C@H]1CCCSc2ccc(Cl)cc21 ZINC000036928833 347965423 /nfs/dbraw/zinc/96/54/23/347965423.db2.gz XPYYUQZHGIKMMD-VIFPVBQESA-N 1 0 213.733 3.226 10 0 BGAERO Cc1cc(C)c2c(c1)[C@H]([NH3+])CCCS2 ZINC000036928854 347965429 /nfs/dbraw/zinc/96/54/29/347965429.db2.gz SDVDELOMQFALBO-LLVKDONJSA-N 1 0 207.342 3.189 10 0 BGAERO Cc1cc(C)c2c(c1)[C@@H]([NH3+])CCCS2 ZINC000036928855 347965398 /nfs/dbraw/zinc/96/53/98/347965398.db2.gz SDVDELOMQFALBO-NSHDSACASA-N 1 0 207.342 3.189 10 0 BGAERO CC(C)c1ccc2c(c1)[C@@H]([NH3+])CCS2 ZINC000036928861 167624120 /nfs/dbraw/zinc/62/41/20/167624120.db2.gz PFGNJTCLEUXEHW-NSHDSACASA-N 1 0 207.342 3.306 10 0 BGAERO Cc1cc2c(cc1C)[C@@H]([NH3+])CCCS2 ZINC000036928862 347965330 /nfs/dbraw/zinc/96/53/30/347965330.db2.gz GPBHRFYXZYRZIB-NSHDSACASA-N 1 0 207.342 3.189 10 0 BGAERO Cc1cc2c(cc1C)[C@H]([NH3+])CCCS2 ZINC000036928863 347965387 /nfs/dbraw/zinc/96/53/87/347965387.db2.gz GPBHRFYXZYRZIB-LLVKDONJSA-N 1 0 207.342 3.189 10 0 BGAERO COc1ccc2sc([C@@H](C)[NH3+])c(C)c2c1 ZINC000036928921 175232516 /nfs/dbraw/zinc/23/25/16/175232516.db2.gz RPMASMLPSZNXBG-MRVPVSSYSA-N 1 0 221.325 3.238 10 0 BGAERO COc1ccc2sc([C@H](C)[NH3+])c(C)c2c1 ZINC000036928922 175232298 /nfs/dbraw/zinc/23/22/98/175232298.db2.gz RPMASMLPSZNXBG-QMMMGPOBSA-N 1 0 221.325 3.238 10 0 BGAERO Cc1c2cccc(F)c2sc1[C@@H](C)[NH3+] ZINC000036928931 347965884 /nfs/dbraw/zinc/96/58/84/347965884.db2.gz HBEMCAZFSVCGLR-SSDOTTSWSA-N 1 0 209.289 3.369 10 0 BGAERO Cc1c2cccc(F)c2sc1[C@H](C)[NH3+] ZINC000036928932 347966117 /nfs/dbraw/zinc/96/61/17/347966117.db2.gz HBEMCAZFSVCGLR-ZETCQYMHSA-N 1 0 209.289 3.369 10 0 BGAERO Cc1ccc(-c2ccc(C[NH3+])o2)cc1Cl ZINC000036929557 178324372 /nfs/dbraw/zinc/32/43/72/178324372.db2.gz MFLRPTPOIXDYQF-UHFFFAOYSA-N 1 0 221.687 3.367 10 0 BGAERO Cc1c(Cl)cccc1-c1ccc(C[NH3+])o1 ZINC000036929573 359691966 /nfs/dbraw/zinc/69/19/66/359691966.db2.gz QRBHCHSBERUPEO-UHFFFAOYSA-N 1 0 221.687 3.367 10 0 BGAERO Cc1ccc(-c2ccc(C[NH3+])o2)c(C)c1 ZINC000036929577 178324188 /nfs/dbraw/zinc/32/41/88/178324188.db2.gz GUWKSRRIEPQZRY-UHFFFAOYSA-N 1 0 201.269 3.022 10 0 BGAERO Cc1ccc(-c2ccc(C[NH3+])o2)cc1C ZINC000036929578 178324116 /nfs/dbraw/zinc/32/41/16/178324116.db2.gz QXKUCTXBCVCEQT-UHFFFAOYSA-N 1 0 201.269 3.022 10 0 BGAERO [NH3+]Cc1ccc(-c2ccc(F)c(Cl)c2)o1 ZINC000036929593 385239467 /nfs/dbraw/zinc/23/94/67/385239467.db2.gz HJWYQOVLKNOKDF-UHFFFAOYSA-N 1 0 225.650 3.198 10 0 BGAERO CCC[NH2+]Cc1cc(C)nc2ccccc12 ZINC000036947857 169265295 /nfs/dbraw/zinc/26/52/95/169265295.db2.gz METSGTRMQVEWNG-UHFFFAOYSA-N 1 0 214.312 3.043 10 0 BGAERO [NH3+]C1(c2ccc(Cl)c(Cl)c2)CCC1 ZINC000036948413 385592494 /nfs/dbraw/zinc/59/24/94/385592494.db2.gz FWNPWOZPOSIKHM-UHFFFAOYSA-N 1 0 216.111 3.331 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ccc2c(c1)CCCC(=O)N2 ZINC000036949837 187259326 /nfs/dbraw/zinc/25/93/26/187259326.db2.gz UJEHKUUQIGACJG-CQSZACIVSA-N 1 0 246.354 3.007 10 0 BGAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc(Br)cc1 ZINC000036960424 385592059 /nfs/dbraw/zinc/59/20/59/385592059.db2.gz YSPJLGUSCJZGQD-PPKCKEKNSA-N 1 0 240.144 3.105 10 0 BGAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc(Br)cc1 ZINC000036960427 385592067 /nfs/dbraw/zinc/59/20/67/385592067.db2.gz YSPJLGUSCJZGQD-AVPPRXQKSA-N 1 0 240.144 3.105 10 0 BGAERO [NH3+][C@@H](c1csc2ccccc12)C1CC1 ZINC000036960479 347981594 /nfs/dbraw/zinc/98/15/94/347981594.db2.gz GGRONJOCJCVJFB-GFCCVEGCSA-N 1 0 203.310 3.311 10 0 BGAERO [NH3+][C@H](c1csc2ccccc12)C1CC1 ZINC000036960481 347981096 /nfs/dbraw/zinc/98/10/96/347981096.db2.gz GGRONJOCJCVJFB-LBPRGKRZSA-N 1 0 203.310 3.311 10 0 BGAERO CC[C@H]([NH3+])c1cc(Cl)sc1Cl ZINC000036961509 385592360 /nfs/dbraw/zinc/59/23/60/385592360.db2.gz ZOODXNJEHUFUIG-YFKPBYRVSA-N 1 0 210.129 3.465 10 0 BGAERO CC[C@@H]([NH3+])c1cc(Cl)sc1Cl ZINC000036961510 385592142 /nfs/dbraw/zinc/59/21/42/385592142.db2.gz ZOODXNJEHUFUIG-RXMQYKEDSA-N 1 0 210.129 3.465 10 0 BGAERO CC(C)(C)c1cccc(O[C@H]2CCC[C@H]2[NH3+])c1 ZINC000036969955 187259097 /nfs/dbraw/zinc/25/90/97/187259097.db2.gz VFPCMJZAWSMVJR-KGLIPLIRSA-N 1 0 233.355 3.243 10 0 BGAERO Cc1cc(C(C)(C)C)cc2c1OCCC[C@@H]2[NH3+] ZINC000036970019 188113174 /nfs/dbraw/zinc/11/31/74/188113174.db2.gz SVRGLDAVWGMWGN-ZDUSSCGKSA-N 1 0 233.355 3.465 10 0 BGAERO CC[NH2+]CCCOc1cc(C)ccc1Cl ZINC000036985171 170112919 /nfs/dbraw/zinc/11/29/19/170112919.db2.gz VAYCHSKCVSMMIB-UHFFFAOYSA-N 1 0 227.735 3.027 10 0 BGAERO CCC[NH2+]CCOc1cc(C)ccc1Cl ZINC000036985172 169260130 /nfs/dbraw/zinc/26/01/30/169260130.db2.gz CAXZJKMPLKORJC-UHFFFAOYSA-N 1 0 227.735 3.027 10 0 BGAERO CC[C@@H]1CO[C@H](c2ccc(CC(C)C)cc2)C[NH2+]1 ZINC000036986273 171113963 /nfs/dbraw/zinc/11/39/63/171113963.db2.gz GRAGLVJMGRAFHF-CVEARBPZSA-N 1 0 247.382 3.325 10 0 BGAERO CC[C@@H]1CO[C@@H](c2ccc(CC(C)C)cc2)C[NH2+]1 ZINC000036986275 171110111 /nfs/dbraw/zinc/11/01/11/171110111.db2.gz GRAGLVJMGRAFHF-HZPDHXFCSA-N 1 0 247.382 3.325 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000036986440 176329066 /nfs/dbraw/zinc/32/90/66/176329066.db2.gz LIJKHAWVDBAJQJ-HQJQHLMTSA-N 1 0 246.137 3.043 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(Cl)c(Cl)c2)O1 ZINC000036986441 177285236 /nfs/dbraw/zinc/28/52/36/177285236.db2.gz LIJKHAWVDBAJQJ-CPCISQLKSA-N 1 0 246.137 3.043 10 0 BGAERO C[C@H]1CO[C@H](c2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000036986479 177302554 /nfs/dbraw/zinc/30/25/54/177302554.db2.gz XAAPNIJPTFNWNP-CPCISQLKSA-N 1 0 246.137 3.043 10 0 BGAERO CC[C@@H]([NH3+])CCc1ccc(Cl)s1 ZINC000036988358 170864946 /nfs/dbraw/zinc/86/49/46/170864946.db2.gz AJRUALQUMSBXSM-SSDOTTSWSA-N 1 0 203.738 3.071 10 0 BGAERO Cc1nc2ccccc2n1[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000036988463 180103478 /nfs/dbraw/zinc/10/34/78/180103478.db2.gz JNEWGWKXWCFVCJ-IFUGULHKSA-N 1 0 243.354 3.033 10 0 BGAERO Cc1nc2ccccc2n1[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000036988464 180104682 /nfs/dbraw/zinc/10/46/82/180104682.db2.gz JNEWGWKXWCFVCJ-ITDIGPHOSA-N 1 0 243.354 3.033 10 0 BGAERO c1ccc2[nH]c([C@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)nc2c1 ZINC000036988484 383924438 /nfs/dbraw/zinc/92/44/38/383924438.db2.gz FTUQXJHPJLCOIY-UHIISALHSA-N 1 0 241.338 3.156 10 0 BGAERO CC(C)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000036990935 167147822 /nfs/dbraw/zinc/14/78/22/167147822.db2.gz VUOXSPKPSMXHDT-UHFFFAOYSA-N 1 0 218.344 3.103 10 0 BGAERO CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCCCC[NH3+] ZINC000036994016 188286076 /nfs/dbraw/zinc/28/60/76/188286076.db2.gz WLGLZLGQJULZPB-MGPQQGTHSA-N 1 0 227.392 3.203 10 0 BGAERO CCCC[N@H+](C)[C@@H](C(C)C)[C@H](N)c1ccccc1 ZINC000036998769 168782476 /nfs/dbraw/zinc/78/24/76/168782476.db2.gz BFRZKFIKUSGOKS-CVEARBPZSA-N 1 0 248.414 3.443 10 0 BGAERO CCCC[N@H+](C)[C@H](C(C)C)[C@H](N)c1ccccc1 ZINC000036998770 168784955 /nfs/dbraw/zinc/78/49/55/168784955.db2.gz BFRZKFIKUSGOKS-HZPDHXFCSA-N 1 0 248.414 3.443 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OC[C@H]([NH3+])c1ccccc1 ZINC000036998826 176083041 /nfs/dbraw/zinc/08/30/41/176083041.db2.gz YVGFTYVZDCLNLC-SNPRPXQTSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@@H]1CCCC[C@H]1OC[C@H]([NH3+])c1ccccc1 ZINC000036998828 176090351 /nfs/dbraw/zinc/09/03/51/176090351.db2.gz YVGFTYVZDCLNLC-VHDGCEQUSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000037021760 188113052 /nfs/dbraw/zinc/11/30/52/188113052.db2.gz RAPZWMVMTZSMEL-AVPPRXQKSA-N 1 0 229.245 3.361 10 0 BGAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000037021796 176406318 /nfs/dbraw/zinc/40/63/18/176406318.db2.gz SZSOHZJQZIWYDY-WKPIXPDZSA-N 1 0 215.340 3.221 10 0 BGAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccc2c(c1)CCCC2 ZINC000037021798 188113250 /nfs/dbraw/zinc/11/32/50/188113250.db2.gz SZSOHZJQZIWYDY-VCTAVGKDSA-N 1 0 215.340 3.221 10 0 BGAERO CCCOC[C@H]([NH3+])c1ccccc1C(F)(F)F ZINC000037025057 169310010 /nfs/dbraw/zinc/31/00/10/169310010.db2.gz BRODCKTYYAMJKV-NSHDSACASA-N 1 0 247.260 3.132 10 0 BGAERO CCCOC[C@@H]([NH3+])c1ccccc1C(F)(F)F ZINC000037025059 169309456 /nfs/dbraw/zinc/30/94/56/169309456.db2.gz BRODCKTYYAMJKV-LLVKDONJSA-N 1 0 247.260 3.132 10 0 BGAERO CCCOC[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000037025205 169310303 /nfs/dbraw/zinc/31/03/03/169310303.db2.gz XFKFENQMQZVUTC-NSHDSACASA-N 1 0 247.260 3.132 10 0 BGAERO CCCOC[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000037025207 169310080 /nfs/dbraw/zinc/31/00/80/169310080.db2.gz XFKFENQMQZVUTC-LLVKDONJSA-N 1 0 247.260 3.132 10 0 BGAERO C[C@H]([NH3+])c1cc2cccc(Br)c2o1 ZINC000037034704 348018162 /nfs/dbraw/zinc/01/81/62/348018162.db2.gz FHIDWTBZLQUXDB-LURJTMIESA-N 1 0 240.100 3.215 10 0 BGAERO COC(=O)[C@H](C)N[C@H](C)c1ccc(C(C)C)cc1 ZINC000037073957 352548192 /nfs/dbraw/zinc/54/81/92/352548192.db2.gz QXKZGLCUSMJHQN-NEPJUHHUSA-N 1 0 249.354 3.022 10 0 BGAERO CCN(c1cccc(F)c1[C@@H](C)[NH3+])C(C)C ZINC000037082402 169943370 /nfs/dbraw/zinc/94/33/70/169943370.db2.gz CWQHZODXCFMDJC-SNVBAGLBSA-N 1 0 224.323 3.080 10 0 BGAERO CCOc1ccc(N)cc1C[N@H+](C)C1CCCC1 ZINC000037083787 170549205 /nfs/dbraw/zinc/54/92/05/170549205.db2.gz HZNHKGVDNSCJMQ-UHFFFAOYSA-N 1 0 248.370 3.042 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N(C)C1CCCC1 ZINC000037092864 187422648 /nfs/dbraw/zinc/42/26/48/187422648.db2.gz DPCGONWSZXORPZ-LLVKDONJSA-N 1 0 218.344 3.085 10 0 BGAERO CCC[N@H+](CC)[C@](C)(CN)CCc1ccccc1 ZINC000037094799 169132709 /nfs/dbraw/zinc/13/27/09/169132709.db2.gz NSBSHLZNDSPWCE-INIZCTEOSA-N 1 0 248.414 3.069 10 0 BGAERO CCC[N@H+](CC)[C@@](C)(CN)CCc1ccccc1 ZINC000037094800 169132722 /nfs/dbraw/zinc/13/27/22/169132722.db2.gz NSBSHLZNDSPWCE-MRXNPFEDSA-N 1 0 248.414 3.069 10 0 BGAERO CCC[N@H+](CC)[C@@H]1CCCc2ccccc2[C@@H]1N ZINC000037094888 169131143 /nfs/dbraw/zinc/13/11/43/169131143.db2.gz BNGUBZSFECEVQN-CVEARBPZSA-N 1 0 246.398 3.123 10 0 BGAERO CCC[N@H+](CC)[C@H]1CCCc2ccccc2[C@@H]1N ZINC000037094889 169131930 /nfs/dbraw/zinc/13/19/30/169131930.db2.gz BNGUBZSFECEVQN-HOTGVXAUSA-N 1 0 246.398 3.123 10 0 BGAERO CCC[N@H+](CC)C[C@H](N)c1cc2ccccc2o1 ZINC000037094920 169128792 /nfs/dbraw/zinc/12/87/92/169128792.db2.gz TYQVBFMLLVUXCS-ZDUSSCGKSA-N 1 0 246.354 3.165 10 0 BGAERO CCC[N@H+](CC)C[C@@H](N)c1cc2ccccc2o1 ZINC000037094921 169125426 /nfs/dbraw/zinc/12/54/26/169125426.db2.gz TYQVBFMLLVUXCS-CYBMUJFWSA-N 1 0 246.354 3.165 10 0 BGAERO CCC[N@H+](CC)C[C@H](N)c1cc(C)ccc1C ZINC000037094958 169128718 /nfs/dbraw/zinc/12/87/18/169128718.db2.gz NTEMYVQQSATCEV-HNNXBMFYSA-N 1 0 234.387 3.035 10 0 BGAERO CCC[N@H+](CC)C[C@@H](N)c1cc(C)ccc1C ZINC000037094959 169126209 /nfs/dbraw/zinc/12/62/09/169126209.db2.gz NTEMYVQQSATCEV-OAHLLOKOSA-N 1 0 234.387 3.035 10 0 BGAERO CCC[N@H+](CC)C[C@H](N)c1c(C)cc(C)cc1C ZINC000037094960 169129509 /nfs/dbraw/zinc/12/95/09/169129509.db2.gz CZNAEESXPUYHJV-HNNXBMFYSA-N 1 0 248.414 3.344 10 0 BGAERO CCC[N@H+](CC)C[C@@H](N)c1c(C)cc(C)cc1C ZINC000037094961 169124910 /nfs/dbraw/zinc/12/49/10/169124910.db2.gz CZNAEESXPUYHJV-OAHLLOKOSA-N 1 0 248.414 3.344 10 0 BGAERO CCC[N@H+](CC)[C@@H](C(C)C)[C@H](N)c1ccccc1 ZINC000037094970 169132825 /nfs/dbraw/zinc/13/28/25/169132825.db2.gz JXXXXADKZPAIPC-CVEARBPZSA-N 1 0 248.414 3.443 10 0 BGAERO CCC[N@H+](CC)[C@H](C(C)C)[C@H](N)c1ccccc1 ZINC000037094971 169132587 /nfs/dbraw/zinc/13/25/87/169132587.db2.gz JXXXXADKZPAIPC-HZPDHXFCSA-N 1 0 248.414 3.443 10 0 BGAERO CCC[N@H+](C(C)C)[C@@H](CN)c1ccccc1C ZINC000037095797 169048856 /nfs/dbraw/zinc/04/88/56/169048856.db2.gz FWBVLMJAEUYJSU-HNNXBMFYSA-N 1 0 234.387 3.115 10 0 BGAERO CCC[N@H+](C(C)C)[C@H](CN)c1ccccc1C ZINC000037095798 169049063 /nfs/dbraw/zinc/04/90/63/169049063.db2.gz FWBVLMJAEUYJSU-OAHLLOKOSA-N 1 0 234.387 3.115 10 0 BGAERO CCC[N@H+](C[C@H](N)c1ccc(C)cc1)C(C)C ZINC000037095999 169172704 /nfs/dbraw/zinc/17/27/04/169172704.db2.gz WWQYKIPASSQZIN-HNNXBMFYSA-N 1 0 234.387 3.115 10 0 BGAERO CCC[N@H+](C[C@H](N)c1ccc(C)c(C)c1)C(C)C ZINC000037096036 169173831 /nfs/dbraw/zinc/17/38/31/169173831.db2.gz WESHIINKIBQORR-INIZCTEOSA-N 1 0 248.414 3.424 10 0 BGAERO CCCN(c1cccc(F)c1[C@@H](C)[NH3+])C(C)C ZINC000037096313 169182490 /nfs/dbraw/zinc/18/24/90/169182490.db2.gz AVMMOHMJOKBUKV-LLVKDONJSA-N 1 0 238.350 3.470 10 0 BGAERO CCCN(c1ccc(F)cc1[C@@H](C)[NH3+])C(C)C ZINC000037096317 169182300 /nfs/dbraw/zinc/18/23/00/169182300.db2.gz PCINDGIATCCNFQ-LLVKDONJSA-N 1 0 238.350 3.470 10 0 BGAERO CCCN(c1ccc(F)cc1[C@H](C)[NH3+])C(C)C ZINC000037096318 169182621 /nfs/dbraw/zinc/18/26/21/169182621.db2.gz PCINDGIATCCNFQ-NSHDSACASA-N 1 0 238.350 3.470 10 0 BGAERO CCC[N@H+](Cc1ccc2c(c1)CCN2)C(C)C ZINC000037096327 169175490 /nfs/dbraw/zinc/17/54/90/169175490.db2.gz RQYLXOOSUKFULE-UHFFFAOYSA-N 1 0 232.371 3.275 10 0 BGAERO CCC[N@H+](C1CC1)C1(CN)CCCCCCC1 ZINC000037097016 169089430 /nfs/dbraw/zinc/08/94/30/169089430.db2.gz RJFAAYKKEOVDEP-UHFFFAOYSA-N 1 0 238.419 3.303 10 0 BGAERO CCC[N@H+](C[C@H](N)c1ccc(CC)cc1)C1CC1 ZINC000037097176 169173667 /nfs/dbraw/zinc/17/36/67/169173667.db2.gz QDKQQWYFMLABEN-INIZCTEOSA-N 1 0 246.398 3.123 10 0 BGAERO CCC[N@H+](C[C@H](N)c1cc(C)ccc1C)C1CC1 ZINC000037097218 169173119 /nfs/dbraw/zinc/17/31/19/169173119.db2.gz AGQSDMHTOSEJAC-INIZCTEOSA-N 1 0 246.398 3.178 10 0 BGAERO CCC[N@H+](C[C@H](N)c1ccc(C)cc1C)C1CC1 ZINC000037097222 169172787 /nfs/dbraw/zinc/17/27/87/169172787.db2.gz KJWJTJFMYSJDEB-INIZCTEOSA-N 1 0 246.398 3.178 10 0 BGAERO CCC[N@H+](C[C@@H](N)c1ccc(C)cc1C)C1CC1 ZINC000037097223 188113075 /nfs/dbraw/zinc/11/30/75/188113075.db2.gz KJWJTJFMYSJDEB-MRXNPFEDSA-N 1 0 246.398 3.178 10 0 BGAERO CCCN(c1cccc(F)c1[C@@H](C)[NH3+])C1CC1 ZINC000037097444 169182311 /nfs/dbraw/zinc/18/23/11/169182311.db2.gz ABJWIDKVSXWZPT-SNVBAGLBSA-N 1 0 236.334 3.224 10 0 BGAERO CCCN(c1cccc(F)c1[C@H](C)[NH3+])C1CC1 ZINC000037097445 169182813 /nfs/dbraw/zinc/18/28/13/169182813.db2.gz ABJWIDKVSXWZPT-JTQLQIEISA-N 1 0 236.334 3.224 10 0 BGAERO CCCN(c1ccc(F)cc1[C@@H](C)[NH3+])C1CC1 ZINC000037097448 169182439 /nfs/dbraw/zinc/18/24/39/169182439.db2.gz HGISIGRORPYPAI-SNVBAGLBSA-N 1 0 236.334 3.224 10 0 BGAERO CCC[N@H+](Cc1ccc2c(c1)CCCN2)C1CC1 ZINC000037097453 169175264 /nfs/dbraw/zinc/17/52/64/169175264.db2.gz UIOAKNNALLICND-UHFFFAOYSA-N 1 0 244.382 3.419 10 0 BGAERO CCCN(c1cccc(Cl)c1C[NH3+])C1CC1 ZINC000037097587 169182944 /nfs/dbraw/zinc/18/29/44/169182944.db2.gz WOMXNQXCLAKZDD-UHFFFAOYSA-N 1 0 238.762 3.178 10 0 BGAERO CCC[N@H+](C)[C@@H](CN)c1cccc2ccccc21 ZINC000037098152 169086897 /nfs/dbraw/zinc/08/68/97/169086897.db2.gz GVDLQVMUFKGHOE-INIZCTEOSA-N 1 0 242.366 3.181 10 0 BGAERO CCC[N@H+](C)[C@H](CN)c1cccc2ccccc21 ZINC000037098153 169089046 /nfs/dbraw/zinc/08/90/46/169089046.db2.gz GVDLQVMUFKGHOE-MRXNPFEDSA-N 1 0 242.366 3.181 10 0 BGAERO CCC[N@H+](C)C[C@H](N)c1ccc(CC(C)C)cc1 ZINC000037098323 169078664 /nfs/dbraw/zinc/07/86/64/169078664.db2.gz RMPGBWUSIJTTOE-INIZCTEOSA-N 1 0 248.414 3.227 10 0 BGAERO CCC[N@H+](C)C[C@@H](N)c1ccc(CC(C)C)cc1 ZINC000037098324 169078457 /nfs/dbraw/zinc/07/84/57/169078457.db2.gz RMPGBWUSIJTTOE-MRXNPFEDSA-N 1 0 248.414 3.227 10 0 BGAERO CCC[N@H+](C)C[C@H](N)c1ccc2ccccc2c1 ZINC000037098365 169077246 /nfs/dbraw/zinc/07/72/46/169077246.db2.gz HGVOGMASQMSDQG-INIZCTEOSA-N 1 0 242.366 3.181 10 0 BGAERO CCC[N@H+](C)C[C@@H](N)c1ccc2ccccc2c1 ZINC000037098366 169079400 /nfs/dbraw/zinc/07/94/00/169079400.db2.gz HGVOGMASQMSDQG-MRXNPFEDSA-N 1 0 242.366 3.181 10 0 BGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccco1 ZINC000037099659 358065208 /nfs/dbraw/zinc/06/52/08/358065208.db2.gz QXIAVFYSIPNOJS-MNOVXSKESA-N 1 0 247.260 3.490 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000037099875 398301281 /nfs/dbraw/zinc/30/12/81/398301281.db2.gz IXEICOQRVUDEIU-INTQDDNPSA-N 1 0 235.293 3.496 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F)C1CC1 ZINC000037099876 398301367 /nfs/dbraw/zinc/30/13/67/398301367.db2.gz IXEICOQRVUDEIU-DVVUODLYSA-N 1 0 235.293 3.496 10 0 BGAERO CC(C)[NH2+][C@H]1CCCC[C@@H]1C(F)(F)F ZINC000037099964 348020061 /nfs/dbraw/zinc/02/00/61/348020061.db2.gz UJFRNNFCQNKMLM-IUCAKERBSA-N 1 0 209.255 3.106 10 0 BGAERO CC(C)[NH2+][C@@H]1CCCC[C@H]1C(F)(F)F ZINC000037099965 348020003 /nfs/dbraw/zinc/02/00/03/348020003.db2.gz UJFRNNFCQNKMLM-RKDXNWHRSA-N 1 0 209.255 3.106 10 0 BGAERO CC(C)[NH2+][C@H]1CCCC[C@H]1C(F)(F)F ZINC000037099966 348020355 /nfs/dbraw/zinc/02/03/55/348020355.db2.gz UJFRNNFCQNKMLM-BDAKNGLRSA-N 1 0 209.255 3.106 10 0 BGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC1CC1 ZINC000037099995 358064958 /nfs/dbraw/zinc/06/49/58/358064958.db2.gz DJLFIJRQOGBWQX-ZJUUUORDSA-N 1 0 221.266 3.107 10 0 BGAERO CC(C)Nc1ccccc1C[NH+]1CCCC1 ZINC000037105662 167149589 /nfs/dbraw/zinc/14/95/89/167149589.db2.gz CZKXTMSQGVUFFC-UHFFFAOYSA-N 1 0 218.344 3.103 10 0 BGAERO CC[C@@H]([C@H](N)c1ccccc1)[N@H+](C)CC(C)C ZINC000037108391 170950851 /nfs/dbraw/zinc/95/08/51/170950851.db2.gz NBBVRVQBUACCMW-LSDHHAIUSA-N 1 0 234.387 3.053 10 0 BGAERO CC[C@H](C)[N@H+](C)C[C@H](N)c1cc(C)ccc1C ZINC000037110041 171308308 /nfs/dbraw/zinc/30/83/08/171308308.db2.gz OWOQUGHYLHQWJA-ZFWWWQNUSA-N 1 0 234.387 3.034 10 0 BGAERO CC[C@H](C)[N@H+](CC)[C@@H](CN)c1ccc(C)cc1 ZINC000037112600 171311885 /nfs/dbraw/zinc/31/18/85/171311885.db2.gz KCJXWBTXIKKTCX-ZFWWWQNUSA-N 1 0 234.387 3.115 10 0 BGAERO CC[C@H](C)[N@H+](CC)[C@@H](C)[C@H](N)c1ccccc1 ZINC000037112910 171311931 /nfs/dbraw/zinc/31/19/31/171311931.db2.gz MAOYAWAAHYVJPI-YDHLFZDLSA-N 1 0 234.387 3.195 10 0 BGAERO CC[C@H](C)[N@H+](CC)C[C@H](N)c1cc(C)ccc1C ZINC000037112988 171312225 /nfs/dbraw/zinc/31/22/25/171312225.db2.gz QHGIJBOYEHJTCY-HOCLYGCPSA-N 1 0 248.414 3.424 10 0 BGAERO CC[C@H](C)[N@H+](CC)C[C@H](N)c1ccc(C)cc1C ZINC000037112992 171312157 /nfs/dbraw/zinc/31/21/57/171312157.db2.gz NWUQDCAVIACNTE-HOCLYGCPSA-N 1 0 248.414 3.424 10 0 BGAERO CC[C@H](C)[N@H+](CC)CC[C@H](N)c1ccccc1 ZINC000037113396 171312015 /nfs/dbraw/zinc/31/20/15/171312015.db2.gz CMQLSOQYLMWQBO-ZFWWWQNUSA-N 1 0 234.387 3.197 10 0 BGAERO C[NH2+][C@@H](C)c1c(Cl)ccc(F)c1Cl ZINC000037116307 348020955 /nfs/dbraw/zinc/02/09/55/348020955.db2.gz BOPNKESUTMSSJO-YFKPBYRVSA-N 1 0 222.090 3.413 10 0 BGAERO C[NH2+][C@H](C)c1c(Cl)ccc(F)c1Cl ZINC000037116308 348020985 /nfs/dbraw/zinc/02/09/85/348020985.db2.gz BOPNKESUTMSSJO-RXMQYKEDSA-N 1 0 222.090 3.413 10 0 BGAERO COc1ccc([C@H]([NH3+])C(C)(C)C)cc1C ZINC000037117067 175190833 /nfs/dbraw/zinc/19/08/33/175190833.db2.gz DGAIFSQPDBQABP-LBPRGKRZSA-N 1 0 207.317 3.050 10 0 BGAERO COc1ccc([C@@H]([NH3+])C(C)(C)C)cc1C ZINC000037117068 175179616 /nfs/dbraw/zinc/17/96/16/175179616.db2.gz DGAIFSQPDBQABP-GFCCVEGCSA-N 1 0 207.317 3.050 10 0 BGAERO CCCC[C@H]([NH3+])c1ccc(OC)cc1F ZINC000037117123 361681613 /nfs/dbraw/zinc/68/16/13/361681613.db2.gz KYTVXBRFMVVICF-LBPRGKRZSA-N 1 0 211.280 3.024 10 0 BGAERO CCCC[C@@H]([NH3+])c1ccc(OC)cc1F ZINC000037117124 361681646 /nfs/dbraw/zinc/68/16/46/361681646.db2.gz KYTVXBRFMVVICF-GFCCVEGCSA-N 1 0 211.280 3.024 10 0 BGAERO CC[NH2+][C@@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000037118606 170149290 /nfs/dbraw/zinc/14/92/90/170149290.db2.gz YEASYVTVNYGPKX-LLVKDONJSA-N 1 0 207.317 3.211 10 0 BGAERO CC[NH2+][C@H]1CC(C)(C)Cc2oc(C)cc21 ZINC000037118607 170165632 /nfs/dbraw/zinc/16/56/32/170165632.db2.gz YEASYVTVNYGPKX-NSHDSACASA-N 1 0 207.317 3.211 10 0 BGAERO Cc1[nH]c2ccc(NCc3ccccc3)cc2[nH+]1 ZINC000037139777 348023305 /nfs/dbraw/zinc/02/33/05/348023305.db2.gz KUIINPPXNJNJPI-UHFFFAOYSA-N 1 0 237.306 3.483 10 0 BGAERO CC[C@H](C)Nc1ccc2[nH]c(C)[nH+]c2c1 ZINC000037139804 171350067 /nfs/dbraw/zinc/35/00/67/171350067.db2.gz BCLWAWTXBBPADS-QMMMGPOBSA-N 1 0 203.289 3.082 10 0 BGAERO Cc1[nH]c2ccc(NC3CCSCC3)cc2[nH+]1 ZINC000037139923 180095352 /nfs/dbraw/zinc/09/53/52/180095352.db2.gz NKNNIMRWQPCFOB-UHFFFAOYSA-N 1 0 247.367 3.179 10 0 BGAERO CCC(C)(C)[C@@H]1CC[C@H](C[NH3+])[C@H](n2ccnc2)C1 ZINC000037159933 168304849 /nfs/dbraw/zinc/30/48/49/168304849.db2.gz VEJQUJIBEBXAKG-MGPQQGTHSA-N 1 0 249.402 3.235 10 0 BGAERO CCC(C)(C)[C@@H]1CC[C@@H](C[NH3+])[C@H](n2ccnc2)C1 ZINC000037159937 168304845 /nfs/dbraw/zinc/30/48/45/168304845.db2.gz VEJQUJIBEBXAKG-BFHYXJOUSA-N 1 0 249.402 3.235 10 0 BGAERO Cc1nccn1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000037160011 180271303 /nfs/dbraw/zinc/27/13/03/180271303.db2.gz FWFJIIXADQWYSS-MGPQQGTHSA-N 1 0 249.402 3.154 10 0 BGAERO Cc1nccn1[C@H]1C[C@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000037160012 180271966 /nfs/dbraw/zinc/27/19/66/180271966.db2.gz FWFJIIXADQWYSS-MCIONIFRSA-N 1 0 249.402 3.154 10 0 BGAERO Cc1nccn1[C@@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000037160014 180271380 /nfs/dbraw/zinc/27/13/80/180271380.db2.gz FWFJIIXADQWYSS-HZSPNIEDSA-N 1 0 249.402 3.154 10 0 BGAERO Cc1nccn1[C@H]1C[C@@H](C(C)(C)C)CC[C@@H]1C[NH3+] ZINC000037160016 180270882 /nfs/dbraw/zinc/27/08/82/180270882.db2.gz FWFJIIXADQWYSS-RDBSUJKOSA-N 1 0 249.402 3.154 10 0 BGAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037163419 538961809 /nfs/dbraw/zinc/96/18/09/538961809.db2.gz VEZCGWODNBGDLF-HIFRSBDPSA-N 1 0 241.419 3.340 10 0 BGAERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037163422 538961589 /nfs/dbraw/zinc/96/15/89/538961589.db2.gz VEZCGWODNBGDLF-ZFWWWQNUSA-N 1 0 241.419 3.340 10 0 BGAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000037163425 538961661 /nfs/dbraw/zinc/96/16/61/538961661.db2.gz VEZCGWODNBGDLF-UKRRQHHQSA-N 1 0 241.419 3.340 10 0 BGAERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000037163428 538961592 /nfs/dbraw/zinc/96/15/92/538961592.db2.gz VEZCGWODNBGDLF-DZGCQCFKSA-N 1 0 241.419 3.340 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccs1 ZINC000037163535 538961684 /nfs/dbraw/zinc/96/16/84/538961684.db2.gz JXTGLQGKEODCEF-WOPDTQHZSA-N 1 0 239.384 3.092 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccs1 ZINC000037163540 538961630 /nfs/dbraw/zinc/96/16/30/538961630.db2.gz JXTGLQGKEODCEF-SRVKXCTJSA-N 1 0 239.384 3.092 10 0 BGAERO CCCC1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000037163818 538961698 /nfs/dbraw/zinc/96/16/98/538961698.db2.gz OPDRTGDHCOLWFV-CVSAEHQPSA-N 1 0 239.403 3.238 10 0 BGAERO CCCC1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000037163820 538961839 /nfs/dbraw/zinc/96/18/39/538961839.db2.gz OPDRTGDHCOLWFV-WUCCLRPBSA-N 1 0 239.403 3.238 10 0 BGAERO CCCC1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000037163822 538961724 /nfs/dbraw/zinc/96/17/24/538961724.db2.gz OPDRTGDHCOLWFV-NEXFUWMNSA-N 1 0 239.403 3.238 10 0 BGAERO CCCC1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000037163824 538961666 /nfs/dbraw/zinc/96/16/66/538961666.db2.gz OPDRTGDHCOLWFV-PFSRBDOWSA-N 1 0 239.403 3.238 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037164101 538961799 /nfs/dbraw/zinc/96/17/99/538961799.db2.gz OXYASHQCRWXTCL-PMPSAXMXSA-N 1 0 247.382 3.421 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037164107 538961784 /nfs/dbraw/zinc/96/17/84/538961784.db2.gz OXYASHQCRWXTCL-JYJNAYRXSA-N 1 0 247.382 3.421 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000037164155 538961818 /nfs/dbraw/zinc/96/18/18/538961818.db2.gz DLSPKRSJLFWJOM-ZNMIVQPWSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000037164160 538961732 /nfs/dbraw/zinc/96/17/32/538961732.db2.gz DLSPKRSJLFWJOM-KKUMJFAQSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H](O)C2)c(C)c1 ZINC000037164521 385597626 /nfs/dbraw/zinc/59/76/26/385597626.db2.gz YDIPCUKLDGBPRS-CABCVRRESA-N 1 0 247.382 3.005 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H](O)C2)c(C)c1 ZINC000037164524 385597326 /nfs/dbraw/zinc/59/73/26/385597326.db2.gz YDIPCUKLDGBPRS-GJZGRUSLSA-N 1 0 247.382 3.005 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H](O)C2)c(C)c1 ZINC000037164526 385597861 /nfs/dbraw/zinc/59/78/61/385597861.db2.gz YDIPCUKLDGBPRS-HUUCEWRRSA-N 1 0 247.382 3.005 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H](O)C2)c(C)c1 ZINC000037164529 385597889 /nfs/dbraw/zinc/59/78/89/385597889.db2.gz YDIPCUKLDGBPRS-LSDHHAIUSA-N 1 0 247.382 3.005 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037165040 385596816 /nfs/dbraw/zinc/59/68/16/385596816.db2.gz RFSCSJVMHBTMNH-CVEARBPZSA-N 1 0 247.382 3.203 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037165043 385596883 /nfs/dbraw/zinc/59/68/83/385596883.db2.gz RFSCSJVMHBTMNH-HOTGVXAUSA-N 1 0 247.382 3.203 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000037165046 385597039 /nfs/dbraw/zinc/59/70/39/385597039.db2.gz RFSCSJVMHBTMNH-HZPDHXFCSA-N 1 0 247.382 3.203 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000037165049 385597142 /nfs/dbraw/zinc/59/71/42/385597142.db2.gz RFSCSJVMHBTMNH-JKSUJKDBSA-N 1 0 247.382 3.203 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)cc1C ZINC000037165338 538961729 /nfs/dbraw/zinc/96/17/29/538961729.db2.gz AWOVFBHFILQUQU-IMJJTQAJSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)cc1C ZINC000037165342 538961593 /nfs/dbraw/zinc/96/15/93/538961593.db2.gz AWOVFBHFILQUQU-BPUTZDHNSA-N 1 0 247.382 3.258 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037165587 712549508 /nfs/dbraw/zinc/54/95/08/712549508.db2.gz SRNPKDRDWNBIOT-MJBXVCDLSA-N 1 0 227.392 3.238 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000037165591 712549611 /nfs/dbraw/zinc/54/96/11/712549611.db2.gz SRNPKDRDWNBIOT-IHRRRGAJSA-N 1 0 227.392 3.238 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)cc1 ZINC000037165619 538961751 /nfs/dbraw/zinc/96/17/51/538961751.db2.gz POIGKUZBTGTWHP-MAZHCROVSA-N 1 0 247.382 3.203 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)cc1 ZINC000037165623 538961750 /nfs/dbraw/zinc/96/17/50/538961750.db2.gz POIGKUZBTGTWHP-RCBQFDQVSA-N 1 0 247.382 3.203 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000037165631 538961827 /nfs/dbraw/zinc/96/18/27/538961827.db2.gz WCBUJFQEFCMKFP-FQUUOJAGSA-N 1 0 227.392 3.094 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC(C)(C)C1 ZINC000037165641 361711441 /nfs/dbraw/zinc/71/14/41/361711441.db2.gz IXFNYDTZZXKVNE-MQYQWHSLSA-N 1 0 239.403 3.094 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)s1 ZINC000037165683 538961683 /nfs/dbraw/zinc/96/16/83/538961683.db2.gz GNFMQOHSCDAXMF-TUAOUCFPSA-N 1 0 239.384 3.011 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)s1 ZINC000037165687 538961595 /nfs/dbraw/zinc/96/15/95/538961595.db2.gz GNFMQOHSCDAXMF-SRVKXCTJSA-N 1 0 239.384 3.011 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)c(C)c1 ZINC000037165933 538961780 /nfs/dbraw/zinc/96/17/80/538961780.db2.gz BTSNZHKYCBSGQM-ZNMIVQPWSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)c(C)c1 ZINC000037165935 538961624 /nfs/dbraw/zinc/96/16/24/538961624.db2.gz BTSNZHKYCBSGQM-KKUMJFAQSA-N 1 0 247.382 3.258 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccc(C)cc1 ZINC000037166040 538961577 /nfs/dbraw/zinc/96/15/77/538961577.db2.gz ZKTVCIVYCJCYOL-PMPSAXMXSA-N 1 0 247.382 3.339 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccc(C)cc1 ZINC000037166042 538961836 /nfs/dbraw/zinc/96/18/36/538961836.db2.gz ZKTVCIVYCJCYOL-JYJNAYRXSA-N 1 0 247.382 3.339 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037166052 538961722 /nfs/dbraw/zinc/96/17/22/538961722.db2.gz UNPZUMHGBLKCJT-ILXRZTDVSA-N 1 0 233.355 3.031 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037166054 538961783 /nfs/dbraw/zinc/96/17/83/538961783.db2.gz UNPZUMHGBLKCJT-KKUMJFAQSA-N 1 0 233.355 3.031 10 0 BGAERO Cc1ccccc1C[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037166702 179283035 /nfs/dbraw/zinc/28/30/35/179283035.db2.gz IDSGDWQHKHZIOG-INIZCTEOSA-N 1 0 248.414 3.061 10 0 BGAERO Cc1ccccc1C[NH2+][C@H](CC(C)C)CN(C)C ZINC000037166703 179283959 /nfs/dbraw/zinc/28/39/59/179283959.db2.gz IDSGDWQHKHZIOG-MRXNPFEDSA-N 1 0 248.414 3.061 10 0 BGAERO Cc1ccc(C[NH2+][C@@H](CC(C)C)CN(C)C)cc1 ZINC000037166704 324387077 /nfs/dbraw/zinc/38/70/77/324387077.db2.gz PFPZCPLZMILZKA-INIZCTEOSA-N 1 0 248.414 3.061 10 0 BGAERO Cc1ccc(C[NH2+][C@H](CC(C)C)CN(C)C)cc1 ZINC000037166705 324386922 /nfs/dbraw/zinc/38/69/22/324386922.db2.gz PFPZCPLZMILZKA-MRXNPFEDSA-N 1 0 248.414 3.061 10 0 BGAERO Cc1cccc(C[NH2+][C@@H](CC(C)C)CN(C)C)c1 ZINC000037166708 179097707 /nfs/dbraw/zinc/09/77/07/179097707.db2.gz BFYYSYBPMLXEEQ-INIZCTEOSA-N 1 0 248.414 3.061 10 0 BGAERO Cc1cccc(C[NH2+][C@H](CC(C)C)CN(C)C)c1 ZINC000037166709 179100524 /nfs/dbraw/zinc/10/05/24/179100524.db2.gz BFYYSYBPMLXEEQ-MRXNPFEDSA-N 1 0 248.414 3.061 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CCC(C)CC1 ZINC000037166723 187392492 /nfs/dbraw/zinc/39/24/92/187392492.db2.gz LWDMRFQFOKRYCB-YMAMQOFZSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@@H](CN(C)C)[NH2+]C1CCCCCC1 ZINC000037166724 324387064 /nfs/dbraw/zinc/38/70/64/324387064.db2.gz JIVUWQGJGRFLAJ-HNNXBMFYSA-N 1 0 240.435 3.275 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+]C1CCCCCC1 ZINC000037166725 322902227 /nfs/dbraw/zinc/90/22/27/322902227.db2.gz JIVUWQGJGRFLAJ-OAHLLOKOSA-N 1 0 240.435 3.275 10 0 BGAERO CC(C)C[C@@H](CN(C)C)[NH2+]CC1CCCCC1 ZINC000037166791 324387903 /nfs/dbraw/zinc/38/79/03/324387903.db2.gz WDKFUQPJJDDFMC-HNNXBMFYSA-N 1 0 240.435 3.133 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+]CC1CCCCC1 ZINC000037166792 324387893 /nfs/dbraw/zinc/38/78/93/324387893.db2.gz WDKFUQPJJDDFMC-OAHLLOKOSA-N 1 0 240.435 3.133 10 0 BGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000037167137 324388101 /nfs/dbraw/zinc/38/81/01/324388101.db2.gz MDYNYXADZUTRRA-HOCLYGCPSA-N 1 0 248.414 3.314 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1 ZINC000037167138 323186159 /nfs/dbraw/zinc/18/61/59/323186159.db2.gz MDYNYXADZUTRRA-GOEBONIOSA-N 1 0 248.414 3.314 10 0 BGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000037167139 323186149 /nfs/dbraw/zinc/18/61/49/323186149.db2.gz MDYNYXADZUTRRA-ZBFHGGJFSA-N 1 0 248.414 3.314 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccccc1 ZINC000037167140 323186244 /nfs/dbraw/zinc/18/62/44/323186244.db2.gz MDYNYXADZUTRRA-GDBMZVCRSA-N 1 0 248.414 3.314 10 0 BGAERO CCCCCN(C)c1cccc(F)c1[C@@H](C)[NH3+] ZINC000037171827 168686774 /nfs/dbraw/zinc/68/67/74/168686774.db2.gz LPTOZHVTIAQKBU-LLVKDONJSA-N 1 0 238.350 3.472 10 0 BGAERO CC[C@H](C)C[N@H+](C)C[C@H](N)c1ccc(C)c(C)c1 ZINC000037172907 171272931 /nfs/dbraw/zinc/27/29/31/171272931.db2.gz PLYGQWPXQZIAJU-LRDDRELGSA-N 1 0 248.414 3.281 10 0 BGAERO CC[C@H](C)C[N@H+](C)C[C@H](N)c1ccc(C)cc1C ZINC000037172947 171273340 /nfs/dbraw/zinc/27/33/40/171273340.db2.gz ZQFHPNVXMBSAHK-LRDDRELGSA-N 1 0 248.414 3.281 10 0 BGAERO CC[C@H](C)CN(C)c1ccc(F)cc1[C@@H](C)[NH3+] ZINC000037173511 171275555 /nfs/dbraw/zinc/27/55/55/171275555.db2.gz OMWDQTRVILJDJP-WDEREUQCSA-N 1 0 238.350 3.328 10 0 BGAERO C[C@@H]1Cc2cc([C@H]([NH3+])C(C)(C)C)ccc2O1 ZINC000037176069 176451082 /nfs/dbraw/zinc/45/10/82/176451082.db2.gz GACLQTMONVJRGS-RNCFNFMXSA-N 1 0 219.328 3.056 10 0 BGAERO C[C@H]1Cc2cc([C@H]([NH3+])C(C)(C)C)ccc2O1 ZINC000037176071 177388867 /nfs/dbraw/zinc/38/88/67/177388867.db2.gz GACLQTMONVJRGS-ZANVPECISA-N 1 0 219.328 3.056 10 0 BGAERO C[C@@H]1Cc2cc([C@@H]([NH3+])C(C)(C)C)ccc2O1 ZINC000037176073 176450504 /nfs/dbraw/zinc/45/05/04/176450504.db2.gz GACLQTMONVJRGS-NOZJJQNGSA-N 1 0 219.328 3.056 10 0 BGAERO C[C@H]1Cc2cc([C@@H]([NH3+])C(C)(C)C)ccc2O1 ZINC000037176075 177389101 /nfs/dbraw/zinc/38/91/01/177389101.db2.gz GACLQTMONVJRGS-TVQRCGJNSA-N 1 0 219.328 3.056 10 0 BGAERO CCC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)C[C@H](C)O2 ZINC000037176338 169495389 /nfs/dbraw/zinc/49/53/89/169495389.db2.gz YXLOTGQPEIFJDC-PGUXBMHVSA-N 1 0 233.355 3.446 10 0 BGAERO C[NH2+][C@H](C)c1sc(C(C)(C)C)nc1C ZINC000037184202 173451290 /nfs/dbraw/zinc/45/12/90/173451290.db2.gz SOIILPXKMDRLOT-SSDOTTSWSA-N 1 0 212.362 3.029 10 0 BGAERO C[NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C ZINC000037184203 173420411 /nfs/dbraw/zinc/42/04/11/173420411.db2.gz SOIILPXKMDRLOT-ZETCQYMHSA-N 1 0 212.362 3.029 10 0 BGAERO CCC[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000037184394 169275998 /nfs/dbraw/zinc/27/59/98/169275998.db2.gz MYMOTQQZAXUQNB-NSHDSACASA-N 1 0 206.333 3.067 10 0 BGAERO CCC[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000037184395 169287176 /nfs/dbraw/zinc/28/71/76/169287176.db2.gz MYMOTQQZAXUQNB-LLVKDONJSA-N 1 0 206.333 3.067 10 0 BGAERO Cc1ncsc1[C@@H](C)[NH2+]C1CCCCC1 ZINC000037185996 180327026 /nfs/dbraw/zinc/32/70/26/180327026.db2.gz RUJYZNUEBJBGFZ-SNVBAGLBSA-N 1 0 224.373 3.435 10 0 BGAERO Cc1ncsc1[C@H](C)[NH2+]C1CCCCC1 ZINC000037185997 180327582 /nfs/dbraw/zinc/32/75/82/180327582.db2.gz RUJYZNUEBJBGFZ-JTQLQIEISA-N 1 0 224.373 3.435 10 0 BGAERO Cc1cc(C)c([C@@H](C)[NH2+]C(C)C)c(C)n1 ZINC000037186289 177870035 /nfs/dbraw/zinc/87/00/35/177870035.db2.gz WWGDPLLJGSQCPK-LLVKDONJSA-N 1 0 206.333 3.066 10 0 BGAERO CC[C@H](C)[NH2+][C@@H](C)c1c(C)cc(C)nc1C ZINC000037186628 171346577 /nfs/dbraw/zinc/34/65/77/171346577.db2.gz VDWDVHRLMBMBTI-JQWIXIFHSA-N 1 0 220.360 3.456 10 0 BGAERO CC[C@H](C)[NH2+][C@H](C)c1c(C)cc(C)nc1C ZINC000037186630 171347980 /nfs/dbraw/zinc/34/79/80/171347980.db2.gz VDWDVHRLMBMBTI-CMPLNLGQSA-N 1 0 220.360 3.456 10 0 BGAERO Cc1ncsc1[C@@H](C)[NH2+]C1CCCC1 ZINC000037186922 180327031 /nfs/dbraw/zinc/32/70/31/180327031.db2.gz WGQXOHLGAWTRIJ-SECBINFHSA-N 1 0 210.346 3.045 10 0 BGAERO Cc1ncsc1[C@H](C)[NH2+]C1CCCC1 ZINC000037186923 180326642 /nfs/dbraw/zinc/32/66/42/180326642.db2.gz WGQXOHLGAWTRIJ-VIFPVBQESA-N 1 0 210.346 3.045 10 0 BGAERO CCC(CC)[NH2+]C1CCN(CC=C(C)C)CC1 ZINC000037187008 168387674 /nfs/dbraw/zinc/38/76/74/168387674.db2.gz JGRURYSLIRTMOZ-UHFFFAOYSA-N 1 0 238.419 3.195 10 0 BGAERO CCC(CC)[NH2+]Cc1c[nH]nc1-c1ccc(C)o1 ZINC000037187018 168387933 /nfs/dbraw/zinc/38/79/33/168387933.db2.gz NYNBTYJBUWPGQB-UHFFFAOYSA-N 1 0 247.342 3.256 10 0 BGAERO Cc1ncsc1[C@@H](C)[NH2+]Cc1ccccc1 ZINC000037187763 180326867 /nfs/dbraw/zinc/32/68/67/180326867.db2.gz KGLVMTRMSLPKAN-SNVBAGLBSA-N 1 0 232.352 3.302 10 0 BGAERO Cc1ncsc1[C@H](C)[NH2+]Cc1ccccc1 ZINC000037187764 180327504 /nfs/dbraw/zinc/32/75/04/180327504.db2.gz KGLVMTRMSLPKAN-JTQLQIEISA-N 1 0 232.352 3.302 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH2+]CCC(C)C)CCO2 ZINC000037199882 175214201 /nfs/dbraw/zinc/21/42/01/175214201.db2.gz HHNFBXKSFISAOW-AWEZNQCLSA-N 1 0 249.354 3.155 10 0 BGAERO C[NH2+]CCCc1nc2cccc(Cl)c2s1 ZINC000037205982 173351421 /nfs/dbraw/zinc/35/14/21/173351421.db2.gz PDDVOTCFUPRHIY-UHFFFAOYSA-N 1 0 240.759 3.102 10 0 BGAERO Cc1ccc(N[C@@H](C)C2CC[NH+](C)CC2)cc1C ZINC000037209830 178769825 /nfs/dbraw/zinc/76/98/25/178769825.db2.gz FUXJTCUDRQIZDE-AWEZNQCLSA-N 1 0 246.398 3.446 10 0 BGAERO CCc1ccccc1N[C@H](C)[C@H]1CCC[N@H+](C)C1 ZINC000037210205 171889462 /nfs/dbraw/zinc/88/94/62/171889462.db2.gz DUWAERIMXLYIIC-HIFRSBDPSA-N 1 0 246.398 3.391 10 0 BGAERO CCc1cccc(N[C@@H](C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000037210290 171863154 /nfs/dbraw/zinc/86/31/54/171863154.db2.gz ATHNQNJOLABVFG-DZGCQCFKSA-N 1 0 246.398 3.391 10 0 BGAERO Cc1ccc(N[C@H](C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000037210403 178776134 /nfs/dbraw/zinc/77/61/34/178776134.db2.gz JHUJIPZYDMIHHX-KGLIPLIRSA-N 1 0 232.371 3.137 10 0 BGAERO Cc1ccccc1N[C@@H](C)C1CC[NH+](C)CC1 ZINC000037210436 538962034 /nfs/dbraw/zinc/96/20/34/538962034.db2.gz AEIJGUYZCKKBGR-ZDUSSCGKSA-N 1 0 232.371 3.137 10 0 BGAERO Cc1ccccc1N[C@H](C)C1CC[NH+](C)CC1 ZINC000037210437 538962076 /nfs/dbraw/zinc/96/20/76/538962076.db2.gz AEIJGUYZCKKBGR-CYBMUJFWSA-N 1 0 232.371 3.137 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]Cc2ccccn2)c1 ZINC000037213539 179181554 /nfs/dbraw/zinc/18/15/54/179181554.db2.gz RJCLHKKNNZIBTC-CYBMUJFWSA-N 1 0 226.323 3.241 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]Cc2ccccn2)c1 ZINC000037213540 179195802 /nfs/dbraw/zinc/19/58/02/179195802.db2.gz RJCLHKKNNZIBTC-ZDUSSCGKSA-N 1 0 226.323 3.241 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1ccncc1)C(C)C ZINC000037217791 343339761 /nfs/dbraw/zinc/33/97/61/343339761.db2.gz ZPURBLMXWCLVDI-AAEUAGOBSA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1ccncc1)C(C)C ZINC000037217792 343339604 /nfs/dbraw/zinc/33/96/04/343339604.db2.gz ZPURBLMXWCLVDI-WCQYABFASA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ccncc1)C(C)C ZINC000037217793 343340173 /nfs/dbraw/zinc/34/01/73/343340173.db2.gz ZPURBLMXWCLVDI-YPMHNXCESA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1ccncc1)C(C)C ZINC000037217794 343339833 /nfs/dbraw/zinc/33/98/33/343339833.db2.gz ZPURBLMXWCLVDI-DGCLKSJQSA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1ccccn1)C(C)C ZINC000037218877 171538072 /nfs/dbraw/zinc/53/80/72/171538072.db2.gz IQKUVOWOFYYIEA-RYUDHWBXSA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1ccccn1)C(C)C ZINC000037218878 343340124 /nfs/dbraw/zinc/34/01/24/343340124.db2.gz IQKUVOWOFYYIEA-NWDGAFQWSA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ccccn1)C(C)C ZINC000037218879 171545845 /nfs/dbraw/zinc/54/58/45/171545845.db2.gz IQKUVOWOFYYIEA-NEPJUHHUSA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1ccccn1)C(C)C ZINC000037218880 170912353 /nfs/dbraw/zinc/91/23/53/170912353.db2.gz IQKUVOWOFYYIEA-VXGBXAGGSA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1cccnc1)C(C)C ZINC000037228939 343340360 /nfs/dbraw/zinc/34/03/60/343340360.db2.gz TZZYQBHQPLBQLK-AAEUAGOBSA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1cccnc1)C(C)C ZINC000037228940 170908516 /nfs/dbraw/zinc/90/85/16/170908516.db2.gz TZZYQBHQPLBQLK-WCQYABFASA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cccnc1)C(C)C ZINC000037228941 343340515 /nfs/dbraw/zinc/34/05/15/343340515.db2.gz TZZYQBHQPLBQLK-YPMHNXCESA-N 1 0 206.333 3.167 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1cccnc1)C(C)C ZINC000037228942 343340563 /nfs/dbraw/zinc/34/05/63/343340563.db2.gz TZZYQBHQPLBQLK-DGCLKSJQSA-N 1 0 206.333 3.167 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000037229690 388605787 /nfs/dbraw/zinc/60/57/87/388605787.db2.gz XNJVLLZUVNRGNU-ZBFHGGJFSA-N 1 0 248.414 3.458 10 0 BGAERO CCCC[C@H](C)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000037229692 324460553 /nfs/dbraw/zinc/46/05/53/324460553.db2.gz XNJVLLZUVNRGNU-HOCLYGCPSA-N 1 0 248.414 3.458 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000037229694 324460119 /nfs/dbraw/zinc/46/01/19/324460119.db2.gz XNJVLLZUVNRGNU-GDBMZVCRSA-N 1 0 248.414 3.458 10 0 BGAERO CCCC[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000037229696 388605389 /nfs/dbraw/zinc/60/53/89/388605389.db2.gz XNJVLLZUVNRGNU-GOEBONIOSA-N 1 0 248.414 3.458 10 0 BGAERO Cc1ncsc1[C@@H](C)[NH2+]Cc1cccs1 ZINC000037232029 180327693 /nfs/dbraw/zinc/32/76/93/180327693.db2.gz FYYUJCQXSBTJNB-MRVPVSSYSA-N 1 0 238.381 3.364 10 0 BGAERO Cc1ncsc1[C@H](C)[NH2+]Cc1cccs1 ZINC000037232030 180327731 /nfs/dbraw/zinc/32/77/31/180327731.db2.gz FYYUJCQXSBTJNB-QMMMGPOBSA-N 1 0 238.381 3.364 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]Cc2ccncc2)c1 ZINC000037232083 179182360 /nfs/dbraw/zinc/18/23/60/179182360.db2.gz JANTYYHWMGBYLP-CYBMUJFWSA-N 1 0 226.323 3.241 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]Cc2ccncc2)c1 ZINC000037232084 179195750 /nfs/dbraw/zinc/19/57/50/179195750.db2.gz JANTYYHWMGBYLP-ZDUSSCGKSA-N 1 0 226.323 3.241 10 0 BGAERO C[NH2+]Cc1cc(F)ccc1N(C)c1ccccc1 ZINC000037236007 173387570 /nfs/dbraw/zinc/38/75/70/173387570.db2.gz JKJDGYJGEPZHOV-UHFFFAOYSA-N 1 0 244.313 3.313 10 0 BGAERO CCCN(CCC)c1ccc(F)cc1C[NH2+]C ZINC000037236131 169152054 /nfs/dbraw/zinc/15/20/54/169152054.db2.gz LZYMAMPCLCKIRB-UHFFFAOYSA-N 1 0 238.350 3.172 10 0 BGAERO CC[NH2+]Cc1cc(F)ccc1N(C)CC(C)C ZINC000037236684 170125788 /nfs/dbraw/zinc/12/57/88/170125788.db2.gz HTDALMNTGADEMV-UHFFFAOYSA-N 1 0 238.350 3.027 10 0 BGAERO C[C@H](Oc1ccc(F)cc1C[NH3+])c1ccccc1 ZINC000037237195 177023372 /nfs/dbraw/zinc/02/33/72/177023372.db2.gz MFOXVVMKMZAVMK-NSHDSACASA-N 1 0 245.297 3.424 10 0 BGAERO C[C@@H](Oc1ccc(F)cc1C[NH3+])c1ccccc1 ZINC000037237197 176004260 /nfs/dbraw/zinc/00/42/60/176004260.db2.gz MFOXVVMKMZAVMK-LLVKDONJSA-N 1 0 245.297 3.424 10 0 BGAERO COc1cccc(Oc2ccc(F)cc2C[NH3+])c1 ZINC000037237580 175284889 /nfs/dbraw/zinc/28/48/89/175284889.db2.gz HETDCBJHLAXIRB-UHFFFAOYSA-N 1 0 247.269 3.085 10 0 BGAERO Cc1ccccc1Oc1ccc(F)cc1C[NH3+] ZINC000037237754 179314660 /nfs/dbraw/zinc/31/46/60/179314660.db2.gz WQDAQTPAMKAKKF-UHFFFAOYSA-N 1 0 231.270 3.385 10 0 BGAERO [NH3+]Cc1cc(F)ccc1Oc1ccccc1 ZINC000037237774 383961366 /nfs/dbraw/zinc/96/13/66/383961366.db2.gz LVIVPWFNPIXLMJ-UHFFFAOYSA-N 1 0 217.243 3.077 10 0 BGAERO COc1ccccc1Oc1ccc(F)cc1C[NH3+] ZINC000037237832 175342391 /nfs/dbraw/zinc/34/23/91/175342391.db2.gz UUSVEEDQBYSHNS-UHFFFAOYSA-N 1 0 247.269 3.085 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000037240389 170152987 /nfs/dbraw/zinc/15/29/87/170152987.db2.gz MLLNPQYTPGSDFR-CQSZACIVSA-N 1 0 246.398 3.172 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000037240391 170168306 /nfs/dbraw/zinc/16/83/06/170168306.db2.gz MLLNPQYTPGSDFR-AWEZNQCLSA-N 1 0 246.398 3.172 10 0 BGAERO CCC[NH2+]C1CCN([C@@H](C)c2ccccc2)CC1 ZINC000037241327 169255821 /nfs/dbraw/zinc/25/58/21/169255821.db2.gz XLODQCUVDSRCNB-AWEZNQCLSA-N 1 0 246.398 3.212 10 0 BGAERO CCC[NH2+]C1CCN([C@H](C)c2ccccc2)CC1 ZINC000037241329 169255439 /nfs/dbraw/zinc/25/54/39/169255439.db2.gz XLODQCUVDSRCNB-CQSZACIVSA-N 1 0 246.398 3.212 10 0 BGAERO CCC[NH2+]C1CCN(c2ccccc2CC)CC1 ZINC000037241406 535158055 /nfs/dbraw/zinc/15/80/55/535158055.db2.gz ZUUXAOPTUCYBMY-UHFFFAOYSA-N 1 0 246.398 3.217 10 0 BGAERO CCC[NH2+]C1CCN(c2cc(C)cc(C)c2)CC1 ZINC000037242012 535157839 /nfs/dbraw/zinc/15/78/39/535157839.db2.gz GIVWJUPJKDWZPP-UHFFFAOYSA-N 1 0 246.398 3.272 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000037242551 179196946 /nfs/dbraw/zinc/19/69/46/179196946.db2.gz BJBRUKRNSLNQIW-YDHLFZDLSA-N 1 0 233.355 3.213 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000037242555 179197606 /nfs/dbraw/zinc/19/76/06/179197606.db2.gz BJBRUKRNSLNQIW-GUTXKFCHSA-N 1 0 233.355 3.213 10 0 BGAERO [NH3+]CC(Cc1ccccc1)Cc1ccccc1 ZINC000037245682 181356894 /nfs/dbraw/zinc/35/68/94/181356894.db2.gz OUGPXHYMXCVURU-UHFFFAOYSA-N 1 0 225.335 3.047 10 0 BGAERO [NH2+]=C1c2ccccc2CN1CC1CCCCC1 ZINC000037247595 181207764 /nfs/dbraw/zinc/20/77/64/181207764.db2.gz RZKAFDMZZVYGGN-UHFFFAOYSA-N 1 0 228.339 3.408 10 0 BGAERO CCCCc1ccc(NCC[NH+](C)C)cc1 ZINC000037249588 169021566 /nfs/dbraw/zinc/02/15/66/169021566.db2.gz CZSQBNWKFTUZJH-UHFFFAOYSA-N 1 0 220.360 3.003 10 0 BGAERO COc1ccccc1C[C@H](C)[NH2+][C@H](C)C(C)C ZINC000037249718 175334015 /nfs/dbraw/zinc/33/40/15/175334015.db2.gz MXZHHPOOEJTQAU-QWHCGFSZSA-N 1 0 235.371 3.260 10 0 BGAERO COc1ccccc1C[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000037249720 175334101 /nfs/dbraw/zinc/33/41/01/175334101.db2.gz MXZHHPOOEJTQAU-STQMWFEESA-N 1 0 235.371 3.260 10 0 BGAERO COc1ccccc1C[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000037249722 712558448 /nfs/dbraw/zinc/55/84/48/712558448.db2.gz MXZHHPOOEJTQAU-CHWSQXEVSA-N 1 0 235.371 3.260 10 0 BGAERO COc1ccccc1C[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000037249724 191069118 /nfs/dbraw/zinc/06/91/18/191069118.db2.gz MXZHHPOOEJTQAU-OLZOCXBDSA-N 1 0 235.371 3.260 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000037249866 712558339 /nfs/dbraw/zinc/55/83/39/712558339.db2.gz LPORPVFPZJWKKY-NEPJUHHUSA-N 1 0 233.355 3.317 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000037249868 712558517 /nfs/dbraw/zinc/55/85/17/712558517.db2.gz LPORPVFPZJWKKY-RYUDHWBXSA-N 1 0 233.355 3.317 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000037249870 712558610 /nfs/dbraw/zinc/55/86/10/712558610.db2.gz LPORPVFPZJWKKY-VXGBXAGGSA-N 1 0 233.355 3.317 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000037249872 712558571 /nfs/dbraw/zinc/55/85/71/712558571.db2.gz LPORPVFPZJWKKY-NWDGAFQWSA-N 1 0 233.355 3.317 10 0 BGAERO Cc1ncsc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000037249974 180326228 /nfs/dbraw/zinc/32/62/28/180326228.db2.gz YXNNHPWWLWMWNQ-WCBMZHEXSA-N 1 0 212.362 3.147 10 0 BGAERO Cc1ncsc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000037249976 180327049 /nfs/dbraw/zinc/32/70/49/180327049.db2.gz YXNNHPWWLWMWNQ-WPRPVWTQSA-N 1 0 212.362 3.147 10 0 BGAERO Cc1ncsc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000037249978 180326981 /nfs/dbraw/zinc/32/69/81/180326981.db2.gz YXNNHPWWLWMWNQ-PSASIEDQSA-N 1 0 212.362 3.147 10 0 BGAERO Cc1ncsc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000037249980 180327726 /nfs/dbraw/zinc/32/77/26/180327726.db2.gz YXNNHPWWLWMWNQ-SCZZXKLOSA-N 1 0 212.362 3.147 10 0 BGAERO CCCCCC(CCCCC)[NH2+]CCO ZINC000037250553 343341421 /nfs/dbraw/zinc/34/14/21/343341421.db2.gz HEUFDPVGJIVTPT-UHFFFAOYSA-N 1 0 215.381 3.098 10 0 BGAERO c1ccc(CC[NH2+]CC2CCCC2)cc1 ZINC000037252273 712558552 /nfs/dbraw/zinc/55/85/52/712558552.db2.gz OSSPLGNOQXLUJP-UHFFFAOYSA-N 1 0 203.329 3.009 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000037252360 176144182 /nfs/dbraw/zinc/14/41/82/176144182.db2.gz DXPYMVUPANVUFI-YPMHNXCESA-N 1 0 219.328 3.061 10 0 BGAERO C[C@H]1CCC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000037252362 177136800 /nfs/dbraw/zinc/13/68/00/177136800.db2.gz DXPYMVUPANVUFI-AAEUAGOBSA-N 1 0 219.328 3.061 10 0 BGAERO C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000037252364 176123514 /nfs/dbraw/zinc/12/35/14/176123514.db2.gz DXPYMVUPANVUFI-DGCLKSJQSA-N 1 0 219.328 3.061 10 0 BGAERO C[C@H]1CCC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000037252366 177122737 /nfs/dbraw/zinc/12/27/37/177122737.db2.gz DXPYMVUPANVUFI-WCQYABFASA-N 1 0 219.328 3.061 10 0 BGAERO Cc1ncsc1[C@@H](C)[NH2+]CC1CCCC1 ZINC000037255102 180326911 /nfs/dbraw/zinc/32/69/11/180326911.db2.gz KMSZLOQSWAVYCO-SECBINFHSA-N 1 0 224.373 3.292 10 0 BGAERO Cc1ncsc1[C@H](C)[NH2+]CC1CCCC1 ZINC000037255104 180327623 /nfs/dbraw/zinc/32/76/23/180327623.db2.gz KMSZLOQSWAVYCO-VIFPVBQESA-N 1 0 224.373 3.292 10 0 BGAERO C[C@@H]1CCC[C@H](N2Cc3ccccc3C2=[NH2+])C1 ZINC000037255954 176141682 /nfs/dbraw/zinc/14/16/82/176141682.db2.gz CQAPJOAIGNIZPE-YPMHNXCESA-N 1 0 228.339 3.406 10 0 BGAERO C[C@H]1CCC[C@H](N2Cc3ccccc3C2=[NH2+])C1 ZINC000037255956 177135289 /nfs/dbraw/zinc/13/52/89/177135289.db2.gz CQAPJOAIGNIZPE-AAEUAGOBSA-N 1 0 228.339 3.406 10 0 BGAERO c1ccc2c(c1)OCC[C@H]2[NH2+]CC1CCCC1 ZINC000037257702 183452932 /nfs/dbraw/zinc/45/29/32/183452932.db2.gz AWGRPGURHSEQDF-CQSZACIVSA-N 1 0 231.339 3.290 10 0 BGAERO COc1cc([C@H](C)[NH2+]CC2CCCC2)ccc1O ZINC000037257875 175016284 /nfs/dbraw/zinc/01/62/84/175016284.db2.gz RHINBNPITPSAPN-NSHDSACASA-N 1 0 249.354 3.242 10 0 BGAERO COc1cc([C@@H](C)[NH2+]CC2CCCC2)ccc1O ZINC000037257877 175014016 /nfs/dbraw/zinc/01/40/16/175014016.db2.gz RHINBNPITPSAPN-LLVKDONJSA-N 1 0 249.354 3.242 10 0 BGAERO c1ccc2c(c1)CC[C@@H]2[NH2+]CC1CCCC1 ZINC000037258015 323204070 /nfs/dbraw/zinc/20/40/70/323204070.db2.gz WUQIYHABYIVKFY-HNNXBMFYSA-N 1 0 215.340 3.454 10 0 BGAERO c1ccc2c(c1)CC[C@H]2[NH2+]CC1CCCC1 ZINC000037258017 323204149 /nfs/dbraw/zinc/20/41/49/323204149.db2.gz WUQIYHABYIVKFY-OAHLLOKOSA-N 1 0 215.340 3.454 10 0 BGAERO CC[N@H+](Cc1ccc(N)c2cccnc12)C(C)C ZINC000037273191 169906830 /nfs/dbraw/zinc/90/68/30/169906830.db2.gz NJWBVSNUYZHGQL-UHFFFAOYSA-N 1 0 243.354 3.047 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2F)cc1C ZINC000037289139 175192592 /nfs/dbraw/zinc/19/25/92/175192592.db2.gz ZTCZOSVXYYXHTR-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2F)cc1C ZINC000037289140 175180226 /nfs/dbraw/zinc/18/02/26/175180226.db2.gz ZTCZOSVXYYXHTR-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccc([C@H]([NH3+])CCC(C)C)cc1C ZINC000037289285 348312214 /nfs/dbraw/zinc/31/22/14/348312214.db2.gz RQGNAVPMPWKVBE-CYBMUJFWSA-N 1 0 221.344 3.440 10 0 BGAERO COc1ccc([C@@H]([NH3+])CCC(C)C)cc1C ZINC000037289286 348312541 /nfs/dbraw/zinc/31/25/41/348312541.db2.gz RQGNAVPMPWKVBE-ZDUSSCGKSA-N 1 0 221.344 3.440 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1cccc(O)c1)C(C)C ZINC000037319202 388642046 /nfs/dbraw/zinc/64/20/46/388642046.db2.gz BLLMQYZBIUUTJL-FZMZJTMJSA-N 1 0 221.344 3.477 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)C(C)C ZINC000037319203 324566532 /nfs/dbraw/zinc/56/65/32/324566532.db2.gz BLLMQYZBIUUTJL-SMDDNHRTSA-N 1 0 221.344 3.477 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)C(C)C ZINC000037319204 324566388 /nfs/dbraw/zinc/56/63/88/324566388.db2.gz BLLMQYZBIUUTJL-RISCZKNCSA-N 1 0 221.344 3.477 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1cccc(O)c1)C(C)C ZINC000037319205 324566612 /nfs/dbraw/zinc/56/66/12/324566612.db2.gz BLLMQYZBIUUTJL-BXUZGUMPSA-N 1 0 221.344 3.477 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H](O)C2)cc1C ZINC000037321256 348319656 /nfs/dbraw/zinc/31/96/56/348319656.db2.gz PJEBZGCQDZWVJN-CVEARBPZSA-N 1 0 247.382 3.005 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@H](O)C2)cc1C ZINC000037321257 348319973 /nfs/dbraw/zinc/31/99/73/348319973.db2.gz PJEBZGCQDZWVJN-HOTGVXAUSA-N 1 0 247.382 3.005 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H](O)C2)cc1C ZINC000037321258 348319678 /nfs/dbraw/zinc/31/96/78/348319678.db2.gz PJEBZGCQDZWVJN-HZPDHXFCSA-N 1 0 247.382 3.005 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2CCC[C@@H](O)C2)cc1C ZINC000037321259 348319995 /nfs/dbraw/zinc/31/99/95/348319995.db2.gz PJEBZGCQDZWVJN-JKSUJKDBSA-N 1 0 247.382 3.005 10 0 BGAERO CC(C)[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037321400 538962107 /nfs/dbraw/zinc/96/21/07/538962107.db2.gz QGHNYBMDKFLHPE-PMPSAXMXSA-N 1 0 247.382 3.277 10 0 BGAERO CC(C)[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000037321402 538962257 /nfs/dbraw/zinc/96/22/57/538962257.db2.gz QGHNYBMDKFLHPE-JYJNAYRXSA-N 1 0 247.382 3.277 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037321571 388643159 /nfs/dbraw/zinc/64/31/59/388643159.db2.gz OBERUMUYGGJHNP-KGLIPLIRSA-N 1 0 228.424 3.131 10 0 BGAERO CCCC[C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000037321572 324566616 /nfs/dbraw/zinc/56/66/16/324566616.db2.gz OBERUMUYGGJHNP-KBPBESRZSA-N 1 0 228.424 3.131 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000037321573 324566579 /nfs/dbraw/zinc/56/65/79/324566579.db2.gz OBERUMUYGGJHNP-ZIAGYGMSSA-N 1 0 228.424 3.131 10 0 BGAERO CCCC[C@H](C)[NH2+][C@H](CC(C)C)CN(C)C ZINC000037321574 324566690 /nfs/dbraw/zinc/56/66/90/324566690.db2.gz OBERUMUYGGJHNP-UONOGXRCSA-N 1 0 228.424 3.131 10 0 BGAERO [NH3+][C@H]1CCOc2c3ccccc3c(Cl)cc21 ZINC000037364168 348357133 /nfs/dbraw/zinc/35/71/33/348357133.db2.gz DGYOBNKCDNJVIT-LBPRGKRZSA-N 1 0 233.698 3.276 10 0 BGAERO [NH3+][C@@H]1CCOc2c3ccccc3c(Cl)cc21 ZINC000037364170 348356578 /nfs/dbraw/zinc/35/65/78/348356578.db2.gz DGYOBNKCDNJVIT-GFCCVEGCSA-N 1 0 233.698 3.276 10 0 BGAERO [NH3+][C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 ZINC000037377633 181560816 /nfs/dbraw/zinc/56/08/16/181560816.db2.gz QQXVNDMFXNBCOU-MNOVXSKESA-N 1 0 246.137 3.172 10 0 BGAERO CC[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000037380049 171695995 /nfs/dbraw/zinc/69/59/95/171695995.db2.gz JNJBWOZAQFLPBG-JTQLQIEISA-N 1 0 228.133 3.033 10 0 BGAERO CC[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000037380051 171170510 /nfs/dbraw/zinc/17/05/10/171170510.db2.gz JNJBWOZAQFLPBG-SNVBAGLBSA-N 1 0 228.133 3.033 10 0 BGAERO CC(C)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000037380054 167524312 /nfs/dbraw/zinc/52/43/12/167524312.db2.gz QTDHCZAEUJISPT-NSHDSACASA-N 1 0 242.160 3.279 10 0 BGAERO CC(C)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000037380055 190987466 /nfs/dbraw/zinc/98/74/66/190987466.db2.gz QTDHCZAEUJISPT-LLVKDONJSA-N 1 0 242.160 3.279 10 0 BGAERO CCC[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000037380063 343343965 /nfs/dbraw/zinc/34/39/65/343343965.db2.gz ICTRRKFDPZQIGG-NSHDSACASA-N 1 0 242.160 3.423 10 0 BGAERO CCC[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000037380066 348390187 /nfs/dbraw/zinc/39/01/87/348390187.db2.gz ICTRRKFDPZQIGG-LLVKDONJSA-N 1 0 242.160 3.423 10 0 BGAERO CC[C@](C)([NH3+])c1cccc(Br)c1 ZINC000037380112 348390028 /nfs/dbraw/zinc/39/00/28/348390028.db2.gz UHCRPCLZJNIVHE-JTQLQIEISA-N 1 0 228.133 3.033 10 0 BGAERO CC[C@@](C)([NH3+])c1cccc(Br)c1 ZINC000037380115 171170831 /nfs/dbraw/zinc/17/08/31/171170831.db2.gz UHCRPCLZJNIVHE-SNVBAGLBSA-N 1 0 228.133 3.033 10 0 BGAERO CC(C)[C@](C)([NH3+])c1cccc(Br)c1 ZINC000037380117 348390045 /nfs/dbraw/zinc/39/00/45/348390045.db2.gz QYCPQPHTGWYSMK-NSHDSACASA-N 1 0 242.160 3.279 10 0 BGAERO CC(C)[C@@](C)([NH3+])c1cccc(Br)c1 ZINC000037380120 348390078 /nfs/dbraw/zinc/39/00/78/348390078.db2.gz QYCPQPHTGWYSMK-LLVKDONJSA-N 1 0 242.160 3.279 10 0 BGAERO CC[C@](C)([NH3+])c1ccccc1Br ZINC000037380172 348389928 /nfs/dbraw/zinc/38/99/28/348389928.db2.gz QCHKFCCTSVHWCL-JTQLQIEISA-N 1 0 228.133 3.033 10 0 BGAERO CC[C@@](C)([NH3+])c1ccccc1Br ZINC000037380174 171170760 /nfs/dbraw/zinc/17/07/60/171170760.db2.gz QCHKFCCTSVHWCL-SNVBAGLBSA-N 1 0 228.133 3.033 10 0 BGAERO CC(C)[C@](C)([NH3+])c1ccccc1Br ZINC000037380176 348390016 /nfs/dbraw/zinc/39/00/16/348390016.db2.gz HIKSYBGHONFQEJ-NSHDSACASA-N 1 0 242.160 3.279 10 0 BGAERO CC(C)[C@@](C)([NH3+])c1ccccc1Br ZINC000037380179 348390266 /nfs/dbraw/zinc/39/02/66/348390266.db2.gz HIKSYBGHONFQEJ-LLVKDONJSA-N 1 0 242.160 3.279 10 0 BGAERO COc1ccc([C@@](C)([NH3+])C2CCCC2)cc1 ZINC000037380253 175186270 /nfs/dbraw/zinc/18/62/70/175186270.db2.gz UWAHSUVHRZJNAO-AWEZNQCLSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccc([C@](C)([NH3+])C2CCCC2)cc1 ZINC000037380256 175199857 /nfs/dbraw/zinc/19/98/57/175199857.db2.gz UWAHSUVHRZJNAO-CQSZACIVSA-N 1 0 219.328 3.059 10 0 BGAERO COc1cccc([C@@](C)([NH3+])C2CCCC2)c1 ZINC000037380286 175291868 /nfs/dbraw/zinc/29/18/68/175291868.db2.gz VBECUIKGOUZTSS-AWEZNQCLSA-N 1 0 219.328 3.059 10 0 BGAERO COc1cccc([C@](C)([NH3+])C2CCCC2)c1 ZINC000037380289 175296922 /nfs/dbraw/zinc/29/69/22/175296922.db2.gz VBECUIKGOUZTSS-CQSZACIVSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccccc1[C@@](C)([NH3+])C1CCCC1 ZINC000037380309 175350191 /nfs/dbraw/zinc/35/01/91/175350191.db2.gz NYJSAOLVQXMTQX-AWEZNQCLSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccccc1[C@](C)([NH3+])C1CCCC1 ZINC000037380312 175355427 /nfs/dbraw/zinc/35/54/27/175355427.db2.gz NYJSAOLVQXMTQX-CQSZACIVSA-N 1 0 219.328 3.059 10 0 BGAERO Cc1ccc(C)c(OC[C@@H]([NH3+])C(C)(C)C)c1C ZINC000037382279 178490268 /nfs/dbraw/zinc/49/02/68/178490268.db2.gz NSBGFWHCFTXZSW-CYBMUJFWSA-N 1 0 235.371 3.364 10 0 BGAERO CCC[NH2+]CCCOc1c(C)ccc(C)c1C ZINC000037382544 169257730 /nfs/dbraw/zinc/25/77/30/169257730.db2.gz JNPYSVWLDNQMAL-UHFFFAOYSA-N 1 0 235.371 3.380 10 0 BGAERO CC[C@H](C)[NH2+]CC(=O)Nc1ccc(C(C)C)cc1 ZINC000037386306 171339912 /nfs/dbraw/zinc/33/99/12/171339912.db2.gz WZQOEQZRHRIIIP-LBPRGKRZSA-N 1 0 248.370 3.137 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2cc(Cl)ccc2[nH]1 ZINC000037394538 171343683 /nfs/dbraw/zinc/34/36/83/171343683.db2.gz FGAMIBMZBSWXMP-QMMMGPOBSA-N 1 0 237.734 3.104 10 0 BGAERO CCC[NH2+]CCOc1c(Cl)cccc1Cl ZINC000037395127 169260410 /nfs/dbraw/zinc/26/04/10/169260410.db2.gz ZGWHWBAGWXCWCU-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO Cc1ccc(NCC[NH+](C(C)C)C(C)C)c(N)c1 ZINC000037401227 178758526 /nfs/dbraw/zinc/75/85/26/178758526.db2.gz WGOYPZRUAQJQGK-UHFFFAOYSA-N 1 0 249.402 3.108 10 0 BGAERO CCC[C@H]([NH3+])CCc1cccc(Cl)c1 ZINC000037408579 364007126 /nfs/dbraw/zinc/00/71/26/364007126.db2.gz SNOGRVGMFOAVQP-LBPRGKRZSA-N 1 0 211.736 3.400 10 0 BGAERO CCC[C@@H]([NH3+])CCc1cccc(Cl)c1 ZINC000037408580 364006373 /nfs/dbraw/zinc/00/63/73/364006373.db2.gz SNOGRVGMFOAVQP-GFCCVEGCSA-N 1 0 211.736 3.400 10 0 BGAERO CCC[C@H]([NH3+])CCc1ccc(Cl)cc1 ZINC000037408581 364006933 /nfs/dbraw/zinc/00/69/33/364006933.db2.gz XXRUVSABPGLWFB-LBPRGKRZSA-N 1 0 211.736 3.400 10 0 BGAERO CCC[C@@H]([NH3+])CCc1ccc(Cl)cc1 ZINC000037408582 364007048 /nfs/dbraw/zinc/00/70/48/364007048.db2.gz XXRUVSABPGLWFB-GFCCVEGCSA-N 1 0 211.736 3.400 10 0 BGAERO COc1ccc([C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000037409298 175179557 /nfs/dbraw/zinc/17/95/57/175179557.db2.gz WDFYFYNKPKJHBF-NSHDSACASA-N 1 0 213.708 3.004 10 0 BGAERO COc1ccc([C@H]([NH3+])C(C)C)c(Cl)c1 ZINC000037409299 175191283 /nfs/dbraw/zinc/19/12/83/175191283.db2.gz WDFYFYNKPKJHBF-LLVKDONJSA-N 1 0 213.708 3.004 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])c1ccccc1 ZINC000037409606 175082430 /nfs/dbraw/zinc/08/24/30/175082430.db2.gz YXSIGWLXQQBILQ-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])c1ccccc1 ZINC000037409607 175080079 /nfs/dbraw/zinc/08/00/79/175080079.db2.gz YXSIGWLXQQBILQ-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO Cc1cc(Cl)c(C(C)C)cc1OCCC[NH3+] ZINC000037418094 178060890 /nfs/dbraw/zinc/06/08/90/178060890.db2.gz IRZQNFNOPIBBOR-UHFFFAOYSA-N 1 0 241.762 3.499 10 0 BGAERO CCCC[C@H]([NH3+])c1nc2cc(C)ccc2n1C ZINC000037437774 169009514 /nfs/dbraw/zinc/00/95/14/169009514.db2.gz XGJJCYOTLGQSJM-NSHDSACASA-N 1 0 231.343 3.072 10 0 BGAERO CCC[C@](C)([NH3+])c1nc2cc(C)ccc2n1CC ZINC000037438063 169548814 /nfs/dbraw/zinc/54/88/14/169548814.db2.gz QCGODXQYOHZEMK-HNNXBMFYSA-N 1 0 245.370 3.339 10 0 BGAERO CCn1c2ccc(C)cc2nc1[C@H]([NH3+])C(C)C ZINC000037438118 188287087 /nfs/dbraw/zinc/28/70/87/188287087.db2.gz ABCJLTBSIYJYON-CYBMUJFWSA-N 1 0 231.343 3.020 10 0 BGAERO Cc1ccc2c(c1)nc([C@@H]1CCC[NH2+]1)n2C(C)C ZINC000037438588 178960305 /nfs/dbraw/zinc/96/03/05/178960305.db2.gz OWXVQONXSKOJJA-LBPRGKRZSA-N 1 0 243.354 3.350 10 0 BGAERO C[NH2+]CCCc1nc2cc(C)ccc2n1C(C)C ZINC000037438620 173350783 /nfs/dbraw/zinc/35/07/83/173350783.db2.gz ZLSIAZZBRDGZAP-UHFFFAOYSA-N 1 0 245.370 3.078 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2cc(C)ccc2n1C1CC1 ZINC000037438684 169393415 /nfs/dbraw/zinc/39/34/15/169393415.db2.gz ULYHAFXSOFINGC-GFCCVEGCSA-N 1 0 243.354 3.480 10 0 BGAERO Cc1ccc2c(c1)nc([C@H]1CCC[NH2+]1)n2C1CC1 ZINC000037438735 178961069 /nfs/dbraw/zinc/96/10/69/178961069.db2.gz NJKHBOVMGFTWTA-GFCCVEGCSA-N 1 0 241.338 3.104 10 0 BGAERO CC[C@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439684 171491866 /nfs/dbraw/zinc/49/18/66/171491866.db2.gz CIXZQLNMXNPVMO-JTQLQIEISA-N 1 0 235.306 3.166 10 0 BGAERO CC(C)[C@@H]([NH3+])c1nc2cc(F)ccc2n1C(C)C ZINC000037439734 187769218 /nfs/dbraw/zinc/76/92/18/187769218.db2.gz MMILHGQUSOULFM-CYBMUJFWSA-N 1 0 249.333 3.412 10 0 BGAERO CCC[C@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440235 364039357 /nfs/dbraw/zinc/03/93/57/364039357.db2.gz RKLOZMUFOUWXNZ-VIFPVBQESA-N 1 0 237.734 3.027 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2cc(Cl)ccc2n1C ZINC000037440237 169393760 /nfs/dbraw/zinc/39/37/60/169393760.db2.gz RKLOZMUFOUWXNZ-SECBINFHSA-N 1 0 237.734 3.027 10 0 BGAERO Cn1c2ccc(Cl)cc2nc1[C@@H]1CCCC[NH2+]1 ZINC000037440305 180624655 /nfs/dbraw/zinc/62/46/55/180624655.db2.gz DPJQMZTYFHBMCE-JTQLQIEISA-N 1 0 249.745 3.041 10 0 BGAERO CCCn1c2cccc(F)c2nc1[C@@H]1CCC[NH2+]1 ZINC000037442758 169615368 /nfs/dbraw/zinc/61/53/68/169615368.db2.gz HPJIJIJURFUXTJ-NSHDSACASA-N 1 0 247.317 3.010 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2c(cccc2F)n1C1CC1 ZINC000037443001 169394061 /nfs/dbraw/zinc/39/40/61/169394061.db2.gz YBYHMPNSRWIKLX-LLVKDONJSA-N 1 0 247.317 3.310 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2c(cccc2Cl)[nH]1 ZINC000037443743 169393705 /nfs/dbraw/zinc/39/37/05/169393705.db2.gz AWFZBLLBFRQEMK-MRVPVSSYSA-N 1 0 223.707 3.016 10 0 BGAERO COc1cccc([C@@]2([NH3+])CCC[C@@H](C)C2)c1 ZINC000037462822 175291455 /nfs/dbraw/zinc/29/14/55/175291455.db2.gz FERJHOKZBVMWFV-BXUZGUMPSA-N 1 0 219.328 3.059 10 0 BGAERO COc1cccc([C@@]2([NH3+])CCC[C@H](C)C2)c1 ZINC000037462824 175291535 /nfs/dbraw/zinc/29/15/35/175291535.db2.gz FERJHOKZBVMWFV-SMDDNHRTSA-N 1 0 219.328 3.059 10 0 BGAERO COc1cccc([C@]2([NH3+])CCC[C@@H](C)C2)c1 ZINC000037462826 175297577 /nfs/dbraw/zinc/29/75/77/175297577.db2.gz FERJHOKZBVMWFV-RISCZKNCSA-N 1 0 219.328 3.059 10 0 BGAERO COc1cccc([C@]2([NH3+])CCC[C@H](C)C2)c1 ZINC000037462828 175297685 /nfs/dbraw/zinc/29/76/85/175297685.db2.gz FERJHOKZBVMWFV-FZMZJTMJSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccccc1[C@@]1([NH3+])CCC[C@@H](C)C1 ZINC000037462863 175349525 /nfs/dbraw/zinc/34/95/25/175349525.db2.gz UAVIUUXQAVNNCV-BXUZGUMPSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccccc1[C@@]1([NH3+])CCC[C@H](C)C1 ZINC000037462865 175349814 /nfs/dbraw/zinc/34/98/14/175349814.db2.gz UAVIUUXQAVNNCV-SMDDNHRTSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccccc1[C@]1([NH3+])CCC[C@@H](C)C1 ZINC000037462868 175356499 /nfs/dbraw/zinc/35/64/99/175356499.db2.gz UAVIUUXQAVNNCV-RISCZKNCSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccccc1[C@]1([NH3+])CCC[C@H](C)C1 ZINC000037462870 175355984 /nfs/dbraw/zinc/35/59/84/175355984.db2.gz UAVIUUXQAVNNCV-FZMZJTMJSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccc([C@]2([NH3+])CCC[C@@H](C)C2)cc1 ZINC000037462885 188287200 /nfs/dbraw/zinc/28/72/00/188287200.db2.gz YBUVBFHXJZSYEI-RISCZKNCSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccccc1C1([NH3+])CCC(C)CC1 ZINC000037462897 175320501 /nfs/dbraw/zinc/32/05/01/175320501.db2.gz GVNKZDCKSIAMGT-UHFFFAOYSA-N 1 0 219.328 3.059 10 0 BGAERO COc1ccc(C2([NH3+])CCC(C)CC2)cc1 ZINC000037462901 175084319 /nfs/dbraw/zinc/08/43/19/175084319.db2.gz DMWBFIPXKANPBN-UHFFFAOYSA-N 1 0 219.328 3.059 10 0 BGAERO C[C@@H]1CCCC[C@]1([NH3+])Cc1cccc(F)c1 ZINC000037463535 176091101 /nfs/dbraw/zinc/09/11/01/176091101.db2.gz RMSBQUNORRUOCC-RISCZKNCSA-N 1 0 221.319 3.276 10 0 BGAERO C[C@H]1CCCC[C@]1([NH3+])Cc1cccc(F)c1 ZINC000037463536 177090104 /nfs/dbraw/zinc/09/01/04/177090104.db2.gz RMSBQUNORRUOCC-FZMZJTMJSA-N 1 0 221.319 3.276 10 0 BGAERO C[C@@H]1CCCC[C@@]1([NH3+])Cc1cccc(F)c1 ZINC000037463538 176083879 /nfs/dbraw/zinc/08/38/79/176083879.db2.gz RMSBQUNORRUOCC-BXUZGUMPSA-N 1 0 221.319 3.276 10 0 BGAERO C[C@H]1CCCC[C@@]1([NH3+])Cc1cccc(F)c1 ZINC000037463540 177084851 /nfs/dbraw/zinc/08/48/51/177084851.db2.gz RMSBQUNORRUOCC-SMDDNHRTSA-N 1 0 221.319 3.276 10 0 BGAERO CC[C@](C)([NH3+])Cc1ccc(Br)cc1 ZINC000037463725 348615772 /nfs/dbraw/zinc/61/57/72/348615772.db2.gz GTPBEEGZLSEMFD-NSHDSACASA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@@](C)([NH3+])Cc1ccc(Br)cc1 ZINC000037463727 348615983 /nfs/dbraw/zinc/61/59/83/348615983.db2.gz GTPBEEGZLSEMFD-LLVKDONJSA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@](C)([NH3+])Cc1cccc(Br)c1 ZINC000037463729 343345933 /nfs/dbraw/zinc/34/59/33/343345933.db2.gz ROYSZNFSJMVFIE-NSHDSACASA-N 1 0 242.160 3.119 10 0 BGAERO CC[C@@](C)([NH3+])Cc1cccc(Br)c1 ZINC000037463731 348615807 /nfs/dbraw/zinc/61/58/07/348615807.db2.gz ROYSZNFSJMVFIE-LLVKDONJSA-N 1 0 242.160 3.119 10 0 BGAERO CC(C)[C@](C)([NH3+])Cc1ccccc1Cl ZINC000037463806 167524348 /nfs/dbraw/zinc/52/43/48/167524348.db2.gz VRWROVCOHKKIEX-GFCCVEGCSA-N 1 0 211.736 3.256 10 0 BGAERO [NH3+]C1(CCc2ccccc2)CCCCC1 ZINC000037463903 409737628 /nfs/dbraw/zinc/73/76/28/409737628.db2.gz DJBIHDGQDKHFKB-UHFFFAOYSA-N 1 0 203.329 3.281 10 0 BGAERO COc1cccc([C@H]([NH3+])C2CCCCC2)c1 ZINC000037465994 175294444 /nfs/dbraw/zinc/29/44/44/175294444.db2.gz MJDVLXWUVJECOQ-CQSZACIVSA-N 1 0 219.328 3.275 10 0 BGAERO COc1cccc([C@@H]([NH3+])C2CCCCC2)c1 ZINC000037465996 175288618 /nfs/dbraw/zinc/28/86/18/175288618.db2.gz MJDVLXWUVJECOQ-AWEZNQCLSA-N 1 0 219.328 3.275 10 0 BGAERO CCOc1cccc([C@H]([NH3+])CC(C)C)c1 ZINC000037466065 364047687 /nfs/dbraw/zinc/04/76/87/364047687.db2.gz WZENXKBVVIPWLQ-CYBMUJFWSA-N 1 0 207.317 3.131 10 0 BGAERO CCOc1cccc([C@@H]([NH3+])CC(C)C)c1 ZINC000037466067 342932363 /nfs/dbraw/zinc/93/23/63/342932363.db2.gz WZENXKBVVIPWLQ-ZDUSSCGKSA-N 1 0 207.317 3.131 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1)c1cccc(F)c1 ZINC000037466117 409738538 /nfs/dbraw/zinc/73/85/38/409738538.db2.gz AMXHUKJWFXZFRA-AWEZNQCLSA-N 1 0 215.271 3.068 10 0 BGAERO [NH3+][C@H](Cc1ccccc1)c1cccc(F)c1 ZINC000037466119 409737373 /nfs/dbraw/zinc/73/73/73/409737373.db2.gz AMXHUKJWFXZFRA-CQSZACIVSA-N 1 0 215.271 3.068 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2cccc(F)c2)c1 ZINC000037466121 179200646 /nfs/dbraw/zinc/20/06/46/179200646.db2.gz OAGVJMVDLZFTKQ-AWEZNQCLSA-N 1 0 215.271 3.182 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2cccc(F)c2)c1 ZINC000037466123 179186934 /nfs/dbraw/zinc/18/69/34/179186934.db2.gz OAGVJMVDLZFTKQ-CQSZACIVSA-N 1 0 215.271 3.182 10 0 BGAERO [NH3+]C(c1cccc(F)c1)c1cccc(F)c1 ZINC000037466125 181324685 /nfs/dbraw/zinc/32/46/85/181324685.db2.gz VPAXOXYCHZVCFR-UHFFFAOYSA-N 1 0 219.234 3.013 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])c1cccc(F)c1 ZINC000037466127 179344105 /nfs/dbraw/zinc/34/41/05/179344105.db2.gz KYSXLRLNXWWXIR-CQSZACIVSA-N 1 0 215.271 3.182 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])c1cccc(F)c1 ZINC000037466129 179324152 /nfs/dbraw/zinc/32/41/52/179324152.db2.gz KYSXLRLNXWWXIR-AWEZNQCLSA-N 1 0 215.271 3.182 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccsc2)c1 ZINC000037466523 179201277 /nfs/dbraw/zinc/20/12/77/179201277.db2.gz UTDHKIFLOLFHOJ-LBPRGKRZSA-N 1 0 203.310 3.105 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccsc2)c1 ZINC000037466525 179185945 /nfs/dbraw/zinc/18/59/45/179185945.db2.gz UTDHKIFLOLFHOJ-GFCCVEGCSA-N 1 0 203.310 3.105 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])c1ccsc1 ZINC000037466543 179343414 /nfs/dbraw/zinc/34/34/14/179343414.db2.gz UAHOLBUYCLPMJE-GFCCVEGCSA-N 1 0 203.310 3.105 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])c1ccsc1 ZINC000037466545 179324453 /nfs/dbraw/zinc/32/44/53/179324453.db2.gz UAHOLBUYCLPMJE-LBPRGKRZSA-N 1 0 203.310 3.105 10 0 BGAERO CCC[C@H]([NH3+])c1cccc(Br)c1 ZINC000037466555 348616592 /nfs/dbraw/zinc/61/65/92/348616592.db2.gz ZQDPCRJEZHIKAK-JTQLQIEISA-N 1 0 228.133 3.249 10 0 BGAERO CCC[C@@H]([NH3+])c1cccc(Br)c1 ZINC000037466557 348616556 /nfs/dbraw/zinc/61/65/56/348616556.db2.gz ZQDPCRJEZHIKAK-SNVBAGLBSA-N 1 0 228.133 3.249 10 0 BGAERO CC(C)C[C@H]([NH3+])c1cccc(Br)c1 ZINC000037466563 348616523 /nfs/dbraw/zinc/61/65/23/348616523.db2.gz IGGKUMVNWSNTQD-NSHDSACASA-N 1 0 242.160 3.495 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1cccc(Br)c1 ZINC000037466565 348616551 /nfs/dbraw/zinc/61/65/51/348616551.db2.gz IGGKUMVNWSNTQD-LLVKDONJSA-N 1 0 242.160 3.495 10 0 BGAERO Cc1ccccc1C([NH3+])c1ccccc1C ZINC000037466900 179255390 /nfs/dbraw/zinc/25/53/90/179255390.db2.gz PDPZUUCRTFJFOZ-UHFFFAOYSA-N 1 0 211.308 3.352 10 0 BGAERO CCC[C@H]([NH3+])Cc1cccc(Br)c1 ZINC000037466957 364047964 /nfs/dbraw/zinc/04/79/64/364047964.db2.gz YDEHAQSJFSGFTD-NSHDSACASA-N 1 0 242.160 3.119 10 0 BGAERO CCC[C@@H]([NH3+])Cc1cccc(Br)c1 ZINC000037466959 364047905 /nfs/dbraw/zinc/04/79/05/364047905.db2.gz YDEHAQSJFSGFTD-LLVKDONJSA-N 1 0 242.160 3.119 10 0 BGAERO CC(C)(C)[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000037467017 348610254 /nfs/dbraw/zinc/61/02/54/348610254.db2.gz SMLSXZGXBYQNNH-LLVKDONJSA-N 1 0 211.736 3.256 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000037467019 348610433 /nfs/dbraw/zinc/61/04/33/348610433.db2.gz SMLSXZGXBYQNNH-NSHDSACASA-N 1 0 211.736 3.256 10 0 BGAERO CC[NH2+][C@@H](c1ccncc1)C1CCCCC1 ZINC000037467650 170148720 /nfs/dbraw/zinc/14/87/20/170148720.db2.gz CAPHSODPAOUMJZ-CQSZACIVSA-N 1 0 218.344 3.313 10 0 BGAERO CC[NH2+][C@H](c1ccncc1)C1CCCCC1 ZINC000037467652 170165177 /nfs/dbraw/zinc/16/51/77/170165177.db2.gz CAPHSODPAOUMJZ-AWEZNQCLSA-N 1 0 218.344 3.313 10 0 BGAERO C[NH2+][C@H](c1cccc(Br)c1)C(C)C ZINC000037467841 348610414 /nfs/dbraw/zinc/61/04/14/348610414.db2.gz FXRXEACITIPFIH-NSHDSACASA-N 1 0 242.160 3.366 10 0 BGAERO C[NH2+][C@@H](c1cccc(Br)c1)C(C)C ZINC000037467843 348610359 /nfs/dbraw/zinc/61/03/59/348610359.db2.gz FXRXEACITIPFIH-LLVKDONJSA-N 1 0 242.160 3.366 10 0 BGAERO CC(C)(C)[NH2+]CCc1nc2ccccc2s1 ZINC000037474980 166632241 /nfs/dbraw/zinc/63/22/41/166632241.db2.gz VYXZUYKZWZIMPK-UHFFFAOYSA-N 1 0 234.368 3.227 10 0 BGAERO CC(C)[NH2+]CCc1nc2cc(Cl)ccc2o1 ZINC000037475185 167108328 /nfs/dbraw/zinc/10/83/28/167108328.db2.gz CQHWXIQWNXOWPI-UHFFFAOYSA-N 1 0 238.718 3.022 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2ccc(C)cc2o1 ZINC000037475201 171343982 /nfs/dbraw/zinc/34/39/82/171343982.db2.gz ADYDSRYDUUZQAZ-JTQLQIEISA-N 1 0 218.300 3.024 10 0 BGAERO c1ccc(CC[NH2+]CCC2CCCC2)cc1 ZINC000037492971 712651907 /nfs/dbraw/zinc/65/19/07/712651907.db2.gz QIPOJKRDCFKLHK-UHFFFAOYSA-N 1 0 217.356 3.399 10 0 BGAERO CC(C)[C@@H](C)Nc1nc2ccccc2[nH]1 ZINC000037498305 167387560 /nfs/dbraw/zinc/38/75/60/167387560.db2.gz SUSNBPSEIXZGHC-SECBINFHSA-N 1 0 203.289 3.019 10 0 BGAERO Oc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000037501016 324570164 /nfs/dbraw/zinc/57/01/64/324570164.db2.gz FCAYXEVNXTWGSU-UHFFFAOYSA-N 1 0 233.355 3.452 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCc2cccnc2)CC(C)(C)C1 ZINC000037502686 323289803 /nfs/dbraw/zinc/28/98/03/323289803.db2.gz CHVWQRJFRXUVJX-HIFRSBDPSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCc2cccnc2)CC(C)(C)C1 ZINC000037502687 323289815 /nfs/dbraw/zinc/28/98/15/323289815.db2.gz CHVWQRJFRXUVJX-ZFWWWQNUSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCc2cccnc2)CC(C)(C)C1 ZINC000037502688 323289764 /nfs/dbraw/zinc/28/97/64/323289764.db2.gz CHVWQRJFRXUVJX-UKRRQHHQSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCc2cccnc2)CC(C)(C)C1 ZINC000037502689 323289897 /nfs/dbraw/zinc/28/98/97/323289897.db2.gz CHVWQRJFRXUVJX-DZGCQCFKSA-N 1 0 246.398 3.429 10 0 BGAERO COc1ccc([C@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000037504485 175192766 /nfs/dbraw/zinc/19/27/66/175192766.db2.gz CTDQIIMWMNSOJX-CQSZACIVSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccc([C@@H]([NH3+])c2ccccc2)c(Cl)c1 ZINC000037504486 175180220 /nfs/dbraw/zinc/18/02/20/175180220.db2.gz CTDQIIMWMNSOJX-AWEZNQCLSA-N 1 0 247.725 3.397 10 0 BGAERO Cc1ncc(C[NH2+][C@H]2CCc3ccccc32)s1 ZINC000037505489 180158188 /nfs/dbraw/zinc/15/81/88/180158188.db2.gz NYIAPLCFMGWXAG-AWEZNQCLSA-N 1 0 244.363 3.229 10 0 BGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000037507776 188107190 /nfs/dbraw/zinc/10/71/90/188107190.db2.gz FZQFCMPVAGPXCI-IHRRRGAJSA-N 1 0 239.403 3.217 10 0 BGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000037507778 188460982 /nfs/dbraw/zinc/46/09/82/188460982.db2.gz FZQFCMPVAGPXCI-MELADBBJSA-N 1 0 239.403 3.217 10 0 BGAERO Cc1nc2sccn2c1C[NH2+]C1CCCCC1 ZINC000037509862 180116973 /nfs/dbraw/zinc/11/69/73/180116973.db2.gz FRMIRNDQIJYORI-UHFFFAOYSA-N 1 0 249.383 3.127 10 0 BGAERO CC(C)c1nn(C)cc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000037510564 167699970 /nfs/dbraw/zinc/69/99/70/167699970.db2.gz YDLDBJSKVKRJTR-OCCSQVGLSA-N 1 0 249.402 3.212 10 0 BGAERO CC(C)c1nn(C)cc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000037510569 167699513 /nfs/dbraw/zinc/69/95/13/167699513.db2.gz YDLDBJSKVKRJTR-GXTWGEPZSA-N 1 0 249.402 3.212 10 0 BGAERO [NH3+][C@]1(c2ccc(F)cc2)CCCc2ccccc21 ZINC000037529468 181663432 /nfs/dbraw/zinc/66/34/32/181663432.db2.gz OHPKVCZGQIFAGY-INIZCTEOSA-N 1 0 241.309 3.364 10 0 BGAERO Cc1ccccc1[C@]1([NH3+])CCc2ccccc21 ZINC000037529579 179352484 /nfs/dbraw/zinc/35/24/84/179352484.db2.gz MTGJBBJSFVTGBQ-MRXNPFEDSA-N 1 0 223.319 3.144 10 0 BGAERO Cc1ccccc1[C@@]1([NH3+])CCc2ccccc21 ZINC000037529580 179333402 /nfs/dbraw/zinc/33/34/02/179333402.db2.gz MTGJBBJSFVTGBQ-INIZCTEOSA-N 1 0 223.319 3.144 10 0 BGAERO COc1cccc([C@@](C)([NH3+])c2ccc(C)cc2)c1 ZINC000037529615 175291694 /nfs/dbraw/zinc/29/16/94/175291694.db2.gz FGQQVFIDYXIJOO-INIZCTEOSA-N 1 0 241.334 3.226 10 0 BGAERO COc1cccc([C@](C)([NH3+])c2ccc(C)cc2)c1 ZINC000037529616 175296745 /nfs/dbraw/zinc/29/67/45/175296745.db2.gz FGQQVFIDYXIJOO-MRXNPFEDSA-N 1 0 241.334 3.226 10 0 BGAERO COc1cccc([C@@](C)([NH3+])c2ccccc2C)c1 ZINC000037529630 175291549 /nfs/dbraw/zinc/29/15/49/175291549.db2.gz PIIMXLVVUSSEMD-MRXNPFEDSA-N 1 0 241.334 3.226 10 0 BGAERO COc1cccc([C@](C)([NH3+])c2ccccc2C)c1 ZINC000037529631 175296986 /nfs/dbraw/zinc/29/69/86/175296986.db2.gz PIIMXLVVUSSEMD-INIZCTEOSA-N 1 0 241.334 3.226 10 0 BGAERO Cc1ccccc1[C@](C)([NH3+])c1ccc(F)cc1 ZINC000037529632 179351172 /nfs/dbraw/zinc/35/11/72/179351172.db2.gz BVUHRNZRZIEBST-OAHLLOKOSA-N 1 0 229.298 3.356 10 0 BGAERO Cc1ccccc1[C@@](C)([NH3+])c1ccc(F)cc1 ZINC000037529633 179332692 /nfs/dbraw/zinc/33/26/92/179332692.db2.gz BVUHRNZRZIEBST-HNNXBMFYSA-N 1 0 229.298 3.356 10 0 BGAERO Cc1ccccc1[C@](C)([NH3+])c1cccc(F)c1 ZINC000037529636 179350450 /nfs/dbraw/zinc/35/04/50/179350450.db2.gz BWNKSLGFVLDQBA-OAHLLOKOSA-N 1 0 229.298 3.356 10 0 BGAERO Cc1ccccc1[C@@](C)([NH3+])c1cccc(F)c1 ZINC000037529637 179332579 /nfs/dbraw/zinc/33/25/79/179332579.db2.gz BWNKSLGFVLDQBA-HNNXBMFYSA-N 1 0 229.298 3.356 10 0 BGAERO COc1ccc([C@@](C)([NH3+])c2ccccc2C)cc1 ZINC000037529641 175186480 /nfs/dbraw/zinc/18/64/80/175186480.db2.gz REKKPFGRYYWDTK-MRXNPFEDSA-N 1 0 241.334 3.226 10 0 BGAERO COc1ccc([C@](C)([NH3+])c2ccccc2C)cc1 ZINC000037529642 175199624 /nfs/dbraw/zinc/19/96/24/175199624.db2.gz REKKPFGRYYWDTK-INIZCTEOSA-N 1 0 241.334 3.226 10 0 BGAERO COc1cccc([C@](C)([NH3+])c2ccc(F)cc2)c1 ZINC000037529643 175296553 /nfs/dbraw/zinc/29/65/53/175296553.db2.gz GTXKDBJIYKFJDJ-OAHLLOKOSA-N 1 0 245.297 3.057 10 0 BGAERO COc1cccc([C@@](C)([NH3+])c2ccc(F)cc2)c1 ZINC000037529644 175291914 /nfs/dbraw/zinc/29/19/14/175291914.db2.gz GTXKDBJIYKFJDJ-HNNXBMFYSA-N 1 0 245.297 3.057 10 0 BGAERO COc1ccccc1[C@](C)([NH3+])c1ccc(F)cc1 ZINC000037529650 175356404 /nfs/dbraw/zinc/35/64/04/175356404.db2.gz OUZYMZYVKNPIKN-OAHLLOKOSA-N 1 0 245.297 3.057 10 0 BGAERO COc1ccccc1[C@@](C)([NH3+])c1ccc(F)cc1 ZINC000037529651 175350154 /nfs/dbraw/zinc/35/01/54/175350154.db2.gz OUZYMZYVKNPIKN-HNNXBMFYSA-N 1 0 245.297 3.057 10 0 BGAERO COc1cccc([C@@](C)([NH3+])c2cccc(C)c2)c1 ZINC000037529654 175291428 /nfs/dbraw/zinc/29/14/28/175291428.db2.gz CUHCTRQJHBYBMS-INIZCTEOSA-N 1 0 241.334 3.226 10 0 BGAERO COc1cccc([C@](C)([NH3+])c2cccc(C)c2)c1 ZINC000037529655 175296752 /nfs/dbraw/zinc/29/67/52/175296752.db2.gz CUHCTRQJHBYBMS-MRXNPFEDSA-N 1 0 241.334 3.226 10 0 BGAERO Cc1cccc([C@](C)([NH3+])c2cccc(F)c2)c1 ZINC000037529657 179205032 /nfs/dbraw/zinc/20/50/32/179205032.db2.gz JOZJCMXOEFRVIU-HNNXBMFYSA-N 1 0 229.298 3.356 10 0 BGAERO Cc1cccc([C@@](C)([NH3+])c2cccc(F)c2)c1 ZINC000037529658 179192018 /nfs/dbraw/zinc/19/20/18/179192018.db2.gz JOZJCMXOEFRVIU-OAHLLOKOSA-N 1 0 229.298 3.356 10 0 BGAERO COc1cccc([C@@](C)([NH3+])c2cccc(F)c2)c1 ZINC000037529663 175291992 /nfs/dbraw/zinc/29/19/92/175291992.db2.gz ZBBXHRNBALLZJP-HNNXBMFYSA-N 1 0 245.297 3.057 10 0 BGAERO COc1cccc([C@](C)([NH3+])c2cccc(F)c2)c1 ZINC000037529664 175296804 /nfs/dbraw/zinc/29/68/04/175296804.db2.gz ZBBXHRNBALLZJP-OAHLLOKOSA-N 1 0 245.297 3.057 10 0 BGAERO COc1ccc([C@@](C)([NH3+])c2cccc(F)c2)cc1 ZINC000037529668 175185971 /nfs/dbraw/zinc/18/59/71/175185971.db2.gz VGORYSMDCKYPJZ-OAHLLOKOSA-N 1 0 245.297 3.057 10 0 BGAERO COc1ccc([C@](C)([NH3+])c2cccc(F)c2)cc1 ZINC000037529669 175199744 /nfs/dbraw/zinc/19/97/44/175199744.db2.gz VGORYSMDCKYPJZ-HNNXBMFYSA-N 1 0 245.297 3.057 10 0 BGAERO COc1cccc([C@@](C)([NH3+])c2ccccc2F)c1 ZINC000037529670 175291864 /nfs/dbraw/zinc/29/18/64/175291864.db2.gz ZQRDNEOKKIZXQV-OAHLLOKOSA-N 1 0 245.297 3.057 10 0 BGAERO COc1cccc([C@](C)([NH3+])c2ccccc2F)c1 ZINC000037529671 175296787 /nfs/dbraw/zinc/29/67/87/175296787.db2.gz ZQRDNEOKKIZXQV-HNNXBMFYSA-N 1 0 245.297 3.057 10 0 BGAERO Cc1cccc([C@](C)([NH3+])c2ccccc2F)c1 ZINC000037529674 179205373 /nfs/dbraw/zinc/20/53/73/179205373.db2.gz IKGDQDVZGQZDJG-HNNXBMFYSA-N 1 0 229.298 3.356 10 0 BGAERO Cc1cccc([C@@](C)([NH3+])c2ccccc2F)c1 ZINC000037529675 179192074 /nfs/dbraw/zinc/19/20/74/179192074.db2.gz IKGDQDVZGQZDJG-OAHLLOKOSA-N 1 0 229.298 3.356 10 0 BGAERO Cc1cccc([C@@]2([NH3+])CCc3ccccc3C2)c1 ZINC000037529790 179192070 /nfs/dbraw/zinc/19/20/70/179192070.db2.gz AVYSWVLOPYGJAI-QGZVFWFLSA-N 1 0 237.346 3.338 10 0 BGAERO Cc1ccccc1C[C@]1([NH3+])CCc2ccccc21 ZINC000037530932 179291564 /nfs/dbraw/zinc/29/15/64/179291564.db2.gz RNQNPINBXLXXOE-QGZVFWFLSA-N 1 0 237.346 3.338 10 0 BGAERO Cc1ccccc1C[C@@]1([NH3+])CCc2ccccc21 ZINC000037530933 179289924 /nfs/dbraw/zinc/28/99/24/179289924.db2.gz RNQNPINBXLXXOE-KRWDZBQOSA-N 1 0 237.346 3.338 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1cccc(C)c1 ZINC000037532956 175347520 /nfs/dbraw/zinc/34/75/20/175347520.db2.gz QWQXYHFEURYJNS-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1cccc(C)c1 ZINC000037532957 175353738 /nfs/dbraw/zinc/35/37/38/175353738.db2.gz QWQXYHFEURYJNS-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1ccccc1C ZINC000037532963 175347942 /nfs/dbraw/zinc/34/79/42/175347942.db2.gz HKLOUQZBUFMVEG-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1ccccc1C ZINC000037532964 175353258 /nfs/dbraw/zinc/35/32/58/175353258.db2.gz HKLOUQZBUFMVEG-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CCOc2ccccc2)cc1 ZINC000037533085 178858505 /nfs/dbraw/zinc/85/85/05/178858505.db2.gz XHEPYPUOPZFGDT-INIZCTEOSA-N 1 0 241.334 3.464 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])CCOc1ccccc1 ZINC000037533092 179344109 /nfs/dbraw/zinc/34/41/09/179344109.db2.gz BNPRCVSLQGMLJX-MRXNPFEDSA-N 1 0 241.334 3.464 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])CCOc1ccccc1 ZINC000037533093 179324654 /nfs/dbraw/zinc/32/46/54/179324654.db2.gz BNPRCVSLQGMLJX-INIZCTEOSA-N 1 0 241.334 3.464 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2cccc(C)c2)c1 ZINC000037533233 175288845 /nfs/dbraw/zinc/28/88/45/175288845.db2.gz UFCHWKANALGRPN-HNNXBMFYSA-N 1 0 227.307 3.052 10 0 BGAERO COc1cccc([C@H]([NH3+])c2cccc(C)c2)c1 ZINC000037533234 175295280 /nfs/dbraw/zinc/29/52/80/175295280.db2.gz UFCHWKANALGRPN-OAHLLOKOSA-N 1 0 227.307 3.052 10 0 BGAERO Cc1cccc(C[C@H]([NH3+])c2cccc(F)c2)c1 ZINC000037533534 179105609 /nfs/dbraw/zinc/10/56/09/179105609.db2.gz WREVFXGEIDXRKF-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc(C[C@@H]([NH3+])c2cccc(F)c2)c1 ZINC000037533535 179104472 /nfs/dbraw/zinc/10/44/72/179104472.db2.gz WREVFXGEIDXRKF-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO COc1cccc([C@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000037533755 175294706 /nfs/dbraw/zinc/29/47/06/175294706.db2.gz KFNONGCTYKLRHA-CQSZACIVSA-N 1 0 247.725 3.397 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2cccc(Cl)c2)c1 ZINC000037533756 175288660 /nfs/dbraw/zinc/28/86/60/175288660.db2.gz KFNONGCTYKLRHA-AWEZNQCLSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000037533763 175353824 /nfs/dbraw/zinc/35/38/24/175353824.db2.gz AISPHBCJUHXMOQ-CQSZACIVSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000037533764 175347928 /nfs/dbraw/zinc/34/79/28/175347928.db2.gz AISPHBCJUHXMOQ-AWEZNQCLSA-N 1 0 247.725 3.397 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1ccc(C)c(F)c1 ZINC000037533989 175347077 /nfs/dbraw/zinc/34/70/77/175347077.db2.gz HALVTJJZZKCUEC-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1ccc(C)c(F)c1 ZINC000037533990 175353404 /nfs/dbraw/zinc/35/34/04/175353404.db2.gz HALVTJJZZKCUEC-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000037534279 173425594 /nfs/dbraw/zinc/42/55/94/173425594.db2.gz SAEFRZAWMBRTSH-INIZCTEOSA-N 1 0 243.325 3.199 10 0 BGAERO CC[NH2+][C@@H](Cc1cccc(C)c1)c1ccccn1 ZINC000037534503 170146881 /nfs/dbraw/zinc/14/68/81/170146881.db2.gz MYKAKEKRJIZPHI-INIZCTEOSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@H](Cc1cccc(C)c1)c1ccccn1 ZINC000037534504 170162639 /nfs/dbraw/zinc/16/26/39/170162639.db2.gz MYKAKEKRJIZPHI-MRXNPFEDSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@@H](CCc1ccccc1)c1ccccn1 ZINC000037534513 170145049 /nfs/dbraw/zinc/14/50/49/170145049.db2.gz QVEGVENOCJUNPD-INIZCTEOSA-N 1 0 240.350 3.365 10 0 BGAERO CC[NH2+][C@H](CCc1ccccc1)c1ccccn1 ZINC000037534514 170162547 /nfs/dbraw/zinc/16/25/47/170162547.db2.gz QVEGVENOCJUNPD-MRXNPFEDSA-N 1 0 240.350 3.365 10 0 BGAERO CC[NH2+][C@H](c1ccccn1)c1ccccc1C ZINC000037534515 170165119 /nfs/dbraw/zinc/16/51/19/170165119.db2.gz KAZCEKFTJNAOAK-HNNXBMFYSA-N 1 0 226.323 3.089 10 0 BGAERO CC[NH2+][C@@H](c1ccccn1)c1ccccc1C ZINC000037534516 170148388 /nfs/dbraw/zinc/14/83/88/170148388.db2.gz KAZCEKFTJNAOAK-OAHLLOKOSA-N 1 0 226.323 3.089 10 0 BGAERO CC[NH2+][C@H](c1cccnc1)c1cccc(C)c1 ZINC000037534597 170164992 /nfs/dbraw/zinc/16/49/92/170164992.db2.gz YQIPVJIWJYDYBC-HNNXBMFYSA-N 1 0 226.323 3.089 10 0 BGAERO CC[NH2+][C@@H](c1cccnc1)c1cccc(C)c1 ZINC000037534598 170148309 /nfs/dbraw/zinc/14/83/09/170148309.db2.gz YQIPVJIWJYDYBC-OAHLLOKOSA-N 1 0 226.323 3.089 10 0 BGAERO CC[NH2+][C@@H](Cc1cccc(C)c1)c1cccnc1 ZINC000037534599 170146092 /nfs/dbraw/zinc/14/60/92/170146092.db2.gz CTPZCENKNFAMQX-INIZCTEOSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@H](Cc1cccc(C)c1)c1cccnc1 ZINC000037534600 170162172 /nfs/dbraw/zinc/16/21/72/170162172.db2.gz CTPZCENKNFAMQX-MRXNPFEDSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@@H](CCc1ccccc1)c1cccnc1 ZINC000037534605 170144625 /nfs/dbraw/zinc/14/46/25/170144625.db2.gz ILAHKJVRQJJMJA-INIZCTEOSA-N 1 0 240.350 3.365 10 0 BGAERO CC[NH2+][C@H](CCc1ccccc1)c1cccnc1 ZINC000037534606 170162439 /nfs/dbraw/zinc/16/24/39/170162439.db2.gz ILAHKJVRQJJMJA-MRXNPFEDSA-N 1 0 240.350 3.365 10 0 BGAERO CCC[NH2+][C@H](c1cccnc1)c1cccc(F)c1 ZINC000037534627 169290867 /nfs/dbraw/zinc/29/08/67/169290867.db2.gz FBONYWBLTPYNHY-HNNXBMFYSA-N 1 0 244.313 3.310 10 0 BGAERO CCC[NH2+][C@@H](c1cccnc1)c1cccc(F)c1 ZINC000037534628 169280775 /nfs/dbraw/zinc/28/07/75/169280775.db2.gz FBONYWBLTPYNHY-OAHLLOKOSA-N 1 0 244.313 3.310 10 0 BGAERO CCC[NH2+][C@@H](c1cccnc1)c1ccccc1C ZINC000037534633 169280736 /nfs/dbraw/zinc/28/07/36/169280736.db2.gz JYIAHSSCBBFRHQ-INIZCTEOSA-N 1 0 240.350 3.479 10 0 BGAERO CCC[NH2+][C@H](c1cccnc1)c1ccccc1C ZINC000037534634 169290819 /nfs/dbraw/zinc/29/08/19/169290819.db2.gz JYIAHSSCBBFRHQ-MRXNPFEDSA-N 1 0 240.350 3.479 10 0 BGAERO CC[NH2+][C@@H](c1ccncc1)c1ccccc1C ZINC000037534681 170148927 /nfs/dbraw/zinc/14/89/27/170148927.db2.gz HGRZXGWNWADCTQ-HNNXBMFYSA-N 1 0 226.323 3.089 10 0 BGAERO CC[NH2+][C@H](c1ccncc1)c1ccccc1C ZINC000037534682 170165097 /nfs/dbraw/zinc/16/50/97/170165097.db2.gz HGRZXGWNWADCTQ-OAHLLOKOSA-N 1 0 226.323 3.089 10 0 BGAERO CCC[NH2+][C@@H](c1ccncc1)c1cccc(C)c1 ZINC000037534701 169280554 /nfs/dbraw/zinc/28/05/54/169280554.db2.gz HWHLXVCHQWEFFT-INIZCTEOSA-N 1 0 240.350 3.479 10 0 BGAERO CCC[NH2+][C@H](c1ccncc1)c1cccc(C)c1 ZINC000037534702 169290419 /nfs/dbraw/zinc/29/04/19/169290419.db2.gz HWHLXVCHQWEFFT-MRXNPFEDSA-N 1 0 240.350 3.479 10 0 BGAERO CCC[NH2+][C@@H](c1ccncc1)c1ccccc1C ZINC000037534711 169280922 /nfs/dbraw/zinc/28/09/22/169280922.db2.gz AAMYHIGOSZVYQY-INIZCTEOSA-N 1 0 240.350 3.479 10 0 BGAERO CCC[NH2+][C@H](c1ccncc1)c1ccccc1C ZINC000037534712 169290473 /nfs/dbraw/zinc/29/04/73/169290473.db2.gz AAMYHIGOSZVYQY-MRXNPFEDSA-N 1 0 240.350 3.479 10 0 BGAERO CC[NH2+][C@@H](c1ccsc1)c1ccccc1OC ZINC000037534723 170149311 /nfs/dbraw/zinc/14/93/11/170149311.db2.gz NSUQEGWDFQUWPF-AWEZNQCLSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@H](c1ccsc1)c1ccccc1OC ZINC000037534724 170165356 /nfs/dbraw/zinc/16/53/56/170165356.db2.gz NSUQEGWDFQUWPF-CQSZACIVSA-N 1 0 247.363 3.456 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccc1C)C[C@@H]1CCCO1 ZINC000037535197 170146414 /nfs/dbraw/zinc/14/64/14/170146414.db2.gz SFGCVMNDJNQFFH-HOTGVXAUSA-N 1 0 247.382 3.085 10 0 BGAERO CC[NH2+][C@H](Cc1ccccc1C)C[C@@H]1CCCO1 ZINC000037535198 170162166 /nfs/dbraw/zinc/16/21/66/170162166.db2.gz SFGCVMNDJNQFFH-CVEARBPZSA-N 1 0 247.382 3.085 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccc1C)C[C@H]1CCCO1 ZINC000037535199 170145716 /nfs/dbraw/zinc/14/57/16/170145716.db2.gz SFGCVMNDJNQFFH-JKSUJKDBSA-N 1 0 247.382 3.085 10 0 BGAERO CC[NH2+][C@H](Cc1ccccc1C)C[C@H]1CCCO1 ZINC000037535200 170162883 /nfs/dbraw/zinc/16/28/83/170162883.db2.gz SFGCVMNDJNQFFH-HZPDHXFCSA-N 1 0 247.382 3.085 10 0 BGAERO CC[NH2+][C@@H](CCc1ccccc1)C[C@@H]1CCCO1 ZINC000037535213 170145022 /nfs/dbraw/zinc/14/50/22/170145022.db2.gz LZTNNIBLQNUWMW-HOTGVXAUSA-N 1 0 247.382 3.166 10 0 BGAERO CC[NH2+][C@H](CCc1ccccc1)C[C@@H]1CCCO1 ZINC000037535214 170162448 /nfs/dbraw/zinc/16/24/48/170162448.db2.gz LZTNNIBLQNUWMW-CVEARBPZSA-N 1 0 247.382 3.166 10 0 BGAERO CC[NH2+][C@@H](CCc1ccccc1)C[C@H]1CCCO1 ZINC000037535215 170145231 /nfs/dbraw/zinc/14/52/31/170145231.db2.gz LZTNNIBLQNUWMW-JKSUJKDBSA-N 1 0 247.382 3.166 10 0 BGAERO CC[NH2+][C@H](CCc1ccccc1)C[C@H]1CCCO1 ZINC000037535216 170162151 /nfs/dbraw/zinc/16/21/51/170162151.db2.gz LZTNNIBLQNUWMW-HZPDHXFCSA-N 1 0 247.382 3.166 10 0 BGAERO C[NH2+][C@H](Cc1cccc(C)c1)c1ccccc1 ZINC000037535344 173454617 /nfs/dbraw/zinc/45/46/17/173454617.db2.gz SVEHAAIZGRYULJ-MRXNPFEDSA-N 1 0 225.335 3.498 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccn1)c1cccc(C)c1 ZINC000037535427 170145861 /nfs/dbraw/zinc/14/58/61/170145861.db2.gz GUKUGJSEMITIEN-INIZCTEOSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@H](Cc1ccccn1)c1cccc(C)c1 ZINC000037535428 170163619 /nfs/dbraw/zinc/16/36/19/170163619.db2.gz GUKUGJSEMITIEN-MRXNPFEDSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccn1)c1cccc(F)c1 ZINC000037535435 170146400 /nfs/dbraw/zinc/14/64/00/170146400.db2.gz OIHLDZJCECGSAT-HNNXBMFYSA-N 1 0 244.313 3.114 10 0 BGAERO CC[NH2+][C@H](Cc1ccccn1)c1cccc(F)c1 ZINC000037535436 170163540 /nfs/dbraw/zinc/16/35/40/170163540.db2.gz OIHLDZJCECGSAT-OAHLLOKOSA-N 1 0 244.313 3.114 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccccn1)C1CCCC1 ZINC000037535451 169279588 /nfs/dbraw/zinc/27/95/88/169279588.db2.gz IBHBQGXIUFANCQ-HNNXBMFYSA-N 1 0 232.371 3.183 10 0 BGAERO CCC[NH2+][C@H](Cc1ccccn1)C1CCCC1 ZINC000037535452 169290033 /nfs/dbraw/zinc/29/00/33/169290033.db2.gz IBHBQGXIUFANCQ-OAHLLOKOSA-N 1 0 232.371 3.183 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccccn1)c1ccccc1 ZINC000037535453 169278983 /nfs/dbraw/zinc/27/89/83/169278983.db2.gz HLTZOLJHERNJNO-INIZCTEOSA-N 1 0 240.350 3.365 10 0 BGAERO CCC[NH2+][C@H](Cc1ccccn1)c1ccccc1 ZINC000037535454 169289564 /nfs/dbraw/zinc/28/95/64/169289564.db2.gz HLTZOLJHERNJNO-MRXNPFEDSA-N 1 0 240.350 3.365 10 0 BGAERO CCC[NH2+][C@@H](c1cnccn1)C1CCCCC1 ZINC000037536060 169280784 /nfs/dbraw/zinc/28/07/84/169280784.db2.gz IDAKNYBHYKEQCX-CQSZACIVSA-N 1 0 233.359 3.098 10 0 BGAERO CCC[NH2+][C@H](c1cnccn1)C1CCCCC1 ZINC000037536061 169290942 /nfs/dbraw/zinc/29/09/42/169290942.db2.gz IDAKNYBHYKEQCX-AWEZNQCLSA-N 1 0 233.359 3.098 10 0 BGAERO CCC[NH2+][C@@H](c1ncccn1)C1CCCCC1 ZINC000037536344 169281168 /nfs/dbraw/zinc/28/11/68/169281168.db2.gz VWTMJNFYVNFBDL-CYBMUJFWSA-N 1 0 233.359 3.098 10 0 BGAERO CCC[NH2+][C@H](c1ncccn1)C1CCCCC1 ZINC000037536345 169290743 /nfs/dbraw/zinc/29/07/43/169290743.db2.gz VWTMJNFYVNFBDL-ZDUSSCGKSA-N 1 0 233.359 3.098 10 0 BGAERO CC[N@H+](C)Cc1cncc(-c2ccc(F)cc2)c1 ZINC000037553990 364178857 /nfs/dbraw/zinc/17/88/57/364178857.db2.gz MBEYOFUEUPWXGJ-UHFFFAOYSA-N 1 0 244.313 3.339 10 0 BGAERO [NH3+]C1CCC(c2nc3c(cccc3Cl)[nH]2)CC1 ZINC000037562285 181342300 /nfs/dbraw/zinc/34/23/00/181342300.db2.gz OQFSKDGUCRZSAX-UHFFFAOYSA-N 1 0 249.745 3.201 10 0 BGAERO [NH3+]C1CCC(c2nc(C3CCCCC3)no2)CC1 ZINC000037562321 181342386 /nfs/dbraw/zinc/34/23/86/181342386.db2.gz CYAKMJUEEUDOHT-UHFFFAOYSA-N 1 0 249.358 3.102 10 0 BGAERO c1ccc(CC[NH2+]C[C@@H]2Cc3ccccc32)cc1 ZINC000037565276 712665988 /nfs/dbraw/zinc/66/59/88/712665988.db2.gz MKVWOGSUCBCQTK-INIZCTEOSA-N 1 0 237.346 3.159 10 0 BGAERO c1ccc(CC[NH2+]C[C@H]2Cc3ccccc32)cc1 ZINC000037565277 712665943 /nfs/dbraw/zinc/66/59/43/712665943.db2.gz MKVWOGSUCBCQTK-MRXNPFEDSA-N 1 0 237.346 3.159 10 0 BGAERO CC(C)[NH2+]Cc1nc2ccccc2n1C(C)C ZINC000037599472 167122144 /nfs/dbraw/zinc/12/21/44/167122144.db2.gz SXXHOKHMYYWUMB-UHFFFAOYSA-N 1 0 231.343 3.115 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2cc(C)ccc2n1CC ZINC000037599621 171344606 /nfs/dbraw/zinc/34/46/06/171344606.db2.gz QQGBWNJYGGUTDE-LBPRGKRZSA-N 1 0 245.370 3.253 10 0 BGAERO Cc1ccc2c(c1)nc(C[NH2+]C(C)C)n2C1CC1 ZINC000037599651 178960883 /nfs/dbraw/zinc/96/08/83/178960883.db2.gz QUUBAIHXNXDALZ-UHFFFAOYSA-N 1 0 243.354 3.178 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2cc(F)ccc2n1CC ZINC000037599733 171344154 /nfs/dbraw/zinc/34/41/54/171344154.db2.gz OMXSQTYXPHBZJO-JTQLQIEISA-N 1 0 249.333 3.083 10 0 BGAERO CC(C)[NH2+]Cc1nc2cc(F)ccc2n1C1CC1 ZINC000037599763 167121877 /nfs/dbraw/zinc/12/18/77/167121877.db2.gz NGSNRFGCSHQZNI-UHFFFAOYSA-N 1 0 247.317 3.008 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2c(cccc2F)n1CC ZINC000037600045 171344465 /nfs/dbraw/zinc/34/44/65/171344465.db2.gz UUJSIHGPVXWJEG-JTQLQIEISA-N 1 0 249.333 3.083 10 0 BGAERO CC(C)[NH2+]Cc1nc2c(cccc2F)n1C1CC1 ZINC000037600075 167120968 /nfs/dbraw/zinc/12/09/68/167120968.db2.gz VJZPKVZTGOZFSY-UHFFFAOYSA-N 1 0 247.317 3.008 10 0 BGAERO COc1ccc(F)cc1[C@H]([NH3+])CC1CCCC1 ZINC000037601287 175134775 /nfs/dbraw/zinc/13/47/75/175134775.db2.gz YCYZJAZUQZXLIE-CYBMUJFWSA-N 1 0 237.318 3.414 10 0 BGAERO COc1ccc(F)cc1[C@@H]([NH3+])CC1CCCC1 ZINC000037601288 175132799 /nfs/dbraw/zinc/13/27/99/175132799.db2.gz YCYZJAZUQZXLIE-ZDUSSCGKSA-N 1 0 237.318 3.414 10 0 BGAERO Cc1ccc(-c2c[nH]c(C[NH2+]C(C)C)n2)c(C)c1 ZINC000037610464 178317776 /nfs/dbraw/zinc/31/77/76/178317776.db2.gz NBJZFUQYRPPNMJ-UHFFFAOYSA-N 1 0 243.354 3.192 10 0 BGAERO Cc1ccc(-c2c[nH]c([C@](C)([NH3+])C3CC3)n2)s1 ZINC000037615821 178329240 /nfs/dbraw/zinc/32/92/40/178329240.db2.gz ZHAYRNCDGDUFQP-CYBMUJFWSA-N 1 0 247.367 3.031 10 0 BGAERO Cc1ccc(-c2c[nH]c([C@@](C)([NH3+])C3CC3)n2)s1 ZINC000037615822 178329297 /nfs/dbraw/zinc/32/92/97/178329297.db2.gz ZHAYRNCDGDUFQP-ZDUSSCGKSA-N 1 0 247.367 3.031 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc(-c2ccccc2C)c[nH]1 ZINC000037617966 171344504 /nfs/dbraw/zinc/34/45/04/171344504.db2.gz ILMRZFWSSPBACS-LBPRGKRZSA-N 1 0 243.354 3.273 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc(-c2ccc(C)cc2)c[nH]1 ZINC000037618088 171343718 /nfs/dbraw/zinc/34/37/18/171343718.db2.gz SWGUWVDKZLXBAX-LBPRGKRZSA-N 1 0 243.354 3.273 10 0 BGAERO CCCC[C@H]([NH3+])C(=O)Nc1ccccc1CCC ZINC000037619984 169007515 /nfs/dbraw/zinc/00/75/15/169007515.db2.gz YQFMQQIHVSMVHW-ZDUSSCGKSA-N 1 0 248.370 3.095 10 0 BGAERO CCC[C@](C)([NH3+])CN1CCCc2cc(C)ccc21 ZINC000037620734 132345010 /nfs/dbraw/zinc/34/50/10/132345010.db2.gz BXQNFXJQMFPDTD-INIZCTEOSA-N 1 0 246.398 3.265 10 0 BGAERO CCC[C@@](C)([NH3+])CN1CCCc2cc(C)ccc21 ZINC000037620735 132345058 /nfs/dbraw/zinc/34/50/58/132345058.db2.gz BXQNFXJQMFPDTD-MRXNPFEDSA-N 1 0 246.398 3.265 10 0 BGAERO CCCC[C@H]([NH3+])CN1CCC[C@H]2CCCC[C@@H]21 ZINC000037620776 169008953 /nfs/dbraw/zinc/00/89/53/169008953.db2.gz FREAMYWETRUINJ-ILXRZTDVSA-N 1 0 238.419 3.159 10 0 BGAERO CSc1cc(C[C@H](C)[NH3+])c(SC)cc1C ZINC000037627725 175573535 /nfs/dbraw/zinc/57/35/35/175573535.db2.gz XFCQINWERPNOHI-VIFPVBQESA-N 1 0 241.425 3.329 10 0 BGAERO c1cc[n+](-c2cccc3ccccc32)cc1 ZINC000037630452 183378842 /nfs/dbraw/zinc/37/88/42/183378842.db2.gz TZERZXGABRDAMW-UHFFFAOYSA-N 1 0 206.268 3.117 10 0 BGAERO Cc1ccc(-c2c[nH]c(C[NH2+]C3CCCC3)n2)o1 ZINC000037631100 178328624 /nfs/dbraw/zinc/32/86/24/178328624.db2.gz KDXDIOMQXIFLQG-UHFFFAOYSA-N 1 0 245.326 3.010 10 0 BGAERO c1[nH]c(C[NH2+]C2CCCC2)nc1-c1ccccc1 ZINC000037631120 183380670 /nfs/dbraw/zinc/38/06/70/183380670.db2.gz ARDUVXCLBOFKDV-UHFFFAOYSA-N 1 0 241.338 3.109 10 0 BGAERO Cc1ccc(C)c(NC(=O)CCC[NH2+]C(C)C)c1 ZINC000037632587 188287244 /nfs/dbraw/zinc/28/72/44/188287244.db2.gz RFNNYAXZDGJUNQ-UHFFFAOYSA-N 1 0 248.370 3.020 10 0 BGAERO Cc1cccc(NC(=O)CCC[NH2+]C(C)C)c1C ZINC000037632794 179126310 /nfs/dbraw/zinc/12/63/10/179126310.db2.gz FAHFNVQOXDSSHN-UHFFFAOYSA-N 1 0 248.370 3.020 10 0 BGAERO CC(C)[NH2+]CCCc1nc(-c2cccs2)c[nH]1 ZINC000037635013 167102153 /nfs/dbraw/zinc/10/21/53/167102153.db2.gz HJMAJGQGHJXPDB-UHFFFAOYSA-N 1 0 249.383 3.069 10 0 BGAERO C[N@H+](CCNc1ccccc1)Cc1ccccc1 ZINC000037635412 343350355 /nfs/dbraw/zinc/35/03/55/343350355.db2.gz WESGUJQJHJQPBE-UHFFFAOYSA-N 1 0 240.350 3.231 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1ccccc1 ZINC000037635431 177116725 /nfs/dbraw/zinc/11/67/25/177116725.db2.gz ZNZRQGMHLPSWIA-OKILXGFUSA-N 1 0 232.371 3.361 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1CCNc1ccccc1 ZINC000037635432 177131468 /nfs/dbraw/zinc/13/14/68/177131468.db2.gz ZNZRQGMHLPSWIA-KBPBESRZSA-N 1 0 232.371 3.361 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1ccccc1 ZINC000037635433 176115444 /nfs/dbraw/zinc/11/54/44/176115444.db2.gz ZNZRQGMHLPSWIA-ZIAGYGMSSA-N 1 0 232.371 3.361 10 0 BGAERO Nc1[nH+]ccn1Cc1ccc(-c2ccccc2)cc1 ZINC000037635548 181803299 /nfs/dbraw/zinc/80/32/99/181803299.db2.gz QZDQSEPPNCYIET-UHFFFAOYSA-N 1 0 249.317 3.181 10 0 BGAERO CC[C@@H](C)c1ccc([C@@H]([NH3+])CCC(=O)OC)cc1 ZINC000037636211 170804927 /nfs/dbraw/zinc/80/49/27/170804927.db2.gz VMNAKMBXVNEIHK-RISCZKNCSA-N 1 0 249.354 3.153 10 0 BGAERO COc1ccc([C@@H](C)[NH3+])cc1COC1CCCC1 ZINC000037642346 175176420 /nfs/dbraw/zinc/17/64/20/175176420.db2.gz AWYAPRHAHUKBTJ-LLVKDONJSA-N 1 0 249.354 3.174 10 0 BGAERO CCCCOCc1cc([C@@H](C)[NH3+])ccc1OC ZINC000037642495 188287364 /nfs/dbraw/zinc/28/73/64/188287364.db2.gz BVWHYGKWSRJQNJ-LLVKDONJSA-N 1 0 237.343 3.032 10 0 BGAERO Cc1ccc(C)c(C(=O)C[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000037652214 187260178 /nfs/dbraw/zinc/26/01/78/187260178.db2.gz HKPHDGCKPDKGOJ-AWEZNQCLSA-N 1 0 247.382 3.462 10 0 BGAERO CCC(CC)[N@H+](C)CC(=O)c1ccc(F)cc1 ZINC000037652233 168367792 /nfs/dbraw/zinc/36/77/92/168367792.db2.gz SZESPYHDKQCXKH-UHFFFAOYSA-N 1 0 237.318 3.129 10 0 BGAERO C[NH2+][C@@H](C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000037658156 173425296 /nfs/dbraw/zinc/42/52/96/173425296.db2.gz MOWDQGORLHPEHV-STQMWFEESA-N 1 0 239.746 3.170 10 0 BGAERO C[NH2+][C@H](C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000037658159 173453462 /nfs/dbraw/zinc/45/34/62/173453462.db2.gz MOWDQGORLHPEHV-CHWSQXEVSA-N 1 0 239.746 3.170 10 0 BGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCCCC1=O ZINC000037660993 350283584 /nfs/dbraw/zinc/28/35/84/350283584.db2.gz QSHFDJQUBOSJPN-CQSZACIVSA-N 1 0 231.339 3.020 10 0 BGAERO C[N@H+](Cc1ccccc1)[C@H]1CCCCCC1=O ZINC000037660994 350283392 /nfs/dbraw/zinc/28/33/92/350283392.db2.gz QSHFDJQUBOSJPN-AWEZNQCLSA-N 1 0 231.339 3.020 10 0 BGAERO Cc1ccccc1C[N@@H+](C)[C@@H]1CCCCCC1=O ZINC000037661177 179270814 /nfs/dbraw/zinc/27/08/14/179270814.db2.gz VLHWDAWCLSETIU-OAHLLOKOSA-N 1 0 245.366 3.329 10 0 BGAERO Cc1ccccc1C[N@@H+](C)[C@H]1CCCCCC1=O ZINC000037661178 179269951 /nfs/dbraw/zinc/26/99/51/179269951.db2.gz VLHWDAWCLSETIU-HNNXBMFYSA-N 1 0 245.366 3.329 10 0 BGAERO C[NH2+][C@H]1C[C@@H](C)Sc2c(C)cccc21 ZINC000037665872 386098253 /nfs/dbraw/zinc/09/82/53/386098253.db2.gz QHJCHBQXLHYAAJ-KOLCDFICSA-N 1 0 207.342 3.140 10 0 BGAERO C[NH2+][C@H]1C[C@H](C)Sc2c(C)cccc21 ZINC000037665873 386098007 /nfs/dbraw/zinc/09/80/07/386098007.db2.gz QHJCHBQXLHYAAJ-ONGXEEELSA-N 1 0 207.342 3.140 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](C)Sc2c(C)cccc21 ZINC000037665874 386098762 /nfs/dbraw/zinc/09/87/62/386098762.db2.gz QHJCHBQXLHYAAJ-MWLCHTKSSA-N 1 0 207.342 3.140 10 0 BGAERO C[NH2+][C@@H]1C[C@H](C)Sc2c(C)cccc21 ZINC000037665875 386098917 /nfs/dbraw/zinc/09/89/17/386098917.db2.gz QHJCHBQXLHYAAJ-GXSJLCMTSA-N 1 0 207.342 3.140 10 0 BGAERO CC[NH2+][C@@H]1CCSc2c(C)cccc21 ZINC000037665906 170152724 /nfs/dbraw/zinc/15/27/24/170152724.db2.gz JDIKUJALUICODQ-LLVKDONJSA-N 1 0 207.342 3.141 10 0 BGAERO CC[NH2+][C@H]1CCSc2c(C)cccc21 ZINC000037665907 170168667 /nfs/dbraw/zinc/16/86/67/170168667.db2.gz JDIKUJALUICODQ-NSHDSACASA-N 1 0 207.342 3.141 10 0 BGAERO C[NH2+][C@H]1CCCSc2c(C)cccc21 ZINC000037665912 386098923 /nfs/dbraw/zinc/09/89/23/386098923.db2.gz DEWXNZLKMWKJKG-NSHDSACASA-N 1 0 207.342 3.141 10 0 BGAERO C[NH2+][C@@H]1CCCSc2c(C)cccc21 ZINC000037665913 386098442 /nfs/dbraw/zinc/09/84/42/386098442.db2.gz DEWXNZLKMWKJKG-LLVKDONJSA-N 1 0 207.342 3.141 10 0 BGAERO CC(C)Sc1ccc([C@@H](C)[NH3+])cc1F ZINC000037685926 167336739 /nfs/dbraw/zinc/33/67/39/167336739.db2.gz GHWBNQDNTFGEDO-MRVPVSSYSA-N 1 0 213.321 3.346 10 0 BGAERO CC(C)Sc1ccc([C@H](C)[NH3+])cc1F ZINC000037685927 167337278 /nfs/dbraw/zinc/33/72/78/167337278.db2.gz GHWBNQDNTFGEDO-QMMMGPOBSA-N 1 0 213.321 3.346 10 0 BGAERO CC(C)Sc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000037685928 167337263 /nfs/dbraw/zinc/33/72/63/167337263.db2.gz BOLFTMNGEROIJE-MRVPVSSYSA-N 1 0 213.321 3.346 10 0 BGAERO CC(C)Sc1ccc(F)cc1[C@H](C)[NH3+] ZINC000037685929 167336717 /nfs/dbraw/zinc/33/67/17/167336717.db2.gz BOLFTMNGEROIJE-QMMMGPOBSA-N 1 0 213.321 3.346 10 0 BGAERO CC(C)Sc1cccc(F)c1[C@@H](C)[NH3+] ZINC000037685930 167338898 /nfs/dbraw/zinc/33/88/98/167338898.db2.gz BGQYZMZULGNORA-MRVPVSSYSA-N 1 0 213.321 3.346 10 0 BGAERO CC(C)Sc1cccc(F)c1[C@H](C)[NH3+] ZINC000037685931 167338982 /nfs/dbraw/zinc/33/89/82/167338982.db2.gz BGQYZMZULGNORA-QMMMGPOBSA-N 1 0 213.321 3.346 10 0 BGAERO CC(C)Sc1c(C[NH3+])cnc2ccccc21 ZINC000037687282 167336174 /nfs/dbraw/zinc/33/61/74/167336174.db2.gz HWKQDHJEANFKEQ-UHFFFAOYSA-N 1 0 232.352 3.194 10 0 BGAERO [NH3+]C[C@H]1CCC[C@@H]1SC1CCCCC1 ZINC000037687306 181462494 /nfs/dbraw/zinc/46/24/94/181462494.db2.gz PTYCKWDHYKUBTF-PWSUYJOCSA-N 1 0 213.390 3.180 10 0 BGAERO CC(C)S[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000037687358 167335591 /nfs/dbraw/zinc/33/55/91/167335591.db2.gz AZCOMGBRIPZWPP-GHMZBOCLSA-N 1 0 201.379 3.036 10 0 BGAERO CC(C)S[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000037687360 167335592 /nfs/dbraw/zinc/33/55/92/167335592.db2.gz AZCOMGBRIPZWPP-MNOVXSKESA-N 1 0 201.379 3.036 10 0 BGAERO CC(C)S[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000037687362 167335042 /nfs/dbraw/zinc/33/50/42/167335042.db2.gz AZCOMGBRIPZWPP-WDEREUQCSA-N 1 0 201.379 3.036 10 0 BGAERO CC(C)S[C@H]1CCCCC[C@H]1C[NH3+] ZINC000037687364 167336076 /nfs/dbraw/zinc/33/60/76/167336076.db2.gz AZCOMGBRIPZWPP-QWRGUYRKSA-N 1 0 201.379 3.036 10 0 BGAERO C[C@@H]([NH3+])c1ccc(OCc2cccs2)cc1 ZINC000037697502 175817581 /nfs/dbraw/zinc/81/75/81/175817581.db2.gz UVLDZZJVRQLKNP-SNVBAGLBSA-N 1 0 233.336 3.347 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1OCc1cccs1 ZINC000037697700 188286909 /nfs/dbraw/zinc/28/69/09/188286909.db2.gz WIZALNJTLWTDSP-SNVBAGLBSA-N 1 0 233.336 3.347 10 0 BGAERO C[C@H]([NH3+])c1ccccc1OCc1ccsc1 ZINC000037697797 176777902 /nfs/dbraw/zinc/77/79/02/176777902.db2.gz GRDPFRYTNGENRV-JTQLQIEISA-N 1 0 233.336 3.347 10 0 BGAERO CC(C)=CCOc1cccc([C@H](C)[NH3+])c1 ZINC000037698173 187253462 /nfs/dbraw/zinc/25/34/62/187253462.db2.gz UYCXDSIGDSIKGX-NSHDSACASA-N 1 0 205.301 3.051 10 0 BGAERO COc1cc([C@H](C)[NH3+])ccc1OCC=C(C)C ZINC000037698379 175015391 /nfs/dbraw/zinc/01/53/91/175015391.db2.gz MUNLNINWPUGQES-NSHDSACASA-N 1 0 235.327 3.060 10 0 BGAERO c1ccc(CCCNc2cc[nH+]cc2)cc1 ZINC000037719638 183391551 /nfs/dbraw/zinc/39/15/51/183391551.db2.gz VNJCGIURYHYDPR-UHFFFAOYSA-N 1 0 212.296 3.126 10 0 BGAERO CC(C)=CCOc1c(C)cc(CC[NH3+])cc1C ZINC000037720207 187259831 /nfs/dbraw/zinc/25/98/31/187259831.db2.gz PDOPZMQYTOFYJD-UHFFFAOYSA-N 1 0 233.355 3.150 10 0 BGAERO Cc1cc(CC[NH3+])cc(C)c1OC1CCCC1 ZINC000037720246 177962864 /nfs/dbraw/zinc/96/28/64/177962864.db2.gz PYQQZONXPZEIBV-UHFFFAOYSA-N 1 0 233.355 3.126 10 0 BGAERO C/C=C/COc1ccc2ccccc2c1CC[NH3+] ZINC000037721502 188287820 /nfs/dbraw/zinc/28/78/20/188287820.db2.gz ZDLGGAPBPLZIGT-NSCUHMNNSA-N 1 0 241.334 3.296 10 0 BGAERO CC(C)Oc1ccc2ccccc2c1CC[NH3+] ZINC000037721534 167303945 /nfs/dbraw/zinc/30/39/45/167303945.db2.gz VOIMPMVBXQKYKV-UHFFFAOYSA-N 1 0 229.323 3.128 10 0 BGAERO [NH3+]CCc1c(OCC2CC2)ccc2ccccc21 ZINC000037721564 181411228 /nfs/dbraw/zinc/41/12/28/181411228.db2.gz SLIJZRKPEXBBLR-UHFFFAOYSA-N 1 0 241.334 3.130 10 0 BGAERO CC[C@H](C)Oc1c(C)cc(C[C@@H](C)[NH3+])cc1C ZINC000037723189 171356110 /nfs/dbraw/zinc/35/61/10/171356110.db2.gz JFIPWZLTOKCQPS-OLZOCXBDSA-N 1 0 235.371 3.370 10 0 BGAERO CC[C@H](C)Oc1c(C)cc(C[C@H](C)[NH3+])cc1C ZINC000037723191 171356549 /nfs/dbraw/zinc/35/65/49/171356549.db2.gz JFIPWZLTOKCQPS-STQMWFEESA-N 1 0 235.371 3.370 10 0 BGAERO CCCCOc1c(C)cc(C[C@@H](C)[NH3+])cc1C ZINC000037723198 168914046 /nfs/dbraw/zinc/91/40/46/168914046.db2.gz VNDAEGHINZIDIP-CYBMUJFWSA-N 1 0 235.371 3.372 10 0 BGAERO CCCCOc1c(C)cc(C[C@H](C)[NH3+])cc1C ZINC000037723199 168914179 /nfs/dbraw/zinc/91/41/79/168914179.db2.gz VNDAEGHINZIDIP-ZDUSSCGKSA-N 1 0 235.371 3.372 10 0 BGAERO CCCOc1c(C)cc(C[C@H]([NH3+])CC)cc1C ZINC000037723466 169313109 /nfs/dbraw/zinc/31/31/09/169313109.db2.gz PDKHNKVWGVMIQH-CQSZACIVSA-N 1 0 235.371 3.372 10 0 BGAERO CCCOc1c(C)cc(C[C@@H]([NH3+])CC)cc1C ZINC000037723467 169312984 /nfs/dbraw/zinc/31/29/84/169312984.db2.gz PDKHNKVWGVMIQH-AWEZNQCLSA-N 1 0 235.371 3.372 10 0 BGAERO CC[C@@H]([NH3+])Cc1cc(C)c(OC(C)C)c(C)c1 ZINC000037723469 170866384 /nfs/dbraw/zinc/86/63/84/170866384.db2.gz ILOCSSVKKQBKCJ-CQSZACIVSA-N 1 0 235.371 3.370 10 0 BGAERO CC[C@@H]([NH3+])Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000037723519 170865928 /nfs/dbraw/zinc/86/59/28/170865928.db2.gz WGEBNMCDYGZQCW-LLVKDONJSA-N 1 0 243.297 3.185 10 0 BGAERO CC[C@H]([NH3+])Cc1cc(C)c(OCC2CC2)c(C)c1 ZINC000037723532 171485300 /nfs/dbraw/zinc/48/53/00/171485300.db2.gz HVBSJTWEEQLMRV-HNNXBMFYSA-N 1 0 247.382 3.372 10 0 BGAERO C[C@@H]([NH3+])Cc1ccc(OC2CCCCC2)cc1 ZINC000037723571 175807489 /nfs/dbraw/zinc/80/74/89/175807489.db2.gz AEEUZIIZTHVAEN-GFCCVEGCSA-N 1 0 233.355 3.288 10 0 BGAERO C[C@@H]([NH3+])Cc1ccc(OCc2cccs2)cc1 ZINC000037723663 175807391 /nfs/dbraw/zinc/80/73/91/175807391.db2.gz CWXYPEMKKQTVOO-LLVKDONJSA-N 1 0 247.363 3.217 10 0 BGAERO CC[C@H]([NH3+])Cc1ccc(OCC=C(C)C)cc1 ZINC000037723898 171486555 /nfs/dbraw/zinc/48/65/55/171486555.db2.gz JJLSHTGLXJUVMF-AWEZNQCLSA-N 1 0 233.355 3.311 10 0 BGAERO CC[C@@H]([NH3+])Cc1ccc(OC2CCCC2)cc1 ZINC000037723973 170866344 /nfs/dbraw/zinc/86/63/44/170866344.db2.gz WUZWZDBNRDOXKK-CYBMUJFWSA-N 1 0 233.355 3.288 10 0 BGAERO C[C@@H]([NH3+])Cc1ccccc1OCc1cccs1 ZINC000037724307 175807237 /nfs/dbraw/zinc/80/72/37/175807237.db2.gz YDPYDUWCADGSEU-LLVKDONJSA-N 1 0 247.363 3.217 10 0 BGAERO CC[C@@H]([NH3+])Cc1ccccc1OCC=C(C)C ZINC000037724551 170866300 /nfs/dbraw/zinc/86/63/00/170866300.db2.gz LEAGJMIROGPALZ-CQSZACIVSA-N 1 0 233.355 3.311 10 0 BGAERO C[C@H]([NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC000037726528 176761439 /nfs/dbraw/zinc/76/14/39/176761439.db2.gz RHSLHPHRQRWTLD-ZDUSSCGKSA-N 1 0 241.334 3.155 10 0 BGAERO C[C@@H]([NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC000037726529 384003968 /nfs/dbraw/zinc/00/39/68/384003968.db2.gz RHSLHPHRQRWTLD-CYBMUJFWSA-N 1 0 241.334 3.155 10 0 BGAERO Cc1cc(C[NH3+])ccc1SC(C)(C)C ZINC000037733434 364563991 /nfs/dbraw/zinc/56/39/91/364563991.db2.gz BVRVPWIBFVQYQD-UHFFFAOYSA-N 1 0 209.358 3.344 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000037734685 175288703 /nfs/dbraw/zinc/28/87/03/175288703.db2.gz RKADTEAZVMGJGT-OAHLLOKOSA-N 1 0 245.297 3.191 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(F)c(C)c2)c1 ZINC000037734686 175294645 /nfs/dbraw/zinc/29/46/45/175294645.db2.gz RKADTEAZVMGJGT-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO CC(C)([NH3+])c1cc(F)c(Cl)cc1Cl ZINC000037735314 364564562 /nfs/dbraw/zinc/56/45/62/364564562.db2.gz HAVMUEGLFVDGND-UHFFFAOYSA-N 1 0 222.090 3.326 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCOC2)c(C)c1 ZINC000037738214 177874627 /nfs/dbraw/zinc/87/46/27/177874627.db2.gz NZNUEXSBFWMDNJ-LSDHHAIUSA-N 1 0 247.382 3.299 10 0 BGAERO c1cc(C[NH2+]CCC2CCCC2)cc2c1OCO2 ZINC000037739321 183368525 /nfs/dbraw/zinc/36/85/25/183368525.db2.gz ZVKADHCEIZOODS-UHFFFAOYSA-N 1 0 247.338 3.085 10 0 BGAERO CC(C)c1nn(C)cc1C[NH2+]CCC1CCCC1 ZINC000037739790 167699680 /nfs/dbraw/zinc/69/96/80/167699680.db2.gz SBDIZQCHDAPPNK-UHFFFAOYSA-N 1 0 249.402 3.213 10 0 BGAERO O[C@H]1CCCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000037741776 183231834 /nfs/dbraw/zinc/23/18/34/183231834.db2.gz ZNIMDXOSLMROPX-CABCVRRESA-N 1 0 239.403 3.240 10 0 BGAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000037741777 183231885 /nfs/dbraw/zinc/23/18/85/183231885.db2.gz ZNIMDXOSLMROPX-GJZGRUSLSA-N 1 0 239.403 3.240 10 0 BGAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCC1CCCCC1 ZINC000037741778 183188248 /nfs/dbraw/zinc/18/82/48/183188248.db2.gz ZNIMDXOSLMROPX-HUUCEWRRSA-N 1 0 239.403 3.240 10 0 BGAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCC1CCCCC1 ZINC000037741779 183186637 /nfs/dbraw/zinc/18/66/37/183186637.db2.gz ZNIMDXOSLMROPX-LSDHHAIUSA-N 1 0 239.403 3.240 10 0 BGAERO CCC[NH2+][C@@H]1CCN(CCC2CCCCC2)C1 ZINC000037741972 169281637 /nfs/dbraw/zinc/28/16/37/169281637.db2.gz RFFXIRMLSAZSTF-OAHLLOKOSA-N 1 0 238.419 3.031 10 0 BGAERO CCC[NH2+][C@H]1CCN(CCC2CCCCC2)C1 ZINC000037741973 169292058 /nfs/dbraw/zinc/29/20/58/169292058.db2.gz RFFXIRMLSAZSTF-HNNXBMFYSA-N 1 0 238.419 3.031 10 0 BGAERO CC(C)Oc1ccc(CCC2CC[NH2+]CC2)cc1 ZINC000037742890 167292216 /nfs/dbraw/zinc/29/22/16/167292216.db2.gz MJGJUWRFEACTSD-UHFFFAOYSA-N 1 0 247.382 3.406 10 0 BGAERO CCCC1CCC(CN)([N@H+](CC)C2CC2)CC1 ZINC000037742954 168604370 /nfs/dbraw/zinc/60/43/70/168604370.db2.gz TUIDPOALSSHXBB-UHFFFAOYSA-N 1 0 238.419 3.159 10 0 BGAERO CCC[C@@H]1CC[C@H](N)[C@H]([NH+]2CCCCCC2)C1 ZINC000037743064 169419650 /nfs/dbraw/zinc/41/96/50/169419650.db2.gz LRNUTXHYTACTQF-QLFBSQMISA-N 1 0 238.419 3.159 10 0 BGAERO Cc1cc(C)cc(C2([NH3+])Cc3ccccc3C2)c1 ZINC000037745927 177895536 /nfs/dbraw/zinc/89/55/36/177895536.db2.gz QCRITWGCLYGBQF-UHFFFAOYSA-N 1 0 237.346 3.256 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1cc(C)cc(C)c1 ZINC000037746082 175347195 /nfs/dbraw/zinc/34/71/95/175347195.db2.gz QELKJYSIDJZMHM-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1cc(C)cc(C)c1 ZINC000037746083 175353747 /nfs/dbraw/zinc/35/37/47/175353747.db2.gz QELKJYSIDJZMHM-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2cc(C)cc(C)c2)c1 ZINC000037746094 175289194 /nfs/dbraw/zinc/28/91/94/175289194.db2.gz KMVFRHREQZMUSC-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cccc([C@H]([NH3+])c2cc(C)cc(C)c2)c1 ZINC000037746095 175294919 /nfs/dbraw/zinc/29/49/19/175294919.db2.gz KMVFRHREQZMUSC-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO CC[NH2+][C@H](c1cc(C)cc(C)c1)c1ccccn1 ZINC000037746170 170163092 /nfs/dbraw/zinc/16/30/92/170163092.db2.gz XYGFOXKLNVBYRR-MRXNPFEDSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)cc(C)c1)c1ccccn1 ZINC000037746171 170146490 /nfs/dbraw/zinc/14/64/90/170146490.db2.gz XYGFOXKLNVBYRR-INIZCTEOSA-N 1 0 240.350 3.397 10 0 BGAERO C[NH2+][C@H](c1ccncc1)c1cc(C)cc(C)c1 ZINC000037746180 173459137 /nfs/dbraw/zinc/45/91/37/173459137.db2.gz DNRDAROEDBRYQU-OAHLLOKOSA-N 1 0 226.323 3.007 10 0 BGAERO CC[NH2+][C@@H](c1ccncc1)c1cc(C)cc(C)c1 ZINC000037746182 170148508 /nfs/dbraw/zinc/14/85/08/170148508.db2.gz OFHAJZVBLLTEIA-INIZCTEOSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@H](c1ccncc1)c1cc(C)cc(C)c1 ZINC000037746183 170165173 /nfs/dbraw/zinc/16/51/73/170165173.db2.gz OFHAJZVBLLTEIA-MRXNPFEDSA-N 1 0 240.350 3.397 10 0 BGAERO C[NH2+][C@@H](Cc1ccccn1)c1cc(C)cc(C)c1 ZINC000037746217 173425886 /nfs/dbraw/zinc/42/58/86/173425886.db2.gz QHMQJYRQJDUTTK-INIZCTEOSA-N 1 0 240.350 3.202 10 0 BGAERO Cc1ccc2oc(CC[NH2+]C(C)(C)C)nc2c1 ZINC000037746400 178988700 /nfs/dbraw/zinc/98/87/00/178988700.db2.gz QDTBWBPTAWSROA-UHFFFAOYSA-N 1 0 232.327 3.067 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2cc(C)ccc2o1 ZINC000037746410 171343870 /nfs/dbraw/zinc/34/38/70/171343870.db2.gz TZNPTGNWRMNUFN-JTQLQIEISA-N 1 0 218.300 3.024 10 0 BGAERO Cc1cccc(N[C@@H](C)c2ccc(C[NH3+])cc2)n1 ZINC000037748125 179152705 /nfs/dbraw/zinc/15/27/05/179152705.db2.gz JZZSEQSJZBVUGI-LBPRGKRZSA-N 1 0 241.338 3.022 10 0 BGAERO Cc1cccc(N[C@H](C)c2ccc(C[NH3+])cc2)n1 ZINC000037748126 179155780 /nfs/dbraw/zinc/15/57/80/179155780.db2.gz JZZSEQSJZBVUGI-GFCCVEGCSA-N 1 0 241.338 3.022 10 0 BGAERO CC[NH2+]Cc1cc(C)c(OCC(F)F)c(C)c1 ZINC000037755455 170125471 /nfs/dbraw/zinc/12/54/71/170125471.db2.gz VGJHCKSRBSCCQR-UHFFFAOYSA-N 1 0 243.297 3.057 10 0 BGAERO CC[NH2+][C@@H](CC)c1ccccc1OCC(F)F ZINC000037755511 170143935 /nfs/dbraw/zinc/14/39/35/170143935.db2.gz ZOQGONWWCLSITL-NSHDSACASA-N 1 0 243.297 3.391 10 0 BGAERO CC[NH2+][C@H](CC)c1ccccc1OCC(F)F ZINC000037755512 170161727 /nfs/dbraw/zinc/16/17/27/170161727.db2.gz ZOQGONWWCLSITL-LLVKDONJSA-N 1 0 243.297 3.391 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccc(OCC(F)F)cc1 ZINC000037755519 169276669 /nfs/dbraw/zinc/27/66/69/169276669.db2.gz RTZOMTTXIMJEIT-JTQLQIEISA-N 1 0 243.297 3.391 10 0 BGAERO CCC[NH2+][C@H](C)c1ccc(OCC(F)F)cc1 ZINC000037755520 169287271 /nfs/dbraw/zinc/28/72/71/169287271.db2.gz RTZOMTTXIMJEIT-SNVBAGLBSA-N 1 0 243.297 3.391 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccccc1OCC(F)F ZINC000037755531 169277441 /nfs/dbraw/zinc/27/74/41/169277441.db2.gz APZCAEDPRGJTNY-JTQLQIEISA-N 1 0 243.297 3.391 10 0 BGAERO CCC[NH2+][C@H](C)c1ccccc1OCC(F)F ZINC000037755532 169287175 /nfs/dbraw/zinc/28/71/75/169287175.db2.gz APZCAEDPRGJTNY-SNVBAGLBSA-N 1 0 243.297 3.391 10 0 BGAERO CCC[NH2+][C@@H](C)c1cccc(OCC(F)F)c1 ZINC000037755543 169276538 /nfs/dbraw/zinc/27/65/38/169276538.db2.gz AJZRTCYHXJGZHR-JTQLQIEISA-N 1 0 243.297 3.391 10 0 BGAERO CCC[NH2+][C@H](C)c1cccc(OCC(F)F)c1 ZINC000037755544 169286925 /nfs/dbraw/zinc/28/69/25/169286925.db2.gz AJZRTCYHXJGZHR-SNVBAGLBSA-N 1 0 243.297 3.391 10 0 BGAERO CC[NH2+][C@@H](CC)c1ccc(OCC(F)F)cc1 ZINC000037755547 170144339 /nfs/dbraw/zinc/14/43/39/170144339.db2.gz CBQSTHHWRWTEAM-LBPRGKRZSA-N 1 0 243.297 3.391 10 0 BGAERO CC[NH2+][C@H](CC)c1ccc(OCC(F)F)cc1 ZINC000037755548 170161406 /nfs/dbraw/zinc/16/14/06/170161406.db2.gz CBQSTHHWRWTEAM-GFCCVEGCSA-N 1 0 243.297 3.391 10 0 BGAERO CC[NH2+][C@@H](C)c1cc(C)ccc1OCC(F)F ZINC000037755586 170140935 /nfs/dbraw/zinc/14/09/35/170140935.db2.gz BMMXFXOZAFLATG-JTQLQIEISA-N 1 0 243.297 3.309 10 0 BGAERO CC[NH2+][C@H](C)c1cc(C)ccc1OCC(F)F ZINC000037755587 170159361 /nfs/dbraw/zinc/15/93/61/170159361.db2.gz BMMXFXOZAFLATG-SNVBAGLBSA-N 1 0 243.297 3.309 10 0 BGAERO CCC(CC)[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757122 168393655 /nfs/dbraw/zinc/39/36/55/168393655.db2.gz KBXCODGRHFIJEP-UHFFFAOYSA-N 1 0 230.311 3.129 10 0 BGAERO CCC[C@@H](C)[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757133 169371507 /nfs/dbraw/zinc/37/15/07/169371507.db2.gz KQZCVKIGKMSFCN-SNVBAGLBSA-N 1 0 230.311 3.129 10 0 BGAERO CC(C)C[C@H](C)[NH2+]c1cc2ccccc2c(=O)[nH]1 ZINC000037757188 188288347 /nfs/dbraw/zinc/28/83/47/188288347.db2.gz OUUQZMWXBDZPHS-NSHDSACASA-N 1 0 244.338 3.375 10 0 BGAERO C[C@@H]1C[C@H](C)C[N@H+]([C@H]2CNc3ccccc3C2)C1 ZINC000037761055 177314218 /nfs/dbraw/zinc/31/42/18/177314218.db2.gz TXSSOVGYXUTALV-VNHYZAJKSA-N 1 0 244.382 3.001 10 0 BGAERO C[C@@H]1C[C@@H](C)C[NH+]([C@H]2CNc3ccccc3C2)C1 ZINC000037761057 176361876 /nfs/dbraw/zinc/36/18/76/176361876.db2.gz TXSSOVGYXUTALV-UMVBOHGHSA-N 1 0 244.382 3.001 10 0 BGAERO CCC[NH+](CCC)[C@H]1CNc2ccccc2C1 ZINC000037761085 169152791 /nfs/dbraw/zinc/15/27/91/169152791.db2.gz ZALIJYBUTQLDHX-CQSZACIVSA-N 1 0 232.371 3.145 10 0 BGAERO CCC[NH+](CCC)[C@@H]1CNc2ccccc2C1 ZINC000037761086 169151491 /nfs/dbraw/zinc/15/14/91/169151491.db2.gz ZALIJYBUTQLDHX-AWEZNQCLSA-N 1 0 232.371 3.145 10 0 BGAERO c1ccc2c(c1)C[C@@H]([NH+]1CCCCCCC1)CN2 ZINC000037761089 183449335 /nfs/dbraw/zinc/44/93/35/183449335.db2.gz DZKBNAYFSQWMJV-OAHLLOKOSA-N 1 0 244.382 3.289 10 0 BGAERO CCC[N@H+](C(C)C)[C@H]1CNc2ccccc2C1 ZINC000037761102 169049661 /nfs/dbraw/zinc/04/96/61/169049661.db2.gz VQIZZILTWUTKHU-CQSZACIVSA-N 1 0 232.371 3.144 10 0 BGAERO CCC[N@H+](C(C)C)[C@@H]1CNc2ccccc2C1 ZINC000037761103 169049269 /nfs/dbraw/zinc/04/92/69/169049269.db2.gz VQIZZILTWUTKHU-AWEZNQCLSA-N 1 0 232.371 3.144 10 0 BGAERO CC[C@H](C)[N@H+](CC)[C@H]1CNc2ccccc2C1 ZINC000037761113 171311687 /nfs/dbraw/zinc/31/16/87/171311687.db2.gz BCDMNQACMJNKJE-GXTWGEPZSA-N 1 0 232.371 3.144 10 0 BGAERO CC[C@H](C)C[N@H+](C)[C@H]1CNc2ccccc2C1 ZINC000037761117 171274303 /nfs/dbraw/zinc/27/43/03/171274303.db2.gz LELZVFGSHGFUFW-GXTWGEPZSA-N 1 0 232.371 3.001 10 0 BGAERO CCC(CC)[N@H+](C)[C@H]1CNc2ccccc2C1 ZINC000037761136 168369637 /nfs/dbraw/zinc/36/96/37/168369637.db2.gz SACCDQJEIPDPBK-CQSZACIVSA-N 1 0 232.371 3.144 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H]1CNc2ccccc2C1 ZINC000037761137 168369821 /nfs/dbraw/zinc/36/98/21/168369821.db2.gz SACCDQJEIPDPBK-AWEZNQCLSA-N 1 0 232.371 3.144 10 0 BGAERO CCC[C@@H](C)[N@H+](C)[C@H]1CNc2ccccc2C1 ZINC000037761138 169366190 /nfs/dbraw/zinc/36/61/90/169366190.db2.gz BCQZTEQUWRJWKT-TZMCWYRMSA-N 1 0 232.371 3.144 10 0 BGAERO CC(C)[C@H]1CC[C@@H](C)C[C@@]1([NH3+])c1cccnc1 ZINC000037761352 188469784 /nfs/dbraw/zinc/46/97/84/188469784.db2.gz MTIHITNDQKSKEL-BPLDGKMQSA-N 1 0 232.371 3.328 10 0 BGAERO CC(C)[C@H]1CC[C@H](C)C[C@@]1([NH3+])c1cccnc1 ZINC000037761353 167483177 /nfs/dbraw/zinc/48/31/77/167483177.db2.gz MTIHITNDQKSKEL-NWANDNLSSA-N 1 0 232.371 3.328 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@]1([NH3+])c1cccnc1 ZINC000037761354 187260069 /nfs/dbraw/zinc/26/00/69/187260069.db2.gz MTIHITNDQKSKEL-VHDGCEQUSA-N 1 0 232.371 3.328 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(c2cccnc2)C1 ZINC000037761375 176052407 /nfs/dbraw/zinc/05/24/07/176052407.db2.gz ZDGOJUWJYGRLAI-RISCZKNCSA-N 1 0 218.344 3.082 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(c2cccnc2)C1 ZINC000037761376 177063749 /nfs/dbraw/zinc/06/37/49/177063749.db2.gz ZDGOJUWJYGRLAI-FZMZJTMJSA-N 1 0 218.344 3.082 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2cccnc2)C1 ZINC000037761377 176052252 /nfs/dbraw/zinc/05/22/52/176052252.db2.gz ZDGOJUWJYGRLAI-BXUZGUMPSA-N 1 0 218.344 3.082 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(c2cccnc2)C1 ZINC000037761378 177063785 /nfs/dbraw/zinc/06/37/85/177063785.db2.gz ZDGOJUWJYGRLAI-SMDDNHRTSA-N 1 0 218.344 3.082 10 0 BGAERO [NH3+]C1(c2cnc3ccccc3c2)CCCCC1 ZINC000037761384 181335513 /nfs/dbraw/zinc/33/55/13/181335513.db2.gz GYCRQKSQLJARSG-UHFFFAOYSA-N 1 0 226.323 3.353 10 0 BGAERO CC(C)(C)[C@H]1CCCC[C@]1([NH3+])c1cccnc1 ZINC000037761411 188115118 /nfs/dbraw/zinc/11/51/18/188115118.db2.gz VLABQLBOLAIOBI-HIFRSBDPSA-N 1 0 232.371 3.472 10 0 BGAERO CC(C)(C)[C@@H]1CCCC[C@@]1([NH3+])c1cccnc1 ZINC000037761412 188114691 /nfs/dbraw/zinc/11/46/91/188114691.db2.gz VLABQLBOLAIOBI-DZGCQCFKSA-N 1 0 232.371 3.472 10 0 BGAERO CC(C)[C@@](C)([NH3+])c1cnc2ccccc2c1 ZINC000037761500 188288188 /nfs/dbraw/zinc/28/81/88/188288188.db2.gz DKBPMHYDHBIOKF-CQSZACIVSA-N 1 0 214.312 3.065 10 0 BGAERO CC[C@H](C)[C@@](C)([NH3+])c1cnc2ccccc2c1 ZINC000037761532 171381879 /nfs/dbraw/zinc/38/18/79/171381879.db2.gz NYKZNOBSVDJPBL-XHDPSFHLSA-N 1 0 228.339 3.455 10 0 BGAERO CC[C@@]([NH3+])(c1cnc2ccccc2c1)C(C)C ZINC000037761537 171192998 /nfs/dbraw/zinc/19/29/98/171192998.db2.gz HOFZAMZXOMPUOW-HNNXBMFYSA-N 1 0 228.339 3.455 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1)c1cnc2ccccc2c1 ZINC000037761798 181556309 /nfs/dbraw/zinc/55/63/09/181556309.db2.gz LLFZCGNESHYNDB-INIZCTEOSA-N 1 0 248.329 3.477 10 0 BGAERO [NH3+][C@H](Cc1ccccc1)c1cnc2ccccc2c1 ZINC000037761799 181627818 /nfs/dbraw/zinc/62/78/18/181627818.db2.gz LLFZCGNESHYNDB-MRXNPFEDSA-N 1 0 248.329 3.477 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1cnc2ccccc2c1 ZINC000037761873 187260092 /nfs/dbraw/zinc/26/00/92/187260092.db2.gz OENQSGDVIJNEPN-CYBMUJFWSA-N 1 0 214.312 3.281 10 0 BGAERO C[NH2+][C@H](c1cnc2ccccc2c1)C(C)C ZINC000037762008 173458756 /nfs/dbraw/zinc/45/87/56/173458756.db2.gz JYPKMTPAIXOWOG-AWEZNQCLSA-N 1 0 214.312 3.151 10 0 BGAERO CC[NH2+][C@@H](CC)c1cnc2ccccc2c1 ZINC000037762040 170143809 /nfs/dbraw/zinc/14/38/09/170143809.db2.gz IKYMYMZMDMNULV-ZDUSSCGKSA-N 1 0 214.312 3.295 10 0 BGAERO CC[NH2+][C@H](CC)c1cnc2ccccc2c1 ZINC000037762041 170161274 /nfs/dbraw/zinc/16/12/74/170161274.db2.gz IKYMYMZMDMNULV-CYBMUJFWSA-N 1 0 214.312 3.295 10 0 BGAERO CCC[NH2+][C@@H](C)c1cnc2ccccc2c1 ZINC000037762048 169277188 /nfs/dbraw/zinc/27/71/88/169277188.db2.gz RZIWCAFJWSEYHL-NSHDSACASA-N 1 0 214.312 3.295 10 0 BGAERO CCC[NH2+][C@H](C)c1cnc2ccccc2c1 ZINC000037762049 169288144 /nfs/dbraw/zinc/28/81/44/169288144.db2.gz RZIWCAFJWSEYHL-LLVKDONJSA-N 1 0 214.312 3.295 10 0 BGAERO CC[NH2+][C@H](c1cccnc1)c1ccc(C)c(F)c1 ZINC000037762054 170164714 /nfs/dbraw/zinc/16/47/14/170164714.db2.gz LWLMLPODPHHJNO-HNNXBMFYSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@@H](c1cccnc1)c1ccc(C)c(F)c1 ZINC000037762055 170148419 /nfs/dbraw/zinc/14/84/19/170148419.db2.gz LWLMLPODPHHJNO-OAHLLOKOSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@@H](c1cnc2ccccc2c1)C1CC1 ZINC000037762074 170149717 /nfs/dbraw/zinc/14/97/17/170149717.db2.gz YRCYRZMJBFJALD-OAHLLOKOSA-N 1 0 226.323 3.295 10 0 BGAERO CC[NH2+][C@H](c1cnc2ccccc2c1)C1CC1 ZINC000037762075 170165095 /nfs/dbraw/zinc/16/50/95/170165095.db2.gz YRCYRZMJBFJALD-HNNXBMFYSA-N 1 0 226.323 3.295 10 0 BGAERO [NH3+][C@@H](c1cnc2ccccc2c1)C1CCCC1 ZINC000037762132 181568606 /nfs/dbraw/zinc/56/86/06/181568606.db2.gz APDBWALZLBUZHI-OAHLLOKOSA-N 1 0 226.323 3.425 10 0 BGAERO Cc1cc(C)c(NC2CC[NH+](C)CC2)c(C)c1 ZINC000037763571 177865688 /nfs/dbraw/zinc/86/56/88/177865688.db2.gz PUUOSEWKWZYGNQ-UHFFFAOYSA-N 1 0 232.371 3.118 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)c(C)c1 ZINC000037772084 384013918 /nfs/dbraw/zinc/01/39/18/384013918.db2.gz UMCUCVZKUVIZSV-CHWSQXEVSA-N 1 0 235.396 3.460 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)c(C)c1 ZINC000037772085 384013488 /nfs/dbraw/zinc/01/34/88/384013488.db2.gz UMCUCVZKUVIZSV-QWHCGFSZSA-N 1 0 235.396 3.460 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCSC2)c(C)c1 ZINC000037772086 384014088 /nfs/dbraw/zinc/01/40/88/384014088.db2.gz UMCUCVZKUVIZSV-OLZOCXBDSA-N 1 0 235.396 3.460 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCSC2)c(C)c1 ZINC000037772087 384013056 /nfs/dbraw/zinc/01/30/56/384013056.db2.gz UMCUCVZKUVIZSV-STQMWFEESA-N 1 0 235.396 3.460 10 0 BGAERO CCC[C@@H](C)Nc1cccnc1-n1ccnc1C ZINC000037772511 169372264 /nfs/dbraw/zinc/37/22/64/169372264.db2.gz OQEVRTWTXSZEAT-LLVKDONJSA-N 1 0 244.342 3.176 10 0 BGAERO C[C@H](Cc1c(F)cccc1F)[NH2+][C@H](C)C1CC1 ZINC000037775842 176721955 /nfs/dbraw/zinc/72/19/55/176721955.db2.gz TZXHOFJGXUQMBU-NXEZZACHSA-N 1 0 239.309 3.284 10 0 BGAERO C[C@@H](Cc1c(F)cccc1F)[NH2+]C1CCCC1 ZINC000037775951 175769717 /nfs/dbraw/zinc/76/97/17/175769717.db2.gz JFQLWWACVGQOSU-JTQLQIEISA-N 1 0 239.309 3.428 10 0 BGAERO Cc1ccccc1C[C@H](C)[NH2+][C@@H]1C[C@H]2CC=C[C@@H]21 ZINC000037777140 179290506 /nfs/dbraw/zinc/29/05/06/179290506.db2.gz ZZNFZHMWEDTJNP-PQEBFOHHSA-N 1 0 241.378 3.480 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000037872737 176893947 /nfs/dbraw/zinc/89/39/47/176893947.db2.gz INEZPUJOFJSXHS-CFVMTHIKSA-N 1 0 233.355 3.031 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](O)c1ccc(CC(C)C)cc1 ZINC000037873115 171342197 /nfs/dbraw/zinc/34/21/97/171342197.db2.gz FBABPFDATJRWCY-BBRMVZONSA-N 1 0 249.398 3.307 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000037873117 171341233 /nfs/dbraw/zinc/34/12/33/171341233.db2.gz FBABPFDATJRWCY-XJKSGUPXSA-N 1 0 249.398 3.307 10 0 BGAERO CC(C)C[NH2+]C[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000037873185 167007305 /nfs/dbraw/zinc/00/73/05/167007305.db2.gz GVNDRGRWUWHRLR-MRXNPFEDSA-N 1 0 249.398 3.164 10 0 BGAERO CC(C)C[NH2+]C[C@H](O)c1ccc(CC(C)C)cc1 ZINC000037873186 167006412 /nfs/dbraw/zinc/00/64/12/167006412.db2.gz GVNDRGRWUWHRLR-INIZCTEOSA-N 1 0 249.398 3.164 10 0 BGAERO CCCC[NH2+]C[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000037876103 168867576 /nfs/dbraw/zinc/86/75/76/168867576.db2.gz QXXCSNBTTDZDAR-MRXNPFEDSA-N 1 0 249.398 3.308 10 0 BGAERO CCCC[NH2+]C[C@@H](O)c1ccc(C(C)C)cc1 ZINC000037876109 168867690 /nfs/dbraw/zinc/86/76/90/168867690.db2.gz QZJJFMSWMHFBAF-OAHLLOKOSA-N 1 0 235.371 3.233 10 0 BGAERO O[C@@H]1CCCCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000037876905 712778843 /nfs/dbraw/zinc/77/88/43/712778843.db2.gz TURQXCNPFFIZCR-HUUCEWRRSA-N 1 0 239.403 3.383 10 0 BGAERO CC(C)(C)[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000037882924 343359360 /nfs/dbraw/zinc/35/93/60/343359360.db2.gz XAUKTRFCTGKZFR-HNNXBMFYSA-N 1 0 243.350 3.261 10 0 BGAERO CC(C)(C)[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000037882925 343144249 /nfs/dbraw/zinc/14/42/49/343144249.db2.gz XAUKTRFCTGKZFR-OAHLLOKOSA-N 1 0 243.350 3.261 10 0 BGAERO CC(C)Cc1ccc([C@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000037882936 187941848 /nfs/dbraw/zinc/94/18/48/187941848.db2.gz AQNUBRHNROYQSS-OAHLLOKOSA-N 1 0 249.398 3.307 10 0 BGAERO CC(C)Cc1ccc([C@@H](O)C[NH2+]C(C)(C)C)cc1 ZINC000037882937 188470383 /nfs/dbraw/zinc/47/03/83/188470383.db2.gz AQNUBRHNROYQSS-HNNXBMFYSA-N 1 0 249.398 3.307 10 0 BGAERO COc1cc([C@@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000037895588 175014718 /nfs/dbraw/zinc/01/47/18/175014718.db2.gz NOYDQDSRKHOHCC-NSHDSACASA-N 1 0 243.734 3.013 10 0 BGAERO COc1cc([C@H]([NH3+])C(C)C)cc(Cl)c1OC ZINC000037895589 175016503 /nfs/dbraw/zinc/01/65/03/175016503.db2.gz NOYDQDSRKHOHCC-LLVKDONJSA-N 1 0 243.734 3.013 10 0 BGAERO CC(C)[NH2+][C@@H]1CCOc2c(Cl)cc(F)cc21 ZINC000037901981 167135158 /nfs/dbraw/zinc/13/51/58/167135158.db2.gz VYWVUGKNUSFPIH-LLVKDONJSA-N 1 0 243.709 3.301 10 0 BGAERO CC(C)[NH2+][C@H]1CCOc2c(Cl)cc(F)cc21 ZINC000037901982 167139486 /nfs/dbraw/zinc/13/94/86/167139486.db2.gz VYWVUGKNUSFPIH-NSHDSACASA-N 1 0 243.709 3.301 10 0 BGAERO CCC[NH2+]CCCOc1ccc(F)cc1Cl ZINC000037902383 169256711 /nfs/dbraw/zinc/25/67/11/169256711.db2.gz CNWIQPAJLQGYSM-UHFFFAOYSA-N 1 0 245.725 3.248 10 0 BGAERO CCCC[C@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037903210 350291068 /nfs/dbraw/zinc/29/10/68/350291068.db2.gz ZKJKCRLBYBVPJG-NSHDSACASA-N 1 0 229.270 3.163 10 0 BGAERO CCCC[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037903211 350290779 /nfs/dbraw/zinc/29/07/79/350290779.db2.gz ZKJKCRLBYBVPJG-LLVKDONJSA-N 1 0 229.270 3.163 10 0 BGAERO COc1cc(F)c([C@H]([NH3+])C2CCCC2)c(F)c1 ZINC000037903252 174992636 /nfs/dbraw/zinc/99/26/36/174992636.db2.gz YCHIWNKFWQMOPE-CYBMUJFWSA-N 1 0 241.281 3.163 10 0 BGAERO CCC[C@@H](C)[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000037903280 169372515 /nfs/dbraw/zinc/37/25/15/169372515.db2.gz AOHYEHJSSRVPHT-AMIZOPFISA-N 1 0 243.297 3.409 10 0 BGAERO COc1cc(F)c([C@@H]([NH3+])CCC(C)C)c(F)c1 ZINC000037903282 350291189 /nfs/dbraw/zinc/29/11/89/350291189.db2.gz OXCMDCNYBIETBA-LBPRGKRZSA-N 1 0 243.297 3.409 10 0 BGAERO COc1cc(F)c([C@H]([NH3+])CCC(C)C)c(F)c1 ZINC000037903283 350290838 /nfs/dbraw/zinc/29/08/38/350290838.db2.gz OXCMDCNYBIETBA-GFCCVEGCSA-N 1 0 243.297 3.409 10 0 BGAERO COc1cc(F)c([C@@H]([NH3+])CC(C)C)c(F)c1 ZINC000037903354 343749738 /nfs/dbraw/zinc/74/97/38/343749738.db2.gz BYCGAGCAKXHRAH-NSHDSACASA-N 1 0 229.270 3.019 10 0 BGAERO COc1cc(F)c([C@H]([NH3+])CC(C)C)c(F)c1 ZINC000037903355 343749712 /nfs/dbraw/zinc/74/97/12/343749712.db2.gz BYCGAGCAKXHRAH-LLVKDONJSA-N 1 0 229.270 3.019 10 0 BGAERO COc1cc(F)c([C@@H]([NH3+])CC(C)(C)C)c(F)c1 ZINC000037903372 174993171 /nfs/dbraw/zinc/99/31/71/174993171.db2.gz YDFVJGLXLYEGLK-NSHDSACASA-N 1 0 243.297 3.409 10 0 BGAERO CCCC[C@H]([NH2+]C)c1c(F)cc(OC)cc1F ZINC000037903454 169012235 /nfs/dbraw/zinc/01/22/35/169012235.db2.gz WMIRNEVIBSFFHW-LBPRGKRZSA-N 1 0 243.297 3.424 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1c(F)cc(OC)cc1F ZINC000037903599 171399291 /nfs/dbraw/zinc/39/92/91/171399291.db2.gz STFZWUKGLLLSBK-SDBXPKJASA-N 1 0 243.297 3.280 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1c(F)cc(OC)cc1F ZINC000037903601 171373849 /nfs/dbraw/zinc/37/38/49/171373849.db2.gz STFZWUKGLLLSBK-ISVAXAHUSA-N 1 0 243.297 3.280 10 0 BGAERO CC[NH2+][C@@H](c1c(F)cc(OC)cc1F)C1CC1 ZINC000037903720 170146839 /nfs/dbraw/zinc/14/68/39/170146839.db2.gz MZDFLMSNALCDCK-CYBMUJFWSA-N 1 0 241.281 3.034 10 0 BGAERO CC[NH2+][C@H](c1c(F)cc(OC)cc1F)C1CC1 ZINC000037903721 170163112 /nfs/dbraw/zinc/16/31/12/170163112.db2.gz MZDFLMSNALCDCK-ZDUSSCGKSA-N 1 0 241.281 3.034 10 0 BGAERO CCC1CCC(C[NH2+]CCN(CC)CC)CC1 ZINC000037905737 168515362 /nfs/dbraw/zinc/51/53/62/168515362.db2.gz OVYPGYMGZJLKBK-UHFFFAOYSA-N 1 0 240.435 3.134 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)c1cc[nH]n1 ZINC000037906759 179321368 /nfs/dbraw/zinc/32/13/68/179321368.db2.gz MPRATUOADABNFY-NEPJUHHUSA-N 1 0 229.327 3.130 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cc[nH]n1 ZINC000037906760 179339370 /nfs/dbraw/zinc/33/93/70/179339370.db2.gz MPRATUOADABNFY-RYUDHWBXSA-N 1 0 229.327 3.130 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)c1cc[nH]n1 ZINC000037906761 179323125 /nfs/dbraw/zinc/32/31/25/179323125.db2.gz MPRATUOADABNFY-VXGBXAGGSA-N 1 0 229.327 3.130 10 0 BGAERO C[C@H]1CCCN1c1ccc(N)c(C(F)(F)F)c1 ZINC000037910204 177111897 /nfs/dbraw/zinc/11/18/97/177111897.db2.gz NRJJIYLGQMHDFV-QMMMGPOBSA-N 1 0 244.260 3.276 10 0 BGAERO C[C@@H]1CCC[N@@H+]1[C@]1(CN)C[C@H](C)CC(C)(C)C1 ZINC000037910501 176052540 /nfs/dbraw/zinc/05/25/40/176052540.db2.gz LMTZEQIMQIWEPV-UMVBOHGHSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@@H]1CCC[N@@H+]1[C@@H]1C[C@H](C(C)(C)C)CC[C@@H]1N ZINC000037910597 176110103 /nfs/dbraw/zinc/11/01/03/176110103.db2.gz PMWNRNSOIULGJC-YIYPIFLZSA-N 1 0 238.419 3.013 10 0 BGAERO CCc1ccc([C@@H](N)[C@H](C)[N@@H+]2CCC[C@@H]2C)cc1 ZINC000037910696 171834803 /nfs/dbraw/zinc/83/48/03/171834803.db2.gz SOVJEBHLYKODGT-XEZPLFJOSA-N 1 0 246.398 3.122 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1N1CCC[C@@H]1C ZINC000037911150 170141717 /nfs/dbraw/zinc/14/17/17/170141717.db2.gz SPVMNTXCDWZLFJ-STQMWFEESA-N 1 0 232.371 3.346 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1N1CCC[C@@H]1C ZINC000037911151 170160155 /nfs/dbraw/zinc/16/01/55/170160155.db2.gz SPVMNTXCDWZLFJ-QWHCGFSZSA-N 1 0 232.371 3.346 10 0 BGAERO C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2 ZINC000037911202 176110635 /nfs/dbraw/zinc/11/06/35/176110635.db2.gz UPMPAQPIGFAKST-GFCCVEGCSA-N 1 0 230.355 3.029 10 0 BGAERO C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)CCCN2 ZINC000037911203 177110503 /nfs/dbraw/zinc/11/05/03/177110503.db2.gz UPMPAQPIGFAKST-LBPRGKRZSA-N 1 0 230.355 3.029 10 0 BGAERO CCc1ccc(C(=O)[C@@H](C)[N@@H+]2CCC[C@@H]2C)cc1 ZINC000037911570 171788275 /nfs/dbraw/zinc/78/82/75/171788275.db2.gz VIBLAPPRRHMNDE-QWHCGFSZSA-N 1 0 245.366 3.305 10 0 BGAERO CC[C@H](C(=O)c1ccccc1)[N@@H+]1CCC[C@@H]1C ZINC000037911693 171241826 /nfs/dbraw/zinc/24/18/26/171241826.db2.gz DOMMQFQIQGRCMI-GXTWGEPZSA-N 1 0 231.339 3.132 10 0 BGAERO CCC[NH2+]Cc1ccccc1N1CCC[C@@H]1C ZINC000037911774 169268401 /nfs/dbraw/zinc/26/84/01/169268401.db2.gz NHZJIUPKKOVMGG-ZDUSSCGKSA-N 1 0 232.371 3.175 10 0 BGAERO CCC[NH2+]Cc1ccccc1N1CCC[C@H]1C ZINC000037911775 169268193 /nfs/dbraw/zinc/26/81/93/169268193.db2.gz NHZJIUPKKOVMGG-CYBMUJFWSA-N 1 0 232.371 3.175 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1N1CCC[C@H]1C ZINC000037911776 167121701 /nfs/dbraw/zinc/12/17/01/167121701.db2.gz WXJRHFVGBWGJPN-CYBMUJFWSA-N 1 0 232.371 3.173 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1N1CCC[C@@H]1C ZINC000037911777 167121507 /nfs/dbraw/zinc/12/15/07/167121507.db2.gz WXJRHFVGBWGJPN-ZDUSSCGKSA-N 1 0 232.371 3.173 10 0 BGAERO C[C@@H]1CCCN1c1ccc(F)cc1C[NH2+]C1CC1 ZINC000037911830 176111403 /nfs/dbraw/zinc/11/14/03/176111403.db2.gz KGERBQAAOLXGMX-LLVKDONJSA-N 1 0 248.345 3.066 10 0 BGAERO C[C@H]1CCCN1c1ccc(F)cc1C[NH2+]C1CC1 ZINC000037911831 177112280 /nfs/dbraw/zinc/11/22/80/177112280.db2.gz KGERBQAAOLXGMX-NSHDSACASA-N 1 0 248.345 3.066 10 0 BGAERO CC[C@H]1CCC[N@@H+]1C[C@H](N)c1cc(C)ccc1C ZINC000037913661 171620384 /nfs/dbraw/zinc/62/03/84/171620384.db2.gz XJWQCROEIDIEFZ-HOCLYGCPSA-N 1 0 246.398 3.178 10 0 BGAERO CC[C@@H]1CCCN1c1ccccc1[C@@H](C)[NH3+] ZINC000037914104 170985052 /nfs/dbraw/zinc/98/50/52/170985052.db2.gz ZHCXBARYUUNRLI-VXGBXAGGSA-N 1 0 218.344 3.085 10 0 BGAERO CC[C@H]1CCCN1c1ccccc1[C@@H](C)[NH3+] ZINC000037914105 171622535 /nfs/dbraw/zinc/62/25/35/171622535.db2.gz ZHCXBARYUUNRLI-NEPJUHHUSA-N 1 0 218.344 3.085 10 0 BGAERO CC[NH2+]Cc1ccccc1N1CCC[C@H]1CC ZINC000037914731 170128670 /nfs/dbraw/zinc/12/86/70/170128670.db2.gz QPWMCAPSMNBCSC-CQSZACIVSA-N 1 0 232.371 3.175 10 0 BGAERO CC[NH2+]Cc1ccccc1N1CCC[C@@H]1CC ZINC000037914732 170128020 /nfs/dbraw/zinc/12/80/20/170128020.db2.gz QPWMCAPSMNBCSC-AWEZNQCLSA-N 1 0 232.371 3.175 10 0 BGAERO CC(C)[C@H]([C@H](N)c1ccccc1)[N@H+](C)CC1CC1 ZINC000037925483 188289652 /nfs/dbraw/zinc/28/96/52/188289652.db2.gz AZTDCKPFVATORD-HZPDHXFCSA-N 1 0 246.398 3.053 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1N(C)CC1CC1 ZINC000037925693 170141936 /nfs/dbraw/zinc/14/19/36/170141936.db2.gz PEDIBNBLRJHXBC-LBPRGKRZSA-N 1 0 232.371 3.203 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1N(C)CC1CC1 ZINC000037925694 170159948 /nfs/dbraw/zinc/15/99/48/170159948.db2.gz PEDIBNBLRJHXBC-GFCCVEGCSA-N 1 0 232.371 3.203 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1N(C)CC1CC1 ZINC000037925999 167122090 /nfs/dbraw/zinc/12/20/90/167122090.db2.gz NREFXUQTTXQZRU-UHFFFAOYSA-N 1 0 232.371 3.031 10 0 BGAERO CC(C)(C)[NH2+]CCc1ccccc1Cl ZINC000037927186 166632170 /nfs/dbraw/zinc/63/21/70/166632170.db2.gz WAXBQAQFZUGUGN-UHFFFAOYSA-N 1 0 211.736 3.271 10 0 BGAERO Cc1cc(C[NH2+]C(C)(C)C)c2ccccc2n1 ZINC000037927194 178016424 /nfs/dbraw/zinc/01/64/24/178016424.db2.gz GYUBMPVZBIGYCQ-UHFFFAOYSA-N 1 0 228.339 3.431 10 0 BGAERO Cc1cc(C[NH2+]CC(C)C)c2ccccc2n1 ZINC000037927255 178021457 /nfs/dbraw/zinc/02/14/57/178021457.db2.gz BLYHVXAFQHXOAS-UHFFFAOYSA-N 1 0 228.339 3.289 10 0 BGAERO Cc1cc(C[NH2+]CC2CC2)c2ccccc2n1 ZINC000037927775 178020577 /nfs/dbraw/zinc/02/05/77/178020577.db2.gz OSMSQYDZAAHLHG-UHFFFAOYSA-N 1 0 226.323 3.043 10 0 BGAERO CCCC(C[NH3+])(CCC)c1ccccc1 ZINC000037934503 343145062 /nfs/dbraw/zinc/14/50/62/343145062.db2.gz YBRDFWBPEXCHBP-UHFFFAOYSA-N 1 0 205.345 3.483 10 0 BGAERO CCC(CC)(C[NH3+])c1ccc(OC(F)F)cc1 ZINC000037934507 168324222 /nfs/dbraw/zinc/32/42/22/168324222.db2.gz RTPDRVXRTCFEQS-UHFFFAOYSA-N 1 0 243.297 3.305 10 0 BGAERO CCCC(C[NH3+])(CCC)c1ccc2c(c1)OCO2 ZINC000037934530 168584955 /nfs/dbraw/zinc/58/49/55/168584955.db2.gz LGKIWBQWBCLTMF-UHFFFAOYSA-N 1 0 249.354 3.212 10 0 BGAERO CCC([NH3+])(CC)c1ccc(Br)cc1 ZINC000037934557 350291673 /nfs/dbraw/zinc/29/16/73/350291673.db2.gz GXNMIZKAPDSBHJ-UHFFFAOYSA-N 1 0 242.160 3.423 10 0 BGAERO CCC([NH3+])(CC)c1cccc(Br)c1 ZINC000037934590 350292144 /nfs/dbraw/zinc/29/21/44/350292144.db2.gz QHOGUKMVGLANSS-UHFFFAOYSA-N 1 0 242.160 3.423 10 0 BGAERO CC(C)(CNc1cc[nH+]cc1)c1ccccc1 ZINC000037935124 187261380 /nfs/dbraw/zinc/26/13/80/187261380.db2.gz MOQJPSDAWPRSNJ-UHFFFAOYSA-N 1 0 226.323 3.471 10 0 BGAERO CC(C)c1ccc(C[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000037947327 167601197 /nfs/dbraw/zinc/60/11/97/167601197.db2.gz BTGIYIVDBJAMCO-NWDGAFQWSA-N 1 0 205.345 3.336 10 0 BGAERO CCC[NH2+][C@@H](C)CCc1ccc(OC)c(F)c1 ZINC000037948145 169274964 /nfs/dbraw/zinc/27/49/64/169274964.db2.gz QYYTXEMQDVATJF-NSHDSACASA-N 1 0 239.334 3.155 10 0 BGAERO CCC[NH2+][C@H](C)CCc1ccc(OC)c(F)c1 ZINC000037948146 169286185 /nfs/dbraw/zinc/28/61/85/169286185.db2.gz QYYTXEMQDVATJF-LLVKDONJSA-N 1 0 239.334 3.155 10 0 BGAERO CCC[C@@H](CCc1cccc(OC)c1)[NH2+]CC ZINC000037948259 169383184 /nfs/dbraw/zinc/38/31/84/169383184.db2.gz TWEGSDPBYMCPPA-AWEZNQCLSA-N 1 0 235.371 3.406 10 0 BGAERO C[NH2+][C@H](CCc1cccc(OC)c1)C(C)(C)C ZINC000037948395 173452033 /nfs/dbraw/zinc/45/20/33/173452033.db2.gz LSLCKJNRESVZFW-CQSZACIVSA-N 1 0 235.371 3.262 10 0 BGAERO CC[NH2+][C@@H](CC)CCc1ccc(OC)c(F)c1 ZINC000037948683 170144193 /nfs/dbraw/zinc/14/41/93/170144193.db2.gz QCHKGLJTCRMFKX-LBPRGKRZSA-N 1 0 239.334 3.155 10 0 BGAERO CC[NH2+][C@H](CC)CCc1ccc(OC)c(F)c1 ZINC000037948684 170160679 /nfs/dbraw/zinc/16/06/79/170160679.db2.gz QCHKGLJTCRMFKX-GFCCVEGCSA-N 1 0 239.334 3.155 10 0 BGAERO CCC[NH2+][C@@H](CC)CCc1cccc(OC)c1 ZINC000037948817 169277855 /nfs/dbraw/zinc/27/78/55/169277855.db2.gz BQNRMWMTUCAPPR-AWEZNQCLSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+][C@H](CC)CCc1cccc(OC)c1 ZINC000037948818 169288051 /nfs/dbraw/zinc/28/80/51/169288051.db2.gz BQNRMWMTUCAPPR-CQSZACIVSA-N 1 0 235.371 3.406 10 0 BGAERO C[NH2+][C@@H](CCc1ccc(OC)c(F)c1)C(C)C ZINC000037948884 173422504 /nfs/dbraw/zinc/42/25/04/173422504.db2.gz OAYZJDXESNNCJW-ZDUSSCGKSA-N 1 0 239.334 3.011 10 0 BGAERO CC[NH2+][C@@H](CCc1cccc(OC)c1)C(C)C ZINC000037949019 170144631 /nfs/dbraw/zinc/14/46/31/170144631.db2.gz YDMXHKNRMLMJTJ-HNNXBMFYSA-N 1 0 235.371 3.262 10 0 BGAERO CC[NH2+][C@H](CCc1cccc(OC)c1)C(C)C ZINC000037949020 170162705 /nfs/dbraw/zinc/16/27/05/170162705.db2.gz YDMXHKNRMLMJTJ-OAHLLOKOSA-N 1 0 235.371 3.262 10 0 BGAERO C[NH2+][C@@H](C)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000037949173 173417354 /nfs/dbraw/zinc/41/73/54/173417354.db2.gz XLCHFXQTQFTSOP-UWVGGRQHSA-N 1 0 245.288 3.492 10 0 BGAERO C[NH2+][C@H](C)[C@@H](C)Cc1ccc(Cl)s1 ZINC000037949231 173447811 /nfs/dbraw/zinc/44/78/11/173447811.db2.gz FTGOUZRJMAGRPO-JGVFFNPUSA-N 1 0 217.765 3.188 10 0 BGAERO C[NH2+][C@@H](C)[C@H](C)Cc1ccc(Cl)s1 ZINC000037949234 173416832 /nfs/dbraw/zinc/41/68/32/173416832.db2.gz FTGOUZRJMAGRPO-SFYZADRCSA-N 1 0 217.765 3.188 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000037949363 170139912 /nfs/dbraw/zinc/13/99/12/170139912.db2.gz YAURGYWZYWNMSP-QWRGUYRKSA-N 1 0 239.334 3.011 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000037949364 170158223 /nfs/dbraw/zinc/15/82/23/170158223.db2.gz YAURGYWZYWNMSP-WDEREUQCSA-N 1 0 239.334 3.011 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000037949365 170140950 /nfs/dbraw/zinc/14/09/50/170140950.db2.gz YAURGYWZYWNMSP-MNOVXSKESA-N 1 0 239.334 3.011 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000037949366 170158402 /nfs/dbraw/zinc/15/84/02/170158402.db2.gz YAURGYWZYWNMSP-GHMZBOCLSA-N 1 0 239.334 3.011 10 0 BGAERO CCC[NH2+][C@@H](C)[C@@H](C)Cc1cccc(OC)c1 ZINC000037949627 169275584 /nfs/dbraw/zinc/27/55/84/169275584.db2.gz OMIGYZUOGRPPKG-STQMWFEESA-N 1 0 235.371 3.262 10 0 BGAERO CCC[NH2+][C@H](C)[C@@H](C)Cc1cccc(OC)c1 ZINC000037949628 169286032 /nfs/dbraw/zinc/28/60/32/169286032.db2.gz OMIGYZUOGRPPKG-QWHCGFSZSA-N 1 0 235.371 3.262 10 0 BGAERO CCC[NH2+][C@@H](C)[C@H](C)Cc1cccc(OC)c1 ZINC000037949629 169275664 /nfs/dbraw/zinc/27/56/64/169275664.db2.gz OMIGYZUOGRPPKG-OLZOCXBDSA-N 1 0 235.371 3.262 10 0 BGAERO CCC[NH2+][C@H](C)[C@H](C)Cc1cccc(OC)c1 ZINC000037949630 169286153 /nfs/dbraw/zinc/28/61/53/169286153.db2.gz OMIGYZUOGRPPKG-CHWSQXEVSA-N 1 0 235.371 3.262 10 0 BGAERO CCOC(=O)C(CC)(CC)[NH2+]C1CCCCC1 ZINC000037972165 170187821 /nfs/dbraw/zinc/18/78/21/170187821.db2.gz CAXJAIBMTUSVCY-UHFFFAOYSA-N 1 0 241.375 3.031 10 0 BGAERO CCC(CC)([NH2+]C1CCCCCC1)C(=O)OC ZINC000037972590 168330878 /nfs/dbraw/zinc/33/08/78/168330878.db2.gz LZGXTNKWAUYYBG-UHFFFAOYSA-N 1 0 241.375 3.031 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000037980156 171840924 /nfs/dbraw/zinc/84/09/24/171840924.db2.gz AAJGLDPZWTUMGS-MAZHCROVSA-N 1 0 247.382 3.203 10 0 BGAERO CC[C@@H]1CC[C@H]([NH3+])[C@H](OCc2ccccc2)C1 ZINC000037981063 171057009 /nfs/dbraw/zinc/05/70/09/171057009.db2.gz HKZUQEHMBFXBBS-VHDGCEQUSA-N 1 0 233.355 3.109 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](OCc2ccccc2)C1 ZINC000037981065 171040059 /nfs/dbraw/zinc/04/00/59/171040059.db2.gz HKZUQEHMBFXBBS-BPLDGKMQSA-N 1 0 233.355 3.109 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])COCc1ccccc1 ZINC000037981075 179344100 /nfs/dbraw/zinc/34/41/00/179344100.db2.gz FEALWPKNBIENIZ-MRXNPFEDSA-N 1 0 241.334 3.212 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])COCc1ccccc1 ZINC000037981076 179324160 /nfs/dbraw/zinc/32/41/60/179324160.db2.gz FEALWPKNBIENIZ-INIZCTEOSA-N 1 0 241.334 3.212 10 0 BGAERO Cc1ccc([C@@H]([NH3+])COCc2ccccc2)cc1 ZINC000037981112 178859140 /nfs/dbraw/zinc/85/91/40/178859140.db2.gz YCVFIDFIMQVKDU-INIZCTEOSA-N 1 0 241.334 3.212 10 0 BGAERO C[C@H](OCc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000037981115 177021565 /nfs/dbraw/zinc/02/15/65/177021565.db2.gz LUGXQBDNBPUYDC-BBRMVZONSA-N 1 0 241.334 3.292 10 0 BGAERO C[C@@H](OCc1ccccc1)[C@H]([NH3+])c1ccccc1 ZINC000037981116 176003065 /nfs/dbraw/zinc/00/30/65/176003065.db2.gz LUGXQBDNBPUYDC-CJNGLKHVSA-N 1 0 241.334 3.292 10 0 BGAERO C[C@H](OCc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000037981117 177021716 /nfs/dbraw/zinc/02/17/16/177021716.db2.gz LUGXQBDNBPUYDC-XJKSGUPXSA-N 1 0 241.334 3.292 10 0 BGAERO C[C@@H](OCc1ccccc1)[C@@H]([NH3+])c1ccccc1 ZINC000037981118 176003419 /nfs/dbraw/zinc/00/34/19/176003419.db2.gz LUGXQBDNBPUYDC-CZUORRHYSA-N 1 0 241.334 3.292 10 0 BGAERO [NH3+][C@H]1CCCCCC[C@H]1OCc1ccccc1 ZINC000037981140 343363688 /nfs/dbraw/zinc/36/36/88/343363688.db2.gz RRKQGYUYOIQVNA-LSDHHAIUSA-N 1 0 233.355 3.253 10 0 BGAERO [NH3+][C@H]1CCCCCC[C@@H]1OCc1ccccc1 ZINC000037981141 343363877 /nfs/dbraw/zinc/36/38/77/343363877.db2.gz RRKQGYUYOIQVNA-GJZGRUSLSA-N 1 0 233.355 3.253 10 0 BGAERO [NH3+][C@@H]1CCCCCC[C@H]1OCc1ccccc1 ZINC000037981142 343363861 /nfs/dbraw/zinc/36/38/61/343363861.db2.gz RRKQGYUYOIQVNA-HUUCEWRRSA-N 1 0 233.355 3.253 10 0 BGAERO [NH3+][C@@H]1CCCCCC[C@@H]1OCc1ccccc1 ZINC000037981143 343363644 /nfs/dbraw/zinc/36/36/44/343363644.db2.gz RRKQGYUYOIQVNA-CABCVRRESA-N 1 0 233.355 3.253 10 0 BGAERO CCC[C@@H]([NH3+])[C@@H](CC)OCc1ccccc1 ZINC000037981541 169392976 /nfs/dbraw/zinc/39/29/76/169392976.db2.gz ILEIAVOPDWRNMF-ZIAGYGMSSA-N 1 0 221.344 3.109 10 0 BGAERO CCC[C@@H]([NH3+])[C@H](CC)OCc1ccccc1 ZINC000037981543 169392891 /nfs/dbraw/zinc/39/28/91/169392891.db2.gz ILEIAVOPDWRNMF-KGLIPLIRSA-N 1 0 221.344 3.109 10 0 BGAERO Clc1ccc(C[NH2+]CC[C@@H]2CCCO2)s1 ZINC000037988566 398335415 /nfs/dbraw/zinc/33/54/15/398335415.db2.gz MNSJTQBYKBCAQP-VIFPVBQESA-N 1 0 245.775 3.060 10 0 BGAERO Cc1cc(C)c(C[NH2+]CC[C@@H]2CCCO2)c(C)c1 ZINC000037988646 398335528 /nfs/dbraw/zinc/33/55/28/398335528.db2.gz WAOBOXVKQGMTFK-HNNXBMFYSA-N 1 0 247.382 3.271 10 0 BGAERO Cc1cc(C)c(C[NH2+]CC[C@H]2CCCO2)c(C)c1 ZINC000037988647 398335478 /nfs/dbraw/zinc/33/54/78/398335478.db2.gz WAOBOXVKQGMTFK-OAHLLOKOSA-N 1 0 247.382 3.271 10 0 BGAERO CC(C)c1ccc(C[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000037988690 398335449 /nfs/dbraw/zinc/33/54/49/398335449.db2.gz JVPNSNJWTXQMNZ-INIZCTEOSA-N 1 0 247.382 3.469 10 0 BGAERO CC(C)c1ccc(C[NH2+]CC[C@H]2CCCO2)cc1 ZINC000037988691 398335442 /nfs/dbraw/zinc/33/54/42/398335442.db2.gz JVPNSNJWTXQMNZ-MRXNPFEDSA-N 1 0 247.382 3.469 10 0 BGAERO Cc1cc(C)c(C[NH2+]CC[C@@H]2CCCO2)cc1C ZINC000037988790 398335609 /nfs/dbraw/zinc/33/56/09/398335609.db2.gz PBCGDOFHWQYHSN-INIZCTEOSA-N 1 0 247.382 3.271 10 0 BGAERO Cc1cc(C)c(C[NH2+]CC[C@H]2CCCO2)cc1C ZINC000037988791 398335568 /nfs/dbraw/zinc/33/55/68/398335568.db2.gz PBCGDOFHWQYHSN-MRXNPFEDSA-N 1 0 247.382 3.271 10 0 BGAERO c1c2ccccc2oc1C[NH2+]CC[C@@H]1CCCO1 ZINC000037988824 398335602 /nfs/dbraw/zinc/33/56/02/398335602.db2.gz GRLKJNVHMSSCEE-ZDUSSCGKSA-N 1 0 245.322 3.092 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)CC(C)(C)C1 ZINC000037988838 398335592 /nfs/dbraw/zinc/33/55/92/398335592.db2.gz FEXJUVOYJLTJBI-RDBSUJKOSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)CC(C)(C)C1 ZINC000037988840 398335552 /nfs/dbraw/zinc/33/55/52/398335552.db2.gz FEXJUVOYJLTJBI-MCIONIFRSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000037988862 398335564 /nfs/dbraw/zinc/33/55/64/398335564.db2.gz AALFKVQFWUYEGJ-DYEKYZERSA-N 1 0 249.354 3.062 10 0 BGAERO C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC[C@@H]2CCCO2)o1 ZINC000037988864 398335605 /nfs/dbraw/zinc/33/56/05/398335605.db2.gz AALFKVQFWUYEGJ-MBNYWOFBSA-N 1 0 249.354 3.062 10 0 BGAERO CCC1CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000037988912 398335608 /nfs/dbraw/zinc/33/56/08/398335608.db2.gz MMYAJRHZMVUUTR-RUXDESIVSA-N 1 0 225.376 3.114 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+]C1CCCCCCC1 ZINC000037988918 711481532 /nfs/dbraw/zinc/48/15/32/711481532.db2.gz NYSQHYOZDKGQFA-AWEZNQCLSA-N 1 0 225.376 3.258 10 0 BGAERO C(C[C@H]1CCCO1)[NH2+]C1CCCCCCC1 ZINC000037988919 712796327 /nfs/dbraw/zinc/79/63/27/712796327.db2.gz NYSQHYOZDKGQFA-CQSZACIVSA-N 1 0 225.376 3.258 10 0 BGAERO Cc1ccccc1C[C@H]([NH3+])c1cccc(F)c1 ZINC000037992438 179291679 /nfs/dbraw/zinc/29/16/79/179291679.db2.gz BXELDIKFYSHITL-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1ccccc1C[C@@H]([NH3+])c1cccc(F)c1 ZINC000037992439 179290042 /nfs/dbraw/zinc/29/00/42/179290042.db2.gz BXELDIKFYSHITL-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1F)c1cccc(F)c1 ZINC000037992450 173426096 /nfs/dbraw/zinc/42/60/96/173426096.db2.gz JFZIGXVHVHMHBZ-HNNXBMFYSA-N 1 0 247.288 3.468 10 0 BGAERO [NH3+][C@H](Cc1ccccc1F)c1ccsc1 ZINC000037992529 181627366 /nfs/dbraw/zinc/62/73/66/181627366.db2.gz PKGDKQNIGQFYAD-GFCCVEGCSA-N 1 0 221.300 3.130 10 0 BGAERO [NH3+][C@@H](Cc1cccc(F)c1)c1ccsc1 ZINC000037992532 181555752 /nfs/dbraw/zinc/55/57/52/181555752.db2.gz LVWDJSFLRYAVAZ-LBPRGKRZSA-N 1 0 221.300 3.130 10 0 BGAERO [NH3+][C@H](Cc1cccc(F)c1)c1ccsc1 ZINC000037992533 181626487 /nfs/dbraw/zinc/62/64/87/181626487.db2.gz LVWDJSFLRYAVAZ-GFCCVEGCSA-N 1 0 221.300 3.130 10 0 BGAERO Cc1cccc([C@H]([NH3+])Cc2cccc(F)c2)c1 ZINC000037992564 343143541 /nfs/dbraw/zinc/14/35/41/343143541.db2.gz YLEHXMDFGCFNBC-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cccc([C@@H]([NH3+])Cc2cccc(F)c2)c1 ZINC000037992565 343143564 /nfs/dbraw/zinc/14/35/64/343143564.db2.gz YLEHXMDFGCFNBC-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO CC(C)(C)[C@H]([NH3+])Cc1ccccc1Cl ZINC000037992596 350295740 /nfs/dbraw/zinc/29/57/40/350295740.db2.gz ADFGNGYNELPSME-LLVKDONJSA-N 1 0 211.736 3.256 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])Cc1ccccc1Cl ZINC000037992597 350295779 /nfs/dbraw/zinc/29/57/79/350295779.db2.gz ADFGNGYNELPSME-NSHDSACASA-N 1 0 211.736 3.256 10 0 BGAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1cccnc1 ZINC000037992653 170146747 /nfs/dbraw/zinc/14/67/47/170146747.db2.gz OAQAHEJPMJEVNA-INIZCTEOSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1cccnc1 ZINC000037992654 170162731 /nfs/dbraw/zinc/16/27/31/170162731.db2.gz OAQAHEJPMJEVNA-MRXNPFEDSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@@H](Cc1cccc(F)c1)c1cccnc1 ZINC000037992659 170146152 /nfs/dbraw/zinc/14/61/52/170146152.db2.gz KEIHJKYMQWSQRQ-HNNXBMFYSA-N 1 0 244.313 3.114 10 0 BGAERO CC[NH2+][C@H](Cc1cccc(F)c1)c1cccnc1 ZINC000037992660 170162546 /nfs/dbraw/zinc/16/25/46/170162546.db2.gz KEIHJKYMQWSQRQ-OAHLLOKOSA-N 1 0 244.313 3.114 10 0 BGAERO CC[NH2+][C@@H](Cc1ccc(C)cc1)c1ccncc1 ZINC000037992689 170145974 /nfs/dbraw/zinc/14/59/74/170145974.db2.gz YKVOBZNKASXEFL-INIZCTEOSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@H](Cc1ccc(C)cc1)c1ccncc1 ZINC000037992690 170162168 /nfs/dbraw/zinc/16/21/68/170162168.db2.gz YKVOBZNKASXEFL-MRXNPFEDSA-N 1 0 240.350 3.283 10 0 BGAERO CC[NH2+][C@@H](Cc1cccc(F)c1)C(C)(C)C ZINC000037993027 170146868 /nfs/dbraw/zinc/14/68/68/170146868.db2.gz ABNRXRFLVRCEKB-ZDUSSCGKSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@H](Cc1cccc(F)c1)C(C)(C)C ZINC000037993028 170162681 /nfs/dbraw/zinc/16/26/81/170162681.db2.gz ABNRXRFLVRCEKB-CYBMUJFWSA-N 1 0 223.335 3.392 10 0 BGAERO CC(C)CCC[NH2+]Cc1cn(C)nc1C(C)C ZINC000037996839 166815926 /nfs/dbraw/zinc/81/59/26/166815926.db2.gz PLTSPNCRLXOWLP-UHFFFAOYSA-N 1 0 237.391 3.069 10 0 BGAERO Cc1nccc(C[NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000037997802 180190997 /nfs/dbraw/zinc/19/09/97/180190997.db2.gz HIROEOJQAFGWFQ-SMDDNHRTSA-N 1 0 247.386 3.089 10 0 BGAERO Cc1nccc(C[NH2+][C@H]2C[C@H](C)CC(C)(C)C2)n1 ZINC000037997803 180192880 /nfs/dbraw/zinc/19/28/80/180192880.db2.gz HIROEOJQAFGWFQ-FZMZJTMJSA-N 1 0 247.386 3.089 10 0 BGAERO Cc1nccc(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000037997804 180190611 /nfs/dbraw/zinc/19/06/11/180190611.db2.gz HIROEOJQAFGWFQ-BXUZGUMPSA-N 1 0 247.386 3.089 10 0 BGAERO Cc1nccc(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)n1 ZINC000037997805 180192501 /nfs/dbraw/zinc/19/25/01/180192501.db2.gz HIROEOJQAFGWFQ-RISCZKNCSA-N 1 0 247.386 3.089 10 0 BGAERO C[NH2+][C@@H](C)CCc1cccc2ccccc21 ZINC000038000983 173414579 /nfs/dbraw/zinc/41/45/79/173414579.db2.gz VMHYRSSDMLKOGK-LBPRGKRZSA-N 1 0 213.324 3.380 10 0 BGAERO C[NH2+][C@H](C)CCc1cccc2ccccc21 ZINC000038000984 173446082 /nfs/dbraw/zinc/44/60/82/173446082.db2.gz VMHYRSSDMLKOGK-GFCCVEGCSA-N 1 0 213.324 3.380 10 0 BGAERO C[NH2+][C@@H](C)CCc1ccc(F)cc1Cl ZINC000038000995 173414480 /nfs/dbraw/zinc/41/44/80/173414480.db2.gz VPWGVNXUWOMTKY-QMMMGPOBSA-N 1 0 215.699 3.020 10 0 BGAERO CC[NH2+][C@@H](C)CCc1ccc(Cl)cc1 ZINC000038001053 170139132 /nfs/dbraw/zinc/13/91/32/170139132.db2.gz PBQRUAXJIPNSFH-JTQLQIEISA-N 1 0 211.736 3.271 10 0 BGAERO CC[NH2+][C@H](C)CCc1ccc(Cl)cc1 ZINC000038001054 170157247 /nfs/dbraw/zinc/15/72/47/170157247.db2.gz PBQRUAXJIPNSFH-SNVBAGLBSA-N 1 0 211.736 3.271 10 0 BGAERO CC[NH2+][C@@H](C)CCc1cccc(Cl)c1 ZINC000038001055 170139532 /nfs/dbraw/zinc/13/95/32/170139532.db2.gz SWTOPXPSPFTCND-JTQLQIEISA-N 1 0 211.736 3.271 10 0 BGAERO CC[NH2+][C@H](C)CCc1cccc(Cl)c1 ZINC000038001056 170156838 /nfs/dbraw/zinc/15/68/38/170156838.db2.gz SWTOPXPSPFTCND-SNVBAGLBSA-N 1 0 211.736 3.271 10 0 BGAERO CC[NH2+][C@@H](C)CCc1ccccc1Cl ZINC000038001059 170138821 /nfs/dbraw/zinc/13/88/21/170138821.db2.gz NKSCCNSJPRNXPH-JTQLQIEISA-N 1 0 211.736 3.271 10 0 BGAERO CC[NH2+][C@H](C)CCc1ccccc1Cl ZINC000038001060 170156855 /nfs/dbraw/zinc/15/68/55/170156855.db2.gz NKSCCNSJPRNXPH-SNVBAGLBSA-N 1 0 211.736 3.271 10 0 BGAERO CC[NH2+][C@@H](C)CCc1ccc(F)cc1Cl ZINC000038001063 170139425 /nfs/dbraw/zinc/13/94/25/170139425.db2.gz PSWARQUFKLSCPY-VIFPVBQESA-N 1 0 229.726 3.410 10 0 BGAERO CC[NH2+][C@H](C)CCc1ccc(F)cc1Cl ZINC000038001064 170157182 /nfs/dbraw/zinc/15/71/82/170157182.db2.gz PSWARQUFKLSCPY-SECBINFHSA-N 1 0 229.726 3.410 10 0 BGAERO CC[NH2+][C@H](C)CCc1ccc(CC)s1 ZINC000038001073 170157168 /nfs/dbraw/zinc/15/71/68/170157168.db2.gz JAYOKTWYBIOBBG-SNVBAGLBSA-N 1 0 211.374 3.241 10 0 BGAERO CC[NH2+][C@@H](C)CCc1ccc(CC)s1 ZINC000038001074 170139004 /nfs/dbraw/zinc/13/90/04/170139004.db2.gz JAYOKTWYBIOBBG-JTQLQIEISA-N 1 0 211.374 3.241 10 0 BGAERO CCC[NH2+][C@@H](C)CCc1cccc(OC)c1 ZINC000038001105 169275431 /nfs/dbraw/zinc/27/54/31/169275431.db2.gz OOABXWOZNRKPGH-LBPRGKRZSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+][C@H](C)CCc1cccc(OC)c1 ZINC000038001106 169286445 /nfs/dbraw/zinc/28/64/45/169286445.db2.gz OOABXWOZNRKPGH-GFCCVEGCSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+][C@@H](C)CCc1ccccc1C ZINC000038001137 169274807 /nfs/dbraw/zinc/27/48/07/169274807.db2.gz RESMUOIULMOZQI-ZDUSSCGKSA-N 1 0 205.345 3.316 10 0 BGAERO CCC[NH2+][C@H](C)CCc1ccccc1C ZINC000038001138 169285871 /nfs/dbraw/zinc/28/58/71/169285871.db2.gz RESMUOIULMOZQI-CYBMUJFWSA-N 1 0 205.345 3.316 10 0 BGAERO CCC[NH2+][C@@H](C)CCc1cccc(F)c1F ZINC000038001157 169274348 /nfs/dbraw/zinc/27/43/48/169274348.db2.gz GURBWQKORUJEAO-JTQLQIEISA-N 1 0 227.298 3.286 10 0 BGAERO CCC[NH2+][C@H](C)CCc1cccc(F)c1F ZINC000038001158 169286361 /nfs/dbraw/zinc/28/63/61/169286361.db2.gz GURBWQKORUJEAO-SNVBAGLBSA-N 1 0 227.298 3.286 10 0 BGAERO CCC[C@@H](CCc1ccc(OC)c(F)c1)[NH2+]C ZINC000038001165 169382587 /nfs/dbraw/zinc/38/25/87/169382587.db2.gz OVKYYTVCDYQREF-LBPRGKRZSA-N 1 0 239.334 3.155 10 0 BGAERO [NH3+]CCCCOc1ccc(Cl)c(Cl)c1 ZINC000038001378 181378611 /nfs/dbraw/zinc/37/86/11/181378611.db2.gz CCCVNISIUDHMHR-UHFFFAOYSA-N 1 0 234.126 3.111 10 0 BGAERO NC(=[NH2+])CCCOc1ccc(Cl)c(Cl)c1 ZINC000038001485 181186576 /nfs/dbraw/zinc/18/65/76/181186576.db2.gz MOSFIQQVCFYZRE-UHFFFAOYSA-N 1 0 247.125 3.088 10 0 BGAERO CCC[NH2+]CCOc1ccc(Cl)c(Cl)c1 ZINC000038001548 169260559 /nfs/dbraw/zinc/26/05/59/169260559.db2.gz DIFVQBRHNCGTME-UHFFFAOYSA-N 1 0 248.153 3.372 10 0 BGAERO CC[C@H](Cc1cc(Cl)ccc1OC)[C@@H](C)[NH3+] ZINC000038004281 171468771 /nfs/dbraw/zinc/46/87/71/171468771.db2.gz RVOMTEDKGSIEJW-NXEZZACHSA-N 1 0 241.762 3.265 10 0 BGAERO CC[C@@H](Cc1cc(Cl)ccc1OC)[C@H](C)[NH3+] ZINC000038004282 170855184 /nfs/dbraw/zinc/85/51/84/170855184.db2.gz RVOMTEDKGSIEJW-UWVGGRQHSA-N 1 0 241.762 3.265 10 0 BGAERO CC[C@H](Cc1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000038004417 171470091 /nfs/dbraw/zinc/47/00/91/171470091.db2.gz PYTHBJKPWGTRNL-GXSJLCMTSA-N 1 0 211.736 3.256 10 0 BGAERO CC[C@@H](Cc1ccc(F)cc1Cl)[C@@H](C)[NH3+] ZINC000038004430 170855561 /nfs/dbraw/zinc/85/55/61/170855561.db2.gz TWHSUKCMZKBHPV-BDAKNGLRSA-N 1 0 229.726 3.395 10 0 BGAERO CC[C@@H](Cc1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000038004448 170855207 /nfs/dbraw/zinc/85/52/07/170855207.db2.gz ODMDHGYWEHVNNH-YUMQZZPRSA-N 1 0 217.765 3.317 10 0 BGAERO CCc1ccc(C[C@@H](CC)[C@@H](C)[NH3+])s1 ZINC000038004454 171814401 /nfs/dbraw/zinc/81/44/01/171814401.db2.gz BMMHCNYDTGPKCG-NXEZZACHSA-N 1 0 211.374 3.226 10 0 BGAERO CC[C@@H](Cc1cccc(F)c1F)[C@H](C)[NH2+]C ZINC000038004516 170855636 /nfs/dbraw/zinc/85/56/36/170855636.db2.gz HEIFJFMVSUBVHY-UWVGGRQHSA-N 1 0 227.298 3.141 10 0 BGAERO CC[C@H](Cc1ccc(C)cc1)[C@H](C)[NH2+]C ZINC000038004553 171470104 /nfs/dbraw/zinc/47/01/04/171470104.db2.gz XIZCTDCQLQDNIY-GXTWGEPZSA-N 1 0 205.345 3.172 10 0 BGAERO CC[C@@H](Cc1ccc(F)cc1)[C@@H](C)[NH2+]C ZINC000038004554 170855677 /nfs/dbraw/zinc/85/56/77/170855677.db2.gz ZFYXMSZZZNHVMJ-PWSUYJOCSA-N 1 0 209.308 3.002 10 0 BGAERO CC[C@@H](Cc1ccc(OC)c(F)c1)[C@H](C)[NH2+]C ZINC000038004606 170855336 /nfs/dbraw/zinc/85/53/36/170855336.db2.gz XOPZKEQGKVMVDO-JQWIXIFHSA-N 1 0 239.334 3.011 10 0 BGAERO CC[C@H](Cc1ccc(OC)c(F)c1)[C@H](C)[NH2+]C ZINC000038004607 171470257 /nfs/dbraw/zinc/47/02/57/171470257.db2.gz XOPZKEQGKVMVDO-CMPLNLGQSA-N 1 0 239.334 3.011 10 0 BGAERO CCc1ccc(C[C@@H](CC)[C@@H](C)[NH2+]C)s1 ZINC000038004680 171814048 /nfs/dbraw/zinc/81/40/48/171814048.db2.gz HDIBFUBVRKEUJL-GHMZBOCLSA-N 1 0 225.401 3.487 10 0 BGAERO CCc1ccc(C[C@H](CC)[C@@H](C)[NH2+]C)s1 ZINC000038004681 171814989 /nfs/dbraw/zinc/81/49/89/171814989.db2.gz HDIBFUBVRKEUJL-MNOVXSKESA-N 1 0 225.401 3.487 10 0 BGAERO CCc1ccc(C[C@@H](CC)[C@H](C)[NH2+]C)s1 ZINC000038004682 171814311 /nfs/dbraw/zinc/81/43/11/171814311.db2.gz HDIBFUBVRKEUJL-WDEREUQCSA-N 1 0 225.401 3.487 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccsc1 ZINC000038004728 170158518 /nfs/dbraw/zinc/15/85/18/170158518.db2.gz MJVQCBZHQHUSDC-PWSUYJOCSA-N 1 0 211.374 3.315 10 0 BGAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccsc1 ZINC000038004729 170158661 /nfs/dbraw/zinc/15/86/61/170158661.db2.gz MJVQCBZHQHUSDC-ZYHUDNBSSA-N 1 0 211.374 3.315 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccsc1 ZINC000038004730 170141433 /nfs/dbraw/zinc/14/14/33/170141433.db2.gz MJVQCBZHQHUSDC-JQWIXIFHSA-N 1 0 211.374 3.315 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccsc1 ZINC000038004731 170140986 /nfs/dbraw/zinc/14/09/86/170140986.db2.gz MJVQCBZHQHUSDC-CMPLNLGQSA-N 1 0 211.374 3.315 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccccc1 ZINC000038004760 170158712 /nfs/dbraw/zinc/15/87/12/170158712.db2.gz WDYDPTMWCPFFBD-OCCSQVGLSA-N 1 0 205.345 3.253 10 0 BGAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1 ZINC000038004761 170158205 /nfs/dbraw/zinc/15/82/05/170158205.db2.gz WDYDPTMWCPFFBD-TZMCWYRMSA-N 1 0 205.345 3.253 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccccc1 ZINC000038004762 170140990 /nfs/dbraw/zinc/14/09/90/170140990.db2.gz WDYDPTMWCPFFBD-JSGCOSHPSA-N 1 0 205.345 3.253 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccccc1 ZINC000038004763 170140907 /nfs/dbraw/zinc/14/09/07/170140907.db2.gz WDYDPTMWCPFFBD-GXTWGEPZSA-N 1 0 205.345 3.253 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(F)c1 ZINC000038004764 170158674 /nfs/dbraw/zinc/15/86/74/170158674.db2.gz NNANCLUTCMTNSW-YPMHNXCESA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cccc(F)c1 ZINC000038004765 170158544 /nfs/dbraw/zinc/15/85/44/170158544.db2.gz NNANCLUTCMTNSW-DGCLKSJQSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(F)c1 ZINC000038004766 170140904 /nfs/dbraw/zinc/14/09/04/170140904.db2.gz NNANCLUTCMTNSW-AAEUAGOBSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cccc(F)c1 ZINC000038004767 170140869 /nfs/dbraw/zinc/14/08/69/170140869.db2.gz NNANCLUTCMTNSW-WCQYABFASA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccc(F)cc1 ZINC000038004772 170158256 /nfs/dbraw/zinc/15/82/56/170158256.db2.gz PETKYMNEDLVKLA-YPMHNXCESA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccc(F)cc1 ZINC000038004773 170158371 /nfs/dbraw/zinc/15/83/71/170158371.db2.gz PETKYMNEDLVKLA-DGCLKSJQSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccc(F)cc1 ZINC000038004774 170141082 /nfs/dbraw/zinc/14/10/82/170141082.db2.gz PETKYMNEDLVKLA-AAEUAGOBSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccc(F)cc1 ZINC000038004775 170141185 /nfs/dbraw/zinc/14/11/85/170141185.db2.gz PETKYMNEDLVKLA-WCQYABFASA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1ccccc1F ZINC000038004846 170158513 /nfs/dbraw/zinc/15/85/13/170158513.db2.gz PYZWDQPQJHPXQR-NEPJUHHUSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@H](C)[C@H](CC)Cc1ccccc1F ZINC000038004847 170158301 /nfs/dbraw/zinc/15/83/01/170158301.db2.gz PYZWDQPQJHPXQR-VXGBXAGGSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1ccccc1F ZINC000038004848 170141141 /nfs/dbraw/zinc/14/11/41/170141141.db2.gz PYZWDQPQJHPXQR-RYUDHWBXSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1ccccc1F ZINC000038004849 170141407 /nfs/dbraw/zinc/14/14/07/170141407.db2.gz PYZWDQPQJHPXQR-NWDGAFQWSA-N 1 0 223.335 3.392 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cccc(OC)c1 ZINC000038004870 170158673 /nfs/dbraw/zinc/15/86/73/170158673.db2.gz XAIQPMWVLKHKBQ-OCCSQVGLSA-N 1 0 235.371 3.262 10 0 BGAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cccc(OC)c1 ZINC000038004871 170158299 /nfs/dbraw/zinc/15/82/99/170158299.db2.gz XAIQPMWVLKHKBQ-TZMCWYRMSA-N 1 0 235.371 3.262 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cccc(OC)c1 ZINC000038004872 170141218 /nfs/dbraw/zinc/14/12/18/170141218.db2.gz XAIQPMWVLKHKBQ-JSGCOSHPSA-N 1 0 235.371 3.262 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cccc(OC)c1 ZINC000038004873 170141434 /nfs/dbraw/zinc/14/14/34/170141434.db2.gz XAIQPMWVLKHKBQ-GXTWGEPZSA-N 1 0 235.371 3.262 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](CC)Cc1cccs1 ZINC000038004874 170158679 /nfs/dbraw/zinc/15/86/79/170158679.db2.gz MTSUEROEQGBLMS-MNOVXSKESA-N 1 0 211.374 3.315 10 0 BGAERO CC[NH2+][C@H](C)[C@H](CC)Cc1cccs1 ZINC000038004875 170158314 /nfs/dbraw/zinc/15/83/14/170158314.db2.gz MTSUEROEQGBLMS-GHMZBOCLSA-N 1 0 211.374 3.315 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](CC)Cc1cccs1 ZINC000038004876 170140832 /nfs/dbraw/zinc/14/08/32/170140832.db2.gz MTSUEROEQGBLMS-QWRGUYRKSA-N 1 0 211.374 3.315 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](CC)Cc1cccs1 ZINC000038004877 170140697 /nfs/dbraw/zinc/14/06/97/170140697.db2.gz MTSUEROEQGBLMS-WDEREUQCSA-N 1 0 211.374 3.315 10 0 BGAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005545 361513095 /nfs/dbraw/zinc/51/30/95/361513095.db2.gz ZEKQVRKPIIQRAM-GFCCVEGCSA-N 1 0 243.354 3.384 10 0 BGAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005546 361512768 /nfs/dbraw/zinc/51/27/68/361512768.db2.gz ZEKQVRKPIIQRAM-LBPRGKRZSA-N 1 0 243.354 3.384 10 0 BGAERO CCc1ccc([C@@H](CC)[NH2+]Cc2cn[nH]c2)cc1 ZINC000038006129 188290284 /nfs/dbraw/zinc/29/02/84/188290284.db2.gz YXFDNPGISAKMNK-OAHLLOKOSA-N 1 0 243.354 3.213 10 0 BGAERO CCCC[C@H]([NH2+]Cc1cn[nH]c1)c1ccccc1 ZINC000038006318 169011536 /nfs/dbraw/zinc/01/15/36/169011536.db2.gz MJPHVHPSOCAKEA-HNNXBMFYSA-N 1 0 243.354 3.431 10 0 BGAERO CCC[C@@H](C)C[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000038009522 169360088 /nfs/dbraw/zinc/36/00/88/169360088.db2.gz JCSKRMPAGWGTCC-OCCSQVGLSA-N 1 0 233.355 3.016 10 0 BGAERO CCC[C@@H](C)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009524 169360376 /nfs/dbraw/zinc/36/03/76/169360376.db2.gz JCSKRMPAGWGTCC-TZMCWYRMSA-N 1 0 233.355 3.016 10 0 BGAERO CCC[C@H](C)C[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000038009525 169482643 /nfs/dbraw/zinc/48/26/43/169482643.db2.gz JCSKRMPAGWGTCC-GXTWGEPZSA-N 1 0 233.355 3.016 10 0 BGAERO CC[C@H](C)[C@@H](C)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032443 171361419 /nfs/dbraw/zinc/36/14/19/171361419.db2.gz BPZPHQNOHBZENR-NWDGAFQWSA-N 1 0 232.371 3.062 10 0 BGAERO CC[C@H](C)[C@H](C)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032445 171385842 /nfs/dbraw/zinc/38/58/42/171385842.db2.gz BPZPHQNOHBZENR-RYUDHWBXSA-N 1 0 232.371 3.062 10 0 BGAERO CC[C@@H](C(C)C)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032447 170673760 /nfs/dbraw/zinc/67/37/60/170673760.db2.gz POKFZZIJRGVZFF-HNNXBMFYSA-N 1 0 232.371 3.062 10 0 BGAERO CC[C@H](C(C)C)[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032448 171243623 /nfs/dbraw/zinc/24/36/23/171243623.db2.gz POKFZZIJRGVZFF-OAHLLOKOSA-N 1 0 232.371 3.062 10 0 BGAERO CC1CCC([N@@H+]2CCc3c(N)cccc3C2)CC1 ZINC000038032586 168160635 /nfs/dbraw/zinc/16/06/35/168160635.db2.gz VKYZXQLEBCPQKH-UHFFFAOYSA-N 1 0 244.382 3.206 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032598 176078511 /nfs/dbraw/zinc/07/85/11/176078511.db2.gz UTYYVOVFCBDBRK-WBMJQRKESA-N 1 0 244.382 3.206 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032599 177081930 /nfs/dbraw/zinc/08/19/30/177081930.db2.gz UTYYVOVFCBDBRK-LRDDRELGSA-N 1 0 244.382 3.206 10 0 BGAERO C[C@@H]1CCCC[C@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032600 176087024 /nfs/dbraw/zinc/08/70/24/176087024.db2.gz UTYYVOVFCBDBRK-MLGOLLRUSA-N 1 0 244.382 3.206 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032601 177086893 /nfs/dbraw/zinc/08/68/93/177086893.db2.gz UTYYVOVFCBDBRK-BLLLJJGKSA-N 1 0 244.382 3.206 10 0 BGAERO C[C@@H]1CCC[C@H]([N@@H+]2CCc3c(N)cccc3C2)C1 ZINC000038032606 176141535 /nfs/dbraw/zinc/14/15/35/176141535.db2.gz GTHNTYAWRGGROA-OCCSQVGLSA-N 1 0 244.382 3.206 10 0 BGAERO C[C@H]1CCC[C@H]([N@@H+]2CCc3c(N)cccc3C2)C1 ZINC000038032607 177135404 /nfs/dbraw/zinc/13/54/04/177135404.db2.gz GTHNTYAWRGGROA-JSGCOSHPSA-N 1 0 244.382 3.206 10 0 BGAERO C[C@@H]1CCC[C@@H]([N@@H+]2CCc3c(N)cccc3C2)C1 ZINC000038032608 176120727 /nfs/dbraw/zinc/12/07/27/176120727.db2.gz GTHNTYAWRGGROA-TZMCWYRMSA-N 1 0 244.382 3.206 10 0 BGAERO C[C@H]1CCC[C@@H]([N@@H+]2CCc3c(N)cccc3C2)C1 ZINC000038032609 177121673 /nfs/dbraw/zinc/12/16/73/177121673.db2.gz GTHNTYAWRGGROA-GXTWGEPZSA-N 1 0 244.382 3.206 10 0 BGAERO CCC(CC)C[N@@H+]1CCc2c(N)cccc2C1 ZINC000038032628 168351666 /nfs/dbraw/zinc/35/16/66/168351666.db2.gz GCZGGJKNDIDWKD-UHFFFAOYSA-N 1 0 232.371 3.063 10 0 BGAERO [NH3+][C@@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000038036742 343074821 /nfs/dbraw/zinc/07/48/21/343074821.db2.gz VUYWMOWHCWXKHG-CYBMUJFWSA-N 1 0 229.327 3.143 10 0 BGAERO [NH3+][C@H](c1nc2ccccc2[nH]1)C1CCCCC1 ZINC000038036743 343074882 /nfs/dbraw/zinc/07/48/82/343074882.db2.gz VUYWMOWHCWXKHG-ZDUSSCGKSA-N 1 0 229.327 3.143 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(C)n2)s1 ZINC000038037275 180191149 /nfs/dbraw/zinc/19/11/49/180191149.db2.gz NHUREOALGRZEBF-SNVBAGLBSA-N 1 0 247.367 3.006 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccnc(C)n2)s1 ZINC000038037276 180190888 /nfs/dbraw/zinc/19/08/88/180190888.db2.gz NHUREOALGRZEBF-JTQLQIEISA-N 1 0 247.367 3.006 10 0 BGAERO Cc1nccc(C[NH2+]C(CC(C)C)CC(C)C)n1 ZINC000038037515 180187239 /nfs/dbraw/zinc/18/72/39/180187239.db2.gz MZSRJJIKUUEWTA-UHFFFAOYSA-N 1 0 249.402 3.335 10 0 BGAERO C=COCCC[NH2+]Cc1cccc(OCCC)c1 ZINC000038038267 188116884 /nfs/dbraw/zinc/11/68/84/188116884.db2.gz HLCLSKGJOLTZGJ-UHFFFAOYSA-N 1 0 249.354 3.115 10 0 BGAERO CC(C)(C)c1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040507 343366907 /nfs/dbraw/zinc/36/69/07/343366907.db2.gz SKCRLOKSLUWGNL-UHFFFAOYSA-N 1 0 232.371 3.148 10 0 BGAERO Clc1ccc(NC2CC[NH2+]CC2)c(Cl)c1 ZINC000038040510 180582618 /nfs/dbraw/zinc/58/26/18/180582618.db2.gz OFTYMQUZCLPZBS-UHFFFAOYSA-N 1 0 245.153 3.157 10 0 BGAERO CCCCc1ccc(NC2CC[NH2+]CC2)cc1 ZINC000038040717 169022403 /nfs/dbraw/zinc/02/24/03/169022403.db2.gz ZIUHPEGVRISIRY-UHFFFAOYSA-N 1 0 232.371 3.193 10 0 BGAERO Clc1cccc(NC2CC[NH2+]CC2)c1Cl ZINC000038040792 180591104 /nfs/dbraw/zinc/59/11/04/180591104.db2.gz CKWHASKRMWPKHB-UHFFFAOYSA-N 1 0 245.153 3.157 10 0 BGAERO c1cc2cc(NC3CC[NH2+]CC3)ccc2s1 ZINC000038041029 183374492 /nfs/dbraw/zinc/37/44/92/183374492.db2.gz NRNXHMYSCDCAFS-UHFFFAOYSA-N 1 0 232.352 3.065 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCOC2)c1 ZINC000038043654 178500946 /nfs/dbraw/zinc/50/09/46/178500946.db2.gz VTCBRZPVCFTYRC-LSDHHAIUSA-N 1 0 247.382 3.381 10 0 BGAERO c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044290 387570942 /nfs/dbraw/zinc/57/09/42/387570942.db2.gz QMIKEYXSIXTAEA-BBRMVZONSA-N 1 0 245.366 3.080 10 0 BGAERO c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCCOC1 ZINC000038044291 387571027 /nfs/dbraw/zinc/57/10/27/387571027.db2.gz QMIKEYXSIXTAEA-XJKSGUPXSA-N 1 0 245.366 3.080 10 0 BGAERO c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCCOC1 ZINC000038044292 387570638 /nfs/dbraw/zinc/57/06/38/387570638.db2.gz QMIKEYXSIXTAEA-CJNGLKHVSA-N 1 0 245.366 3.080 10 0 BGAERO c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CCCOC1 ZINC000038044293 387571083 /nfs/dbraw/zinc/57/10/83/387571083.db2.gz QMIKEYXSIXTAEA-CZUORRHYSA-N 1 0 245.366 3.080 10 0 BGAERO CCn1c(C[NH2+][C@@H](C)C(C)C)nc2ccccc21 ZINC000038046725 172145275 /nfs/dbraw/zinc/14/52/75/172145275.db2.gz RTEPPOXTDUYGJV-LBPRGKRZSA-N 1 0 245.370 3.190 10 0 BGAERO CCn1c(C[NH2+][C@H](C)C(C)C)nc2ccccc21 ZINC000038046726 172145386 /nfs/dbraw/zinc/14/53/86/172145386.db2.gz RTEPPOXTDUYGJV-GFCCVEGCSA-N 1 0 245.370 3.190 10 0 BGAERO CCCC[C@H]([NH3+])c1nc2c(cccc2C)o1 ZINC000038052678 169009152 /nfs/dbraw/zinc/00/91/52/169009152.db2.gz QSPKRXUCEDEPGE-JTQLQIEISA-N 1 0 218.300 3.326 10 0 BGAERO Cc1cccc2oc(C3CCC([NH3+])CC3)nc21 ZINC000038052689 179233511 /nfs/dbraw/zinc/23/35/11/179233511.db2.gz KBEIYAGRNLFBPF-UHFFFAOYSA-N 1 0 230.311 3.121 10 0 BGAERO Cc1cccc2oc(CCC[NH2+]C(C)C)nc21 ZINC000038052705 179233069 /nfs/dbraw/zinc/23/30/69/179233069.db2.gz VHXSFVFLPXAPJU-UHFFFAOYSA-N 1 0 232.327 3.067 10 0 BGAERO Cc1cccc2oc(C[NH2+]C3CCCC3)nc21 ZINC000038052706 179232463 /nfs/dbraw/zinc/23/24/63/179232463.db2.gz UCQJKFIUOHHFBS-UHFFFAOYSA-N 1 0 230.311 3.168 10 0 BGAERO Cc1cccc2oc(CC[NH2+]C(C)(C)C)nc21 ZINC000038052707 179232728 /nfs/dbraw/zinc/23/27/28/179232728.db2.gz WBDWZCYHQMNPNE-UHFFFAOYSA-N 1 0 232.327 3.067 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2c(cccc2C)o1 ZINC000038052717 171344601 /nfs/dbraw/zinc/34/46/01/171344601.db2.gz UKZGVXMXMJEXPX-JTQLQIEISA-N 1 0 218.300 3.024 10 0 BGAERO Cc1cccc2oc(-c3cccc(C[NH3+])c3)nc21 ZINC000038052721 179232458 /nfs/dbraw/zinc/23/24/58/179232458.db2.gz VEMRPJYFBLBTCC-UHFFFAOYSA-N 1 0 238.290 3.262 10 0 BGAERO Cc1cccc2oc(CCCCCC[NH3+])nc21 ZINC000038052731 179232857 /nfs/dbraw/zinc/23/28/57/179232857.db2.gz UGALPYGCYYFFET-UHFFFAOYSA-N 1 0 232.327 3.198 10 0 BGAERO Cc1cccc2oc(-c3ccc(C[NH3+])cc3)nc21 ZINC000038052732 179233156 /nfs/dbraw/zinc/23/31/56/179233156.db2.gz IYYZMRFPYSRHMN-UHFFFAOYSA-N 1 0 238.290 3.262 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1nc2c(cccc2C)o1 ZINC000038052758 171398185 /nfs/dbraw/zinc/39/81/85/171398185.db2.gz PKHCYPNXKAIPFX-KWQFWETISA-N 1 0 218.300 3.182 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1nc2c(cccc2C)o1 ZINC000038052760 171372209 /nfs/dbraw/zinc/37/22/09/171372209.db2.gz PKHCYPNXKAIPFX-GZMMTYOYSA-N 1 0 218.300 3.182 10 0 BGAERO Cc1ccc(C(C)C)c2c1OCCC[C@@H]2[NH3+] ZINC000038052835 178453956 /nfs/dbraw/zinc/45/39/56/178453956.db2.gz FOCYCVKCDOGQPN-LBPRGKRZSA-N 1 0 219.328 3.291 10 0 BGAERO Cc1ccc(C(C)C)c2c1OCCC[C@H]2[NH3+] ZINC000038052836 178453409 /nfs/dbraw/zinc/45/34/09/178453409.db2.gz FOCYCVKCDOGQPN-GFCCVEGCSA-N 1 0 219.328 3.291 10 0 BGAERO CC[NH2+][C@@H]1COc2c1c(C(C)C)ccc2C ZINC000038052841 170153622 /nfs/dbraw/zinc/15/36/22/170153622.db2.gz CZMVJGQDKWNPEH-GFCCVEGCSA-N 1 0 219.328 3.161 10 0 BGAERO CC[NH2+][C@H]1COc2c1c(C(C)C)ccc2C ZINC000038052842 170168622 /nfs/dbraw/zinc/16/86/22/170168622.db2.gz CZMVJGQDKWNPEH-LBPRGKRZSA-N 1 0 219.328 3.161 10 0 BGAERO Cc1ccc(C(C)C)cc1OCCCC[NH3+] ZINC000038052942 178454708 /nfs/dbraw/zinc/45/47/08/178454708.db2.gz SASYLQUHTMJFKT-UHFFFAOYSA-N 1 0 221.344 3.236 10 0 BGAERO Cc1ccc(C(C)C)cc1O[C@H]1CCC[C@@H]1[NH3+] ZINC000038052981 178455273 /nfs/dbraw/zinc/45/52/73/178455273.db2.gz PKWULEOMMAAHLZ-KBPBESRZSA-N 1 0 233.355 3.377 10 0 BGAERO Cc1ccc(C(C)C)cc1O[C@@H]1CCC[C@H]1[NH3+] ZINC000038052982 178455241 /nfs/dbraw/zinc/45/52/41/178455241.db2.gz PKWULEOMMAAHLZ-ZIAGYGMSSA-N 1 0 233.355 3.377 10 0 BGAERO Cc1ccc(C(C)C)cc1OCCCC(N)=[NH2+] ZINC000038053067 178455125 /nfs/dbraw/zinc/45/51/25/178455125.db2.gz FKZVQGZVNRIORY-UHFFFAOYSA-N 1 0 234.343 3.213 10 0 BGAERO CCC[NH2+]CCOc1cc(C(C)C)ccc1C ZINC000038053089 169260325 /nfs/dbraw/zinc/26/03/25/169260325.db2.gz VPYILQXWLGSKPP-UHFFFAOYSA-N 1 0 235.371 3.497 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053650 170141275 /nfs/dbraw/zinc/14/12/75/170141275.db2.gz WCCCPUSFEQCSDA-JTQLQIEISA-N 1 0 249.745 3.196 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053651 170158963 /nfs/dbraw/zinc/15/89/63/170158963.db2.gz WCCCPUSFEQCSDA-SNVBAGLBSA-N 1 0 249.745 3.196 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1-n1cc(Cl)cn1 ZINC000038053662 170141840 /nfs/dbraw/zinc/14/18/40/170141840.db2.gz YEYYFPUYNNTYRA-JTQLQIEISA-N 1 0 249.745 3.196 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1-n1cc(Cl)cn1 ZINC000038053663 170160480 /nfs/dbraw/zinc/16/04/80/170160480.db2.gz YEYYFPUYNNTYRA-SNVBAGLBSA-N 1 0 249.745 3.196 10 0 BGAERO CCC[NH2+]Cc1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053845 169266992 /nfs/dbraw/zinc/26/69/92/169266992.db2.gz HNJQOVLLAODXOY-UHFFFAOYSA-N 1 0 249.745 3.025 10 0 BGAERO CC(C)[NH2+]Cc1ccc(-n2cc(Cl)cn2)cc1 ZINC000038053846 167119153 /nfs/dbraw/zinc/11/91/53/167119153.db2.gz RUQGNFJXMZXYIH-UHFFFAOYSA-N 1 0 249.745 3.024 10 0 BGAERO CCC[NH2+]Cc1ccccc1-n1cc(Cl)cn1 ZINC000038053849 169267909 /nfs/dbraw/zinc/26/79/09/169267909.db2.gz GDTNAMBSAQONHR-UHFFFAOYSA-N 1 0 249.745 3.025 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1-n1cc(Cl)cn1 ZINC000038053850 167119847 /nfs/dbraw/zinc/11/98/47/167119847.db2.gz PKIXVBSFUVOWCL-UHFFFAOYSA-N 1 0 249.745 3.024 10 0 BGAERO CCC(CC)[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057688 168407114 /nfs/dbraw/zinc/40/71/14/168407114.db2.gz YRYDXNSIVNZMEG-HNNXBMFYSA-N 1 0 233.355 3.448 10 0 BGAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057736 169373186 /nfs/dbraw/zinc/37/31/86/169373186.db2.gz HDEJZLFNNZLBPY-ABAIWWIYSA-N 1 0 233.355 3.448 10 0 BGAERO CCC[C@H](C)[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057737 169495295 /nfs/dbraw/zinc/49/52/95/169495295.db2.gz HDEJZLFNNZLBPY-NHYWBVRUSA-N 1 0 233.355 3.448 10 0 BGAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057738 169372363 /nfs/dbraw/zinc/37/23/63/169372363.db2.gz HDEJZLFNNZLBPY-IAQYHMDHSA-N 1 0 233.355 3.448 10 0 BGAERO CC(C)(C)C[C@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057824 166602111 /nfs/dbraw/zinc/60/21/11/166602111.db2.gz SCKJGAAHNCZSOY-ZDUSSCGKSA-N 1 0 233.355 3.448 10 0 BGAERO CC(C)(C)C[C@@H]([NH3+])c1ccc2c(c1)CCCO2 ZINC000038057825 166597045 /nfs/dbraw/zinc/59/70/45/166597045.db2.gz SCKJGAAHNCZSOY-CYBMUJFWSA-N 1 0 233.355 3.448 10 0 BGAERO C[NH2+][C@H](c1ccc2c(c1)CCCO2)C1CCC1 ZINC000038057935 173456866 /nfs/dbraw/zinc/45/68/66/173456866.db2.gz KSCRIVAOILEZCK-HNNXBMFYSA-N 1 0 231.339 3.072 10 0 BGAERO C[NH2+][C@H](c1ccc2c(c1)CCCO2)C1CCCC1 ZINC000038057937 173457149 /nfs/dbraw/zinc/45/71/49/173457149.db2.gz MYNUMRYOHXPDLG-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)CCCO2 ZINC000038058053 171398945 /nfs/dbraw/zinc/39/89/45/171398945.db2.gz KQDJBQCXYUJMHP-NHYWBVRUSA-N 1 0 233.355 3.318 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)CCCO2 ZINC000038058055 171373639 /nfs/dbraw/zinc/37/36/39/171373639.db2.gz KQDJBQCXYUJMHP-XHDPSFHLSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@@H]1C[C@@H]1C ZINC000038058110 170148300 /nfs/dbraw/zinc/14/83/00/170148300.db2.gz NXSCNYIFFXTEMQ-PEYYIBSZSA-N 1 0 245.366 3.318 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@@H]1C[C@@H]1C ZINC000038058111 170163895 /nfs/dbraw/zinc/16/38/95/170163895.db2.gz NXSCNYIFFXTEMQ-SGIREYDYSA-N 1 0 245.366 3.318 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)[C@H]1C[C@@H]1C ZINC000038058112 170148156 /nfs/dbraw/zinc/14/81/56/170148156.db2.gz NXSCNYIFFXTEMQ-PJODQICGSA-N 1 0 245.366 3.318 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)[C@H]1C[C@@H]1C ZINC000038058113 170164038 /nfs/dbraw/zinc/16/40/38/170164038.db2.gz NXSCNYIFFXTEMQ-HZUKXOBISA-N 1 0 245.366 3.318 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)C1CCC1 ZINC000038058116 170148846 /nfs/dbraw/zinc/14/88/46/170148846.db2.gz KFWNZHXGDOENQM-MRXNPFEDSA-N 1 0 245.366 3.462 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)C1CCC1 ZINC000038058117 170164142 /nfs/dbraw/zinc/16/41/42/170164142.db2.gz KFWNZHXGDOENQM-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)C(C)C ZINC000038058158 170148131 /nfs/dbraw/zinc/14/81/31/170148131.db2.gz LIRXQGYKGJOKRF-OAHLLOKOSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)C(C)C ZINC000038058159 170164218 /nfs/dbraw/zinc/16/42/18/170164218.db2.gz LIRXQGYKGJOKRF-HNNXBMFYSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)CCCO2)C1CC1 ZINC000038058178 170148621 /nfs/dbraw/zinc/14/86/21/170148621.db2.gz METVBDVCQXEKRR-OAHLLOKOSA-N 1 0 231.339 3.072 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)CCCO2)C1CC1 ZINC000038058179 170164032 /nfs/dbraw/zinc/16/40/32/170164032.db2.gz METVBDVCQXEKRR-HNNXBMFYSA-N 1 0 231.339 3.072 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)CCCO2)C1CC1 ZINC000038058248 169281209 /nfs/dbraw/zinc/28/12/09/169281209.db2.gz WDCUCAFNOZEYAY-MRXNPFEDSA-N 1 0 245.366 3.462 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)CCCO2)C1CC1 ZINC000038058249 169289893 /nfs/dbraw/zinc/28/98/93/169289893.db2.gz WDCUCAFNOZEYAY-INIZCTEOSA-N 1 0 245.366 3.462 10 0 BGAERO CC[NH2+][C@@H](C)c1cc(F)ccc1SC ZINC000038063758 170141429 /nfs/dbraw/zinc/14/14/29/170141429.db2.gz WQADVVAWVGRQIE-QMMMGPOBSA-N 1 0 213.321 3.218 10 0 BGAERO CC[NH2+][C@H](C)c1cc(F)ccc1SC ZINC000038063759 170159324 /nfs/dbraw/zinc/15/93/24/170159324.db2.gz WQADVVAWVGRQIE-MRVPVSSYSA-N 1 0 213.321 3.218 10 0 BGAERO CC[NH2+][C@@H](C)c1c(F)cccc1SC ZINC000038063764 170141059 /nfs/dbraw/zinc/14/10/59/170141059.db2.gz VMNQQNQKZPCALK-QMMMGPOBSA-N 1 0 213.321 3.218 10 0 BGAERO CC[NH2+][C@H](C)c1c(F)cccc1SC ZINC000038063765 170158818 /nfs/dbraw/zinc/15/88/18/170158818.db2.gz VMNQQNQKZPCALK-MRVPVSSYSA-N 1 0 213.321 3.218 10 0 BGAERO CCOC(=O)CC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000038064098 170211969 /nfs/dbraw/zinc/21/19/69/170211969.db2.gz SBMQLPKHYDMKMP-AWEZNQCLSA-N 1 0 249.354 3.153 10 0 BGAERO CCOC(=O)CC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000038064099 170210564 /nfs/dbraw/zinc/21/05/64/170210564.db2.gz SBMQLPKHYDMKMP-CQSZACIVSA-N 1 0 249.354 3.153 10 0 BGAERO CC[C@H](C)[NH2+]Cc1cc(C)nc2ccccc12 ZINC000038065487 171342166 /nfs/dbraw/zinc/34/21/66/171342166.db2.gz AFRLAXVHBRBPAL-NSHDSACASA-N 1 0 228.339 3.431 10 0 BGAERO CC[C@@H](C)C[C@@](CC)(N[C@@H](C)CC)C(=O)OC ZINC000038067160 171348810 /nfs/dbraw/zinc/34/88/10/171348810.db2.gz FEXNIOXLFWTABJ-MBNYWOFBSA-N 1 0 243.391 3.133 10 0 BGAERO COc1ccc(-c2cc(C)cc(C)c2)cc1C[NH3+] ZINC000038069774 175030797 /nfs/dbraw/zinc/03/07/97/175030797.db2.gz IEDONRCPRQKBEY-UHFFFAOYSA-N 1 0 241.334 3.438 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(-c2cccnc2)cc1 ZINC000038069867 173419146 /nfs/dbraw/zinc/41/91/46/173419146.db2.gz CNSFRCXWXBCCPC-NSHDSACASA-N 1 0 212.296 3.029 10 0 BGAERO C[NH2+][C@H](C)c1ccc(-c2cccnc2)cc1 ZINC000038069868 173448708 /nfs/dbraw/zinc/44/87/08/173448708.db2.gz CNSFRCXWXBCCPC-LLVKDONJSA-N 1 0 212.296 3.029 10 0 BGAERO CCC[NH2+]Cc1ccc(-c2cccnc2)cc1 ZINC000038069875 169266838 /nfs/dbraw/zinc/26/68/38/169266838.db2.gz VDKQJICQHFWVHU-UHFFFAOYSA-N 1 0 226.323 3.248 10 0 BGAERO CC[C@H]([NH3+])c1ccc(-c2cccnc2)cc1 ZINC000038069887 171491015 /nfs/dbraw/zinc/49/10/15/171491015.db2.gz LDULPIQYUIFDSB-AWEZNQCLSA-N 1 0 212.296 3.158 10 0 BGAERO CC[C@H]([NH3+])c1cccc(-c2cccnc2)c1 ZINC000038069890 171490981 /nfs/dbraw/zinc/49/09/81/171490981.db2.gz NMVUWWCVJOBRPZ-AWEZNQCLSA-N 1 0 212.296 3.158 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1-c1cccnc1 ZINC000038069895 170142314 /nfs/dbraw/zinc/14/23/14/170142314.db2.gz OWPWSPXNOLRESB-LBPRGKRZSA-N 1 0 226.323 3.419 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1-c1cccnc1 ZINC000038069896 170160502 /nfs/dbraw/zinc/16/05/02/170160502.db2.gz OWPWSPXNOLRESB-GFCCVEGCSA-N 1 0 226.323 3.419 10 0 BGAERO CC[NH2+][C@@H](C)c1cccc(-c2cccnc2)c1 ZINC000038069905 170142270 /nfs/dbraw/zinc/14/22/70/170142270.db2.gz YCSUJKAVPRDYKV-LBPRGKRZSA-N 1 0 226.323 3.419 10 0 BGAERO CC[NH2+][C@H](C)c1cccc(-c2cccnc2)c1 ZINC000038069906 170159400 /nfs/dbraw/zinc/15/94/00/170159400.db2.gz YCSUJKAVPRDYKV-GFCCVEGCSA-N 1 0 226.323 3.419 10 0 BGAERO CCC[NH2+]Cc1ccccc1-c1cccnc1 ZINC000038069910 169268190 /nfs/dbraw/zinc/26/81/90/169268190.db2.gz NRGIEPOQFVEWHR-UHFFFAOYSA-N 1 0 226.323 3.248 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1-c1cccnc1 ZINC000038069911 167119376 /nfs/dbraw/zinc/11/93/76/167119376.db2.gz KRIUSXUSVQZUGJ-UHFFFAOYSA-N 1 0 226.323 3.247 10 0 BGAERO CCC[NH2+]Cc1cc(-c2cccnc2)ccc1F ZINC000038069915 169265982 /nfs/dbraw/zinc/26/59/82/169265982.db2.gz HJBUFCSIXZIKNO-UHFFFAOYSA-N 1 0 244.313 3.387 10 0 BGAERO CCC[NH2+]Cc1ccc(-c2cccnc2)cc1F ZINC000038069926 169267305 /nfs/dbraw/zinc/26/73/05/169267305.db2.gz NQHSSVGTDMHHNW-UHFFFAOYSA-N 1 0 244.313 3.387 10 0 BGAERO CC(C)[NH2+]Cc1ccc(-c2cccnc2)cc1F ZINC000038069927 167119290 /nfs/dbraw/zinc/11/92/90/167119290.db2.gz RZENWINEUOOSOY-UHFFFAOYSA-N 1 0 244.313 3.386 10 0 BGAERO CCC[NH2+]Cc1ccc(F)c(-c2cccnc2)c1 ZINC000038069937 169266344 /nfs/dbraw/zinc/26/63/44/169266344.db2.gz GPVZSWMQDHYRAQ-UHFFFAOYSA-N 1 0 244.313 3.387 10 0 BGAERO CC(C)[NH2+]Cc1ccc(F)c(-c2cccnc2)c1 ZINC000038069938 167119344 /nfs/dbraw/zinc/11/93/44/167119344.db2.gz DXKIMVWDFOTGAT-UHFFFAOYSA-N 1 0 244.313 3.386 10 0 BGAERO Fc1ccc(C[NH2+]C2CC2)cc1-c1cccnc1 ZINC000038069939 180967618 /nfs/dbraw/zinc/96/76/18/180967618.db2.gz LMHWVLKBIJQQQL-UHFFFAOYSA-N 1 0 242.297 3.140 10 0 BGAERO COc1ccc(-c2ccc(Cl)cc2)cc1C[NH3+] ZINC000038069955 175033409 /nfs/dbraw/zinc/03/34/09/175033409.db2.gz PPBREHZYDHSXGT-UHFFFAOYSA-N 1 0 247.725 3.474 10 0 BGAERO COc1ccc(-c2ccc(C)cc2)cc1C[NH3+] ZINC000038070010 175033396 /nfs/dbraw/zinc/03/33/96/175033396.db2.gz QFKVMLOWBWCOPC-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO C[NH2+]Cc1cccc(-c2ccc(C)cc2)c1 ZINC000038070028 187943138 /nfs/dbraw/zinc/94/31/38/187943138.db2.gz MAPWJPRSJNPTNU-UHFFFAOYSA-N 1 0 211.308 3.381 10 0 BGAERO C[NH2+]Cc1ccccc1-c1ccc(C)cc1 ZINC000038070037 343368560 /nfs/dbraw/zinc/36/85/60/343368560.db2.gz HQRZFFIWBLLGMA-UHFFFAOYSA-N 1 0 211.308 3.381 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(C)cc2)ccc1OC ZINC000038070058 173384810 /nfs/dbraw/zinc/38/48/10/173384810.db2.gz MDARIYDDFADLMA-UHFFFAOYSA-N 1 0 241.334 3.390 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070071 173388107 /nfs/dbraw/zinc/38/81/07/173388107.db2.gz DXGOZLAXXPTAHL-UHFFFAOYSA-N 1 0 240.350 3.139 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070078 176775983 /nfs/dbraw/zinc/77/59/83/176775983.db2.gz TUQNAWCBQBBLDL-LBPRGKRZSA-N 1 0 240.350 3.439 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-c2ccc(N(C)C)cc2)cc1 ZINC000038070079 384065082 /nfs/dbraw/zinc/06/50/82/384065082.db2.gz TUQNAWCBQBBLDL-GFCCVEGCSA-N 1 0 240.350 3.439 10 0 BGAERO C[NH2+]Cc1cccc(-c2ccc(N(C)C)cc2)c1 ZINC000038070096 343368997 /nfs/dbraw/zinc/36/89/97/343368997.db2.gz BOTKIOSNOBZYKN-UHFFFAOYSA-N 1 0 240.350 3.139 10 0 BGAERO C[NH2+]Cc1ccccc1-c1ccc(N(C)C)cc1 ZINC000038070107 187426030 /nfs/dbraw/zinc/42/60/30/187426030.db2.gz YLSQPICCLKOXNT-UHFFFAOYSA-N 1 0 240.350 3.139 10 0 BGAERO C[NH2+]Cc1ccc(-c2cc(F)cc(F)c2)cc1 ZINC000038070212 173388060 /nfs/dbraw/zinc/38/80/60/173388060.db2.gz MYDOWVBIFJJNOR-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO COc1ccc(-c2cc(F)cc(F)c2)cc1C[NH3+] ZINC000038070217 175031895 /nfs/dbraw/zinc/03/18/95/175031895.db2.gz DNVMXBPZRQVPRC-UHFFFAOYSA-N 1 0 249.260 3.099 10 0 BGAERO [NH3+]Cc1cccc(-c2cc(F)cc(F)c2)c1 ZINC000038070224 384065127 /nfs/dbraw/zinc/06/51/27/384065127.db2.gz KDNQCFXORNOIMG-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO [NH3+]Cc1ccccc1-c1cc(F)cc(F)c1 ZINC000038070227 200654085 /nfs/dbraw/zinc/65/40/85/200654085.db2.gz SANJGVJAEPUFEF-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO COc1ccc(-c2cc(C)ccc2F)cc1C[NH3+] ZINC000038070288 175031066 /nfs/dbraw/zinc/03/10/66/175031066.db2.gz NNCYCBNSBKYICZ-UHFFFAOYSA-N 1 0 245.297 3.268 10 0 BGAERO COc1ccccc1-c1ccccc1[C@H](C)[NH3+] ZINC000038070416 175310197 /nfs/dbraw/zinc/31/01/97/175310197.db2.gz BQMOKQUTKGYZPQ-NSHDSACASA-N 1 0 227.307 3.382 10 0 BGAERO COc1ccccc1-c1ccccc1[C@@H](C)[NH3+] ZINC000038070417 175309742 /nfs/dbraw/zinc/30/97/42/175309742.db2.gz BQMOKQUTKGYZPQ-LLVKDONJSA-N 1 0 227.307 3.382 10 0 BGAERO COc1ccccc1-c1cccc([C@H](C)[NH3+])c1 ZINC000038070418 175310301 /nfs/dbraw/zinc/31/03/01/175310301.db2.gz MALAMAPBCAATLO-NSHDSACASA-N 1 0 227.307 3.382 10 0 BGAERO COc1ccccc1-c1cccc([C@@H](C)[NH3+])c1 ZINC000038070419 175309801 /nfs/dbraw/zinc/30/98/01/175309801.db2.gz MALAMAPBCAATLO-LLVKDONJSA-N 1 0 227.307 3.382 10 0 BGAERO C[NH2+]Cc1cccc(-c2ccccc2OC)c1 ZINC000038070432 343369145 /nfs/dbraw/zinc/36/91/45/343369145.db2.gz OSDLDOKVGLCYSP-UHFFFAOYSA-N 1 0 227.307 3.082 10 0 BGAERO CC[NH2+]Cc1ccccc1-c1ccccc1OC ZINC000038070443 170127936 /nfs/dbraw/zinc/12/79/36/170127936.db2.gz IGFUARAZKOBMPH-UHFFFAOYSA-N 1 0 241.334 3.472 10 0 BGAERO C[NH2+]Cc1cc(-c2ccccc2OC)ccc1F ZINC000038070447 173386079 /nfs/dbraw/zinc/38/60/79/173386079.db2.gz WDTOUJSRJUMDHY-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccccc2OC)cc1F ZINC000038070458 173388269 /nfs/dbraw/zinc/38/82/69/173388269.db2.gz BACYUNCULFSUDI-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO C[NH2+]Cc1ccc(F)c(-c2ccccc2OC)c1 ZINC000038070469 188117162 /nfs/dbraw/zinc/11/71/62/188117162.db2.gz CDFXIGXZLHSEFS-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO C[NH2+]Cc1cc(-c2ccccc2)ccc1OC ZINC000038070653 173385953 /nfs/dbraw/zinc/38/59/53/173385953.db2.gz ZJZGISNEFBAUKU-UHFFFAOYSA-N 1 0 227.307 3.082 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccccc2C)cc1 ZINC000038070667 173388037 /nfs/dbraw/zinc/38/80/37/173388037.db2.gz PJQUSCHGQJXHLD-UHFFFAOYSA-N 1 0 211.308 3.381 10 0 BGAERO COc1ccc(-c2ccccc2C)cc1C[NH3+] ZINC000038070672 175034945 /nfs/dbraw/zinc/03/49/45/175034945.db2.gz JFBNATIVCLNXMN-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO C[NH2+]Cc1ccccc1-c1ccccc1C ZINC000038070703 343450811 /nfs/dbraw/zinc/45/08/11/343450811.db2.gz GHPOYDBUDXWVSM-UHFFFAOYSA-N 1 0 211.308 3.381 10 0 BGAERO C[NH2+]Cc1cc(-c2ccccc2C)ccc1OC ZINC000038070731 173386418 /nfs/dbraw/zinc/38/64/18/173386418.db2.gz STIDWUROFKWJBC-UHFFFAOYSA-N 1 0 241.334 3.390 10 0 BGAERO C[NH2+]Cc1cccc(-c2ccc(F)cc2)c1 ZINC000038070765 343369010 /nfs/dbraw/zinc/36/90/10/343369010.db2.gz UJIWBZYUFTZMRQ-UHFFFAOYSA-N 1 0 215.271 3.212 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(F)cc2)ccc1F ZINC000038070780 173385338 /nfs/dbraw/zinc/38/53/38/173385338.db2.gz RCHFLISZHRXXSP-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(F)cc2)cc1F ZINC000038070789 173388212 /nfs/dbraw/zinc/38/82/12/173388212.db2.gz HSWGAHLIRNCJQI-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(F)cc2)ccc1OC ZINC000038070803 173385369 /nfs/dbraw/zinc/38/53/69/173385369.db2.gz JLKBMWASMJMJGD-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO COc1ccc(-c2cc(F)ccc2C)cc1C[NH3+] ZINC000038070819 175031305 /nfs/dbraw/zinc/03/13/05/175031305.db2.gz QDSDNRUCYILHPV-UHFFFAOYSA-N 1 0 245.297 3.268 10 0 BGAERO Cc1ccc(F)cc1-c1cc(C[NH3+])ccc1F ZINC000038070836 178681308 /nfs/dbraw/zinc/68/13/08/178681308.db2.gz OUHRZBNVTOGLKF-UHFFFAOYSA-N 1 0 233.261 3.399 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC000038070928 173387868 /nfs/dbraw/zinc/38/78/68/173387868.db2.gz WOGVLOKUASCYSE-UHFFFAOYSA-N 1 0 227.307 3.082 10 0 BGAERO CC[NH2+]Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC000038070929 170126351 /nfs/dbraw/zinc/12/63/51/170126351.db2.gz UDPDQCBZFQZZTB-UHFFFAOYSA-N 1 0 241.334 3.472 10 0 BGAERO COc1ccc(-c2ccccc2[C@H](C)[NH3+])cc1 ZINC000038070935 175035011 /nfs/dbraw/zinc/03/50/11/175035011.db2.gz CFOXNYFOHNHEQY-NSHDSACASA-N 1 0 227.307 3.382 10 0 BGAERO COc1ccc(-c2ccccc2[C@@H](C)[NH3+])cc1 ZINC000038070936 175035310 /nfs/dbraw/zinc/03/53/10/175035310.db2.gz CFOXNYFOHNHEQY-LLVKDONJSA-N 1 0 227.307 3.382 10 0 BGAERO COc1ccc(-c2cccc([C@H](C)[NH3+])c2)cc1 ZINC000038070937 175034977 /nfs/dbraw/zinc/03/49/77/175034977.db2.gz XPVIWVITQXWALM-NSHDSACASA-N 1 0 227.307 3.382 10 0 BGAERO COc1ccc(-c2cccc([C@@H](C)[NH3+])c2)cc1 ZINC000038070938 175035073 /nfs/dbraw/zinc/03/50/73/175035073.db2.gz XPVIWVITQXWALM-LLVKDONJSA-N 1 0 227.307 3.382 10 0 BGAERO C[NH2+]Cc1ccccc1-c1ccc(OC)cc1 ZINC000038070960 343369091 /nfs/dbraw/zinc/36/90/91/343369091.db2.gz SOAXASCYJXICDW-UHFFFAOYSA-N 1 0 227.307 3.082 10 0 BGAERO CC[NH2+]Cc1ccccc1-c1ccc(OC)cc1 ZINC000038070961 170128621 /nfs/dbraw/zinc/12/86/21/170128621.db2.gz SDAOVCQWSHZSBP-UHFFFAOYSA-N 1 0 241.334 3.472 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(OC)cc2)ccc1F ZINC000038070965 173386114 /nfs/dbraw/zinc/38/61/14/173386114.db2.gz JCEAOHVQOMAYAP-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(OC)cc2)cc1F ZINC000038070974 173388227 /nfs/dbraw/zinc/38/82/27/173388227.db2.gz LJTBXYYXRXHWKF-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO COc1ccc(-c2ccc(F)cc2C)cc1C[NH3+] ZINC000038071170 175033835 /nfs/dbraw/zinc/03/38/35/175033835.db2.gz PQJQWIFTWVRUQW-UHFFFAOYSA-N 1 0 245.297 3.268 10 0 BGAERO Cc1cc(F)ccc1-c1cccc(C[NH3+])c1 ZINC000038071177 178080912 /nfs/dbraw/zinc/08/09/12/178080912.db2.gz AUJMEQYKLCHDSZ-UHFFFAOYSA-N 1 0 215.271 3.260 10 0 BGAERO Cc1cc(F)ccc1-c1ccc(C[NH3+])c(F)c1 ZINC000038071184 178081223 /nfs/dbraw/zinc/08/12/23/178081223.db2.gz OFGGCJLTDKYHRN-UHFFFAOYSA-N 1 0 233.261 3.399 10 0 BGAERO Cc1cc(F)ccc1-c1cc(C[NH3+])ccc1F ZINC000038071187 178081285 /nfs/dbraw/zinc/08/12/85/178081285.db2.gz WPQYOCLXEXIMGR-UHFFFAOYSA-N 1 0 233.261 3.399 10 0 BGAERO COc1ccc(-c2ccc(F)c(C)c2)cc1C[NH3+] ZINC000038071280 175033411 /nfs/dbraw/zinc/03/34/11/175033411.db2.gz XUAGSRRFJSEWGH-UHFFFAOYSA-N 1 0 245.297 3.268 10 0 BGAERO Cc1cc(-c2cc(C[NH3+])ccc2F)ccc1F ZINC000038071297 177682645 /nfs/dbraw/zinc/68/26/45/177682645.db2.gz OGWFFFTZIBHSJC-UHFFFAOYSA-N 1 0 233.261 3.399 10 0 BGAERO C[NH2+]Cc1ccc(-c2cccc(OC)c2)cc1 ZINC000038071441 173388040 /nfs/dbraw/zinc/38/80/40/173388040.db2.gz XENPPGWYJSGNGD-UHFFFAOYSA-N 1 0 227.307 3.082 10 0 BGAERO CC[NH2+]Cc1ccc(-c2cccc(OC)c2)cc1 ZINC000038071442 170126318 /nfs/dbraw/zinc/12/63/18/170126318.db2.gz WTIVRIKQKSWWIQ-UHFFFAOYSA-N 1 0 241.334 3.472 10 0 BGAERO COc1cccc(-c2ccccc2[C@H](C)[NH3+])c1 ZINC000038071448 175235481 /nfs/dbraw/zinc/23/54/81/175235481.db2.gz QLFOQIJZEVFZNU-NSHDSACASA-N 1 0 227.307 3.382 10 0 BGAERO COc1cccc(-c2ccccc2[C@@H](C)[NH3+])c1 ZINC000038071449 175234866 /nfs/dbraw/zinc/23/48/66/175234866.db2.gz QLFOQIJZEVFZNU-LLVKDONJSA-N 1 0 227.307 3.382 10 0 BGAERO COc1cccc(-c2cccc([C@H](C)[NH3+])c2)c1 ZINC000038071450 175235372 /nfs/dbraw/zinc/23/53/72/175235372.db2.gz CYHZGJPINIJWAO-NSHDSACASA-N 1 0 227.307 3.382 10 0 BGAERO COc1cccc(-c2cccc([C@@H](C)[NH3+])c2)c1 ZINC000038071451 175235333 /nfs/dbraw/zinc/23/53/33/175235333.db2.gz CYHZGJPINIJWAO-LLVKDONJSA-N 1 0 227.307 3.382 10 0 BGAERO CC[NH2+]Cc1ccccc1-c1cccc(OC)c1 ZINC000038071475 170128161 /nfs/dbraw/zinc/12/81/61/170128161.db2.gz JYRPLENGEKHHHE-UHFFFAOYSA-N 1 0 241.334 3.472 10 0 BGAERO C[NH2+]Cc1cc(-c2cccc(OC)c2)ccc1F ZINC000038071479 173385805 /nfs/dbraw/zinc/38/58/05/173385805.db2.gz SYONKQYKSWXVFO-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO C[NH2+]Cc1ccc(-c2cccc(OC)c2)cc1F ZINC000038071488 173387738 /nfs/dbraw/zinc/38/77/38/173387738.db2.gz RLEOVJZNJMHXOH-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO COc1ccc(-c2cccc(C)c2)cc1C[NH3+] ZINC000038071517 175034474 /nfs/dbraw/zinc/03/44/74/175034474.db2.gz VVXBYHPYCJJGGI-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO C[NH2+]Cc1cc(-c2cccc(C)c2)ccc1OC ZINC000038071565 173385945 /nfs/dbraw/zinc/38/59/45/173385945.db2.gz SFXGMAFXIZCIIY-UHFFFAOYSA-N 1 0 241.334 3.390 10 0 BGAERO C[NH2+]Cc1cc(-c2cccc(F)c2)ccc1F ZINC000038071620 173385731 /nfs/dbraw/zinc/38/57/31/173385731.db2.gz VVSXVWYVQSITAF-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO C[NH2+]Cc1ccc(-c2cccc(F)c2)cc1F ZINC000038071629 173388305 /nfs/dbraw/zinc/38/83/05/173388305.db2.gz WKGLHQXYQQTTMH-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO C[NH2+]Cc1ccc(F)c(-c2cccc(F)c2)c1 ZINC000038071638 187426530 /nfs/dbraw/zinc/42/65/30/187426530.db2.gz RLDQQJNZRQRFNB-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO C[NH2+]Cc1cc(-c2cccc(F)c2)ccc1OC ZINC000038071643 173386366 /nfs/dbraw/zinc/38/63/66/173386366.db2.gz OKLOVKXLPYTVKH-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO COc1ccc(-c2cc(F)ccc2F)cc1C[NH3+] ZINC000038072218 175031447 /nfs/dbraw/zinc/03/14/47/175031447.db2.gz PQBZPSGYQONGOK-UHFFFAOYSA-N 1 0 249.260 3.099 10 0 BGAERO C[NH2+]Cc1cccc(-c2cc(F)ccc2F)c1 ZINC000038072240 188117149 /nfs/dbraw/zinc/11/71/49/188117149.db2.gz JHCHJLNGUGAETA-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO C[NH2+]Cc1ccccc1-c1cc(F)ccc1F ZINC000038072249 187773016 /nfs/dbraw/zinc/77/30/16/187773016.db2.gz IKOIMKIVFMNJOL-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO [NH3+]Cc1ccc(-c2ccc(F)cc2F)cc1 ZINC000038072336 181477892 /nfs/dbraw/zinc/47/78/92/181477892.db2.gz ZCNDBTNLIAEYJZ-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO [NH3+]Cc1cccc(-c2ccc(F)cc2F)c1 ZINC000038072339 181487978 /nfs/dbraw/zinc/48/79/78/181487978.db2.gz XPRONEVMJTWASY-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO Cc1ccc(-c2cccc(C[NH3+])c2)c(C)c1 ZINC000038072467 178326485 /nfs/dbraw/zinc/32/64/85/178326485.db2.gz LAFLHNFHZCUBFG-UHFFFAOYSA-N 1 0 211.308 3.429 10 0 BGAERO Cc1ccc(-c2ccccc2C[NH3+])c(C)c1 ZINC000038072470 178326953 /nfs/dbraw/zinc/32/69/53/178326953.db2.gz KTPVIKOLPPXYBJ-UHFFFAOYSA-N 1 0 211.308 3.429 10 0 BGAERO [NH3+]Cc1ccc(-c2ccc(F)c(F)c2)cc1 ZINC000038072571 383899830 /nfs/dbraw/zinc/89/98/30/383899830.db2.gz WIZCUZGNJJBZJB-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO [NH3+]Cc1cccc(-c2ccc(F)c(F)c2)c1 ZINC000038072574 181487828 /nfs/dbraw/zinc/48/78/28/181487828.db2.gz XWTZNVSXTNPYOU-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO [NH3+]Cc1ccccc1-c1ccc(F)c(F)c1 ZINC000038072577 343316727 /nfs/dbraw/zinc/31/67/27/343316727.db2.gz DNEIKYUOJZODNR-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO [NH3+]Cc1ccc(F)c(-c2ccc(F)c(F)c2)c1 ZINC000038072584 181483737 /nfs/dbraw/zinc/48/37/37/181483737.db2.gz DTIMULFSIGYJFU-UHFFFAOYSA-N 1 0 237.224 3.230 10 0 BGAERO COCCc1ccc(-c2ccc(C[NH3+])cc2)cc1 ZINC000038072648 343449990 /nfs/dbraw/zinc/44/99/90/343449990.db2.gz YVHJWSCAVGHXMT-UHFFFAOYSA-N 1 0 241.334 3.001 10 0 BGAERO COCCc1ccc(-c2cccc(C[NH3+])c2)cc1 ZINC000038072651 343449962 /nfs/dbraw/zinc/44/99/62/343449962.db2.gz NMXWLHYBHPHFHI-UHFFFAOYSA-N 1 0 241.334 3.001 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])c(F)c2)c(C)c1 ZINC000038072714 175033060 /nfs/dbraw/zinc/03/30/60/175033060.db2.gz RFHLZXFDYIYUKG-UHFFFAOYSA-N 1 0 245.297 3.268 10 0 BGAERO COc1ccc(-c2cc(C[NH3+])ccc2F)c(C)c1 ZINC000038072717 175031539 /nfs/dbraw/zinc/03/15/39/175031539.db2.gz IWEKAYSNLAMHDK-UHFFFAOYSA-N 1 0 245.297 3.268 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000038072935 343450232 /nfs/dbraw/zinc/45/02/32/343450232.db2.gz MPWFVKFNWFCQGX-NSHDSACASA-N 1 0 239.318 3.308 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000038072936 175817299 /nfs/dbraw/zinc/81/72/99/175817299.db2.gz MPWFVKFNWFCQGX-LLVKDONJSA-N 1 0 239.318 3.308 10 0 BGAERO C[C@H]([NH3+])c1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000038072941 343450037 /nfs/dbraw/zinc/45/00/37/343450037.db2.gz KIZFPPQFQANZLB-NSHDSACASA-N 1 0 239.318 3.308 10 0 BGAERO C[C@@H]([NH3+])c1cccc(-c2ccc3c(c2)CCO3)c1 ZINC000038072942 384239348 /nfs/dbraw/zinc/23/93/48/384239348.db2.gz KIZFPPQFQANZLB-LLVKDONJSA-N 1 0 239.318 3.308 10 0 BGAERO Cc1ccc(-c2cccc(C[NH3+])c2)cc1C ZINC000038073007 178326568 /nfs/dbraw/zinc/32/65/68/178326568.db2.gz GOWTXGWNDZYKCR-UHFFFAOYSA-N 1 0 211.308 3.429 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccc(-c2cnn(C)c2)cc1 ZINC000038073057 169276224 /nfs/dbraw/zinc/27/62/24/169276224.db2.gz JXDWRZZJEKOSGO-LBPRGKRZSA-N 1 0 243.354 3.148 10 0 BGAERO CCC[NH2+][C@H](C)c1ccc(-c2cnn(C)c2)cc1 ZINC000038073058 169287328 /nfs/dbraw/zinc/28/73/28/169287328.db2.gz JXDWRZZJEKOSGO-GFCCVEGCSA-N 1 0 243.354 3.148 10 0 BGAERO CCC[NH2+][C@@H](C)c1ccccc1-c1cnn(C)c1 ZINC000038073084 169277450 /nfs/dbraw/zinc/27/74/50/169277450.db2.gz RNUSDFCANIHUKP-LBPRGKRZSA-N 1 0 243.354 3.148 10 0 BGAERO CCC[NH2+][C@H](C)c1ccccc1-c1cnn(C)c1 ZINC000038073085 169286761 /nfs/dbraw/zinc/28/67/61/169286761.db2.gz RNUSDFCANIHUKP-GFCCVEGCSA-N 1 0 243.354 3.148 10 0 BGAERO CCC[NH2+][C@@H](C)c1cccc(-c2cnn(C)c2)c1 ZINC000038073095 169277470 /nfs/dbraw/zinc/27/74/70/169277470.db2.gz WJJRJPQUMCMRSV-LBPRGKRZSA-N 1 0 243.354 3.148 10 0 BGAERO CCC[NH2+][C@H](C)c1cccc(-c2cnn(C)c2)c1 ZINC000038073096 169287477 /nfs/dbraw/zinc/28/74/77/169287477.db2.gz WJJRJPQUMCMRSV-GFCCVEGCSA-N 1 0 243.354 3.148 10 0 BGAERO CC[NH2+][C@@H](CC)c1ccc(-c2cnn(C)c2)cc1 ZINC000038073109 170143871 /nfs/dbraw/zinc/14/38/71/170143871.db2.gz FPDKQTGRBYAPIR-HNNXBMFYSA-N 1 0 243.354 3.148 10 0 BGAERO CC[NH2+][C@H](CC)c1ccc(-c2cnn(C)c2)cc1 ZINC000038073110 170161991 /nfs/dbraw/zinc/16/19/91/170161991.db2.gz FPDKQTGRBYAPIR-OAHLLOKOSA-N 1 0 243.354 3.148 10 0 BGAERO CC[NH2+][C@@H](CC)c1cccc(-c2cnn(C)c2)c1 ZINC000038073120 170144314 /nfs/dbraw/zinc/14/43/14/170144314.db2.gz VVDFGTZQPFVMLI-HNNXBMFYSA-N 1 0 243.354 3.148 10 0 BGAERO CC[NH2+][C@H](CC)c1cccc(-c2cnn(C)c2)c1 ZINC000038073121 170161876 /nfs/dbraw/zinc/16/18/76/170161876.db2.gz VVDFGTZQPFVMLI-OAHLLOKOSA-N 1 0 243.354 3.148 10 0 BGAERO [NH3+]Cc1ccc(-c2ccc3c(c2)CCC3)cc1 ZINC000038073322 343450498 /nfs/dbraw/zinc/45/04/98/343450498.db2.gz WJEUEPLUJVLTAD-UHFFFAOYSA-N 1 0 223.319 3.301 10 0 BGAERO [NH3+]Cc1cccc(-c2ccc3c(c2)CCC3)c1 ZINC000038073325 343450760 /nfs/dbraw/zinc/45/07/60/343450760.db2.gz WLKMHOCCKYLWDW-UHFFFAOYSA-N 1 0 223.319 3.301 10 0 BGAERO C[NH2+]Cc1ccc(-c2cc(F)ccc2OC)cc1 ZINC000038073360 173388208 /nfs/dbraw/zinc/38/82/08/173388208.db2.gz GXUVZJWSLPJDLV-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO COc1ccc(F)cc1-c1ccc(C[NH3+])c(F)c1 ZINC000038073379 175127578 /nfs/dbraw/zinc/12/75/78/175127578.db2.gz TYJNXZAMFYSOTB-UHFFFAOYSA-N 1 0 249.260 3.099 10 0 BGAERO COc1ccc(F)cc1-c1cc(C[NH3+])ccc1F ZINC000038073382 175127727 /nfs/dbraw/zinc/12/77/27/175127727.db2.gz XHROZVKPPMJECO-UHFFFAOYSA-N 1 0 249.260 3.099 10 0 BGAERO C[C@@H]1Cc2cc(-c3cccc(C[NH3+])c3)ccc2O1 ZINC000038073532 712805336 /nfs/dbraw/zinc/80/53/36/712805336.db2.gz KVBOGDNSNQDNFG-LLVKDONJSA-N 1 0 239.318 3.136 10 0 BGAERO C[C@H]1Cc2cc(-c3cccc(C[NH3+])c3)ccc2O1 ZINC000038073533 712805300 /nfs/dbraw/zinc/80/53/00/712805300.db2.gz KVBOGDNSNQDNFG-NSHDSACASA-N 1 0 239.318 3.136 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(OC)c(C)c2)cc1 ZINC000038073614 173387775 /nfs/dbraw/zinc/38/77/75/173387775.db2.gz BWFWNXITMQQWAT-UHFFFAOYSA-N 1 0 241.334 3.390 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])c(F)c2)cc1C ZINC000038073632 175032908 /nfs/dbraw/zinc/03/29/08/175032908.db2.gz ZKYWLFVQCMUNDZ-UHFFFAOYSA-N 1 0 245.297 3.268 10 0 BGAERO COc1ccc(-c2cc(C[NH3+])ccc2F)cc1C ZINC000038073635 175031524 /nfs/dbraw/zinc/03/15/24/175031524.db2.gz AOQVQLZMFRGAAY-UHFFFAOYSA-N 1 0 245.297 3.268 10 0 BGAERO COc1ccc(-c2ccc(F)c(C[NH3+])c2)cc1F ZINC000038073696 175033039 /nfs/dbraw/zinc/03/30/39/175033039.db2.gz NEGFDGVEHXTELQ-UHFFFAOYSA-N 1 0 249.260 3.099 10 0 BGAERO COc1ccc(-c2cc(C[NH3+])ccc2F)cc1F ZINC000038073702 175031430 /nfs/dbraw/zinc/03/14/30/175031430.db2.gz YMCGEIRRASSDTP-UHFFFAOYSA-N 1 0 249.260 3.099 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(OC)cc2F)cc1 ZINC000038073756 173388258 /nfs/dbraw/zinc/38/82/58/173388258.db2.gz RYSZJUGYSFUGOJ-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])c(F)c2)c(F)c1 ZINC000038073775 175033194 /nfs/dbraw/zinc/03/31/94/175033194.db2.gz POSTXRLOAICFLV-UHFFFAOYSA-N 1 0 249.260 3.099 10 0 BGAERO COc1ccc(-c2cc(C[NH3+])ccc2F)c(F)c1 ZINC000038073778 175031523 /nfs/dbraw/zinc/03/15/23/175031523.db2.gz RUCKITSRXFBOOI-UHFFFAOYSA-N 1 0 249.260 3.099 10 0 BGAERO C[NH2+]Cc1ccccc1-c1ccc(OC)cc1F ZINC000038073796 187599365 /nfs/dbraw/zinc/59/93/65/187599365.db2.gz UTSPIKRTNBNOSJ-UHFFFAOYSA-N 1 0 245.297 3.221 10 0 BGAERO [NH3+]Cc1cccc(-c2ccc3c(c2)CCCO3)c1 ZINC000038073853 384239152 /nfs/dbraw/zinc/23/91/52/384239152.db2.gz JRVKVJXSWCGPIC-UHFFFAOYSA-N 1 0 239.318 3.137 10 0 BGAERO Cc1cc(C)cc(C[C@H]([NH3+])Cc2ccccc2)c1 ZINC000038077332 188117363 /nfs/dbraw/zinc/11/73/63/188117363.db2.gz RCYLMYVJOFRQTK-QGZVFWFLSA-N 1 0 239.362 3.416 10 0 BGAERO COc1ccc(-c2ccccc2Cl)cc1C[NH3+] ZINC000038078192 175034961 /nfs/dbraw/zinc/03/49/61/175034961.db2.gz FOSFEKMOIHLMRO-UHFFFAOYSA-N 1 0 247.725 3.474 10 0 BGAERO [NH3+]C1(c2ccccc2Cl)Cc2ccccc2C1 ZINC000038078317 181334604 /nfs/dbraw/zinc/33/46/04/181334604.db2.gz CFEHODVFFRZGRI-UHFFFAOYSA-N 1 0 243.737 3.293 10 0 BGAERO [NH3+][C@]1(c2ccccc2Cl)CCc2ccccc21 ZINC000038078320 181663308 /nfs/dbraw/zinc/66/33/08/181663308.db2.gz NFQGHYPIEHOLNQ-OAHLLOKOSA-N 1 0 243.737 3.489 10 0 BGAERO [NH3+][C@H](c1ccsc1)c1ccccc1Cl ZINC000038078491 350305125 /nfs/dbraw/zinc/30/51/25/350305125.db2.gz BJXORZRBMVOZNN-LLVKDONJSA-N 1 0 223.728 3.450 10 0 BGAERO [NH3+][C@@H](c1ccsc1)c1ccccc1Cl ZINC000038078492 350305042 /nfs/dbraw/zinc/30/50/42/350305042.db2.gz BJXORZRBMVOZNN-NSHDSACASA-N 1 0 223.728 3.450 10 0 BGAERO C[NH2+][C@@H](c1cccnc1)c1ccccc1Cl ZINC000038078541 173429981 /nfs/dbraw/zinc/42/99/81/173429981.db2.gz LANOQQSRZYBHNX-ZDUSSCGKSA-N 1 0 232.714 3.044 10 0 BGAERO CC[NH2+][C@@H](c1cccnc1)c1ccccc1Cl ZINC000038078543 170148505 /nfs/dbraw/zinc/14/85/05/170148505.db2.gz RKHUGVTXMPAKOV-AWEZNQCLSA-N 1 0 246.741 3.434 10 0 BGAERO CC[NH2+][C@H](c1cccnc1)c1ccccc1Cl ZINC000038078544 170164736 /nfs/dbraw/zinc/16/47/36/170164736.db2.gz RKHUGVTXMPAKOV-CQSZACIVSA-N 1 0 246.741 3.434 10 0 BGAERO CC[NH2+][C@@H](c1ccncc1)c1ccccc1Cl ZINC000038078549 170148568 /nfs/dbraw/zinc/14/85/68/170148568.db2.gz AFMXWPPRPBKLNT-AWEZNQCLSA-N 1 0 246.741 3.434 10 0 BGAERO CC[NH2+][C@H](c1ccncc1)c1ccccc1Cl ZINC000038078550 170164623 /nfs/dbraw/zinc/16/46/23/170164623.db2.gz AFMXWPPRPBKLNT-CQSZACIVSA-N 1 0 246.741 3.434 10 0 BGAERO C[NH2+][C@@H](C[C@@H]1CCCO1)c1ccccc1Cl ZINC000038078569 173425318 /nfs/dbraw/zinc/42/53/18/173425318.db2.gz ZKJCOXRUOKRMEN-GWCFXTLKSA-N 1 0 239.746 3.170 10 0 BGAERO C[C@H](C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C)N(C)C ZINC000038088875 357518950 /nfs/dbraw/zinc/51/89/50/357518950.db2.gz WOQGCWNUJPMHHB-HZSPNIEDSA-N 1 0 240.435 3.131 10 0 BGAERO C[C@H](C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C)N(C)C ZINC000038088877 357518921 /nfs/dbraw/zinc/51/89/21/357518921.db2.gz WOQGCWNUJPMHHB-RDBSUJKOSA-N 1 0 240.435 3.131 10 0 BGAERO CC[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccc(O)cc1 ZINC000038095532 171523364 /nfs/dbraw/zinc/52/33/64/171523364.db2.gz LLBUCXQFZZMNMD-GJZGRUSLSA-N 1 0 249.354 3.002 10 0 BGAERO CC[C@H]([NH2+]CC[C@H]1CCCO1)c1ccc(O)cc1 ZINC000038095534 171523115 /nfs/dbraw/zinc/52/31/15/171523115.db2.gz LLBUCXQFZZMNMD-CABCVRRESA-N 1 0 249.354 3.002 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038095603 179337844 /nfs/dbraw/zinc/33/78/44/179337844.db2.gz LKBQNXHQDZCVBU-KBPBESRZSA-N 1 0 233.355 3.215 10 0 BGAERO C[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000038095742 538964667 /nfs/dbraw/zinc/96/46/67/538964667.db2.gz HZOFFEHAEGOWMU-FZMZJTMJSA-N 1 0 237.318 3.045 10 0 BGAERO C[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccc(F)c1 ZINC000038095743 538964759 /nfs/dbraw/zinc/96/47/59/538964759.db2.gz HZOFFEHAEGOWMU-RISCZKNCSA-N 1 0 237.318 3.045 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038095770 171830103 /nfs/dbraw/zinc/83/01/03/171830103.db2.gz AJDMJMXHAZUFLC-CJNGLKHVSA-N 1 0 247.382 3.469 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cc1 ZINC000038095771 387572573 /nfs/dbraw/zinc/57/25/73/387572573.db2.gz AJDMJMXHAZUFLC-BBRMVZONSA-N 1 0 247.382 3.469 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038095772 387573455 /nfs/dbraw/zinc/57/34/55/387573455.db2.gz AJDMJMXHAZUFLC-CZUORRHYSA-N 1 0 247.382 3.469 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]CC[C@H]2CCCO2)cc1 ZINC000038095773 387572319 /nfs/dbraw/zinc/57/23/19/387572319.db2.gz AJDMJMXHAZUFLC-XJKSGUPXSA-N 1 0 247.382 3.469 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@@H]1CCCO1 ZINC000038095775 538965369 /nfs/dbraw/zinc/96/53/69/538965369.db2.gz UFQLCOMKKDRWIN-MJBXVCDLSA-N 1 0 227.392 3.360 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@@H]1CCCO1 ZINC000038095777 538965184 /nfs/dbraw/zinc/96/51/84/538965184.db2.gz UFQLCOMKKDRWIN-IHRRRGAJSA-N 1 0 227.392 3.360 10 0 BGAERO c1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038095828 538965061 /nfs/dbraw/zinc/96/50/61/538965061.db2.gz XDCRIQOXCYDDMR-HOCLYGCPSA-N 1 0 245.366 3.223 10 0 BGAERO c1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@@H]1CCCO1 ZINC000038095829 538965081 /nfs/dbraw/zinc/96/50/81/538965081.db2.gz XDCRIQOXCYDDMR-GOEBONIOSA-N 1 0 245.366 3.223 10 0 BGAERO CCCCC[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038095894 712807964 /nfs/dbraw/zinc/80/79/64/712807964.db2.gz GKIVRMYYBGFDTQ-OLZOCXBDSA-N 1 0 213.365 3.114 10 0 BGAERO CCCCC[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000038095895 712807965 /nfs/dbraw/zinc/80/79/65/712807965.db2.gz GKIVRMYYBGFDTQ-STQMWFEESA-N 1 0 213.365 3.114 10 0 BGAERO CC[C@H]([NH2+]CC[C@@H]1CCCO1)c1cccs1 ZINC000038095898 358483027 /nfs/dbraw/zinc/48/30/27/358483027.db2.gz ZLNULBMGHWJONX-RYUDHWBXSA-N 1 0 239.384 3.358 10 0 BGAERO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1cccs1 ZINC000038095899 387572527 /nfs/dbraw/zinc/57/25/27/387572527.db2.gz ZLNULBMGHWJONX-NWDGAFQWSA-N 1 0 239.384 3.358 10 0 BGAERO c1ccc(C2CC([NH2+]CC[C@@H]3CCCO3)C2)cc1 ZINC000038096123 183390359 /nfs/dbraw/zinc/39/03/59/183390359.db2.gz JUBVHTKUHKQSJO-GPANFISMSA-N 1 0 245.366 3.091 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096289 358482823 /nfs/dbraw/zinc/48/28/23/358482823.db2.gz RAXXTXTWIGINJN-HIFRSBDPSA-N 1 0 233.355 3.215 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCO2)c1 ZINC000038096290 179196614 /nfs/dbraw/zinc/19/66/14/179196614.db2.gz RAXXTXTWIGINJN-ZFWWWQNUSA-N 1 0 233.355 3.215 10 0 BGAERO Cc1cc([C@H]([NH3+])Cc2ccccc2)c(C)o1 ZINC000038127131 178262456 /nfs/dbraw/zinc/26/24/56/178262456.db2.gz PAXHQQQLLPBXFN-CQSZACIVSA-N 1 0 215.296 3.139 10 0 BGAERO Cc1cc([C@@H]([NH3+])Cc2ccccc2)c(C)o1 ZINC000038127132 178238193 /nfs/dbraw/zinc/23/81/93/178238193.db2.gz PAXHQQQLLPBXFN-AWEZNQCLSA-N 1 0 215.296 3.139 10 0 BGAERO CCCC[C@H]([NH3+])Cc1ccccc1Cl ZINC000038127375 357589441 /nfs/dbraw/zinc/58/94/41/357589441.db2.gz FEELNQLFCILAIN-NSHDSACASA-N 1 0 211.736 3.400 10 0 BGAERO CCCC[C@@H]([NH3+])Cc1ccccc1Cl ZINC000038127376 350307863 /nfs/dbraw/zinc/30/78/63/350307863.db2.gz FEELNQLFCILAIN-LLVKDONJSA-N 1 0 211.736 3.400 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1Cl)C1CCC1 ZINC000038127395 350307866 /nfs/dbraw/zinc/30/78/66/350307866.db2.gz XFMHKAMDCPXBBV-LBPRGKRZSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H](Cc1ccccc1Cl)C1CCC1 ZINC000038127396 350307851 /nfs/dbraw/zinc/30/78/51/350307851.db2.gz XFMHKAMDCPXBBV-GFCCVEGCSA-N 1 0 209.720 3.010 10 0 BGAERO Cc1cccc([C@H]([NH3+])Cc2ccsc2)c1 ZINC000038127497 343143336 /nfs/dbraw/zinc/14/33/36/343143336.db2.gz JZKQFXZVNCSKJF-CYBMUJFWSA-N 1 0 217.337 3.299 10 0 BGAERO Cc1cccc([C@@H]([NH3+])Cc2ccsc2)c1 ZINC000038127498 343143501 /nfs/dbraw/zinc/14/35/01/343143501.db2.gz JZKQFXZVNCSKJF-ZDUSSCGKSA-N 1 0 217.337 3.299 10 0 BGAERO [NH3+][C@H](Cc1ccsc1)c1ccccc1F ZINC000038127517 181628994 /nfs/dbraw/zinc/62/89/94/181628994.db2.gz DVGJCHBZMNIRPL-GFCCVEGCSA-N 1 0 221.300 3.130 10 0 BGAERO [NH3+][C@@H](Cc1ccsc1)C1CCCCC1 ZINC000038127523 350307816 /nfs/dbraw/zinc/30/78/16/350307816.db2.gz SSYIRFVBGSPNQC-LBPRGKRZSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@H](Cc1ccsc1)C1CCCCC1 ZINC000038127524 350307837 /nfs/dbraw/zinc/30/78/37/350307837.db2.gz SSYIRFVBGSPNQC-GFCCVEGCSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@H](Cc1ccsc1)c1cccs1 ZINC000038127673 350307903 /nfs/dbraw/zinc/30/79/03/350307903.db2.gz FEYUOTGPKAGPLB-SECBINFHSA-N 1 0 209.339 3.052 10 0 BGAERO [NH3+][C@@H](Cc1ccsc1)c1cccs1 ZINC000038127674 350307926 /nfs/dbraw/zinc/30/79/26/350307926.db2.gz FEYUOTGPKAGPLB-VIFPVBQESA-N 1 0 209.339 3.052 10 0 BGAERO Cc1cc([C@H]([NH3+])Cc2ccsc2)c(C)o1 ZINC000038127681 178263042 /nfs/dbraw/zinc/26/30/42/178263042.db2.gz AIZMIKTXPJPQJT-GFCCVEGCSA-N 1 0 221.325 3.200 10 0 BGAERO Cc1cc([C@@H]([NH3+])Cc2ccsc2)c(C)o1 ZINC000038127682 178238201 /nfs/dbraw/zinc/23/82/01/178238201.db2.gz AIZMIKTXPJPQJT-LBPRGKRZSA-N 1 0 221.325 3.200 10 0 BGAERO Cc1ccsc1[C@H]([NH3+])Cc1ccsc1 ZINC000038127689 179555976 /nfs/dbraw/zinc/55/59/76/179555976.db2.gz NNSSDFMCVAHRBV-SNVBAGLBSA-N 1 0 223.366 3.361 10 0 BGAERO Cc1ccsc1[C@@H]([NH3+])Cc1ccsc1 ZINC000038127690 350307861 /nfs/dbraw/zinc/30/78/61/350307861.db2.gz NNSSDFMCVAHRBV-JTQLQIEISA-N 1 0 223.366 3.361 10 0 BGAERO [NH3+][C@@H](Cc1ccsc1)c1ccsc1 ZINC000038127695 350307743 /nfs/dbraw/zinc/30/77/43/350307743.db2.gz NABPADLJDAZUSV-JTQLQIEISA-N 1 0 209.339 3.052 10 0 BGAERO [NH3+][C@H](Cc1ccsc1)c1ccsc1 ZINC000038127696 350308054 /nfs/dbraw/zinc/30/80/54/350308054.db2.gz NABPADLJDAZUSV-SNVBAGLBSA-N 1 0 209.339 3.052 10 0 BGAERO [NH3+][C@H](Cc1c(F)cccc1Cl)c1ccoc1 ZINC000038127986 181623626 /nfs/dbraw/zinc/62/36/26/181623626.db2.gz ZKIKOXZJTIDKGT-GFCCVEGCSA-N 1 0 239.677 3.315 10 0 BGAERO [NH3+][C@@H](Cc1cccs1)C1CCCCC1 ZINC000038128513 350307714 /nfs/dbraw/zinc/30/77/14/350307714.db2.gz OJWPFPRLWJEAGS-LBPRGKRZSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@H](Cc1cccs1)C1CCCCC1 ZINC000038128514 350307855 /nfs/dbraw/zinc/30/78/55/350307855.db2.gz OJWPFPRLWJEAGS-GFCCVEGCSA-N 1 0 209.358 3.198 10 0 BGAERO Cc1cc([C@H]([NH3+])Cc2cccs2)c(C)o1 ZINC000038128643 178262587 /nfs/dbraw/zinc/26/25/87/178262587.db2.gz GYJNTTIAGQSIPO-GFCCVEGCSA-N 1 0 221.325 3.200 10 0 BGAERO Cc1cc([C@@H]([NH3+])Cc2cccs2)c(C)o1 ZINC000038128644 178237054 /nfs/dbraw/zinc/23/70/54/178237054.db2.gz GYJNTTIAGQSIPO-LBPRGKRZSA-N 1 0 221.325 3.200 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2cccs2)s1 ZINC000038128649 350307821 /nfs/dbraw/zinc/30/78/21/350307821.db2.gz RSNPOBXTXCNZLY-SNVBAGLBSA-N 1 0 223.366 3.361 10 0 BGAERO Cc1ccc([C@@H]([NH3+])Cc2cccs2)s1 ZINC000038128650 386123867 /nfs/dbraw/zinc/12/38/67/386123867.db2.gz RSNPOBXTXCNZLY-JTQLQIEISA-N 1 0 223.366 3.361 10 0 BGAERO [NH3+][C@@H](Cc1cccs1)c1ccsc1 ZINC000038128655 350308732 /nfs/dbraw/zinc/30/87/32/350308732.db2.gz XRXDRPNJNLOGEC-JTQLQIEISA-N 1 0 209.339 3.052 10 0 BGAERO [NH3+][C@H](Cc1cccs1)c1ccsc1 ZINC000038128656 181627513 /nfs/dbraw/zinc/62/75/13/181627513.db2.gz XRXDRPNJNLOGEC-SNVBAGLBSA-N 1 0 209.339 3.052 10 0 BGAERO COc1ccc(C[C@H]([NH3+])C2CCCCC2)cc1 ZINC000038128723 175117247 /nfs/dbraw/zinc/11/72/47/175117247.db2.gz JBXOZQHNZOVTIE-HNNXBMFYSA-N 1 0 233.355 3.145 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])C2CCCCC2)cc1 ZINC000038128724 175115792 /nfs/dbraw/zinc/11/57/92/175115792.db2.gz JBXOZQHNZOVTIE-OAHLLOKOSA-N 1 0 233.355 3.145 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])c2sccc2C)cc1 ZINC000038128841 175115552 /nfs/dbraw/zinc/11/55/52/175115552.db2.gz TXRYAPNOSXDWJL-CYBMUJFWSA-N 1 0 247.363 3.308 10 0 BGAERO COc1ccc(C[C@H]([NH3+])c2sccc2C)cc1 ZINC000038128842 175117395 /nfs/dbraw/zinc/11/73/95/175117395.db2.gz TXRYAPNOSXDWJL-ZDUSSCGKSA-N 1 0 247.363 3.308 10 0 BGAERO Cc1cc([C@H]([NH3+])Cc2ccc(F)cc2)c(C)o1 ZINC000038129209 178262341 /nfs/dbraw/zinc/26/23/41/178262341.db2.gz BCXIETAMXIKCJT-CQSZACIVSA-N 1 0 233.286 3.278 10 0 BGAERO Cc1cc([C@@H]([NH3+])Cc2ccc(F)cc2)c(C)o1 ZINC000038129210 178237595 /nfs/dbraw/zinc/23/75/95/178237595.db2.gz BCXIETAMXIKCJT-AWEZNQCLSA-N 1 0 233.286 3.278 10 0 BGAERO CCCC[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000038129285 350308301 /nfs/dbraw/zinc/30/83/01/350308301.db2.gz GOBWYAGPQOTSIX-LBPRGKRZSA-N 1 0 211.736 3.400 10 0 BGAERO CCCC[C@@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000038129286 350308230 /nfs/dbraw/zinc/30/82/30/350308230.db2.gz GOBWYAGPQOTSIX-GFCCVEGCSA-N 1 0 211.736 3.400 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)C1CCC1 ZINC000038129305 350308423 /nfs/dbraw/zinc/30/84/23/350308423.db2.gz XFXBKKXFXGYYKJ-LBPRGKRZSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H](Cc1ccc(Cl)cc1)C1CCC1 ZINC000038129306 350308808 /nfs/dbraw/zinc/30/88/08/350308808.db2.gz XFXBKKXFXGYYKJ-GFCCVEGCSA-N 1 0 209.720 3.010 10 0 BGAERO Cc1occc1[C@H]([NH3+])Cc1ccc(Cl)cc1 ZINC000038129337 180544855 /nfs/dbraw/zinc/54/48/55/180544855.db2.gz OZMSBEABDAEUKF-CYBMUJFWSA-N 1 0 235.714 3.484 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)cc1)c1ccoc1 ZINC000038129351 181554127 /nfs/dbraw/zinc/55/41/27/181554127.db2.gz MEANFCBFELHFCP-LBPRGKRZSA-N 1 0 221.687 3.176 10 0 BGAERO COc1cccc(C[C@@H]([NH3+])c2sccc2C)c1 ZINC000038129523 175271444 /nfs/dbraw/zinc/27/14/44/175271444.db2.gz UDTKLEXLDOUDOR-CYBMUJFWSA-N 1 0 247.363 3.308 10 0 BGAERO COc1cccc(C[C@H]([NH3+])c2sccc2C)c1 ZINC000038129524 175272701 /nfs/dbraw/zinc/27/27/01/175272701.db2.gz UDTKLEXLDOUDOR-ZDUSSCGKSA-N 1 0 247.363 3.308 10 0 BGAERO COc1ccccc1C[C@@H]([NH3+])c1cc(C)oc1C ZINC000038129697 175333221 /nfs/dbraw/zinc/33/32/21/175333221.db2.gz KFXCPCDWECSJDY-CQSZACIVSA-N 1 0 245.322 3.148 10 0 BGAERO COc1ccccc1C[C@H]([NH3+])c1cc(C)oc1C ZINC000038129698 175334045 /nfs/dbraw/zinc/33/40/45/175334045.db2.gz KFXCPCDWECSJDY-AWEZNQCLSA-N 1 0 245.322 3.148 10 0 BGAERO COc1ccccc1C[C@@H]([NH3+])c1sccc1C ZINC000038129703 175333124 /nfs/dbraw/zinc/33/31/24/175333124.db2.gz FPOORQRSCXGWIZ-GFCCVEGCSA-N 1 0 247.363 3.308 10 0 BGAERO COc1ccccc1C[C@H]([NH3+])c1sccc1C ZINC000038129704 175334209 /nfs/dbraw/zinc/33/42/09/175334209.db2.gz FPOORQRSCXGWIZ-LBPRGKRZSA-N 1 0 247.363 3.308 10 0 BGAERO Cc1cc([C@H]([NH3+])Cc2cccc(F)c2)c(C)o1 ZINC000038129865 178262189 /nfs/dbraw/zinc/26/21/89/178262189.db2.gz VKEBJPUKSQWQBQ-CQSZACIVSA-N 1 0 233.286 3.278 10 0 BGAERO Cc1cc([C@@H]([NH3+])Cc2cccc(F)c2)c(C)o1 ZINC000038129866 178237480 /nfs/dbraw/zinc/23/74/80/178237480.db2.gz VKEBJPUKSQWQBQ-AWEZNQCLSA-N 1 0 233.286 3.278 10 0 BGAERO Cc1cc([C@H]([NH3+])Cc2ccccc2F)c(C)o1 ZINC000038130023 178262858 /nfs/dbraw/zinc/26/28/58/178262858.db2.gz ZTBFCVMPZFJSQP-CQSZACIVSA-N 1 0 233.286 3.278 10 0 BGAERO Cc1cc([C@@H]([NH3+])Cc2ccccc2F)c(C)o1 ZINC000038130024 178237295 /nfs/dbraw/zinc/23/72/95/178237295.db2.gz ZTBFCVMPZFJSQP-AWEZNQCLSA-N 1 0 233.286 3.278 10 0 BGAERO Cc1occc1[C@@H]([NH3+])Cc1ccccc1C ZINC000038130167 179291863 /nfs/dbraw/zinc/29/18/63/179291863.db2.gz YXQXLHXLCXPDBK-AWEZNQCLSA-N 1 0 215.296 3.139 10 0 BGAERO Cc1cc([C@@H]([NH3+])Cc2ccccc2C)c(C)o1 ZINC000038130173 178238211 /nfs/dbraw/zinc/23/82/11/178238211.db2.gz GGEXYVHHZCYPEE-HNNXBMFYSA-N 1 0 229.323 3.447 10 0 BGAERO Cc1cc([C@H]([NH3+])Cc2ccccc2C)c(C)o1 ZINC000038130174 178262247 /nfs/dbraw/zinc/26/22/47/178262247.db2.gz GGEXYVHHZCYPEE-OAHLLOKOSA-N 1 0 229.323 3.447 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1Cl)c1ccco1 ZINC000038130591 358115644 /nfs/dbraw/zinc/11/56/44/358115644.db2.gz SPOHYHOXDVWZAL-LBPRGKRZSA-N 1 0 235.714 3.436 10 0 BGAERO C[NH2+][C@H](Cc1ccccc1Cl)c1ccco1 ZINC000038130592 358115659 /nfs/dbraw/zinc/11/56/59/358115659.db2.gz SPOHYHOXDVWZAL-GFCCVEGCSA-N 1 0 235.714 3.436 10 0 BGAERO C[NH2+][C@@H](Cc1ccsc1)c1cccs1 ZINC000038130895 173426876 /nfs/dbraw/zinc/42/68/76/173426876.db2.gz ACHZOYBGYZQANQ-JTQLQIEISA-N 1 0 223.366 3.313 10 0 BGAERO C[NH2+][C@H](Cc1ccsc1)c1ccsc1 ZINC000038130918 173455141 /nfs/dbraw/zinc/45/51/41/173455141.db2.gz WZOHAMIQMAAVLO-LLVKDONJSA-N 1 0 223.366 3.313 10 0 BGAERO C[NH2+][C@H](Cc1ccsc1)c1ccc(C)o1 ZINC000038130919 173455070 /nfs/dbraw/zinc/45/50/70/173455070.db2.gz ZKSWVMCLDIHAEC-LLVKDONJSA-N 1 0 221.325 3.153 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)C1CCCCC1 ZINC000038133225 173425592 /nfs/dbraw/zinc/42/55/92/173425592.db2.gz XUCDPDPEYBJDCU-INIZCTEOSA-N 1 0 247.382 3.406 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(OC)cc1)C1CCCC1 ZINC000038133281 173426126 /nfs/dbraw/zinc/42/61/26/173426126.db2.gz OMTDKLIFEZEMFR-HNNXBMFYSA-N 1 0 233.355 3.016 10 0 BGAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)C1CCCC1 ZINC000038133441 170146124 /nfs/dbraw/zinc/14/61/24/170146124.db2.gz CZJULVZTGVHCDD-INIZCTEOSA-N 1 0 247.382 3.406 10 0 BGAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)C1CCCC1 ZINC000038133442 170162241 /nfs/dbraw/zinc/16/22/41/170162241.db2.gz CZJULVZTGVHCDD-MRXNPFEDSA-N 1 0 247.382 3.406 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccc(OC)cc1)C(C)C ZINC000038133511 169279453 /nfs/dbraw/zinc/27/94/53/169279453.db2.gz GKUQUSYMFQZTFQ-HNNXBMFYSA-N 1 0 235.371 3.262 10 0 BGAERO CCC[NH2+][C@H](Cc1ccc(OC)cc1)C(C)C ZINC000038133512 169289847 /nfs/dbraw/zinc/28/98/47/169289847.db2.gz GKUQUSYMFQZTFQ-OAHLLOKOSA-N 1 0 235.371 3.262 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccco1 ZINC000038134367 358115603 /nfs/dbraw/zinc/11/56/03/358115603.db2.gz JYPNPDKVEDDMBE-LBPRGKRZSA-N 1 0 235.714 3.436 10 0 BGAERO C[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccco1 ZINC000038134368 358115924 /nfs/dbraw/zinc/11/59/24/358115924.db2.gz JYPNPDKVEDDMBE-GFCCVEGCSA-N 1 0 235.714 3.436 10 0 BGAERO CC[NH2+][C@@H](Cc1cccc(OC)c1)C(C)(C)C ZINC000038134717 170146454 /nfs/dbraw/zinc/14/64/54/170146454.db2.gz KAZWMAQZQDAHAB-AWEZNQCLSA-N 1 0 235.371 3.262 10 0 BGAERO CC[NH2+][C@H](Cc1cccc(OC)c1)C(C)(C)C ZINC000038134718 170162456 /nfs/dbraw/zinc/16/24/56/170162456.db2.gz KAZWMAQZQDAHAB-CQSZACIVSA-N 1 0 235.371 3.262 10 0 BGAERO CCC[NH2+][C@@H](CCC)Cc1cccc(OC)c1 ZINC000038134807 169278521 /nfs/dbraw/zinc/27/85/21/169278521.db2.gz OGCGYALLXIFWFJ-AWEZNQCLSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+][C@H](CCC)Cc1cccc(OC)c1 ZINC000038134808 169289517 /nfs/dbraw/zinc/28/95/17/169289517.db2.gz OGCGYALLXIFWFJ-CQSZACIVSA-N 1 0 235.371 3.406 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1OC)c1ccc(C)o1 ZINC000038135018 173425584 /nfs/dbraw/zinc/42/55/84/173425584.db2.gz XJKNMPWPUIMWHV-ZDUSSCGKSA-N 1 0 245.322 3.100 10 0 BGAERO CCCC[C@H](Cc1ccccc1OC)[NH2+]CC ZINC000038135102 169006190 /nfs/dbraw/zinc/00/61/90/169006190.db2.gz VFSRVIGDASFVNG-CQSZACIVSA-N 1 0 235.371 3.406 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1C)c1ccco1 ZINC000038135981 358116588 /nfs/dbraw/zinc/11/65/88/358116588.db2.gz BJYLBKIOSJUZAZ-ZDUSSCGKSA-N 1 0 215.296 3.091 10 0 BGAERO C[NH2+][C@H](Cc1ccccc1C)c1ccco1 ZINC000038135982 358116695 /nfs/dbraw/zinc/11/66/95/358116695.db2.gz BJYLBKIOSJUZAZ-CYBMUJFWSA-N 1 0 215.296 3.091 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(C)cc1)c1ccco1 ZINC000038136223 358116516 /nfs/dbraw/zinc/11/65/16/358116516.db2.gz HOMJGXNXZBQTGP-ZDUSSCGKSA-N 1 0 215.296 3.091 10 0 BGAERO C[NH2+][C@H](Cc1ccc(C)cc1)c1ccco1 ZINC000038136224 358116738 /nfs/dbraw/zinc/11/67/38/358116738.db2.gz HOMJGXNXZBQTGP-CYBMUJFWSA-N 1 0 215.296 3.091 10 0 BGAERO CCC[NH2+][C@@H](CCOCC)Cc1ccc(C)cc1 ZINC000038136347 169277922 /nfs/dbraw/zinc/27/79/22/169277922.db2.gz HGSMLXNECHXNOZ-INIZCTEOSA-N 1 0 249.398 3.332 10 0 BGAERO CCC[NH2+][C@H](CCOCC)Cc1ccc(C)cc1 ZINC000038136348 169289486 /nfs/dbraw/zinc/28/94/86/169289486.db2.gz HGSMLXNECHXNOZ-MRXNPFEDSA-N 1 0 249.398 3.332 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccc1)c1ccc(C)o1 ZINC000038136597 170146384 /nfs/dbraw/zinc/14/63/84/170146384.db2.gz XNMZNOBEMATINC-AWEZNQCLSA-N 1 0 229.323 3.481 10 0 BGAERO CC[NH2+][C@H](Cc1ccccc1)c1ccc(C)o1 ZINC000038136598 170162506 /nfs/dbraw/zinc/16/25/06/170162506.db2.gz XNMZNOBEMATINC-CQSZACIVSA-N 1 0 229.323 3.481 10 0 BGAERO CCC[NH2+][C@@H](CCOCC)Cc1ccccc1 ZINC000038136677 169278492 /nfs/dbraw/zinc/27/84/92/169278492.db2.gz CVUWZDJUGVTTPB-HNNXBMFYSA-N 1 0 235.371 3.024 10 0 BGAERO CCC[NH2+][C@H](CCOCC)Cc1ccccc1 ZINC000038136678 169289283 /nfs/dbraw/zinc/28/92/83/169289283.db2.gz CVUWZDJUGVTTPB-OAHLLOKOSA-N 1 0 235.371 3.024 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000038235078 181574679 /nfs/dbraw/zinc/57/46/79/181574679.db2.gz OJKRKVFERUHTQM-VXGBXAGGSA-N 1 0 209.720 3.325 10 0 BGAERO C[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1C(=O)CCC2 ZINC000038247263 368325655 /nfs/dbraw/zinc/32/56/55/368325655.db2.gz NEGVTFZDBOCVIM-SNPRPXQTSA-N 1 0 243.350 3.334 10 0 BGAERO Cc1ccccc1C[C@H]1[NH2+]CCc2ccccc21 ZINC000038255049 179291888 /nfs/dbraw/zinc/29/18/88/179291888.db2.gz GRMICLNWSXHBEE-QGZVFWFLSA-N 1 0 237.346 3.425 10 0 BGAERO Cc1ccccc1C[C@@H]1[NH2+]CCc2ccccc21 ZINC000038255051 179289949 /nfs/dbraw/zinc/28/99/49/179289949.db2.gz GRMICLNWSXHBEE-KRWDZBQOSA-N 1 0 237.346 3.425 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCC=CCC[C@H]1O)c1ccccc1 ZINC000038276766 347162219 /nfs/dbraw/zinc/16/22/19/347162219.db2.gz QYTZBFOLNQADRN-FVQBIDKESA-N 1 0 245.366 3.197 10 0 BGAERO [NH3+][C@@H](COCc1cccc(F)c1)c1ccccc1 ZINC000038313809 368324998 /nfs/dbraw/zinc/32/49/98/368324998.db2.gz OIQGCKFJRVLMQF-HNNXBMFYSA-N 1 0 245.297 3.042 10 0 BGAERO c1ccc([C@@H]2C[NH2+]Cc3c4ccccc4[nH]c32)cc1 ZINC000038327950 368326638 /nfs/dbraw/zinc/32/66/38/368326638.db2.gz KWQQVHVIAOQXQV-AWEZNQCLSA-N 1 0 248.329 3.403 10 0 BGAERO c1ccc([C@H]2C[NH2+]Cc3c4ccccc4[nH]c32)cc1 ZINC000038327951 368325505 /nfs/dbraw/zinc/32/55/05/368325505.db2.gz KWQQVHVIAOQXQV-CQSZACIVSA-N 1 0 248.329 3.403 10 0 BGAERO [NH3+][C@@H]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000038435828 358152155 /nfs/dbraw/zinc/15/21/55/358152155.db2.gz QUVPWXZNLHXAIF-HZPDHXFCSA-N 1 0 223.319 3.092 10 0 BGAERO [NH3+][C@H](c1cc2ccccc2[nH]1)c1ccccc1 ZINC000038524527 343375884 /nfs/dbraw/zinc/37/58/84/343375884.db2.gz MPSXSZHOEXCAQD-HNNXBMFYSA-N 1 0 222.291 3.216 10 0 BGAERO [NH3+][C@@H](c1cc2ccccc2[nH]1)c1ccccc1 ZINC000038524528 343375943 /nfs/dbraw/zinc/37/59/43/343375943.db2.gz MPSXSZHOEXCAQD-OAHLLOKOSA-N 1 0 222.291 3.216 10 0 BGAERO Cc1ccc2c(CC[NH3+])csc2c1C ZINC000038548994 346809806 /nfs/dbraw/zinc/80/98/06/346809806.db2.gz ZGAZETXMWQVSCL-UHFFFAOYSA-N 1 0 205.326 3.019 10 0 BGAERO Cc1cc(C)c(Nc2cc[nH+]cc2N)c(C)c1 ZINC000038549210 385472653 /nfs/dbraw/zinc/47/26/53/385472653.db2.gz FRQBIPVHXYCNHO-UHFFFAOYSA-N 1 0 227.311 3.333 10 0 BGAERO CCc1cccc(C)c1Nc1cc[nH+]cc1N ZINC000038549212 385473305 /nfs/dbraw/zinc/47/33/05/385473305.db2.gz YUBDBLMEGIRZLL-UHFFFAOYSA-N 1 0 227.311 3.278 10 0 BGAERO Cc1cccc(C)c1Nc1cc[nH+]cc1N ZINC000038549213 179045559 /nfs/dbraw/zinc/04/55/59/179045559.db2.gz FNCPOIZCILGSBK-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO CCCc1ccccc1Nc1cc[nH+]cc1N ZINC000038549221 346810316 /nfs/dbraw/zinc/81/03/16/346810316.db2.gz RBGWCCYJLJRYRO-UHFFFAOYSA-N 1 0 227.311 3.360 10 0 BGAERO CC[C@]1(c2cccc(OC)c2)CCCC[N@H+](C)C1 ZINC000038612003 343378127 /nfs/dbraw/zinc/37/81/27/343378127.db2.gz MJHKYIKIHNDTBK-INIZCTEOSA-N 1 0 247.382 3.459 10 0 BGAERO CC[C@@]1(c2cccc(OC)c2)CCCC[N@H+](C)C1 ZINC000038612004 171216662 /nfs/dbraw/zinc/21/66/62/171216662.db2.gz MJHKYIKIHNDTBK-MRXNPFEDSA-N 1 0 247.382 3.459 10 0 BGAERO Cc1cc[n+](CCNc2ccccc2Cl)cc1 ZINC000038635787 178308447 /nfs/dbraw/zinc/30/84/47/178308447.db2.gz LCAJNHBHMKZUDO-UHFFFAOYSA-N 1 0 247.749 3.048 10 0 BGAERO Cc1sc[n+](Cc2ccccc2Cl)c1C ZINC000038647513 180560369 /nfs/dbraw/zinc/56/03/69/180560369.db2.gz UCNGOCZYDJMIFS-UHFFFAOYSA-N 1 0 238.763 3.354 10 0 BGAERO Cc1cccc(C[NH2+][C@@H](C)Cc2ccccc2)n1 ZINC000038656182 179095553 /nfs/dbraw/zinc/09/55/53/179095553.db2.gz DDVIFPMDYGUUIH-AWEZNQCLSA-N 1 0 240.350 3.111 10 0 BGAERO Cc1cccc(C[NH2+][C@H](C)Cc2ccccc2)n1 ZINC000038656184 179099699 /nfs/dbraw/zinc/09/96/99/179099699.db2.gz DDVIFPMDYGUUIH-CQSZACIVSA-N 1 0 240.350 3.111 10 0 BGAERO C[NH+](C)CCC(=O)c1cc(Cl)ccc1Cl ZINC000038676142 344141612 /nfs/dbraw/zinc/14/16/12/344141612.db2.gz IUPUAZXDHJVUSF-UHFFFAOYSA-N 1 0 246.137 3.128 10 0 BGAERO CO/C=C\C1CC[NH+](Cc2ccccc2)CC1 ZINC000038764180 368327553 /nfs/dbraw/zinc/32/75/53/368327553.db2.gz GHUOIKGCIDFVBU-XFXZXTDPSA-N 1 0 231.339 3.059 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)c1ccccc1C ZINC000038785084 169151402 /nfs/dbraw/zinc/15/14/02/169151402.db2.gz FYGNZGPFVKSVEB-HNNXBMFYSA-N 1 0 234.387 3.117 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)c1ccccc1C ZINC000038785085 169153001 /nfs/dbraw/zinc/15/30/01/169153001.db2.gz FYGNZGPFVKSVEB-OAHLLOKOSA-N 1 0 234.387 3.117 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)c1cccc(C)c1 ZINC000038808861 169150612 /nfs/dbraw/zinc/15/06/12/169150612.db2.gz VEYIGMPXATWRAI-HNNXBMFYSA-N 1 0 234.387 3.117 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)c1cccc(C)c1 ZINC000038808863 372773605 /nfs/dbraw/zinc/77/36/05/372773605.db2.gz VEYIGMPXATWRAI-OAHLLOKOSA-N 1 0 234.387 3.117 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(C)cc1 ZINC000038808871 169150458 /nfs/dbraw/zinc/15/04/58/169150458.db2.gz YHWXAZAEWUZYTC-HNNXBMFYSA-N 1 0 234.387 3.117 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)c1ccc(C)cc1 ZINC000038808874 169152372 /nfs/dbraw/zinc/15/23/72/169152372.db2.gz YHWXAZAEWUZYTC-OAHLLOKOSA-N 1 0 234.387 3.117 10 0 BGAERO c1ccc(-[n+]2ccc(-c3ccncc3)cc2)cc1 ZINC000038853624 183378296 /nfs/dbraw/zinc/37/82/96/183378296.db2.gz FWMMSEJKDWKWAU-UHFFFAOYSA-N 1 0 233.294 3.025 10 0 BGAERO c1cc2c(cccc2C2CC[NH2+]CC2)s1 ZINC000038854343 358201096 /nfs/dbraw/zinc/20/10/96/358201096.db2.gz PMEOBWNILIPZFJ-UHFFFAOYSA-N 1 0 217.337 3.368 10 0 BGAERO c1ccc(-n2c3ccccc3c3c2CC[NH2+]C3)cc1 ZINC000038890041 347170338 /nfs/dbraw/zinc/17/03/38/347170338.db2.gz FNLAGWLGSBRYGG-UHFFFAOYSA-N 1 0 248.329 3.276 10 0 BGAERO c1ccc([C@@H]2N=CNc3ccccc32)cc1 ZINC000038891771 384097267 /nfs/dbraw/zinc/09/72/67/384097267.db2.gz ZYRBCSVZLSZKAH-AWEZNQCLSA-N 1 0 208.264 3.230 10 0 BGAERO Cc1cccc(N(CC[NH3+])c2ccccc2)c1 ZINC000038918013 368328085 /nfs/dbraw/zinc/32/80/85/368328085.db2.gz HLDVVJSMNSIHGT-UHFFFAOYSA-N 1 0 226.323 3.092 10 0 BGAERO COc1ccc2c(c1)CC[NH+]=C2c1ccccc1 ZINC000038918715 347170413 /nfs/dbraw/zinc/17/04/13/347170413.db2.gz DNWMWQTXKFNVHX-UHFFFAOYSA-N 1 0 237.302 3.089 10 0 BGAERO CC1(C)COP([NH2+]C2CCCCC2)OC1 ZINC000038976615 167974139 /nfs/dbraw/zinc/97/41/39/167974139.db2.gz KZRONBCLDNTLGP-UHFFFAOYSA-N 1 0 231.276 3.209 10 0 BGAERO C=C1c2ccccc2C[C@H]([NH3+])c2ccccc21 ZINC000038997646 368329266 /nfs/dbraw/zinc/32/92/66/368329266.db2.gz HIGSGEHABIRCMT-INIZCTEOSA-N 1 0 221.303 3.304 10 0 BGAERO C=C1c2ccccc2C[C@@H]([NH3+])c2ccccc21 ZINC000038997647 368328497 /nfs/dbraw/zinc/32/84/97/368328497.db2.gz HIGSGEHABIRCMT-MRXNPFEDSA-N 1 0 221.303 3.304 10 0 BGAERO Oc1ccc(CCC[NH2+]Cc2ccccc2)cc1 ZINC000038998633 183269288 /nfs/dbraw/zinc/26/92/88/183269288.db2.gz CBQMOQUMTAPTNV-UHFFFAOYSA-N 1 0 241.334 3.115 10 0 BGAERO Clc1cccc(SC[C@@H]2CC[NH2+]C2)c1 ZINC000039019734 180592226 /nfs/dbraw/zinc/59/22/26/180592226.db2.gz PKJSGPQVRJLZRM-SECBINFHSA-N 1 0 227.760 3.042 10 0 BGAERO Clc1cccc(SC[C@H]2CC[NH2+]C2)c1 ZINC000039019735 344279139 /nfs/dbraw/zinc/27/91/39/344279139.db2.gz PKJSGPQVRJLZRM-VIFPVBQESA-N 1 0 227.760 3.042 10 0 BGAERO CCCCCc1ccccc1C1=[NH+]CCCN1 ZINC000039019933 347175178 /nfs/dbraw/zinc/17/51/78/347175178.db2.gz VDXCVTDCLIIZEH-UHFFFAOYSA-N 1 0 230.355 3.159 10 0 BGAERO [NH2+]=C(NC1CCCCC1)C1CCCCC1 ZINC000039039736 343112714 /nfs/dbraw/zinc/11/27/14/343112714.db2.gz UUBUUJBIUDDWPL-UHFFFAOYSA-N 1 0 208.349 3.466 10 0 BGAERO COc1ccc([C@@H]2Cc3ccccc3[C@@H]2[NH3+])cc1 ZINC000039042351 347175293 /nfs/dbraw/zinc/17/52/93/347175293.db2.gz UBGKKURYRGISAW-HOTGVXAUSA-N 1 0 239.318 3.035 10 0 BGAERO CCC1=C(c2ccccc2)CC[N@H+](C)C1 ZINC000039100671 343383977 /nfs/dbraw/zinc/38/39/77/343383977.db2.gz PQFFYQWSFAUTPS-UHFFFAOYSA-N 1 0 201.313 3.186 10 0 BGAERO CCc1cccc(C)c1NC(=[NH2+])SC ZINC000039101238 187263543 /nfs/dbraw/zinc/26/35/43/187263543.db2.gz GLEXJTNUEKNXNG-UHFFFAOYSA-N 1 0 208.330 3.267 10 0 BGAERO CCC1(CC)CC(=O)CC(CC)(CC)[NH2+]1 ZINC000039101508 168453802 /nfs/dbraw/zinc/45/38/02/168453802.db2.gz YZTGBPOXSYDGJL-UHFFFAOYSA-N 1 0 211.349 3.057 10 0 BGAERO CC[C@@]1(C[NH3+])C=CC(c2ccccc2)=CC1 ZINC000039101549 171210363 /nfs/dbraw/zinc/21/03/63/171210363.db2.gz QPVDZRSYPJVALQ-OAHLLOKOSA-N 1 0 213.324 3.385 10 0 BGAERO CC[C@]1(C[NH3+])C=CC(c2ccccc2)=CC1 ZINC000039101550 171723025 /nfs/dbraw/zinc/72/30/25/171723025.db2.gz QPVDZRSYPJVALQ-HNNXBMFYSA-N 1 0 213.324 3.385 10 0 BGAERO CC[N@@H+]1CC=C(c2cccc(C)c2)[C@H](C)C1 ZINC000039101800 343383906 /nfs/dbraw/zinc/38/39/06/343383906.db2.gz KZWPSSKTJVURSD-CYBMUJFWSA-N 1 0 215.340 3.350 10 0 BGAERO CC[N@@H+]1CC=C(c2cccc(C)c2)[C@@H](C)C1 ZINC000039101801 343384410 /nfs/dbraw/zinc/38/44/10/343384410.db2.gz KZWPSSKTJVURSD-ZDUSSCGKSA-N 1 0 215.340 3.350 10 0 BGAERO CC[N@@H+]1CCC(c2ccccc2C)=C(C)C1 ZINC000039101802 169957803 /nfs/dbraw/zinc/95/78/03/169957803.db2.gz VPNWMLMJQSALHO-UHFFFAOYSA-N 1 0 215.340 3.494 10 0 BGAERO CC[C@]1(c2ccccc2)CCCC[N@H+](C)C1 ZINC000039101952 343384460 /nfs/dbraw/zinc/38/44/60/343384460.db2.gz HENWCVSKXNYCGD-HNNXBMFYSA-N 1 0 217.356 3.450 10 0 BGAERO CC[C@@]1(c2ccccc2)CCCC[N@H+](C)C1 ZINC000039101953 171215419 /nfs/dbraw/zinc/21/54/19/171215419.db2.gz HENWCVSKXNYCGD-OAHLLOKOSA-N 1 0 217.356 3.450 10 0 BGAERO CCC1=C[C@H](c2ccccc2)SC(=[NH2+])N1 ZINC000039102014 343384497 /nfs/dbraw/zinc/38/44/97/343384497.db2.gz FQROLTRCLDJWIT-LLVKDONJSA-N 1 0 218.325 3.083 10 0 BGAERO CCC1=C[C@@H](c2ccccc2)SC(=[NH2+])N1 ZINC000039102015 168509128 /nfs/dbraw/zinc/50/91/28/168509128.db2.gz FQROLTRCLDJWIT-NSHDSACASA-N 1 0 218.325 3.083 10 0 BGAERO CC[C@H]1C[NH2+]CC[C@H]1CC=C(Cl)Cl ZINC000039102327 343384311 /nfs/dbraw/zinc/38/43/11/343384311.db2.gz MVUJSHBPTCISQJ-DTWKUNHWSA-N 1 0 222.159 3.331 10 0 BGAERO CCc1ccccc1C[C@H]([NH3+])c1ccccc1 ZINC000039102595 384103820 /nfs/dbraw/zinc/10/38/20/384103820.db2.gz MDUMEJLNKRZDIM-INIZCTEOSA-N 1 0 225.335 3.492 10 0 BGAERO CCc1ccccc1C[C@@H]([NH3+])c1ccccc1 ZINC000039102596 171883350 /nfs/dbraw/zinc/88/33/50/171883350.db2.gz MDUMEJLNKRZDIM-MRXNPFEDSA-N 1 0 225.335 3.492 10 0 BGAERO CCC1(CC)CC[C@@H](O)CC(CC)(CC)[NH2+]1 ZINC000039102720 168459419 /nfs/dbraw/zinc/45/94/19/168459419.db2.gz YYWNXMVNHHFBFB-GFCCVEGCSA-N 1 0 227.392 3.238 10 0 BGAERO CCc1ccc2c(c1)[C@H]([NH3+])c1cc(F)ccc1-2 ZINC000039102721 398075012 /nfs/dbraw/zinc/07/50/12/398075012.db2.gz GOBHIWBOJSJNKY-HNNXBMFYSA-N 1 0 227.282 3.417 10 0 BGAERO CCc1ccc2c(c1)[C@@H]([NH3+])c1cc(F)ccc1-2 ZINC000039102722 398075101 /nfs/dbraw/zinc/07/51/01/398075101.db2.gz GOBHIWBOJSJNKY-OAHLLOKOSA-N 1 0 227.282 3.417 10 0 BGAERO CCc1oc(C)cc1C[NH2+]Cc1ccccc1 ZINC000039102838 172111392 /nfs/dbraw/zinc/11/13/92/172111392.db2.gz OPSBAOBMURNMDT-UHFFFAOYSA-N 1 0 229.323 3.440 10 0 BGAERO CC1(C[NH2+]Cc2ccccc2)CC=CC1 ZINC000039105008 168043240 /nfs/dbraw/zinc/04/32/40/168043240.db2.gz WEEWBVZYTGZQMU-UHFFFAOYSA-N 1 0 201.313 3.133 10 0 BGAERO C[NH2+]C1(c2cccc(C)c2)CCCCC1 ZINC000039105189 173322361 /nfs/dbraw/zinc/32/23/61/173322361.db2.gz SAHPEDVLBKEXEG-UHFFFAOYSA-N 1 0 203.329 3.374 10 0 BGAERO Cc1ccc2c(C[C@H](C)[NH3+])csc2c1 ZINC000039105365 178940371 /nfs/dbraw/zinc/94/03/71/178940371.db2.gz JWUYTJUIOHRPBN-VIFPVBQESA-N 1 0 205.326 3.099 10 0 BGAERO Cc1ccc2scc(C[NH+](C)C)c2c1 ZINC000039105399 343384999 /nfs/dbraw/zinc/38/49/99/343384999.db2.gz VLKVVPMSMPNXIY-UHFFFAOYSA-N 1 0 205.326 3.271 10 0 BGAERO CSC(=[NH2+])N(C)c1c(C)cccc1C ZINC000039105706 384106891 /nfs/dbraw/zinc/10/68/91/384106891.db2.gz CYUPWHWSNCNNRW-UHFFFAOYSA-N 1 0 208.330 3.037 10 0 BGAERO C/C=C1\C[N@H+](Cc2ccccc2)CC=C1C ZINC000039109380 188282902 /nfs/dbraw/zinc/28/29/02/188282902.db2.gz UKRLXBNAFJUJBF-CRKCGEKBSA-N 1 0 213.324 3.395 10 0 BGAERO Cc1cccc(C)c1/C=C/[C@@H]1CCCC[NH2+]1 ZINC000039109635 179029190 /nfs/dbraw/zinc/02/91/90/179029190.db2.gz JACCUXPTLOEBMW-HBWSCVEGSA-N 1 0 215.340 3.459 10 0 BGAERO Cc1cccc(C)c1/C=C/[C@@H]1CCC[NH2+]C1 ZINC000039109637 179028572 /nfs/dbraw/zinc/02/85/72/179028572.db2.gz KCDKIDBCSVMJSE-VFNNOXKTSA-N 1 0 215.340 3.316 10 0 BGAERO Cc1cccc(C)c1/C=C/[C@H]1CCC[NH2+]C1 ZINC000039109638 179028877 /nfs/dbraw/zinc/02/88/77/179028877.db2.gz KCDKIDBCSVMJSE-MYSGNRETSA-N 1 0 215.340 3.316 10 0 BGAERO CC1(C)[NH2+][C@@H](C2CC2)C[C@H]1c1ccccc1 ZINC000039109665 188290621 /nfs/dbraw/zinc/29/06/21/188290621.db2.gz KYGIIQYRTTWXAK-UONOGXRCSA-N 1 0 215.340 3.321 10 0 BGAERO CC1(C)[NH2+][C@@H](C2CC2)C[C@@H]1c1ccccc1 ZINC000039109667 343384925 /nfs/dbraw/zinc/38/49/25/343384925.db2.gz KYGIIQYRTTWXAK-ZIAGYGMSSA-N 1 0 215.340 3.321 10 0 BGAERO CC1(C)[NH2+][C@H](C2CC2)C[C@H]1c1ccccc1 ZINC000039109669 188290764 /nfs/dbraw/zinc/29/07/64/188290764.db2.gz KYGIIQYRTTWXAK-KBPBESRZSA-N 1 0 215.340 3.321 10 0 BGAERO CC1(C)[NH2+][C@H](C2CC2)C[C@@H]1c1ccccc1 ZINC000039109670 384106541 /nfs/dbraw/zinc/10/65/41/384106541.db2.gz KYGIIQYRTTWXAK-KGLIPLIRSA-N 1 0 215.340 3.321 10 0 BGAERO CCCNc1cc(C)[nH+]c2c(O)cccc12 ZINC000039109764 169293774 /nfs/dbraw/zinc/29/37/74/169293774.db2.gz KYHAADBLNAGYNN-UHFFFAOYSA-N 1 0 216.284 3.071 10 0 BGAERO C[C@@H]1C[NH2+]Cc2c(Cl)c(Cl)ccc21 ZINC000039109823 176330922 /nfs/dbraw/zinc/33/09/22/176330922.db2.gz VLEWGIJVRLUCFR-ZCFIWIBFSA-N 1 0 216.111 3.200 10 0 BGAERO C[C@H]1C[NH2+]Cc2c(Cl)c(Cl)ccc21 ZINC000039109824 343384833 /nfs/dbraw/zinc/38/48/33/343384833.db2.gz VLEWGIJVRLUCFR-LURJTMIESA-N 1 0 216.111 3.200 10 0 BGAERO CC1=C(C)[C@@H](c2ccccc2)SC(=[NH2+])N1 ZINC000039109980 168086549 /nfs/dbraw/zinc/08/65/49/168086549.db2.gz WPADTOCKLULLOJ-NSHDSACASA-N 1 0 218.325 3.083 10 0 BGAERO CC1=C(C)[C@H](c2ccccc2)SC(=[NH2+])N1 ZINC000039109981 168086722 /nfs/dbraw/zinc/08/67/22/168086722.db2.gz WPADTOCKLULLOJ-LLVKDONJSA-N 1 0 218.325 3.083 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(O)cc1 ZINC000039110112 177116950 /nfs/dbraw/zinc/11/69/50/177116950.db2.gz QKNACWBDEQSHOO-TXEJJXNPSA-N 1 0 219.328 3.155 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(O)cc1 ZINC000039110113 177132427 /nfs/dbraw/zinc/13/24/27/177132427.db2.gz QKNACWBDEQSHOO-RYUDHWBXSA-N 1 0 219.328 3.155 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(O)cc1 ZINC000039110115 176116378 /nfs/dbraw/zinc/11/63/78/176116378.db2.gz QKNACWBDEQSHOO-VXGBXAGGSA-N 1 0 219.328 3.155 10 0 BGAERO Cc1ccc(SCC[NH2+]C2CC2)cc1C ZINC000039110351 188110406 /nfs/dbraw/zinc/11/04/06/188110406.db2.gz CRQAQGZHUZGXRL-UHFFFAOYSA-N 1 0 221.369 3.148 10 0 BGAERO Cc1ccc(NC(=[NH2+])c2cccnc2)cc1C ZINC000039110785 343385195 /nfs/dbraw/zinc/38/51/95/343385195.db2.gz STUUSGKGBNHLHB-UHFFFAOYSA-N 1 0 225.295 3.136 10 0 BGAERO CCCCCC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000039111008 631750103 /nfs/dbraw/zinc/75/01/03/631750103.db2.gz ZUELREXNXZEGLZ-AWEZNQCLSA-N 1 0 227.392 3.050 10 0 BGAERO CCCCCC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000039111009 631749560 /nfs/dbraw/zinc/74/95/60/631749560.db2.gz ZUELREXNXZEGLZ-CQSZACIVSA-N 1 0 227.392 3.050 10 0 BGAERO CCCCCC[C@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000039111010 631749587 /nfs/dbraw/zinc/74/95/87/631749587.db2.gz BSSLQATXPHOWCK-KBPBESRZSA-N 1 0 227.392 3.050 10 0 BGAERO CCCCCC[C@@H](O)C[N@@H+]1CCC[C@H](C)C1 ZINC000039111011 631750017 /nfs/dbraw/zinc/75/00/17/631750017.db2.gz BSSLQATXPHOWCK-UONOGXRCSA-N 1 0 227.392 3.050 10 0 BGAERO CC1(C)C=C(c2ccc(C=O)cc2)C(C)(C)[NH2+]1 ZINC000039111187 384106331 /nfs/dbraw/zinc/10/63/31/384106331.db2.gz KMPHQAGLGKOUII-UHFFFAOYSA-N 1 0 229.323 3.043 10 0 BGAERO [NH2+]=C(NCc1ccccc1)C1CCCCC1 ZINC000039119049 344888596 /nfs/dbraw/zinc/88/85/96/344888596.db2.gz MEPAYEULTCKPGR-UHFFFAOYSA-N 1 0 216.328 3.334 10 0 BGAERO CC(C)C[C@H]([NH3+])CN(Cc1ccccc1)C(C)C ZINC000039141063 187255910 /nfs/dbraw/zinc/25/59/10/187255910.db2.gz FFTGQVYLEXJGCU-INIZCTEOSA-N 1 0 248.414 3.270 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])CN(Cc1ccccc1)C(C)C ZINC000039141070 171397008 /nfs/dbraw/zinc/39/70/08/171397008.db2.gz XBHVHRAAZDSCLT-GOEBONIOSA-N 1 0 248.414 3.270 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)c1ccc(CC)cc1 ZINC000039142642 169150699 /nfs/dbraw/zinc/15/06/99/169150699.db2.gz MIARNIWHTXLLSB-INIZCTEOSA-N 1 0 248.414 3.371 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)c1ccc(CC)cc1 ZINC000039142645 169151975 /nfs/dbraw/zinc/15/19/75/169151975.db2.gz MIARNIWHTXLLSB-MRXNPFEDSA-N 1 0 248.414 3.371 10 0 BGAERO COc1ccc(CCCC[NH3+])c2ccccc12 ZINC000039150509 358221318 /nfs/dbraw/zinc/22/13/18/358221318.db2.gz OJLXVNPKMIZOOC-UHFFFAOYSA-N 1 0 229.323 3.130 10 0 BGAERO Cc1cc(Nc2ccc(F)cc2)c(N)c(C)[nH+]1 ZINC000039150610 347181346 /nfs/dbraw/zinc/18/13/46/347181346.db2.gz XKIRCRQALKQBTE-UHFFFAOYSA-N 1 0 231.274 3.163 10 0 BGAERO COc1ccc(C(=[NH2+])Nc2ccccc2)cc1 ZINC000039170289 175052226 /nfs/dbraw/zinc/05/22/26/175052226.db2.gz PFTGRFVLRCTDRI-UHFFFAOYSA-N 1 0 226.279 3.133 10 0 BGAERO [NH3+]C1C[C@H]2CCC[C@@H](C1)N2C1CCCCCC1 ZINC000039187332 358219819 /nfs/dbraw/zinc/21/98/19/358219819.db2.gz DHYMMQBHICASBQ-LQDVMPOASA-N 1 0 236.403 3.053 10 0 BGAERO C[N@@H+]1C[C@@H]2CCCC[C@]2(c2ccccc2)C1 ZINC000039191212 173187715 /nfs/dbraw/zinc/18/77/15/173187715.db2.gz KOMUTRYSVZSJSV-LSDHHAIUSA-N 1 0 215.340 3.060 10 0 BGAERO CCC[NH2+][C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000039213991 169282839 /nfs/dbraw/zinc/28/28/39/169282839.db2.gz OYMAXEPKJMLRBZ-LLVKDONJSA-N 1 0 228.339 3.025 10 0 BGAERO CCC[NH2+][C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000039213992 169292820 /nfs/dbraw/zinc/29/28/20/169292820.db2.gz OYMAXEPKJMLRBZ-NSHDSACASA-N 1 0 228.339 3.025 10 0 BGAERO CCCC[NH2+][C@@H]1CCc2[nH]c3ccccc3c2C1 ZINC000039213993 387489372 /nfs/dbraw/zinc/48/93/72/387489372.db2.gz LGWVLETTZTZTPU-GFCCVEGCSA-N 1 0 242.366 3.415 10 0 BGAERO CCCC[NH2+][C@H]1CCc2[nH]c3ccccc3c2C1 ZINC000039213994 387488991 /nfs/dbraw/zinc/48/89/91/387488991.db2.gz LGWVLETTZTZTPU-LBPRGKRZSA-N 1 0 242.366 3.415 10 0 BGAERO c1ccc2c(c1)[nH]c1c2C[C@@H]([NH+]2CCCC2)CC1 ZINC000039213997 387487943 /nfs/dbraw/zinc/48/79/43/387487943.db2.gz LOEZCSXETJMUNC-LBPRGKRZSA-N 1 0 240.350 3.121 10 0 BGAERO c1ccc2c(c1)[nH]c1c2C[C@H]([NH+]2CCCC2)CC1 ZINC000039213998 387488096 /nfs/dbraw/zinc/48/80/96/387488096.db2.gz LOEZCSXETJMUNC-GFCCVEGCSA-N 1 0 240.350 3.121 10 0 BGAERO C[NH+](C)[C@@H]1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000039214017 172530765 /nfs/dbraw/zinc/53/07/65/172530765.db2.gz NHOAEOLTRGORRX-SECBINFHSA-N 1 0 248.757 3.240 10 0 BGAERO C[NH+](C)[C@H]1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000039214018 358219734 /nfs/dbraw/zinc/21/97/34/358219734.db2.gz NHOAEOLTRGORRX-VIFPVBQESA-N 1 0 248.757 3.240 10 0 BGAERO Cc1cc2[nH]c3c(c2cc1C)C[C@H]([NH+](C)C)CC3 ZINC000039214039 178276563 /nfs/dbraw/zinc/27/65/63/178276563.db2.gz ZDJYJXUICSAKDF-GFCCVEGCSA-N 1 0 242.366 3.204 10 0 BGAERO Cc1cc2[nH]c3c(c2cc1C)C[C@@H]([NH+](C)C)CC3 ZINC000039214040 178276440 /nfs/dbraw/zinc/27/64/40/178276440.db2.gz ZDJYJXUICSAKDF-LBPRGKRZSA-N 1 0 242.366 3.204 10 0 BGAERO Cc1cc2[nH]c3c(c2c(C)c1)C[C@H]([NH+](C)C)CC3 ZINC000039214055 387489220 /nfs/dbraw/zinc/48/92/20/387489220.db2.gz XPPMFOAYEAADRE-GFCCVEGCSA-N 1 0 242.366 3.204 10 0 BGAERO Cc1cc2[nH]c3c(c2c(C)c1)C[C@@H]([NH+](C)C)CC3 ZINC000039214056 387488771 /nfs/dbraw/zinc/48/87/71/387488771.db2.gz XPPMFOAYEAADRE-LBPRGKRZSA-N 1 0 242.366 3.204 10 0 BGAERO CCc1cccc2[nH]c3c(c21)C[C@@H]([NH+](C)C)CC3 ZINC000039214057 387488471 /nfs/dbraw/zinc/48/84/71/387488471.db2.gz RQIODBKLHDKUFO-LBPRGKRZSA-N 1 0 242.366 3.149 10 0 BGAERO CCc1cccc2[nH]c3c(c21)C[C@H]([NH+](C)C)CC3 ZINC000039214058 171866857 /nfs/dbraw/zinc/86/68/57/171866857.db2.gz RQIODBKLHDKUFO-GFCCVEGCSA-N 1 0 242.366 3.149 10 0 BGAERO C1=CCC2=C(CC([NH+]3CCCCC3)C2)C1 ZINC000039219913 397869866 /nfs/dbraw/zinc/86/98/66/397869866.db2.gz WZUYBLJNQTVQFS-UHFFFAOYSA-N 1 0 203.329 3.281 10 0 BGAERO C[NH+](C)CCCC1=CCCc2ccccc21 ZINC000039219932 347185131 /nfs/dbraw/zinc/18/51/31/347185131.db2.gz YGBWFYPQDFNNPP-UHFFFAOYSA-N 1 0 215.340 3.358 10 0 BGAERO [NH3+][C@@H](c1ccccc1)c1ccccc1-c1ncc[nH]1 ZINC000039222244 343387242 /nfs/dbraw/zinc/38/72/42/343387242.db2.gz XULZRNNCMQVFEU-HNNXBMFYSA-N 1 0 249.317 3.125 10 0 BGAERO [NH3+][C@H](c1ccccc1)c1ccccc1-c1ncc[nH]1 ZINC000039222246 343387151 /nfs/dbraw/zinc/38/71/51/343387151.db2.gz XULZRNNCMQVFEU-OAHLLOKOSA-N 1 0 249.317 3.125 10 0 BGAERO COc1ccc(NC(=[NH2+])c2ccccc2)cc1 ZINC000039225407 358220267 /nfs/dbraw/zinc/22/02/67/358220267.db2.gz UJGBDLAZOGUNDQ-UHFFFAOYSA-N 1 0 226.279 3.133 10 0 BGAERO c1cn(CC[NH+]2CCCCC2)c2ccccc12 ZINC000039236228 346289430 /nfs/dbraw/zinc/28/94/30/346289430.db2.gz MTPXLCUPBLSHQZ-UHFFFAOYSA-N 1 0 228.339 3.127 10 0 BGAERO [NH3+][C@@H]1c2ccccc2CCc2ccc(Cl)cc21 ZINC000039236467 347187860 /nfs/dbraw/zinc/18/78/60/347187860.db2.gz ZSOXHFJCBDEOQY-OAHLLOKOSA-N 1 0 243.737 3.487 10 0 BGAERO [NH3+][C@H]1c2ccccc2CCc2ccc(Cl)cc21 ZINC000039236468 347187837 /nfs/dbraw/zinc/18/78/37/347187837.db2.gz ZSOXHFJCBDEOQY-HNNXBMFYSA-N 1 0 243.737 3.487 10 0 BGAERO Cc1ccc2c(c1)C(c1ccccc1)=NCC(N)=[NH+]2 ZINC000039247884 346874587 /nfs/dbraw/zinc/87/45/87/346874587.db2.gz CKLBCCMYEQGUCZ-UHFFFAOYSA-N 1 0 249.317 3.235 10 0 BGAERO C[NH+](C)CCCCCCCCCCCCO ZINC000039253853 368330270 /nfs/dbraw/zinc/33/02/70/368330270.db2.gz CXXWSVAXFGHENE-UHFFFAOYSA-N 1 0 229.408 3.441 10 0 BGAERO [NH3+]CCNc1c(Cl)cc(Cl)cc1Cl ZINC000039261716 343387932 /nfs/dbraw/zinc/38/79/32/343387932.db2.gz JQIOPUYPNNEIFK-UHFFFAOYSA-N 1 0 239.533 3.017 10 0 BGAERO Clc1ccc2[nH]cc(C3CC[NH2+]CC3)c2c1 ZINC000039307720 359312369 /nfs/dbraw/zinc/31/23/69/359312369.db2.gz MVDXZCKFTCOBAO-UHFFFAOYSA-N 1 0 234.730 3.288 10 0 BGAERO C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000039316245 372941918 /nfs/dbraw/zinc/94/19/18/372941918.db2.gz OOFLNVTUZUKTGD-UHFFFAOYSA-N 1 0 209.720 3.149 10 0 BGAERO Cc1cc(C)nc(NCC[NH+](C(C)C)C(C)C)c1 ZINC000039318178 343388414 /nfs/dbraw/zinc/38/84/14/343388414.db2.gz DXMWSNFYTWVHKU-UHFFFAOYSA-N 1 0 249.402 3.229 10 0 BGAERO CCC[NH+](CCC)CCNc1cc(C)cc(C)n1 ZINC000039318180 384676624 /nfs/dbraw/zinc/67/66/24/384676624.db2.gz DKYVSEYBXHDPHY-UHFFFAOYSA-N 1 0 249.402 3.232 10 0 BGAERO N#[N+]C1=C2C=CCC=C2c2ccc(Cl)cc21 ZINC000039320511 384676337 /nfs/dbraw/zinc/67/63/37/384676337.db2.gz UBMVSCXEYCUELT-UHFFFAOYSA-N 1 0 226.666 3.388 10 0 BGAERO Cc1cc([C@@H](C)[NH3+])ccc1OCC(C)C ZINC000039321359 178220445 /nfs/dbraw/zinc/22/04/45/178220445.db2.gz NCNXQPZZAMZPJA-LLVKDONJSA-N 1 0 207.317 3.050 10 0 BGAERO Cc1cc([C@H](C)[NH3+])ccc1OCC(C)C ZINC000039321361 178243738 /nfs/dbraw/zinc/24/37/38/178243738.db2.gz NCNXQPZZAMZPJA-NSHDSACASA-N 1 0 207.317 3.050 10 0 BGAERO Cc1cc(OCC(C)C)ccc1[C@@H](C)[NH3+] ZINC000039321370 178210342 /nfs/dbraw/zinc/21/03/42/178210342.db2.gz JTLZKKDUBWGINY-LLVKDONJSA-N 1 0 207.317 3.050 10 0 BGAERO Cc1cc(OCC(C)C)ccc1[C@H](C)[NH3+] ZINC000039321372 178210185 /nfs/dbraw/zinc/21/01/85/178210185.db2.gz JTLZKKDUBWGINY-NSHDSACASA-N 1 0 207.317 3.050 10 0 BGAERO C[NH2+][C@H](Cc1ccccc1N)c1ccc(C)cc1 ZINC000039338573 384677663 /nfs/dbraw/zinc/67/76/63/384677663.db2.gz BLFLTCLDAMZINV-MRXNPFEDSA-N 1 0 240.350 3.080 10 0 BGAERO C[NH2+][C@@H](Cc1ccccc1N)c1ccc(C)cc1 ZINC000039338574 384677311 /nfs/dbraw/zinc/67/73/11/384677311.db2.gz BLFLTCLDAMZINV-INIZCTEOSA-N 1 0 240.350 3.080 10 0 BGAERO c1ccc(C[C@@H]2C[NH2+]Cc3ccccc32)cc1 ZINC000039345810 183409358 /nfs/dbraw/zinc/40/93/58/183409358.db2.gz CKJWVXRCDWDATH-OAHLLOKOSA-N 1 0 223.319 3.116 10 0 BGAERO C[N@@H+]1CC[C@@]2(c3cccc(O)c3)CCCC[C@@H]2C1 ZINC000039347280 347190009 /nfs/dbraw/zinc/19/00/09/347190009.db2.gz ZMMPBZMELZHMIT-GDBMZVCRSA-N 1 0 245.366 3.156 10 0 BGAERO [NH2+]=C(Nc1ccccc1)N1CCc2ccccc21 ZINC000039351063 181200459 /nfs/dbraw/zinc/20/04/59/181200459.db2.gz LCNWMKJZKOZOIY-UHFFFAOYSA-N 1 0 237.306 3.096 10 0 BGAERO c1c[nH]c(/C(=C2/C=CC=[NH+]2)c2ccccc2)c1 ZINC000039365269 188122607 /nfs/dbraw/zinc/12/26/07/188122607.db2.gz NEQSMFDDRBWXRH-PFONDFGASA-N 1 0 220.275 3.415 10 0 BGAERO C[C@H]([NH3+])C1(c2ccc(Cl)cc2)CCC1 ZINC000039391059 582675560 /nfs/dbraw/zinc/67/55/60/582675560.db2.gz BRJQECFROQSHGI-VIFPVBQESA-N 1 0 209.720 3.109 10 0 BGAERO C[C@@H]([NH3+])C1(c2ccc(Cl)cc2)CCC1 ZINC000039391060 582675547 /nfs/dbraw/zinc/67/55/47/582675547.db2.gz BRJQECFROQSHGI-SECBINFHSA-N 1 0 209.720 3.109 10 0 BGAERO [NH3+][C@H]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000039410477 181654710 /nfs/dbraw/zinc/65/47/10/181654710.db2.gz QUVPWXZNLHXAIF-JKSUJKDBSA-N 1 0 223.319 3.092 10 0 BGAERO COc1cccc2c1C=C([NH+]1CCCC1)CC2 ZINC000039414078 347190736 /nfs/dbraw/zinc/19/07/36/347190736.db2.gz IALOYZRGZGLUJR-UHFFFAOYSA-N 1 0 229.323 3.078 10 0 BGAERO CCOC(=O)CCCCCCCCCC[NH3+] ZINC000039418218 358226795 /nfs/dbraw/zinc/22/67/95/358226795.db2.gz QHNDMDXXMVBFTM-UHFFFAOYSA-N 1 0 229.364 3.019 10 0 BGAERO c1ccc(-c2ccc([C@@]34C[C@@H]3C[NH2+]C4)cc2)cc1 ZINC000039471891 183379377 /nfs/dbraw/zinc/37/93/77/183379377.db2.gz FKKPHPHBDNQCCQ-SJORKVTESA-N 1 0 235.330 3.215 10 0 in-vivo BGAERO c1ccc(-c2ccc([C@]34C[C@H]3C[NH2+]C4)cc2)cc1 ZINC000039471892 183379553 /nfs/dbraw/zinc/37/95/53/183379553.db2.gz FKKPHPHBDNQCCQ-DLBZAZTESA-N 1 0 235.330 3.215 10 0 in-vivo BGAERO COc1ccc(C[C@@H]2CC(C)=C(C)C[N@@H+]2C)cc1 ZINC000039476813 368330435 /nfs/dbraw/zinc/33/04/35/368330435.db2.gz YLMKSXLVWNZHPB-HNNXBMFYSA-N 1 0 245.366 3.278 10 0 BGAERO COc1ccc(C[C@H]2CC(C)=C(C)C[N@@H+]2C)cc1 ZINC000039476815 368330198 /nfs/dbraw/zinc/33/01/98/368330198.db2.gz YLMKSXLVWNZHPB-OAHLLOKOSA-N 1 0 245.366 3.278 10 0 BGAERO CC(C)(C)c1[nH+]cc2cc(Cl)nc(Cl)n21 ZINC000039629097 343539813 /nfs/dbraw/zinc/53/98/13/343539813.db2.gz PVIFIXBNASLYJO-UHFFFAOYSA-N 1 0 244.125 3.334 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1Sc1ccccc1 ZINC000039643018 373017416 /nfs/dbraw/zinc/01/74/16/373017416.db2.gz NTDUOJYZJWREQU-NWDGAFQWSA-N 1 0 207.342 3.049 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H]1Sc1ccccc1 ZINC000039643019 373017088 /nfs/dbraw/zinc/01/70/88/373017088.db2.gz NTDUOJYZJWREQU-RYUDHWBXSA-N 1 0 207.342 3.049 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1Sc1ccccc1 ZINC000039643020 181576692 /nfs/dbraw/zinc/57/66/92/181576692.db2.gz NTDUOJYZJWREQU-VXGBXAGGSA-N 1 0 207.342 3.049 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1Sc1ccccc1 ZINC000039643021 361061980 /nfs/dbraw/zinc/06/19/80/361061980.db2.gz NTDUOJYZJWREQU-NEPJUHHUSA-N 1 0 207.342 3.049 10 0 BGAERO CCC[NH+](CCC)[C@@H]1CCc2cccc(N)c2C1 ZINC000039645717 358228296 /nfs/dbraw/zinc/22/82/96/358228296.db2.gz GKXCRUNVLJPRBL-CQSZACIVSA-N 1 0 246.398 3.248 10 0 BGAERO CCC[NH+](CCC)[C@H]1CCc2cccc(N)c2C1 ZINC000039645718 347193608 /nfs/dbraw/zinc/19/36/08/347193608.db2.gz GKXCRUNVLJPRBL-AWEZNQCLSA-N 1 0 246.398 3.248 10 0 BGAERO c1csc([C@H]([NH2+]C2CCC2)C2CC2)c1 ZINC000039711890 183522201 /nfs/dbraw/zinc/52/22/01/183522201.db2.gz URXMYYOYTKOXSP-GFCCVEGCSA-N 1 0 207.342 3.341 10 0 BGAERO c1csc([C@@H]([NH2+]C2CCC2)C2CC2)c1 ZINC000039711892 343392132 /nfs/dbraw/zinc/39/21/32/343392132.db2.gz URXMYYOYTKOXSP-LBPRGKRZSA-N 1 0 207.342 3.341 10 0 BGAERO [NH3+]CC[C@@H]1Cc2cccc(-c3ccccc3)c2O1 ZINC000039829678 358228170 /nfs/dbraw/zinc/22/81/70/358228170.db2.gz NOSFNFPISGOUQO-CQSZACIVSA-N 1 0 239.318 3.006 10 0 BGAERO [NH3+]CC[C@H]1Cc2cccc(-c3ccccc3)c2O1 ZINC000039829687 358228316 /nfs/dbraw/zinc/22/83/16/358228316.db2.gz NOSFNFPISGOUQO-AWEZNQCLSA-N 1 0 239.318 3.006 10 0 BGAERO [NH3+][C@@H]1CN(C2CCCC2)c2ccc(Cl)cc21 ZINC000039941584 343393740 /nfs/dbraw/zinc/39/37/40/343393740.db2.gz YSIXEKFGVZQADM-GFCCVEGCSA-N 1 0 236.746 3.102 10 0 BGAERO [NH3+][C@H]1CN(C2CCCC2)c2ccc(Cl)cc21 ZINC000039941585 343393666 /nfs/dbraw/zinc/39/36/66/343393666.db2.gz YSIXEKFGVZQADM-LBPRGKRZSA-N 1 0 236.746 3.102 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH3+])CN2Cc1ccccc1 ZINC000039941606 343393777 /nfs/dbraw/zinc/39/37/77/343393777.db2.gz NPSQWPXKKWOXHE-OAHLLOKOSA-N 1 0 238.334 3.015 10 0 BGAERO Cc1ccc2c(c1)[C@@H]([NH3+])CN2Cc1ccccc1 ZINC000039941607 178950076 /nfs/dbraw/zinc/95/00/76/178950076.db2.gz NPSQWPXKKWOXHE-HNNXBMFYSA-N 1 0 238.334 3.015 10 0 BGAERO CCCCn1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040163817 169034586 /nfs/dbraw/zinc/03/45/86/169034586.db2.gz LSKWOUDJPLAMRE-ZDUSSCGKSA-N 1 0 243.354 3.261 10 0 BGAERO CCCCn1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000040163818 169035255 /nfs/dbraw/zinc/03/52/55/169035255.db2.gz LSKWOUDJPLAMRE-CYBMUJFWSA-N 1 0 243.354 3.261 10 0 BGAERO CC[C@@H](C)n1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040163821 388412781 /nfs/dbraw/zinc/41/27/81/388412781.db2.gz JNJYZKVWMQSVNY-YPMHNXCESA-N 1 0 243.354 3.432 10 0 BGAERO CC[C@H](C)n1c2ccccc2nc1[C@@H]1CCC[NH2+]1 ZINC000040163822 388412530 /nfs/dbraw/zinc/41/25/30/388412530.db2.gz JNJYZKVWMQSVNY-AAEUAGOBSA-N 1 0 243.354 3.432 10 0 BGAERO CC[C@@H](C)n1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000040163823 388412769 /nfs/dbraw/zinc/41/27/69/388412769.db2.gz JNJYZKVWMQSVNY-DGCLKSJQSA-N 1 0 243.354 3.432 10 0 BGAERO CC[C@H](C)n1c2ccccc2nc1[C@H]1CCC[NH2+]1 ZINC000040163824 388412801 /nfs/dbraw/zinc/41/28/01/388412801.db2.gz JNJYZKVWMQSVNY-WCQYABFASA-N 1 0 243.354 3.432 10 0 BGAERO CCCCn1c2ccccc2nc1[C@H]([NH3+])C(C)C ZINC000040163883 169035353 /nfs/dbraw/zinc/03/53/53/169035353.db2.gz PVVILEQJVVRUEQ-CQSZACIVSA-N 1 0 245.370 3.492 10 0 BGAERO CCCCn1c2ccccc2nc1[C@@H]([NH3+])C(C)C ZINC000040163884 169035420 /nfs/dbraw/zinc/03/54/20/169035420.db2.gz PVVILEQJVVRUEQ-AWEZNQCLSA-N 1 0 245.370 3.492 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccccc2F)cc1 ZINC000040174828 173387989 /nfs/dbraw/zinc/38/79/89/173387989.db2.gz UBGZQRMHZDDFGS-UHFFFAOYSA-N 1 0 215.271 3.212 10 0 BGAERO C[NH2+]Cc1ccccc1-c1ccccc1F ZINC000040174832 351931323 /nfs/dbraw/zinc/93/13/23/351931323.db2.gz ADESERACSPVJIT-UHFFFAOYSA-N 1 0 215.271 3.212 10 0 BGAERO CCC(C)(C)[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000040177282 168301659 /nfs/dbraw/zinc/30/16/59/168301659.db2.gz WKOHKDZOKKPPQX-OAHLLOKOSA-N 1 0 246.398 3.039 10 0 BGAERO CCC(C)(C)[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000040177283 168302747 /nfs/dbraw/zinc/30/27/47/168302747.db2.gz WKOHKDZOKKPPQX-HNNXBMFYSA-N 1 0 246.398 3.039 10 0 BGAERO [NH3+]Cc1ccc(OC2CCCCCC2)cc1 ZINC000040227735 358233979 /nfs/dbraw/zinc/23/39/79/358233979.db2.gz HNRORTKRQLUYTK-UHFFFAOYSA-N 1 0 219.328 3.247 10 0 BGAERO CC(C)c1cccc(C(C)C)c1OCC[NH3+] ZINC000040231579 343398901 /nfs/dbraw/zinc/39/89/01/343398901.db2.gz YSTHGZZXNHORNE-UHFFFAOYSA-N 1 0 221.344 3.271 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(-c2ccncc2)cc1 ZINC000040231752 170869908 /nfs/dbraw/zinc/86/99/08/170869908.db2.gz SPKDIBHGPWGTHY-CQSZACIVSA-N 1 0 212.296 3.158 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccncc1 ZINC000040231767 170142082 /nfs/dbraw/zinc/14/20/82/170142082.db2.gz LMOMLLBTPLPYFJ-LBPRGKRZSA-N 1 0 226.323 3.419 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1-c1ccncc1 ZINC000040231769 170159884 /nfs/dbraw/zinc/15/98/84/170159884.db2.gz LMOMLLBTPLPYFJ-GFCCVEGCSA-N 1 0 226.323 3.419 10 0 BGAERO [NH3+][C@H](c1ccc(Br)s1)C1CCC1 ZINC000040236145 355827357 /nfs/dbraw/zinc/82/73/57/355827357.db2.gz FVAOEOPWILKJGO-VIFPVBQESA-N 1 0 246.173 3.311 10 0 BGAERO CC[C@H]([NH2+]C)c1ccc(Br)s1 ZINC000040236626 355823430 /nfs/dbraw/zinc/82/34/30/355823430.db2.gz PMYYAOROBACNHI-LURJTMIESA-N 1 0 234.162 3.181 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccc(Br)s1 ZINC000040236629 387041482 /nfs/dbraw/zinc/04/14/82/387041482.db2.gz PMYYAOROBACNHI-ZCFIWIBFSA-N 1 0 234.162 3.181 10 0 BGAERO C[NH2+][C@H](c1ccc(Br)s1)C(C)C ZINC000040236643 355823722 /nfs/dbraw/zinc/82/37/22/355823722.db2.gz MTCZHAXCUMWCQI-VIFPVBQESA-N 1 0 248.189 3.427 10 0 BGAERO C[NH2+][C@@H](c1ccc(Br)s1)C(C)C ZINC000040236645 355823347 /nfs/dbraw/zinc/82/33/47/355823347.db2.gz MTCZHAXCUMWCQI-SECBINFHSA-N 1 0 248.189 3.427 10 0 BGAERO C[NH2+][C@@H](c1ccc(Br)s1)C1CC1 ZINC000040236706 173427553 /nfs/dbraw/zinc/42/75/53/173427553.db2.gz UASSYGDFUQGQHA-SECBINFHSA-N 1 0 246.173 3.181 10 0 BGAERO C[NH2+][C@H](c1ccc(Br)s1)C1CC1 ZINC000040236708 387040851 /nfs/dbraw/zinc/04/08/51/387040851.db2.gz UASSYGDFUQGQHA-VIFPVBQESA-N 1 0 246.173 3.181 10 0 BGAERO C[NH2+][C@H](CCOc1ccccc1)c1cccs1 ZINC000040237847 173451584 /nfs/dbraw/zinc/45/15/84/173451584.db2.gz FJCPVOVQFWPDMO-CYBMUJFWSA-N 1 0 247.363 3.478 10 0 BGAERO C[NH2+]Cc1cc(-c2cccs2)ccc1OC ZINC000040238034 173386280 /nfs/dbraw/zinc/38/62/80/173386280.db2.gz LMDDVUUMGDRAGA-UHFFFAOYSA-N 1 0 233.336 3.143 10 0 BGAERO C[C@H]([NH3+])c1cccc(-c2cccs2)c1 ZINC000040238066 176777595 /nfs/dbraw/zinc/77/75/95/176777595.db2.gz OQEZGQKSCTWHNH-VIFPVBQESA-N 1 0 203.310 3.435 10 0 BGAERO Nc1cc(C[NH2+]Cc2ccccc2)ccc1Cl ZINC000040409759 373241640 /nfs/dbraw/zinc/24/16/40/373241640.db2.gz UPGQOGFTGLDSJS-UHFFFAOYSA-N 1 0 246.741 3.212 10 0 BGAERO C[NH2+]Cc1csc(-c2ccc(Cl)cc2)n1 ZINC000040414411 173392871 /nfs/dbraw/zinc/39/28/71/173392871.db2.gz NAIUQPZUSHLZJS-UHFFFAOYSA-N 1 0 238.743 3.183 10 0 BGAERO C[NH2+]Cc1csc(-c2ccccc2Cl)n1 ZINC000040414438 173393266 /nfs/dbraw/zinc/39/32/66/173393266.db2.gz OKOTYUMARZALHX-UHFFFAOYSA-N 1 0 238.743 3.183 10 0 BGAERO CC(C)n1c2cc(Cl)ccc2nc1[C@@H](C)[NH3+] ZINC000040417425 373251677 /nfs/dbraw/zinc/25/16/77/373251677.db2.gz YNQQQZGQDOTJJN-MRVPVSSYSA-N 1 0 237.734 3.290 10 0 BGAERO CC(C)n1c2cc(Cl)ccc2nc1[C@H](C)[NH3+] ZINC000040417426 373251380 /nfs/dbraw/zinc/25/13/80/373251380.db2.gz YNQQQZGQDOTJJN-QMMMGPOBSA-N 1 0 237.734 3.290 10 0 BGAERO CCCn1c2cc(Cl)ccc2nc1[C@@H](C)[NH3+] ZINC000040417584 373251434 /nfs/dbraw/zinc/25/14/34/373251434.db2.gz AMRBPEAKDUSUJJ-MRVPVSSYSA-N 1 0 237.734 3.119 10 0 BGAERO CCCn1c2cc(Cl)ccc2nc1[C@H](C)[NH3+] ZINC000040417585 373251595 /nfs/dbraw/zinc/25/15/95/373251595.db2.gz AMRBPEAKDUSUJJ-QMMMGPOBSA-N 1 0 237.734 3.119 10 0 BGAERO CC[NH2+]Cc1csc(-c2ccc(CC)cc2)n1 ZINC000040419303 170130673 /nfs/dbraw/zinc/13/06/73/170130673.db2.gz JMMJJNKGIUGNRZ-UHFFFAOYSA-N 1 0 246.379 3.482 10 0 BGAERO CC[NH2+]Cc1csc(-c2cccc(F)c2)n1 ZINC000040420181 170130351 /nfs/dbraw/zinc/13/03/51/170130351.db2.gz VLKAXXVNCNTTTC-UHFFFAOYSA-N 1 0 236.315 3.059 10 0 BGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cscn1 ZINC000040420485 177137330 /nfs/dbraw/zinc/13/73/30/177137330.db2.gz GFQSVUGNFYDCKM-UMNHJUIQSA-N 1 0 224.373 3.057 10 0 BGAERO C[C@H]1[C@H]([NH2+]Cc2cscn2)CCC[C@@H]1C ZINC000040420489 177123337 /nfs/dbraw/zinc/12/33/37/177123337.db2.gz GFQSVUGNFYDCKM-HOSYDEDBSA-N 1 0 224.373 3.057 10 0 BGAERO Fc1ccc(C(F)(F)F)cc1[C@@H]1CCC[NH2+]1 ZINC000040442603 350363351 /nfs/dbraw/zinc/36/33/51/350363351.db2.gz YHLUXUCPXSFYJZ-JTQLQIEISA-N 1 0 233.208 3.269 10 0 BGAERO CCCCc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000040442616 169022933 /nfs/dbraw/zinc/02/29/33/169022933.db2.gz FIIBIGIWCCTNHS-AWEZNQCLSA-N 1 0 203.329 3.454 10 0 BGAERO Fc1cc(C(F)(F)F)ccc1[C@@H]1CCC[NH2+]1 ZINC000040442619 191002491 /nfs/dbraw/zinc/00/24/91/191002491.db2.gz MZOKFYYAPYZNDZ-JTQLQIEISA-N 1 0 233.208 3.269 10 0 BGAERO COc1ccc2cc([C@@H]3CCC[NH2+]3)ccc2c1 ZINC000040442621 175224351 /nfs/dbraw/zinc/22/43/51/175224351.db2.gz MSRLGGJJODHTKX-HNNXBMFYSA-N 1 0 227.307 3.273 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]Cc2nccs2)CC(C)(C)C1 ZINC000040444032 387578342 /nfs/dbraw/zinc/57/83/42/387578342.db2.gz XPPNGCBNSFTLIO-MNOVXSKESA-N 1 0 238.400 3.448 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]Cc2nccs2)CC(C)(C)C1 ZINC000040444034 176377451 /nfs/dbraw/zinc/37/74/51/176377451.db2.gz XPPNGCBNSFTLIO-GHMZBOCLSA-N 1 0 238.400 3.448 10 0 BGAERO Cc1ncsc1[C@@H](C)[NH2+]CC(C)(C)C ZINC000040493049 180327138 /nfs/dbraw/zinc/32/71/38/180327138.db2.gz UHRLMIBNKMSPFQ-MRVPVSSYSA-N 1 0 212.362 3.148 10 0 BGAERO Cc1ncsc1[C@H](C)[NH2+]CC(C)(C)C ZINC000040493050 180327540 /nfs/dbraw/zinc/32/75/40/180327540.db2.gz UHRLMIBNKMSPFQ-QMMMGPOBSA-N 1 0 212.362 3.148 10 0 BGAERO CCN1CCC[C@H]([NH2+]C2CCCCCCC2)C1 ZINC000040502065 633817086 /nfs/dbraw/zinc/81/70/86/633817086.db2.gz JZMSOVBIMMHPTO-HNNXBMFYSA-N 1 0 238.419 3.173 10 0 BGAERO CCN1CCC[C@@H]([NH2+]C2CCCCCCC2)C1 ZINC000040502066 633816771 /nfs/dbraw/zinc/81/67/71/633816771.db2.gz JZMSOVBIMMHPTO-OAHLLOKOSA-N 1 0 238.419 3.173 10 0 BGAERO CCCC(CCC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502395 384578581 /nfs/dbraw/zinc/57/85/81/384578581.db2.gz HHZXWZZFWQEFRH-CQSZACIVSA-N 1 0 226.408 3.029 10 0 BGAERO CCCC(CCC)[NH2+][C@H]1CCCN(CC)C1 ZINC000040502396 384578025 /nfs/dbraw/zinc/57/80/25/384578025.db2.gz HHZXWZZFWQEFRH-AWEZNQCLSA-N 1 0 226.408 3.029 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502412 384577355 /nfs/dbraw/zinc/57/73/55/384577355.db2.gz OXOPOICLJYZJIQ-RRFJBIMHSA-N 1 0 240.435 3.275 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000040502414 384578156 /nfs/dbraw/zinc/57/81/56/384578156.db2.gz OXOPOICLJYZJIQ-SOUVJXGZSA-N 1 0 240.435 3.275 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000040502851 384579687 /nfs/dbraw/zinc/57/96/87/384579687.db2.gz JOHYRSKYOFIXMA-ZFWWWQNUSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)C2CCCCC2)C1 ZINC000040502852 384577228 /nfs/dbraw/zinc/57/72/28/384577228.db2.gz JOHYRSKYOFIXMA-DZGCQCFKSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000040502857 373360574 /nfs/dbraw/zinc/36/05/74/373360574.db2.gz JZFUMHKDFXKXIJ-HOCLYGCPSA-N 1 0 246.398 3.130 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000040502858 373360157 /nfs/dbraw/zinc/36/01/57/373360157.db2.gz JZFUMHKDFXKXIJ-GOEBONIOSA-N 1 0 246.398 3.130 10 0 BGAERO CC[C@H](C)Sc1nc(C)cc(C)c1C[NH3+] ZINC000040509833 171356953 /nfs/dbraw/zinc/35/69/53/171356953.db2.gz TZDYNGCOMKRJAX-JTQLQIEISA-N 1 0 224.373 3.048 10 0 BGAERO C[NH2+]Cc1ccc(Oc2ccc(C)cc2C)nc1 ZINC000040538747 173388655 /nfs/dbraw/zinc/38/86/55/173388655.db2.gz SEKRCMMJUXIUMN-UHFFFAOYSA-N 1 0 242.322 3.210 10 0 BGAERO COC1=C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000040539463 174014731 /nfs/dbraw/zinc/01/47/31/174014731.db2.gz DZKYQHGKGIPKDV-QWHCGFSZSA-N 1 0 231.339 3.200 10 0 BGAERO COC1=C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000040539465 174014682 /nfs/dbraw/zinc/01/46/82/174014682.db2.gz DZKYQHGKGIPKDV-STQMWFEESA-N 1 0 231.339 3.200 10 0 BGAERO COC1=C[C@@H](C)[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000040539467 174014609 /nfs/dbraw/zinc/01/46/09/174014609.db2.gz DZKYQHGKGIPKDV-CHWSQXEVSA-N 1 0 231.339 3.200 10 0 BGAERO COC1=C[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000040539469 174014940 /nfs/dbraw/zinc/01/49/40/174014940.db2.gz DZKYQHGKGIPKDV-OLZOCXBDSA-N 1 0 231.339 3.200 10 0 BGAERO [NH3+]Cc1ccc(Sc2ccccc2)s1 ZINC000040541650 187230864 /nfs/dbraw/zinc/23/08/64/187230864.db2.gz RGJZYPPNXGKMNQ-UHFFFAOYSA-N 1 0 221.350 3.358 10 0 BGAERO CCC[C@H]([NH3+])CCSc1ccccc1 ZINC000040542047 169504760 /nfs/dbraw/zinc/50/47/60/169504760.db2.gz OPMJRXGYNMDBTN-NSHDSACASA-N 1 0 209.358 3.296 10 0 BGAERO CCC[C@@H]([NH3+])CCSc1ccccc1 ZINC000040542049 169393057 /nfs/dbraw/zinc/39/30/57/169393057.db2.gz OPMJRXGYNMDBTN-LLVKDONJSA-N 1 0 209.358 3.296 10 0 BGAERO CC[C@H]([NH3+])CCSc1ccc(C)cc1 ZINC000040542055 384585032 /nfs/dbraw/zinc/58/50/32/384585032.db2.gz UBAMHBMYQNIDTA-NSHDSACASA-N 1 0 209.358 3.215 10 0 BGAERO CC[C@@H]([NH3+])CCSc1ccc(C)cc1 ZINC000040542057 170863497 /nfs/dbraw/zinc/86/34/97/170863497.db2.gz UBAMHBMYQNIDTA-LLVKDONJSA-N 1 0 209.358 3.215 10 0 BGAERO C[C@H]([NH3+])CCSc1ccc(Cl)cc1 ZINC000040542063 373467440 /nfs/dbraw/zinc/46/74/40/373467440.db2.gz QOGOKSHZXVLIDX-QMMMGPOBSA-N 1 0 215.749 3.169 10 0 BGAERO C[C@@H]([NH3+])CCSc1ccc(Cl)cc1 ZINC000040542065 388420650 /nfs/dbraw/zinc/42/06/50/388420650.db2.gz QOGOKSHZXVLIDX-MRVPVSSYSA-N 1 0 215.749 3.169 10 0 BGAERO CC(C)Oc1ccc(-c2ccc(C[NH3+])o2)cc1 ZINC000040542740 167287719 /nfs/dbraw/zinc/28/77/19/167287719.db2.gz UNULPDCMWCBIOG-UHFFFAOYSA-N 1 0 231.295 3.193 10 0 BGAERO C[C@@H]1CCC[C@@](CNc2ccccn2)([NH+](C)C)C1 ZINC000040670229 176133616 /nfs/dbraw/zinc/13/36/16/176133616.db2.gz MQHUDNOAJMXHRS-UKRRQHHQSA-N 1 0 247.386 3.004 10 0 BGAERO C[C@H]1CCC[C@@](CNc2ccccn2)([NH+](C)C)C1 ZINC000040670231 177127381 /nfs/dbraw/zinc/12/73/81/177127381.db2.gz MQHUDNOAJMXHRS-DZGCQCFKSA-N 1 0 247.386 3.004 10 0 BGAERO C[C@@H]1CCC[C@](CNc2ccccn2)([NH+](C)C)C1 ZINC000040670234 176151962 /nfs/dbraw/zinc/15/19/62/176151962.db2.gz MQHUDNOAJMXHRS-HIFRSBDPSA-N 1 0 247.386 3.004 10 0 BGAERO C[C@H]1CCC[C@](CNc2ccccn2)([NH+](C)C)C1 ZINC000040670237 177143919 /nfs/dbraw/zinc/14/39/19/177143919.db2.gz MQHUDNOAJMXHRS-ZFWWWQNUSA-N 1 0 247.386 3.004 10 0 BGAERO CCC[NH2+]CCCOc1c(C)cc(C)cc1C ZINC000040678153 169256337 /nfs/dbraw/zinc/25/63/37/169256337.db2.gz YIUSQAKXGYVOSG-UHFFFAOYSA-N 1 0 235.371 3.380 10 0 BGAERO CC(C)C[C@@H](CO)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000040773517 384593303 /nfs/dbraw/zinc/59/33/03/384593303.db2.gz KDZIGTBTFZZBDS-INIZCTEOSA-N 1 0 249.398 3.307 10 0 BGAERO CC(C)C[C@H](CO)[NH2+]Cc1ccc(C(C)C)cc1 ZINC000040773519 322833835 /nfs/dbraw/zinc/83/38/35/322833835.db2.gz KDZIGTBTFZZBDS-MRXNPFEDSA-N 1 0 249.398 3.307 10 0 BGAERO CC[C@H]([NH2+][C@H](CO)CC(C)C)c1ccc(C)cc1 ZINC000040774197 171546290 /nfs/dbraw/zinc/54/62/90/171546290.db2.gz TVMMZUZLANUSEM-HOTGVXAUSA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1ccc(C)cc1 ZINC000040774199 358499672 /nfs/dbraw/zinc/49/96/72/358499672.db2.gz TVMMZUZLANUSEM-JKSUJKDBSA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(C)cc1 ZINC000040774201 358499416 /nfs/dbraw/zinc/49/94/16/358499416.db2.gz TVMMZUZLANUSEM-CVEARBPZSA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1ccc(C)cc1 ZINC000040774203 358499194 /nfs/dbraw/zinc/49/91/94/358499194.db2.gz TVMMZUZLANUSEM-HZPDHXFCSA-N 1 0 249.398 3.443 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+][C@H](CO)CC(C)C)cc1 ZINC000040774648 384596108 /nfs/dbraw/zinc/59/61/08/384596108.db2.gz KQNIJWRQHWJATF-CJNGLKHVSA-N 1 0 249.398 3.307 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H](CO)CC(C)C)cc1 ZINC000040774650 322833922 /nfs/dbraw/zinc/83/39/22/322833922.db2.gz KQNIJWRQHWJATF-BBRMVZONSA-N 1 0 249.398 3.307 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000040774652 322833927 /nfs/dbraw/zinc/83/39/27/322833927.db2.gz KQNIJWRQHWJATF-CZUORRHYSA-N 1 0 249.398 3.307 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H](CO)CC(C)C)cc1 ZINC000040774654 384595821 /nfs/dbraw/zinc/59/58/21/384595821.db2.gz KQNIJWRQHWJATF-XJKSGUPXSA-N 1 0 249.398 3.307 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@H](CO)CC(C)C ZINC000040774658 322833844 /nfs/dbraw/zinc/83/38/44/322833844.db2.gz YWVFCHMRCLOKJH-MJBXVCDLSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H](CO)CC(C)C ZINC000040774662 322833887 /nfs/dbraw/zinc/83/38/87/322833887.db2.gz YWVFCHMRCLOKJH-IHRRRGAJSA-N 1 0 229.408 3.198 10 0 BGAERO CCCC1CCC([NH2+][C@H](CO)CC(C)C)CC1 ZINC000040774876 322833938 /nfs/dbraw/zinc/83/39/38/322833938.db2.gz IKBNMXQQDLEDSG-NRXISQOPSA-N 1 0 241.419 3.342 10 0 BGAERO CCCC1CCC([NH2+][C@@H](CO)CC(C)C)CC1 ZINC000040774878 322833815 /nfs/dbraw/zinc/83/38/15/322833815.db2.gz IKBNMXQQDLEDSG-YMAMQOFZSA-N 1 0 241.419 3.342 10 0 BGAERO CCCCCC[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000040775163 641537803 /nfs/dbraw/zinc/53/78/03/641537803.db2.gz COQYNJFYURBLGD-KGLIPLIRSA-N 1 0 229.408 3.342 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000040775165 641536753 /nfs/dbraw/zinc/53/67/53/641536753.db2.gz COQYNJFYURBLGD-KBPBESRZSA-N 1 0 229.408 3.342 10 0 BGAERO CCCCCC[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000040775167 641536857 /nfs/dbraw/zinc/53/68/57/641536857.db2.gz COQYNJFYURBLGD-ZIAGYGMSSA-N 1 0 229.408 3.342 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000040775169 641537851 /nfs/dbraw/zinc/53/78/51/641537851.db2.gz COQYNJFYURBLGD-UONOGXRCSA-N 1 0 229.408 3.342 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H](CO)CC(C)C)cc1C ZINC000040775981 322833889 /nfs/dbraw/zinc/83/38/89/322833889.db2.gz KDHMSADAQUHCBB-INIZCTEOSA-N 1 0 249.398 3.108 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H](CO)CC(C)C)cc1C ZINC000040775985 322833981 /nfs/dbraw/zinc/83/39/81/322833981.db2.gz KDHMSADAQUHCBB-MRXNPFEDSA-N 1 0 249.398 3.108 10 0 BGAERO C[N@@H+]1CC[C@H]2c3c4ccccc4[nH]c3CC[C@@H]2C1 ZINC000040818547 173163234 /nfs/dbraw/zinc/16/32/34/173163234.db2.gz DYADXWCUDMKIIG-VXGBXAGGSA-N 1 0 240.350 3.149 10 0 BGAERO CCNc1[nH+]ccc2[nH]c3ccccc3c21 ZINC000040829022 170178389 /nfs/dbraw/zinc/17/83/89/170178389.db2.gz DKZAZCYUFWZSQX-UHFFFAOYSA-N 1 0 211.268 3.148 10 0 BGAERO CC/C=C/CCCCCCC[C@@H](O)[C@H](C)[NH3+] ZINC000040872966 188149415 /nfs/dbraw/zinc/14/94/15/188149415.db2.gz BVWZJMSWYIKRNF-OOPLNXAUSA-N 1 0 227.392 3.391 10 0 BGAERO COc1ccc2cc([C@@H]([NH3+])C(C)(C)C)oc2c1 ZINC000040906978 373879944 /nfs/dbraw/zinc/87/99/44/373879944.db2.gz VLTASUYWQKRUTP-CYBMUJFWSA-N 1 0 233.311 3.487 10 0 BGAERO COc1ccc2cc([C@H]([NH3+])C(C)(C)C)oc2c1 ZINC000040906980 373880279 /nfs/dbraw/zinc/88/02/79/373880279.db2.gz VLTASUYWQKRUTP-ZDUSSCGKSA-N 1 0 233.311 3.487 10 0 BGAERO COc1ccc2cc([C@@H]([NH3+])C(C)C)oc2c1 ZINC000040907081 175224907 /nfs/dbraw/zinc/22/49/07/175224907.db2.gz UHQSJORVSXZPJB-ZDUSSCGKSA-N 1 0 219.284 3.097 10 0 BGAERO COc1ccc2cc([C@H]([NH3+])C(C)C)oc2c1 ZINC000040907082 175225063 /nfs/dbraw/zinc/22/50/63/175225063.db2.gz UHQSJORVSXZPJB-CYBMUJFWSA-N 1 0 219.284 3.097 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCCC[C@H]1C ZINC000040908038 176018492 /nfs/dbraw/zinc/01/84/92/176018492.db2.gz XPGYLEYJPBSWFY-NEPJUHHUSA-N 1 0 218.344 3.204 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCCC[C@@H]1C ZINC000040908039 177078964 /nfs/dbraw/zinc/07/89/64/177078964.db2.gz XPGYLEYJPBSWFY-RYUDHWBXSA-N 1 0 218.344 3.204 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000040908043 176017481 /nfs/dbraw/zinc/01/74/81/176017481.db2.gz QAHXOMKEOGREKF-NEPJUHHUSA-N 1 0 218.344 3.062 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000040908044 177103864 /nfs/dbraw/zinc/10/38/64/177103864.db2.gz QAHXOMKEOGREKF-RYUDHWBXSA-N 1 0 218.344 3.062 10 0 BGAERO CC[C@H](C)[N@H+](C)[C@@H](C)c1cccc(N)c1 ZINC000040908135 171309456 /nfs/dbraw/zinc/30/94/56/171309456.db2.gz XCNLLDFRUDLIIQ-QWRGUYRKSA-N 1 0 206.333 3.060 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000040908176 176017745 /nfs/dbraw/zinc/01/77/45/176017745.db2.gz CZWMAOJAGJFTIF-QWRGUYRKSA-N 1 0 218.344 3.060 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCCC[C@H]1C ZINC000040908702 176015451 /nfs/dbraw/zinc/01/54/51/176015451.db2.gz IREPDVRFCGKISQ-NEPJUHHUSA-N 1 0 218.344 3.204 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCCC[C@@H]1C ZINC000040908703 177078577 /nfs/dbraw/zinc/07/85/77/177078577.db2.gz IREPDVRFCGKISQ-RYUDHWBXSA-N 1 0 218.344 3.204 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000040908707 176015430 /nfs/dbraw/zinc/01/54/30/176015430.db2.gz GSDGYWIYOZXTLA-NEPJUHHUSA-N 1 0 218.344 3.062 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000040908708 177104361 /nfs/dbraw/zinc/10/43/61/177104361.db2.gz GSDGYWIYOZXTLA-RYUDHWBXSA-N 1 0 218.344 3.062 10 0 BGAERO CC[N@H+](C(C)C)[C@H](C)c1ccc(N)cc1 ZINC000040908783 169663851 /nfs/dbraw/zinc/66/38/51/169663851.db2.gz XZXIOXRFBXEQOZ-LLVKDONJSA-N 1 0 206.333 3.060 10 0 BGAERO CC[C@H](C)[N@H+](C)[C@@H](C)c1ccc(N)cc1 ZINC000040908799 171309926 /nfs/dbraw/zinc/30/99/26/171309926.db2.gz BYGMOEKJRROEEH-QWRGUYRKSA-N 1 0 206.333 3.060 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@@H+](C)[C@@H](C)C1CC1 ZINC000040908840 176015463 /nfs/dbraw/zinc/01/54/63/176015463.db2.gz XCPJFESQIZYDFE-QWRGUYRKSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)([NH3+])c1nc2cccc(Cl)c2s1 ZINC000040911325 187264101 /nfs/dbraw/zinc/26/41/01/187264101.db2.gz NTGPXDRBGHJUKY-UHFFFAOYSA-N 1 0 226.732 3.144 10 0 BGAERO Cc1nn(C2CCCCC2)c(C)c1C[NH2+]C1CC1 ZINC000040932635 180384830 /nfs/dbraw/zinc/38/48/30/180384830.db2.gz CTFXIDIRZUUXSK-UHFFFAOYSA-N 1 0 247.386 3.257 10 0 BGAERO Cc1cccc(-c2ccc3[nH]c(N)[nH+]c3c2)c1 ZINC000040939620 343411776 /nfs/dbraw/zinc/41/17/76/343411776.db2.gz DPYWSITZBJYBDK-UHFFFAOYSA-N 1 0 223.279 3.121 10 0 BGAERO CC(C)(C)c1ccc([C@@H]2CC[C@@H](C[NH3+])O2)cc1 ZINC000040979909 187290344 /nfs/dbraw/zinc/29/03/44/187290344.db2.gz OOZOQFAQHUVOAM-KBPBESRZSA-N 1 0 233.355 3.163 10 0 in-vivo BGAERO Cc1nc(-c2cccs2)sc1[C@@H](C)[NH3+] ZINC000040994011 387725933 /nfs/dbraw/zinc/72/59/33/387725933.db2.gz PMMFEGRMKJRPJP-ZCFIWIBFSA-N 1 0 224.354 3.200 10 0 BGAERO Cc1nc(-c2cccs2)sc1[C@H](C)[NH3+] ZINC000040994014 179868632 /nfs/dbraw/zinc/86/86/32/179868632.db2.gz PMMFEGRMKJRPJP-LURJTMIESA-N 1 0 224.354 3.200 10 0 BGAERO COc1cccc(-c2nc(C)c([C@@H](C)[NH3+])s2)c1 ZINC000040994063 175236846 /nfs/dbraw/zinc/23/68/46/175236846.db2.gz WXLPSYYPDXQHMQ-MRVPVSSYSA-N 1 0 248.351 3.147 10 0 BGAERO COc1cccc(-c2nc(C)c([C@H](C)[NH3+])s2)c1 ZINC000040994065 175236206 /nfs/dbraw/zinc/23/62/06/175236206.db2.gz WXLPSYYPDXQHMQ-QMMMGPOBSA-N 1 0 248.351 3.147 10 0 BGAERO COc1ccccc1-c1nc(C)c([C@@H](C)[NH3+])s1 ZINC000040994074 175310623 /nfs/dbraw/zinc/31/06/23/175310623.db2.gz GHQYGSKILXSTRY-MRVPVSSYSA-N 1 0 248.351 3.147 10 0 BGAERO COc1ccccc1-c1nc(C)c([C@H](C)[NH3+])s1 ZINC000040994077 175310668 /nfs/dbraw/zinc/31/06/68/175310668.db2.gz GHQYGSKILXSTRY-QMMMGPOBSA-N 1 0 248.351 3.147 10 0 BGAERO Cc1nc(-c2ccsc2)sc1[C@@H](C)[NH3+] ZINC000040994109 387724552 /nfs/dbraw/zinc/72/45/52/387724552.db2.gz GMDTVZLVVPEVTP-ZCFIWIBFSA-N 1 0 224.354 3.200 10 0 BGAERO Cc1nc(-c2ccsc2)sc1[C@H](C)[NH3+] ZINC000040994112 179869839 /nfs/dbraw/zinc/86/98/39/179869839.db2.gz GMDTVZLVVPEVTP-LURJTMIESA-N 1 0 224.354 3.200 10 0 BGAERO Cc1nc(C2CCCC2)sc1[C@@H](C)[NH3+] ZINC000040994161 343411956 /nfs/dbraw/zinc/41/19/56/343411956.db2.gz DTSJMALHZJHLDM-SSDOTTSWSA-N 1 0 210.346 3.129 10 0 BGAERO Cc1nc(C2CCCC2)sc1[C@H](C)[NH3+] ZINC000040994164 343411642 /nfs/dbraw/zinc/41/16/42/343411642.db2.gz DTSJMALHZJHLDM-ZETCQYMHSA-N 1 0 210.346 3.129 10 0 BGAERO C[NH2+][C@@H](C)c1sc(-c2ccsc2)nc1C ZINC000040994417 173421077 /nfs/dbraw/zinc/42/10/77/173421077.db2.gz CJKPZVVLEVTFKO-ZETCQYMHSA-N 1 0 238.381 3.460 10 0 BGAERO C[NH2+][C@H](C)c1sc(C2CCCC2)nc1C ZINC000040994476 173451078 /nfs/dbraw/zinc/45/10/78/173451078.db2.gz WKCLBDLQXQWPAR-MRVPVSSYSA-N 1 0 224.373 3.390 10 0 BGAERO C[NH2+][C@@H](C)c1sc(C2CCCC2)nc1C ZINC000040994479 173421377 /nfs/dbraw/zinc/42/13/77/173421377.db2.gz WKCLBDLQXQWPAR-QMMMGPOBSA-N 1 0 224.373 3.390 10 0 BGAERO Cc1ccc(-c2nc(C)c([C@@H](C)[NH3+])s2)o1 ZINC000040995071 178333033 /nfs/dbraw/zinc/33/30/33/178333033.db2.gz DJZDKDPQRVDKFG-SSDOTTSWSA-N 1 0 222.313 3.040 10 0 BGAERO Cc1ccc(-c2nc(C)c([C@H](C)[NH3+])s2)o1 ZINC000040995073 178332385 /nfs/dbraw/zinc/33/23/85/178332385.db2.gz DJZDKDPQRVDKFG-ZETCQYMHSA-N 1 0 222.313 3.040 10 0 BGAERO CC[NH2+][C@@H](C)c1sc(-c2ccco2)nc1C ZINC000040995647 170143043 /nfs/dbraw/zinc/14/30/43/170143043.db2.gz DLKABVHBOOYESN-QMMMGPOBSA-N 1 0 236.340 3.382 10 0 BGAERO CC[NH2+][C@H](C)c1sc(-c2ccco2)nc1C ZINC000040995650 170161245 /nfs/dbraw/zinc/16/12/45/170161245.db2.gz DLKABVHBOOYESN-MRVPVSSYSA-N 1 0 236.340 3.382 10 0 BGAERO C[NH2+][C@@H](C)c1oc2c(cccc2OC)c1C ZINC000040995843 173420432 /nfs/dbraw/zinc/42/04/32/173420432.db2.gz AOCUMJUTUMWALV-VIFPVBQESA-N 1 0 219.284 3.030 10 0 BGAERO C[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000040996547 173392071 /nfs/dbraw/zinc/39/20/71/173392071.db2.gz PGFCOBILRQDSFN-UHFFFAOYSA-N 1 0 238.743 3.183 10 0 BGAERO C[NH2+]Cc1cnc(-c2cccc(Cl)c2)s1 ZINC000040996570 173392215 /nfs/dbraw/zinc/39/22/15/173392215.db2.gz DVXADDUZTMKXGY-UHFFFAOYSA-N 1 0 238.743 3.183 10 0 BGAERO CC[NH2+]Cc1cnc(-c2ccccc2C)s1 ZINC000040996605 170129676 /nfs/dbraw/zinc/12/96/76/170129676.db2.gz MRVJJCQPJZKOKI-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO CC[NH2+]Cc1cnc(-c2cccc(C)c2)s1 ZINC000040996609 170129680 /nfs/dbraw/zinc/12/96/80/170129680.db2.gz IKMRNOYIMPDYBD-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO CC[NH2+]Cc1cnc(-c2ccc(F)cc2)s1 ZINC000040996621 170129290 /nfs/dbraw/zinc/12/92/90/170129290.db2.gz CSKRBXLOKHVHHD-UHFFFAOYSA-N 1 0 236.315 3.059 10 0 BGAERO CC[NH2+]Cc1cnc(-c2cccc(F)c2)s1 ZINC000040996634 170129214 /nfs/dbraw/zinc/12/92/14/170129214.db2.gz WUTZDQPBJCPEAJ-UHFFFAOYSA-N 1 0 236.315 3.059 10 0 BGAERO CC[NH2+]Cc1cnc(-c2ccc(CC)cc2)s1 ZINC000040996639 170129557 /nfs/dbraw/zinc/12/95/57/170129557.db2.gz OKNAZUVJRTWLSP-UHFFFAOYSA-N 1 0 246.379 3.482 10 0 BGAERO Cc1ccccc1-c1ncc(C[NH2+]C2CC2)s1 ZINC000040996769 179240424 /nfs/dbraw/zinc/24/04/24/179240424.db2.gz LOSIZJRTEWSKRN-UHFFFAOYSA-N 1 0 244.363 3.371 10 0 BGAERO Cc1cc(C)c(-c2ncc(C[NH3+])s2)c(C)c1 ZINC000040996861 177835832 /nfs/dbraw/zinc/83/58/32/177835832.db2.gz XCVBUYASFSEUCP-UHFFFAOYSA-N 1 0 232.352 3.194 10 0 BGAERO C[NH2+]Cc1cnc(-c2ccc(Cl)s2)s1 ZINC000040996897 173392202 /nfs/dbraw/zinc/39/22/02/173392202.db2.gz WYDYBMSPOCBGDW-UHFFFAOYSA-N 1 0 244.772 3.244 10 0 BGAERO C[NH2+]Cc1cnc(-c2ccc(C)cc2C)s1 ZINC000040996907 173392569 /nfs/dbraw/zinc/39/25/69/173392569.db2.gz CFWMTBGWGPVCQD-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO C[NH2+]Cc1cnc(-c2ccccc2Cl)s1 ZINC000040996924 173392533 /nfs/dbraw/zinc/39/25/33/173392533.db2.gz DSIOWZDBEFCHEU-UHFFFAOYSA-N 1 0 238.743 3.183 10 0 BGAERO C[NH2+]Cc1cnc(-c2ccc(C)c(C)c2)s1 ZINC000040996962 173392145 /nfs/dbraw/zinc/39/21/45/173392145.db2.gz IDEJRDQNPPJUOA-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO CC[NH2+]Cc1cnc(-c2ccc(C)s2)s1 ZINC000040996981 170129477 /nfs/dbraw/zinc/12/94/77/170129477.db2.gz CQGZEOSUPDEBPS-UHFFFAOYSA-N 1 0 238.381 3.290 10 0 BGAERO CC[NH2+]Cc1cnc(-c2sccc2C)s1 ZINC000040997003 170130499 /nfs/dbraw/zinc/13/04/99/170130499.db2.gz OORAAZDYNGPSCE-UHFFFAOYSA-N 1 0 238.381 3.290 10 0 BGAERO Cc1ncc(C[NH2+]C2[C@H](C)CCC[C@@H]2C)s1 ZINC000040997354 180149483 /nfs/dbraw/zinc/14/94/83/180149483.db2.gz SCWIKRHPVJVANV-HWYHXSKPSA-N 1 0 238.400 3.366 10 0 BGAERO CC[NH2+]Cc1csc(-c2ccccc2C)n1 ZINC000040999611 170130039 /nfs/dbraw/zinc/13/00/39/170130039.db2.gz BHCCHUOQQFKJDG-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO CC[NH2+]Cc1csc(-c2cccc(C)c2)n1 ZINC000040999614 170130637 /nfs/dbraw/zinc/13/06/37/170130637.db2.gz FNMUCHNPQUPENU-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO CC[NH2+]Cc1csc(C2CCCCC2)n1 ZINC000040999616 170130698 /nfs/dbraw/zinc/13/06/98/170130698.db2.gz MWUNWNVQHHPXHU-UHFFFAOYSA-N 1 0 224.373 3.300 10 0 BGAERO CC[NH2+]Cc1csc(-c2ccccc2F)n1 ZINC000040999622 170130289 /nfs/dbraw/zinc/13/02/89/170130289.db2.gz NOQUSWBDEVKSET-UHFFFAOYSA-N 1 0 236.315 3.059 10 0 BGAERO CC(C)[NH2+]Cc1csc(C2CCCC2)n1 ZINC000040999675 167120788 /nfs/dbraw/zinc/12/07/88/167120788.db2.gz FTZBBLXYJMVQAJ-UHFFFAOYSA-N 1 0 224.373 3.299 10 0 BGAERO CC(C)[NH2+]Cc1csc(Cc2ccccc2)n1 ZINC000040999681 167121712 /nfs/dbraw/zinc/12/17/12/167121712.db2.gz WZYQWUOOAMDXMU-UHFFFAOYSA-N 1 0 246.379 3.232 10 0 BGAERO C[NH2+]Cc1csc(-c2ccc(Cl)s2)n1 ZINC000040999829 173393418 /nfs/dbraw/zinc/39/34/18/173393418.db2.gz SSVNKWRQYFTSFU-UHFFFAOYSA-N 1 0 244.772 3.244 10 0 BGAERO C[NH2+]Cc1csc(-c2cc3ccccc3o2)n1 ZINC000041009982 173393397 /nfs/dbraw/zinc/39/33/97/173393397.db2.gz MWMLBJILDYJSAU-UHFFFAOYSA-N 1 0 244.319 3.276 10 0 BGAERO CC[NH2+]Cc1csc(-c2ccc(C)s2)n1 ZINC000041010013 170129906 /nfs/dbraw/zinc/12/99/06/170129906.db2.gz KNUCYVRDPUKWLS-UHFFFAOYSA-N 1 0 238.381 3.290 10 0 BGAERO CC[NH2+]Cc1csc(-c2sccc2C)n1 ZINC000041010031 170131003 /nfs/dbraw/zinc/13/10/03/170131003.db2.gz OTLFQDICJQKJLX-UHFFFAOYSA-N 1 0 238.381 3.290 10 0 BGAERO Cc1ccc(-c2nc(C[NH2+]C(C)C)cs2)o1 ZINC000041010125 178335980 /nfs/dbraw/zinc/33/59/80/178335980.db2.gz VMHGNUHWNPQJDA-UHFFFAOYSA-N 1 0 236.340 3.210 10 0 BGAERO CC(C)c1ccc([C@@H](C)N2CCC[C@H]([NH3+])C2)cc1 ZINC000041027739 636951154 /nfs/dbraw/zinc/95/11/54/636951154.db2.gz XWNDOYINVIQPHU-CJNGLKHVSA-N 1 0 246.398 3.294 10 0 BGAERO CC(C)c1ccc([C@H](C)N2CCC[C@H]([NH3+])C2)cc1 ZINC000041027740 636951451 /nfs/dbraw/zinc/95/14/51/636951451.db2.gz XWNDOYINVIQPHU-BBRMVZONSA-N 1 0 246.398 3.294 10 0 BGAERO Cc1cc(C)c([C@@H](C)N2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000041027857 410902933 /nfs/dbraw/zinc/90/29/33/410902933.db2.gz RHCTWSKMQDFUTP-CABCVRRESA-N 1 0 246.398 3.096 10 0 BGAERO Cc1cc(C)c([C@H](C)N2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000041027858 409829488 /nfs/dbraw/zinc/82/94/88/409829488.db2.gz RHCTWSKMQDFUTP-GJZGRUSLSA-N 1 0 246.398 3.096 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)Sc2c(OC)cccc21 ZINC000041030744 170154223 /nfs/dbraw/zinc/15/42/23/170154223.db2.gz WILXIACVNKWEAR-GXSJLCMTSA-N 1 0 237.368 3.230 10 0 BGAERO CC[NH2+][C@H]1C[C@H](C)Sc2c(OC)cccc21 ZINC000041030745 170169514 /nfs/dbraw/zinc/16/95/14/170169514.db2.gz WILXIACVNKWEAR-ONGXEEELSA-N 1 0 237.368 3.230 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](C)Sc2c(OC)cccc21 ZINC000041030746 170154048 /nfs/dbraw/zinc/15/40/48/170154048.db2.gz WILXIACVNKWEAR-MWLCHTKSSA-N 1 0 237.368 3.230 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](C)Sc2c(OC)cccc21 ZINC000041030747 170169700 /nfs/dbraw/zinc/16/97/00/170169700.db2.gz WILXIACVNKWEAR-KOLCDFICSA-N 1 0 237.368 3.230 10 0 BGAERO CC[NH2+][C@@H]1c2cccc(OC)c2SC[C@@H]1C ZINC000041030760 170155283 /nfs/dbraw/zinc/15/52/83/170155283.db2.gz BZTDKGXJSVKZTK-CABZTGNLSA-N 1 0 237.368 3.088 10 0 BGAERO CC[NH2+][C@H]1c2cccc(OC)c2SC[C@@H]1C ZINC000041030761 170169716 /nfs/dbraw/zinc/16/97/16/170169716.db2.gz BZTDKGXJSVKZTK-JOYOIKCWSA-N 1 0 237.368 3.088 10 0 BGAERO CC[NH2+][C@@H]1c2cccc(OC)c2SC[C@H]1C ZINC000041030762 170154705 /nfs/dbraw/zinc/15/47/05/170154705.db2.gz BZTDKGXJSVKZTK-SKDRFNHKSA-N 1 0 237.368 3.088 10 0 BGAERO CC[NH2+][C@H]1c2cccc(OC)c2SC[C@H]1C ZINC000041030763 170169393 /nfs/dbraw/zinc/16/93/93/170169393.db2.gz BZTDKGXJSVKZTK-BXKDBHETSA-N 1 0 237.368 3.088 10 0 BGAERO CCC[NH2+][C@@H]1CCSc2c(OC)cccc21 ZINC000041030772 169283357 /nfs/dbraw/zinc/28/33/57/169283357.db2.gz ILPWBRAMKHUDLW-LLVKDONJSA-N 1 0 237.368 3.232 10 0 BGAERO CCC[NH2+][C@H]1CCSc2c(OC)cccc21 ZINC000041030773 169292184 /nfs/dbraw/zinc/29/21/84/169292184.db2.gz ILPWBRAMKHUDLW-NSHDSACASA-N 1 0 237.368 3.232 10 0 BGAERO CC[NH2+][C@@H]1CCCSc2c(OC)cccc21 ZINC000041030780 170150303 /nfs/dbraw/zinc/15/03/03/170150303.db2.gz CULUINUZTBOSHN-LLVKDONJSA-N 1 0 237.368 3.232 10 0 BGAERO CC[NH2+][C@H]1CCCSc2c(OC)cccc21 ZINC000041030781 170167245 /nfs/dbraw/zinc/16/72/45/170167245.db2.gz CULUINUZTBOSHN-NSHDSACASA-N 1 0 237.368 3.232 10 0 BGAERO COc1cccc2c1SCC[C@H]2[NH2+]C(C)C ZINC000041030784 175305348 /nfs/dbraw/zinc/30/53/48/175305348.db2.gz ZFALBUHORMZPCI-LLVKDONJSA-N 1 0 237.368 3.230 10 0 BGAERO COc1cccc2c1SCC[C@@H]2[NH2+]C(C)C ZINC000041030785 175305060 /nfs/dbraw/zinc/30/50/60/175305060.db2.gz ZFALBUHORMZPCI-NSHDSACASA-N 1 0 237.368 3.230 10 0 BGAERO COc1cccc2c(C)c([C@@H](C)[NH3+])sc21 ZINC000041030883 175299255 /nfs/dbraw/zinc/29/92/55/175299255.db2.gz UFAMQLOUJODLSM-MRVPVSSYSA-N 1 0 221.325 3.238 10 0 BGAERO COc1cccc2c(C)c([C@H](C)[NH3+])sc21 ZINC000041030884 175299248 /nfs/dbraw/zinc/29/92/48/175299248.db2.gz UFAMQLOUJODLSM-QMMMGPOBSA-N 1 0 221.325 3.238 10 0 BGAERO C[C@@H](CC[NH3+])Sc1ccc(Cl)cc1 ZINC000041042921 175673831 /nfs/dbraw/zinc/67/38/31/175673831.db2.gz JAEMCTGNFIAPFM-QMMMGPOBSA-N 1 0 215.749 3.169 10 0 BGAERO c1csc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000041047093 183516135 /nfs/dbraw/zinc/51/61/35/183516135.db2.gz ZFUNWHBUBZPXFS-DMDPSCGWSA-N 1 0 221.369 3.069 10 0 BGAERO c1csc(CC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000041047094 343413568 /nfs/dbraw/zinc/41/35/68/343413568.db2.gz ZFUNWHBUBZPXFS-LOWVWBTDSA-N 1 0 221.369 3.069 10 0 BGAERO Fc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1C2 ZINC000041047095 181013353 /nfs/dbraw/zinc/01/33/53/181013353.db2.gz AVFVEOXJUBZBIF-MISXGVKJSA-N 1 0 219.303 3.104 10 0 BGAERO Fc1ccccc1C[NH2+][C@H]1C[C@H]2CC[C@@H]1C2 ZINC000041047096 181012813 /nfs/dbraw/zinc/01/28/13/181012813.db2.gz AVFVEOXJUBZBIF-WDMOLILDSA-N 1 0 219.303 3.104 10 0 BGAERO C1C[C@H]2C[C@@H]1[C@H]([NH2+]C1CCCCCC1)C2 ZINC000041047135 343413559 /nfs/dbraw/zinc/41/35/59/343413559.db2.gz JLVDUIYVNSUXOE-OUCADQQQSA-N 1 0 207.361 3.487 10 0 BGAERO C1C[C@H]2C[C@@H]1[C@@H]([NH2+]C1CCCCCC1)C2 ZINC000041047136 187602651 /nfs/dbraw/zinc/60/26/51/187602651.db2.gz JLVDUIYVNSUXOE-SCRDCRAPSA-N 1 0 207.361 3.487 10 0 BGAERO c1csc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000041047149 343413537 /nfs/dbraw/zinc/41/35/37/343413537.db2.gz YBCNJGQXWKBYDM-HOSYDEDBSA-N 1 0 207.342 3.026 10 0 BGAERO c1csc(C[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000041047150 343413576 /nfs/dbraw/zinc/41/35/76/343413576.db2.gz YBCNJGQXWKBYDM-UMNHJUIQSA-N 1 0 207.342 3.026 10 0 BGAERO Cc1[nH]c2ccc(NCC(C)(C)C)cc2[nH+]1 ZINC000041051367 180083456 /nfs/dbraw/zinc/08/34/56/180083456.db2.gz QXAIZQWIJOFZRN-UHFFFAOYSA-N 1 0 217.316 3.329 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000041054005 177022636 /nfs/dbraw/zinc/02/26/36/177022636.db2.gz KXWFTSWTJMHOJH-MNOVXSKESA-N 1 0 221.344 3.099 10 0 BGAERO CCc1sc([C@@H](C)[NH3+])nc1-c1ccccc1 ZINC000041059164 172129593 /nfs/dbraw/zinc/12/95/93/172129593.db2.gz VBXRVQSGJDGKMT-SECBINFHSA-N 1 0 232.352 3.392 10 0 BGAERO CC[C@@H]([NH3+])c1nc2c(s1)C[C@H](CC)CC2 ZINC000041059246 171059928 /nfs/dbraw/zinc/05/99/28/171059928.db2.gz PZXGJZHHQABGLS-RKDXNWHRSA-N 1 0 224.373 3.068 10 0 BGAERO CC[C@H]([NH3+])c1nc(-c2cccc(F)c2)cs1 ZINC000041059266 171491363 /nfs/dbraw/zinc/49/13/63/171491363.db2.gz JPVOVLAPVDWJNL-JTQLQIEISA-N 1 0 236.315 3.359 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(-c2ccccn2)cs1 ZINC000041059301 169393513 /nfs/dbraw/zinc/39/35/13/169393513.db2.gz LIUIZBGMCKDAJH-SECBINFHSA-N 1 0 233.340 3.005 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(-c2ccncc2)cs1 ZINC000041059305 169394007 /nfs/dbraw/zinc/39/40/07/169394007.db2.gz XIWNVHVFFUJXMH-SNVBAGLBSA-N 1 0 233.340 3.005 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(-c2ccco2)cs1 ZINC000041059307 169393534 /nfs/dbraw/zinc/39/35/34/169393534.db2.gz WZESIPPKQLHNAA-MRVPVSSYSA-N 1 0 222.313 3.203 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(-c2cccnc2)cs1 ZINC000041059309 169394222 /nfs/dbraw/zinc/39/42/22/169394222.db2.gz NEXAQZMPEAPGIE-SNVBAGLBSA-N 1 0 233.340 3.005 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2c(s1)C[C@H](C)CC2 ZINC000041059325 169393647 /nfs/dbraw/zinc/39/36/47/169393647.db2.gz STESLOJPZJOZAM-RKDXNWHRSA-N 1 0 224.373 3.068 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2c(s1)C[C@@H](C)CC2 ZINC000041059327 169394250 /nfs/dbraw/zinc/39/42/50/169394250.db2.gz STESLOJPZJOZAM-DTWKUNHWSA-N 1 0 224.373 3.068 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(C(C)(C)C)cs1 ZINC000041059329 169393841 /nfs/dbraw/zinc/39/38/41/169393841.db2.gz CUPZKNHWPXMHPW-MRVPVSSYSA-N 1 0 212.362 3.241 10 0 BGAERO CCC[C@@H]([NH3+])c1nc2c(s1)CCCCC2 ZINC000041059331 169393764 /nfs/dbraw/zinc/39/37/64/169393764.db2.gz IQWDOVHBKWZSED-SECBINFHSA-N 1 0 224.373 3.212 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(C(C)C)c(C)s1 ZINC000041059351 169393910 /nfs/dbraw/zinc/39/39/10/169393910.db2.gz KVXJUTKIBUPLOC-SECBINFHSA-N 1 0 212.362 3.375 10 0 BGAERO Cc1ccc(-c2csc([C@H]([NH3+])C(C)C)n2)o1 ZINC000041059374 178330317 /nfs/dbraw/zinc/33/03/17/178330317.db2.gz COUSVWCWMJBBOY-LLVKDONJSA-N 1 0 236.340 3.367 10 0 BGAERO Cc1ccc(-c2csc([C@@H]([NH3+])C(C)C)n2)o1 ZINC000041059375 178329755 /nfs/dbraw/zinc/32/97/55/178329755.db2.gz COUSVWCWMJBBOY-NSHDSACASA-N 1 0 236.340 3.367 10 0 BGAERO CC(C)[C@H]([NH3+])c1nc2c(s1)CCCCCC2 ZINC000041059376 187264067 /nfs/dbraw/zinc/26/40/67/187264067.db2.gz BLJXAJRPULKMRG-LBPRGKRZSA-N 1 0 238.400 3.458 10 0 BGAERO CC(C)[C@H]([NH3+])c1nc2c(s1)CCCCC2 ZINC000041059380 188150047 /nfs/dbraw/zinc/15/00/47/188150047.db2.gz JLBZBOMRGZIMJW-NSHDSACASA-N 1 0 224.373 3.068 10 0 BGAERO CC(C)[C@@H]([NH3+])c1nc2c(s1)CCCCC2 ZINC000041059381 187291020 /nfs/dbraw/zinc/29/10/20/187291020.db2.gz JLBZBOMRGZIMJW-LLVKDONJSA-N 1 0 224.373 3.068 10 0 BGAERO Cc1sc([C@H]([NH3+])C(C)C)nc1C(C)C ZINC000041059394 361221773 /nfs/dbraw/zinc/22/17/73/361221773.db2.gz OXLOQOSHFMMXLG-SECBINFHSA-N 1 0 212.362 3.231 10 0 BGAERO Cc1sc([C@@H]([NH3+])C(C)C)nc1C(C)C ZINC000041059395 361222101 /nfs/dbraw/zinc/22/21/01/361222101.db2.gz OXLOQOSHFMMXLG-VIFPVBQESA-N 1 0 212.362 3.231 10 0 BGAERO Cc1ccc(-c2csc(C(C)(C)[NH3+])n2)s1 ZINC000041059462 178329778 /nfs/dbraw/zinc/32/97/78/178329778.db2.gz IYLGIVORTKVKRM-UHFFFAOYSA-N 1 0 238.381 3.374 10 0 BGAERO Cc1ccccc1-c1csc(C(C)(C)[NH3+])n1 ZINC000041059470 179236356 /nfs/dbraw/zinc/23/63/56/179236356.db2.gz DMIQFVBOFPUBSC-UHFFFAOYSA-N 1 0 232.352 3.312 10 0 BGAERO CC(C)([NH3+])c1nc(-c2ccc(F)cc2)cs1 ZINC000041059476 188119079 /nfs/dbraw/zinc/11/90/79/188119079.db2.gz FOGUBGAUFFESKY-UHFFFAOYSA-N 1 0 236.315 3.143 10 0 BGAERO Cc1ccc(-c2csc(C(C)(C)[NH3+])n2)cc1 ZINC000041059489 178330679 /nfs/dbraw/zinc/33/06/79/178330679.db2.gz QPSKPKFCRBBLEU-UHFFFAOYSA-N 1 0 232.352 3.312 10 0 BGAERO CC(C)([NH3+])c1nc(C2CCCCC2)cs1 ZINC000041059504 187290963 /nfs/dbraw/zinc/29/09/63/187290963.db2.gz VELOLCGNELGYNQ-UHFFFAOYSA-N 1 0 224.373 3.385 10 0 BGAERO CC[C@@](C)([NH3+])c1nc(-c2ccc(C)o2)cs1 ZINC000041059537 171172893 /nfs/dbraw/zinc/17/28/93/171172893.db2.gz YHYVBDUGCDOYMZ-GFCCVEGCSA-N 1 0 236.340 3.295 10 0 BGAERO CC[C@@](C)([NH3+])c1nc(-c2cccs2)cs1 ZINC000041059539 171172975 /nfs/dbraw/zinc/17/29/75/171172975.db2.gz ZDQLICMQOZXRLG-LLVKDONJSA-N 1 0 238.381 3.456 10 0 BGAERO CC[C@@](C)([NH3+])c1nc(C(C)(C)C)cs1 ZINC000041059549 171173151 /nfs/dbraw/zinc/17/31/51/171173151.db2.gz DISAPYPSMHBNSZ-LLVKDONJSA-N 1 0 212.362 3.025 10 0 BGAERO CC[C@@](C)([NH3+])c1nc(-c2ccccc2)cs1 ZINC000041059555 171172197 /nfs/dbraw/zinc/17/21/97/171172197.db2.gz XOIULNZZOCIOFA-CYBMUJFWSA-N 1 0 232.352 3.394 10 0 BGAERO CC[C@](C)([NH3+])c1nc(C(C)C)c(C)s1 ZINC000041059572 171696673 /nfs/dbraw/zinc/69/66/73/171696673.db2.gz SXTZPUPEZQVKKL-NSHDSACASA-N 1 0 212.362 3.159 10 0 BGAERO CC[C@@](C)([NH3+])c1nc(C(C)C)c(C)s1 ZINC000041059573 171172981 /nfs/dbraw/zinc/17/29/81/171172981.db2.gz SXTZPUPEZQVKKL-LLVKDONJSA-N 1 0 212.362 3.159 10 0 BGAERO Cc1nc([C@]2([NH3+])CCC[C@H](C)C2)sc1C ZINC000041059648 180060752 /nfs/dbraw/zinc/06/07/52/180060752.db2.gz UYFOKTNRXNYULS-UFBFGSQYSA-N 1 0 224.373 3.124 10 0 BGAERO Cc1nc([C@@]2([NH3+])CCC[C@H](C)C2)sc1C ZINC000041059649 180046770 /nfs/dbraw/zinc/04/67/70/180046770.db2.gz UYFOKTNRXNYULS-QPUJVOFHSA-N 1 0 224.373 3.124 10 0 BGAERO Cc1nc([C@]2([NH3+])CCC[C@@H](C)C2)sc1C ZINC000041059650 180059153 /nfs/dbraw/zinc/05/91/53/180059153.db2.gz UYFOKTNRXNYULS-PELKAZGASA-N 1 0 224.373 3.124 10 0 BGAERO Cc1nc([C@@]2([NH3+])CCC[C@@H](C)C2)sc1C ZINC000041059651 180047657 /nfs/dbraw/zinc/04/76/57/180047657.db2.gz UYFOKTNRXNYULS-PRHODGIISA-N 1 0 224.373 3.124 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000041059660 166695937 /nfs/dbraw/zinc/69/59/37/166695937.db2.gz CSWIKTMIIOSFLX-JTQLQIEISA-N 1 0 224.373 3.068 10 0 BGAERO CCc1nc([C@H]([NH3+])C(C)(C)C)sc1C ZINC000041059671 172007319 /nfs/dbraw/zinc/00/73/19/172007319.db2.gz WCFZORFCEATGPX-VIFPVBQESA-N 1 0 212.362 3.060 10 0 BGAERO CCc1nc([C@@H]([NH3+])C(C)(C)C)sc1C ZINC000041059672 172002674 /nfs/dbraw/zinc/00/26/74/172002674.db2.gz WCFZORFCEATGPX-SECBINFHSA-N 1 0 212.362 3.060 10 0 BGAERO C[C@@H]1CCc2nc([C@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059673 176240276 /nfs/dbraw/zinc/24/02/76/176240276.db2.gz XWJUOIDTHPJJAD-KCJUWKMLSA-N 1 0 238.400 3.314 10 0 BGAERO C[C@H]1CCc2nc([C@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059674 177209995 /nfs/dbraw/zinc/20/99/95/177209995.db2.gz XWJUOIDTHPJJAD-KWQFWETISA-N 1 0 238.400 3.314 10 0 BGAERO C[C@@H]1CCc2nc([C@@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059675 176240448 /nfs/dbraw/zinc/24/04/48/176240448.db2.gz XWJUOIDTHPJJAD-LDYMZIIASA-N 1 0 238.400 3.314 10 0 BGAERO C[C@H]1CCc2nc([C@@H]([NH3+])C(C)(C)C)sc2C1 ZINC000041059676 177209913 /nfs/dbraw/zinc/20/99/13/177209913.db2.gz XWJUOIDTHPJJAD-GZMMTYOYSA-N 1 0 238.400 3.314 10 0 BGAERO CC(C)c1csc([C@H]([NH3+])C(C)(C)C)n1 ZINC000041059683 361222464 /nfs/dbraw/zinc/22/24/64/361222464.db2.gz WMWWVBVLUGDUBN-VIFPVBQESA-N 1 0 212.362 3.312 10 0 BGAERO CC(C)c1csc([C@@H]([NH3+])C(C)(C)C)n1 ZINC000041059684 361222414 /nfs/dbraw/zinc/22/24/14/361222414.db2.gz WMWWVBVLUGDUBN-SECBINFHSA-N 1 0 212.362 3.312 10 0 BGAERO CCc1nc([C@H]([NH3+])c2ccccc2)sc1C ZINC000041059699 172007721 /nfs/dbraw/zinc/00/77/21/172007721.db2.gz ICCXEZIXMZTNHB-GFCCVEGCSA-N 1 0 232.352 3.062 10 0 BGAERO CCc1nc([C@@H]([NH3+])c2ccccc2)sc1C ZINC000041059700 172004395 /nfs/dbraw/zinc/00/43/95/172004395.db2.gz ICCXEZIXMZTNHB-LBPRGKRZSA-N 1 0 232.352 3.062 10 0 BGAERO CCc1ccc([C@@H]([NH3+])c2nc(C)cs2)cc1 ZINC000041059727 171834470 /nfs/dbraw/zinc/83/44/70/171834470.db2.gz AXNKKWVBQCEQOC-GFCCVEGCSA-N 1 0 232.352 3.062 10 0 BGAERO Cc1csc([C@H]([NH3+])C2CCCCC2)n1 ZINC000041059743 361221354 /nfs/dbraw/zinc/22/13/54/361221354.db2.gz HVKCYSXXXNGZMB-SNVBAGLBSA-N 1 0 210.346 3.032 10 0 BGAERO Cc1csc([C@@H]([NH3+])C2CCCCC2)n1 ZINC000041059744 361221651 /nfs/dbraw/zinc/22/16/51/361221651.db2.gz HVKCYSXXXNGZMB-JTQLQIEISA-N 1 0 210.346 3.032 10 0 BGAERO [NH3+]C1(c2nccs2)CCCCCCC1 ZINC000041059901 181335137 /nfs/dbraw/zinc/33/51/37/181335137.db2.gz DUBMXQFGXMLYBW-UHFFFAOYSA-N 1 0 210.346 3.041 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(c2nccs2)C1 ZINC000041059911 176052206 /nfs/dbraw/zinc/05/22/06/176052206.db2.gz SJOZRDWZHQVFNA-SKDRFNHKSA-N 1 0 224.373 3.143 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(c2nccs2)C1 ZINC000041059912 177063745 /nfs/dbraw/zinc/06/37/45/177063745.db2.gz SJOZRDWZHQVFNA-CABZTGNLSA-N 1 0 224.373 3.143 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2nccs2)C1 ZINC000041059913 176052577 /nfs/dbraw/zinc/05/25/77/176052577.db2.gz SJOZRDWZHQVFNA-BXKDBHETSA-N 1 0 224.373 3.143 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(c2nccs2)C1 ZINC000041059914 177063722 /nfs/dbraw/zinc/06/37/22/177063722.db2.gz SJOZRDWZHQVFNA-JOYOIKCWSA-N 1 0 224.373 3.143 10 0 BGAERO Cc1nc([C@](C)([NH3+])CCC(C)C)sc1C ZINC000041059975 180056658 /nfs/dbraw/zinc/05/66/58/180056658.db2.gz KLWWQJIXELRZOS-GFCCVEGCSA-N 1 0 226.389 3.370 10 0 BGAERO Cc1nc([C@@](C)([NH3+])CCC(C)C)sc1C ZINC000041059976 180045822 /nfs/dbraw/zinc/04/58/22/180045822.db2.gz KLWWQJIXELRZOS-LBPRGKRZSA-N 1 0 226.389 3.370 10 0 BGAERO Cc1nc([C@]2([NH3+])CCCC[C@@H]2C)sc1C ZINC000041059987 180060608 /nfs/dbraw/zinc/06/06/08/180060608.db2.gz CJODOKVRBVGGMY-UFBFGSQYSA-N 1 0 224.373 3.124 10 0 BGAERO Cc1nc([C@@]2([NH3+])CCCC[C@@H]2C)sc1C ZINC000041059988 180047385 /nfs/dbraw/zinc/04/73/85/180047385.db2.gz CJODOKVRBVGGMY-QPUJVOFHSA-N 1 0 224.373 3.124 10 0 BGAERO Cc1nc([C@]2([NH3+])CCCC[C@H]2C)sc1C ZINC000041059989 180059136 /nfs/dbraw/zinc/05/91/36/180059136.db2.gz CJODOKVRBVGGMY-PELKAZGASA-N 1 0 224.373 3.124 10 0 BGAERO Cc1nc([C@@]2([NH3+])CCCC[C@H]2C)sc1C ZINC000041059990 180047611 /nfs/dbraw/zinc/04/76/11/180047611.db2.gz CJODOKVRBVGGMY-PRHODGIISA-N 1 0 224.373 3.124 10 0 BGAERO Cc1nc([C@H]([NH3+])C2CCCCC2)sc1C ZINC000041059991 180053396 /nfs/dbraw/zinc/05/33/96/180053396.db2.gz UQNZMRFJQLPATR-LLVKDONJSA-N 1 0 224.373 3.340 10 0 BGAERO Cc1nc([C@@H]([NH3+])C2CCCCC2)sc1C ZINC000041059992 180039859 /nfs/dbraw/zinc/03/98/59/180039859.db2.gz UQNZMRFJQLPATR-NSHDSACASA-N 1 0 224.373 3.340 10 0 BGAERO CC(C)c1csc([C@](C)([NH3+])C(C)C)n1 ZINC000041060044 361240504 /nfs/dbraw/zinc/24/05/04/361240504.db2.gz ZWUKNHJNTQSZPM-LLVKDONJSA-N 1 0 212.362 3.096 10 0 BGAERO CC(C)c1csc([C@@](C)([NH3+])C(C)C)n1 ZINC000041060045 361240541 /nfs/dbraw/zinc/24/05/41/361240541.db2.gz ZWUKNHJNTQSZPM-NSHDSACASA-N 1 0 212.362 3.096 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1nc(C(C)C)cs1 ZINC000041060080 171397795 /nfs/dbraw/zinc/39/77/95/171397795.db2.gz MYYNKVJBKCLAPP-WPRPVWTQSA-N 1 0 212.362 3.312 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1nc(C(C)C)cs1 ZINC000041060082 171371950 /nfs/dbraw/zinc/37/19/50/171371950.db2.gz MYYNKVJBKCLAPP-WCBMZHEXSA-N 1 0 212.362 3.312 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000041060210 171397552 /nfs/dbraw/zinc/39/75/52/171397552.db2.gz PVFROHCGNXAVLI-KWQFWETISA-N 1 0 224.373 3.068 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000041060212 171372710 /nfs/dbraw/zinc/37/27/10/171372710.db2.gz PVFROHCGNXAVLI-GZMMTYOYSA-N 1 0 224.373 3.068 10 0 BGAERO CCCC[C@H]([NH3+])c1nc2c(s1)CCCC2 ZINC000041060213 169009183 /nfs/dbraw/zinc/00/91/83/169009183.db2.gz OWXBCZFONGHWTL-VIFPVBQESA-N 1 0 224.373 3.212 10 0 BGAERO CCc1nc([C@H]([NH3+])CC(C)C)sc1C ZINC000041060246 172007716 /nfs/dbraw/zinc/00/77/16/172007716.db2.gz GZYHFROIAAXNNF-SECBINFHSA-N 1 0 212.362 3.060 10 0 BGAERO CCc1nc([C@@H]([NH3+])CC(C)C)sc1C ZINC000041060247 172003750 /nfs/dbraw/zinc/00/37/50/172003750.db2.gz GZYHFROIAAXNNF-VIFPVBQESA-N 1 0 212.362 3.060 10 0 BGAERO CCc1nc([C@H]([NH3+])[C@@H](C)CC)sc1C ZINC000041060265 172007857 /nfs/dbraw/zinc/00/78/57/172007857.db2.gz QLXAPBHEURNARQ-OIBJUYFYSA-N 1 0 212.362 3.060 10 0 BGAERO CCc1nc([C@@H]([NH3+])[C@@H](C)CC)sc1C ZINC000041060266 172004742 /nfs/dbraw/zinc/00/47/42/172004742.db2.gz QLXAPBHEURNARQ-XVKPBYJWSA-N 1 0 212.362 3.060 10 0 BGAERO CCc1nc([C@H]([NH3+])[C@H](C)CC)sc1C ZINC000041060267 172007853 /nfs/dbraw/zinc/00/78/53/172007853.db2.gz QLXAPBHEURNARQ-GMSGAONNSA-N 1 0 212.362 3.060 10 0 BGAERO CCc1nc([C@@H]([NH3+])[C@H](C)CC)sc1C ZINC000041060268 172003912 /nfs/dbraw/zinc/00/39/12/172003912.db2.gz QLXAPBHEURNARQ-XCBNKYQSSA-N 1 0 212.362 3.060 10 0 BGAERO C[NH2+]C1(c2nccs2)CCCCCCC1 ZINC000041060382 173321854 /nfs/dbraw/zinc/32/18/54/173321854.db2.gz UWHQLYFHPZSSOA-UHFFFAOYSA-N 1 0 224.373 3.302 10 0 BGAERO C[NH2+][C@H](c1nccs1)c1ccc(C)c(C)c1 ZINC000041060411 173427454 /nfs/dbraw/zinc/42/74/54/173427454.db2.gz ULFIIHYOOUYASP-LBPRGKRZSA-N 1 0 232.352 3.069 10 0 BGAERO C[NH2+]C1(c2nc(C)cs2)CCC(C)CC1 ZINC000041060492 173321890 /nfs/dbraw/zinc/32/18/90/173321890.db2.gz GKJPVSUWKHYOTN-UHFFFAOYSA-N 1 0 224.373 3.076 10 0 BGAERO C[NH2+]C1(c2nc(C)cs2)CCCCCC1 ZINC000041060493 173322130 /nfs/dbraw/zinc/32/21/30/173322130.db2.gz ZHTZLSGJUAKECD-UHFFFAOYSA-N 1 0 224.373 3.220 10 0 BGAERO C[NH2+]C1(c2nc(C)c(C)s2)CCC(C)CC1 ZINC000041060603 173322331 /nfs/dbraw/zinc/32/23/31/173322331.db2.gz QVTZSBVVHZHEAL-UHFFFAOYSA-N 1 0 238.400 3.385 10 0 BGAERO C[NH2+]C1(c2nc(C)c(C)s2)CCCCC1 ZINC000041060617 173322284 /nfs/dbraw/zinc/32/22/84/173322284.db2.gz FUJDDSQRYARWHC-UHFFFAOYSA-N 1 0 224.373 3.139 10 0 BGAERO CC[C@H](C)[C@@](C)([NH2+]C)c1nc(C)c(C)s1 ZINC000041060631 171382205 /nfs/dbraw/zinc/38/22/05/171382205.db2.gz MKSMIDAHKVQMQA-QPUJVOFHSA-N 1 0 226.389 3.241 10 0 BGAERO CC[C@@]([NH2+]C)(c1nc(C)c(C)s1)C(C)C ZINC000041060632 171195119 /nfs/dbraw/zinc/19/51/19/171195119.db2.gz PKUJQCQHPVNTGW-LBPRGKRZSA-N 1 0 226.389 3.241 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1nc(C)c(C)s1 ZINC000041060642 171399149 /nfs/dbraw/zinc/39/91/49/171399149.db2.gz SNVLEBOTGPTZGD-XVKPBYJWSA-N 1 0 212.362 3.067 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1nc(C)c(C)s1 ZINC000041060644 171374010 /nfs/dbraw/zinc/37/40/10/171374010.db2.gz SNVLEBOTGPTZGD-OIBJUYFYSA-N 1 0 212.362 3.067 10 0 BGAERO C[NH2+][C@@H](c1nc(C)c(C)s1)C(C)(C)C ZINC000041060645 388017979 /nfs/dbraw/zinc/01/79/79/388017979.db2.gz BXARRWYVHWQLGX-VIFPVBQESA-N 1 0 212.362 3.067 10 0 BGAERO C[NH2+][C@H](c1nc(C)c(C)s1)C(C)(C)C ZINC000041060646 388017886 /nfs/dbraw/zinc/01/78/86/388017886.db2.gz BXARRWYVHWQLGX-SECBINFHSA-N 1 0 212.362 3.067 10 0 BGAERO CCc1nc([C@H]([NH2+]C)C(C)(C)C)sc1C ZINC000041060703 172007163 /nfs/dbraw/zinc/00/71/63/172007163.db2.gz IPEBNOGEAXUDHD-JTQLQIEISA-N 1 0 226.389 3.321 10 0 BGAERO CCc1nc([C@@H]([NH2+]C)C(C)(C)C)sc1C ZINC000041060704 172004923 /nfs/dbraw/zinc/00/49/23/172004923.db2.gz IPEBNOGEAXUDHD-SNVBAGLBSA-N 1 0 226.389 3.321 10 0 BGAERO CC[C@@](C)([NH2+]C)c1nc(C(C)C)cs1 ZINC000041060713 171174209 /nfs/dbraw/zinc/17/42/09/171174209.db2.gz OEDHACIHIDMUAS-LLVKDONJSA-N 1 0 212.362 3.111 10 0 BGAERO C[NH2+]C1(c2nc(C(C)C)cs2)CCCC1 ZINC000041060727 173322290 /nfs/dbraw/zinc/32/22/90/173322290.db2.gz NALLDYCJYZXMJN-UHFFFAOYSA-N 1 0 224.373 3.255 10 0 BGAERO C[NH2+]C1(c2nc(C(C)(C)C)cs2)CCC1 ZINC000041060781 173322071 /nfs/dbraw/zinc/32/20/71/173322071.db2.gz FUPZCLSURKSRQL-UHFFFAOYSA-N 1 0 224.373 3.039 10 0 BGAERO CC[C@@H]([NH2+]C)c1nc(C(C)(C)C)cs1 ZINC000041060783 170888089 /nfs/dbraw/zinc/88/80/89/170888089.db2.gz KDGCUUWFGMGNDB-MRVPVSSYSA-N 1 0 212.362 3.111 10 0 BGAERO C[NH2+][C@H](c1nc(C(C)(C)C)cs1)C1CC1 ZINC000041060789 173458787 /nfs/dbraw/zinc/45/87/87/173458787.db2.gz LGHLMPWUGWWHKT-JTQLQIEISA-N 1 0 224.373 3.111 10 0 BGAERO CCC[C@@H]([NH2+]C)c1nc2c(s1)CCCC2 ZINC000041060877 169399866 /nfs/dbraw/zinc/39/98/66/169399866.db2.gz HLYWGINBTIQHDY-SNVBAGLBSA-N 1 0 224.373 3.083 10 0 BGAERO CC[NH2+][C@H](c1nccs1)c1cccc(C)c1 ZINC000041060912 170148643 /nfs/dbraw/zinc/14/86/43/170148643.db2.gz TVFDXNSIHHPTIY-LBPRGKRZSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1nccs1)c1cccc(C)c1 ZINC000041060913 170164406 /nfs/dbraw/zinc/16/44/06/170164406.db2.gz TVFDXNSIHHPTIY-GFCCVEGCSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@]1(c2nccs2)CCCC[C@@H]1C ZINC000041060920 170170767 /nfs/dbraw/zinc/17/07/67/170170767.db2.gz JPMOQSRPBVUGGB-CMPLNLGQSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@@]1(c2nccs2)CCCC[C@@H]1C ZINC000041060921 170156173 /nfs/dbraw/zinc/15/61/73/170156173.db2.gz JPMOQSRPBVUGGB-JQWIXIFHSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@]1(c2nccs2)CCCC[C@H]1C ZINC000041060922 170170394 /nfs/dbraw/zinc/17/03/94/170170394.db2.gz JPMOQSRPBVUGGB-ZYHUDNBSSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@@]1(c2nccs2)CCCC[C@H]1C ZINC000041060923 170156159 /nfs/dbraw/zinc/15/61/59/170156159.db2.gz JPMOQSRPBVUGGB-PWSUYJOCSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@]1(c2nccs2)CCC[C@H](C)C1 ZINC000041060924 170170634 /nfs/dbraw/zinc/17/06/34/170170634.db2.gz BJRWIHMTOIDELE-CMPLNLGQSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@@]1(c2nccs2)CCC[C@H](C)C1 ZINC000041060925 170155932 /nfs/dbraw/zinc/15/59/32/170155932.db2.gz BJRWIHMTOIDELE-JQWIXIFHSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@]1(c2nccs2)CCC[C@@H](C)C1 ZINC000041060926 170170530 /nfs/dbraw/zinc/17/05/30/170170530.db2.gz BJRWIHMTOIDELE-ZYHUDNBSSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@@]1(c2nccs2)CCC[C@@H](C)C1 ZINC000041060927 170156253 /nfs/dbraw/zinc/15/62/53/170156253.db2.gz BJRWIHMTOIDELE-PWSUYJOCSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@@H](c1nccs1)C1CCCCC1 ZINC000041060928 170149315 /nfs/dbraw/zinc/14/93/15/170149315.db2.gz YWXNUMVMRIKCJU-LLVKDONJSA-N 1 0 224.373 3.374 10 0 BGAERO CC[NH2+][C@H](c1nccs1)C1CCCCC1 ZINC000041060929 170164748 /nfs/dbraw/zinc/16/47/48/170164748.db2.gz YWXNUMVMRIKCJU-NSHDSACASA-N 1 0 224.373 3.374 10 0 BGAERO CC[NH2+]C1(c2nccs2)CCC(C)CC1 ZINC000041060937 170108310 /nfs/dbraw/zinc/10/83/10/170108310.db2.gz ATJGFBLAAFWTNW-UHFFFAOYSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+]C1(c2nccs2)CCCCCC1 ZINC000041060938 170108261 /nfs/dbraw/zinc/10/82/61/170108261.db2.gz UBEKPYNHGTWYPN-UHFFFAOYSA-N 1 0 224.373 3.302 10 0 BGAERO CC[NH2+][C@H](c1nccs1)c1ccccc1C ZINC000041060948 170165395 /nfs/dbraw/zinc/16/53/95/170165395.db2.gz XZWHUMNAMIMTDW-LBPRGKRZSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1nccs1)c1ccccc1C ZINC000041060949 170149146 /nfs/dbraw/zinc/14/91/46/170149146.db2.gz XZWHUMNAMIMTDW-GFCCVEGCSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@H](c1nccs1)c1ccc(C)cc1 ZINC000041060950 170146975 /nfs/dbraw/zinc/14/69/75/170146975.db2.gz LVWNRBMFNUVAEL-LBPRGKRZSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1nccs1)c1ccc(C)cc1 ZINC000041060951 170163143 /nfs/dbraw/zinc/16/31/43/170163143.db2.gz LVWNRBMFNUVAEL-GFCCVEGCSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@H](c1nc(C)cs1)c1ccccc1 ZINC000041061021 170148448 /nfs/dbraw/zinc/14/84/48/170148448.db2.gz NLZHKOHOSIUIDU-LBPRGKRZSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1nc(C)cs1)c1ccccc1 ZINC000041061022 170165055 /nfs/dbraw/zinc/16/50/55/170165055.db2.gz NLZHKOHOSIUIDU-GFCCVEGCSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@]1(c2nc(C)cs2)CCCC[C@@H]1C ZINC000041061033 170170128 /nfs/dbraw/zinc/17/01/28/170170128.db2.gz GOKAEIKPERIVFR-GXFFZTMASA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+][C@@]1(c2nc(C)cs2)CCCC[C@@H]1C ZINC000041061034 170155744 /nfs/dbraw/zinc/15/57/44/170155744.db2.gz GOKAEIKPERIVFR-GWCFXTLKSA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+][C@]1(c2nc(C)cs2)CCCC[C@H]1C ZINC000041061035 170170866 /nfs/dbraw/zinc/17/08/66/170170866.db2.gz GOKAEIKPERIVFR-ZWNOBZJWSA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+][C@@]1(c2nc(C)cs2)CCCC[C@H]1C ZINC000041061036 170156298 /nfs/dbraw/zinc/15/62/98/170156298.db2.gz GOKAEIKPERIVFR-MFKMUULPSA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+][C@]1(c2nc(C)cs2)CCC[C@H](C)C1 ZINC000041061037 170170692 /nfs/dbraw/zinc/17/06/92/170170692.db2.gz JODJFXMDHVUPPT-GXFFZTMASA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+][C@@]1(c2nc(C)cs2)CCC[C@H](C)C1 ZINC000041061038 170156216 /nfs/dbraw/zinc/15/62/16/170156216.db2.gz JODJFXMDHVUPPT-GWCFXTLKSA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+][C@]1(c2nc(C)cs2)CCC[C@@H](C)C1 ZINC000041061039 170170349 /nfs/dbraw/zinc/17/03/49/170170349.db2.gz JODJFXMDHVUPPT-ZWNOBZJWSA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+][C@@]1(c2nc(C)cs2)CCC[C@@H](C)C1 ZINC000041061040 170156093 /nfs/dbraw/zinc/15/60/93/170156093.db2.gz JODJFXMDHVUPPT-MFKMUULPSA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+]C1(c2nc(C)cs2)CCC(C)CC1 ZINC000041061048 170108724 /nfs/dbraw/zinc/10/87/24/170108724.db2.gz UPZISEVWKVXSQH-UHFFFAOYSA-N 1 0 238.400 3.466 10 0 BGAERO CC[NH2+]C1(c2nc(C)cs2)CCCCC1 ZINC000041061062 170108499 /nfs/dbraw/zinc/10/84/99/170108499.db2.gz NUIYJCCHMQHFKP-UHFFFAOYSA-N 1 0 224.373 3.220 10 0 BGAERO CC[NH2+][C@@H](c1nc(C)cs1)C(C)(C)C ZINC000041061090 170149264 /nfs/dbraw/zinc/14/92/64/170149264.db2.gz CBOQNZPNZUPQHX-VIFPVBQESA-N 1 0 212.362 3.148 10 0 BGAERO CC[NH2+][C@H](c1nc(C)cs1)C(C)(C)C ZINC000041061091 170165053 /nfs/dbraw/zinc/16/50/53/170165053.db2.gz CBOQNZPNZUPQHX-SECBINFHSA-N 1 0 212.362 3.148 10 0 BGAERO CC[NH2+][C@](C)(c1nc(C)c(C)s1)C(C)C ZINC000041061104 170170671 /nfs/dbraw/zinc/17/06/71/170170671.db2.gz HVPYDOJXRVKXIT-LBPRGKRZSA-N 1 0 226.389 3.241 10 0 BGAERO CC[NH2+]C1(c2nc(C)c(C)s2)CCCC1 ZINC000041061114 170108699 /nfs/dbraw/zinc/10/86/99/170108699.db2.gz XLTFRKHBMBETEH-UHFFFAOYSA-N 1 0 224.373 3.139 10 0 BGAERO CC[NH2+][C@@H](c1nc(C)c(C)s1)C(C)C ZINC000041061140 170149269 /nfs/dbraw/zinc/14/92/69/170149269.db2.gz BRHBNTDBLCAXRY-SNVBAGLBSA-N 1 0 212.362 3.067 10 0 BGAERO CC[NH2+][C@H](c1nc(C)c(C)s1)C(C)C ZINC000041061141 170165025 /nfs/dbraw/zinc/16/50/25/170165025.db2.gz BRHBNTDBLCAXRY-JTQLQIEISA-N 1 0 212.362 3.067 10 0 BGAERO CC[NH2+][C@@H](c1nc(C)c(C)s1)C(C)(C)C ZINC000041061148 170149574 /nfs/dbraw/zinc/14/95/74/170149574.db2.gz YYDKKHMRFIYAEV-JTQLQIEISA-N 1 0 226.389 3.457 10 0 BGAERO CC[NH2+][C@H](c1nc(C)c(C)s1)C(C)(C)C ZINC000041061149 170165148 /nfs/dbraw/zinc/16/51/48/170165148.db2.gz YYDKKHMRFIYAEV-SNVBAGLBSA-N 1 0 226.389 3.457 10 0 BGAERO CC[NH2+]C1(c2nc(CC)c(C)s2)CCC1 ZINC000041061168 170108772 /nfs/dbraw/zinc/10/87/72/170108772.db2.gz FGOGTQQPAXVMHR-UHFFFAOYSA-N 1 0 224.373 3.003 10 0 BGAERO CC[NH2+]C(C)(C)c1nc(C(C)C)cs1 ZINC000041061197 170107018 /nfs/dbraw/zinc/10/70/18/170107018.db2.gz XQEPPQDCQCPCRA-UHFFFAOYSA-N 1 0 212.362 3.111 10 0 BGAERO CC[NH2+]C1(c2nc(C(C)C)cs2)CCC1 ZINC000041061204 170108757 /nfs/dbraw/zinc/10/87/57/170108757.db2.gz PBBKVRDOGUTKGI-UHFFFAOYSA-N 1 0 224.373 3.255 10 0 BGAERO CC[NH2+][C@@H](c1nc2c(s1)CCC2)C(C)(C)C ZINC000041061271 170149744 /nfs/dbraw/zinc/14/97/44/170149744.db2.gz ZHDYRNBBTVQBSW-NSHDSACASA-N 1 0 238.400 3.329 10 0 BGAERO CC[NH2+][C@H](c1nc2c(s1)CCC2)C(C)(C)C ZINC000041061272 170164689 /nfs/dbraw/zinc/16/46/89/170164689.db2.gz ZHDYRNBBTVQBSW-LLVKDONJSA-N 1 0 238.400 3.329 10 0 BGAERO CC[NH2+][C@@H](CC)c1nc2c(s1)CCCC2 ZINC000041061281 170143953 /nfs/dbraw/zinc/14/39/53/170143953.db2.gz NTKWOJVTAAXRDO-VIFPVBQESA-N 1 0 224.373 3.083 10 0 BGAERO CC[NH2+][C@H](CC)c1nc2c(s1)CCCC2 ZINC000041061282 170161954 /nfs/dbraw/zinc/16/19/54/170161954.db2.gz NTKWOJVTAAXRDO-SECBINFHSA-N 1 0 224.373 3.083 10 0 BGAERO CCC[NH2+]C1(c2nccs2)CCCCC1 ZINC000041061290 169254087 /nfs/dbraw/zinc/25/40/87/169254087.db2.gz UDAHXTKADZVREQ-UHFFFAOYSA-N 1 0 224.373 3.302 10 0 BGAERO CCC[NH2+]C1(c2nc(C)c(C)s2)CCC1 ZINC000041061429 169255088 /nfs/dbraw/zinc/25/50/88/169255088.db2.gz STBXPZSBPOMILQ-UHFFFAOYSA-N 1 0 224.373 3.139 10 0 BGAERO CC(C)[NH2+][C@](C)(c1nccs1)C(C)C ZINC000041061521 167141696 /nfs/dbraw/zinc/14/16/96/167141696.db2.gz VSESDIZFPBTXHU-NSHDSACASA-N 1 0 212.362 3.012 10 0 BGAERO CC(C)[NH2+]C1(c2nccs2)CCCCC1 ZINC000041061555 167094793 /nfs/dbraw/zinc/09/47/93/167094793.db2.gz NNFUSGQVTJFCGU-UHFFFAOYSA-N 1 0 224.373 3.301 10 0 BGAERO CC(C)[NH2+][C@@H](c1nccs1)C(C)(C)C ZINC000041061583 167134475 /nfs/dbraw/zinc/13/44/75/167134475.db2.gz SWJRIYIOJKDUSS-VIFPVBQESA-N 1 0 212.362 3.228 10 0 BGAERO CC(C)[NH2+][C@H](c1nccs1)C(C)(C)C ZINC000041061584 167139478 /nfs/dbraw/zinc/13/94/78/167139478.db2.gz SWJRIYIOJKDUSS-SECBINFHSA-N 1 0 212.362 3.228 10 0 BGAERO CC[C@@](C)([NH2+]C(C)C)c1nc(C)cs1 ZINC000041061600 171173589 /nfs/dbraw/zinc/17/35/89/171173589.db2.gz JOQJHROREBFTJX-LLVKDONJSA-N 1 0 212.362 3.075 10 0 BGAERO CC[C@@](C)([NH2+]C(C)C)c1nc(C)c(C)s1 ZINC000041061658 171173604 /nfs/dbraw/zinc/17/36/04/171173604.db2.gz XFPAJWPACSQEGK-GFCCVEGCSA-N 1 0 226.389 3.383 10 0 BGAERO Cc1nc([C@H]([NH2+]C(C)C)C2CC2)sc1C ZINC000041061675 180055386 /nfs/dbraw/zinc/05/53/86/180055386.db2.gz UHKBSTILKNPVFA-LLVKDONJSA-N 1 0 224.373 3.209 10 0 BGAERO Cc1nc([C@@H]([NH2+]C(C)C)C2CC2)sc1C ZINC000041061676 180041688 /nfs/dbraw/zinc/04/16/88/180041688.db2.gz UHKBSTILKNPVFA-NSHDSACASA-N 1 0 224.373 3.209 10 0 BGAERO Cc1nc([C@H]([NH2+]C(C)C)C(C)C)sc1C ZINC000041061677 180055580 /nfs/dbraw/zinc/05/55/80/180055580.db2.gz AZBBYVWNODHSIK-LLVKDONJSA-N 1 0 226.389 3.455 10 0 BGAERO Cc1nc([C@@H]([NH2+]C(C)C)C(C)C)sc1C ZINC000041061678 180042998 /nfs/dbraw/zinc/04/29/98/180042998.db2.gz AZBBYVWNODHSIK-NSHDSACASA-N 1 0 226.389 3.455 10 0 BGAERO Cc1nc([C@](C)([NH2+]C(C)C)C2CC2)sc1C ZINC000041061688 180058457 /nfs/dbraw/zinc/05/84/57/180058457.db2.gz YPQGPSJWPIMDJH-CYBMUJFWSA-N 1 0 238.400 3.383 10 0 BGAERO Cc1nc([C@@](C)([NH2+]C(C)C)C2CC2)sc1C ZINC000041061689 180047145 /nfs/dbraw/zinc/04/71/45/180047145.db2.gz YPQGPSJWPIMDJH-ZDUSSCGKSA-N 1 0 238.400 3.383 10 0 BGAERO CCc1nc([C@@H](C)[NH2+]C(C)C)sc1C ZINC000041061697 172001845 /nfs/dbraw/zinc/00/18/45/172001845.db2.gz JQQYQDUEZJFONI-MRVPVSSYSA-N 1 0 212.362 3.073 10 0 BGAERO CCc1nc([C@H](C)[NH2+]C(C)C)sc1C ZINC000041061698 172005616 /nfs/dbraw/zinc/00/56/16/172005616.db2.gz JQQYQDUEZJFONI-QMMMGPOBSA-N 1 0 212.362 3.073 10 0 BGAERO CC(C)[NH2+][C@H](C)c1nc(C(C)C)cs1 ZINC000041061711 167137739 /nfs/dbraw/zinc/13/77/39/167137739.db2.gz HBYPMKDAJFAGEA-SECBINFHSA-N 1 0 212.362 3.326 10 0 BGAERO CC(C)[NH2+][C@@H](C)c1nc(C(C)C)cs1 ZINC000041061712 167133314 /nfs/dbraw/zinc/13/33/14/167133314.db2.gz HBYPMKDAJFAGEA-VIFPVBQESA-N 1 0 212.362 3.326 10 0 BGAERO CC(C)[NH2+][C@@H](C)c1nc2c(s1)CCCC2 ZINC000041061741 167133335 /nfs/dbraw/zinc/13/33/35/167133335.db2.gz PRVCAKMBXAMYNJ-VIFPVBQESA-N 1 0 224.373 3.081 10 0 BGAERO CC(C)[NH2+][C@H](C)c1nc2c(s1)CCCC2 ZINC000041061742 167138475 /nfs/dbraw/zinc/13/84/75/167138475.db2.gz PRVCAKMBXAMYNJ-SECBINFHSA-N 1 0 224.373 3.081 10 0 BGAERO Cc1csc([C@](C)([NH2+]C2CC2)C(C)C)n1 ZINC000041061835 179797239 /nfs/dbraw/zinc/79/72/39/179797239.db2.gz QXXUSSZDZRFWLH-GFCCVEGCSA-N 1 0 224.373 3.075 10 0 BGAERO CC[C@@](C)([NH2+]C1CC1)c1nc(C)c(C)s1 ZINC000041061888 171174659 /nfs/dbraw/zinc/17/46/59/171174659.db2.gz HCGJAYPUKBLBHP-GFCCVEGCSA-N 1 0 224.373 3.137 10 0 BGAERO Cc1nc([C@](C)([NH2+]C2CC2)C(C)C)sc1C ZINC000041061889 180058073 /nfs/dbraw/zinc/05/80/73/180058073.db2.gz WFGKTBSUVROGQQ-CYBMUJFWSA-N 1 0 238.400 3.383 10 0 BGAERO Cc1nc([C@@](C)([NH2+]C2CC2)C(C)C)sc1C ZINC000041061890 180047095 /nfs/dbraw/zinc/04/70/95/180047095.db2.gz WFGKTBSUVROGQQ-ZDUSSCGKSA-N 1 0 238.400 3.383 10 0 BGAERO Cc1nc([C@H]([NH2+]C2CC2)C(C)C)sc1C ZINC000041061911 180054228 /nfs/dbraw/zinc/05/42/28/180054228.db2.gz NOSMGEWIWJYGLM-LLVKDONJSA-N 1 0 224.373 3.209 10 0 BGAERO Cc1nc([C@@H]([NH2+]C2CC2)C(C)C)sc1C ZINC000041061912 180041299 /nfs/dbraw/zinc/04/12/99/180041299.db2.gz NOSMGEWIWJYGLM-NSHDSACASA-N 1 0 224.373 3.209 10 0 BGAERO CC(C)c1csc(C(C)(C)[NH2+]C2CC2)n1 ZINC000041061937 167653154 /nfs/dbraw/zinc/65/31/54/167653154.db2.gz IOUMJTDBOBIWJF-UHFFFAOYSA-N 1 0 224.373 3.254 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(-c2cccs2)c(C)[nH]1 ZINC000041062178 169393657 /nfs/dbraw/zinc/39/36/57/169393657.db2.gz BJZMXFWLNWTYGL-SECBINFHSA-N 1 0 235.356 3.247 10 0 BGAERO Cc1[nH]c([C@H]([NH3+])C(C)C)nc1-c1cccs1 ZINC000041062183 180052523 /nfs/dbraw/zinc/05/25/23/180052523.db2.gz JHUYVQJSDAIJMR-SNVBAGLBSA-N 1 0 235.356 3.102 10 0 BGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCCc2cccc(N)c2)C1 ZINC000041137935 177312642 /nfs/dbraw/zinc/31/26/42/177312642.db2.gz YAZLJNYMZYLHQB-OKILXGFUSA-N 1 0 246.398 3.179 10 0 BGAERO C[C@H]1C[C@H](C)C[NH+](CCCc2cccc(N)c2)C1 ZINC000041137937 177358584 /nfs/dbraw/zinc/35/85/84/177358584.db2.gz YAZLJNYMZYLHQB-KBPBESRZSA-N 1 0 246.398 3.179 10 0 BGAERO C[C@@H]1C[C@@H](C)C[NH+](CCCc2cccc(N)c2)C1 ZINC000041137940 176360700 /nfs/dbraw/zinc/36/07/00/176360700.db2.gz YAZLJNYMZYLHQB-ZIAGYGMSSA-N 1 0 246.398 3.179 10 0 BGAERO Cc1ccc([C@@H](O)CC[NH+]2CCCCCC2)cc1 ZINC000041144758 178865213 /nfs/dbraw/zinc/86/52/13/178865213.db2.gz DTXQNRWPSKYQIB-INIZCTEOSA-N 1 0 247.382 3.295 10 0 BGAERO CC[NH+](CC)CC[C@H](O)c1ccc(C)c(C)c1 ZINC000041145154 169784394 /nfs/dbraw/zinc/78/43/94/169784394.db2.gz MILSTROXZGYSNB-HNNXBMFYSA-N 1 0 235.371 3.069 10 0 BGAERO CCc1ccc([C@@H](O)CC[NH+](CC)CC)cc1 ZINC000041145285 171835239 /nfs/dbraw/zinc/83/52/39/171835239.db2.gz CJJDUMQTPGLGLM-HNNXBMFYSA-N 1 0 235.371 3.014 10 0 BGAERO CCC[NH+](CCC)CC[C@H](O)c1cccs1 ZINC000041149353 169146664 /nfs/dbraw/zinc/14/66/64/169146664.db2.gz BTAVFWCYTBUOJV-LBPRGKRZSA-N 1 0 241.400 3.294 10 0 BGAERO CCC[NH+](CCC)CC[C@@H](O)c1cccs1 ZINC000041149356 169147379 /nfs/dbraw/zinc/14/73/79/169147379.db2.gz BTAVFWCYTBUOJV-GFCCVEGCSA-N 1 0 241.400 3.294 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1CC[C@H](O)c1cccs1 ZINC000041149432 176070977 /nfs/dbraw/zinc/07/09/77/176070977.db2.gz TWMQRXGXPXTJJB-NEPJUHHUSA-N 1 0 239.384 3.046 10 0 BGAERO C[C@H]1CCCC[N@@H+]1CC[C@H](O)c1cccs1 ZINC000041149435 177076768 /nfs/dbraw/zinc/07/67/68/177076768.db2.gz TWMQRXGXPXTJJB-RYUDHWBXSA-N 1 0 239.384 3.046 10 0 BGAERO C[C@@H]([NH3+])c1nc2c(s1)CCCc1ccccc1-2 ZINC000041162259 410914162 /nfs/dbraw/zinc/91/41/62/410914162.db2.gz ZTFGGXRGUFMVCM-SECBINFHSA-N 1 0 244.363 3.319 10 0 BGAERO CC[C@@H]([NH3+])c1nc(-c2ccccc2OC)cs1 ZINC000041162394 170871414 /nfs/dbraw/zinc/87/14/14/170871414.db2.gz NAGBEGCQEBXRCD-SNVBAGLBSA-N 1 0 248.351 3.229 10 0 BGAERO CC[C@@H]([NH3+])c1nc(-c2cccc(OC)c2)cs1 ZINC000041162424 170871238 /nfs/dbraw/zinc/87/12/38/170871238.db2.gz CVEUOYCRIHDGLM-LLVKDONJSA-N 1 0 248.351 3.229 10 0 BGAERO COc1ccc(-c2csc(C(C)(C)[NH3+])n2)cc1 ZINC000041163466 175037494 /nfs/dbraw/zinc/03/74/94/175037494.db2.gz FOGZYRUZECFUQV-UHFFFAOYSA-N 1 0 248.351 3.013 10 0 BGAERO COc1ccccc1-c1csc(C(C)(C)[NH3+])n1 ZINC000041163493 175310184 /nfs/dbraw/zinc/31/01/84/175310184.db2.gz PXWOJZSQRYUBNZ-UHFFFAOYSA-N 1 0 248.351 3.013 10 0 BGAERO COc1cccc(-c2csc(C(C)(C)[NH3+])n2)c1 ZINC000041163525 175235262 /nfs/dbraw/zinc/23/52/62/175235262.db2.gz JFDZZUFZTHGKDP-UHFFFAOYSA-N 1 0 248.351 3.013 10 0 BGAERO CC[NH+](CC)CC[C@@H](O)c1ccc(C)cc1C ZINC000041166255 169783944 /nfs/dbraw/zinc/78/39/44/169783944.db2.gz HFVCWORBGGDUBJ-OAHLLOKOSA-N 1 0 235.371 3.069 10 0 BGAERO CC(C)[C@H]([NH3+])c1c(F)cccc1Cl ZINC000041210931 374120667 /nfs/dbraw/zinc/12/06/67/374120667.db2.gz VIVOGARJZVOMBY-JTQLQIEISA-N 1 0 201.672 3.135 10 0 BGAERO CC(C)[C@@H]([NH3+])c1c(F)cccc1Cl ZINC000041210933 167423314 /nfs/dbraw/zinc/42/33/14/167423314.db2.gz VIVOGARJZVOMBY-SNVBAGLBSA-N 1 0 201.672 3.135 10 0 BGAERO C/C(=C\CC[NH3+])c1ccc(Cl)s1 ZINC000041210951 187459265 /nfs/dbraw/zinc/45/92/65/187459265.db2.gz RRMCDQVEPCCKHE-XVNBXDOJSA-N 1 0 201.722 3.154 10 0 BGAERO CC(C)(C)c1ccc([C@H]2C[C@@H]2C[NH3+])cc1 ZINC000041212107 188322854 /nfs/dbraw/zinc/32/28/54/188322854.db2.gz DNUVSOLNSZCSPA-DGCLKSJQSA-N 1 0 203.329 3.046 10 0 BGAERO [NH3+]CCC1(c2ccccc2)CCCCC1 ZINC000041212141 181369676 /nfs/dbraw/zinc/36/96/76/181369676.db2.gz WNVDERDBSHHDSU-UHFFFAOYSA-N 1 0 203.329 3.237 10 0 BGAERO CCCCc1ccc(/C=C/CC[NH3+])cc1 ZINC000041212233 169018859 /nfs/dbraw/zinc/01/88/59/169018859.db2.gz LMTRUYHSEQKWJK-QPJJXVBHSA-N 1 0 203.329 3.391 10 0 BGAERO Cc1cccc([C@H]([NH3+])C2CCCC2)c1C ZINC000041212303 179200869 /nfs/dbraw/zinc/20/08/69/179200869.db2.gz XEEXMCNWZPLEGX-CQSZACIVSA-N 1 0 203.329 3.493 10 0 BGAERO Cc1cccc([C@@H]([NH3+])C2CCCC2)c1C ZINC000041212305 179185150 /nfs/dbraw/zinc/18/51/50/179185150.db2.gz XEEXMCNWZPLEGX-AWEZNQCLSA-N 1 0 203.329 3.493 10 0 BGAERO CC1(C)CC[C@H](CC[NH3+])c2ccccc21 ZINC000041212335 343416735 /nfs/dbraw/zinc/41/67/35/343416735.db2.gz XMVUWFWRSSTXDI-LLVKDONJSA-N 1 0 203.329 3.190 10 0 BGAERO CC1(C)CC[C@@H](CC[NH3+])c2ccccc21 ZINC000041212337 167926132 /nfs/dbraw/zinc/92/61/32/167926132.db2.gz XMVUWFWRSSTXDI-NSHDSACASA-N 1 0 203.329 3.190 10 0 BGAERO C[C@H]1C[C@H]([NH3+])c2cc(C(C)(C)C)ccc21 ZINC000041212377 177364109 /nfs/dbraw/zinc/36/41/09/177364109.db2.gz WHVJLKDZQUWMPL-ZANVPECISA-N 1 0 203.329 3.491 10 0 BGAERO C[C@@H]1C[C@@H]([NH3+])c2cc(C(C)(C)C)ccc21 ZINC000041212379 176371887 /nfs/dbraw/zinc/37/18/87/176371887.db2.gz WHVJLKDZQUWMPL-NOZJJQNGSA-N 1 0 203.329 3.491 10 0 BGAERO C[C@H]1C[C@@H]([NH3+])c2cc(C(C)(C)C)ccc21 ZINC000041212381 177327662 /nfs/dbraw/zinc/32/76/62/177327662.db2.gz WHVJLKDZQUWMPL-TVQRCGJNSA-N 1 0 203.329 3.491 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000041212432 167396920 /nfs/dbraw/zinc/39/69/20/167396920.db2.gz KFZBSLDKNWOCJN-SSDOTTSWSA-N 1 0 203.738 3.100 10 0 BGAERO CC(C)[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000041212434 188475957 /nfs/dbraw/zinc/47/59/57/188475957.db2.gz KFZBSLDKNWOCJN-ZETCQYMHSA-N 1 0 203.738 3.100 10 0 BGAERO Cc1ccccc1CCC[NH2+]CC(C)C ZINC000041214258 179261677 /nfs/dbraw/zinc/26/16/77/179261677.db2.gz RTHNOOGKDGQNCI-UHFFFAOYSA-N 1 0 205.345 3.173 10 0 BGAERO Cc1cccc(CCC[NH2+]CC(C)C)c1 ZINC000041214260 179053654 /nfs/dbraw/zinc/05/36/54/179053654.db2.gz DFMQGMUQVBUHEY-UHFFFAOYSA-N 1 0 205.345 3.173 10 0 BGAERO CCc1ccc(CCC[NH2+]C(C)C)cc1 ZINC000041214266 171791046 /nfs/dbraw/zinc/79/10/46/171791046.db2.gz ZXPHNHNJJCDWMY-UHFFFAOYSA-N 1 0 205.345 3.180 10 0 BGAERO CC(C)c1ccc(CCC[C@@H](C)[NH3+])cc1 ZINC000041214268 167593689 /nfs/dbraw/zinc/59/36/89/167593689.db2.gz FRAQFTNJNHWZRU-GFCCVEGCSA-N 1 0 205.345 3.480 10 0 BGAERO CCc1ccc(C[C@@H](C)CC[NH2+]C)cc1 ZINC000041214288 171814220 /nfs/dbraw/zinc/81/42/20/171814220.db2.gz KLDBBWRSUSYCMW-LBPRGKRZSA-N 1 0 205.345 3.037 10 0 BGAERO CCc1ccc(C[C@@H](C[NH3+])C(C)C)cc1 ZINC000041214297 171813939 /nfs/dbraw/zinc/81/39/39/171813939.db2.gz BBHRJXDVLNHRST-AWEZNQCLSA-N 1 0 205.345 3.022 10 0 BGAERO CCc1ccc(C[C@H](C[NH3+])C(C)C)cc1 ZINC000041214298 171814994 /nfs/dbraw/zinc/81/49/94/171814994.db2.gz BBHRJXDVLNHRST-CQSZACIVSA-N 1 0 205.345 3.022 10 0 BGAERO C[NH2+]CC(C)(C)c1ccc(C(C)C)cc1 ZINC000041214302 173338124 /nfs/dbraw/zinc/33/81/24/173338124.db2.gz YOQVFSWWESJVKQ-UHFFFAOYSA-N 1 0 205.345 3.307 10 0 BGAERO Cc1ccc(C)c(CC[NH2+]CC(C)C)c1 ZINC000041214309 187458925 /nfs/dbraw/zinc/45/89/25/187458925.db2.gz FNLDTFIFBKVKAQ-UHFFFAOYSA-N 1 0 205.345 3.092 10 0 BGAERO Cc1ccc(C)c(C[C@H](C[NH3+])C(C)C)c1 ZINC000041214313 178477211 /nfs/dbraw/zinc/47/72/11/178477211.db2.gz VVNCULQQUYZMCU-CQSZACIVSA-N 1 0 205.345 3.077 10 0 BGAERO Cc1cc(C)c(C[C@H](C)[C@H](C)[NH3+])c(C)c1 ZINC000041214328 177863121 /nfs/dbraw/zinc/86/31/21/177863121.db2.gz AGUQNYVEENVVMP-GWCFXTLKSA-N 1 0 205.345 3.138 10 0 BGAERO C[NH2+]C[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000041214339 173375989 /nfs/dbraw/zinc/37/59/89/173375989.db2.gz CSPZPZWFDZITNW-NSHDSACASA-N 1 0 205.345 3.307 10 0 BGAERO C[NH2+]C[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000041214340 173364986 /nfs/dbraw/zinc/36/49/86/173364986.db2.gz CSPZPZWFDZITNW-LLVKDONJSA-N 1 0 205.345 3.307 10 0 BGAERO C[NH2+]C[C@H](c1ccc(C)c(C)c1)C(C)C ZINC000041214341 173377974 /nfs/dbraw/zinc/37/79/74/173377974.db2.gz QAYYOUALMXPVRA-AWEZNQCLSA-N 1 0 205.345 3.262 10 0 BGAERO C[NH2+]C[C@@H](c1ccc(C)c(C)c1)C(C)C ZINC000041214342 173367019 /nfs/dbraw/zinc/36/70/19/173367019.db2.gz QAYYOUALMXPVRA-CQSZACIVSA-N 1 0 205.345 3.262 10 0 BGAERO CCCCc1ccc([C@@H](C)C[NH2+]C)cc1 ZINC000041214347 169022585 /nfs/dbraw/zinc/02/25/85/169022585.db2.gz NEMDACCFXHLBOY-LBPRGKRZSA-N 1 0 205.345 3.352 10 0 BGAERO CCCCc1ccc([C@H](C)C[NH2+]C)cc1 ZINC000041214348 169023415 /nfs/dbraw/zinc/02/34/15/169023415.db2.gz NEMDACCFXHLBOY-GFCCVEGCSA-N 1 0 205.345 3.352 10 0 BGAERO CCCCc1ccc([C@@H](CC)C[NH3+])cc1 ZINC000041214350 169022562 /nfs/dbraw/zinc/02/25/62/169022562.db2.gz FNVUWTGTNBZZOZ-ZDUSSCGKSA-N 1 0 205.345 3.482 10 0 BGAERO CCCCc1ccc([C@@H](C)CC[NH3+])cc1 ZINC000041214352 169022465 /nfs/dbraw/zinc/02/24/65/169022465.db2.gz ZYAUGUNLBYNPIX-LBPRGKRZSA-N 1 0 205.345 3.482 10 0 BGAERO CCCCc1ccc([C@H](C)CC[NH3+])cc1 ZINC000041214353 169023111 /nfs/dbraw/zinc/02/31/11/169023111.db2.gz ZYAUGUNLBYNPIX-GFCCVEGCSA-N 1 0 205.345 3.482 10 0 BGAERO C[NH2+]C[C@H](C)c1ccc(CC(C)C)cc1 ZINC000041214354 173375958 /nfs/dbraw/zinc/37/59/58/173375958.db2.gz GIDHMFKJSUYBIX-LBPRGKRZSA-N 1 0 205.345 3.208 10 0 BGAERO C[NH2+]C[C@@H](C)c1ccc(CC(C)C)cc1 ZINC000041214355 173364542 /nfs/dbraw/zinc/36/45/42/173364542.db2.gz GIDHMFKJSUYBIX-GFCCVEGCSA-N 1 0 205.345 3.208 10 0 BGAERO CCCc1ccc([C@H](C)CC[NH2+]C)cc1 ZINC000041214369 169574373 /nfs/dbraw/zinc/57/43/73/169574373.db2.gz NYRGRRUNTMJQSS-GFCCVEGCSA-N 1 0 205.345 3.352 10 0 BGAERO C[NH2+]CC[C@H](CC(C)C)c1ccccc1 ZINC000041214400 173358811 /nfs/dbraw/zinc/35/88/11/173358811.db2.gz CMYLACXMQWYITM-CQSZACIVSA-N 1 0 205.345 3.426 10 0 BGAERO C[NH2+]CC[C@@H](CC(C)C)c1ccccc1 ZINC000041214401 173357763 /nfs/dbraw/zinc/35/77/63/173357763.db2.gz CMYLACXMQWYITM-AWEZNQCLSA-N 1 0 205.345 3.426 10 0 BGAERO CCC[C@@H](CC[NH2+]C)c1ccccc1C ZINC000041214408 169381892 /nfs/dbraw/zinc/38/18/92/169381892.db2.gz MAFJMKFSTIJWKD-ZDUSSCGKSA-N 1 0 205.345 3.488 10 0 BGAERO CCC[C@@H](CC[NH2+]C)c1cccc(C)c1 ZINC000041214416 169381834 /nfs/dbraw/zinc/38/18/34/169381834.db2.gz BKRBIBRZDBQDRB-ZDUSSCGKSA-N 1 0 205.345 3.488 10 0 BGAERO CCC[C@H](CC[NH2+]C)c1cccc(C)c1 ZINC000041214417 169497875 /nfs/dbraw/zinc/49/78/75/169497875.db2.gz BKRBIBRZDBQDRB-CYBMUJFWSA-N 1 0 205.345 3.488 10 0 BGAERO CCC[C@@H](CC[NH2+]C)c1ccc(C)cc1 ZINC000041214420 169382344 /nfs/dbraw/zinc/38/23/44/169382344.db2.gz BTBDFMMPJNNXAR-ZDUSSCGKSA-N 1 0 205.345 3.488 10 0 BGAERO CCC[C@@H](CC[NH3+])c1ccc(CC)cc1 ZINC000041214424 169381870 /nfs/dbraw/zinc/38/18/70/169381870.db2.gz DHAUGGIXTUJIRF-ZDUSSCGKSA-N 1 0 205.345 3.482 10 0 BGAERO CC(C)C[NH2+]CCCc1ccc(F)cc1 ZINC000041218834 167005067 /nfs/dbraw/zinc/00/50/67/167005067.db2.gz PUEXJOQVAUFRTG-UHFFFAOYSA-N 1 0 209.308 3.004 10 0 BGAERO CCC[C@@H](CC[NH2+]C)c1ccccc1F ZINC000041218864 169381880 /nfs/dbraw/zinc/38/18/80/169381880.db2.gz ZSLBXTQNKAWXKY-NSHDSACASA-N 1 0 209.308 3.319 10 0 BGAERO CCC[C@@H](CC[NH2+]C)c1cccc(F)c1 ZINC000041218879 169381786 /nfs/dbraw/zinc/38/17/86/169381786.db2.gz YVQCODZRVJBLBE-NSHDSACASA-N 1 0 209.308 3.319 10 0 BGAERO CCC[C@@H](CC[NH2+]C)c1ccc(F)cc1 ZINC000041218887 169382190 /nfs/dbraw/zinc/38/21/90/169382190.db2.gz GWMMRHAOVMZAIG-NSHDSACASA-N 1 0 209.308 3.319 10 0 BGAERO C[NH2+]Cc1ccc(-c2cccs2)s1 ZINC000041219007 173388295 /nfs/dbraw/zinc/38/82/95/173388295.db2.gz FOMIZDVHGRKMLU-UHFFFAOYSA-N 1 0 209.339 3.196 10 0 BGAERO Clc1cccc(CC[C@@H]2CCC[NH2+]2)c1 ZINC000041219171 374120404 /nfs/dbraw/zinc/12/04/04/374120404.db2.gz XWGLAPZFESQPBY-LBPRGKRZSA-N 1 0 209.720 3.025 10 0 BGAERO Clc1cccc(CC[C@H]2CCC[NH2+]2)c1 ZINC000041219173 388269185 /nfs/dbraw/zinc/26/91/85/388269185.db2.gz XWGLAPZFESQPBY-GFCCVEGCSA-N 1 0 209.720 3.025 10 0 BGAERO [NH3+]CC[C@@H]1CCCc2ccc(Cl)cc21 ZINC000041219195 181405778 /nfs/dbraw/zinc/40/57/78/181405778.db2.gz GTFOQYUDSWEHHB-JTQLQIEISA-N 1 0 209.720 3.109 10 0 BGAERO C[C@H]1C[C@H](CC[NH3+])c2cc(Cl)ccc21 ZINC000041219200 177360523 /nfs/dbraw/zinc/36/05/23/177360523.db2.gz DHNGBVXOCJJZSJ-IUCAKERBSA-N 1 0 209.720 3.280 10 0 BGAERO C[C@@H]1C[C@@H](CC[NH3+])c2cc(Cl)ccc21 ZINC000041219202 176367027 /nfs/dbraw/zinc/36/70/27/176367027.db2.gz DHNGBVXOCJJZSJ-RKDXNWHRSA-N 1 0 209.720 3.280 10 0 BGAERO C[C@H]1C[C@@H](CC[NH3+])c2cc(Cl)ccc21 ZINC000041219204 177323959 /nfs/dbraw/zinc/32/39/59/177323959.db2.gz DHNGBVXOCJJZSJ-DTWKUNHWSA-N 1 0 209.720 3.280 10 0 BGAERO [NH3+][C@H](c1cc(F)cc(F)c1)C1CCCC1 ZINC000041225456 181630198 /nfs/dbraw/zinc/63/01/98/181630198.db2.gz SESUXANMOVUPGE-LBPRGKRZSA-N 1 0 211.255 3.155 10 0 BGAERO C[NH2+]CC[C@H](CC(C)C)c1cccs1 ZINC000041225825 173359241 /nfs/dbraw/zinc/35/92/41/173359241.db2.gz CSSDJTCPYKJXDP-LLVKDONJSA-N 1 0 211.374 3.487 10 0 BGAERO C[NH2+]CC[C@@H](CC(C)C)c1cccs1 ZINC000041225827 173358391 /nfs/dbraw/zinc/35/83/91/173358391.db2.gz CSSDJTCPYKJXDP-NSHDSACASA-N 1 0 211.374 3.487 10 0 BGAERO [NH3+]CCCCCCc1ccccc1Cl ZINC000041225998 181375413 /nfs/dbraw/zinc/37/54/13/181375413.db2.gz LVWUHGFGFBYUHF-UHFFFAOYSA-N 1 0 211.736 3.402 10 0 BGAERO CC(C)[NH2+]CCCc1ccccc1Cl ZINC000041226000 167102950 /nfs/dbraw/zinc/10/29/50/167102950.db2.gz JGAIXWXCAFLTEC-UHFFFAOYSA-N 1 0 211.736 3.271 10 0 BGAERO [NH3+]CCCCCCc1cccc(Cl)c1 ZINC000041226002 181374847 /nfs/dbraw/zinc/37/48/47/181374847.db2.gz WADADVYBOYSYRW-UHFFFAOYSA-N 1 0 211.736 3.402 10 0 BGAERO C[NH2+]C[C@@H](c1ccccc1Cl)C(C)C ZINC000041226019 173367033 /nfs/dbraw/zinc/36/70/33/173367033.db2.gz UGBOAEBXFJXGEX-LLVKDONJSA-N 1 0 211.736 3.299 10 0 BGAERO C[NH2+]C[C@H](c1ccccc1Cl)C(C)C ZINC000041226021 173377953 /nfs/dbraw/zinc/37/79/53/173377953.db2.gz UGBOAEBXFJXGEX-NSHDSACASA-N 1 0 211.736 3.299 10 0 BGAERO C[NH2+]C[C@@H](c1cccc(Cl)c1)C(C)C ZINC000041226039 173366927 /nfs/dbraw/zinc/36/69/27/173366927.db2.gz JEMUZMABUYHTDE-GFCCVEGCSA-N 1 0 211.736 3.299 10 0 BGAERO C[NH2+]C[C@H](c1cccc(Cl)c1)C(C)C ZINC000041226041 173377706 /nfs/dbraw/zinc/37/77/06/173377706.db2.gz JEMUZMABUYHTDE-LBPRGKRZSA-N 1 0 211.736 3.299 10 0 BGAERO CC(C)[C@@](C)(C[NH3+])c1cccc(Cl)c1 ZINC000041226043 188119033 /nfs/dbraw/zinc/11/90/33/188119033.db2.gz DIZLYPMNCUMFEQ-GFCCVEGCSA-N 1 0 211.736 3.212 10 0 BGAERO CC(C)[C@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000041226050 188322683 /nfs/dbraw/zinc/32/26/83/188322683.db2.gz NNVMCTGKPAAGLL-NSHDSACASA-N 1 0 211.736 3.113 10 0 BGAERO CC(C)[C@@H](C[NH3+])Cc1cccc(Cl)c1 ZINC000041226052 167397549 /nfs/dbraw/zinc/39/75/49/167397549.db2.gz NNVMCTGKPAAGLL-LLVKDONJSA-N 1 0 211.736 3.113 10 0 BGAERO C[NH2+]C[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000041226058 173366768 /nfs/dbraw/zinc/36/67/68/173366768.db2.gz OWVFHWBYDIFHLA-GFCCVEGCSA-N 1 0 211.736 3.299 10 0 BGAERO C[NH2+]C[C@H](c1ccc(Cl)cc1)C(C)C ZINC000041226060 173377955 /nfs/dbraw/zinc/37/79/55/173377955.db2.gz OWVFHWBYDIFHLA-LBPRGKRZSA-N 1 0 211.736 3.299 10 0 BGAERO CC(C)[C@@](C)(C[NH3+])c1ccc(Cl)cc1 ZINC000041226062 188118838 /nfs/dbraw/zinc/11/88/38/188118838.db2.gz SONBHAHNPZSYLN-GFCCVEGCSA-N 1 0 211.736 3.212 10 0 BGAERO CC(C)[C@@H](C[NH3+])Cc1ccc(Cl)cc1 ZINC000041226072 167397240 /nfs/dbraw/zinc/39/72/40/167397240.db2.gz KBDWAWQNSMNPKW-LLVKDONJSA-N 1 0 211.736 3.113 10 0 BGAERO CC(C)(C)[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000041226090 166694742 /nfs/dbraw/zinc/69/47/42/166694742.db2.gz KBVKKKQCDYQFMY-NSHDSACASA-N 1 0 211.736 3.428 10 0 BGAERO CC(C)(C)[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000041226092 188118940 /nfs/dbraw/zinc/11/89/40/188118940.db2.gz KBVKKKQCDYQFMY-LLVKDONJSA-N 1 0 211.736 3.428 10 0 BGAERO Fc1cccc(Cl)c1[C@@H]1CCCC[NH2+]1 ZINC000041227272 181000269 /nfs/dbraw/zinc/00/02/69/181000269.db2.gz GDMURKNAEVKZLF-JTQLQIEISA-N 1 0 213.683 3.294 10 0 BGAERO Fc1cccc(Cl)c1[C@H]1CCCC[NH2+]1 ZINC000041227274 181000783 /nfs/dbraw/zinc/00/07/83/181000783.db2.gz GDMURKNAEVKZLF-SNVBAGLBSA-N 1 0 213.683 3.294 10 0 BGAERO CC(C)Oc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000041227427 167295186 /nfs/dbraw/zinc/29/51/86/167295186.db2.gz ADDAXHJWFGISBA-MRVPVSSYSA-N 1 0 213.708 3.147 10 0 BGAERO CC(C)Oc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000041227428 167294272 /nfs/dbraw/zinc/29/42/72/167294272.db2.gz ADDAXHJWFGISBA-QMMMGPOBSA-N 1 0 213.708 3.147 10 0 BGAERO CC(C)Oc1c(Cl)cccc1[C@@H](C)[NH3+] ZINC000041227430 167284837 /nfs/dbraw/zinc/28/48/37/167284837.db2.gz IZNBXYJRQCSXOG-MRVPVSSYSA-N 1 0 213.708 3.147 10 0 BGAERO CC(C)Oc1c(Cl)cccc1[C@H](C)[NH3+] ZINC000041227432 167284896 /nfs/dbraw/zinc/28/48/96/167284896.db2.gz IZNBXYJRQCSXOG-QMMMGPOBSA-N 1 0 213.708 3.147 10 0 BGAERO CCCOc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000041227433 169319624 /nfs/dbraw/zinc/31/96/24/169319624.db2.gz HEIROQRPHLRLEM-MRVPVSSYSA-N 1 0 213.708 3.149 10 0 BGAERO CCCOc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000041227435 169319564 /nfs/dbraw/zinc/31/95/64/169319564.db2.gz HEIROQRPHLRLEM-QMMMGPOBSA-N 1 0 213.708 3.149 10 0 BGAERO CC(C)Oc1ccc([C@@H](C)[NH3+])cc1Cl ZINC000041227441 167298411 /nfs/dbraw/zinc/29/84/11/167298411.db2.gz ZVXWIQACEOVSBO-MRVPVSSYSA-N 1 0 213.708 3.147 10 0 BGAERO CC(C)Oc1ccc([C@H](C)[NH3+])cc1Cl ZINC000041227443 167300923 /nfs/dbraw/zinc/30/09/23/167300923.db2.gz ZVXWIQACEOVSBO-QMMMGPOBSA-N 1 0 213.708 3.147 10 0 BGAERO [NH3+]CC/C=C/c1ccccc1C(F)(F)F ZINC000041228047 181357207 /nfs/dbraw/zinc/35/72/07/181357207.db2.gz HOLGUBSZVGDGRR-ZZXKWVIFSA-N 1 0 215.218 3.067 10 0 BGAERO [NH3+]CC/C=C/c1cccc(C(F)(F)F)c1 ZINC000041228049 181357470 /nfs/dbraw/zinc/35/74/70/181357470.db2.gz FXUOBCMTCOMZRR-DAFODLJHSA-N 1 0 215.218 3.067 10 0 BGAERO [NH3+]CC/C=C/c1ccc(C(F)(F)F)cc1 ZINC000041228054 181357870 /nfs/dbraw/zinc/35/78/70/181357870.db2.gz QUHOSJIAUZFOGY-HNQUOIGGSA-N 1 0 215.218 3.067 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])c1ccccc1F ZINC000041228207 179343739 /nfs/dbraw/zinc/34/37/39/179343739.db2.gz KVORQKJVYQCNKQ-AWEZNQCLSA-N 1 0 215.271 3.182 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])c1ccccc1F ZINC000041228209 179324588 /nfs/dbraw/zinc/32/45/88/179324588.db2.gz KVORQKJVYQCNKQ-CQSZACIVSA-N 1 0 215.271 3.182 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccccc2F)c1 ZINC000041228211 179200096 /nfs/dbraw/zinc/20/00/96/179200096.db2.gz LONSADBETWWBCV-AWEZNQCLSA-N 1 0 215.271 3.182 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccccc2F)c1 ZINC000041228213 179187156 /nfs/dbraw/zinc/18/71/56/179187156.db2.gz LONSADBETWWBCV-CQSZACIVSA-N 1 0 215.271 3.182 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)Cc1c(F)cccc1Cl ZINC000041228698 361467551 /nfs/dbraw/zinc/46/75/51/361467551.db2.gz QPAKHMCRVZLJBG-JGVFFNPUSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Cc1c(F)cccc1Cl ZINC000041228699 175811541 /nfs/dbraw/zinc/81/15/41/175811541.db2.gz QPAKHMCRVZLJBG-HTQZYQBOSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)Cc1c(F)cccc1Cl ZINC000041228700 361467724 /nfs/dbraw/zinc/46/77/24/361467724.db2.gz QPAKHMCRVZLJBG-YUMQZZPRSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H](Cc1c(F)cccc1Cl)[C@H](C)[NH3+] ZINC000041228702 361468489 /nfs/dbraw/zinc/46/84/89/361468489.db2.gz QPAKHMCRVZLJBG-SFYZADRCSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)(CC[NH3+])c1c(F)cccc1Cl ZINC000041228706 361467785 /nfs/dbraw/zinc/46/77/85/361467785.db2.gz XLEKXDDPJHMGTO-UHFFFAOYSA-N 1 0 215.699 3.106 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1c(F)cccc1Cl ZINC000041228708 167397144 /nfs/dbraw/zinc/39/71/44/167397144.db2.gz HWLPOZVCOLRWJX-MRVPVSSYSA-N 1 0 215.699 3.177 10 0 BGAERO C[C@H](CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041229601 176628165 /nfs/dbraw/zinc/62/81/65/176628165.db2.gz GVJJVPLXOONGIT-MRVPVSSYSA-N 1 0 217.234 3.158 10 0 BGAERO Cc1ccccc1CCC[NH2+]C1CCCC1 ZINC000041230493 179261212 /nfs/dbraw/zinc/26/12/12/179261212.db2.gz NKVKEXXYKZYXPW-UHFFFAOYSA-N 1 0 217.356 3.460 10 0 BGAERO Cc1cccc(CCC[NH2+]C2CCCC2)c1 ZINC000041230495 179054725 /nfs/dbraw/zinc/05/47/25/179054725.db2.gz CTUBCKNQTSZCAH-UHFFFAOYSA-N 1 0 217.356 3.460 10 0 BGAERO CC(C)c1ccc(CCC[NH2+]C2CC2)cc1 ZINC000041230499 167593473 /nfs/dbraw/zinc/59/34/73/167593473.db2.gz NGLKKBNSGQPVKN-UHFFFAOYSA-N 1 0 217.356 3.495 10 0 BGAERO C[NH2+]C[C@H](c1ccccc1C)C1CCCC1 ZINC000041230523 173377882 /nfs/dbraw/zinc/37/78/82/173377882.db2.gz KTDAHIIJFXRFCQ-HNNXBMFYSA-N 1 0 217.356 3.488 10 0 BGAERO C[NH2+]C[C@@H](c1ccccc1C)C1CCCC1 ZINC000041230525 173367144 /nfs/dbraw/zinc/36/71/44/173367144.db2.gz KTDAHIIJFXRFCQ-OAHLLOKOSA-N 1 0 217.356 3.488 10 0 BGAERO Cc1ccccc1CC[NH2+]CC1CCCC1 ZINC000041230527 179265871 /nfs/dbraw/zinc/26/58/71/179265871.db2.gz ZOASDQLRTGGEFT-UHFFFAOYSA-N 1 0 217.356 3.317 10 0 BGAERO C[NH2+]C[C@H](c1cccc(C)c1)C1CCCC1 ZINC000041230535 173377788 /nfs/dbraw/zinc/37/77/88/173377788.db2.gz IOBBFJNYKWYGKD-HNNXBMFYSA-N 1 0 217.356 3.488 10 0 BGAERO C[NH2+]C[C@@H](c1cccc(C)c1)C1CCCC1 ZINC000041230537 173366677 /nfs/dbraw/zinc/36/66/77/173366677.db2.gz IOBBFJNYKWYGKD-OAHLLOKOSA-N 1 0 217.356 3.488 10 0 BGAERO C[NH2+]C[C@H](c1ccc(C)cc1)C1CCCC1 ZINC000041230545 173377913 /nfs/dbraw/zinc/37/79/13/173377913.db2.gz OYFKMOKNOUMQTL-HNNXBMFYSA-N 1 0 217.356 3.488 10 0 BGAERO C[NH2+]C[C@@H](c1ccc(C)cc1)C1CCCC1 ZINC000041230547 173366935 /nfs/dbraw/zinc/36/69/35/173366935.db2.gz OYFKMOKNOUMQTL-OAHLLOKOSA-N 1 0 217.356 3.488 10 0 BGAERO CCc1ccc(C[C@@H](CC[NH3+])C2CC2)cc1 ZINC000041230559 171814375 /nfs/dbraw/zinc/81/43/75/171814375.db2.gz UDDLEXASEAYYDF-OAHLLOKOSA-N 1 0 217.356 3.167 10 0 BGAERO CCc1ccc(C[C@H](CC[NH3+])C2CC2)cc1 ZINC000041230561 171814698 /nfs/dbraw/zinc/81/46/98/171814698.db2.gz UDDLEXASEAYYDF-HNNXBMFYSA-N 1 0 217.356 3.167 10 0 BGAERO CC(C)c1ccc(CC[C@H]2CCC[NH2+]2)cc1 ZINC000041230567 167593586 /nfs/dbraw/zinc/59/35/86/167593586.db2.gz BTZKOVFCKQXBED-OAHLLOKOSA-N 1 0 217.356 3.495 10 0 BGAERO Cc1ccc(C)c(CC[NH2+]C2CCCC2)c1 ZINC000041230577 188475470 /nfs/dbraw/zinc/47/54/70/188475470.db2.gz ZWKXMLFODUFRRE-UHFFFAOYSA-N 1 0 217.356 3.378 10 0 BGAERO Cc1ccc(C)c(CCC2CC[NH2+]CC2)c1 ZINC000041230579 178470228 /nfs/dbraw/zinc/47/02/28/178470228.db2.gz TVNQSYCRZBRNTI-UHFFFAOYSA-N 1 0 217.356 3.236 10 0 BGAERO Cc1cc(C)c(C[C@@H]2CCCC[NH2+]2)c(C)c1 ZINC000041230607 177863496 /nfs/dbraw/zinc/86/34/96/177863496.db2.gz OUPOVXKGCIAQPT-AWEZNQCLSA-N 1 0 217.356 3.296 10 0 BGAERO Cc1cc(C)c(C[C@H]2CCCC[NH2+]2)c(C)c1 ZINC000041230609 177863129 /nfs/dbraw/zinc/86/31/29/177863129.db2.gz OUPOVXKGCIAQPT-CQSZACIVSA-N 1 0 217.356 3.296 10 0 BGAERO CCCCc1ccc([C@@H](C[NH3+])C2CC2)cc1 ZINC000041230632 169022410 /nfs/dbraw/zinc/02/24/10/169022410.db2.gz KYNJSDPOTXSOIG-OAHLLOKOSA-N 1 0 217.356 3.482 10 0 BGAERO CCCCc1ccc([C@H](C[NH3+])C2CC2)cc1 ZINC000041230634 169023825 /nfs/dbraw/zinc/02/38/25/169023825.db2.gz KYNJSDPOTXSOIG-HNNXBMFYSA-N 1 0 217.356 3.482 10 0 BGAERO CCCc1ccc([C@@H](CC[NH3+])C2CC2)cc1 ZINC000041230653 169573318 /nfs/dbraw/zinc/57/33/18/169573318.db2.gz XETZMEYJSIUYOZ-OAHLLOKOSA-N 1 0 217.356 3.482 10 0 BGAERO [NH3+]C(c1ccccc1F)c1ccccc1F ZINC000041232259 181324446 /nfs/dbraw/zinc/32/44/46/181324446.db2.gz GTAHWADMBQTUQB-UHFFFAOYSA-N 1 0 219.234 3.013 10 0 BGAERO Cc1cc([C@@H](C)[NH3+])ccc1OC1CCCC1 ZINC000041233352 178221372 /nfs/dbraw/zinc/22/13/72/178221372.db2.gz OOMABBMKQNBTBG-LLVKDONJSA-N 1 0 219.328 3.336 10 0 BGAERO Cc1cc([C@H](C)[NH3+])ccc1OC1CCCC1 ZINC000041233354 178243955 /nfs/dbraw/zinc/24/39/55/178243955.db2.gz OOMABBMKQNBTBG-NSHDSACASA-N 1 0 219.328 3.336 10 0 BGAERO C[NH2+]CC(C)(C)c1ccc(C(C)(C)C)cc1 ZINC000041233524 173338004 /nfs/dbraw/zinc/33/80/04/173338004.db2.gz IDMRMXKUSGABTO-UHFFFAOYSA-N 1 0 219.372 3.481 10 0 BGAERO C[NH2+]CC[C@H](C)Cc1c(C)cc(C)cc1C ZINC000041233538 173358171 /nfs/dbraw/zinc/35/81/71/173358171.db2.gz JYDHYRKVXLBYGE-NSHDSACASA-N 1 0 219.372 3.400 10 0 BGAERO C[NH2+]CC[C@@H](C)Cc1c(C)cc(C)cc1C ZINC000041233540 173357583 /nfs/dbraw/zinc/35/75/83/173357583.db2.gz JYDHYRKVXLBYGE-LLVKDONJSA-N 1 0 219.372 3.400 10 0 BGAERO Cc1cc(C)c(C[C@@H](C[NH3+])C(C)C)c(C)c1 ZINC000041233556 177863517 /nfs/dbraw/zinc/86/35/17/177863517.db2.gz HRSLGGOPABJMLQ-AWEZNQCLSA-N 1 0 219.372 3.385 10 0 BGAERO C[NH2+]C[C@@H](c1ccccc1F)C1CCCC1 ZINC000041238035 173366786 /nfs/dbraw/zinc/36/67/86/173366786.db2.gz YZSFUQNIVACLTF-CYBMUJFWSA-N 1 0 221.319 3.319 10 0 BGAERO C[NH2+]C[C@H](c1ccccc1F)C1CCCC1 ZINC000041238038 173378096 /nfs/dbraw/zinc/37/80/96/173378096.db2.gz YZSFUQNIVACLTF-ZDUSSCGKSA-N 1 0 221.319 3.319 10 0 BGAERO Fc1ccccc1CC[NH2+]CC1CCCC1 ZINC000041238040 181011739 /nfs/dbraw/zinc/01/17/39/181011739.db2.gz WZGGVXKMCAKZTL-UHFFFAOYSA-N 1 0 221.319 3.148 10 0 BGAERO C[NH2+]C[C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000041238046 173366984 /nfs/dbraw/zinc/36/69/84/173366984.db2.gz SMIZQNWHWFNKFT-CQSZACIVSA-N 1 0 221.319 3.319 10 0 BGAERO C[NH2+]C[C@H](c1ccc(F)cc1)C1CCCC1 ZINC000041238049 173378146 /nfs/dbraw/zinc/37/81/46/173378146.db2.gz SMIZQNWHWFNKFT-AWEZNQCLSA-N 1 0 221.319 3.319 10 0 BGAERO [NH3+]C[C@H](c1cccc(F)c1)C1CCCCC1 ZINC000041238061 181455369 /nfs/dbraw/zinc/45/53/69/181455369.db2.gz JALSJLWOQJHPAO-AWEZNQCLSA-N 1 0 221.319 3.448 10 0 BGAERO CCOc1ccc(CCC[NH2+]C(C)C)cc1 ZINC000041238200 170542030 /nfs/dbraw/zinc/54/20/30/170542030.db2.gz KZKKXUYCEFFJOE-UHFFFAOYSA-N 1 0 221.344 3.016 10 0 BGAERO Cc1cccc(OCC[NH2+]CCC(C)C)c1 ZINC000041238235 179168441 /nfs/dbraw/zinc/16/84/41/179168441.db2.gz HQEYJKYDXVBISO-UHFFFAOYSA-N 1 0 221.344 3.010 10 0 BGAERO CCOc1ccc([C@@H](C[NH2+]C)C(C)C)cc1 ZINC000041238284 170559537 /nfs/dbraw/zinc/55/95/37/170559537.db2.gz FCSNSSLNPSFHFW-AWEZNQCLSA-N 1 0 221.344 3.044 10 0 BGAERO CCOc1ccc([C@H](C[NH2+]C)C(C)C)cc1 ZINC000041238287 170563311 /nfs/dbraw/zinc/56/33/11/170563311.db2.gz FCSNSSLNPSFHFW-CQSZACIVSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]CC[C@@H](c1ccccc1OC)C(C)C ZINC000041238438 173358560 /nfs/dbraw/zinc/35/85/60/173358560.db2.gz WPDUTTGTNSIXGR-GFCCVEGCSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]CC[C@H](c1ccccc1OC)C(C)C ZINC000041238441 173359049 /nfs/dbraw/zinc/35/90/49/173359049.db2.gz WPDUTTGTNSIXGR-LBPRGKRZSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]CC[C@@H](c1cccc(OC)c1)C(C)C ZINC000041238444 173358576 /nfs/dbraw/zinc/35/85/76/173358576.db2.gz KGRCIRVJFFYFLS-CQSZACIVSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]CC[C@H](c1cccc(OC)c1)C(C)C ZINC000041238446 173358879 /nfs/dbraw/zinc/35/88/79/173358879.db2.gz KGRCIRVJFFYFLS-AWEZNQCLSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]CC[C@H](C)c1cc(C)c(OC)cc1C ZINC000041238596 173358397 /nfs/dbraw/zinc/35/83/97/173358397.db2.gz WTHJAUXGERQFIG-JTQLQIEISA-N 1 0 221.344 3.025 10 0 BGAERO C[NH2+]CC[C@@H](C)c1cc(C)c(OC)cc1C ZINC000041238598 173357513 /nfs/dbraw/zinc/35/75/13/173357513.db2.gz WTHJAUXGERQFIG-SNVBAGLBSA-N 1 0 221.344 3.025 10 0 BGAERO CCOc1ccc([C@H](CC[NH3+])C(C)C)cc1 ZINC000041238625 170563507 /nfs/dbraw/zinc/56/35/07/170563507.db2.gz DGOANFLIVHYTOP-CQSZACIVSA-N 1 0 221.344 3.174 10 0 BGAERO COc1ccccc1[C@H](CC[NH3+])CC(C)C ZINC000041238640 175353717 /nfs/dbraw/zinc/35/37/17/175353717.db2.gz SMCORHAKHZEADL-GFCCVEGCSA-N 1 0 221.344 3.174 10 0 BGAERO COc1ccccc1[C@@H](CC[NH3+])CC(C)C ZINC000041238643 175346113 /nfs/dbraw/zinc/34/61/13/175346113.db2.gz SMCORHAKHZEADL-LBPRGKRZSA-N 1 0 221.344 3.174 10 0 BGAERO COc1cccc([C@H](CC[NH3+])CC(C)C)c1 ZINC000041238658 175294171 /nfs/dbraw/zinc/29/41/71/175294171.db2.gz MUYVTUGNCMEKMV-CYBMUJFWSA-N 1 0 221.344 3.174 10 0 BGAERO COc1cccc([C@@H](CC[NH3+])CC(C)C)c1 ZINC000041238661 175287629 /nfs/dbraw/zinc/28/76/29/175287629.db2.gz MUYVTUGNCMEKMV-ZDUSSCGKSA-N 1 0 221.344 3.174 10 0 BGAERO COc1ccc([C@H](CC[NH3+])CC(C)C)cc1 ZINC000041238676 188476004 /nfs/dbraw/zinc/47/60/04/188476004.db2.gz SHVMRNTVNOWOPT-CYBMUJFWSA-N 1 0 221.344 3.174 10 0 BGAERO COc1ccc([C@@H](CC[NH3+])CC(C)C)cc1 ZINC000041238679 175178396 /nfs/dbraw/zinc/17/83/96/175178396.db2.gz SHVMRNTVNOWOPT-ZDUSSCGKSA-N 1 0 221.344 3.174 10 0 BGAERO CCC[C@@H](C[NH3+])c1ccc(OC(C)C)cc1 ZINC000041238713 169384037 /nfs/dbraw/zinc/38/40/37/169384037.db2.gz PCUCKHBZZCLYQF-ZDUSSCGKSA-N 1 0 221.344 3.316 10 0 BGAERO C[NH2+]CC[C@H](C)c1ccc(OC(C)C)cc1 ZINC000041238724 173358241 /nfs/dbraw/zinc/35/82/41/173358241.db2.gz DPIFRDUVSCOJTB-LBPRGKRZSA-N 1 0 221.344 3.187 10 0 BGAERO C[NH2+]CC[C@@H](C)c1ccc(OC(C)C)cc1 ZINC000041238727 173357378 /nfs/dbraw/zinc/35/73/78/173357378.db2.gz DPIFRDUVSCOJTB-GFCCVEGCSA-N 1 0 221.344 3.187 10 0 BGAERO C[NH2+]CC[C@H](C)Oc1ccccc1C(C)C ZINC000041238788 173358385 /nfs/dbraw/zinc/35/83/85/173358385.db2.gz HULWFJGUNOBMFI-LBPRGKRZSA-N 1 0 221.344 3.187 10 0 BGAERO C[NH2+]CC[C@@H](C)Oc1ccccc1C(C)C ZINC000041238791 173357523 /nfs/dbraw/zinc/35/75/23/173357523.db2.gz HULWFJGUNOBMFI-GFCCVEGCSA-N 1 0 221.344 3.187 10 0 BGAERO C[NH2+]C[C@H](C)COc1ccccc1C(C)C ZINC000041238794 173376101 /nfs/dbraw/zinc/37/61/01/173376101.db2.gz MSAWNIJHBSRZRI-LBPRGKRZSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]C[C@@H](C)COc1ccccc1C(C)C ZINC000041238797 173363790 /nfs/dbraw/zinc/36/37/90/173363790.db2.gz MSAWNIJHBSRZRI-GFCCVEGCSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]CC[C@H](C)Oc1cccc(C(C)C)c1 ZINC000041238820 173358137 /nfs/dbraw/zinc/35/81/37/173358137.db2.gz WHTZRBZKBZGQSP-LBPRGKRZSA-N 1 0 221.344 3.187 10 0 BGAERO C[NH2+]CC[C@@H](C)Oc1cccc(C(C)C)c1 ZINC000041238823 173357519 /nfs/dbraw/zinc/35/75/19/173357519.db2.gz WHTZRBZKBZGQSP-GFCCVEGCSA-N 1 0 221.344 3.187 10 0 BGAERO C[NH2+]C[C@H](C)COc1cccc(C(C)C)c1 ZINC000041238826 173376029 /nfs/dbraw/zinc/37/60/29/173376029.db2.gz QKMWAIDWURANDM-LBPRGKRZSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]C[C@@H](C)COc1cccc(C(C)C)c1 ZINC000041238829 173363896 /nfs/dbraw/zinc/36/38/96/173363896.db2.gz QKMWAIDWURANDM-GFCCVEGCSA-N 1 0 221.344 3.044 10 0 BGAERO CC(C)c1cccc(OCC(C)(C)C[NH3+])c1 ZINC000041238835 167634859 /nfs/dbraw/zinc/63/48/59/167634859.db2.gz UPVYTSVLMRANJV-UHFFFAOYSA-N 1 0 221.344 3.174 10 0 BGAERO C[NH2+]CC[C@H](C)Oc1ccc(C(C)C)cc1 ZINC000041238853 173358350 /nfs/dbraw/zinc/35/83/50/173358350.db2.gz OJZFLAGMFLXECE-LBPRGKRZSA-N 1 0 221.344 3.187 10 0 BGAERO C[NH2+]CC[C@@H](C)Oc1ccc(C(C)C)cc1 ZINC000041238856 173357736 /nfs/dbraw/zinc/35/77/36/173357736.db2.gz OJZFLAGMFLXECE-GFCCVEGCSA-N 1 0 221.344 3.187 10 0 BGAERO C[NH2+]C[C@H](C)COc1ccc(C(C)C)cc1 ZINC000041238859 173375735 /nfs/dbraw/zinc/37/57/35/173375735.db2.gz RFXZYKBVJAVWKM-LBPRGKRZSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]C[C@@H](C)COc1ccc(C(C)C)cc1 ZINC000041238862 173364087 /nfs/dbraw/zinc/36/40/87/173364087.db2.gz RFXZYKBVJAVWKM-GFCCVEGCSA-N 1 0 221.344 3.044 10 0 BGAERO CC(C)c1ccc(OCCC[C@@H](C)[NH3+])cc1 ZINC000041238874 517486098 /nfs/dbraw/zinc/48/60/98/517486098.db2.gz HDOHSAVGSXGQEQ-GFCCVEGCSA-N 1 0 221.344 3.316 10 0 BGAERO Cc1ccc(C)c(OCCCCC[NH3+])c1C ZINC000041238986 178488086 /nfs/dbraw/zinc/48/80/86/178488086.db2.gz BKMSRNKJCXTMBM-UHFFFAOYSA-N 1 0 221.344 3.120 10 0 BGAERO Cc1ccc(C)c(OCCC[C@@H](C)[NH3+])c1C ZINC000041238989 178488412 /nfs/dbraw/zinc/48/84/12/178488412.db2.gz QZYYLSKSIBVWKN-GFCCVEGCSA-N 1 0 221.344 3.118 10 0 BGAERO Cc1cc(C)c(OCCCCC[NH3+])cc1C ZINC000041239022 177868414 /nfs/dbraw/zinc/86/84/14/177868414.db2.gz GUWWWVOCBIERHU-UHFFFAOYSA-N 1 0 221.344 3.120 10 0 BGAERO Cc1cc(C)c(OCCC[C@@H](C)[NH3+])c(C)c1 ZINC000041239059 177867856 /nfs/dbraw/zinc/86/78/56/177867856.db2.gz YUZPZDPGTBOTNB-CYBMUJFWSA-N 1 0 221.344 3.118 10 0 BGAERO CCCc1ccc([C@H]2CSCC[NH2+]2)cc1 ZINC000041239128 169576478 /nfs/dbraw/zinc/57/64/78/169576478.db2.gz CUVFGUUEVXBAFP-CYBMUJFWSA-N 1 0 221.369 3.017 10 0 BGAERO [NH3+]C[C@H](c1cc(F)cc(F)c1)C1CCCC1 ZINC000041245607 181452902 /nfs/dbraw/zinc/45/29/02/181452902.db2.gz YWOBZIZNEFPGRW-ZDUSSCGKSA-N 1 0 225.282 3.197 10 0 BGAERO COc1ccc(Cl)cc1/C(C)=C/CC[NH3+] ZINC000041246510 175120018 /nfs/dbraw/zinc/12/00/18/175120018.db2.gz YZORXWUECTXIRV-RUDMXATFSA-N 1 0 225.719 3.101 10 0 BGAERO CCC[C@@H](CC[NH2+]C)c1ccc(F)c(F)c1 ZINC000041248270 169382103 /nfs/dbraw/zinc/38/21/03/169382103.db2.gz YSLUTDCZNDYGRO-JTQLQIEISA-N 1 0 227.298 3.458 10 0 BGAERO CCC[C@@H](CC[NH2+]C)c1cc(F)cc(F)c1 ZINC000041248294 169381864 /nfs/dbraw/zinc/38/18/64/169381864.db2.gz ADYYANIRHYULPO-JTQLQIEISA-N 1 0 227.298 3.458 10 0 BGAERO CCC[C@H](CC[NH2+]C)c1cc(F)cc(F)c1 ZINC000041248297 169497832 /nfs/dbraw/zinc/49/78/32/169497832.db2.gz ADYYANIRHYULPO-SNVBAGLBSA-N 1 0 227.298 3.458 10 0 BGAERO COc1ccc(Cl)cc1[C@H](C[NH3+])C(C)C ZINC000041249264 175123366 /nfs/dbraw/zinc/12/33/66/175123366.db2.gz KNOSLTFZHDMESZ-LLVKDONJSA-N 1 0 227.735 3.047 10 0 BGAERO COc1ccc(Cl)cc1[C@@H](C[NH3+])C(C)C ZINC000041249267 175121820 /nfs/dbraw/zinc/12/18/20/175121820.db2.gz KNOSLTFZHDMESZ-NSHDSACASA-N 1 0 227.735 3.047 10 0 BGAERO Cc1cc(Cl)ccc1OCCCCC[NH3+] ZINC000041249372 178069311 /nfs/dbraw/zinc/06/93/11/178069311.db2.gz IJOSECLCCXCIQQ-UHFFFAOYSA-N 1 0 227.735 3.156 10 0 BGAERO Cc1cc(OCCCCC[NH3+])ccc1Cl ZINC000041249405 178209672 /nfs/dbraw/zinc/20/96/72/178209672.db2.gz KNQIPUQZNFFWEM-UHFFFAOYSA-N 1 0 227.735 3.156 10 0 BGAERO Cc1cc(OCCC[C@@H](C)[NH3+])ccc1Cl ZINC000041249408 178210816 /nfs/dbraw/zinc/21/08/16/178210816.db2.gz YASGOCLLICDSRW-SNVBAGLBSA-N 1 0 227.735 3.155 10 0 BGAERO Cc1cc(OCCC[C@H](C)[NH3+])ccc1Cl ZINC000041249411 178210976 /nfs/dbraw/zinc/21/09/76/178210976.db2.gz YASGOCLLICDSRW-JTQLQIEISA-N 1 0 227.735 3.155 10 0 BGAERO CC(C)COc1ccc(Cl)cc1[C@@H](C)[NH3+] ZINC000041249462 188119035 /nfs/dbraw/zinc/11/90/35/188119035.db2.gz XSDSIEDFPXRZCF-SECBINFHSA-N 1 0 227.735 3.395 10 0 BGAERO CC(C)COc1ccc(Cl)cc1[C@H](C)[NH3+] ZINC000041249465 188322625 /nfs/dbraw/zinc/32/26/25/188322625.db2.gz XSDSIEDFPXRZCF-VIFPVBQESA-N 1 0 227.735 3.395 10 0 BGAERO C/C(=C\CC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000041251071 188322497 /nfs/dbraw/zinc/32/24/97/188322497.db2.gz WMCFOSBMYVFCFV-YCRREMRBSA-N 1 0 229.245 3.458 10 0 BGAERO C[NH2+]C[C@H](C)COc1ccc2ccccc2c1 ZINC000041251622 173376081 /nfs/dbraw/zinc/37/60/81/173376081.db2.gz QEJUCPXLAOGZNG-LBPRGKRZSA-N 1 0 229.323 3.074 10 0 BGAERO C[NH2+]C[C@@H](C)COc1ccc2ccccc2c1 ZINC000041251625 173364292 /nfs/dbraw/zinc/36/42/92/173364292.db2.gz QEJUCPXLAOGZNG-GFCCVEGCSA-N 1 0 229.323 3.074 10 0 BGAERO [NH3+]CCCCCOc1ccc2ccccc2c1 ZINC000041251634 181375288 /nfs/dbraw/zinc/37/52/88/181375288.db2.gz SGYRYDFFAJTLDY-UHFFFAOYSA-N 1 0 229.323 3.348 10 0 BGAERO C[C@@H]([NH3+])CCCOc1ccc2ccccc2c1 ZINC000041251640 175804778 /nfs/dbraw/zinc/80/47/78/175804778.db2.gz DMCHLBZCYPDOIP-GFCCVEGCSA-N 1 0 229.323 3.346 10 0 BGAERO C[NH2+]C[C@H](C)COc1cccc2ccccc21 ZINC000041251651 173376283 /nfs/dbraw/zinc/37/62/83/173376283.db2.gz JANMGMJTIGLJPG-LBPRGKRZSA-N 1 0 229.323 3.074 10 0 BGAERO C[NH2+]C[C@@H](C)COc1cccc2ccccc21 ZINC000041251653 173364256 /nfs/dbraw/zinc/36/42/56/173364256.db2.gz JANMGMJTIGLJPG-GFCCVEGCSA-N 1 0 229.323 3.074 10 0 BGAERO CC(C)(C[NH3+])COc1cccc2ccccc21 ZINC000041251657 187265010 /nfs/dbraw/zinc/26/50/10/187265010.db2.gz DOTLLPBHZKLOFC-UHFFFAOYSA-N 1 0 229.323 3.204 10 0 BGAERO C[C@H]([NH3+])CCCOc1cccc2ccccc21 ZINC000041251658 176759391 /nfs/dbraw/zinc/75/93/91/176759391.db2.gz WBLCOSBWAKGQPK-LBPRGKRZSA-N 1 0 229.323 3.346 10 0 BGAERO C[NH2+]C[C@@H](c1c(F)cccc1Cl)C(C)C ZINC000041252016 173367220 /nfs/dbraw/zinc/36/72/20/173367220.db2.gz BLRQHHDSFWRWNI-SECBINFHSA-N 1 0 229.726 3.438 10 0 BGAERO C[NH2+]C[C@H](c1c(F)cccc1Cl)C(C)C ZINC000041252018 173377880 /nfs/dbraw/zinc/37/78/80/173377880.db2.gz BLRQHHDSFWRWNI-VIFPVBQESA-N 1 0 229.726 3.438 10 0 BGAERO CC(C)[C@H](C[NH3+])Cc1c(F)cccc1Cl ZINC000041252028 188323043 /nfs/dbraw/zinc/32/30/43/188323043.db2.gz NJUYHRHFPZTPTJ-VIFPVBQESA-N 1 0 229.726 3.253 10 0 BGAERO CC(C)[C@@H](C[NH3+])Cc1c(F)cccc1Cl ZINC000041252029 167396399 /nfs/dbraw/zinc/39/63/99/167396399.db2.gz NJUYHRHFPZTPTJ-SECBINFHSA-N 1 0 229.726 3.253 10 0 BGAERO [NH3+]CCC1(c2ccc(Cl)cc2Cl)CC1 ZINC000041252149 181370657 /nfs/dbraw/zinc/37/06/57/181370657.db2.gz NQYHORWPNQYTJX-UHFFFAOYSA-N 1 0 230.138 3.374 10 0 BGAERO [NH3+]CCC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000041252151 181370447 /nfs/dbraw/zinc/37/04/47/181370447.db2.gz QNXGPRJKZJQUFO-UHFFFAOYSA-N 1 0 230.138 3.374 10 0 BGAERO C[NH2+]CC[C@H](C)c1ccccc1C(F)(F)F ZINC000041257095 173358515 /nfs/dbraw/zinc/35/85/15/173358515.db2.gz NZNBELYSOCQWJW-VIFPVBQESA-N 1 0 231.261 3.418 10 0 BGAERO C[NH2+]CC[C@@H](C)c1ccccc1C(F)(F)F ZINC000041257097 173357907 /nfs/dbraw/zinc/35/79/07/173357907.db2.gz NZNBELYSOCQWJW-SECBINFHSA-N 1 0 231.261 3.418 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1cccc(C(F)(F)F)c1 ZINC000041257099 167397431 /nfs/dbraw/zinc/39/74/31/167397431.db2.gz CZDWTZPMSCLSSI-LLVKDONJSA-N 1 0 231.261 3.404 10 0 BGAERO C[NH2+]CC[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000041257111 173358585 /nfs/dbraw/zinc/35/85/85/173358585.db2.gz PRRZFXKSNNZFIC-VIFPVBQESA-N 1 0 231.261 3.418 10 0 BGAERO C[NH2+]CC[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000041257113 173357626 /nfs/dbraw/zinc/35/76/26/173357626.db2.gz PRRZFXKSNNZFIC-SECBINFHSA-N 1 0 231.261 3.418 10 0 BGAERO C[NH2+]CC[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000041257134 173358199 /nfs/dbraw/zinc/35/81/99/173358199.db2.gz PRMOMHHHBZGKEG-VIFPVBQESA-N 1 0 231.261 3.418 10 0 BGAERO C[NH2+]CC[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000041257136 173357646 /nfs/dbraw/zinc/35/76/46/173357646.db2.gz PRMOMHHHBZGKEG-SECBINFHSA-N 1 0 231.261 3.418 10 0 BGAERO C[NH2+]CC(C)(C)c1ccc(Cl)cc1Cl ZINC000041258422 173337502 /nfs/dbraw/zinc/33/75/02/173337502.db2.gz PQRZSSCOQIEDSS-UHFFFAOYSA-N 1 0 232.154 3.490 10 0 BGAERO C[NH2+]CC(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000041258430 173337466 /nfs/dbraw/zinc/33/74/66/173337466.db2.gz SHJFZIXXXANCLQ-UHFFFAOYSA-N 1 0 232.154 3.490 10 0 BGAERO Cc1ccccc1-c1nc(CCC[NH3+])cs1 ZINC000041259549 179237799 /nfs/dbraw/zinc/23/77/99/179237799.db2.gz DQISDYCDPWIQMJ-UHFFFAOYSA-N 1 0 232.352 3.010 10 0 BGAERO Cc1ccc(-c2nc(CCC[NH3+])cs2)cc1 ZINC000041259557 178334936 /nfs/dbraw/zinc/33/49/36/178334936.db2.gz WZDBBXNVTWOAEU-UHFFFAOYSA-N 1 0 232.352 3.010 10 0 BGAERO C[NH2+]C[C@H](C)c1nc(-c2ccccc2)cs1 ZINC000041259589 173376271 /nfs/dbraw/zinc/37/62/71/173376271.db2.gz ZACJJDABVRMCRA-JTQLQIEISA-N 1 0 232.352 3.133 10 0 BGAERO C[NH2+]C[C@@H](C)c1nc(-c2ccccc2)cs1 ZINC000041259591 173364861 /nfs/dbraw/zinc/36/48/61/173364861.db2.gz ZACJJDABVRMCRA-SNVBAGLBSA-N 1 0 232.352 3.133 10 0 BGAERO CC(C)(C)c1ccccc1NC[C@H]1CCC[NH2+]1 ZINC000041259843 187265178 /nfs/dbraw/zinc/26/51/78/187265178.db2.gz IVPNLYMJJMGOQA-GFCCVEGCSA-N 1 0 232.371 3.148 10 0 BGAERO CC(C)(C)c1ccc(NC[C@@H]2CCC[NH2+]2)cc1 ZINC000041259845 188293172 /nfs/dbraw/zinc/29/31/72/188293172.db2.gz LMGQBWOWRLLCDH-AWEZNQCLSA-N 1 0 232.371 3.148 10 0 BGAERO CC(C)(C)c1ccc(NC[C@H]2CCC[NH2+]2)cc1 ZINC000041259847 187265177 /nfs/dbraw/zinc/26/51/77/187265177.db2.gz LMGQBWOWRLLCDH-CQSZACIVSA-N 1 0 232.371 3.148 10 0 BGAERO CC(C)c1ccc(NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000041259857 167606010 /nfs/dbraw/zinc/60/60/10/167606010.db2.gz WGCYVWJTXCWIPW-CYBMUJFWSA-N 1 0 232.371 3.222 10 0 BGAERO CC(C)c1ccc(NC[C@H]2CCC[NH2+]C2)cc1 ZINC000041259859 167606558 /nfs/dbraw/zinc/60/65/58/167606558.db2.gz WGCYVWJTXCWIPW-ZDUSSCGKSA-N 1 0 232.371 3.222 10 0 BGAERO Cc1cc(C)c(NC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000041259861 177866724 /nfs/dbraw/zinc/86/67/24/177866724.db2.gz HPFFAPHZGCASDY-CQSZACIVSA-N 1 0 232.371 3.023 10 0 BGAERO Cc1cc(C)c(NC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000041259863 177867404 /nfs/dbraw/zinc/86/74/04/177867404.db2.gz HPFFAPHZGCASDY-AWEZNQCLSA-N 1 0 232.371 3.023 10 0 BGAERO Cc1ccc(NCC[NH+]2CCCCC2)c(C)c1 ZINC000041259891 178758958 /nfs/dbraw/zinc/75/89/58/178758958.db2.gz XVXZDZQVTSHMEL-UHFFFAOYSA-N 1 0 232.371 3.201 10 0 BGAERO Cc1cccc(C)c1NCC[NH+]1CCCCC1 ZINC000041259899 179043966 /nfs/dbraw/zinc/04/39/66/179043966.db2.gz DMTRZJIKCSKZPR-UHFFFAOYSA-N 1 0 232.371 3.201 10 0 BGAERO Cc1cccc(NCC[NH+]2CCCCC2)c1C ZINC000041259901 179145631 /nfs/dbraw/zinc/14/56/31/179145631.db2.gz VDKLEWBSQOCGBR-UHFFFAOYSA-N 1 0 232.371 3.201 10 0 BGAERO Cc1ccccc1NCC[NH+]1CCCCCC1 ZINC000041259908 179304513 /nfs/dbraw/zinc/30/45/13/179304513.db2.gz PVPARXHRQZMTLS-UHFFFAOYSA-N 1 0 232.371 3.283 10 0 BGAERO Cc1cccc(NCC[NH+]2CCCCCC2)c1 ZINC000041259910 179145045 /nfs/dbraw/zinc/14/50/45/179145045.db2.gz IBFFUPLIGHKXMS-UHFFFAOYSA-N 1 0 232.371 3.283 10 0 BGAERO Cc1ccccc1NCC[NH+]1CCC(C)CC1 ZINC000041259916 179304319 /nfs/dbraw/zinc/30/43/19/179304319.db2.gz VYRVKXGJMBQJAB-UHFFFAOYSA-N 1 0 232.371 3.139 10 0 BGAERO Cc1cccc(NCC[NH+]2CCC(C)CC2)c1 ZINC000041259918 179145385 /nfs/dbraw/zinc/14/53/85/179145385.db2.gz UDWPKRVVXHFCQO-UHFFFAOYSA-N 1 0 232.371 3.139 10 0 BGAERO Cc1ccc(NCCC[NH+]2CCCC2)c(C)c1 ZINC000041259928 178758360 /nfs/dbraw/zinc/75/83/60/178758360.db2.gz OWTOTDNOCKKYBQ-UHFFFAOYSA-N 1 0 232.371 3.201 10 0 BGAERO Cc1cc(C)cc(NCCC[NH+]2CCCC2)c1 ZINC000041259934 177908411 /nfs/dbraw/zinc/90/84/11/177908411.db2.gz JNXVMODOUZNYRE-UHFFFAOYSA-N 1 0 232.371 3.201 10 0 BGAERO Cc1cccc(C)c1NCCC[NH+]1CCCC1 ZINC000041259936 179044316 /nfs/dbraw/zinc/04/43/16/179044316.db2.gz FBKCAWIJNDMXLX-UHFFFAOYSA-N 1 0 232.371 3.201 10 0 BGAERO Cc1cccc(NCCC[NH+]2CCCC2)c1C ZINC000041259938 179143463 /nfs/dbraw/zinc/14/34/63/179143463.db2.gz UJQJRTNWNRAJGL-UHFFFAOYSA-N 1 0 232.371 3.201 10 0 BGAERO Fc1ccccc1[C@H]1[NH2+]CCc2sccc21 ZINC000041260642 631240669 /nfs/dbraw/zinc/24/06/69/631240669.db2.gz BTMQBCBKHKAVDG-CYBMUJFWSA-N 1 0 233.311 3.122 10 0 BGAERO Fc1ccccc1[C@@H]1[NH2+]CCc2sccc21 ZINC000041260644 631241176 /nfs/dbraw/zinc/24/11/76/631241176.db2.gz BTMQBCBKHKAVDG-ZDUSSCGKSA-N 1 0 233.311 3.122 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])s2)cc1C ZINC000041261215 175033344 /nfs/dbraw/zinc/03/33/44/175033344.db2.gz MPKADWQTOKSJPJ-UHFFFAOYSA-N 1 0 233.336 3.191 10 0 BGAERO COc1ccc(C)cc1-c1ccc(C[NH3+])s1 ZINC000041261217 175072049 /nfs/dbraw/zinc/07/20/49/175072049.db2.gz KTXDISSHVYSQCN-UHFFFAOYSA-N 1 0 233.336 3.191 10 0 BGAERO COc1ccccc1CCC[NH2+]C1CCCC1 ZINC000041261276 175322778 /nfs/dbraw/zinc/32/27/78/175322778.db2.gz WFJCBJATCBWYFY-UHFFFAOYSA-N 1 0 233.355 3.160 10 0 BGAERO COc1cccc(CCC[NH2+]C2CCCC2)c1 ZINC000041261278 175252122 /nfs/dbraw/zinc/25/21/22/175252122.db2.gz ZCUFHTRRRRLQKM-UHFFFAOYSA-N 1 0 233.355 3.160 10 0 BGAERO C[NH2+]C[C@@H](c1ccccc1OC)C1CCCC1 ZINC000041261348 173367184 /nfs/dbraw/zinc/36/71/84/173367184.db2.gz QNOUEXLGDVXOQT-CQSZACIVSA-N 1 0 233.355 3.188 10 0 BGAERO C[NH2+]C[C@H](c1ccccc1OC)C1CCCC1 ZINC000041261350 173377842 /nfs/dbraw/zinc/37/78/42/173377842.db2.gz QNOUEXLGDVXOQT-AWEZNQCLSA-N 1 0 233.355 3.188 10 0 BGAERO COc1ccccc1CC[NH2+]CC1CCCC1 ZINC000041261352 175323172 /nfs/dbraw/zinc/32/31/72/175323172.db2.gz REMIBHYQZCPTPI-UHFFFAOYSA-N 1 0 233.355 3.018 10 0 BGAERO C[NH2+]C[C@@H](c1cccc(OC)c1)C1CCCC1 ZINC000041261356 173366681 /nfs/dbraw/zinc/36/66/81/173366681.db2.gz OSDLXLMHKHUIFL-OAHLLOKOSA-N 1 0 233.355 3.188 10 0 BGAERO C[NH2+]C[C@H](c1cccc(OC)c1)C1CCCC1 ZINC000041261358 173377989 /nfs/dbraw/zinc/37/79/89/173377989.db2.gz OSDLXLMHKHUIFL-HNNXBMFYSA-N 1 0 233.355 3.188 10 0 BGAERO COc1cccc(CC[NH2+]CC2CCCC2)c1 ZINC000041261360 175252711 /nfs/dbraw/zinc/25/27/11/175252711.db2.gz VAXMFCVNPINYLI-UHFFFAOYSA-N 1 0 233.355 3.018 10 0 BGAERO C[NH2+]C[C@@H](c1ccc(OC)cc1)C1CCCC1 ZINC000041261364 173367313 /nfs/dbraw/zinc/36/73/13/173367313.db2.gz ZHUCNCGJVHKQGD-OAHLLOKOSA-N 1 0 233.355 3.188 10 0 BGAERO C[NH2+]C[C@H](c1ccc(OC)cc1)C1CCCC1 ZINC000041261366 173378064 /nfs/dbraw/zinc/37/80/64/173378064.db2.gz ZHUCNCGJVHKQGD-HNNXBMFYSA-N 1 0 233.355 3.188 10 0 BGAERO COc1ccc(CC[NH2+]CC2CCCC2)cc1 ZINC000041261368 175091886 /nfs/dbraw/zinc/09/18/86/175091886.db2.gz HDASVTHPCJHQNT-UHFFFAOYSA-N 1 0 233.355 3.018 10 0 BGAERO CC(C)Oc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000041261685 167292340 /nfs/dbraw/zinc/29/23/40/167292340.db2.gz VBNFESNCSRREOH-UHFFFAOYSA-N 1 0 233.355 3.016 10 0 BGAERO CC(C)Oc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000041261687 167293714 /nfs/dbraw/zinc/29/37/14/167293714.db2.gz HLJULXBAZJXWIZ-AWEZNQCLSA-N 1 0 233.355 3.016 10 0 BGAERO CC(C)Oc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000041261689 167295014 /nfs/dbraw/zinc/29/50/14/167295014.db2.gz HLJULXBAZJXWIZ-CQSZACIVSA-N 1 0 233.355 3.016 10 0 BGAERO CC(C)Oc1ccc([C@@H](CC[NH3+])C2CC2)cc1 ZINC000041261691 167299045 /nfs/dbraw/zinc/29/90/45/167299045.db2.gz JQDHDVFXWJWKOA-HNNXBMFYSA-N 1 0 233.355 3.316 10 0 BGAERO CC(C)Oc1ccc([C@H](CC[NH3+])C2CC2)cc1 ZINC000041261693 167300885 /nfs/dbraw/zinc/30/08/85/167300885.db2.gz JQDHDVFXWJWKOA-OAHLLOKOSA-N 1 0 233.355 3.316 10 0 BGAERO c1ccc(OCCC[NH2+]CC2CCCC2)cc1 ZINC000041261754 183419144 /nfs/dbraw/zinc/41/91/44/183419144.db2.gz YHPJZYNAVRXOIN-UHFFFAOYSA-N 1 0 233.355 3.235 10 0 BGAERO Cc1ccccc1OCC[NH2+]CC1CCCC1 ZINC000041261756 179311090 /nfs/dbraw/zinc/31/10/90/179311090.db2.gz ZOFXTYMXPZITQV-UHFFFAOYSA-N 1 0 233.355 3.154 10 0 BGAERO Cc1cccc(OCC[NH2+]CC2CCCC2)c1 ZINC000041261760 179167622 /nfs/dbraw/zinc/16/76/22/179167622.db2.gz NYBBFJKBIWIYIQ-UHFFFAOYSA-N 1 0 233.355 3.154 10 0 BGAERO CC(C)(C)c1cccc(OC[C@@H]2CCC[NH2+]2)c1 ZINC000041261774 187265071 /nfs/dbraw/zinc/26/50/71/187265071.db2.gz BJBSSEZBVRJMGE-ZDUSSCGKSA-N 1 0 233.355 3.115 10 0 BGAERO [NH3+]CCCCCOc1ccc2c(c1)CCCC2 ZINC000041261807 181374933 /nfs/dbraw/zinc/37/49/33/181374933.db2.gz ZJTUPDSFYBBNCZ-UHFFFAOYSA-N 1 0 233.355 3.073 10 0 BGAERO [NH3+]CCCCCOc1cccc2c1CCCC2 ZINC000041261831 181375320 /nfs/dbraw/zinc/37/53/20/181375320.db2.gz MEZXGXLTAHVNDL-UHFFFAOYSA-N 1 0 233.355 3.073 10 0 BGAERO C[NH+](C)CCCNc1ccc(C(C)(C)C)cc1 ZINC000041264601 172444004 /nfs/dbraw/zinc/44/40/04/172444004.db2.gz TUMAMKKREFSBKJ-UHFFFAOYSA-N 1 0 234.387 3.348 10 0 BGAERO CCOc1cccc(CCC[NH2+]CC(C)C)c1 ZINC000041267466 170572988 /nfs/dbraw/zinc/57/29/88/170572988.db2.gz XZLPGONSABQWMR-UHFFFAOYSA-N 1 0 235.371 3.264 10 0 BGAERO CCOc1ccc(CCC[NH2+]CC(C)C)cc1 ZINC000041267470 170541960 /nfs/dbraw/zinc/54/19/60/170541960.db2.gz FTLXAOIYUCUHDH-UHFFFAOYSA-N 1 0 235.371 3.264 10 0 BGAERO COc1ccc(CC[NH2+]CC(C)(C)C)cc1C ZINC000041267517 175091268 /nfs/dbraw/zinc/09/12/68/175091268.db2.gz VBPIMKPKMGPJGU-UHFFFAOYSA-N 1 0 235.371 3.182 10 0 BGAERO COc1ccc(C[C@@H](CC[NH3+])C(C)C)cc1C ZINC000041267520 175115534 /nfs/dbraw/zinc/11/55/34/175115534.db2.gz ONOCEQDWFYHKEZ-CQSZACIVSA-N 1 0 235.371 3.167 10 0 BGAERO COc1ccc(C[C@H](CC[NH3+])C(C)C)cc1C ZINC000041267524 175117338 /nfs/dbraw/zinc/11/73/38/175117338.db2.gz ONOCEQDWFYHKEZ-AWEZNQCLSA-N 1 0 235.371 3.167 10 0 BGAERO COc1ccc(C)cc1C[C@H](CC[NH3+])C(C)C ZINC000041267536 175076964 /nfs/dbraw/zinc/07/69/64/175076964.db2.gz OBRAGLSSXPDPEA-ZDUSSCGKSA-N 1 0 235.371 3.167 10 0 BGAERO CCc1cc([C@H](C[NH3+])CC(C)C)ccc1OC ZINC000041267568 171774709 /nfs/dbraw/zinc/77/47/09/171774709.db2.gz HTAZYNPPXCGLOT-AWEZNQCLSA-N 1 0 235.371 3.346 10 0 BGAERO CCc1cc(C[C@H](C[NH3+])C(C)C)ccc1OC ZINC000041267580 171759923 /nfs/dbraw/zinc/75/99/23/171759923.db2.gz LQXZRCRLQFILMT-CQSZACIVSA-N 1 0 235.371 3.031 10 0 BGAERO COc1ccc(C[C@@H](C)CC[NH3+])cc1C(C)C ZINC000041267600 175114943 /nfs/dbraw/zinc/11/49/43/175114943.db2.gz OWTPGWIKIJCKLV-LBPRGKRZSA-N 1 0 235.371 3.346 10 0 BGAERO COc1ccc(C[C@H](C)CC[NH3+])cc1C(C)C ZINC000041267604 175116356 /nfs/dbraw/zinc/11/63/56/175116356.db2.gz OWTPGWIKIJCKLV-GFCCVEGCSA-N 1 0 235.371 3.346 10 0 BGAERO CCc1ccc(OC)c([C@H](C[NH3+])CC(C)C)c1 ZINC000041267650 171826088 /nfs/dbraw/zinc/82/60/88/171826088.db2.gz WCKDBLHNXYHIEA-ZDUSSCGKSA-N 1 0 235.371 3.346 10 0 BGAERO CCc1ccc(OC)c(C[C@@H](C[NH3+])C(C)C)c1 ZINC000041267659 171824992 /nfs/dbraw/zinc/82/49/92/171824992.db2.gz OESOQLBEIZCARI-AWEZNQCLSA-N 1 0 235.371 3.031 10 0 BGAERO COc1ccc(C(C)C)cc1C[C@@H](C)CC[NH3+] ZINC000041267684 175069233 /nfs/dbraw/zinc/06/92/33/175069233.db2.gz AVBUDTYVPXCODP-LBPRGKRZSA-N 1 0 235.371 3.346 10 0 BGAERO COc1ccc(C(C)C)cc1C[C@H](C)CC[NH3+] ZINC000041267688 175069254 /nfs/dbraw/zinc/06/92/54/175069254.db2.gz AVBUDTYVPXCODP-GFCCVEGCSA-N 1 0 235.371 3.346 10 0 BGAERO CCOc1cc(C)c([C@@H](CC)C[NH2+]C)cc1C ZINC000041267875 170519666 /nfs/dbraw/zinc/51/96/66/170519666.db2.gz MKPWBKJXILVHOM-ZDUSSCGKSA-N 1 0 235.371 3.415 10 0 BGAERO CCOc1cc(C)c([C@@H](C)CC[NH2+]C)cc1C ZINC000041267903 170519277 /nfs/dbraw/zinc/51/92/77/170519277.db2.gz ZORNJJDLEQNGDQ-NSHDSACASA-N 1 0 235.371 3.415 10 0 BGAERO C[NH2+]CC[C@@H](c1ccccc1OC)C(C)(C)C ZINC000041267928 173358132 /nfs/dbraw/zinc/35/81/32/173358132.db2.gz XBZJMIDMFBMOTH-ZDUSSCGKSA-N 1 0 235.371 3.434 10 0 BGAERO C[NH2+]CC[C@H](c1ccccc1OC)C(C)(C)C ZINC000041267932 173359068 /nfs/dbraw/zinc/35/90/68/173359068.db2.gz XBZJMIDMFBMOTH-CYBMUJFWSA-N 1 0 235.371 3.434 10 0 BGAERO C[NH2+]CC[C@@H](c1cccc(OC)c1)C(C)(C)C ZINC000041267946 173358491 /nfs/dbraw/zinc/35/84/91/173358491.db2.gz WYRUHFBPOANPJY-AWEZNQCLSA-N 1 0 235.371 3.434 10 0 BGAERO C[NH2+]CC[C@H](c1cccc(OC)c1)C(C)(C)C ZINC000041267949 173358993 /nfs/dbraw/zinc/35/89/93/173358993.db2.gz WYRUHFBPOANPJY-CQSZACIVSA-N 1 0 235.371 3.434 10 0 BGAERO CC(C)C[NH2+]CCOc1cccc(C(C)C)c1 ZINC000041268077 167005159 /nfs/dbraw/zinc/00/51/59/167005159.db2.gz ZXZJNXQLROXOOX-UHFFFAOYSA-N 1 0 235.371 3.434 10 0 BGAERO C[NH2+]CC[C@H](C)Oc1ccccc1C(C)(C)C ZINC000041268101 173358444 /nfs/dbraw/zinc/35/84/44/173358444.db2.gz PKLGKIHQYNUCID-LBPRGKRZSA-N 1 0 235.371 3.361 10 0 BGAERO C[NH2+]CC[C@@H](C)Oc1ccccc1C(C)(C)C ZINC000041268105 173357702 /nfs/dbraw/zinc/35/77/02/173357702.db2.gz PKLGKIHQYNUCID-GFCCVEGCSA-N 1 0 235.371 3.361 10 0 BGAERO C[NH2+]C[C@H](C)COc1ccccc1C(C)(C)C ZINC000041268110 173376115 /nfs/dbraw/zinc/37/61/15/173376115.db2.gz VSJUCIVDCPAQQV-LBPRGKRZSA-N 1 0 235.371 3.218 10 0 BGAERO C[NH2+]C[C@@H](C)COc1ccccc1C(C)(C)C ZINC000041268113 173363804 /nfs/dbraw/zinc/36/38/04/173363804.db2.gz VSJUCIVDCPAQQV-GFCCVEGCSA-N 1 0 235.371 3.218 10 0 BGAERO C[C@H](C[NH3+])CCOc1ccccc1C(C)(C)C ZINC000041268137 176658602 /nfs/dbraw/zinc/65/86/02/176658602.db2.gz QCCZTHBVJSFZIU-LBPRGKRZSA-N 1 0 235.371 3.348 10 0 BGAERO C[C@@H](C[NH3+])CCOc1ccccc1C(C)(C)C ZINC000041268141 175706834 /nfs/dbraw/zinc/70/68/34/175706834.db2.gz QCCZTHBVJSFZIU-GFCCVEGCSA-N 1 0 235.371 3.348 10 0 BGAERO C[NH2+]CC[C@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000041268150 173358549 /nfs/dbraw/zinc/35/85/49/173358549.db2.gz ZTYPTDIQBCYPFF-LBPRGKRZSA-N 1 0 235.371 3.361 10 0 BGAERO C[NH2+]CC[C@@H](C)Oc1cccc(C(C)(C)C)c1 ZINC000041268155 173357704 /nfs/dbraw/zinc/35/77/04/173357704.db2.gz ZTYPTDIQBCYPFF-GFCCVEGCSA-N 1 0 235.371 3.361 10 0 BGAERO C[NH2+]C[C@H](C)COc1cccc(C(C)(C)C)c1 ZINC000041268159 173376088 /nfs/dbraw/zinc/37/60/88/173376088.db2.gz AORPIXIHGUFOEI-LBPRGKRZSA-N 1 0 235.371 3.218 10 0 BGAERO C[NH2+]C[C@@H](C)COc1cccc(C(C)(C)C)c1 ZINC000041268163 173364327 /nfs/dbraw/zinc/36/43/27/173364327.db2.gz AORPIXIHGUFOEI-GFCCVEGCSA-N 1 0 235.371 3.218 10 0 BGAERO C[C@H]([NH3+])CCCOc1cccc(C(C)(C)C)c1 ZINC000041268179 176758819 /nfs/dbraw/zinc/75/88/19/176758819.db2.gz ZKNFGVWDLPBQOE-LBPRGKRZSA-N 1 0 235.371 3.490 10 0 BGAERO C[NH2+]CC[C@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000041268200 173358470 /nfs/dbraw/zinc/35/84/70/173358470.db2.gz MMPVIBIIAZVUKG-LBPRGKRZSA-N 1 0 235.371 3.361 10 0 BGAERO C[NH2+]CC[C@@H](C)Oc1ccc(C(C)(C)C)cc1 ZINC000041268204 173357472 /nfs/dbraw/zinc/35/74/72/173357472.db2.gz MMPVIBIIAZVUKG-GFCCVEGCSA-N 1 0 235.371 3.361 10 0 BGAERO C[NH2+]C[C@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000041268208 173375586 /nfs/dbraw/zinc/37/55/86/173375586.db2.gz XBQMEQLINHIWCU-LBPRGKRZSA-N 1 0 235.371 3.218 10 0 BGAERO C[NH2+]C[C@@H](C)COc1ccc(C(C)(C)C)cc1 ZINC000041268212 173364021 /nfs/dbraw/zinc/36/40/21/173364021.db2.gz XBQMEQLINHIWCU-GFCCVEGCSA-N 1 0 235.371 3.218 10 0 BGAERO CC(C)(C)c1ccc(OCCCCC[NH3+])cc1 ZINC000041268224 187946586 /nfs/dbraw/zinc/94/65/86/187946586.db2.gz HEDBKCYIYUEUKF-UHFFFAOYSA-N 1 0 235.371 3.492 10 0 BGAERO Cc1cccc(OCC[NH2+]CC(C)(C)C)c1C ZINC000041268267 179168291 /nfs/dbraw/zinc/16/82/91/179168291.db2.gz KNARZZXXWDOOTI-UHFFFAOYSA-N 1 0 235.371 3.318 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1c(C)ccc(C)c1C ZINC000041268291 173375723 /nfs/dbraw/zinc/37/57/23/173375723.db2.gz UGPVQPPUSAUSEO-LLVKDONJSA-N 1 0 235.371 3.236 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1c(C)ccc(C)c1C ZINC000041268295 173364305 /nfs/dbraw/zinc/36/43/05/173364305.db2.gz UGPVQPPUSAUSEO-NSHDSACASA-N 1 0 235.371 3.236 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1cc(C)c(C)cc1C ZINC000041268310 173375251 /nfs/dbraw/zinc/37/52/51/173375251.db2.gz HEBHAWYZPAZJNF-LLVKDONJSA-N 1 0 235.371 3.236 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1cc(C)c(C)cc1C ZINC000041268313 173363948 /nfs/dbraw/zinc/36/39/48/173363948.db2.gz HEBHAWYZPAZJNF-NSHDSACASA-N 1 0 235.371 3.236 10 0 BGAERO Cc1cc(C)c(OCC[NH2+]CC(C)C)cc1C ZINC000041268324 177868078 /nfs/dbraw/zinc/86/80/78/177868078.db2.gz MNWFQSUVIRJODR-UHFFFAOYSA-N 1 0 235.371 3.236 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1c(C)cc(C)cc1C ZINC000041268328 173375237 /nfs/dbraw/zinc/37/52/37/173375237.db2.gz ZOJAYUJRTFGGJX-LLVKDONJSA-N 1 0 235.371 3.236 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1c(C)cc(C)cc1C ZINC000041268331 173363714 /nfs/dbraw/zinc/36/37/14/173363714.db2.gz ZOJAYUJRTFGGJX-NSHDSACASA-N 1 0 235.371 3.236 10 0 BGAERO CC(C)(C)c1ccc([C@H]2CSCC[NH2+]2)cc1 ZINC000041268407 187265084 /nfs/dbraw/zinc/26/50/84/187265084.db2.gz ACIOBBOPCMCKHH-CYBMUJFWSA-N 1 0 235.396 3.362 10 0 BGAERO [NH3+]Cc1cn(Cc2ccccc2)c2ccccc12 ZINC000041271221 388435356 /nfs/dbraw/zinc/43/53/56/388435356.db2.gz NDVZKPORCZTJLW-UHFFFAOYSA-N 1 0 236.318 3.148 10 0 BGAERO Fc1ccccc1NCC[NH+]1CCCCCC1 ZINC000041271341 181014347 /nfs/dbraw/zinc/01/43/47/181014347.db2.gz WGZFLHHJBQLZOR-UHFFFAOYSA-N 1 0 236.334 3.114 10 0 BGAERO Fc1cccc(NCC[NH+]2CCCCCC2)c1 ZINC000041271348 181001531 /nfs/dbraw/zinc/00/15/31/181001531.db2.gz DFCOZQZEMQYDDG-UHFFFAOYSA-N 1 0 236.334 3.114 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])s2)cc1F ZINC000041278343 175033330 /nfs/dbraw/zinc/03/33/30/175033330.db2.gz KLEYAFJPUNEBKX-UHFFFAOYSA-N 1 0 237.299 3.022 10 0 BGAERO COc1ccc(F)cc1-c1ccc(C[NH3+])s1 ZINC000041278345 175127279 /nfs/dbraw/zinc/12/72/79/175127279.db2.gz KJTKKYNEOZBEDU-UHFFFAOYSA-N 1 0 237.299 3.022 10 0 BGAERO Fc1cccc(OCCC[NH2+]C2CCCC2)c1 ZINC000041278822 181003159 /nfs/dbraw/zinc/00/31/59/181003159.db2.gz BZMZPQDKDYVZCK-UHFFFAOYSA-N 1 0 237.318 3.127 10 0 BGAERO C[NH2+]C[C@H](C)c1nc(-c2cccs2)cs1 ZINC000041280721 173375968 /nfs/dbraw/zinc/37/59/68/173375968.db2.gz BKWLMIYARVBQAH-QMMMGPOBSA-N 1 0 238.381 3.195 10 0 BGAERO C[NH2+]C[C@@H](C)c1nc(-c2cccs2)cs1 ZINC000041280724 173365076 /nfs/dbraw/zinc/36/50/76/173365076.db2.gz BKWLMIYARVBQAH-MRVPVSSYSA-N 1 0 238.381 3.195 10 0 BGAERO Cc1cc(Cl)ccc1NCC1CC[NH2+]CC1 ZINC000041281280 187265200 /nfs/dbraw/zinc/26/52/00/187265200.db2.gz MLQLIMDDONOGKT-UHFFFAOYSA-N 1 0 238.762 3.060 10 0 BGAERO Cc1c(Cl)cccc1NC[C@@H]1CCC[NH2+]C1 ZINC000041281292 177602146 /nfs/dbraw/zinc/60/21/46/177602146.db2.gz PHAAPCLQWIZIHX-LLVKDONJSA-N 1 0 238.762 3.060 10 0 BGAERO Cc1ccc(Cl)cc1NC[C@H]1CCC[NH2+]C1 ZINC000041281301 187265043 /nfs/dbraw/zinc/26/50/43/187265043.db2.gz FAYTUWCFVQGNMO-NSHDSACASA-N 1 0 238.762 3.060 10 0 BGAERO Clc1ccccc1NCC[NH+]1CCCCC1 ZINC000041281329 358282038 /nfs/dbraw/zinc/28/20/38/358282038.db2.gz TZSXIMBJRUIXFV-UHFFFAOYSA-N 1 0 238.762 3.238 10 0 BGAERO Clc1cccc(NCCC[NH+]2CCCC2)c1 ZINC000041281340 180591481 /nfs/dbraw/zinc/59/14/81/180591481.db2.gz CGUYPQDRDFJEBP-UHFFFAOYSA-N 1 0 238.762 3.238 10 0 BGAERO COc1ccc(F)cc1CC[NH2+]CC(C)(C)C ZINC000041282296 175129257 /nfs/dbraw/zinc/12/92/57/175129257.db2.gz PTPJYRHTCHZLGX-UHFFFAOYSA-N 1 0 239.334 3.013 10 0 BGAERO C[NH2+]CC[C@H](c1ccc(OC)c(F)c1)C(C)C ZINC000041282307 173358997 /nfs/dbraw/zinc/35/89/97/173358997.db2.gz MADLRODPBBVVBX-LBPRGKRZSA-N 1 0 239.334 3.183 10 0 BGAERO C[NH2+]CC[C@@H](c1cc(F)ccc1OC)C(C)C ZINC000041282310 173358624 /nfs/dbraw/zinc/35/86/24/173358624.db2.gz ZBHPGLNTRCURSR-GFCCVEGCSA-N 1 0 239.334 3.183 10 0 BGAERO C[NH2+]CC[C@H](c1cc(F)ccc1OC)C(C)C ZINC000041282312 173358855 /nfs/dbraw/zinc/35/88/55/173358855.db2.gz ZBHPGLNTRCURSR-LBPRGKRZSA-N 1 0 239.334 3.183 10 0 BGAERO Cc1ccccc1C[C@H](C[NH3+])Cc1ccccc1 ZINC000041282509 179291903 /nfs/dbraw/zinc/29/19/03/179291903.db2.gz WDBLZZHJFGOGKV-MRXNPFEDSA-N 1 0 239.362 3.355 10 0 BGAERO Cc1ccccc1C[C@@H](C[NH3+])Cc1ccccc1 ZINC000041282511 179289760 /nfs/dbraw/zinc/28/97/60/179289760.db2.gz WDBLZZHJFGOGKV-INIZCTEOSA-N 1 0 239.362 3.355 10 0 BGAERO Cc1cccc(C[C@H](C[NH3+])Cc2ccccc2)c1 ZINC000041282514 179104615 /nfs/dbraw/zinc/10/46/15/179104615.db2.gz PMVIPOYEDGQBMZ-QGZVFWFLSA-N 1 0 239.362 3.355 10 0 BGAERO COc1ccc(Cl)cc1C[C@@H]1CCCC[NH2+]1 ZINC000041282917 175121089 /nfs/dbraw/zinc/12/10/89/175121089.db2.gz CENWOSCAHMXWEO-LBPRGKRZSA-N 1 0 239.746 3.033 10 0 BGAERO COc1ccc(Cl)cc1C[C@H]1CCCC[NH2+]1 ZINC000041282920 175121304 /nfs/dbraw/zinc/12/13/04/175121304.db2.gz CENWOSCAHMXWEO-GFCCVEGCSA-N 1 0 239.746 3.033 10 0 BGAERO Cc1cc(Cl)ccc1OCC[NH2+]CC1CC1 ZINC000041283009 178068831 /nfs/dbraw/zinc/06/88/31/178068831.db2.gz HBNUQNXREGKHHN-UHFFFAOYSA-N 1 0 239.746 3.027 10 0 BGAERO Cc1cc(OCC[NH2+]CC2CC2)ccc1Cl ZINC000041283012 178210552 /nfs/dbraw/zinc/21/05/52/178210552.db2.gz BCXRKCASMNMJPQ-UHFFFAOYSA-N 1 0 239.746 3.027 10 0 BGAERO CC[NH+](CC)CCNc1ccc(Cl)cc1C ZINC000041284529 169782036 /nfs/dbraw/zinc/78/20/36/169782036.db2.gz CIDCCWADYKTULS-UHFFFAOYSA-N 1 0 240.778 3.402 10 0 BGAERO C[NH2+]CC[C@H](C)Cc1ccc(OC)c(Cl)c1 ZINC000041286043 173358487 /nfs/dbraw/zinc/35/84/87/173358487.db2.gz OUNBSZJGNQMSJW-JTQLQIEISA-N 1 0 241.762 3.137 10 0 BGAERO C[NH2+]CC[C@@H](C)Cc1ccc(OC)c(Cl)c1 ZINC000041286046 173357302 /nfs/dbraw/zinc/35/73/02/173357302.db2.gz OUNBSZJGNQMSJW-SNVBAGLBSA-N 1 0 241.762 3.137 10 0 BGAERO COc1ccc(CC[NH2+]CC(C)C)cc1Cl ZINC000041286061 175091386 /nfs/dbraw/zinc/09/13/86/175091386.db2.gz HFUVOQWCIGKWID-UHFFFAOYSA-N 1 0 241.762 3.137 10 0 BGAERO C[NH2+]CC[C@H](C)Cc1cc(Cl)ccc1OC ZINC000041286076 173358318 /nfs/dbraw/zinc/35/83/18/173358318.db2.gz JJHRAEAGIBLOFQ-JTQLQIEISA-N 1 0 241.762 3.137 10 0 BGAERO C[NH2+]CC[C@@H](C)Cc1cc(Cl)ccc1OC ZINC000041286079 173357541 /nfs/dbraw/zinc/35/75/41/173357541.db2.gz JJHRAEAGIBLOFQ-SNVBAGLBSA-N 1 0 241.762 3.137 10 0 BGAERO C[NH2+]C[C@@H](c1cc(Cl)ccc1OC)C(C)C ZINC000041286082 173367268 /nfs/dbraw/zinc/36/72/68/173367268.db2.gz AHMXYSAUMMGENB-GFCCVEGCSA-N 1 0 241.762 3.308 10 0 BGAERO C[NH2+]C[C@H](c1cc(Cl)ccc1OC)C(C)C ZINC000041286085 173378181 /nfs/dbraw/zinc/37/81/81/173378181.db2.gz AHMXYSAUMMGENB-LBPRGKRZSA-N 1 0 241.762 3.308 10 0 BGAERO COc1ccc(Cl)cc1CC[NH2+]CC(C)C ZINC000041286094 175120239 /nfs/dbraw/zinc/12/02/39/175120239.db2.gz KEOWDDFOYMNSNF-UHFFFAOYSA-N 1 0 241.762 3.137 10 0 BGAERO COc1ccc(Cl)cc1C[C@@H](C[NH3+])C(C)C ZINC000041286103 175121021 /nfs/dbraw/zinc/12/10/21/175121021.db2.gz LHOFZUDOPZOOIB-NSHDSACASA-N 1 0 241.762 3.122 10 0 BGAERO COc1ccc(Cl)cc1C[C@H](C[NH3+])C(C)C ZINC000041286106 175121017 /nfs/dbraw/zinc/12/10/17/175121017.db2.gz LHOFZUDOPZOOIB-LLVKDONJSA-N 1 0 241.762 3.122 10 0 BGAERO CC(C)C[NH2+]CCCOc1ccccc1Cl ZINC000041286124 167002200 /nfs/dbraw/zinc/00/22/00/167002200.db2.gz ICZATJCPSJDEQE-UHFFFAOYSA-N 1 0 241.762 3.355 10 0 BGAERO CC(C)C[NH2+]CCCOc1cccc(Cl)c1 ZINC000041286130 167003666 /nfs/dbraw/zinc/00/36/66/167003666.db2.gz JZTFCRBRNRYNQF-UHFFFAOYSA-N 1 0 241.762 3.355 10 0 BGAERO CC(C)C[NH2+]CCCOc1ccc(Cl)cc1 ZINC000041286136 167002189 /nfs/dbraw/zinc/00/21/89/167002189.db2.gz LFTCUYPZCSJZIA-UHFFFAOYSA-N 1 0 241.762 3.355 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1ccc(Cl)cc1C ZINC000041286139 173375690 /nfs/dbraw/zinc/37/56/90/173375690.db2.gz NBNMXJBMBRCGRO-SNVBAGLBSA-N 1 0 241.762 3.273 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1ccc(Cl)cc1C ZINC000041286142 173364320 /nfs/dbraw/zinc/36/43/20/173364320.db2.gz NBNMXJBMBRCGRO-JTQLQIEISA-N 1 0 241.762 3.273 10 0 BGAERO Cc1cc(Cl)ccc1OCC[NH2+]CC(C)C ZINC000041286151 178069307 /nfs/dbraw/zinc/06/93/07/178069307.db2.gz UHMUUSUUBNUTAO-UHFFFAOYSA-N 1 0 241.762 3.273 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1ccc(Cl)c(C)c1 ZINC000041286154 173375644 /nfs/dbraw/zinc/37/56/44/173375644.db2.gz YOQUTUVQBAAVQR-SNVBAGLBSA-N 1 0 241.762 3.273 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1ccc(Cl)c(C)c1 ZINC000041286157 173363852 /nfs/dbraw/zinc/36/38/52/173363852.db2.gz YOQUTUVQBAAVQR-JTQLQIEISA-N 1 0 241.762 3.273 10 0 BGAERO Cc1cc(OCC[NH2+]CC(C)C)ccc1Cl ZINC000041286166 178211279 /nfs/dbraw/zinc/21/12/79/178211279.db2.gz UCUOEPKZRSPJSN-UHFFFAOYSA-N 1 0 241.762 3.273 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1cc(C)ccc1Cl ZINC000041286169 173375297 /nfs/dbraw/zinc/37/52/97/173375297.db2.gz MBADGPOHKSLTRP-LLVKDONJSA-N 1 0 241.762 3.273 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1cc(C)ccc1Cl ZINC000041286172 173364259 /nfs/dbraw/zinc/36/42/59/173364259.db2.gz MBADGPOHKSLTRP-NSHDSACASA-N 1 0 241.762 3.273 10 0 BGAERO Cc1ccc(Cl)c(OCC[NH2+]CC(C)C)c1 ZINC000041286180 178657783 /nfs/dbraw/zinc/65/77/83/178657783.db2.gz GUVHCEYAXVBWNF-UHFFFAOYSA-N 1 0 241.762 3.273 10 0 BGAERO C[NH2+]C[C@H](C)COc1cc(C)c(Cl)c(C)c1 ZINC000041286189 173375629 /nfs/dbraw/zinc/37/56/29/173375629.db2.gz QQMPZXLRVMPSOX-VIFPVBQESA-N 1 0 241.762 3.191 10 0 BGAERO C[NH2+]C[C@@H](C)COc1cc(C)c(Cl)c(C)c1 ZINC000041286192 173363968 /nfs/dbraw/zinc/36/39/68/173363968.db2.gz QQMPZXLRVMPSOX-SECBINFHSA-N 1 0 241.762 3.191 10 0 BGAERO Cc1cc(OCC(C)(C)C[NH3+])cc(C)c1Cl ZINC000041286198 178209580 /nfs/dbraw/zinc/20/95/80/178209580.db2.gz QUHTZYOAXWSTOI-UHFFFAOYSA-N 1 0 241.762 3.321 10 0 BGAERO Cc1cc(OCCCCC[NH3+])cc(C)c1Cl ZINC000041286201 178209582 /nfs/dbraw/zinc/20/95/82/178209582.db2.gz ABWMEPQJAGKTSC-UHFFFAOYSA-N 1 0 241.762 3.465 10 0 BGAERO CC(C)(CC[NH3+])c1cccc(Br)c1 ZINC000041286298 388434867 /nfs/dbraw/zinc/43/48/67/388434867.db2.gz WSCKOKDFOHLBDE-UHFFFAOYSA-N 1 0 242.160 3.076 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1cccc(Br)c1 ZINC000041286301 167396932 /nfs/dbraw/zinc/39/69/32/167396932.db2.gz WDMULPZIKPNBDN-LLVKDONJSA-N 1 0 242.160 3.147 10 0 BGAERO CC(C)(CC[NH3+])c1ccc(Br)cc1 ZINC000041286316 187265227 /nfs/dbraw/zinc/26/52/27/187265227.db2.gz HZKQFTKARZVIMB-UHFFFAOYSA-N 1 0 242.160 3.076 10 0 BGAERO CC[C@H](C[NH2+]C)c1ccc(Br)cc1 ZINC000041286325 171437282 /nfs/dbraw/zinc/43/72/82/171437282.db2.gz YLEJLWOGCBKPLO-SECBINFHSA-N 1 0 242.160 3.162 10 0 BGAERO FC(F)(F)c1ccccc1CC1CC[NH2+]CC1 ZINC000041288342 384185766 /nfs/dbraw/zinc/18/57/66/384185766.db2.gz ZDRNTDNAYUJUPE-UHFFFAOYSA-N 1 0 243.272 3.248 10 0 BGAERO FC(F)(F)c1ccccc1C[C@@H]1CCC[NH2+]C1 ZINC000041288345 180896092 /nfs/dbraw/zinc/89/60/92/180896092.db2.gz QUZMALFOFKOMSW-JTQLQIEISA-N 1 0 243.272 3.248 10 0 BGAERO FC(F)(F)c1ccccc1C[C@H]1CCC[NH2+]C1 ZINC000041288348 384184561 /nfs/dbraw/zinc/18/45/61/384184561.db2.gz QUZMALFOFKOMSW-SNVBAGLBSA-N 1 0 243.272 3.248 10 0 BGAERO [NH3+]C[C@H](Cc1ccccc1)Cc1cccc(F)c1 ZINC000041288755 181445024 /nfs/dbraw/zinc/44/50/24/181445024.db2.gz IWDOSKJEAWQWEL-OAHLLOKOSA-N 1 0 243.325 3.186 10 0 BGAERO [NH3+]C[C@@H](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000041288758 181418913 /nfs/dbraw/zinc/41/89/13/181418913.db2.gz AXINFHJSOMJWBE-HNNXBMFYSA-N 1 0 243.325 3.186 10 0 BGAERO [NH3+]C[C@H](Cc1ccccc1)Cc1ccc(F)cc1 ZINC000041288761 518197365 /nfs/dbraw/zinc/19/73/65/518197365.db2.gz AXINFHJSOMJWBE-OAHLLOKOSA-N 1 0 243.325 3.186 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1ccc2ccccc2c1 ZINC000041289049 173363982 /nfs/dbraw/zinc/36/39/82/173363982.db2.gz YLMUXMFWXZIZFU-ZDUSSCGKSA-N 1 0 243.350 3.464 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1ccc2ccccc2c1 ZINC000041289052 173375326 /nfs/dbraw/zinc/37/53/26/173375326.db2.gz YLMUXMFWXZIZFU-CYBMUJFWSA-N 1 0 243.350 3.464 10 0 BGAERO CC(C)C[NH2+]CCOc1ccc2ccccc2c1 ZINC000041289061 167004404 /nfs/dbraw/zinc/00/44/04/167004404.db2.gz KWOXIFMEJGGQHU-UHFFFAOYSA-N 1 0 243.350 3.464 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1cccc2ccccc21 ZINC000041289063 173363903 /nfs/dbraw/zinc/36/39/03/173363903.db2.gz TYPKWSGFMXMZPD-ZDUSSCGKSA-N 1 0 243.350 3.464 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1cccc2ccccc21 ZINC000041289066 173375441 /nfs/dbraw/zinc/37/54/41/173375441.db2.gz TYPKWSGFMXMZPD-CYBMUJFWSA-N 1 0 243.350 3.464 10 0 BGAERO [NH3+]CCc1csc(-c2ccc(Cl)s2)n1 ZINC000041291699 181413055 /nfs/dbraw/zinc/41/30/55/181413055.db2.gz HRLCMMYCXXGKPB-UHFFFAOYSA-N 1 0 244.772 3.026 10 0 BGAERO CCOc1ccccc1[C@H]([NH3+])c1ccccc1F ZINC000041295926 170599582 /nfs/dbraw/zinc/59/95/82/170599582.db2.gz VRGGTUPZZKCSBQ-OAHLLOKOSA-N 1 0 245.297 3.273 10 0 BGAERO Cc1ccc(C)c(OCc2ccc(C[NH3+])o2)c1C ZINC000041296110 178490097 /nfs/dbraw/zinc/49/00/97/178490097.db2.gz ICAZXEFEGQCSAB-UHFFFAOYSA-N 1 0 245.322 3.243 10 0 BGAERO c1cc2c(cc1OCCC[NH2+]C1CC1)CCCC2 ZINC000041296477 183370363 /nfs/dbraw/zinc/37/03/63/183370363.db2.gz HJQPBAQCMZNXGV-UHFFFAOYSA-N 1 0 245.366 3.086 10 0 BGAERO c1cc2c(c(OCCC[NH2+]C3CC3)c1)CCCC2 ZINC000041296480 183364808 /nfs/dbraw/zinc/36/48/08/183364808.db2.gz NKCZLXMGHKSRAC-UHFFFAOYSA-N 1 0 245.366 3.086 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1ccc(F)cc1Cl ZINC000041296760 173364306 /nfs/dbraw/zinc/36/43/06/173364306.db2.gz IKJGOBRIJSOIMQ-VIFPVBQESA-N 1 0 245.725 3.104 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1ccc(F)cc1Cl ZINC000041296761 173375291 /nfs/dbraw/zinc/37/52/91/173375291.db2.gz IKJGOBRIJSOIMQ-SECBINFHSA-N 1 0 245.725 3.104 10 0 BGAERO CC(C)C[NH2+]CCOc1ccc(F)cc1Cl ZINC000041296765 167005081 /nfs/dbraw/zinc/00/50/81/167005081.db2.gz ABAFQAXPRNDDIO-UHFFFAOYSA-N 1 0 245.725 3.104 10 0 BGAERO C/C(=C\CC[NH3+])c1ccc(Br)s1 ZINC000041296851 188323185 /nfs/dbraw/zinc/32/31/85/188323185.db2.gz MIOAAEVVUGBTGB-XVNBXDOJSA-N 1 0 246.173 3.263 10 0 BGAERO C[NH+](C)CCCNc1ccccc1C(F)(F)F ZINC000041297118 172443811 /nfs/dbraw/zinc/44/38/11/172443811.db2.gz PLLLIBNFNOOVHX-UHFFFAOYSA-N 1 0 246.276 3.069 10 0 BGAERO C[NH2+]C[C@H](C)c1nc(-c2ccc(C)cc2)cs1 ZINC000041298222 173376059 /nfs/dbraw/zinc/37/60/59/173376059.db2.gz METLOHFJVJPVBW-NSHDSACASA-N 1 0 246.379 3.441 10 0 BGAERO C[NH2+]C[C@@H](C)c1nc(-c2ccc(C)cc2)cs1 ZINC000041298224 173365181 /nfs/dbraw/zinc/36/51/81/173365181.db2.gz METLOHFJVJPVBW-LLVKDONJSA-N 1 0 246.379 3.441 10 0 BGAERO Cc1cccc(C)c1NCC[NH+]1CCC(C)CC1 ZINC000041298391 179043482 /nfs/dbraw/zinc/04/34/82/179043482.db2.gz GJVTYBLFWYXNHF-UHFFFAOYSA-N 1 0 246.398 3.447 10 0 BGAERO Cc1cccc(NCC[NH+]2CCC(C)CC2)c1C ZINC000041298393 179145225 /nfs/dbraw/zinc/14/52/25/179145225.db2.gz DWRDSHOTTQDHMJ-UHFFFAOYSA-N 1 0 246.398 3.447 10 0 BGAERO CCN(CC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000041298399 169839727 /nfs/dbraw/zinc/83/97/27/169839727.db2.gz DAMBSTIDRXSQCQ-UHFFFAOYSA-N 1 0 246.398 3.245 10 0 BGAERO COc1ccc(CC[NH2+]CC2CCCC2)cc1C ZINC000041299659 175091838 /nfs/dbraw/zinc/09/18/38/175091838.db2.gz OTPUSMXPGQBXHT-UHFFFAOYSA-N 1 0 247.382 3.326 10 0 BGAERO C[NH2+]C[C@H](c1cc(C)ccc1OC)C1CCCC1 ZINC000041299664 173378321 /nfs/dbraw/zinc/37/83/21/173378321.db2.gz FWAPCQDNWJFNJO-HNNXBMFYSA-N 1 0 247.382 3.497 10 0 BGAERO C[NH2+]C[C@@H](c1cc(C)ccc1OC)C1CCCC1 ZINC000041299666 173367095 /nfs/dbraw/zinc/36/70/95/173367095.db2.gz FWAPCQDNWJFNJO-OAHLLOKOSA-N 1 0 247.382 3.497 10 0 BGAERO COc1ccc(C)cc1CC[NH2+]CC1CCCC1 ZINC000041299667 175075436 /nfs/dbraw/zinc/07/54/36/175075436.db2.gz WJDWHSJKUGQJOE-UHFFFAOYSA-N 1 0 247.382 3.326 10 0 BGAERO COc1ccc(C[C@@H](C[NH3+])C2CC2)cc1C(C)C ZINC000041299712 175115502 /nfs/dbraw/zinc/11/55/02/175115502.db2.gz MSENGWRLGNDSLJ-AWEZNQCLSA-N 1 0 247.382 3.346 10 0 BGAERO COc1ccc(C[C@H](C[NH3+])C2CC2)cc1C(C)C ZINC000041299714 175117360 /nfs/dbraw/zinc/11/73/60/175117360.db2.gz MSENGWRLGNDSLJ-CQSZACIVSA-N 1 0 247.382 3.346 10 0 BGAERO CCc1ccc(OC)c(CC[NH2+]C2CCCC2)c1 ZINC000041299720 171825209 /nfs/dbraw/zinc/82/52/09/171825209.db2.gz VEILSZASTSNECG-UHFFFAOYSA-N 1 0 247.382 3.332 10 0 BGAERO COc1ccc(C(C)C)cc1C[C@@H](C[NH3+])C1CC1 ZINC000041299744 175069147 /nfs/dbraw/zinc/06/91/47/175069147.db2.gz GXXKITKFNFWGEZ-HNNXBMFYSA-N 1 0 247.382 3.346 10 0 BGAERO COc1ccc(C(C)C)cc1C[C@H](C[NH3+])C1CC1 ZINC000041299746 175069323 /nfs/dbraw/zinc/06/93/23/175069323.db2.gz GXXKITKFNFWGEZ-OAHLLOKOSA-N 1 0 247.382 3.346 10 0 BGAERO C[NH2+]CC[C@H](c1cc(C)c(C)cc1OC)C1CC1 ZINC000041299828 173358861 /nfs/dbraw/zinc/35/88/61/173358861.db2.gz PVGXAHWGOKBORT-AWEZNQCLSA-N 1 0 247.382 3.415 10 0 BGAERO C[NH2+]CC[C@@H](c1cc(C)c(C)cc1OC)C1CC1 ZINC000041299830 173358198 /nfs/dbraw/zinc/35/81/98/173358198.db2.gz PVGXAHWGOKBORT-CQSZACIVSA-N 1 0 247.382 3.415 10 0 BGAERO C[NH2+]CC[C@H](c1cc(C)c(OC)cc1C)C1CC1 ZINC000041299832 173359115 /nfs/dbraw/zinc/35/91/15/173359115.db2.gz RPFPATLQDICQQH-AWEZNQCLSA-N 1 0 247.382 3.415 10 0 BGAERO Cc1cccc(C)c1OCC[NH2+]CC1CCCC1 ZINC000041299946 179045815 /nfs/dbraw/zinc/04/58/15/179045815.db2.gz WOPLDXHLTQLZRW-UHFFFAOYSA-N 1 0 247.382 3.462 10 0 BGAERO Cc1cccc(OCC[NH2+]CC2CCCC2)c1C ZINC000041299960 179168407 /nfs/dbraw/zinc/16/84/07/179168407.db2.gz MHXOZWJKMLSETR-UHFFFAOYSA-N 1 0 247.382 3.462 10 0 BGAERO CC(C)C[NH2+]CCCOc1ccc2c(c1)CCC2 ZINC000041299977 167003714 /nfs/dbraw/zinc/00/37/14/167003714.db2.gz MKRQZEPYRGBPNX-UHFFFAOYSA-N 1 0 247.382 3.190 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1ccc2c(c1)CCCC2 ZINC000041299978 173363810 /nfs/dbraw/zinc/36/38/10/173363810.db2.gz DATCBVBDCGUOQM-ZDUSSCGKSA-N 1 0 247.382 3.190 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1ccc2c(c1)CCCC2 ZINC000041299980 173375300 /nfs/dbraw/zinc/37/53/00/173375300.db2.gz DATCBVBDCGUOQM-CYBMUJFWSA-N 1 0 247.382 3.190 10 0 BGAERO CC(C)C[NH2+]CCOc1ccc2c(c1)CCCC2 ZINC000041299985 167005552 /nfs/dbraw/zinc/00/55/52/167005552.db2.gz DWWWFBNNMABLKP-UHFFFAOYSA-N 1 0 247.382 3.190 10 0 BGAERO C[NH2+]C[C@@H](C)CCOc1cccc2c1CCCC2 ZINC000041299986 173363993 /nfs/dbraw/zinc/36/39/93/173363993.db2.gz QGBWLDPXUWWYRF-ZDUSSCGKSA-N 1 0 247.382 3.190 10 0 BGAERO C[NH2+]C[C@H](C)CCOc1cccc2c1CCCC2 ZINC000041299988 173375595 /nfs/dbraw/zinc/37/55/95/173375595.db2.gz QGBWLDPXUWWYRF-CYBMUJFWSA-N 1 0 247.382 3.190 10 0 BGAERO CC(C)C[NH2+]CCOc1cccc2c1CCCC2 ZINC000041299993 167004157 /nfs/dbraw/zinc/00/41/57/167004157.db2.gz JDPMBQGHZNLIOS-UHFFFAOYSA-N 1 0 247.382 3.190 10 0 BGAERO C[NH2+]C[C@H](C)COc1c(Cl)cccc1Cl ZINC000041300299 173375502 /nfs/dbraw/zinc/37/55/02/173375502.db2.gz DCMZQXPTRGIDJR-QMMMGPOBSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@@H](C)COc1c(Cl)cccc1Cl ZINC000041300300 173363901 /nfs/dbraw/zinc/36/39/01/173363901.db2.gz DCMZQXPTRGIDJR-MRVPVSSYSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@H](C)COc1cc(Cl)ccc1Cl ZINC000041300317 173375659 /nfs/dbraw/zinc/37/56/59/173375659.db2.gz XYRXCPKXRAVUTM-QMMMGPOBSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@@H](C)COc1cc(Cl)ccc1Cl ZINC000041300319 173364211 /nfs/dbraw/zinc/36/42/11/173364211.db2.gz XYRXCPKXRAVUTM-MRVPVSSYSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@H](C)COc1ccc(Cl)cc1Cl ZINC000041300335 173375556 /nfs/dbraw/zinc/37/55/56/173375556.db2.gz JKUYINVXSCWYDN-QMMMGPOBSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@@H](C)COc1ccc(Cl)cc1Cl ZINC000041300336 173364289 /nfs/dbraw/zinc/36/42/89/173364289.db2.gz JKUYINVXSCWYDN-MRVPVSSYSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@H](C)COc1cccc(Cl)c1Cl ZINC000041300353 173376342 /nfs/dbraw/zinc/37/63/42/173376342.db2.gz QJTVZUIVCARCDG-QMMMGPOBSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@@H](C)COc1cccc(Cl)c1Cl ZINC000041300355 173364250 /nfs/dbraw/zinc/36/42/50/173364250.db2.gz QJTVZUIVCARCDG-MRVPVSSYSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@H](C)COc1cc(Cl)cc(Cl)c1 ZINC000041300372 173375403 /nfs/dbraw/zinc/37/54/03/173375403.db2.gz OJAKMCGLRUYTHL-QMMMGPOBSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@@H](C)COc1cc(Cl)cc(Cl)c1 ZINC000041300373 173364145 /nfs/dbraw/zinc/36/41/45/173364145.db2.gz OJAKMCGLRUYTHL-MRVPVSSYSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000041300390 173375315 /nfs/dbraw/zinc/37/53/15/173375315.db2.gz ACJIVNKYSOUEOV-QMMMGPOBSA-N 1 0 248.153 3.228 10 0 BGAERO C[NH2+]C[C@@H](C)COc1ccc(Cl)c(Cl)c1 ZINC000041300391 173364095 /nfs/dbraw/zinc/36/40/95/173364095.db2.gz ACJIVNKYSOUEOV-MRVPVSSYSA-N 1 0 248.153 3.228 10 0 BGAERO Clc1ccc([C@@H]2C[NH2+]CCS2)c(Cl)c1 ZINC000041300409 180584971 /nfs/dbraw/zinc/58/49/71/180584971.db2.gz MEHPZAOZVJEDQA-JTQLQIEISA-N 1 0 248.178 3.371 10 0 BGAERO CC(C)(CC[NH3+])c1ccc(Br)s1 ZINC000041300419 187265269 /nfs/dbraw/zinc/26/52/69/187265269.db2.gz JGMUKOFPEMYHNK-UHFFFAOYSA-N 1 0 248.189 3.137 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000041300421 167396486 /nfs/dbraw/zinc/39/64/86/167396486.db2.gz RZEZITKAWUCMBF-SSDOTTSWSA-N 1 0 248.189 3.209 10 0 BGAERO CC[C@H](C)c1ccc([C@H](C)[C@@H](C[NH3+])N(C)C)cc1 ZINC000041302441 171411765 /nfs/dbraw/zinc/41/17/65/171411765.db2.gz POKUGQGTCSZQDG-HEHGZKQESA-N 1 0 248.414 3.193 10 0 BGAERO COCC[NH2+]CCCc1ccc(C(C)(C)C)cc1 ZINC000041304706 174332566 /nfs/dbraw/zinc/33/25/66/174332566.db2.gz LIQYIZRMIPGKEQ-UHFFFAOYSA-N 1 0 249.398 3.153 10 0 BGAERO CCCNc1cc(C)[nH+]c2ccc(OC)cc12 ZINC000041474190 169293397 /nfs/dbraw/zinc/29/33/97/169293397.db2.gz DBZLNYVHAHTPAX-UHFFFAOYSA-N 1 0 230.311 3.374 10 0 BGAERO CC(C)c1ccc2oc(C3CC[NH2+]CC3)nc2c1 ZINC000041569026 342995958 /nfs/dbraw/zinc/99/59/58/342995958.db2.gz BFXGPINUXDLUDF-UHFFFAOYSA-N 1 0 244.338 3.418 10 0 BGAERO CCCCc1ccc(NCCC[NH+](C)C)cc1 ZINC000041571052 169022357 /nfs/dbraw/zinc/02/23/57/169022357.db2.gz YDQKDKSNHUACCQ-UHFFFAOYSA-N 1 0 234.387 3.393 10 0 BGAERO c1ccc2c(c1)cccc2NCC[NH+]1CCCC1 ZINC000041579129 398086460 /nfs/dbraw/zinc/08/64/60/398086460.db2.gz JVLYQWNWYHXUKO-UHFFFAOYSA-N 1 0 240.350 3.348 10 0 BGAERO CCC[NH2+]CCCCOc1ccc(C)cc1 ZINC000041581940 169257737 /nfs/dbraw/zinc/25/77/37/169257737.db2.gz QTTTWOVRGORSGA-UHFFFAOYSA-N 1 0 221.344 3.154 10 0 BGAERO CCC[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000041581942 169257602 /nfs/dbraw/zinc/25/76/02/169257602.db2.gz AHLNAKHIXDFPRG-UHFFFAOYSA-N 1 0 241.762 3.499 10 0 BGAERO Cc1cccc(OCCCC[NH2+]CC(C)C)c1 ZINC000041581947 179164848 /nfs/dbraw/zinc/16/48/48/179164848.db2.gz GNAUVMMBFLPFLP-UHFFFAOYSA-N 1 0 235.371 3.400 10 0 BGAERO Cc1cccc(OCCCC[NH2+]C(C)C)c1 ZINC000041582004 179164344 /nfs/dbraw/zinc/16/43/44/179164344.db2.gz UIAXWSXLDXNYGS-UHFFFAOYSA-N 1 0 221.344 3.152 10 0 BGAERO Cc1ccc(C(=O)C[NH2+]C2CCCC2)cc1C ZINC000041611731 178372698 /nfs/dbraw/zinc/37/26/98/178372698.db2.gz CHECAYFZZVYFMQ-UHFFFAOYSA-N 1 0 231.339 3.018 10 0 BGAERO CC[C@H](C)[NH2+]CC(=O)c1ccc(C(C)C)cc1 ZINC000041611889 171339694 /nfs/dbraw/zinc/33/96/94/171339694.db2.gz HAMFTTAPXKANKM-LBPRGKRZSA-N 1 0 233.355 3.381 10 0 BGAERO CC[NH2+]CC(=O)c1ccc(-c2ccccc2)cc1 ZINC000041612272 170111369 /nfs/dbraw/zinc/11/13/69/170111369.db2.gz PPHLMGLRBBGXER-UHFFFAOYSA-N 1 0 239.318 3.146 10 0 BGAERO CC[C@H](C)[NH2+]CC(=O)c1ccc2ccccc2c1 ZINC000041612504 171340693 /nfs/dbraw/zinc/34/06/93/171340693.db2.gz WCXITNXARSDYGF-LBPRGKRZSA-N 1 0 241.334 3.411 10 0 BGAERO CCC[NH2+]CC(=O)c1ccc2ccccc2c1 ZINC000041612510 169255305 /nfs/dbraw/zinc/25/53/05/169255305.db2.gz CQVHKDKDPPUZEL-UHFFFAOYSA-N 1 0 227.307 3.022 10 0 BGAERO CC(C)[NH2+]CC(=O)c1ccc2ccccc2c1 ZINC000041612516 167098086 /nfs/dbraw/zinc/09/80/86/167098086.db2.gz SOJQTEOLYHAVMM-UHFFFAOYSA-N 1 0 227.307 3.021 10 0 BGAERO Cc1ccc(C(=O)C[NH2+]C2CCCC2)c(C)c1 ZINC000041612585 178373133 /nfs/dbraw/zinc/37/31/33/178373133.db2.gz FQZFLNZSZMSWAN-UHFFFAOYSA-N 1 0 231.339 3.018 10 0 BGAERO CCC[NH2+]CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000041612822 169255199 /nfs/dbraw/zinc/25/51/99/169255199.db2.gz OLKRRAUJHHBRGQ-UHFFFAOYSA-N 1 0 233.355 3.166 10 0 BGAERO CC(C)[NH2+]CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000041612828 167097526 /nfs/dbraw/zinc/09/75/26/167097526.db2.gz BMCISAPJMFNOLR-UHFFFAOYSA-N 1 0 233.355 3.165 10 0 BGAERO CCC[NH2+]CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000041612976 169255816 /nfs/dbraw/zinc/25/58/16/169255816.db2.gz SPGIRXQRERKAAQ-UHFFFAOYSA-N 1 0 246.137 3.176 10 0 BGAERO CC(C)[NH2+]CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000041612982 167098321 /nfs/dbraw/zinc/09/83/21/167098321.db2.gz UZTCUIKJOXAKNU-UHFFFAOYSA-N 1 0 246.137 3.174 10 0 BGAERO CCCOc1ccc(C(=O)C[NH2+][C@@H](C)CC)cc1 ZINC000041613197 169316968 /nfs/dbraw/zinc/31/69/68/169316968.db2.gz LKNVWDVXAUAUAX-LBPRGKRZSA-N 1 0 249.354 3.046 10 0 BGAERO CCCOc1ccc(C(=O)C[NH2+][C@H](C)CC)cc1 ZINC000041613199 169317044 /nfs/dbraw/zinc/31/70/44/169317044.db2.gz LKNVWDVXAUAUAX-GFCCVEGCSA-N 1 0 249.354 3.046 10 0 BGAERO CCCOc1ccc(C(=O)C[NH2+]C(C)(C)C)cc1 ZINC000041613207 169316971 /nfs/dbraw/zinc/31/69/71/169316971.db2.gz YINMILPYORQRMK-UHFFFAOYSA-N 1 0 249.354 3.046 10 0 BGAERO CC[C@H](C)[NH2+]CC(=O)c1ccc(OC(C)C)cc1 ZINC000041613273 171340151 /nfs/dbraw/zinc/34/01/51/171340151.db2.gz TVLKFERMZUCCRC-LBPRGKRZSA-N 1 0 249.354 3.045 10 0 BGAERO CC(C)Oc1ccc(C(=O)C[NH2+]C(C)(C)C)cc1 ZINC000041613281 167291081 /nfs/dbraw/zinc/29/10/81/167291081.db2.gz YJDWCCNJZVHXCU-UHFFFAOYSA-N 1 0 249.354 3.045 10 0 BGAERO CCCCCC[NH2+]CCc1nc(C)cs1 ZINC000041621122 168667234 /nfs/dbraw/zinc/66/72/34/168667234.db2.gz GWLPROBWKPTNHZ-UHFFFAOYSA-N 1 0 226.389 3.164 10 0 BGAERO C[NH2+]CCc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000041621635 173361254 /nfs/dbraw/zinc/36/12/54/173361254.db2.gz JJSUKAWDHFVRAM-UHFFFAOYSA-N 1 0 246.379 3.189 10 0 BGAERO CC(C)[NH2+]CCc1nc(-c2ccccc2)cs1 ZINC000041622648 167109607 /nfs/dbraw/zinc/10/96/07/167109607.db2.gz UKGJUJURUHGGOY-UHFFFAOYSA-N 1 0 246.379 3.351 10 0 BGAERO c1sc(CC[NH2+]C2CC2)nc1-c1ccccc1 ZINC000041623506 183382445 /nfs/dbraw/zinc/38/24/45/183382445.db2.gz YINNKPQBUWSPSC-UHFFFAOYSA-N 1 0 244.363 3.105 10 0 BGAERO CCCOc1ccc(-c2nc(C[NH3+])cs2)cc1 ZINC000041627782 169316746 /nfs/dbraw/zinc/31/67/46/169316746.db2.gz KXKALNZJEGBRFQ-UHFFFAOYSA-N 1 0 248.351 3.058 10 0 BGAERO C[C@H]([NH3+])c1csc(C2CCCCC2)n1 ZINC000041627849 361674075 /nfs/dbraw/zinc/67/40/75/361674075.db2.gz YKIAGPBQOUUPEM-QMMMGPOBSA-N 1 0 210.346 3.211 10 0 BGAERO C[C@@H]([NH3+])c1csc(C2CCCCC2)n1 ZINC000041627852 388124323 /nfs/dbraw/zinc/12/43/23/388124323.db2.gz YKIAGPBQOUUPEM-MRVPVSSYSA-N 1 0 210.346 3.211 10 0 BGAERO CC[NH+](CC)CC[C@H](O)c1cc(C)ccc1C ZINC000041629569 169784273 /nfs/dbraw/zinc/78/42/73/169784273.db2.gz SFXGSRKIBJWGFZ-HNNXBMFYSA-N 1 0 235.371 3.069 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2cc(F)cc(F)c2)c1 ZINC000041653914 179200143 /nfs/dbraw/zinc/20/01/43/179200143.db2.gz YEHCKMJYYVLTSS-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2cc(F)cc(F)c2)c1 ZINC000041653918 179187133 /nfs/dbraw/zinc/18/71/33/179187133.db2.gz YEHCKMJYYVLTSS-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2cccc(N(C)C)c2)c1 ZINC000041653924 179200323 /nfs/dbraw/zinc/20/03/23/179200323.db2.gz OLGYKISGLLSNHL-INIZCTEOSA-N 1 0 240.350 3.109 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2cccc(N(C)C)c2)c1 ZINC000041653930 179187015 /nfs/dbraw/zinc/18/70/15/179187015.db2.gz OLGYKISGLLSNHL-MRXNPFEDSA-N 1 0 240.350 3.109 10 0 BGAERO COc1cccc([C@H]([NH3+])c2cc(F)cc(F)c2)c1 ZINC000041654559 175295311 /nfs/dbraw/zinc/29/53/11/175295311.db2.gz UAKKORNVSZTCSV-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2cc(F)cc(F)c2)c1 ZINC000041654565 175288868 /nfs/dbraw/zinc/28/88/68/175288868.db2.gz UAKKORNVSZTCSV-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO [NH3+][C@@H](c1cc(F)cc(F)c1)c1ccccc1F ZINC000041655327 181560812 /nfs/dbraw/zinc/56/08/12/181560812.db2.gz QXXOWPUPXNPTSP-ZDUSSCGKSA-N 1 0 237.224 3.152 10 0 BGAERO C[C@@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000041664092 374171448 /nfs/dbraw/zinc/17/14/48/374171448.db2.gz ZIOKQPVXZRASAH-LURJTMIESA-N 1 0 204.100 3.056 10 0 BGAERO C[C@H](C[NH3+])c1cccc(Cl)c1Cl ZINC000041664098 374171259 /nfs/dbraw/zinc/17/12/59/374171259.db2.gz ZIOKQPVXZRASAH-ZCFIWIBFSA-N 1 0 204.100 3.056 10 0 BGAERO c1cn(CC[C@H]2CCCC[NH2+]2)c2ccccc12 ZINC000041671394 183454572 /nfs/dbraw/zinc/45/45/72/183454572.db2.gz DRZOZCZDDBMDDQ-CQSZACIVSA-N 1 0 228.339 3.174 10 0 BGAERO CC[NH2+][C@@H](c1cccs1)c1nc(C)cs1 ZINC000041672787 170148268 /nfs/dbraw/zinc/14/82/68/170148268.db2.gz MPTVPLNTDUVWPR-JTQLQIEISA-N 1 0 238.381 3.212 10 0 BGAERO CC[NH2+][C@H](c1cccs1)c1nc(C)cs1 ZINC000041672790 170164704 /nfs/dbraw/zinc/16/47/04/170164704.db2.gz MPTVPLNTDUVWPR-SNVBAGLBSA-N 1 0 238.381 3.212 10 0 BGAERO CC(C)[NH2+][C@@H](c1cccs1)c1nccs1 ZINC000041672876 167134007 /nfs/dbraw/zinc/13/40/07/167134007.db2.gz LRQFVWPDQBQFJV-JTQLQIEISA-N 1 0 238.381 3.292 10 0 BGAERO CC(C)[NH2+][C@H](c1cccs1)c1nccs1 ZINC000041672879 167140335 /nfs/dbraw/zinc/14/03/35/167140335.db2.gz LRQFVWPDQBQFJV-SNVBAGLBSA-N 1 0 238.381 3.292 10 0 BGAERO CC[NH2+][C@H](c1nccs1)c1sccc1C ZINC000041674397 170164742 /nfs/dbraw/zinc/16/47/42/170164742.db2.gz KZNYRNJDNPOHDN-VIFPVBQESA-N 1 0 238.381 3.212 10 0 BGAERO CC[NH2+][C@@H](c1nccs1)c1sccc1C ZINC000041674401 170149704 /nfs/dbraw/zinc/14/97/04/170149704.db2.gz KZNYRNJDNPOHDN-SECBINFHSA-N 1 0 238.381 3.212 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)s1)c1nccs1 ZINC000041676724 170146971 /nfs/dbraw/zinc/14/69/71/170146971.db2.gz QPQVPXVMBJLDOC-JTQLQIEISA-N 1 0 238.381 3.212 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)s1)c1nccs1 ZINC000041676728 170163470 /nfs/dbraw/zinc/16/34/70/170163470.db2.gz QPQVPXVMBJLDOC-SNVBAGLBSA-N 1 0 238.381 3.212 10 0 BGAERO C[C@H](Nc1cc[nH+]c2ccccc12)[C@@H]1CCCO1 ZINC000041720596 358513915 /nfs/dbraw/zinc/51/39/15/358513915.db2.gz DSPCRQJFYIPXSE-NHYWBVRUSA-N 1 0 242.322 3.214 10 0 BGAERO C[C@@H](Nc1cc[nH+]c2ccccc12)[C@@H]1CCCO1 ZINC000041720601 358514168 /nfs/dbraw/zinc/51/41/68/358514168.db2.gz DSPCRQJFYIPXSE-ABAIWWIYSA-N 1 0 242.322 3.214 10 0 BGAERO C[C@H](Nc1cc[nH+]c2ccccc12)[C@H]1CCCO1 ZINC000041720606 358514012 /nfs/dbraw/zinc/51/40/12/358514012.db2.gz DSPCRQJFYIPXSE-XHDPSFHLSA-N 1 0 242.322 3.214 10 0 BGAERO C[C@@H](Nc1cc[nH+]c2ccccc12)[C@H]1CCCO1 ZINC000041720611 358514164 /nfs/dbraw/zinc/51/41/64/358514164.db2.gz DSPCRQJFYIPXSE-IAQYHMDHSA-N 1 0 242.322 3.214 10 0 BGAERO c1ccc2c(NCC[C@@H]3CCCO3)cc[nH+]c2c1 ZINC000041721053 351596552 /nfs/dbraw/zinc/59/65/52/351596552.db2.gz UUELOYUUTOWXQM-LBPRGKRZSA-N 1 0 242.322 3.216 10 0 BGAERO Cc1cc2c(n1[C@@H](C)C(C)C)CCC[C@@H]2[NH3+] ZINC000041725799 178293404 /nfs/dbraw/zinc/29/34/04/178293404.db2.gz VNSBNPQSYNFDKM-AAEUAGOBSA-N 1 0 220.360 3.350 10 0 BGAERO Cc1cc2c(n1[C@H](C)C(C)C)CCC[C@@H]2[NH3+] ZINC000041725804 178293366 /nfs/dbraw/zinc/29/33/66/178293366.db2.gz VNSBNPQSYNFDKM-YPMHNXCESA-N 1 0 220.360 3.350 10 0 BGAERO Cc1cc2c(n1[C@@H](C)C(C)C)CCC[C@H]2[NH3+] ZINC000041725809 178293449 /nfs/dbraw/zinc/29/34/49/178293449.db2.gz VNSBNPQSYNFDKM-WCQYABFASA-N 1 0 220.360 3.350 10 0 BGAERO Cc1cc2c(n1[C@H](C)C(C)C)CCC[C@H]2[NH3+] ZINC000041725814 178292751 /nfs/dbraw/zinc/29/27/51/178292751.db2.gz VNSBNPQSYNFDKM-DGCLKSJQSA-N 1 0 220.360 3.350 10 0 BGAERO CC(C)[C@@H](C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000041725838 187977978 /nfs/dbraw/zinc/97/79/78/187977978.db2.gz FQPNDFCBRFCSPQ-PWSUYJOCSA-N 1 0 206.333 3.041 10 0 BGAERO CC(C)[C@H](C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000041725843 187291749 /nfs/dbraw/zinc/29/17/49/187291749.db2.gz FQPNDFCBRFCSPQ-JQWIXIFHSA-N 1 0 206.333 3.041 10 0 BGAERO CC(C)[C@@H](C)n1ccc2c1CCC[C@H]2[NH3+] ZINC000041725848 187291593 /nfs/dbraw/zinc/29/15/93/187291593.db2.gz FQPNDFCBRFCSPQ-ZYHUDNBSSA-N 1 0 206.333 3.041 10 0 BGAERO CC[C@@H](C)n1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000041726024 170809260 /nfs/dbraw/zinc/80/92/60/170809260.db2.gz BBWFBXCNILGJMX-SKDRFNHKSA-N 1 0 206.333 3.104 10 0 BGAERO CC[C@@H](C)n1ccc2c1CC(C)(C)C[C@@H]2[NH3+] ZINC000041726079 170810255 /nfs/dbraw/zinc/81/02/55/170810255.db2.gz YFXRXPOZXBVZOQ-PWSUYJOCSA-N 1 0 220.360 3.431 10 0 BGAERO CC[C@H](C)n1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041726092 171416702 /nfs/dbraw/zinc/41/67/02/171416702.db2.gz YFXRXPOZXBVZOQ-CMPLNLGQSA-N 1 0 220.360 3.431 10 0 BGAERO CC(C)Cn1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041726249 187775401 /nfs/dbraw/zinc/77/54/01/187775401.db2.gz HOBRQOOBRARTSN-GFCCVEGCSA-N 1 0 220.360 3.116 10 0 BGAERO CCC(C)(C)n1c(C)cc2c1CCC[C@@H]2[NH3+] ZINC000041726412 168306699 /nfs/dbraw/zinc/30/66/99/168306699.db2.gz CJIICNFYHKOOQS-LBPRGKRZSA-N 1 0 220.360 3.278 10 0 BGAERO CCC(C)(C)n1c(C)cc2c1CCC[C@H]2[NH3+] ZINC000041726416 168307055 /nfs/dbraw/zinc/30/70/55/168307055.db2.gz CJIICNFYHKOOQS-GFCCVEGCSA-N 1 0 220.360 3.278 10 0 BGAERO CC(C)(C)n1ccc2c1CC(C)(C)C[C@H]2[NH3+] ZINC000041726747 188119970 /nfs/dbraw/zinc/11/99/70/188119970.db2.gz QPECIWWWMSINBD-LLVKDONJSA-N 1 0 220.360 3.215 10 0 BGAERO Cc1cc2c(n1C(C)C)CC(C)(C)C[C@@H]2[NH3+] ZINC000041726965 178292650 /nfs/dbraw/zinc/29/26/50/178292650.db2.gz GYQRDOQVYIYKLH-LBPRGKRZSA-N 1 0 220.360 3.350 10 0 BGAERO Cc1cc2c(n1C(C)C)CC(C)(C)C[C@H]2[NH3+] ZINC000041726970 178293284 /nfs/dbraw/zinc/29/32/84/178293284.db2.gz GYQRDOQVYIYKLH-GFCCVEGCSA-N 1 0 220.360 3.350 10 0 BGAERO Cc1cc2c(n1Cc1ccccc1)CCC[C@@H]2[NH3+] ZINC000041727387 374180120 /nfs/dbraw/zinc/18/01/20/374180120.db2.gz SYOJFRCQLPMJLP-HNNXBMFYSA-N 1 0 240.350 3.181 10 0 BGAERO Cc1cc2c(n1Cc1ccccc1)CCC[C@H]2[NH3+] ZINC000041727392 374180710 /nfs/dbraw/zinc/18/07/10/374180710.db2.gz SYOJFRCQLPMJLP-OAHLLOKOSA-N 1 0 240.350 3.181 10 0 BGAERO Cc1cc2c(n1CCC(C)C)CCC[C@@H]2[NH3+] ZINC000041727716 178293050 /nfs/dbraw/zinc/29/30/50/178293050.db2.gz UQOSQIVCFMUPQM-ZDUSSCGKSA-N 1 0 220.360 3.179 10 0 BGAERO Cc1cc2c(n1CCC(C)C)CCC[C@H]2[NH3+] ZINC000041727721 178293406 /nfs/dbraw/zinc/29/34/06/178293406.db2.gz UQOSQIVCFMUPQM-CYBMUJFWSA-N 1 0 220.360 3.179 10 0 BGAERO CCC[C@@H](C)n1ccc2c1CCC[C@@H]2[NH3+] ZINC000041728596 169375728 /nfs/dbraw/zinc/37/57/28/169375728.db2.gz VKKRHVLZHMLEKX-PWSUYJOCSA-N 1 0 206.333 3.185 10 0 BGAERO CCC[C@@H](C)n1ccc2c1CCC[C@H]2[NH3+] ZINC000041728606 169375569 /nfs/dbraw/zinc/37/55/69/169375569.db2.gz VKKRHVLZHMLEKX-ZYHUDNBSSA-N 1 0 206.333 3.185 10 0 BGAERO Cc1cc2c(n1CC(C)(C)C)CCC[C@@H]2[NH3+] ZINC000041732107 178293353 /nfs/dbraw/zinc/29/33/53/178293353.db2.gz ZOLSFUSWYNKGQG-LBPRGKRZSA-N 1 0 220.360 3.179 10 0 BGAERO Cc1cc2c(n1CC(C)(C)C)CCC[C@H]2[NH3+] ZINC000041732110 178293374 /nfs/dbraw/zinc/29/33/74/178293374.db2.gz ZOLSFUSWYNKGQG-GFCCVEGCSA-N 1 0 220.360 3.179 10 0 BGAERO Cc1ccccc1N(CCC[NH3+])CC1CCCC1 ZINC000042011095 179295840 /nfs/dbraw/zinc/29/58/40/179295840.db2.gz QVSPFKCTRFHLDS-UHFFFAOYSA-N 1 0 246.398 3.340 10 0 BGAERO CCC(CC)[NH2+]Cc1c[nH]nc1-c1ccccc1 ZINC000042210061 168387923 /nfs/dbraw/zinc/38/79/23/168387923.db2.gz HSEAONJXBCPYBP-UHFFFAOYSA-N 1 0 243.354 3.355 10 0 BGAERO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000042237321 384636385 /nfs/dbraw/zinc/63/63/85/384636385.db2.gz NKFIFHPPKSTBNB-MJBXVCDLSA-N 1 0 227.392 3.094 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000042237341 637090988 /nfs/dbraw/zinc/09/09/88/637090988.db2.gz BPMOKYTXLGJFIW-MJBXVCDLSA-N 1 0 227.392 3.238 10 0 BGAERO CC(C)Cc1ccc([C@H](O)C[NH+]2CCCC2)cc1 ZINC000042244531 187265956 /nfs/dbraw/zinc/26/59/56/187265956.db2.gz PFQWJJNFDFVLLB-MRXNPFEDSA-N 1 0 247.382 3.014 10 0 BGAERO CC[N@H+](C[C@@H](O)c1ccc(C(C)C)cc1)C1CC1 ZINC000042246863 169884661 /nfs/dbraw/zinc/88/46/61/169884661.db2.gz XQFUOZROBDVFKV-MRXNPFEDSA-N 1 0 247.382 3.328 10 0 BGAERO c1cc(CC[NH2+]CCc2ccccc2)cs1 ZINC000042249147 641549728 /nfs/dbraw/zinc/54/97/28/641549728.db2.gz WFVPDRUMCVCUKJ-UHFFFAOYSA-N 1 0 231.364 3.123 10 0 BGAERO [NH3+]CCCc1cccc(Oc2ccccc2)c1 ZINC000042302424 361979044 /nfs/dbraw/zinc/97/90/44/361979044.db2.gz RCDYAFZKLQKAQA-UHFFFAOYSA-N 1 0 227.307 3.370 10 0 BGAERO CCC(CC)C[N@H+](CC)[C@@H]1CCCC[C@@H]1O ZINC000042317346 168350661 /nfs/dbraw/zinc/35/06/61/168350661.db2.gz WBEVNNRUDVNLNC-KGLIPLIRSA-N 1 0 227.392 3.048 10 0 BGAERO CCC(CC)C[N@H+](CC)[C@H]1CCCC[C@@H]1O ZINC000042317349 168349753 /nfs/dbraw/zinc/34/97/53/168349753.db2.gz WBEVNNRUDVNLNC-KBPBESRZSA-N 1 0 227.392 3.048 10 0 BGAERO CCC[C@@H](CCCCOCC(F)(F)F)[NH2+]C ZINC000042321734 169381884 /nfs/dbraw/zinc/38/18/84/169381884.db2.gz RIFQZBNAVIKGTE-JTQLQIEISA-N 1 0 241.297 3.124 10 0 BGAERO CCC1CCC(Nc2cc(C)nc(C)n2)CC1 ZINC000042338509 361982086 /nfs/dbraw/zinc/98/20/86/361982086.db2.gz SJOFISSUZJFUJY-UHFFFAOYSA-N 1 0 233.359 3.474 10 0 BGAERO CCN(CCC[NH2+]C(C)C)c1cccc(C)c1 ZINC000042351924 169830164 /nfs/dbraw/zinc/83/01/64/169830164.db2.gz SCWIBUVZXYKSOK-UHFFFAOYSA-N 1 0 234.387 3.209 10 0 BGAERO CCC[NH2+]Cc1cnn(C2CCCCC2)c1C ZINC000042355991 169269487 /nfs/dbraw/zinc/26/94/87/169269487.db2.gz ABAQXIHKVDEVNR-UHFFFAOYSA-N 1 0 235.375 3.196 10 0 BGAERO CC[NH2+]Cc1cnn(C2CCCCCC2)c1C ZINC000042356006 170130832 /nfs/dbraw/zinc/13/08/32/170130832.db2.gz IAUXIDDWYYAESN-UHFFFAOYSA-N 1 0 235.375 3.196 10 0 BGAERO C[NH2+]Cc1csc(-c2ccc(N(C)C)cc2)c1 ZINC000042366053 173393369 /nfs/dbraw/zinc/39/33/69/173393369.db2.gz ICLAUKWTGSAQLD-UHFFFAOYSA-N 1 0 246.379 3.201 10 0 BGAERO C[NH2+]Cc1csc(-c2ccccc2OC)c1 ZINC000042366070 173393715 /nfs/dbraw/zinc/39/37/15/173393715.db2.gz ZNLVDQIGJJZARF-UHFFFAOYSA-N 1 0 233.336 3.143 10 0 BGAERO C[NH2+]Cc1csc(-c2ccc(OC)cc2)c1 ZINC000042366093 173393830 /nfs/dbraw/zinc/39/38/30/173393830.db2.gz AOIWIWAMCDECDF-UHFFFAOYSA-N 1 0 233.336 3.143 10 0 BGAERO C[NH2+]Cc1csc(-c2cccc(OC)c2)c1 ZINC000042366122 173394017 /nfs/dbraw/zinc/39/40/17/173394017.db2.gz RHUQMPHOUYIUFB-UHFFFAOYSA-N 1 0 233.336 3.143 10 0 BGAERO C[NH2+]Cc1csc(-c2cccs2)c1 ZINC000042366140 173393368 /nfs/dbraw/zinc/39/33/68/173393368.db2.gz FOKPNTWORNIVMJ-UHFFFAOYSA-N 1 0 209.339 3.196 10 0 BGAERO C[NH2+]Cc1csc(-c2ccc(OC)cc2C)c1 ZINC000042366191 173392896 /nfs/dbraw/zinc/39/28/96/173392896.db2.gz WSZBFCIXUGRNQP-UHFFFAOYSA-N 1 0 247.363 3.452 10 0 BGAERO C[NH2+]Cc1csc(-c2ccc3c(c2)CCO3)c1 ZINC000042366202 173393494 /nfs/dbraw/zinc/39/34/94/173393494.db2.gz GJEIUEMJBFLODL-UHFFFAOYSA-N 1 0 245.347 3.069 10 0 BGAERO C[NH2+]Cc1csc(-c2ccc(OC)c(C)c2)c1 ZINC000042366259 173392799 /nfs/dbraw/zinc/39/27/99/173392799.db2.gz NLSFTEYGSGHSFJ-UHFFFAOYSA-N 1 0 247.363 3.452 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000042397964 361995581 /nfs/dbraw/zinc/99/55/81/361995581.db2.gz COLZCWCMFUREKT-JQWIXIFHSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000042397969 361995304 /nfs/dbraw/zinc/99/53/04/361995304.db2.gz COLZCWCMFUREKT-PWSUYJOCSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000042397973 361995726 /nfs/dbraw/zinc/99/57/26/361995726.db2.gz COLZCWCMFUREKT-CMPLNLGQSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000042397975 361995763 /nfs/dbraw/zinc/99/57/63/361995763.db2.gz COLZCWCMFUREKT-ZYHUDNBSSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1Cc1cccc(Cl)c1 ZINC000042397979 361995810 /nfs/dbraw/zinc/99/58/10/361995810.db2.gz IJSIEQXRMMGJLX-JQWIXIFHSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1Cc1cccc(Cl)c1 ZINC000042397983 361995831 /nfs/dbraw/zinc/99/58/31/361995831.db2.gz IJSIEQXRMMGJLX-PWSUYJOCSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1Cc1cccc(Cl)c1 ZINC000042397987 361995803 /nfs/dbraw/zinc/99/58/03/361995803.db2.gz IJSIEQXRMMGJLX-CMPLNLGQSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1cccc(Cl)c1 ZINC000042397990 361997181 /nfs/dbraw/zinc/99/71/81/361997181.db2.gz IJSIEQXRMMGJLX-ZYHUDNBSSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1Cc1ccccc1Cl ZINC000042398008 361997045 /nfs/dbraw/zinc/99/70/45/361997045.db2.gz KRQOBJIZQWFIQK-JQWIXIFHSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1Cc1ccccc1Cl ZINC000042398012 361997343 /nfs/dbraw/zinc/99/73/43/361997343.db2.gz KRQOBJIZQWFIQK-PWSUYJOCSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1Cc1ccccc1Cl ZINC000042398014 361997001 /nfs/dbraw/zinc/99/70/01/361997001.db2.gz KRQOBJIZQWFIQK-CMPLNLGQSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1ccccc1Cl ZINC000042398018 361996820 /nfs/dbraw/zinc/99/68/20/361996820.db2.gz KRQOBJIZQWFIQK-ZYHUDNBSSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1Cc1ccc(Cl)s1 ZINC000042398076 181648079 /nfs/dbraw/zinc/64/80/79/181648079.db2.gz AJPUXDQJCQSOKS-CBAPKCEASA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1Cc1ccc(Cl)s1 ZINC000042398077 361996594 /nfs/dbraw/zinc/99/65/94/361996594.db2.gz AJPUXDQJCQSOKS-APPZFPTMSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1Cc1ccc(Cl)s1 ZINC000042398081 181584843 /nfs/dbraw/zinc/58/48/43/181584843.db2.gz AJPUXDQJCQSOKS-IONNQARKSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)s1 ZINC000042398084 361997165 /nfs/dbraw/zinc/99/71/65/361997165.db2.gz AJPUXDQJCQSOKS-VXNVDRBHSA-N 1 0 215.749 3.071 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)s1 ZINC000042398861 361997215 /nfs/dbraw/zinc/99/72/15/361997215.db2.gz FCMCDYQPESHMOJ-PSASIEDQSA-N 1 0 229.776 3.332 10 0 BGAERO C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)s1 ZINC000042398867 361996848 /nfs/dbraw/zinc/99/68/48/361996848.db2.gz FCMCDYQPESHMOJ-SCZZXKLOSA-N 1 0 229.776 3.332 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)s1 ZINC000042398871 361996897 /nfs/dbraw/zinc/99/68/97/361996897.db2.gz FCMCDYQPESHMOJ-WCBMZHEXSA-N 1 0 229.776 3.332 10 0 BGAERO C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)s1 ZINC000042398874 361996723 /nfs/dbraw/zinc/99/67/23/361996723.db2.gz FCMCDYQPESHMOJ-WPRPVWTQSA-N 1 0 229.776 3.332 10 0 BGAERO CC[NH2+][C@@H]1CCC[C@@H]1Cc1cccs1 ZINC000042399543 170150412 /nfs/dbraw/zinc/15/04/12/170150412.db2.gz JUKVSUDGKPHMQN-ZYHUDNBSSA-N 1 0 209.358 3.069 10 0 BGAERO CC[NH2+][C@H]1CCC[C@@H]1Cc1cccs1 ZINC000042399547 170166919 /nfs/dbraw/zinc/16/69/19/170166919.db2.gz JUKVSUDGKPHMQN-PWSUYJOCSA-N 1 0 209.358 3.069 10 0 BGAERO CC[NH2+][C@@H]1CCC[C@H]1Cc1cccs1 ZINC000042399551 170152174 /nfs/dbraw/zinc/15/21/74/170152174.db2.gz JUKVSUDGKPHMQN-CMPLNLGQSA-N 1 0 209.358 3.069 10 0 BGAERO CC[NH2+][C@H]1CCC[C@H]1Cc1cccs1 ZINC000042399553 170166781 /nfs/dbraw/zinc/16/67/81/170166781.db2.gz JUKVSUDGKPHMQN-JQWIXIFHSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(N(C)C)cc2)cs1 ZINC000042401930 173385081 /nfs/dbraw/zinc/38/50/81/173385081.db2.gz HDGNDHFOOQMMLH-UHFFFAOYSA-N 1 0 246.379 3.201 10 0 BGAERO C[NH2+]Cc1cc(-c2ccccc2OC)cs1 ZINC000042401957 173385969 /nfs/dbraw/zinc/38/59/69/173385969.db2.gz KZDSKBNEHQNLQG-UHFFFAOYSA-N 1 0 233.336 3.143 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(F)cc2)cs1 ZINC000042401973 173385406 /nfs/dbraw/zinc/38/54/06/173385406.db2.gz TYYZYDFTHNZEPL-UHFFFAOYSA-N 1 0 221.300 3.274 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(OC)cc2)cs1 ZINC000042401986 173385675 /nfs/dbraw/zinc/38/56/75/173385675.db2.gz GDZVGONEZCRQHW-UHFFFAOYSA-N 1 0 233.336 3.143 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1Cc1ccc(Cl)cc1 ZINC000042402003 343436747 /nfs/dbraw/zinc/43/67/47/343436747.db2.gz XYIVOVSWBGNUHY-AAEUAGOBSA-N 1 0 223.747 3.400 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000042402007 343436230 /nfs/dbraw/zinc/43/62/30/343436230.db2.gz XYIVOVSWBGNUHY-YPMHNXCESA-N 1 0 223.747 3.400 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1Cc1ccc(Cl)cc1 ZINC000042402010 181574299 /nfs/dbraw/zinc/57/42/99/181574299.db2.gz XYIVOVSWBGNUHY-WCQYABFASA-N 1 0 223.747 3.400 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000042402014 343436595 /nfs/dbraw/zinc/43/65/95/343436595.db2.gz XYIVOVSWBGNUHY-DGCLKSJQSA-N 1 0 223.747 3.400 10 0 BGAERO C[NH2+]Cc1cc(-c2cccc(OC)c2)cs1 ZINC000042402032 173385780 /nfs/dbraw/zinc/38/57/80/173385780.db2.gz QRVRVRIARTWBEE-UHFFFAOYSA-N 1 0 233.336 3.143 10 0 BGAERO C[NH2+]Cc1cc(-c2cccc(F)c2)cs1 ZINC000042402040 173385766 /nfs/dbraw/zinc/38/57/66/173385766.db2.gz BANOIRRCZODRKB-UHFFFAOYSA-N 1 0 221.300 3.274 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1Cc1ccc(Cl)s1 ZINC000042402127 361996965 /nfs/dbraw/zinc/99/69/65/361996965.db2.gz AZPACXODKZBSSJ-WPRPVWTQSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H]1Cc1ccc(Cl)s1 ZINC000042402129 361997188 /nfs/dbraw/zinc/99/71/88/361997188.db2.gz AZPACXODKZBSSJ-SCZZXKLOSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1Cc1ccc(Cl)s1 ZINC000042402133 361997354 /nfs/dbraw/zinc/99/73/54/361997354.db2.gz AZPACXODKZBSSJ-WCBMZHEXSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1Cc1ccc(Cl)s1 ZINC000042402136 374270076 /nfs/dbraw/zinc/27/00/76/374270076.db2.gz AZPACXODKZBSSJ-PSASIEDQSA-N 1 0 229.776 3.462 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(OC)cc2C)cs1 ZINC000042402143 173386005 /nfs/dbraw/zinc/38/60/05/173386005.db2.gz VPNNIUYVBGCHGQ-UHFFFAOYSA-N 1 0 247.363 3.452 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc3c(c2)CCO3)cs1 ZINC000042402154 173385612 /nfs/dbraw/zinc/38/56/12/173385612.db2.gz YLQQTMJVSVMWRY-UHFFFAOYSA-N 1 0 245.347 3.069 10 0 BGAERO C[NH2+]Cc1cc(-c2ccc(OC)c(C)c2)cs1 ZINC000042402199 173385415 /nfs/dbraw/zinc/38/54/15/173385415.db2.gz QBPMGXVOVMFFLG-UHFFFAOYSA-N 1 0 247.363 3.452 10 0 BGAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccsc1 ZINC000042402230 374269137 /nfs/dbraw/zinc/26/91/37/374269137.db2.gz SUMOVLBHEFRCGE-VXGBXAGGSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CCCC[C@@H]1Cc1ccsc1 ZINC000042402234 374270130 /nfs/dbraw/zinc/27/01/30/374270130.db2.gz SUMOVLBHEFRCGE-NEPJUHHUSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@@H]1CCCC[C@H]1Cc1ccsc1 ZINC000042402238 374269335 /nfs/dbraw/zinc/26/93/35/374269335.db2.gz SUMOVLBHEFRCGE-NWDGAFQWSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CCCC[C@H]1Cc1ccsc1 ZINC000042402240 374270299 /nfs/dbraw/zinc/27/02/99/374270299.db2.gz SUMOVLBHEFRCGE-RYUDHWBXSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@@H]1CCCC[C@@H]1Cc1cccs1 ZINC000042402716 374270498 /nfs/dbraw/zinc/27/04/98/374270498.db2.gz UCCYGSNDOKRKFM-ZYHUDNBSSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CCCC[C@@H]1Cc1cccs1 ZINC000042402719 374269427 /nfs/dbraw/zinc/26/94/27/374269427.db2.gz UCCYGSNDOKRKFM-PWSUYJOCSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@@H]1CCCC[C@H]1Cc1cccs1 ZINC000042402722 374270512 /nfs/dbraw/zinc/27/05/12/374270512.db2.gz UCCYGSNDOKRKFM-CMPLNLGQSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CCCC[C@H]1Cc1cccs1 ZINC000042402726 374270517 /nfs/dbraw/zinc/27/05/17/374270517.db2.gz UCCYGSNDOKRKFM-JQWIXIFHSA-N 1 0 209.358 3.069 10 0 BGAERO CCCN(CC[NH2+]C)Cc1ccc(C(C)C)cc1 ZINC000042404231 169159119 /nfs/dbraw/zinc/15/91/19/169159119.db2.gz KGBXVYSUPAERAF-UHFFFAOYSA-N 1 0 248.414 3.241 10 0 BGAERO [NH3+][C@@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000042405089 181594306 /nfs/dbraw/zinc/59/43/06/181594306.db2.gz ZJIBIIWUPACDBI-OAHLLOKOSA-N 1 0 209.292 3.300 10 0 BGAERO [NH3+][C@H]1CCc2ccc(-c3ccccc3)cc21 ZINC000042405091 181655690 /nfs/dbraw/zinc/65/56/90/181655690.db2.gz ZJIBIIWUPACDBI-HNNXBMFYSA-N 1 0 209.292 3.300 10 0 BGAERO C[NH2+][C@@H]1CCc2c1cc(Cl)cc2Cl ZINC000042405169 374266321 /nfs/dbraw/zinc/26/63/21/374266321.db2.gz YHOXRXBCMFRMRD-SNVBAGLBSA-N 1 0 216.111 3.200 10 0 BGAERO C[NH2+][C@H]1CCc2c1cc(Cl)cc2Cl ZINC000042405171 374265872 /nfs/dbraw/zinc/26/58/72/374265872.db2.gz YHOXRXBCMFRMRD-JTQLQIEISA-N 1 0 216.111 3.200 10 0 BGAERO C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000042405197 374265422 /nfs/dbraw/zinc/26/54/22/374265422.db2.gz XZVSHWUFQQLOOL-SECBINFHSA-N 1 0 216.111 3.200 10 0 BGAERO C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl ZINC000042405199 374266344 /nfs/dbraw/zinc/26/63/44/374266344.db2.gz XZVSHWUFQQLOOL-VIFPVBQESA-N 1 0 216.111 3.200 10 0 BGAERO C[NH2+][C@@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405261 374265783 /nfs/dbraw/zinc/26/57/83/374265783.db2.gz JIIPNONNVOLSRF-SECBINFHSA-N 1 0 216.111 3.200 10 0 BGAERO C[NH2+][C@H]1CCc2cc(Cl)cc(Cl)c21 ZINC000042405263 374268145 /nfs/dbraw/zinc/26/81/45/374268145.db2.gz JIIPNONNVOLSRF-VIFPVBQESA-N 1 0 216.111 3.200 10 0 BGAERO C[NH2+]CCSc1ccc2ccccc2c1 ZINC000042408953 173357471 /nfs/dbraw/zinc/35/74/71/173357471.db2.gz FOOGJLGOFZFURU-UHFFFAOYSA-N 1 0 217.337 3.151 10 0 BGAERO CC[NH2+]CCN(CC)c1cccc2ccccc21 ZINC000042409358 170113410 /nfs/dbraw/zinc/11/34/10/170113410.db2.gz SXTBPWZDARHPBG-UHFFFAOYSA-N 1 0 242.366 3.276 10 0 BGAERO CCC[NH2+]CCCN1CCCc2cc(C)ccc21 ZINC000042409420 535157459 /nfs/dbraw/zinc/15/74/59/535157459.db2.gz VNKFYKUDPILJJA-UHFFFAOYSA-N 1 0 246.398 3.137 10 0 BGAERO CCC[NH2+]CCCN(CC)c1cccc(C)c1 ZINC000042409708 169256885 /nfs/dbraw/zinc/25/68/85/169256885.db2.gz SYTHQFPWJKSGNQ-UHFFFAOYSA-N 1 0 234.387 3.211 10 0 BGAERO C[NH2+]CCCn1c2ccccc2c2ccccc21 ZINC000042409913 173351308 /nfs/dbraw/zinc/35/13/08/173351308.db2.gz IVDKNYHNTWVPMO-UHFFFAOYSA-N 1 0 238.334 3.404 10 0 BGAERO Cc1cc(C)cc([C@H]([NH3+])CC(F)(F)F)c1 ZINC000042413212 398014743 /nfs/dbraw/zinc/01/47/43/398014743.db2.gz RKLKRJLEPHEUDY-SNVBAGLBSA-N 1 0 217.234 3.256 10 0 BGAERO Cc1cc(C)cc([C@@H]([NH3+])CC(F)(F)F)c1 ZINC000042413213 398014736 /nfs/dbraw/zinc/01/47/36/398014736.db2.gz RKLKRJLEPHEUDY-JTQLQIEISA-N 1 0 217.234 3.256 10 0 BGAERO [NH3+][C@H](CC(F)(F)F)c1ccccc1Cl ZINC000042413220 181613188 /nfs/dbraw/zinc/61/31/88/181613188.db2.gz IVKGAZBTXXHXBS-MRVPVSSYSA-N 1 0 223.625 3.292 10 0 BGAERO [NH3+][C@@H](CC(F)(F)F)c1ccccc1Cl ZINC000042413221 343436739 /nfs/dbraw/zinc/43/67/39/343436739.db2.gz IVKGAZBTXXHXBS-QMMMGPOBSA-N 1 0 223.625 3.292 10 0 BGAERO CCC[NH2+]CCCOc1ccc2c(c1)CCCC2 ZINC000042417611 169256397 /nfs/dbraw/zinc/25/63/97/169256397.db2.gz PWCQGAKWHAPRDB-UHFFFAOYSA-N 1 0 247.382 3.334 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)CC1CCCCC1 ZINC000042493946 173390172 /nfs/dbraw/zinc/39/01/72/173390172.db2.gz GSMDLOHYOJSOBM-UHFFFAOYSA-N 1 0 246.398 3.423 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@H]1CCC[C@@H](C)C1 ZINC000042493962 173390862 /nfs/dbraw/zinc/39/08/62/173390862.db2.gz QIELBNNEEPUEOE-HIFRSBDPSA-N 1 0 246.398 3.421 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@H]1CCC[C@H](C)C1 ZINC000042493963 173390767 /nfs/dbraw/zinc/39/07/67/173390767.db2.gz QIELBNNEEPUEOE-ZFWWWQNUSA-N 1 0 246.398 3.421 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@@H]1CCC[C@@H](C)C1 ZINC000042493964 173390746 /nfs/dbraw/zinc/39/07/46/173390746.db2.gz QIELBNNEEPUEOE-UKRRQHHQSA-N 1 0 246.398 3.421 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@@H]1CCC[C@H](C)C1 ZINC000042493965 173390341 /nfs/dbraw/zinc/39/03/41/173390341.db2.gz QIELBNNEEPUEOE-DZGCQCFKSA-N 1 0 246.398 3.421 10 0 BGAERO C[C@@H]1CCC[C@H]([N@H+](C)CC2(N)CCCCC2)C1 ZINC000042495812 176140252 /nfs/dbraw/zinc/14/02/52/176140252.db2.gz JYHSAXGEUJCSRR-KGLIPLIRSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@H]1CCC[C@H]([N@H+](C)CC2(N)CCCCC2)C1 ZINC000042495814 177133851 /nfs/dbraw/zinc/13/38/51/177133851.db2.gz JYHSAXGEUJCSRR-KBPBESRZSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@@H]1CCC[C@@H]([N@H+](C)CC2(N)CCCCC2)C1 ZINC000042495816 176121091 /nfs/dbraw/zinc/12/10/91/176121091.db2.gz JYHSAXGEUJCSRR-ZIAGYGMSSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@H]1CCC[C@@H]([N@H+](C)CC2(N)CCCCC2)C1 ZINC000042495818 177120010 /nfs/dbraw/zinc/12/00/10/177120010.db2.gz JYHSAXGEUJCSRR-UONOGXRCSA-N 1 0 238.419 3.159 10 0 BGAERO CCCC[C@H](CN)[N@H+](C)C1CCC(CC)CC1 ZINC000042515536 169002288 /nfs/dbraw/zinc/00/22/88/169002288.db2.gz FQOGVHBLVPBHOP-YMAMQOFZSA-N 1 0 240.435 3.405 10 0 BGAERO CCC1CCC([N@H+](C)[C@@H](CN)CC(C)C)CC1 ZINC000042515548 168515961 /nfs/dbraw/zinc/51/59/61/168515961.db2.gz USELXZKZOMZLEQ-YMAMQOFZSA-N 1 0 240.435 3.260 10 0 BGAERO CCCC[C@H](N)C[N@H+](C)C1CCC(CC)CC1 ZINC000042517009 169009519 /nfs/dbraw/zinc/00/95/19/169009519.db2.gz AJQDHEWPJGPKMG-SLTAFYQDSA-N 1 0 240.435 3.405 10 0 BGAERO CC(C)N(Cc1cccs1)c1cc[nH+]cc1N ZINC000042517550 188294323 /nfs/dbraw/zinc/29/43/23/188294323.db2.gz PCFWCUUDRUOYIT-UHFFFAOYSA-N 1 0 247.367 3.140 10 0 BGAERO CC[NH2+]Cc1cc2cc(F)ccc2s1 ZINC000042530041 170126578 /nfs/dbraw/zinc/12/65/78/170126578.db2.gz PSGJIGDZSMAKHF-UHFFFAOYSA-N 1 0 209.289 3.150 10 0 BGAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1cn(C)nc1C(C)C ZINC000042554290 171365873 /nfs/dbraw/zinc/36/58/73/171365873.db2.gz JYQISRFLJZFADY-NWDGAFQWSA-N 1 0 237.391 3.068 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]Cc1cn(C)nc1C(C)C ZINC000042554296 171389995 /nfs/dbraw/zinc/38/99/95/171389995.db2.gz JYQISRFLJZFADY-RYUDHWBXSA-N 1 0 237.391 3.068 10 0 BGAERO Cc1ccccc1[C@H](CN)[N@@H+](CC(C)C)C1CC1 ZINC000042555732 179342517 /nfs/dbraw/zinc/34/25/17/179342517.db2.gz DWJYZJHPFHOGHI-INIZCTEOSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1cccc([C@@H](CN)[N@@H+](CC(C)C)C2CC2)c1 ZINC000042555749 179184097 /nfs/dbraw/zinc/18/40/97/179184097.db2.gz OHTGXFPXXJVIDA-MRXNPFEDSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1cccc([C@H](CN)[N@@H+](CC(C)C)C2CC2)c1 ZINC000042555751 179198213 /nfs/dbraw/zinc/19/82/13/179198213.db2.gz OHTGXFPXXJVIDA-INIZCTEOSA-N 1 0 246.398 3.115 10 0 BGAERO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](CC(C)C)C2CC2)C1 ZINC000042556481 171056293 /nfs/dbraw/zinc/05/62/93/171056293.db2.gz VQOKYNDIJCXUSQ-VHDGCEQUSA-N 1 0 238.419 3.013 10 0 BGAERO CC[C@@H](C)[C@@H](C)[NH2+][C@@H](C)C(=O)Nc1ccccc1 ZINC000042556485 170774293 /nfs/dbraw/zinc/77/42/93/170774293.db2.gz DRPRMLFZLDSKJP-UPJWGTAASA-N 1 0 248.370 3.038 10 0 BGAERO CC[C@@H]1CC[C@@H](N)[C@H]([N@H+](CC(C)C)C2CC2)C1 ZINC000042556487 171040861 /nfs/dbraw/zinc/04/08/61/171040861.db2.gz VQOKYNDIJCXUSQ-BPLDGKMQSA-N 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/nfs/dbraw/zinc/97/12/26/170971226.db2.gz UBVFIPYAAUUBML-ZYHUDNBSSA-N 1 0 219.332 3.045 10 0 BGAERO CCC1CCC(Nc2cc[nH+]cc2N)CC1 ZINC000042577947 168523302 /nfs/dbraw/zinc/52/33/02/168523302.db2.gz XCKDKABMNFOUOZ-UHFFFAOYSA-N 1 0 219.332 3.045 10 0 BGAERO Cc1ccccc1[C@H](CN)[N@H+](CC(C)C)C(C)C ZINC000042579025 179341319 /nfs/dbraw/zinc/34/13/19/179341319.db2.gz JQVLOQSCQDZDSI-INIZCTEOSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@@H](CN)[N@H+](CC(C)C)C(C)C)c1 ZINC000042579036 179184885 /nfs/dbraw/zinc/18/48/85/179184885.db2.gz MUPSPTHPOYDCCB-MRXNPFEDSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@H](CN)[N@H+](CC(C)C)C(C)C)c1 ZINC000042579039 179198461 /nfs/dbraw/zinc/19/84/61/179198461.db2.gz MUPSPTHPOYDCCB-INIZCTEOSA-N 1 0 248.414 3.361 10 0 BGAERO CC(C)[N@H+](CC1CC1)C1(CN)CCC(C)CC1 ZINC000042579910 168154105 /nfs/dbraw/zinc/15/41/05/168154105.db2.gz YAELOEGZEJZBDE-UHFFFAOYSA-N 1 0 238.419 3.014 10 0 BGAERO Cc1ccccc1[C@H](CN)[N@@H+](CC1CC1)C(C)C ZINC000042579953 179342325 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171056193 /nfs/dbraw/zinc/05/61/93/171056193.db2.gz IZKCCMJVGHDMHZ-LJISPDSOSA-N 1 0 240.435 3.259 10 0 BGAERO Cc1ccccc1[C@H](N)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000042580897 179343085 /nfs/dbraw/zinc/34/30/85/179343085.db2.gz BVOXOCRDISPUSY-GOEBONIOSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@@H](N)C[N@@H+](C)[C@@H](C)CC(C)C ZINC000042580900 179325041 /nfs/dbraw/zinc/32/50/41/179325041.db2.gz BVOXOCRDISPUSY-HOCLYGCPSA-N 1 0 248.414 3.361 10 0 BGAERO CC(C)C[C@H](C)[N@H+](C)[C@@H]1CCCCCC[C@@H]1N ZINC000042581068 188294020 /nfs/dbraw/zinc/29/40/20/188294020.db2.gz XQOVMVCHDYZOCJ-SOUVJXGZSA-N 1 0 240.435 3.403 10 0 BGAERO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](CC(C)C)C(C)C)C1 ZINC000042581531 171056474 /nfs/dbraw/zinc/05/64/74/171056474.db2.gz PBDGSVBCICNDRK-QLFBSQMISA-N 1 0 240.435 3.259 10 0 BGAERO CC[C@@H]1CC[C@@H](N)[C@H]([N@H+](CC(C)C)C(C)C)C1 ZINC000042581537 171040145 /nfs/dbraw/zinc/04/01/45/171040145.db2.gz PBDGSVBCICNDRK-RBSFLKMASA-N 1 0 240.435 3.259 10 0 BGAERO Cc1ccccc1[C@H](N)C[N@@H+](CC(C)C)C(C)C ZINC000042581554 179343149 /nfs/dbraw/zinc/34/31/49/179343149.db2.gz XPMLXLXLVQMHIQ-MRXNPFEDSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@@H](N)C[N@@H+](CC(C)C)C(C)C ZINC000042581557 179324754 /nfs/dbraw/zinc/32/47/54/179324754.db2.gz XPMLXLXLVQMHIQ-INIZCTEOSA-N 1 0 248.414 3.361 10 0 BGAERO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](CC2CC2)C(C)C)C1 ZINC000042581896 171056430 /nfs/dbraw/zinc/05/64/30/171056430.db2.gz KIXFAJMGCYIBAB-VHDGCEQUSA-N 1 0 238.419 3.013 10 0 BGAERO CC[C@@H]1CC[C@@H](N)[C@H]([N@H+](CC2CC2)C(C)C)C1 ZINC000042581902 171040365 /nfs/dbraw/zinc/04/03/65/171040365.db2.gz KIXFAJMGCYIBAB-BPLDGKMQSA-N 1 0 238.419 3.013 10 0 BGAERO Cc1ccccc1[C@H](N)C[N@H+](CC1CC1)C(C)C ZINC000042581926 179344084 /nfs/dbraw/zinc/34/40/84/179344084.db2.gz ALALXASLENQACO-MRXNPFEDSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1ccccc1[C@@H](N)C[N@H+](CC1CC1)C(C)C ZINC000042581929 179325175 /nfs/dbraw/zinc/32/51/75/179325175.db2.gz ALALXASLENQACO-INIZCTEOSA-N 1 0 246.398 3.115 10 0 BGAERO CC(C)C[N@H+](C(C)C)[C@@H]1CNc2ccccc2C1 ZINC000042584376 166930482 /nfs/dbraw/zinc/93/04/82/166930482.db2.gz AWXUYWUGEPKVFH-HNNXBMFYSA-N 1 0 246.398 3.390 10 0 BGAERO CC[C@H]([NH2+]Cc1ccc(F)cc1F)C(C)C ZINC000042584641 342778330 /nfs/dbraw/zinc/77/83/30/342778330.db2.gz IXBBWNHRKHXYQH-ZDUSSCGKSA-N 1 0 227.298 3.489 10 0 BGAERO CC[C@@H]([NH2+]Cc1ccc(F)cc1F)C(C)C ZINC000042584644 342778329 /nfs/dbraw/zinc/77/83/29/342778329.db2.gz IXBBWNHRKHXYQH-CYBMUJFWSA-N 1 0 227.298 3.489 10 0 BGAERO CC[C@H]([NH2+]Cc1ccc(F)c(F)c1)C(C)C ZINC000042584687 322839143 /nfs/dbraw/zinc/83/91/43/322839143.db2.gz MFZFCSVQQJVIKT-ZDUSSCGKSA-N 1 0 227.298 3.489 10 0 BGAERO CC[C@@H]([NH2+]Cc1ccc(F)c(F)c1)C(C)C ZINC000042584689 384641944 /nfs/dbraw/zinc/64/19/44/384641944.db2.gz MFZFCSVQQJVIKT-CYBMUJFWSA-N 1 0 227.298 3.489 10 0 BGAERO CC(C)N(CC1CC1)c1ccccc1[C@H](C)[NH3+] ZINC000042584908 188293898 /nfs/dbraw/zinc/29/38/98/188293898.db2.gz LOHTUHYISMZZIL-LBPRGKRZSA-N 1 0 232.371 3.331 10 0 BGAERO CC[C@H]([NH2+]Cc1cnc2ccccc2n1)C(C)C ZINC000042585995 171532025 /nfs/dbraw/zinc/53/20/25/171532025.db2.gz WKSWCMNEWZEUKY-ZDUSSCGKSA-N 1 0 243.354 3.154 10 0 BGAERO CC[C@@H]([NH2+]Cc1cnc2ccccc2n1)C(C)C ZINC000042585998 342778202 /nfs/dbraw/zinc/77/82/02/342778202.db2.gz WKSWCMNEWZEUKY-CYBMUJFWSA-N 1 0 243.354 3.154 10 0 BGAERO CC[C@@H]([NH2+]Cc1cnn(C(C)(C)C)c1)C(C)C ZINC000042586325 170903515 /nfs/dbraw/zinc/90/35/15/170903515.db2.gz XHXHPXIDGVIPJG-CYBMUJFWSA-N 1 0 237.391 3.162 10 0 BGAERO CC[C@@H]([NH2+]Cc1cn(C)nc1C(C)C)C(C)C ZINC000042586361 170903697 /nfs/dbraw/zinc/90/36/97/170903697.db2.gz MTBCJDDZTUFSSN-CYBMUJFWSA-N 1 0 237.391 3.068 10 0 BGAERO CCc1ncc(C[NH2+][C@@H](CC)C(C)C)s1 ZINC000042586418 538978325 /nfs/dbraw/zinc/97/83/25/538978325.db2.gz AIDRWCMZWLHTPW-NSHDSACASA-N 1 0 226.389 3.230 10 0 BGAERO CCc1ncc(C[NH2+][C@H](CC)C(C)C)s1 ZINC000042586421 538978224 /nfs/dbraw/zinc/97/82/24/538978224.db2.gz AIDRWCMZWLHTPW-LLVKDONJSA-N 1 0 226.389 3.230 10 0 BGAERO CC(C)C[C@H](C)[N@H+](C)CC(=O)Cc1ccccc1 ZINC000042586682 188293405 /nfs/dbraw/zinc/29/34/05/188293405.db2.gz QRNIRAICZJRWND-AWEZNQCLSA-N 1 0 247.382 3.165 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@H](C)CC(C)C ZINC000042588362 173390225 /nfs/dbraw/zinc/39/02/25/173390225.db2.gz BIGCUSUWRRPMBV-CYBMUJFWSA-N 1 0 234.387 3.277 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@@H](C)CC(C)C ZINC000042588364 173390646 /nfs/dbraw/zinc/39/06/46/173390646.db2.gz BIGCUSUWRRPMBV-ZDUSSCGKSA-N 1 0 234.387 3.277 10 0 BGAERO CC(C)C[C@@H](C)N(C)c1ccc(F)cc1C[NH3+] ZINC000042588451 187266217 /nfs/dbraw/zinc/26/62/17/187266217.db2.gz XXMUWJNLNNCWJI-LLVKDONJSA-N 1 0 238.350 3.155 10 0 BGAERO CC(C)C[C@H](C)N(C)c1ccc(F)cc1C[NH3+] ZINC000042588454 188477563 /nfs/dbraw/zinc/47/75/63/188477563.db2.gz XXMUWJNLNNCWJI-NSHDSACASA-N 1 0 238.350 3.155 10 0 BGAERO C[NH2+]Cc1ccccc1N(CC(C)C)C(C)C ZINC000042588813 173390506 /nfs/dbraw/zinc/39/05/06/173390506.db2.gz OVBWGNQCHWQXIV-UHFFFAOYSA-N 1 0 234.387 3.277 10 0 BGAERO C[NH2+]Cc1ccccc1N(CC1CC1)C(C)C ZINC000042588925 173390539 /nfs/dbraw/zinc/39/05/39/173390539.db2.gz GZYGOHCIRYYOEY-UHFFFAOYSA-N 1 0 232.371 3.031 10 0 BGAERO CC[NH2+]Cc1ccccc1N(CC1CC1)C(C)C ZINC000042588974 170128710 /nfs/dbraw/zinc/12/87/10/170128710.db2.gz JRTTUFBPFCINPI-UHFFFAOYSA-N 1 0 246.398 3.421 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccccc1)C(C)C ZINC000042589438 170907489 /nfs/dbraw/zinc/90/74/89/170907489.db2.gz LNVHMEOGCVRFFN-GXTWGEPZSA-N 1 0 248.370 3.038 10 0 BGAERO CC(C)CCC[C@@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000042589507 166823746 /nfs/dbraw/zinc/82/37/46/166823746.db2.gz FYHQBVJNJKWSOA-KFWWJZLASA-N 1 0 241.419 3.484 10 0 BGAERO CCC[NH2+][C@@H]1CCN([C@@H](C)CCCC(C)C)C1 ZINC000042590302 169283016 /nfs/dbraw/zinc/28/30/16/169283016.db2.gz QTOFECAEHGMYNX-LSDHHAIUSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+][C@H]1CCN([C@@H](C)CCCC(C)C)C1 ZINC000042590305 169292086 /nfs/dbraw/zinc/29/20/86/169292086.db2.gz QTOFECAEHGMYNX-GJZGRUSLSA-N 1 0 240.435 3.275 10 0 BGAERO [NH2+]=C1CCCN1c1ccc(Cl)cc1F ZINC000042590556 362011613 /nfs/dbraw/zinc/01/16/13/362011613.db2.gz YPPQNIUZDZFREF-UHFFFAOYSA-N 1 0 212.655 3.057 10 0 BGAERO CC[C@H](C(C)C)n1c(N)[nH+]c2cc(F)ccc21 ZINC000042591875 171242742 /nfs/dbraw/zinc/24/27/42/171242742.db2.gz LRISZFOIMJJHLA-LLVKDONJSA-N 1 0 235.306 3.365 10 0 BGAERO C[C@H](NC1=[NH+]CCS1)c1ccc(Cl)s1 ZINC000042591937 362011888 /nfs/dbraw/zinc/01/18/88/362011888.db2.gz AQYPGHACCKLJAE-LURJTMIESA-N 1 0 246.788 3.155 10 0 BGAERO C[C@@H](NC1=[NH+]CCS1)c1ccc(Cl)s1 ZINC000042591940 362011873 /nfs/dbraw/zinc/01/18/73/362011873.db2.gz AQYPGHACCKLJAE-ZCFIWIBFSA-N 1 0 246.788 3.155 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN1CCCC1 ZINC000042597644 179321632 /nfs/dbraw/zinc/32/16/32/179321632.db2.gz LKRBWODCDKQXDV-LSDHHAIUSA-N 1 0 246.398 3.130 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN1CCCC1 ZINC000042597648 179338185 /nfs/dbraw/zinc/33/81/85/179338185.db2.gz LKRBWODCDKQXDV-GJZGRUSLSA-N 1 0 246.398 3.130 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN1CCCC1 ZINC000042597653 179323605 /nfs/dbraw/zinc/32/36/05/179323605.db2.gz LKRBWODCDKQXDV-HUUCEWRRSA-N 1 0 246.398 3.130 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](C)CN1CCCC1 ZINC000042597743 171296583 /nfs/dbraw/zinc/29/65/83/171296583.db2.gz YSHXSWGBGWWTBO-SOUVJXGZSA-N 1 0 240.435 3.275 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)CN1CCCC1 ZINC000042597751 171299634 /nfs/dbraw/zinc/29/96/34/171299634.db2.gz YSHXSWGBGWWTBO-KKUMJFAQSA-N 1 0 240.435 3.275 10 0 BGAERO C[C@@H]([NH2+]CCc1ccsc1)c1ccc(O)cc1 ZINC000042598868 175885593 /nfs/dbraw/zinc/88/55/93/175885593.db2.gz KEWGYQKDZAHFBW-LLVKDONJSA-N 1 0 247.363 3.347 10 0 BGAERO Cc1ccc([C@@H](C)Nc2cc[nH+]cc2N)s1 ZINC000042599515 178851700 /nfs/dbraw/zinc/85/17/00/178851700.db2.gz IFAXERGFXRLMGK-SECBINFHSA-N 1 0 233.340 3.207 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1N ZINC000042601421 176079330 /nfs/dbraw/zinc/07/93/30/176079330.db2.gz DXCXULSGTGARGN-DOMZBBRYSA-N 1 0 232.371 3.279 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@H+](C)Cc1ccccc1N ZINC000042601424 177081198 /nfs/dbraw/zinc/08/11/98/177081198.db2.gz DXCXULSGTGARGN-WFASDCNBSA-N 1 0 232.371 3.279 10 0 BGAERO C[C@@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1N ZINC000042601427 176086470 /nfs/dbraw/zinc/08/64/70/176086470.db2.gz DXCXULSGTGARGN-IUODEOHRSA-N 1 0 232.371 3.279 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@H+](C)Cc1ccccc1N ZINC000042601430 177086977 /nfs/dbraw/zinc/08/69/77/177086977.db2.gz DXCXULSGTGARGN-SWLSCSKDSA-N 1 0 232.371 3.279 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCCCC1=O ZINC000042602395 176079348 /nfs/dbraw/zinc/07/93/48/176079348.db2.gz GNXMIPXNGXETGJ-HZSPNIEDSA-N 1 0 237.387 3.399 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCCCC1=O ZINC000042602397 177080532 /nfs/dbraw/zinc/08/05/32/177080532.db2.gz GNXMIPXNGXETGJ-MELADBBJSA-N 1 0 237.387 3.399 10 0 BGAERO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCCCC1=O ZINC000042602399 176086131 /nfs/dbraw/zinc/08/61/31/176086131.db2.gz GNXMIPXNGXETGJ-MGPQQGTHSA-N 1 0 237.387 3.399 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCCCC1=O ZINC000042602401 177086623 /nfs/dbraw/zinc/08/66/23/177086623.db2.gz GNXMIPXNGXETGJ-BFHYXJOUSA-N 1 0 237.387 3.399 10 0 BGAERO C[C@@H]1CC[C@H](N)[C@H]([N@H+](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000042607284 177086920 /nfs/dbraw/zinc/08/69/20/177086920.db2.gz OYLVIIQLCXWVHI-GZBLMMOJSA-N 1 0 238.419 3.013 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000042607288 176078914 /nfs/dbraw/zinc/07/89/14/176078914.db2.gz CXOLUVRHRDDAHP-CBBWQLFWSA-N 1 0 238.419 3.157 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000042607289 177081277 /nfs/dbraw/zinc/08/12/77/177081277.db2.gz CXOLUVRHRDDAHP-ZQDZILKHSA-N 1 0 238.419 3.157 10 0 BGAERO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000042607290 176086844 /nfs/dbraw/zinc/08/68/44/176086844.db2.gz CXOLUVRHRDDAHP-LXTVHRRPSA-N 1 0 238.419 3.157 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H]1CCCCC[C@@H]1N ZINC000042607291 177087548 /nfs/dbraw/zinc/08/75/48/177087548.db2.gz CXOLUVRHRDDAHP-BYNSBNAKSA-N 1 0 238.419 3.157 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@H+](C)CC(=O)c1ccccc1 ZINC000042609048 177081271 /nfs/dbraw/zinc/08/12/71/177081271.db2.gz SHAMBZNQNFVPNE-ZFWWWQNUSA-N 1 0 245.366 3.380 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@H+](C)CC(=O)c1ccccc1 ZINC000042609050 177087474 /nfs/dbraw/zinc/08/74/74/177087474.db2.gz SHAMBZNQNFVPNE-DZGCQCFKSA-N 1 0 245.366 3.380 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@H]1CCCC[C@H]1C ZINC000042609467 173390819 /nfs/dbraw/zinc/39/08/19/173390819.db2.gz XLODQRLJXSBJOP-HIFRSBDPSA-N 1 0 246.398 3.421 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@H]1CCCC[C@@H]1C ZINC000042609468 173390175 /nfs/dbraw/zinc/39/01/75/173390175.db2.gz XLODQRLJXSBJOP-ZFWWWQNUSA-N 1 0 246.398 3.421 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@@H]1CCCC[C@H]1C ZINC000042609469 173390785 /nfs/dbraw/zinc/39/07/85/173390785.db2.gz XLODQRLJXSBJOP-UKRRQHHQSA-N 1 0 246.398 3.421 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@@H]1CCCC[C@@H]1C ZINC000042609470 173390273 /nfs/dbraw/zinc/39/02/73/173390273.db2.gz XLODQRLJXSBJOP-DZGCQCFKSA-N 1 0 246.398 3.421 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)CC1(N)CCCCC1 ZINC000042611068 176079233 /nfs/dbraw/zinc/07/92/33/176079233.db2.gz FACWAYIHYWOWQJ-KGLIPLIRSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@H+](C)CC1(N)CCCCC1 ZINC000042611070 177080697 /nfs/dbraw/zinc/08/06/97/177080697.db2.gz FACWAYIHYWOWQJ-KBPBESRZSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@@H]1CCCC[C@H]1[N@H+](C)CC1(N)CCCCC1 ZINC000042611071 176086448 /nfs/dbraw/zinc/08/64/48/176086448.db2.gz FACWAYIHYWOWQJ-ZIAGYGMSSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@H+](C)CC1(N)CCCCC1 ZINC000042611073 177087377 /nfs/dbraw/zinc/08/73/77/177087377.db2.gz FACWAYIHYWOWQJ-UONOGXRCSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@H+](C)C1(CN)CCCCC1 ZINC000042679732 177081257 /nfs/dbraw/zinc/08/12/57/177081257.db2.gz UXHJGWXUTDYNNI-KBPBESRZSA-N 1 0 238.419 3.159 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@H+](C)C1(CN)CCCCC1 ZINC000042679734 177087249 /nfs/dbraw/zinc/08/72/49/177087249.db2.gz UXHJGWXUTDYNNI-UONOGXRCSA-N 1 0 238.419 3.159 10 0 BGAERO CC(C)[NH2+]CCN(C)Cc1ccc(C(C)C)cc1 ZINC000042691159 167102008 /nfs/dbraw/zinc/10/20/08/167102008.db2.gz FNNGWSCMYUWEJT-UHFFFAOYSA-N 1 0 248.414 3.240 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2sccc2C)c(C)o1 ZINC000042728711 178237426 /nfs/dbraw/zinc/23/74/26/178237426.db2.gz LCPMJBWPUYCPNX-LLVKDONJSA-N 1 0 221.325 3.314 10 0 BGAERO Cc1cc([C@H]([NH3+])c2sccc2C)c(C)o1 ZINC000042728713 178262204 /nfs/dbraw/zinc/26/22/04/178262204.db2.gz LCPMJBWPUYCPNX-NSHDSACASA-N 1 0 221.325 3.314 10 0 BGAERO Cc1ccsc1[C@H]([NH3+])c1ccsc1 ZINC000042728730 362020891 /nfs/dbraw/zinc/02/08/91/362020891.db2.gz KBVPPAWECOPBHA-SECBINFHSA-N 1 0 209.339 3.166 10 0 BGAERO Cc1ccsc1[C@@H]([NH3+])c1ccsc1 ZINC000042728731 362020525 /nfs/dbraw/zinc/02/05/25/362020525.db2.gz KBVPPAWECOPBHA-VIFPVBQESA-N 1 0 209.339 3.166 10 0 BGAERO Cc1ccsc1[C@H]([NH3+])CC(F)(F)F ZINC000042728815 362021034 /nfs/dbraw/zinc/02/10/34/362021034.db2.gz ZRNGEZSUFNWWHZ-ZCFIWIBFSA-N 1 0 209.236 3.009 10 0 BGAERO Cc1ccsc1[C@@H]([NH3+])CC(F)(F)F ZINC000042728817 362020499 /nfs/dbraw/zinc/02/04/99/362020499.db2.gz ZRNGEZSUFNWWHZ-LURJTMIESA-N 1 0 209.236 3.009 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])c1sccc1C ZINC000042728955 175347924 /nfs/dbraw/zinc/34/79/24/175347924.db2.gz YMLGYHBTTJWAOR-GFCCVEGCSA-N 1 0 233.336 3.113 10 0 BGAERO COc1ccccc1[C@H]([NH3+])c1sccc1C ZINC000042728957 175353085 /nfs/dbraw/zinc/35/30/85/175353085.db2.gz YMLGYHBTTJWAOR-LBPRGKRZSA-N 1 0 233.336 3.113 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2sccc2C)c1 ZINC000042728983 175288664 /nfs/dbraw/zinc/28/86/64/175288664.db2.gz XITMTCCUCFGMNF-GFCCVEGCSA-N 1 0 233.336 3.113 10 0 BGAERO COc1cccc([C@H]([NH3+])c2sccc2C)c1 ZINC000042728984 175295109 /nfs/dbraw/zinc/29/51/09/175295109.db2.gz XITMTCCUCFGMNF-LBPRGKRZSA-N 1 0 233.336 3.113 10 0 BGAERO COc1cc([C@H]([NH3+])c2sccc2C)ccc1C ZINC000042729049 175017071 /nfs/dbraw/zinc/01/70/71/175017071.db2.gz DYMGPYQDKCAEBN-ZDUSSCGKSA-N 1 0 247.363 3.422 10 0 BGAERO COc1cc([C@@H]([NH3+])c2sccc2C)ccc1C ZINC000042729051 175014714 /nfs/dbraw/zinc/01/47/14/175014714.db2.gz DYMGPYQDKCAEBN-CYBMUJFWSA-N 1 0 247.363 3.422 10 0 BGAERO C[NH2+][C@H](c1ccsc1)c1sccc1C ZINC000042729091 374283356 /nfs/dbraw/zinc/28/33/56/374283356.db2.gz VJDWKWSZLUTSKL-SNVBAGLBSA-N 1 0 223.366 3.427 10 0 BGAERO C[NH2+][C@@H](c1ccsc1)c1sccc1C ZINC000042729093 374283448 /nfs/dbraw/zinc/28/34/48/374283448.db2.gz VJDWKWSZLUTSKL-JTQLQIEISA-N 1 0 223.366 3.427 10 0 BGAERO C[NH2+][C@@H](c1sccc1C)c1ccccc1OC ZINC000042729414 173457347 /nfs/dbraw/zinc/45/73/47/173457347.db2.gz QBXQDYVCPXHKFX-CYBMUJFWSA-N 1 0 247.363 3.374 10 0 BGAERO C[NH2+][C@H](c1sccc1C)c1ccccc1OC ZINC000042729415 173429342 /nfs/dbraw/zinc/42/93/42/173429342.db2.gz QBXQDYVCPXHKFX-ZDUSSCGKSA-N 1 0 247.363 3.374 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1sccc1C ZINC000042729597 170149353 /nfs/dbraw/zinc/14/93/53/170149353.db2.gz OCKHJNMLVFLNHS-NSHDSACASA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1sccc1C ZINC000042729600 170164902 /nfs/dbraw/zinc/16/49/02/170164902.db2.gz OCKHJNMLVFLNHS-LLVKDONJSA-N 1 0 221.325 3.348 10 0 BGAERO CC[NH2+][C@H](c1sccc1C)c1cccnc1 ZINC000042729817 170148558 /nfs/dbraw/zinc/14/85/58/170148558.db2.gz ANEYPTAQUBHVTG-LBPRGKRZSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1sccc1C)c1cccnc1 ZINC000042729820 170165125 /nfs/dbraw/zinc/16/51/25/170165125.db2.gz ANEYPTAQUBHVTG-GFCCVEGCSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@H](c1sccc1C)c1ccncc1 ZINC000042729834 170149780 /nfs/dbraw/zinc/14/97/80/170149780.db2.gz BDZCQKXAVDXSMF-LBPRGKRZSA-N 1 0 232.352 3.150 10 0 BGAERO CC[NH2+][C@@H](c1sccc1C)c1ccncc1 ZINC000042729837 170164862 /nfs/dbraw/zinc/16/48/62/170164862.db2.gz BDZCQKXAVDXSMF-GFCCVEGCSA-N 1 0 232.352 3.150 10 0 BGAERO C[C@H]([N@H+](C)[C@]1(CN)CCCC[C@H]1C)C(C)(C)C ZINC000042742099 176745415 /nfs/dbraw/zinc/74/54/15/176745415.db2.gz ICYWADLKDLILME-IPYPFGDCSA-N 1 0 240.435 3.260 10 0 BGAERO C[C@H]([N@H+](C)C1(CN)CCC(C)CC1)C(C)(C)C ZINC000042742123 168152927 /nfs/dbraw/zinc/15/29/27/168152927.db2.gz RLAFYJXIOQDLNV-OWYJLGKBSA-N 1 0 240.435 3.260 10 0 BGAERO C[C@@H]([N@H+](C)C1(CN)CCC(C)CC1)C(C)(C)C ZINC000042742126 168154282 /nfs/dbraw/zinc/15/42/82/168154282.db2.gz RLAFYJXIOQDLNV-JVWICGRDSA-N 1 0 240.435 3.260 10 0 BGAERO Cc1ccccc1[C@@H](CN)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042742158 187266399 /nfs/dbraw/zinc/26/63/99/187266399.db2.gz UKNLHCWGLTTYAR-DZGCQCFKSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@H](CN)[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042742160 179341675 /nfs/dbraw/zinc/34/16/75/179341675.db2.gz UKNLHCWGLTTYAR-ZFWWWQNUSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@@H](CN)[N@@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000042742169 179184929 /nfs/dbraw/zinc/18/49/29/179184929.db2.gz DIJUKLCBMVCTIA-DZGCQCFKSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@H](CN)[N@@H+](C)[C@@H](C)C(C)(C)C)c1 ZINC000042742172 179198378 /nfs/dbraw/zinc/19/83/78/179198378.db2.gz DIJUKLCBMVCTIA-ZFWWWQNUSA-N 1 0 248.414 3.361 10 0 BGAERO CC[C@@H]1CC[C@H](N)[C@H]([N@H+](C)[C@@H](C)C(C)(C)C)C1 ZINC000042747283 171056302 /nfs/dbraw/zinc/05/63/02/171056302.db2.gz RIHMLACYUDAYIE-RFQIPJPRSA-N 1 0 240.435 3.259 10 0 BGAERO Cc1ccccc1[C@H](N)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042747308 179343229 /nfs/dbraw/zinc/34/32/29/179343229.db2.gz APJHXNUXLPGVNY-DZGCQCFKSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@@H](N)C[N@@H+](C)[C@@H](C)C(C)(C)C ZINC000042747311 179324876 /nfs/dbraw/zinc/32/48/76/179324876.db2.gz APJHXNUXLPGVNY-ZFWWWQNUSA-N 1 0 248.414 3.361 10 0 BGAERO C[C@@H]([C@H](N)c1ccccc1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042747415 176012478 /nfs/dbraw/zinc/01/24/78/176012478.db2.gz WYJHACLCHXTWBM-YDHLFZDLSA-N 1 0 248.414 3.441 10 0 BGAERO C[C@H]([C@H](N)c1ccccc1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042747418 176744014 /nfs/dbraw/zinc/74/40/14/176744014.db2.gz WYJHACLCHXTWBM-IPYPFGDCSA-N 1 0 248.414 3.441 10 0 BGAERO C[C@@H]([C@@H](N)c1ccccc1)[N@H+](C)[C@@H](C)C(C)(C)C ZINC000042747421 176011272 /nfs/dbraw/zinc/01/12/72/176011272.db2.gz WYJHACLCHXTWBM-KCQAQPDRSA-N 1 0 248.414 3.441 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@@H](C)C(C)(C)C ZINC000042777120 173390358 /nfs/dbraw/zinc/39/03/58/173390358.db2.gz LHUCBMRWYZHAOX-LBPRGKRZSA-N 1 0 234.387 3.277 10 0 BGAERO C[NH2+]Cc1ccccc1N(C)[C@H](C)C(C)(C)C ZINC000042777123 173390390 /nfs/dbraw/zinc/39/03/90/173390390.db2.gz LHUCBMRWYZHAOX-GFCCVEGCSA-N 1 0 234.387 3.277 10 0 BGAERO Cc1cc(C[N@@H+](C)[C@@H](C)C(C)(C)C)ccc1N ZINC000042781581 177977757 /nfs/dbraw/zinc/97/77/57/177977757.db2.gz VOPGXGRMLSWANG-LBPRGKRZSA-N 1 0 234.387 3.444 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(O)cc1 ZINC000042812307 171525581 /nfs/dbraw/zinc/52/55/81/171525581.db2.gz IETCJBYZOQIIHV-GJZGRUSLSA-N 1 0 249.354 3.002 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1CCCCO1)c1ccc(O)cc1 ZINC000042812311 170898930 /nfs/dbraw/zinc/89/89/30/170898930.db2.gz IETCJBYZOQIIHV-LSDHHAIUSA-N 1 0 249.354 3.002 10 0 BGAERO C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCCO2)CC(C)(C)C1 ZINC000042813220 177370416 /nfs/dbraw/zinc/37/04/16/177370416.db2.gz JXRSBPHAWDPQEA-IHRRRGAJSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCCO2)CC(C)(C)C1 ZINC000042813230 177331841 /nfs/dbraw/zinc/33/18/41/177331841.db2.gz JXRSBPHAWDPQEA-MJBXVCDLSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000042860660 176077793 /nfs/dbraw/zinc/07/77/93/176077793.db2.gz ZSFMGQDTYWIQBD-TUVASFSCSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000042860663 177080197 /nfs/dbraw/zinc/08/01/97/177080197.db2.gz ZSFMGQDTYWIQBD-YJNKXOJESA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000042860666 176085738 /nfs/dbraw/zinc/08/57/38/176085738.db2.gz ZSFMGQDTYWIQBD-BARDWOONSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@H]1CCCC[C@H]1C[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000042860669 177086127 /nfs/dbraw/zinc/08/61/27/177086127.db2.gz ZSFMGQDTYWIQBD-XQLPTFJDSA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)CCOCC[NH2+]C[C@H]1CCCC[C@H]1C ZINC000042860844 166874218 /nfs/dbraw/zinc/87/42/18/166874218.db2.gz XGYXDIRWKUVPAK-HUUCEWRRSA-N 1 0 241.419 3.465 10 0 BGAERO C[C@@H]1CCCC[C@@H]1Cn1c(N)[nH+]c2ccccc21 ZINC000042865812 176077752 /nfs/dbraw/zinc/07/77/52/176077752.db2.gz ZEWCWOKCDYYKOZ-VXGBXAGGSA-N 1 0 243.354 3.445 10 0 BGAERO C[C@@H]1CCCC[C@H]1Cn1c(N)[nH+]c2ccccc21 ZINC000042865818 176085978 /nfs/dbraw/zinc/08/59/78/176085978.db2.gz ZEWCWOKCDYYKOZ-NEPJUHHUSA-N 1 0 243.354 3.445 10 0 BGAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1Cc2cccc(N)c2C1 ZINC000042866704 176076771 /nfs/dbraw/zinc/07/67/71/176076771.db2.gz PGODIOAEXUIXHO-CHWSQXEVSA-N 1 0 244.382 3.411 10 0 BGAERO C[C@H]1CCCC[C@@H]1C[N@@H+]1Cc2cccc(N)c2C1 ZINC000042866706 177079529 /nfs/dbraw/zinc/07/95/29/177079529.db2.gz PGODIOAEXUIXHO-QWHCGFSZSA-N 1 0 244.382 3.411 10 0 BGAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1Cc2cccc(N)c2C1 ZINC000042866709 176085013 /nfs/dbraw/zinc/08/50/13/176085013.db2.gz PGODIOAEXUIXHO-OLZOCXBDSA-N 1 0 244.382 3.411 10 0 BGAERO C[C@H]1CCCC[C@H]1C[N@@H+]1Cc2cccc(N)c2C1 ZINC000042866712 177085173 /nfs/dbraw/zinc/08/51/73/177085173.db2.gz PGODIOAEXUIXHO-STQMWFEESA-N 1 0 244.382 3.411 10 0 BGAERO C[C@@H]1CCCC[C@@H]1C[N@@H+]1Cc2ccc(N)cc2C1 ZINC000042866715 176076666 /nfs/dbraw/zinc/07/66/66/176076666.db2.gz YDNWIMVEYXCALL-CHWSQXEVSA-N 1 0 244.382 3.411 10 0 BGAERO C[C@H]1CCCC[C@@H]1C[N@@H+]1Cc2ccc(N)cc2C1 ZINC000042866717 177079511 /nfs/dbraw/zinc/07/95/11/177079511.db2.gz YDNWIMVEYXCALL-QWHCGFSZSA-N 1 0 244.382 3.411 10 0 BGAERO C[C@@H]1CCCC[C@H]1C[N@@H+]1Cc2ccc(N)cc2C1 ZINC000042866719 176084032 /nfs/dbraw/zinc/08/40/32/176084032.db2.gz YDNWIMVEYXCALL-OLZOCXBDSA-N 1 0 244.382 3.411 10 0 BGAERO C[C@H]1CCCC[C@H]1C[N@@H+]1Cc2ccc(N)cc2C1 ZINC000042866722 177085265 /nfs/dbraw/zinc/08/52/65/177085265.db2.gz YDNWIMVEYXCALL-STQMWFEESA-N 1 0 244.382 3.411 10 0 BGAERO Cc1cccc(OCC[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000042895625 179167810 /nfs/dbraw/zinc/16/78/10/179167810.db2.gz CGYCVQCBRYLZRW-SQWLQELKSA-N 1 0 245.366 3.152 10 0 BGAERO Cc1cccc(OCC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000042895628 179168373 /nfs/dbraw/zinc/16/83/73/179168373.db2.gz CGYCVQCBRYLZRW-LZWOXQAQSA-N 1 0 245.366 3.152 10 0 BGAERO CC1CCC(O[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000042899791 168168236 /nfs/dbraw/zinc/16/82/36/168168236.db2.gz YQXQCMSSVINTSL-ZALBZXLWSA-N 1 0 233.355 3.282 10 0 BGAERO CC1CCC(O[C@H](C[NH3+])c2ccccc2)CC1 ZINC000042899794 168168555 /nfs/dbraw/zinc/16/85/55/168168555.db2.gz YQXQCMSSVINTSL-PESDSKBTSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccccc1 ZINC000042899827 176082292 /nfs/dbraw/zinc/08/22/92/176082292.db2.gz VLMOSXCNHWNCPI-SNPRPXQTSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@H]1CCCC[C@@H]1O[C@@H](C[NH3+])c1ccccc1 ZINC000042899830 177084417 /nfs/dbraw/zinc/08/44/17/177084417.db2.gz VLMOSXCNHWNCPI-QEJZJMRPSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccccc1 ZINC000042899833 176090595 /nfs/dbraw/zinc/09/05/95/176090595.db2.gz VLMOSXCNHWNCPI-YUELXQCFSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@H]1CCCC[C@H]1O[C@@H](C[NH3+])c1ccccc1 ZINC000042899835 177090607 /nfs/dbraw/zinc/09/06/07/177090607.db2.gz VLMOSXCNHWNCPI-CFVMTHIKSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@H](O[C@@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000042899905 177021702 /nfs/dbraw/zinc/02/17/02/177021702.db2.gz LODLURHNRQJDDN-BBRMVZONSA-N 1 0 241.334 3.464 10 0 BGAERO C[C@@H](O[C@@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000042899908 176003181 /nfs/dbraw/zinc/00/31/81/176003181.db2.gz LODLURHNRQJDDN-CJNGLKHVSA-N 1 0 241.334 3.464 10 0 BGAERO C[C@H](O[C@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000042899911 177021734 /nfs/dbraw/zinc/02/17/34/177021734.db2.gz LODLURHNRQJDDN-XJKSGUPXSA-N 1 0 241.334 3.464 10 0 BGAERO C[C@@H](O[C@H](C[NH3+])c1ccccc1)c1ccccc1 ZINC000042899914 176003856 /nfs/dbraw/zinc/00/38/56/176003856.db2.gz LODLURHNRQJDDN-CZUORRHYSA-N 1 0 241.334 3.464 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@@H](C[NH3+])c2ccccc2)C1 ZINC000042900042 176146171 /nfs/dbraw/zinc/14/61/71/176146171.db2.gz OGNGPCTUXCELBM-SNPRPXQTSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@H]1CCC[C@H](O[C@@H](C[NH3+])c2ccccc2)C1 ZINC000042900045 177137800 /nfs/dbraw/zinc/13/78/00/177137800.db2.gz OGNGPCTUXCELBM-QEJZJMRPSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@@H]1CCC[C@@H](O[C@@H](C[NH3+])c2ccccc2)C1 ZINC000042900048 176125197 /nfs/dbraw/zinc/12/51/97/176125197.db2.gz OGNGPCTUXCELBM-YUELXQCFSA-N 1 0 233.355 3.282 10 0 BGAERO C[C@H]1CCC[C@@H](O[C@@H](C[NH3+])c2ccccc2)C1 ZINC000042900051 177123555 /nfs/dbraw/zinc/12/35/55/177123555.db2.gz OGNGPCTUXCELBM-CFVMTHIKSA-N 1 0 233.355 3.282 10 0 BGAERO CCC[NH+](CCC)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042900704 169150635 /nfs/dbraw/zinc/15/06/35/169150635.db2.gz HWRWOERNLQTHDB-UKRRQHHQSA-N 1 0 234.387 3.197 10 0 BGAERO CCC[NH+](CCC)[C@H](c1ccccc1)[C@@H](C)N ZINC000042900706 169152747 /nfs/dbraw/zinc/15/27/47/169152747.db2.gz HWRWOERNLQTHDB-HIFRSBDPSA-N 1 0 234.387 3.197 10 0 BGAERO CCC[NH+](CCC)[C@@H](c1ccccc1)[C@H](C)N ZINC000042900709 169150152 /nfs/dbraw/zinc/15/01/52/169150152.db2.gz HWRWOERNLQTHDB-DZGCQCFKSA-N 1 0 234.387 3.197 10 0 BGAERO CCC[NH+](CCC)[C@H](c1ccccc1)[C@H](C)N ZINC000042900712 169152269 /nfs/dbraw/zinc/15/22/69/169152269.db2.gz HWRWOERNLQTHDB-ZFWWWQNUSA-N 1 0 234.387 3.197 10 0 BGAERO C[C@@H](N)[C@H](c1ccccc1)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000042900809 177315365 /nfs/dbraw/zinc/31/53/65/177315365.db2.gz BTAKGZIXVKIFMC-HLPPOEQASA-N 1 0 246.398 3.053 10 0 BGAERO C[C@H](N)[C@@H](c1ccccc1)[NH+]1CCCCCCC1 ZINC000042900982 176766019 /nfs/dbraw/zinc/76/60/19/176766019.db2.gz WFAALFMEZAJVLN-HOCLYGCPSA-N 1 0 246.398 3.341 10 0 BGAERO C[C@@H](N)[C@@H](c1ccccc1)[NH+]1CCCCCCC1 ZINC000042900984 175810026 /nfs/dbraw/zinc/81/00/26/175810026.db2.gz WFAALFMEZAJVLN-ZBFHGGJFSA-N 1 0 246.398 3.341 10 0 BGAERO CCC[N@H+](C(C)C)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901107 169049190 /nfs/dbraw/zinc/04/91/90/169049190.db2.gz NLLHQMOHDWTSMS-UKRRQHHQSA-N 1 0 234.387 3.195 10 0 BGAERO CCC[N@H+](C(C)C)[C@H](c1ccccc1)[C@@H](C)N ZINC000042901110 169048740 /nfs/dbraw/zinc/04/87/40/169048740.db2.gz NLLHQMOHDWTSMS-HIFRSBDPSA-N 1 0 234.387 3.195 10 0 BGAERO CC[C@H](C)[N@H+](CC)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901146 171312684 /nfs/dbraw/zinc/31/26/84/171312684.db2.gz XOLGAGLUNJBLRN-GZBFAFLISA-N 1 0 234.387 3.195 10 0 BGAERO CC[C@H](C)C[N@H+](C)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901158 171274237 /nfs/dbraw/zinc/27/42/37/171274237.db2.gz XLALFRCIEKSNEG-GZBFAFLISA-N 1 0 234.387 3.053 10 0 BGAERO CC(C)[C@H](C)[N@H+](C)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901327 188122211 /nfs/dbraw/zinc/12/22/11/188122211.db2.gz BDAADXDJTKDFGV-VNHYZAJKSA-N 1 0 234.387 3.051 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901330 168369509 /nfs/dbraw/zinc/36/95/09/168369509.db2.gz AXZYJSZDTLUDCN-IUODEOHRSA-N 1 0 234.387 3.195 10 0 BGAERO CCC(CC)[N@H+](C)[C@H](c1ccccc1)[C@@H](C)N ZINC000042901333 168369238 /nfs/dbraw/zinc/36/92/38/168369238.db2.gz AXZYJSZDTLUDCN-DOMZBBRYSA-N 1 0 234.387 3.195 10 0 BGAERO CCC[N@H+](CC1CC1)[C@@H](c1ccccc1)[C@@H](C)N ZINC000042901588 169138648 /nfs/dbraw/zinc/13/86/48/169138648.db2.gz BQHKXMVQDXAIHZ-CZUORRHYSA-N 1 0 246.398 3.197 10 0 BGAERO CCC[N@H+](CC1CC1)[C@H](c1ccccc1)[C@@H](C)N ZINC000042901591 169138138 /nfs/dbraw/zinc/13/81/38/169138138.db2.gz BQHKXMVQDXAIHZ-CJNGLKHVSA-N 1 0 246.398 3.197 10 0 BGAERO C[C@H]([NH3+])[C@@H](OCc1ccccc1)c1ccccc1 ZINC000042902934 176765403 /nfs/dbraw/zinc/76/54/03/176765403.db2.gz MPRLZANZNFLPCY-XJKSGUPXSA-N 1 0 241.334 3.292 10 0 BGAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1F)c1ccccc1 ZINC000042903175 176765183 /nfs/dbraw/zinc/76/51/83/176765183.db2.gz CZWHAMGXDPJZRS-XHDPSFHLSA-N 1 0 245.297 3.293 10 0 BGAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1F)c1ccccc1 ZINC000042903178 175809795 /nfs/dbraw/zinc/80/97/95/175809795.db2.gz CZWHAMGXDPJZRS-IAQYHMDHSA-N 1 0 245.297 3.293 10 0 BGAERO Cc1cccc(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042903246 179175203 /nfs/dbraw/zinc/17/52/03/179175203.db2.gz MDTITFRQNICQEU-CZUORRHYSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1cccc(O[C@H](c2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042903249 179175014 /nfs/dbraw/zinc/17/50/14/179175014.db2.gz MDTITFRQNICQEU-CJNGLKHVSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1cccc(O[C@@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000042903252 179174820 /nfs/dbraw/zinc/17/48/20/179174820.db2.gz MDTITFRQNICQEU-XJKSGUPXSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1cccc(O[C@H](c2ccccc2)[C@H](C)[NH3+])c1 ZINC000042903255 179175282 /nfs/dbraw/zinc/17/52/82/179175282.db2.gz MDTITFRQNICQEU-BBRMVZONSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1O[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042903258 179313127 /nfs/dbraw/zinc/31/31/27/179313127.db2.gz AIBUHDYHCZJAAV-CZUORRHYSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1O[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042903261 179314269 /nfs/dbraw/zinc/31/42/69/179314269.db2.gz AIBUHDYHCZJAAV-CJNGLKHVSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1O[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042903264 179312871 /nfs/dbraw/zinc/31/28/71/179312871.db2.gz AIBUHDYHCZJAAV-XJKSGUPXSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1O[C@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042903266 179313792 /nfs/dbraw/zinc/31/37/92/179313792.db2.gz AIBUHDYHCZJAAV-BBRMVZONSA-N 1 0 241.334 3.462 10 0 BGAERO C[C@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1ccccc1 ZINC000042903269 176771694 /nfs/dbraw/zinc/77/16/94/176771694.db2.gz ZMSVYDBDZUQZIM-NHYWBVRUSA-N 1 0 245.297 3.293 10 0 BGAERO C[C@@H]([NH3+])[C@H](Oc1ccc(F)cc1)c1ccccc1 ZINC000042903272 175812272 /nfs/dbraw/zinc/81/22/72/175812272.db2.gz ZMSVYDBDZUQZIM-ABAIWWIYSA-N 1 0 245.297 3.293 10 0 BGAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1)c1ccccc1 ZINC000042903283 175812617 /nfs/dbraw/zinc/81/26/17/175812617.db2.gz UQZGZNWMSLIWRZ-DOMZBBRYSA-N 1 0 227.307 3.154 10 0 BGAERO C[C@H]([NH3+])[C@@H](Oc1ccccc1)c1ccccc1 ZINC000042903286 176765164 /nfs/dbraw/zinc/76/51/64/176765164.db2.gz UQZGZNWMSLIWRZ-SWLSCSKDSA-N 1 0 227.307 3.154 10 0 BGAERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1)c1ccccc1 ZINC000042903349 175812675 /nfs/dbraw/zinc/81/26/75/175812675.db2.gz LGFLTGRXIOHPGG-ABAIWWIYSA-N 1 0 245.297 3.293 10 0 BGAERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1)c1ccccc1 ZINC000042903351 176765226 /nfs/dbraw/zinc/76/52/26/176765226.db2.gz LGFLTGRXIOHPGG-XHDPSFHLSA-N 1 0 245.297 3.293 10 0 BGAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1)c1ccccc1 ZINC000042903354 175809515 /nfs/dbraw/zinc/80/95/15/175809515.db2.gz LGFLTGRXIOHPGG-IAQYHMDHSA-N 1 0 245.297 3.293 10 0 BGAERO Cc1ccc(O[C@@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042903450 178817331 /nfs/dbraw/zinc/81/73/31/178817331.db2.gz JLROBQAHKUIOFO-CZUORRHYSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccc(O[C@H](c2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000042903453 178818814 /nfs/dbraw/zinc/81/88/14/178818814.db2.gz JLROBQAHKUIOFO-CJNGLKHVSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccc(O[C@H](c2ccccc2)[C@H](C)[NH3+])cc1 ZINC000042903459 178819115 /nfs/dbraw/zinc/81/91/15/178819115.db2.gz JLROBQAHKUIOFO-BBRMVZONSA-N 1 0 241.334 3.462 10 0 BGAERO C[C@@H]([NH3+])[C@H](OCc1cccs1)c1ccccc1 ZINC000042904349 175812754 /nfs/dbraw/zinc/81/27/54/175812754.db2.gz XZLUZVRMDPUIAF-RISCZKNCSA-N 1 0 247.363 3.353 10 0 BGAERO CC(C)S[C@@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042904993 167336019 /nfs/dbraw/zinc/33/60/19/167336019.db2.gz WRYDFEXSZOYZGU-ZYHUDNBSSA-N 1 0 209.358 3.217 10 0 BGAERO CC(C)S[C@H](c1ccccc1)[C@@H](C)[NH3+] ZINC000042904996 167335033 /nfs/dbraw/zinc/33/50/33/167335033.db2.gz WRYDFEXSZOYZGU-PWSUYJOCSA-N 1 0 209.358 3.217 10 0 BGAERO CC(C)S[C@@H](c1ccccc1)[C@H](C)[NH3+] ZINC000042904999 167335667 /nfs/dbraw/zinc/33/56/67/167335667.db2.gz WRYDFEXSZOYZGU-CMPLNLGQSA-N 1 0 209.358 3.217 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])OC2CCCCC2)cc1 ZINC000042906821 178855469 /nfs/dbraw/zinc/85/54/69/178855469.db2.gz JRZLKKLBWJLKCN-OAHLLOKOSA-N 1 0 233.355 3.344 10 0 BGAERO Cc1ccc([C@H](C[NH3+])O[C@@H](C)CC(C)C)cc1 ZINC000042907054 178904236 /nfs/dbraw/zinc/90/42/36/178904236.db2.gz KQDHYCWNTJLICW-ZFWWWQNUSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1ccc([C@H](C[NH3+])SC(C)C)cc1 ZINC000042907673 178903269 /nfs/dbraw/zinc/90/32/69/178903269.db2.gz YIPKRFBYAYDXBK-LBPRGKRZSA-N 1 0 209.358 3.136 10 0 BGAERO CCC[N@H+]([C@@H](c1ccc(C)cc1)[C@@H](C)N)C1CC1 ZINC000042908250 169090631 /nfs/dbraw/zinc/09/06/31/169090631.db2.gz WSIUJMORCNZZQG-CZUORRHYSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[N@H+]([C@H](c1ccc(C)cc1)[C@@H](C)N)C1CC1 ZINC000042908253 169091076 /nfs/dbraw/zinc/09/10/76/169091076.db2.gz WSIUJMORCNZZQG-CJNGLKHVSA-N 1 0 246.398 3.258 10 0 BGAERO CC[C@H](C)[N@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908275 171309609 /nfs/dbraw/zinc/30/96/09/171309609.db2.gz JQJFTFDTKAXPRW-GZBFAFLISA-N 1 0 234.387 3.114 10 0 BGAERO CC[C@H](C)C[N@H+](C)[C@@H](c1ccc(C)cc1)[C@@H](C)N ZINC000042908297 171274123 /nfs/dbraw/zinc/27/41/23/171274123.db2.gz RWRRSNAOYMLATP-JGGQBBKZSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccc([C@H]([C@@H](C)N)[N@@H+](C)[C@@H](C)C(C)C)cc1 ZINC000042908486 178917860 /nfs/dbraw/zinc/91/78/60/178917860.db2.gz KFIGWAOSCQTNIV-YCPHGPKFSA-N 1 0 248.414 3.360 10 0 BGAERO Cc1ccc([C@H](OC2CCCC2)[C@H](C)[NH3+])cc1 ZINC000042910319 178916578 /nfs/dbraw/zinc/91/65/78/178916578.db2.gz SNCQBPCEAOJFAX-SWLSCSKDSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1ccc([C@@H](OCc2ccco2)[C@@H](C)[NH3+])cc1 ZINC000042910362 178868822 /nfs/dbraw/zinc/86/88/22/178868822.db2.gz AGOFKZQXTCADPY-DOMZBBRYSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1ccc([C@H](OCc2ccco2)[C@H](C)[NH3+])cc1 ZINC000042910366 178916194 /nfs/dbraw/zinc/91/61/94/178916194.db2.gz AGOFKZQXTCADPY-SWLSCSKDSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1ccc([C@@H](OCCC(C)C)[C@H](C)[NH3+])cc1 ZINC000042910981 178868944 /nfs/dbraw/zinc/86/89/44/178868944.db2.gz LKLXDDNSKQIEBQ-ZFWWWQNUSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1ccc([C@H](OC(C)(C)C)[C@@H](C)[NH3+])cc1 ZINC000042911371 178916594 /nfs/dbraw/zinc/91/65/94/178916594.db2.gz ZDOVWYXIHLYPRT-DGCLKSJQSA-N 1 0 221.344 3.198 10 0 BGAERO Cc1ccc([C@H](OC(C)(C)C)[C@H](C)[NH3+])cc1 ZINC000042911378 178916765 /nfs/dbraw/zinc/91/67/65/178916765.db2.gz ZDOVWYXIHLYPRT-WCQYABFASA-N 1 0 221.344 3.198 10 0 BGAERO CCC[N@H+](C)[C@@H](c1ccc(C)cc1)[C@H](N)CC ZINC000042913721 169085656 /nfs/dbraw/zinc/08/56/56/169085656.db2.gz QZCNDBVHPBMNLD-CABCVRRESA-N 1 0 234.387 3.115 10 0 BGAERO CCC[N@H+](C)[C@H](c1ccc(C)cc1)[C@H](N)CC ZINC000042913723 169087646 /nfs/dbraw/zinc/08/76/46/169087646.db2.gz QZCNDBVHPBMNLD-HUUCEWRRSA-N 1 0 234.387 3.115 10 0 BGAERO [NH3+]C[C@H](OCc1ccccc1)c1ccc(F)cc1 ZINC000042916051 181452377 /nfs/dbraw/zinc/45/23/77/181452377.db2.gz VYHXYAVDMRGNEP-HNNXBMFYSA-N 1 0 245.297 3.042 10 0 BGAERO [NH3+]C[C@@H](OCc1ccccc1)c1ccc(F)cc1 ZINC000042916052 181423292 /nfs/dbraw/zinc/42/32/92/181423292.db2.gz VYHXYAVDMRGNEP-OAHLLOKOSA-N 1 0 245.297 3.042 10 0 BGAERO C[C@@H]([NH3+])[C@@H](OCc1ccco1)c1ccc(F)cc1 ZINC000042916084 175809634 /nfs/dbraw/zinc/80/96/34/175809634.db2.gz KIWYQDRDXKMETK-QMTHXVAHSA-N 1 0 249.285 3.024 10 0 BGAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1)c1ccc(F)cc1 ZINC000042916314 175809687 /nfs/dbraw/zinc/80/96/87/175809687.db2.gz UNKGZEMNRGXMER-IAQYHMDHSA-N 1 0 245.297 3.293 10 0 BGAERO CC[C@H]([NH3+])[C@@H](OCC(C)C)c1ccc(C)cc1 ZINC000042916491 171487135 /nfs/dbraw/zinc/48/71/35/171487135.db2.gz LJYSBHBCLNZHQL-GJZGRUSLSA-N 1 0 235.371 3.446 10 0 BGAERO CC(C)C[C@H](C)O[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000042916632 188478288 /nfs/dbraw/zinc/47/82/88/188478288.db2.gz YGHJMDTZKIIRRS-FZMZJTMJSA-N 1 0 239.334 3.277 10 0 BGAERO CC[C@H]([NH3+])[C@H](OCC1CC1)c1ccc(C)cc1 ZINC000042916733 171488586 /nfs/dbraw/zinc/48/85/86/171488586.db2.gz AXZPTDBHWTUCMP-LSDHHAIUSA-N 1 0 233.355 3.200 10 0 BGAERO CC[C@@H]([NH3+])[C@H](OCC1CC1)c1ccc(C)cc1 ZINC000042916734 170869191 /nfs/dbraw/zinc/86/91/91/170869191.db2.gz AXZPTDBHWTUCMP-HUUCEWRRSA-N 1 0 233.355 3.200 10 0 BGAERO CC[C@@H]([NH3+])[C@H](OCC1CC1)c1ccc(F)cc1 ZINC000042916744 170869299 /nfs/dbraw/zinc/86/92/99/170869299.db2.gz UFCAPUHFJRRYSZ-ZIAGYGMSSA-N 1 0 237.318 3.031 10 0 BGAERO C[C@H]([NH3+])[C@@H](OC(C)(C)C)c1ccc(F)cc1 ZINC000042916827 176764957 /nfs/dbraw/zinc/76/49/57/176764957.db2.gz GUHXROONUXMVRQ-JOYOIKCWSA-N 1 0 225.307 3.029 10 0 BGAERO CCC(C)(C)O[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042916857 168303922 /nfs/dbraw/zinc/30/39/22/168303922.db2.gz BWGJDVRWSRWDJG-ZWNOBZJWSA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042916858 168304182 /nfs/dbraw/zinc/30/41/82/168304182.db2.gz BWGJDVRWSRWDJG-MFKMUULPSA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042916859 168303826 /nfs/dbraw/zinc/30/38/26/168303826.db2.gz BWGJDVRWSRWDJG-GXFFZTMASA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042916860 168304711 /nfs/dbraw/zinc/30/47/11/168304711.db2.gz BWGJDVRWSRWDJG-GWCFXTLKSA-N 1 0 239.334 3.419 10 0 BGAERO CCCCO[C@H](c1ccc(F)cc1)[C@@H]([NH3+])CC ZINC000042942467 168914407 /nfs/dbraw/zinc/91/44/07/168914407.db2.gz XUYGXSGJDBGQON-UONOGXRCSA-N 1 0 239.334 3.421 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1ccc(F)cc1 ZINC000042942582 171355700 /nfs/dbraw/zinc/35/57/00/171355700.db2.gz QCQBWEHDOGEEIT-GDLCADMTSA-N 1 0 239.334 3.419 10 0 BGAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC)c1ccc(F)cc1 ZINC000042942586 171355256 /nfs/dbraw/zinc/35/52/56/171355256.db2.gz QCQBWEHDOGEEIT-ZLKJLUDKSA-N 1 0 239.334 3.419 10 0 BGAERO CC(C)S[C@@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042943926 167336015 /nfs/dbraw/zinc/33/60/15/167336015.db2.gz TVMJHXNFUJPUOO-BXKDBHETSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@H](c1ccc(F)cc1)[C@@H](C)[NH3+] ZINC000042943928 167336106 /nfs/dbraw/zinc/33/61/06/167336106.db2.gz TVMJHXNFUJPUOO-SKDRFNHKSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042943930 167335511 /nfs/dbraw/zinc/33/55/11/167335511.db2.gz TVMJHXNFUJPUOO-JOYOIKCWSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@H](c1ccc(F)cc1)[C@H](C)[NH3+] ZINC000042943931 167336352 /nfs/dbraw/zinc/33/63/52/167336352.db2.gz TVMJHXNFUJPUOO-CABZTGNLSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)O[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042948848 167280666 /nfs/dbraw/zinc/28/06/66/167280666.db2.gz BBDZVRVYHMBCCD-BXKDBHETSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042948851 167283442 /nfs/dbraw/zinc/28/34/42/167283442.db2.gz BBDZVRVYHMBCCD-SKDRFNHKSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042948854 167281664 /nfs/dbraw/zinc/28/16/64/167281664.db2.gz BBDZVRVYHMBCCD-JOYOIKCWSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042948857 167283339 /nfs/dbraw/zinc/28/33/39/167283339.db2.gz BBDZVRVYHMBCCD-CABZTGNLSA-N 1 0 227.735 3.153 10 0 BGAERO CCS[C@H](C[NH3+])c1ccc(Cl)cc1 ZINC000042950630 170651570 /nfs/dbraw/zinc/65/15/70/170651570.db2.gz FBWZGFSQBCYDJD-SNVBAGLBSA-N 1 0 215.749 3.093 10 0 BGAERO CS[C@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042951342 388446604 /nfs/dbraw/zinc/44/66/04/388446604.db2.gz GPAATKGLRRJKPH-XVKPBYJWSA-N 1 0 215.749 3.091 10 0 BGAERO CS[C@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042951345 388445791 /nfs/dbraw/zinc/44/57/91/388445791.db2.gz GPAATKGLRRJKPH-XCBNKYQSSA-N 1 0 215.749 3.091 10 0 BGAERO CS[C@@H](c1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000042951349 388446400 /nfs/dbraw/zinc/44/64/00/388446400.db2.gz GPAATKGLRRJKPH-OIBJUYFYSA-N 1 0 215.749 3.091 10 0 BGAERO CS[C@@H](c1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000042951353 388446657 /nfs/dbraw/zinc/44/66/57/388446657.db2.gz GPAATKGLRRJKPH-GMSGAONNSA-N 1 0 215.749 3.091 10 0 BGAERO COc1ccc([C@@H](C[NH3+])OC2CCCCC2)cc1 ZINC000042962452 175178397 /nfs/dbraw/zinc/17/83/97/175178397.db2.gz DDNZSPXWQVHPFA-OAHLLOKOSA-N 1 0 249.354 3.044 10 0 BGAERO COc1ccc([C@@H](OC2CCCC2)[C@H](C)[NH3+])cc1 ZINC000042962476 175181956 /nfs/dbraw/zinc/18/19/56/175181956.db2.gz SIZBORWWWHJICK-NHYWBVRUSA-N 1 0 249.354 3.043 10 0 BGAERO COc1ccc([C@@H](OC2CCCC2)[C@@H](C)[NH3+])cc1 ZINC000042962478 175182311 /nfs/dbraw/zinc/18/23/11/175182311.db2.gz SIZBORWWWHJICK-ABAIWWIYSA-N 1 0 249.354 3.043 10 0 BGAERO COc1ccc([C@H](OC2CCCC2)[C@H](C)[NH3+])cc1 ZINC000042962479 175194024 /nfs/dbraw/zinc/19/40/24/175194024.db2.gz SIZBORWWWHJICK-XHDPSFHLSA-N 1 0 249.354 3.043 10 0 BGAERO COc1ccc([C@H](OC2CCCC2)[C@@H](C)[NH3+])cc1 ZINC000042962481 175193816 /nfs/dbraw/zinc/19/38/16/175193816.db2.gz SIZBORWWWHJICK-IAQYHMDHSA-N 1 0 249.354 3.043 10 0 BGAERO Cc1cccc([C@@H]([C@@H](C)N)[NH+]2CCC(C)CC2)c1 ZINC000042965319 179188894 /nfs/dbraw/zinc/18/88/94/179188894.db2.gz HRRCHNUAESJRSJ-GDBMZVCRSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[NH+]2CCC(C)CC2)c1 ZINC000042965321 179204001 /nfs/dbraw/zinc/20/40/01/179204001.db2.gz HRRCHNUAESJRSJ-ZBFHGGJFSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1cccc([C@@H]([C@H](C)N)[NH+]2CCC(C)CC2)c1 ZINC000042965323 179188701 /nfs/dbraw/zinc/18/87/01/179188701.db2.gz HRRCHNUAESJRSJ-GOEBONIOSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[NH+]2CCC(C)CC2)c1 ZINC000042965325 179203075 /nfs/dbraw/zinc/20/30/75/179203075.db2.gz HRRCHNUAESJRSJ-HOCLYGCPSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1cccc([C@@H]([C@@H](C)N)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042965373 179188385 /nfs/dbraw/zinc/18/83/85/179188385.db2.gz YOLLJQMOJMXBGY-SQWLQELKSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042965375 179203847 /nfs/dbraw/zinc/20/38/47/179203847.db2.gz YOLLJQMOJMXBGY-LZWOXQAQSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@@H]([C@H](C)N)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042965377 179188500 /nfs/dbraw/zinc/18/85/00/179188500.db2.gz YOLLJQMOJMXBGY-OFQRWUPVSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000042965378 179203325 /nfs/dbraw/zinc/20/33/25/179203325.db2.gz YOLLJQMOJMXBGY-DZKIICNBSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000042965414 179204019 /nfs/dbraw/zinc/20/40/19/179204019.db2.gz GQVABXPMWQDVLT-LZWOXQAQSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000042965418 179203876 /nfs/dbraw/zinc/20/38/76/179203876.db2.gz GQVABXPMWQDVLT-DZKIICNBSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1cccc([C@@H]([C@@H](C)N)[NH+]2CCCCCC2)c1 ZINC000042965427 179188626 /nfs/dbraw/zinc/18/86/26/179188626.db2.gz BRDBGGQRIIUXRA-GDBMZVCRSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[NH+]2CCCCCC2)c1 ZINC000042965429 179203898 /nfs/dbraw/zinc/20/38/98/179203898.db2.gz BRDBGGQRIIUXRA-ZBFHGGJFSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1cccc([C@@H]([C@H](C)N)[NH+]2CCCCCC2)c1 ZINC000042965431 179188992 /nfs/dbraw/zinc/18/89/92/179188992.db2.gz BRDBGGQRIIUXRA-GOEBONIOSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[NH+]2CCCCCC2)c1 ZINC000042965432 179203281 /nfs/dbraw/zinc/20/32/81/179203281.db2.gz BRDBGGQRIIUXRA-HOCLYGCPSA-N 1 0 246.398 3.259 10 0 BGAERO CC[C@@H](N)[C@H](c1cccc(C)c1)[N@H+](C)C(C)C ZINC000042965486 170868675 /nfs/dbraw/zinc/86/86/75/170868675.db2.gz ODOTVPHMJOJUMQ-CABCVRRESA-N 1 0 234.387 3.114 10 0 BGAERO NC(=[NH2+])c1ccc2cc(-c3ccccc3)[nH]c2c1 ZINC000042965647 181194983 /nfs/dbraw/zinc/19/49/83/181194983.db2.gz DFVQESDQJCIAKQ-UHFFFAOYSA-N 1 0 235.290 3.119 10 0 BGAERO Cc1cccc([C@@H]([C@@H](C)N)[N@H+](C)C2CCCC2)c1 ZINC000042965956 179187854 /nfs/dbraw/zinc/18/78/54/179187854.db2.gz HDARTOLWGROMGO-CZUORRHYSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[N@H+](C)C2CCCC2)c1 ZINC000042965958 179203983 /nfs/dbraw/zinc/20/39/83/179203983.db2.gz HDARTOLWGROMGO-CJNGLKHVSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@@H]([C@H](C)N)[N@H+](C)C2CCCC2)c1 ZINC000042965960 179187735 /nfs/dbraw/zinc/18/77/35/179187735.db2.gz HDARTOLWGROMGO-XJKSGUPXSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[N@H+](C)C2CCCC2)c1 ZINC000042965962 179203502 /nfs/dbraw/zinc/20/35/02/179203502.db2.gz HDARTOLWGROMGO-BBRMVZONSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[N@H+]([C@@H](c1cccc(C)c1)[C@@H](C)N)C1CC1 ZINC000042965982 169090044 /nfs/dbraw/zinc/09/00/44/169090044.db2.gz DIIPRQXTLAQGIT-CZUORRHYSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[N@H+]([C@H](c1cccc(C)c1)[C@@H](C)N)C1CC1 ZINC000042965984 169091307 /nfs/dbraw/zinc/09/13/07/169091307.db2.gz DIIPRQXTLAQGIT-CJNGLKHVSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[N@H+](C)[C@@H](c1cccc(C)c1)[C@H](N)CC ZINC000042965993 169086980 /nfs/dbraw/zinc/08/69/80/169086980.db2.gz IXEDPPJSKFORBT-CABCVRRESA-N 1 0 234.387 3.115 10 0 BGAERO CCC[N@H+](C)[C@H](c1cccc(C)c1)[C@H](N)CC ZINC000042965994 169088353 /nfs/dbraw/zinc/08/83/53/169088353.db2.gz IXEDPPJSKFORBT-HUUCEWRRSA-N 1 0 234.387 3.115 10 0 BGAERO CC[C@H](C)[N@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966010 171309114 /nfs/dbraw/zinc/30/91/14/171309114.db2.gz LLZQMIMIAJOHFO-GZBFAFLISA-N 1 0 234.387 3.114 10 0 BGAERO CC[C@H](C)C[N@H+](C)[C@@H](c1cccc(C)c1)[C@@H](C)N ZINC000042966041 171274883 /nfs/dbraw/zinc/27/48/83/171274883.db2.gz OYZDDKXPNOULEU-JGGQBBKZSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@@H]([C@@H](C)N)[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966281 179188636 /nfs/dbraw/zinc/18/86/36/179188636.db2.gz AOJQLLKRDQQWBV-DVOMOZLQSA-N 1 0 246.398 3.114 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966283 179203451 /nfs/dbraw/zinc/20/34/51/179203451.db2.gz AOJQLLKRDQQWBV-WWGRRREGSA-N 1 0 246.398 3.114 10 0 BGAERO Cc1cccc([C@@H]([C@H](C)N)[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966285 179189113 /nfs/dbraw/zinc/18/91/13/179189113.db2.gz AOJQLLKRDQQWBV-HEHGZKQESA-N 1 0 246.398 3.114 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[N@H+](C)[C@@H](C)C2CC2)c1 ZINC000042966287 179203063 /nfs/dbraw/zinc/20/30/63/179203063.db2.gz AOJQLLKRDQQWBV-XEZPLFJOSA-N 1 0 246.398 3.114 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000042966298 179203993 /nfs/dbraw/zinc/20/39/93/179203993.db2.gz OLYOJPPUSFBDER-YCPHGPKFSA-N 1 0 248.414 3.360 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000042966302 179203958 /nfs/dbraw/zinc/20/39/58/179203958.db2.gz OLYOJPPUSFBDER-DZKIICNBSA-N 1 0 248.414 3.360 10 0 BGAERO Cc1cccc([C@@H]([C@@H](C)N)[N@@H+](C)CCC(C)C)c1 ZINC000042966981 179188024 /nfs/dbraw/zinc/18/80/24/179188024.db2.gz MQERGBYQNBTKEC-GDBMZVCRSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[N@@H+](C)CCC(C)C)c1 ZINC000042966982 179203171 /nfs/dbraw/zinc/20/31/71/179203171.db2.gz MQERGBYQNBTKEC-ZBFHGGJFSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@@H]([C@H](C)N)[N@@H+](C)CCC(C)C)c1 ZINC000042966984 179187652 /nfs/dbraw/zinc/18/76/52/179187652.db2.gz MQERGBYQNBTKEC-GOEBONIOSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[N@@H+](C)CCC(C)C)c1 ZINC000042966986 179203635 /nfs/dbraw/zinc/20/36/35/179203635.db2.gz MQERGBYQNBTKEC-HOCLYGCPSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])OC2CCCCC2)c1 ZINC000042967879 179185512 /nfs/dbraw/zinc/18/55/12/179185512.db2.gz OGEAYVVXSJUYFD-OAHLLOKOSA-N 1 0 233.355 3.344 10 0 BGAERO Cc1cccc([C@H](C[NH3+])OC2CCCCC2)c1 ZINC000042967880 179198435 /nfs/dbraw/zinc/19/84/35/179198435.db2.gz OGEAYVVXSJUYFD-HNNXBMFYSA-N 1 0 233.355 3.344 10 0 BGAERO Cc1cccc([C@H](OC2CCCC2)[C@@H](C)[NH3+])c1 ZINC000042967891 179204029 /nfs/dbraw/zinc/20/40/29/179204029.db2.gz QUVBIUIZSYSAHA-IUODEOHRSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1cccc([C@@H](OC2CCCC2)[C@@H](C)[NH3+])c1 ZINC000042967892 179188907 /nfs/dbraw/zinc/18/89/07/179188907.db2.gz QUVBIUIZSYSAHA-DOMZBBRYSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1cccc([C@H](OC2CCCC2)[C@H](C)[NH3+])c1 ZINC000042967893 179203140 /nfs/dbraw/zinc/20/31/40/179203140.db2.gz QUVBIUIZSYSAHA-SWLSCSKDSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1cccc([C@@H](OC2CCCC2)[C@H](C)[NH3+])c1 ZINC000042967894 179188201 /nfs/dbraw/zinc/18/82/01/179188201.db2.gz QUVBIUIZSYSAHA-WFASDCNBSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])OCc2ccccc2)c1 ZINC000042967899 179184921 /nfs/dbraw/zinc/18/49/21/179184921.db2.gz NLERAZPEBMDEDX-MRXNPFEDSA-N 1 0 241.334 3.212 10 0 BGAERO Cc1cccc([C@H](C[NH3+])OCc2ccccc2)c1 ZINC000042967900 179198330 /nfs/dbraw/zinc/19/83/30/179198330.db2.gz NLERAZPEBMDEDX-INIZCTEOSA-N 1 0 241.334 3.212 10 0 BGAERO Cc1cccc([C@H](OCc2ccco2)[C@@H](C)[NH3+])c1 ZINC000042967921 179204119 /nfs/dbraw/zinc/20/41/19/179204119.db2.gz COXGGAUYRHINRD-IUODEOHRSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1cccc([C@@H](OCc2ccco2)[C@@H](C)[NH3+])c1 ZINC000042967922 179187716 /nfs/dbraw/zinc/18/77/16/179187716.db2.gz COXGGAUYRHINRD-DOMZBBRYSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1cccc([C@H](OCc2ccco2)[C@H](C)[NH3+])c1 ZINC000042967923 179203896 /nfs/dbraw/zinc/20/38/96/179203896.db2.gz COXGGAUYRHINRD-SWLSCSKDSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1cccc([C@@H](OCc2ccco2)[C@H](C)[NH3+])c1 ZINC000042967924 179188397 /nfs/dbraw/zinc/18/83/97/179188397.db2.gz COXGGAUYRHINRD-WFASDCNBSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Oc2ccccc2F)c1 ZINC000042968035 179185017 /nfs/dbraw/zinc/18/50/17/179185017.db2.gz MPWYGGVIKIJBEW-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Oc2ccccc2F)c1 ZINC000042968036 179199072 /nfs/dbraw/zinc/19/90/72/179199072.db2.gz MPWYGGVIKIJBEW-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc(O[C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000042968090 179174258 /nfs/dbraw/zinc/17/42/58/179174258.db2.gz VJBZYVWRVTYHOG-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2cccc(C)c2)c1 ZINC000042968091 179174540 /nfs/dbraw/zinc/17/45/40/179174540.db2.gz VJBZYVWRVTYHOG-INIZCTEOSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Oc2ccccc2C)c1 ZINC000042968100 179185640 /nfs/dbraw/zinc/18/56/40/179185640.db2.gz SRKUZBCBPIWGPM-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Oc2ccccc2C)c1 ZINC000042968101 179199188 /nfs/dbraw/zinc/19/91/88/179199188.db2.gz SRKUZBCBPIWGPM-INIZCTEOSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Oc2ccc(F)cc2)c1 ZINC000042968110 179184548 /nfs/dbraw/zinc/18/45/48/179184548.db2.gz FCKQYYMTFKQDQQ-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Oc2ccc(F)cc2)c1 ZINC000042968111 179199069 /nfs/dbraw/zinc/19/90/69/179199069.db2.gz FCKQYYMTFKQDQQ-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Oc2ccccc2)c1 ZINC000042968120 179185619 /nfs/dbraw/zinc/18/56/19/179185619.db2.gz ZYPJTEIJSZMPJD-OAHLLOKOSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Oc2ccccc2)c1 ZINC000042968121 179199395 /nfs/dbraw/zinc/19/93/95/179199395.db2.gz ZYPJTEIJSZMPJD-HNNXBMFYSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1cccc([C@H](Oc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042968122 179203520 /nfs/dbraw/zinc/20/35/20/179203520.db2.gz NVCJVLPWHDXNLM-CZUORRHYSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1cccc([C@@H](Oc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000042968123 179188978 /nfs/dbraw/zinc/18/89/78/179188978.db2.gz NVCJVLPWHDXNLM-CJNGLKHVSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1cccc([C@H](Oc2ccccc2)[C@H](C)[NH3+])c1 ZINC000042968124 179203614 /nfs/dbraw/zinc/20/36/14/179203614.db2.gz NVCJVLPWHDXNLM-XJKSGUPXSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1cccc([C@@H](Oc2ccccc2)[C@H](C)[NH3+])c1 ZINC000042968125 179188763 /nfs/dbraw/zinc/18/87/63/179188763.db2.gz NVCJVLPWHDXNLM-BBRMVZONSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Oc2cccc(F)c2)c1 ZINC000042968181 179184532 /nfs/dbraw/zinc/18/45/32/179184532.db2.gz GLBFOQXBRWKTJN-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Oc2cccc(F)c2)c1 ZINC000042968183 179198540 /nfs/dbraw/zinc/19/85/40/179198540.db2.gz GLBFOQXBRWKTJN-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc([C@H](OCCC(C)C)[C@@H](C)[NH3+])c1 ZINC000042968370 179203298 /nfs/dbraw/zinc/20/32/98/179203298.db2.gz GWDFESPFEBFLQA-UKRRQHHQSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1cccc([C@@H](OCCC(C)C)[C@@H](C)[NH3+])c1 ZINC000042968372 179189048 /nfs/dbraw/zinc/18/90/48/179189048.db2.gz GWDFESPFEBFLQA-HIFRSBDPSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1cccc([C@H](OCCC(C)C)[C@H](C)[NH3+])c1 ZINC000042968374 179203207 /nfs/dbraw/zinc/20/32/07/179203207.db2.gz GWDFESPFEBFLQA-DZGCQCFKSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1cccc([C@@H](OCCC(C)C)[C@H](C)[NH3+])c1 ZINC000042968376 179188333 /nfs/dbraw/zinc/18/83/33/179188333.db2.gz GWDFESPFEBFLQA-ZFWWWQNUSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])O[C@@H](C)CC(C)C)c1 ZINC000042968601 179185631 /nfs/dbraw/zinc/18/56/31/179185631.db2.gz SIXOPVVYJDFJAH-DZGCQCFKSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1cccc([C@H](C[NH3+])O[C@@H](C)CC(C)C)c1 ZINC000042968603 179198821 /nfs/dbraw/zinc/19/88/21/179198821.db2.gz SIXOPVVYJDFJAH-ZFWWWQNUSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])O[C@H](C)CC(C)C)c1 ZINC000042968605 179185586 /nfs/dbraw/zinc/18/55/86/179185586.db2.gz SIXOPVVYJDFJAH-UKRRQHHQSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1cccc([C@H](C[NH3+])O[C@H](C)CC(C)C)c1 ZINC000042968607 179198307 /nfs/dbraw/zinc/19/83/07/179198307.db2.gz SIXOPVVYJDFJAH-HIFRSBDPSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1cccc([C@H](OC(C)(C)C)[C@@H](C)[NH3+])c1 ZINC000042968916 179204085 /nfs/dbraw/zinc/20/40/85/179204085.db2.gz UMVHUJVHUFUCOF-DGCLKSJQSA-N 1 0 221.344 3.198 10 0 BGAERO Cc1cccc([C@@H](OC(C)(C)C)[C@@H](C)[NH3+])c1 ZINC000042968918 179189015 /nfs/dbraw/zinc/18/90/15/179189015.db2.gz UMVHUJVHUFUCOF-YPMHNXCESA-N 1 0 221.344 3.198 10 0 BGAERO Cc1cccc([C@H](OC(C)(C)C)[C@H](C)[NH3+])c1 ZINC000042968920 179203692 /nfs/dbraw/zinc/20/36/92/179203692.db2.gz UMVHUJVHUFUCOF-WCQYABFASA-N 1 0 221.344 3.198 10 0 BGAERO Cc1cccc([C@@H](OC(C)(C)C)[C@H](C)[NH3+])c1 ZINC000042968922 179187719 /nfs/dbraw/zinc/18/77/19/179187719.db2.gz UMVHUJVHUFUCOF-AAEUAGOBSA-N 1 0 221.344 3.198 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])OCCCC(C)C)c1 ZINC000042968932 179184499 /nfs/dbraw/zinc/18/44/99/179184499.db2.gz VDCQAXSOWYPIMI-OAHLLOKOSA-N 1 0 235.371 3.448 10 0 BGAERO Cc1cccc([C@H](C[NH3+])OCCCC(C)C)c1 ZINC000042968935 179199135 /nfs/dbraw/zinc/19/91/35/179199135.db2.gz VDCQAXSOWYPIMI-HNNXBMFYSA-N 1 0 235.371 3.448 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])OCc2cccs2)c1 ZINC000042969424 179185530 /nfs/dbraw/zinc/18/55/30/179185530.db2.gz UBUPVHQCVJZNEP-CQSZACIVSA-N 1 0 247.363 3.273 10 0 BGAERO Cc1cccc([C@H](C[NH3+])OCc2cccs2)c1 ZINC000042969426 179199196 /nfs/dbraw/zinc/19/91/96/179199196.db2.gz UBUPVHQCVJZNEP-AWEZNQCLSA-N 1 0 247.363 3.273 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Sc2ccccn2)c1 ZINC000042969756 179184501 /nfs/dbraw/zinc/18/45/01/179184501.db2.gz VVZMFMSEEJJBNM-CYBMUJFWSA-N 1 0 244.363 3.182 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Sc2ccccn2)c1 ZINC000042969758 179199195 /nfs/dbraw/zinc/19/91/95/179199195.db2.gz VVZMFMSEEJJBNM-ZDUSSCGKSA-N 1 0 244.363 3.182 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])SC(C)C)c1 ZINC000042970358 179184068 /nfs/dbraw/zinc/18/40/68/179184068.db2.gz RCNYRINXYUXDFI-GFCCVEGCSA-N 1 0 209.358 3.136 10 0 BGAERO Cc1cccc([C@H](C[NH3+])SC(C)C)c1 ZINC000042970360 179198999 /nfs/dbraw/zinc/19/89/99/179198999.db2.gz RCNYRINXYUXDFI-LBPRGKRZSA-N 1 0 209.358 3.136 10 0 BGAERO [NH3+]C[C@H](OC1CCCCC1)c1cccc(F)c1 ZINC000042973280 181452719 /nfs/dbraw/zinc/45/27/19/181452719.db2.gz UPPYQHMLZJZFIQ-AWEZNQCLSA-N 1 0 237.318 3.175 10 0 BGAERO C[C@@H]([NH3+])[C@H](OC1CCCC1)c1cccc(F)c1 ZINC000042973292 175812388 /nfs/dbraw/zinc/81/23/88/175812388.db2.gz SWMXLJGXSMTZOU-YGRLFVJLSA-N 1 0 237.318 3.173 10 0 BGAERO [NH3+]C[C@@H](OCc1ccccc1)c1cccc(F)c1 ZINC000042973300 181423794 /nfs/dbraw/zinc/42/37/94/181423794.db2.gz OYOZFPSMQNWXMG-OAHLLOKOSA-N 1 0 245.297 3.042 10 0 BGAERO C[C@@H]([NH3+])[C@H](OCc1ccco1)c1cccc(F)c1 ZINC000042973322 175812339 /nfs/dbraw/zinc/81/23/39/175812339.db2.gz QHFLKQAUUXWBAJ-YGRLFVJLSA-N 1 0 249.285 3.024 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2cccc(F)c2)c1 ZINC000042973523 179174839 /nfs/dbraw/zinc/17/48/39/179174839.db2.gz KRPVUKCCZGODCI-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1O[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042973533 179312430 /nfs/dbraw/zinc/31/24/30/179312430.db2.gz CIZJOXQPGMFYQD-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1O[C@H](C[NH3+])c1cccc(F)c1 ZINC000042973534 179314475 /nfs/dbraw/zinc/31/44/75/179314475.db2.gz CIZJOXQPGMFYQD-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1)c1cccc(F)c1 ZINC000042973556 175812630 /nfs/dbraw/zinc/81/26/30/175812630.db2.gz UZZMNWMCNCERKI-ABAIWWIYSA-N 1 0 245.297 3.293 10 0 BGAERO CC(C)CCO[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042973712 166881692 /nfs/dbraw/zinc/88/16/92/166881692.db2.gz PBGAJZNMHSOJIN-FZMZJTMJSA-N 1 0 239.334 3.277 10 0 BGAERO CC[C@H]([NH3+])[C@H](OCC(C)C)c1cccc(F)c1 ZINC000042973723 171488830 /nfs/dbraw/zinc/48/88/30/171488830.db2.gz AXPGTZXDTADMTH-UONOGXRCSA-N 1 0 239.334 3.277 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](OCC(C)C)c1cccc(F)c1 ZINC000042973726 170866936 /nfs/dbraw/zinc/86/69/36/170866936.db2.gz AXPGTZXDTADMTH-KGLIPLIRSA-N 1 0 239.334 3.277 10 0 BGAERO CC(C)C[C@@H](C)O[C@@H](C[NH3+])c1cccc(F)c1 ZINC000042973823 187267201 /nfs/dbraw/zinc/26/72/01/187267201.db2.gz KOVKZKFWZMPLAD-RISCZKNCSA-N 1 0 239.334 3.277 10 0 BGAERO CC[C@@H]([NH3+])[C@H](OCC1CC1)c1cccc(F)c1 ZINC000042973926 170869151 /nfs/dbraw/zinc/86/91/51/170869151.db2.gz FBWJEKXWIMNSOM-ZIAGYGMSSA-N 1 0 237.318 3.031 10 0 BGAERO CC[C@H]([NH3+])[C@@H](OCC1CC1)c1cccc(F)c1 ZINC000042973927 171488039 /nfs/dbraw/zinc/48/80/39/171488039.db2.gz FBWJEKXWIMNSOM-KBPBESRZSA-N 1 0 237.318 3.031 10 0 BGAERO C[C@H]([NH3+])[C@@H](OC(C)(C)C)c1cccc(F)c1 ZINC000042974005 176764647 /nfs/dbraw/zinc/76/46/47/176764647.db2.gz IBIXCFSTCWYNIZ-JOYOIKCWSA-N 1 0 225.307 3.029 10 0 BGAERO CCC(C)(C)O[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042974027 168304819 /nfs/dbraw/zinc/30/48/19/168304819.db2.gz ULDKSCUOYAVILY-ZWNOBZJWSA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042974028 168304280 /nfs/dbraw/zinc/30/42/80/168304280.db2.gz ULDKSCUOYAVILY-MFKMUULPSA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042974029 168303749 /nfs/dbraw/zinc/30/37/49/168303749.db2.gz ULDKSCUOYAVILY-GXFFZTMASA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042974030 168303795 /nfs/dbraw/zinc/30/37/95/168303795.db2.gz ULDKSCUOYAVILY-GWCFXTLKSA-N 1 0 239.334 3.419 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1cccc(F)c1 ZINC000042974210 171355059 /nfs/dbraw/zinc/35/50/59/171355059.db2.gz DHSDCAPBVOUIRW-GDLCADMTSA-N 1 0 239.334 3.419 10 0 BGAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC)c1cccc(F)c1 ZINC000042974212 171356551 /nfs/dbraw/zinc/35/65/51/171356551.db2.gz DHSDCAPBVOUIRW-ZLKJLUDKSA-N 1 0 239.334 3.419 10 0 BGAERO CC(C)S[C@@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042974777 167335011 /nfs/dbraw/zinc/33/50/11/167335011.db2.gz MIFSJFUILOYYDY-BXKDBHETSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@H](c1cccc(F)c1)[C@@H](C)[NH3+] ZINC000042974778 167335999 /nfs/dbraw/zinc/33/59/99/167335999.db2.gz MIFSJFUILOYYDY-SKDRFNHKSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042974779 167335848 /nfs/dbraw/zinc/33/58/48/167335848.db2.gz MIFSJFUILOYYDY-JOYOIKCWSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@H](c1cccc(F)c1)[C@H](C)[NH3+] ZINC000042974780 167335145 /nfs/dbraw/zinc/33/51/45/167335145.db2.gz MIFSJFUILOYYDY-CABZTGNLSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)O[C@@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043017986 167281975 /nfs/dbraw/zinc/28/19/75/167281975.db2.gz UJBYVLYHOGNASL-BXKDBHETSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@H](c1cccc(Cl)c1)[C@@H](C)[NH3+] ZINC000043017988 167282768 /nfs/dbraw/zinc/28/27/68/167282768.db2.gz UJBYVLYHOGNASL-SKDRFNHKSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043017991 167281269 /nfs/dbraw/zinc/28/12/69/167281269.db2.gz UJBYVLYHOGNASL-JOYOIKCWSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@H](c1cccc(Cl)c1)[C@H](C)[NH3+] ZINC000043017993 167283214 /nfs/dbraw/zinc/28/32/14/167283214.db2.gz UJBYVLYHOGNASL-CABZTGNLSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)(C)O[C@H](C[NH3+])c1cccc(Cl)c1 ZINC000043018362 188324913 /nfs/dbraw/zinc/32/49/13/188324913.db2.gz VEIZNUDPTMLXPE-LLVKDONJSA-N 1 0 227.735 3.155 10 0 BGAERO CCS[C@@H](C[NH3+])c1cccc(Cl)c1 ZINC000043019282 170648014 /nfs/dbraw/zinc/64/80/14/170648014.db2.gz TVWPVAZBYDODPT-JTQLQIEISA-N 1 0 215.749 3.093 10 0 BGAERO COc1cccc([C@@H](C[NH3+])OC2CCCCC2)c1 ZINC000043029029 175288058 /nfs/dbraw/zinc/28/80/58/175288058.db2.gz PVACUJKXMIMVCM-OAHLLOKOSA-N 1 0 249.354 3.044 10 0 BGAERO COc1cccc([C@H](C[NH3+])OC2CCCCC2)c1 ZINC000043029031 175294549 /nfs/dbraw/zinc/29/45/49/175294549.db2.gz PVACUJKXMIMVCM-HNNXBMFYSA-N 1 0 249.354 3.044 10 0 BGAERO COc1cccc([C@@H](OC2CCCC2)[C@H](C)[NH3+])c1 ZINC000043029060 175289686 /nfs/dbraw/zinc/28/96/86/175289686.db2.gz SJZCLSQGMOVUFJ-NHYWBVRUSA-N 1 0 249.354 3.043 10 0 BGAERO COc1cccc([C@@H](OC2CCCC2)[C@@H](C)[NH3+])c1 ZINC000043029063 175289874 /nfs/dbraw/zinc/28/98/74/175289874.db2.gz SJZCLSQGMOVUFJ-ABAIWWIYSA-N 1 0 249.354 3.043 10 0 BGAERO COc1cccc([C@H](OC2CCCC2)[C@H](C)[NH3+])c1 ZINC000043029066 175296026 /nfs/dbraw/zinc/29/60/26/175296026.db2.gz SJZCLSQGMOVUFJ-XHDPSFHLSA-N 1 0 249.354 3.043 10 0 BGAERO COc1cccc([C@H](OC2CCCC2)[C@@H](C)[NH3+])c1 ZINC000043029069 175295458 /nfs/dbraw/zinc/29/54/58/175295458.db2.gz SJZCLSQGMOVUFJ-IAQYHMDHSA-N 1 0 249.354 3.043 10 0 BGAERO Cc1ccccc1[C@@H]([C@@H](C)N)[NH+]1CCC(C)CC1 ZINC000043033230 179327420 /nfs/dbraw/zinc/32/74/20/179327420.db2.gz TXHOGZRDUGMUSX-GDBMZVCRSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1ccccc1[C@H]([C@@H](C)N)[NH+]1CCC(C)CC1 ZINC000043033234 179347106 /nfs/dbraw/zinc/34/71/06/179347106.db2.gz TXHOGZRDUGMUSX-ZBFHGGJFSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1ccccc1[C@@H]([C@H](C)N)[NH+]1CCC(C)CC1 ZINC000043033236 179328331 /nfs/dbraw/zinc/32/83/31/179328331.db2.gz TXHOGZRDUGMUSX-GOEBONIOSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1ccccc1[C@H]([C@H](C)N)[NH+]1CCC(C)CC1 ZINC000043033239 179346516 /nfs/dbraw/zinc/34/65/16/179346516.db2.gz TXHOGZRDUGMUSX-HOCLYGCPSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1ccccc1[C@@H]([C@@H](C)N)[N@@H+]1CCCC[C@@H]1C ZINC000043033326 179328303 /nfs/dbraw/zinc/32/83/03/179328303.db2.gz AEAWRESMEFTBBI-SQWLQELKSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@H]([C@@H](C)N)[N@@H+]1CCCC[C@@H]1C ZINC000043033330 179347805 /nfs/dbraw/zinc/34/78/05/179347805.db2.gz AEAWRESMEFTBBI-LZWOXQAQSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@@H]([C@H](C)N)[N@@H+]1CCCC[C@@H]1C ZINC000043033333 179328471 /nfs/dbraw/zinc/32/84/71/179328471.db2.gz AEAWRESMEFTBBI-OFQRWUPVSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@H]([C@H](C)N)[N@@H+]1CCCC[C@@H]1C ZINC000043033336 179347328 /nfs/dbraw/zinc/34/73/28/179347328.db2.gz AEAWRESMEFTBBI-DZKIICNBSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@H]([C@@H](C)N)[N@@H+]1CCC[C@H](C)C1 ZINC000043033408 179347767 /nfs/dbraw/zinc/34/77/67/179347767.db2.gz WVLKBRBIIHEVIV-BJJXKVORSA-N 1 0 246.398 3.115 10 0 BGAERO Cc1ccccc1[C@H]([C@H](C)N)[N@@H+]1CCC[C@H](C)C1 ZINC000043033414 179346912 /nfs/dbraw/zinc/34/69/12/179346912.db2.gz WVLKBRBIIHEVIV-NOLJZWGESA-N 1 0 246.398 3.115 10 0 BGAERO Cc1ccccc1[C@@H]([C@@H](C)N)[NH+]1CCCCCC1 ZINC000043033430 179328573 /nfs/dbraw/zinc/32/85/73/179328573.db2.gz VRZRNHPVNXHRDK-GDBMZVCRSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1ccccc1[C@H]([C@@H](C)N)[NH+]1CCCCCC1 ZINC000043033433 179346847 /nfs/dbraw/zinc/34/68/47/179346847.db2.gz VRZRNHPVNXHRDK-ZBFHGGJFSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1ccccc1[C@@H]([C@H](C)N)[NH+]1CCCCCC1 ZINC000043033436 179327960 /nfs/dbraw/zinc/32/79/60/179327960.db2.gz VRZRNHPVNXHRDK-GOEBONIOSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1ccccc1[C@H]([C@H](C)N)[NH+]1CCCCCC1 ZINC000043033440 179347659 /nfs/dbraw/zinc/34/76/59/179347659.db2.gz VRZRNHPVNXHRDK-HOCLYGCPSA-N 1 0 246.398 3.259 10 0 BGAERO Cc1ccccc1[C@@H]([C@@H](C)N)[N@H+](C)C1CCCC1 ZINC000043034441 179328491 /nfs/dbraw/zinc/32/84/91/179328491.db2.gz NFUXQRMDHPIAPL-CZUORRHYSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@H]([C@@H](C)N)[N@H+](C)C1CCCC1 ZINC000043034444 179346659 /nfs/dbraw/zinc/34/66/59/179346659.db2.gz NFUXQRMDHPIAPL-CJNGLKHVSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@@H]([C@H](C)N)[N@H+](C)C1CCCC1 ZINC000043034447 179327275 /nfs/dbraw/zinc/32/72/75/179327275.db2.gz NFUXQRMDHPIAPL-XJKSGUPXSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccccc1[C@H]([C@H](C)N)[N@H+](C)C1CCCC1 ZINC000043034450 179347362 /nfs/dbraw/zinc/34/73/62/179347362.db2.gz NFUXQRMDHPIAPL-BBRMVZONSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[N@H+]([C@@H](c1ccccc1C)[C@@H](C)N)C1CC1 ZINC000043034485 169090613 /nfs/dbraw/zinc/09/06/13/169090613.db2.gz MIVNNBXGVUMZSQ-CZUORRHYSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[N@H+]([C@H](c1ccccc1C)[C@@H](C)N)C1CC1 ZINC000043034488 169091500 /nfs/dbraw/zinc/09/15/00/169091500.db2.gz MIVNNBXGVUMZSQ-CJNGLKHVSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[N@H+](C)[C@@H](c1ccccc1C)[C@H](N)CC ZINC000043034506 169085718 /nfs/dbraw/zinc/08/57/18/169085718.db2.gz XLZIDHDVZKNYML-CABCVRRESA-N 1 0 234.387 3.115 10 0 BGAERO CCC[N@H+](C)[C@H](c1ccccc1C)[C@H](N)CC ZINC000043034507 169087688 /nfs/dbraw/zinc/08/76/88/169087688.db2.gz XLZIDHDVZKNYML-HUUCEWRRSA-N 1 0 234.387 3.115 10 0 BGAERO CC[C@H](C)[N@H+](C)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034536 171309134 /nfs/dbraw/zinc/30/91/34/171309134.db2.gz ZKINWFLMRNDJNF-GZBFAFLISA-N 1 0 234.387 3.114 10 0 BGAERO CC[C@H](C)C[N@H+](C)[C@@H](c1ccccc1C)[C@@H](C)N ZINC000043034595 171273609 /nfs/dbraw/zinc/27/36/09/171273609.db2.gz WDQNNMDZYYJSAJ-JGGQBBKZSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@@H]([C@@H](C)N)[N@H+](C)[C@@H](C)C1CC1 ZINC000043035023 179328258 /nfs/dbraw/zinc/32/82/58/179328258.db2.gz MGZKDISWNIJUTO-DVOMOZLQSA-N 1 0 246.398 3.114 10 0 BGAERO Cc1ccccc1[C@H]([C@@H](C)N)[N@H+](C)[C@@H](C)C1CC1 ZINC000043035027 179347549 /nfs/dbraw/zinc/34/75/49/179347549.db2.gz MGZKDISWNIJUTO-WWGRRREGSA-N 1 0 246.398 3.114 10 0 BGAERO Cc1ccccc1[C@@H]([C@H](C)N)[N@H+](C)[C@@H](C)C1CC1 ZINC000043035031 179329025 /nfs/dbraw/zinc/32/90/25/179329025.db2.gz MGZKDISWNIJUTO-HEHGZKQESA-N 1 0 246.398 3.114 10 0 BGAERO Cc1ccccc1[C@H]([C@H](C)N)[N@H+](C)[C@@H](C)C1CC1 ZINC000043035034 179346588 /nfs/dbraw/zinc/34/65/88/179346588.db2.gz MGZKDISWNIJUTO-XEZPLFJOSA-N 1 0 246.398 3.114 10 0 BGAERO Cc1ccccc1[C@H]([C@@H](C)N)[N@@H+](C)[C@@H](C)C(C)C ZINC000043035057 179347407 /nfs/dbraw/zinc/34/74/07/179347407.db2.gz MUOVUYOGOLKKPF-YCPHGPKFSA-N 1 0 248.414 3.360 10 0 BGAERO Cc1ccccc1[C@H]([C@H](C)N)[N@@H+](C)[C@@H](C)C(C)C ZINC000043035063 179347259 /nfs/dbraw/zinc/34/72/59/179347259.db2.gz MUOVUYOGOLKKPF-DZKIICNBSA-N 1 0 248.414 3.360 10 0 BGAERO Cc1ccccc1[C@@H]([C@@H](C)N)[N@@H+](C)CCC(C)C ZINC000043036245 179327507 /nfs/dbraw/zinc/32/75/07/179327507.db2.gz VBUFPIIUHSJOFD-GDBMZVCRSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@H]([C@@H](C)N)[N@@H+](C)CCC(C)C ZINC000043036247 179347142 /nfs/dbraw/zinc/34/71/42/179347142.db2.gz VBUFPIIUHSJOFD-ZBFHGGJFSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@@H]([C@H](C)N)[N@@H+](C)CCC(C)C ZINC000043036250 179328154 /nfs/dbraw/zinc/32/81/54/179328154.db2.gz VBUFPIIUHSJOFD-GOEBONIOSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@H]([C@H](C)N)[N@@H+](C)CCC(C)C ZINC000043036253 179346934 /nfs/dbraw/zinc/34/69/34/179346934.db2.gz VBUFPIIUHSJOFD-HOCLYGCPSA-N 1 0 248.414 3.361 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])OC1CCCCC1 ZINC000043038059 179342107 /nfs/dbraw/zinc/34/21/07/179342107.db2.gz CHGGHJYMDRGGJB-HNNXBMFYSA-N 1 0 233.355 3.344 10 0 BGAERO Cc1ccccc1[C@H](OC1CCCC1)[C@@H](C)[NH3+] ZINC000043038088 179345501 /nfs/dbraw/zinc/34/55/01/179345501.db2.gz KYYPLIMFKJZZKN-IUODEOHRSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1ccccc1[C@@H](OC1CCCC1)[C@@H](C)[NH3+] ZINC000043038091 179326763 /nfs/dbraw/zinc/32/67/63/179326763.db2.gz KYYPLIMFKJZZKN-DOMZBBRYSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1ccccc1[C@H](OC1CCCC1)[C@H](C)[NH3+] ZINC000043038093 179344757 /nfs/dbraw/zinc/34/47/57/179344757.db2.gz KYYPLIMFKJZZKN-SWLSCSKDSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1ccccc1[C@@H](OC1CCCC1)[C@H](C)[NH3+] ZINC000043038096 179325812 /nfs/dbraw/zinc/32/58/12/179325812.db2.gz KYYPLIMFKJZZKN-WFASDCNBSA-N 1 0 233.355 3.343 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])OCc1ccccc1 ZINC000043038112 179341712 /nfs/dbraw/zinc/34/17/12/179341712.db2.gz CPWVOOXVFQGZQV-INIZCTEOSA-N 1 0 241.334 3.212 10 0 BGAERO Cc1ccccc1[C@H](OCc1ccco1)[C@@H](C)[NH3+] ZINC000043038167 179345625 /nfs/dbraw/zinc/34/56/25/179345625.db2.gz VFNLSGSVVKODFW-IUODEOHRSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1ccccc1[C@@H](OCc1ccco1)[C@@H](C)[NH3+] ZINC000043038169 179328015 /nfs/dbraw/zinc/32/80/15/179328015.db2.gz VFNLSGSVVKODFW-DOMZBBRYSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1ccccc1[C@H](OCc1ccco1)[C@H](C)[NH3+] ZINC000043038171 179345048 /nfs/dbraw/zinc/34/50/48/179345048.db2.gz VFNLSGSVVKODFW-SWLSCSKDSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1ccccc1[C@@H](OCc1ccco1)[C@H](C)[NH3+] ZINC000043038173 179328298 /nfs/dbraw/zinc/32/82/98/179328298.db2.gz VFNLSGSVVKODFW-WFASDCNBSA-N 1 0 245.322 3.193 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccccc1F ZINC000043038476 187266753 /nfs/dbraw/zinc/26/67/53/187266753.db2.gz HHWGZJKPONALLK-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccccc1F ZINC000043038479 179342700 /nfs/dbraw/zinc/34/27/00/179342700.db2.gz HHWGZJKPONALLK-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000043038631 179175251 /nfs/dbraw/zinc/17/52/51/179175251.db2.gz SHUZGSQEVQAPME-INIZCTEOSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc(O[C@H](C[NH3+])c2ccccc2C)c1 ZINC000043038634 179174569 /nfs/dbraw/zinc/17/45/69/179174569.db2.gz SHUZGSQEVQAPME-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1ccccc1O[C@H](C[NH3+])c1ccccc1C ZINC000043038659 179314104 /nfs/dbraw/zinc/31/41/04/179314104.db2.gz NQTXMMOWDSHRFW-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1ccccc1O[C@@H](C[NH3+])c1ccccc1C ZINC000043038662 179312581 /nfs/dbraw/zinc/31/25/81/179312581.db2.gz NQTXMMOWDSHRFW-INIZCTEOSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccc(F)cc1 ZINC000043038685 187777761 /nfs/dbraw/zinc/77/77/61/187777761.db2.gz IMNRTSRVECDHCG-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccc(F)cc1 ZINC000043038687 179341415 /nfs/dbraw/zinc/34/14/15/179341415.db2.gz IMNRTSRVECDHCG-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Oc1ccccc1 ZINC000043038711 187267010 /nfs/dbraw/zinc/26/70/10/187267010.db2.gz ZCRHMFWBXVIXRY-OAHLLOKOSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Oc1ccccc1 ZINC000043038713 179342369 /nfs/dbraw/zinc/34/23/69/179342369.db2.gz ZCRHMFWBXVIXRY-HNNXBMFYSA-N 1 0 227.307 3.074 10 0 BGAERO Cc1ccccc1[C@H](Oc1ccccc1)[C@@H](C)[NH3+] ZINC000043038716 179345382 /nfs/dbraw/zinc/34/53/82/179345382.db2.gz LJNHMLJXUXPHIM-CZUORRHYSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1[C@@H](Oc1ccccc1)[C@@H](C)[NH3+] ZINC000043038719 179328143 /nfs/dbraw/zinc/32/81/43/179328143.db2.gz LJNHMLJXUXPHIM-CJNGLKHVSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1[C@H](Oc1ccccc1)[C@H](C)[NH3+] ZINC000043038722 179345929 /nfs/dbraw/zinc/34/59/29/179345929.db2.gz LJNHMLJXUXPHIM-XJKSGUPXSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1[C@@H](Oc1ccccc1)[C@H](C)[NH3+] ZINC000043038725 179329184 /nfs/dbraw/zinc/32/91/84/179329184.db2.gz LJNHMLJXUXPHIM-BBRMVZONSA-N 1 0 241.334 3.462 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Oc1cccc(F)c1 ZINC000043038850 179342387 /nfs/dbraw/zinc/34/23/87/179342387.db2.gz VNHAYOWXYMLZDM-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1ccccc1[C@H](OCCC(C)C)[C@@H](C)[NH3+] ZINC000043039095 179344773 /nfs/dbraw/zinc/34/47/73/179344773.db2.gz CNSQOPFAYFQKET-UKRRQHHQSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1ccccc1[C@@H](OCCC(C)C)[C@@H](C)[NH3+] ZINC000043039097 179326350 /nfs/dbraw/zinc/32/63/50/179326350.db2.gz CNSQOPFAYFQKET-HIFRSBDPSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1ccccc1[C@H](OCCC(C)C)[C@H](C)[NH3+] ZINC000043039100 179345611 /nfs/dbraw/zinc/34/56/11/179345611.db2.gz CNSQOPFAYFQKET-DZGCQCFKSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1ccccc1[C@@H](OCCC(C)C)[C@H](C)[NH3+] ZINC000043039102 179325940 /nfs/dbraw/zinc/32/59/40/179325940.db2.gz CNSQOPFAYFQKET-ZFWWWQNUSA-N 1 0 235.371 3.446 10 0 BGAERO CC[C@H]([NH3+])[C@@H](OCC(C)C)c1ccccc1C ZINC000043039136 171487129 /nfs/dbraw/zinc/48/71/29/171487129.db2.gz XDPJKEMYLWGRBA-GJZGRUSLSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])O[C@@H](C)CC(C)C ZINC000043039405 179342361 /nfs/dbraw/zinc/34/23/61/179342361.db2.gz TXZBIYSPDMSUMB-ZFWWWQNUSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])O[C@H](C)CC(C)C ZINC000043039411 179341629 /nfs/dbraw/zinc/34/16/29/179341629.db2.gz TXZBIYSPDMSUMB-HIFRSBDPSA-N 1 0 235.371 3.446 10 0 BGAERO Cc1ccccc1[C@H](OC(C)(C)C)[C@@H](C)[NH3+] ZINC000043039835 179345628 /nfs/dbraw/zinc/34/56/28/179345628.db2.gz OVEBJFFHINOBBA-DGCLKSJQSA-N 1 0 221.344 3.198 10 0 BGAERO Cc1ccccc1[C@@H](OC(C)(C)C)[C@@H](C)[NH3+] ZINC000043039838 179325765 /nfs/dbraw/zinc/32/57/65/179325765.db2.gz OVEBJFFHINOBBA-YPMHNXCESA-N 1 0 221.344 3.198 10 0 BGAERO Cc1ccccc1[C@H](OC(C)(C)C)[C@H](C)[NH3+] ZINC000043039841 179345069 /nfs/dbraw/zinc/34/50/69/179345069.db2.gz OVEBJFFHINOBBA-WCQYABFASA-N 1 0 221.344 3.198 10 0 BGAERO Cc1ccccc1[C@@H](OC(C)(C)C)[C@H](C)[NH3+] ZINC000043039844 179326371 /nfs/dbraw/zinc/32/63/71/179326371.db2.gz OVEBJFFHINOBBA-AAEUAGOBSA-N 1 0 221.344 3.198 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])OCCCC(C)C ZINC000043039860 179342013 /nfs/dbraw/zinc/34/20/13/179342013.db2.gz PYSUPJYOGDGUGS-HNNXBMFYSA-N 1 0 235.371 3.448 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])OCc1cccs1 ZINC000043040501 179342302 /nfs/dbraw/zinc/34/23/02/179342302.db2.gz VTMFUJYGCXOJFA-AWEZNQCLSA-N 1 0 247.363 3.273 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Sc1ccccn1 ZINC000043040977 187266800 /nfs/dbraw/zinc/26/68/00/187266800.db2.gz XIMYNNNZAXHZTI-CYBMUJFWSA-N 1 0 244.363 3.182 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Sc1ccccn1 ZINC000043040980 179342141 /nfs/dbraw/zinc/34/21/41/179342141.db2.gz XIMYNNNZAXHZTI-ZDUSSCGKSA-N 1 0 244.363 3.182 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])SC(C)C ZINC000043041829 187267493 /nfs/dbraw/zinc/26/74/93/187267493.db2.gz GKGRIKHZXOQVLX-GFCCVEGCSA-N 1 0 209.358 3.136 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])SC(C)C ZINC000043041832 179342359 /nfs/dbraw/zinc/34/23/59/179342359.db2.gz GKGRIKHZXOQVLX-LBPRGKRZSA-N 1 0 209.358 3.136 10 0 BGAERO C[C@@H]([NH3+])[C@H](OC1CCCC1)c1ccccc1F ZINC000043046490 175812449 /nfs/dbraw/zinc/81/24/49/175812449.db2.gz KCPHZZCHNZMIIY-YGRLFVJLSA-N 1 0 237.318 3.173 10 0 BGAERO C[C@@H]([NH3+])[C@@H](OCc1ccco1)c1ccccc1F ZINC000043046573 175809211 /nfs/dbraw/zinc/80/92/11/175809211.db2.gz QTDLAHUKWCBRAV-QMTHXVAHSA-N 1 0 249.285 3.024 10 0 BGAERO C[C@H]([NH3+])[C@H](Oc1ccccc1)c1ccccc1F ZINC000043047069 176771565 /nfs/dbraw/zinc/77/15/65/176771565.db2.gz JRPOLAODVQVJPF-NHYWBVRUSA-N 1 0 245.297 3.293 10 0 BGAERO CC(C)CCO[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043047418 166882251 /nfs/dbraw/zinc/88/22/51/166882251.db2.gz ULZXWWYZFVCRGF-FZMZJTMJSA-N 1 0 239.334 3.277 10 0 BGAERO CC(C)C[C@H](C)O[C@@H](C[NH3+])c1ccccc1F ZINC000043047717 187267388 /nfs/dbraw/zinc/26/73/88/187267388.db2.gz QWEYQXXFOJBGSZ-FZMZJTMJSA-N 1 0 239.334 3.277 10 0 BGAERO CC(C)C[C@@H](C)O[C@H](C[NH3+])c1ccccc1F ZINC000043047720 187267605 /nfs/dbraw/zinc/26/76/05/187267605.db2.gz QWEYQXXFOJBGSZ-BXUZGUMPSA-N 1 0 239.334 3.277 10 0 BGAERO CC[C@H]([NH3+])[C@H](OCC1CC1)c1ccccc1F ZINC000043047959 171488265 /nfs/dbraw/zinc/48/82/65/171488265.db2.gz VODYDYWNCOMGER-UONOGXRCSA-N 1 0 237.318 3.031 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](OCC1CC1)c1ccccc1F ZINC000043047968 170867361 /nfs/dbraw/zinc/86/73/61/170867361.db2.gz VODYDYWNCOMGER-KGLIPLIRSA-N 1 0 237.318 3.031 10 0 BGAERO C[C@@H]([NH3+])[C@H](OC(C)(C)C)c1ccccc1F ZINC000043048163 175812424 /nfs/dbraw/zinc/81/24/24/175812424.db2.gz QZEMZRPVTVIZPX-SKDRFNHKSA-N 1 0 225.307 3.029 10 0 BGAERO C[C@H]([NH3+])[C@@H](OC(C)(C)C)c1ccccc1F ZINC000043048166 176764955 /nfs/dbraw/zinc/76/49/55/176764955.db2.gz QZEMZRPVTVIZPX-JOYOIKCWSA-N 1 0 225.307 3.029 10 0 BGAERO CC[C@H]([NH3+])[C@H](OC(C)(C)C)c1ccccc1F ZINC000043048172 171488389 /nfs/dbraw/zinc/48/83/89/171488389.db2.gz KWEUQJJMUUCQGO-QWHCGFSZSA-N 1 0 239.334 3.419 10 0 BGAERO CC[C@H]([NH3+])[C@@H](OC(C)(C)C)c1ccccc1F ZINC000043048177 171487547 /nfs/dbraw/zinc/48/75/47/171487547.db2.gz KWEUQJJMUUCQGO-STQMWFEESA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043048225 168304488 /nfs/dbraw/zinc/30/44/88/168304488.db2.gz DFABXQLDEUHMBS-ZWNOBZJWSA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043048227 168304452 /nfs/dbraw/zinc/30/44/52/168304452.db2.gz DFABXQLDEUHMBS-MFKMUULPSA-N 1 0 239.334 3.419 10 0 BGAERO CCC(C)(C)O[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043048229 168303777 /nfs/dbraw/zinc/30/37/77/168303777.db2.gz DFABXQLDEUHMBS-GXFFZTMASA-N 1 0 239.334 3.419 10 0 BGAERO CCCCO[C@H](c1ccccc1F)[C@@H]([NH3+])CC ZINC000043048554 168914773 /nfs/dbraw/zinc/91/47/73/168914773.db2.gz BQVBLVCNJDCNGB-UONOGXRCSA-N 1 0 239.334 3.421 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](O[C@@H](C)CC)c1ccccc1F ZINC000043048698 171355684 /nfs/dbraw/zinc/35/56/84/171355684.db2.gz PEPVUYIRKXQOBO-GDLCADMTSA-N 1 0 239.334 3.419 10 0 BGAERO CC[C@@H]([NH3+])[C@H](O[C@@H](C)CC)c1ccccc1F ZINC000043048704 171356274 /nfs/dbraw/zinc/35/62/74/171356274.db2.gz PEPVUYIRKXQOBO-ZLKJLUDKSA-N 1 0 239.334 3.419 10 0 BGAERO CC(C)S[C@@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043050224 167335340 /nfs/dbraw/zinc/33/53/40/167335340.db2.gz RFEDIMXPRZMOKX-BXKDBHETSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@H](c1ccccc1F)[C@@H](C)[NH3+] ZINC000043050227 167335853 /nfs/dbraw/zinc/33/58/53/167335853.db2.gz RFEDIMXPRZMOKX-SKDRFNHKSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043050230 167335956 /nfs/dbraw/zinc/33/59/56/167335956.db2.gz RFEDIMXPRZMOKX-JOYOIKCWSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)S[C@H](c1ccccc1F)[C@H](C)[NH3+] ZINC000043050232 167335357 /nfs/dbraw/zinc/33/53/57/167335357.db2.gz RFEDIMXPRZMOKX-CABZTGNLSA-N 1 0 227.348 3.356 10 0 BGAERO CC(C)O[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043087724 167281968 /nfs/dbraw/zinc/28/19/68/167281968.db2.gz QLAQIMZETRUXFU-BXKDBHETSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043087727 167283327 /nfs/dbraw/zinc/28/33/27/167283327.db2.gz QLAQIMZETRUXFU-SKDRFNHKSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043087730 167280875 /nfs/dbraw/zinc/28/08/75/167280875.db2.gz QLAQIMZETRUXFU-JOYOIKCWSA-N 1 0 227.735 3.153 10 0 BGAERO CC(C)O[C@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043087733 167282835 /nfs/dbraw/zinc/28/28/35/167282835.db2.gz QLAQIMZETRUXFU-CABZTGNLSA-N 1 0 227.735 3.153 10 0 BGAERO CCS[C@H](C[NH3+])c1ccccc1Cl ZINC000043089530 170651588 /nfs/dbraw/zinc/65/15/88/170651588.db2.gz DWSCMRWSBHCLSE-SNVBAGLBSA-N 1 0 215.749 3.093 10 0 BGAERO CS[C@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043090054 342788885 /nfs/dbraw/zinc/78/88/85/342788885.db2.gz DOESFSKXKFEJRU-XVKPBYJWSA-N 1 0 215.749 3.091 10 0 BGAERO CS[C@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043090056 342788780 /nfs/dbraw/zinc/78/87/80/342788780.db2.gz DOESFSKXKFEJRU-XCBNKYQSSA-N 1 0 215.749 3.091 10 0 BGAERO CS[C@@H](c1ccccc1Cl)[C@H](C)[NH3+] ZINC000043090059 342788870 /nfs/dbraw/zinc/78/88/70/342788870.db2.gz DOESFSKXKFEJRU-OIBJUYFYSA-N 1 0 215.749 3.091 10 0 BGAERO CS[C@@H](c1ccccc1Cl)[C@@H](C)[NH3+] ZINC000043090062 342788768 /nfs/dbraw/zinc/78/87/68/342788768.db2.gz DOESFSKXKFEJRU-GMSGAONNSA-N 1 0 215.749 3.091 10 0 BGAERO COc1ccccc1[C@@H](C[NH3+])OC1CCCCC1 ZINC000043098890 175346003 /nfs/dbraw/zinc/34/60/03/175346003.db2.gz XBFJIWGEUNPTBP-OAHLLOKOSA-N 1 0 249.354 3.044 10 0 BGAERO COc1ccccc1[C@H](C[NH3+])OC1CCCCC1 ZINC000043098892 175353264 /nfs/dbraw/zinc/35/32/64/175353264.db2.gz XBFJIWGEUNPTBP-HNNXBMFYSA-N 1 0 249.354 3.044 10 0 BGAERO COc1ccccc1[C@@H](OC1CCCC1)[C@H](C)[NH3+] ZINC000043098913 175347945 /nfs/dbraw/zinc/34/79/45/175347945.db2.gz WITFUHKQVAMWAX-NHYWBVRUSA-N 1 0 249.354 3.043 10 0 BGAERO COc1ccccc1[C@@H](OC1CCCC1)[C@@H](C)[NH3+] ZINC000043098915 175347934 /nfs/dbraw/zinc/34/79/34/175347934.db2.gz WITFUHKQVAMWAX-ABAIWWIYSA-N 1 0 249.354 3.043 10 0 BGAERO COc1ccccc1[C@H](OC1CCCC1)[C@H](C)[NH3+] ZINC000043098917 175354290 /nfs/dbraw/zinc/35/42/90/175354290.db2.gz WITFUHKQVAMWAX-XHDPSFHLSA-N 1 0 249.354 3.043 10 0 BGAERO COc1ccccc1[C@H](OC1CCCC1)[C@@H](C)[NH3+] ZINC000043098919 175354119 /nfs/dbraw/zinc/35/41/19/175354119.db2.gz WITFUHKQVAMWAX-IAQYHMDHSA-N 1 0 249.354 3.043 10 0 BGAERO C[C@@H]([NH3+])[C@@H](OCc1ccccc1)c1cccs1 ZINC000043107579 175809471 /nfs/dbraw/zinc/80/94/71/175809471.db2.gz KJEVLEQERFPENM-BXUZGUMPSA-N 1 0 247.363 3.353 10 0 BGAERO C[C@@H]([NH3+])[C@@H](Oc1ccccc1)c1cccs1 ZINC000043108511 175809675 /nfs/dbraw/zinc/80/96/75/175809675.db2.gz HBTVHSUVIVVNCK-ZWNOBZJWSA-N 1 0 233.336 3.215 10 0 BGAERO CC1CCC(O[C@@H](C[NH3+])c2cccs2)CC1 ZINC000043109435 168168472 /nfs/dbraw/zinc/16/84/72/168168472.db2.gz SYUIGGHURWQQSZ-MCIGGMRASA-N 1 0 239.384 3.343 10 0 BGAERO CC1CCC(O[C@H](C[NH3+])c2cccs2)CC1 ZINC000043109438 168168699 /nfs/dbraw/zinc/16/86/99/168168699.db2.gz SYUIGGHURWQQSZ-HTAVTVPLSA-N 1 0 239.384 3.343 10 0 BGAERO CC(C)S[C@@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043114519 167335716 /nfs/dbraw/zinc/33/57/16/167335716.db2.gz RGBMIXBOLPQZHW-PSASIEDQSA-N 1 0 215.387 3.278 10 0 BGAERO CC(C)S[C@H](c1cccs1)[C@@H](C)[NH3+] ZINC000043114523 167335681 /nfs/dbraw/zinc/33/56/81/167335681.db2.gz RGBMIXBOLPQZHW-SCZZXKLOSA-N 1 0 215.387 3.278 10 0 BGAERO CC(C)S[C@@H](c1cccs1)[C@H](C)[NH3+] ZINC000043114527 167335907 /nfs/dbraw/zinc/33/59/07/167335907.db2.gz RGBMIXBOLPQZHW-WCBMZHEXSA-N 1 0 215.387 3.278 10 0 BGAERO CC(C)S[C@H](c1cccs1)[C@H](C)[NH3+] ZINC000043114531 167335285 /nfs/dbraw/zinc/33/52/85/167335285.db2.gz RGBMIXBOLPQZHW-WPRPVWTQSA-N 1 0 215.387 3.278 10 0 BGAERO [NH3+]C[C@@H](OC1CCCCC1)c1ccsc1 ZINC000043124274 181423038 /nfs/dbraw/zinc/42/30/38/181423038.db2.gz DNDZXFOSPPXOGI-GFCCVEGCSA-N 1 0 225.357 3.097 10 0 BGAERO Cc1cccc(O[C@@H](C[NH3+])c2ccsc2)c1 ZINC000043124592 179174935 /nfs/dbraw/zinc/17/49/35/179174935.db2.gz RYHBSQTYORERIR-ZDUSSCGKSA-N 1 0 233.336 3.135 10 0 BGAERO Cc1ccccc1O[C@@H](C[NH3+])c1ccsc1 ZINC000043124602 179312414 /nfs/dbraw/zinc/31/24/14/179312414.db2.gz SFAMZOCHSQOOPE-ZDUSSCGKSA-N 1 0 233.336 3.135 10 0 BGAERO Cc1ccccc1O[C@H](C[NH3+])c1ccsc1 ZINC000043124603 179314025 /nfs/dbraw/zinc/31/40/25/179314025.db2.gz SFAMZOCHSQOOPE-CYBMUJFWSA-N 1 0 233.336 3.135 10 0 BGAERO C[C@@H]([NH3+])[C@H](Oc1ccccc1)c1ccsc1 ZINC000043124625 175812879 /nfs/dbraw/zinc/81/28/79/175812879.db2.gz WZWVQRAOPMUSLY-MFKMUULPSA-N 1 0 233.336 3.215 10 0 BGAERO CC1CCC(O[C@@H](C[NH3+])c2ccsc2)CC1 ZINC000043124896 168168692 /nfs/dbraw/zinc/16/86/92/168168692.db2.gz CZTQFZOPJRUNLH-GDKBPFBDSA-N 1 0 239.384 3.343 10 0 BGAERO CC1CCC(O[C@H](C[NH3+])c2ccsc2)CC1 ZINC000043124897 168168735 /nfs/dbraw/zinc/16/87/35/168168735.db2.gz CZTQFZOPJRUNLH-KGPNIALWSA-N 1 0 239.384 3.343 10 0 BGAERO [NH3+]C[C@H](OC1CCCCCC1)c1ccsc1 ZINC000043125687 181452442 /nfs/dbraw/zinc/45/24/42/181452442.db2.gz BPGSQFXHIUKUKP-ZDUSSCGKSA-N 1 0 239.384 3.487 10 0 BGAERO CC(C)S[C@@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043126340 167336038 /nfs/dbraw/zinc/33/60/38/167336038.db2.gz RMBKMOZQYISDNL-PSASIEDQSA-N 1 0 215.387 3.278 10 0 BGAERO CC(C)S[C@H](c1ccsc1)[C@@H](C)[NH3+] ZINC000043126341 167335138 /nfs/dbraw/zinc/33/51/38/167335138.db2.gz RMBKMOZQYISDNL-SCZZXKLOSA-N 1 0 215.387 3.278 10 0 BGAERO CC(C)S[C@@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043126342 167336239 /nfs/dbraw/zinc/33/62/39/167336239.db2.gz RMBKMOZQYISDNL-WCBMZHEXSA-N 1 0 215.387 3.278 10 0 BGAERO CC(C)S[C@H](c1ccsc1)[C@H](C)[NH3+] ZINC000043126343 167336196 /nfs/dbraw/zinc/33/61/96/167336196.db2.gz RMBKMOZQYISDNL-WPRPVWTQSA-N 1 0 215.387 3.278 10 0 BGAERO CCCc1c(C)c(C[C@@H](C)[NH3+])c2ccccn21 ZINC000043130065 358367709 /nfs/dbraw/zinc/36/77/09/358367709.db2.gz SJHPLVPERKYMKE-LLVKDONJSA-N 1 0 230.355 3.090 10 0 BGAERO CCCc1c(C)c(C[C@H](C)[NH3+])c2ccccn21 ZINC000043130067 358367265 /nfs/dbraw/zinc/36/72/65/358367265.db2.gz SJHPLVPERKYMKE-NSHDSACASA-N 1 0 230.355 3.090 10 0 BGAERO Cc1ccc([C@H](OC2CCCC2)[C@@H](C)[NH3+])s1 ZINC000043243767 178916661 /nfs/dbraw/zinc/91/66/61/178916661.db2.gz YLQSUEDGWWRNNB-ZWNOBZJWSA-N 1 0 239.384 3.404 10 0 BGAERO Cc1ccc([C@H](OC(C)(C)C)[C@@H](C)[NH3+])s1 ZINC000043245372 178916334 /nfs/dbraw/zinc/91/63/34/178916334.db2.gz MIJQPRNMDQXIQG-MWLCHTKSSA-N 1 0 227.373 3.260 10 0 BGAERO Cc1ccc([C@H](OC(C)(C)C)[C@H](C)[NH3+])s1 ZINC000043245375 178916197 /nfs/dbraw/zinc/91/61/97/178916197.db2.gz MIJQPRNMDQXIQG-GXSJLCMTSA-N 1 0 227.373 3.260 10 0 BGAERO CCS[C@@H](c1ccc(C)s1)[C@H](C)[NH3+] ZINC000043246602 170648382 /nfs/dbraw/zinc/64/83/82/170648382.db2.gz HQKLNCFWUQSPEM-WCBMZHEXSA-N 1 0 215.387 3.198 10 0 BGAERO CCS[C@H](c1ccc(C)s1)[C@H](C)[NH3+] ZINC000043246604 170651265 /nfs/dbraw/zinc/65/12/65/170651265.db2.gz HQKLNCFWUQSPEM-WPRPVWTQSA-N 1 0 215.387 3.198 10 0 BGAERO CC[C@@H]([NH3+])[C@H](SC)c1ccc(C)s1 ZINC000043246966 170869265 /nfs/dbraw/zinc/86/92/65/170869265.db2.gz PBXKWJCQQWORFK-SCZZXKLOSA-N 1 0 215.387 3.198 10 0 BGAERO Cc1ccsc1[C@@H](OC(C)(C)C)[C@H](C)[NH3+] ZINC000043250117 179553962 /nfs/dbraw/zinc/55/39/62/179553962.db2.gz OYUBOWSNAOXMEV-UWVGGRQHSA-N 1 0 227.373 3.260 10 0 BGAERO Cc1ccsc1[C@H](C[NH3+])SC(C)C ZINC000043251524 179556548 /nfs/dbraw/zinc/55/65/48/179556548.db2.gz BYMNQZOCUFQXOE-VIFPVBQESA-N 1 0 215.387 3.198 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](SC)c1sccc1C ZINC000043251551 170866866 /nfs/dbraw/zinc/86/68/66/170866866.db2.gz KTDKXUDDMZPYGR-PSASIEDQSA-N 1 0 215.387 3.198 10 0 BGAERO CC(C)O[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043255703 167280911 /nfs/dbraw/zinc/28/09/11/167280911.db2.gz JHTLFOOXXQQFBD-GMSGAONNSA-N 1 0 233.764 3.215 10 0 BGAERO CC(C)O[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043255705 167282483 /nfs/dbraw/zinc/28/24/83/167282483.db2.gz JHTLFOOXXQQFBD-XCBNKYQSSA-N 1 0 233.764 3.215 10 0 BGAERO CC(C)O[C@@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000043255707 167281045 /nfs/dbraw/zinc/28/10/45/167281045.db2.gz JHTLFOOXXQQFBD-OIBJUYFYSA-N 1 0 233.764 3.215 10 0 BGAERO CC(C)O[C@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000043255709 167282791 /nfs/dbraw/zinc/28/27/91/167282791.db2.gz JHTLFOOXXQQFBD-XVKPBYJWSA-N 1 0 233.764 3.215 10 0 BGAERO CC(C)(C)O[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043256123 188152044 /nfs/dbraw/zinc/15/20/44/188152044.db2.gz HTIPBZMDZSTFMZ-ZETCQYMHSA-N 1 0 233.764 3.216 10 0 BGAERO CCS[C@@H](C[NH3+])c1ccc(Cl)s1 ZINC000043257544 170647985 /nfs/dbraw/zinc/64/79/85/170647985.db2.gz SGRDMLLVVHZFFP-ZETCQYMHSA-N 1 0 221.778 3.154 10 0 BGAERO CCS[C@H](C[NH3+])c1ccc(Cl)s1 ZINC000043257547 170651285 /nfs/dbraw/zinc/65/12/85/170651285.db2.gz SGRDMLLVVHZFFP-SSDOTTSWSA-N 1 0 221.778 3.154 10 0 BGAERO CS[C@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000043258202 384686052 /nfs/dbraw/zinc/68/60/52/384686052.db2.gz GMGQPNULXSHYBE-XNCJUZBTSA-N 1 0 221.778 3.153 10 0 BGAERO CS[C@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043258205 384686117 /nfs/dbraw/zinc/68/61/17/384686117.db2.gz GMGQPNULXSHYBE-XRGYYRRGSA-N 1 0 221.778 3.153 10 0 BGAERO CS[C@@H](c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000043258208 384687917 /nfs/dbraw/zinc/68/79/17/384687917.db2.gz GMGQPNULXSHYBE-YLWLKBPMSA-N 1 0 221.778 3.153 10 0 BGAERO CS[C@@H](c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000043258211 175547497 /nfs/dbraw/zinc/54/74/97/175547497.db2.gz GMGQPNULXSHYBE-SVGQVSJJSA-N 1 0 221.778 3.153 10 0 BGAERO CC[C@H]([NH3+])[C@H](OCc1ccccc1)C(C)(C)C ZINC000043295138 343039188 /nfs/dbraw/zinc/03/91/88/343039188.db2.gz AWQPDQWKXJSPGW-KBPBESRZSA-N 1 0 235.371 3.355 10 0 BGAERO CC[C@@H]([NH3+])[C@H](OCc1ccccc1)C(C)(C)C ZINC000043295140 343039231 /nfs/dbraw/zinc/03/92/31/343039231.db2.gz AWQPDQWKXJSPGW-KGLIPLIRSA-N 1 0 235.371 3.355 10 0 BGAERO CC[C@H]([NH3+])[C@@H](OCc1ccccc1)C(C)(C)C ZINC000043295142 343038972 /nfs/dbraw/zinc/03/89/72/343038972.db2.gz AWQPDQWKXJSPGW-UONOGXRCSA-N 1 0 235.371 3.355 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](OCc1ccccc1)C(C)(C)C ZINC000043295144 343039025 /nfs/dbraw/zinc/03/90/25/343039025.db2.gz AWQPDQWKXJSPGW-ZIAGYGMSSA-N 1 0 235.371 3.355 10 0 BGAERO Cc1csc(S[C@@H]([C@@H](C)[NH3+])C(C)(C)C)n1 ZINC000043297626 179792096 /nfs/dbraw/zinc/79/20/96/179792096.db2.gz JIZAWWKDPMUROR-BDAKNGLRSA-N 1 0 244.429 3.306 10 0 BGAERO Cc1csc(S[C@H]([C@@H](C)[NH3+])C(C)(C)C)n1 ZINC000043297627 179791416 /nfs/dbraw/zinc/79/14/16/179791416.db2.gz JIZAWWKDPMUROR-RKDXNWHRSA-N 1 0 244.429 3.306 10 0 BGAERO Cc1csc(S[C@@H]([C@H](C)[NH3+])C(C)(C)C)n1 ZINC000043297628 179791445 /nfs/dbraw/zinc/79/14/45/179791445.db2.gz JIZAWWKDPMUROR-IUCAKERBSA-N 1 0 244.429 3.306 10 0 BGAERO CC(C)(C)[C@H](C[NH3+])Sc1cccs1 ZINC000043297679 187461619 /nfs/dbraw/zinc/46/16/19/187461619.db2.gz ALVXZKBPDISZRR-QMMMGPOBSA-N 1 0 215.387 3.214 10 0 BGAERO C[NH2+]Cc1cnc(-c2cccc(C)c2C)s1 ZINC000043314939 173392053 /nfs/dbraw/zinc/39/20/53/173392053.db2.gz JOWPWMDDGXTWPO-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO COc1ccc(Cl)c(-c2ccc(C[NH3+])o2)c1 ZINC000043318378 187948988 /nfs/dbraw/zinc/94/89/88/187948988.db2.gz AKHYDNHGLPHUKO-UHFFFAOYSA-N 1 0 237.686 3.067 10 0 BGAERO CC(C)C[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000043392179 343062578 /nfs/dbraw/zinc/06/25/78/343062578.db2.gz VJTSEAAFZOZAIU-JTQLQIEISA-N 1 0 217.234 3.150 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000043392181 343062583 /nfs/dbraw/zinc/06/25/83/343062583.db2.gz VJTSEAAFZOZAIU-SNVBAGLBSA-N 1 0 217.234 3.150 10 0 BGAERO C[NH2+]Cc1cnc(-c2cc(C)cc(C)c2)s1 ZINC000043393099 173392356 /nfs/dbraw/zinc/39/23/56/173392356.db2.gz BEMCRLBGVKGAGP-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO COc1ccccc1CC[C@@H]([NH3+])C(C)(C)C ZINC000043457425 175323739 /nfs/dbraw/zinc/32/37/39/175323739.db2.gz DXMDGPGBPWFLCT-CYBMUJFWSA-N 1 0 221.344 3.001 10 0 BGAERO COc1ccccc1CC[C@H]([NH3+])C(C)(C)C ZINC000043457426 175323663 /nfs/dbraw/zinc/32/36/63/175323663.db2.gz DXMDGPGBPWFLCT-ZDUSSCGKSA-N 1 0 221.344 3.001 10 0 BGAERO C[C@@H]1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC000043458167 176076606 /nfs/dbraw/zinc/07/66/06/176076606.db2.gz CNHZOGAADJOZJP-HUUCEWRRSA-N 1 0 247.382 3.481 10 0 BGAERO C[C@H]1CCCC[C@@H]1C[NH2+]CCOc1ccccc1 ZINC000043458168 177079891 /nfs/dbraw/zinc/07/98/91/177079891.db2.gz CNHZOGAADJOZJP-LSDHHAIUSA-N 1 0 247.382 3.481 10 0 BGAERO C[C@@H]1CCCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC000043458169 176084521 /nfs/dbraw/zinc/08/45/21/176084521.db2.gz CNHZOGAADJOZJP-CABCVRRESA-N 1 0 247.382 3.481 10 0 BGAERO C[C@H]1CCCC[C@H]1C[NH2+]CCOc1ccccc1 ZINC000043458170 177086129 /nfs/dbraw/zinc/08/61/29/177086129.db2.gz CNHZOGAADJOZJP-GJZGRUSLSA-N 1 0 247.382 3.481 10 0 BGAERO [NH3+][C@@H](Cc1ccccc1)Cc1cc(F)ccc1F ZINC000043459592 181556597 /nfs/dbraw/zinc/55/65/97/181556597.db2.gz ICXLXXOGRAUSBN-AWEZNQCLSA-N 1 0 247.288 3.077 10 0 BGAERO [NH3+][C@H](Cc1ccccc1)Cc1cc(F)ccc1F ZINC000043459593 181626707 /nfs/dbraw/zinc/62/67/07/181626707.db2.gz ICXLXXOGRAUSBN-CQSZACIVSA-N 1 0 247.288 3.077 10 0 BGAERO Fc1ccc(SC[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000043471730 180982319 /nfs/dbraw/zinc/98/23/19/180982319.db2.gz YSCPGHFTQHSIHX-SECBINFHSA-N 1 0 243.322 3.057 10 0 BGAERO Fc1ccc(SC[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000043471731 343474543 /nfs/dbraw/zinc/47/45/43/343474543.db2.gz YSCPGHFTQHSIHX-VIFPVBQESA-N 1 0 243.322 3.057 10 0 BGAERO Fc1ccc(SC[C@H]2CCCC[NH2+]2)cc1F ZINC000043495342 180981861 /nfs/dbraw/zinc/98/18/61/180981861.db2.gz WYXIQOQKAYOBBH-SECBINFHSA-N 1 0 243.322 3.199 10 0 BGAERO Fc1ccc(SC[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000043495345 343475235 /nfs/dbraw/zinc/47/52/35/343475235.db2.gz WHXJCTNNKLVVEB-JTQLQIEISA-N 1 0 243.322 3.199 10 0 BGAERO Fc1ccc(SC[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000043495347 343475291 /nfs/dbraw/zinc/47/52/91/343475291.db2.gz WHXJCTNNKLVVEB-SNVBAGLBSA-N 1 0 243.322 3.199 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC[C@@H]1CCC[NH2+]1 ZINC000043496308 188295675 /nfs/dbraw/zinc/29/56/75/188295675.db2.gz FZXXJOPWBKQOIN-CBBWQLFWSA-N 1 0 239.403 3.216 10 0 BGAERO Cc1cc(OC[C@H]2CCC[NH2+]2)ccc1C(C)C ZINC000043496481 178212157 /nfs/dbraw/zinc/21/21/57/178212157.db2.gz QYRRDFYEGALIIO-CYBMUJFWSA-N 1 0 233.355 3.249 10 0 BGAERO Cc1cc(C(C)(C)C)ccc1OC[C@H]1CCC[NH2+]1 ZINC000043496652 177828743 /nfs/dbraw/zinc/82/87/43/177828743.db2.gz OLSIUGDBQFDWBT-CQSZACIVSA-N 1 0 247.382 3.423 10 0 BGAERO Clc1cccc(OC[C@H]2CCC[NH2+]2)c1Cl ZINC000043496949 358376298 /nfs/dbraw/zinc/37/62/98/358376298.db2.gz XPUHGOXIVFPGSZ-MRVPVSSYSA-N 1 0 246.137 3.124 10 0 BGAERO Cc1cc(OC[C@H]2CCC[NH2+]2)cc(C)c1Cl ZINC000043496986 178212208 /nfs/dbraw/zinc/21/22/08/178212208.db2.gz NBRDSAZYBKHRKL-LLVKDONJSA-N 1 0 239.746 3.088 10 0 BGAERO Clc1ccccc1SC[C@@H]1CCC[NH2+]1 ZINC000043497107 343475663 /nfs/dbraw/zinc/47/56/63/343475663.db2.gz SZGQSBMPLLZAOQ-VIFPVBQESA-N 1 0 227.760 3.184 10 0 BGAERO Clc1ccccc1SC[C@H]1CCC[NH2+]1 ZINC000043497111 343475695 /nfs/dbraw/zinc/47/56/95/343475695.db2.gz SZGQSBMPLLZAOQ-SECBINFHSA-N 1 0 227.760 3.184 10 0 BGAERO Cc1ccc([C@H](O)C[NH+]2CCCCCC2)cc1C ZINC000043501792 178912822 /nfs/dbraw/zinc/91/28/22/178912822.db2.gz VPQSQUZDQNPGSH-MRXNPFEDSA-N 1 0 247.382 3.213 10 0 BGAERO CC(C)(C)[NH2+]Cc1sccc1Br ZINC000043501838 343475939 /nfs/dbraw/zinc/47/59/39/343475939.db2.gz UFNLSHBRYRJBEE-UHFFFAOYSA-N 1 0 248.189 3.399 10 0 BGAERO CCC[NH+](CCC)C[C@H](O)c1ccc(C)c(C)c1 ZINC000043511672 169149489 /nfs/dbraw/zinc/14/94/89/169149489.db2.gz YSVSDVTVPDWJRU-INIZCTEOSA-N 1 0 249.398 3.459 10 0 BGAERO CCC[NH+](CCC)C[C@@H](O)c1ccc(C)c(C)c1 ZINC000043511673 169149460 /nfs/dbraw/zinc/14/94/60/169149460.db2.gz YSVSDVTVPDWJRU-MRXNPFEDSA-N 1 0 249.398 3.459 10 0 BGAERO C[C@@H](C[NH3+])Sc1cc(Cl)ccc1Cl ZINC000043514631 343116571 /nfs/dbraw/zinc/11/65/71/343116571.db2.gz GVKIHRIFIYXUOC-LURJTMIESA-N 1 0 236.167 3.433 10 0 BGAERO C[C@H](C[NH3+])Sc1cc(Cl)ccc1Cl ZINC000043514632 343116427 /nfs/dbraw/zinc/11/64/27/343116427.db2.gz GVKIHRIFIYXUOC-ZCFIWIBFSA-N 1 0 236.167 3.433 10 0 BGAERO C[C@H](Sc1cc(Cl)ccc1Cl)C(N)=[NH2+] ZINC000043516302 343115938 /nfs/dbraw/zinc/11/59/38/343115938.db2.gz WHPFPTXBVLAUQR-YFKPBYRVSA-N 1 0 249.166 3.410 10 0 BGAERO C[C@@H](Sc1cc(Cl)ccc1Cl)C(N)=[NH2+] ZINC000043516303 343116135 /nfs/dbraw/zinc/11/61/35/343116135.db2.gz WHPFPTXBVLAUQR-RXMQYKEDSA-N 1 0 249.166 3.410 10 0 BGAERO C[C@H](CC[NH2+][C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000043533928 538981447 /nfs/dbraw/zinc/98/14/47/538981447.db2.gz SJEOUEKRSDHNIS-BMFZPTHFSA-N 1 0 247.382 3.073 10 0 BGAERO C[C@H](CC[NH2+][C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000043533932 538981717 /nfs/dbraw/zinc/98/17/17/538981717.db2.gz SJEOUEKRSDHNIS-KBMXLJTQSA-N 1 0 247.382 3.073 10 0 BGAERO C[C@@H](CC[NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000043534226 538981678 /nfs/dbraw/zinc/98/16/78/538981678.db2.gz QZRYSEHBHUQOIR-HOCLYGCPSA-N 1 0 247.382 3.339 10 0 BGAERO C[C@H](CC[NH2+]CC[C@@H]1CCCO1)c1ccccc1 ZINC000043534228 538981716 /nfs/dbraw/zinc/98/17/16/538981716.db2.gz QZRYSEHBHUQOIR-ZBFHGGJFSA-N 1 0 247.382 3.339 10 0 BGAERO CCc1c2ccccc2oc1[C@@H](C)CC[NH3+] ZINC000043559380 171745383 /nfs/dbraw/zinc/74/53/83/171745383.db2.gz UNECTKOCEXGMQF-JTQLQIEISA-N 1 0 217.312 3.448 10 0 BGAERO CCc1c2ccccc2oc1[C@H](C)CC[NH3+] ZINC000043559381 171745060 /nfs/dbraw/zinc/74/50/60/171745060.db2.gz UNECTKOCEXGMQF-SNVBAGLBSA-N 1 0 217.312 3.448 10 0 BGAERO COc1ccc2cc([C@@H](C)CC[NH3+])ccc2c1 ZINC000043559419 175224977 /nfs/dbraw/zinc/22/49/77/175224977.db2.gz NQQDTWUJGWWICU-NSHDSACASA-N 1 0 229.323 3.301 10 0 BGAERO COc1ccc2cc([C@H](C)CC[NH3+])ccc2c1 ZINC000043559420 175224338 /nfs/dbraw/zinc/22/43/38/175224338.db2.gz NQQDTWUJGWWICU-LLVKDONJSA-N 1 0 229.323 3.301 10 0 BGAERO CC(C)[C@H]([NH3+])c1ccccc1Br ZINC000043560754 343158255 /nfs/dbraw/zinc/15/82/55/343158255.db2.gz DRGONWICCQWXDN-JTQLQIEISA-N 1 0 228.133 3.105 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccccc1Br ZINC000043560755 343158130 /nfs/dbraw/zinc/15/81/30/343158130.db2.gz DRGONWICCQWXDN-SNVBAGLBSA-N 1 0 228.133 3.105 10 0 BGAERO CCC[C@H]([NH3+])c1ccccc1Br ZINC000043560758 343158217 /nfs/dbraw/zinc/15/82/17/343158217.db2.gz NXZIXIGPUNLHNX-JTQLQIEISA-N 1 0 228.133 3.249 10 0 BGAERO CCC[C@@H]([NH3+])c1ccccc1Br ZINC000043560759 343158153 /nfs/dbraw/zinc/15/81/53/343158153.db2.gz NXZIXIGPUNLHNX-SNVBAGLBSA-N 1 0 228.133 3.249 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccccc1Br ZINC000043560762 343158268 /nfs/dbraw/zinc/15/82/68/343158268.db2.gz WWRMAGNIVBLNJV-NSHDSACASA-N 1 0 242.160 3.495 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccccc1Br ZINC000043560763 343158257 /nfs/dbraw/zinc/15/82/57/343158257.db2.gz WWRMAGNIVBLNJV-LLVKDONJSA-N 1 0 242.160 3.495 10 0 BGAERO CC[C@H]([NH2+]C)c1ccccc1Br ZINC000043560800 343158299 /nfs/dbraw/zinc/15/82/99/343158299.db2.gz MMNOQUTWWQSSSO-JTQLQIEISA-N 1 0 228.133 3.120 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccccc1Br ZINC000043560801 343158185 /nfs/dbraw/zinc/15/81/85/343158185.db2.gz MMNOQUTWWQSSSO-SNVBAGLBSA-N 1 0 228.133 3.120 10 0 BGAERO C[NH2+][C@H](c1ccccc1Br)C(C)C ZINC000043560802 343158192 /nfs/dbraw/zinc/15/81/92/343158192.db2.gz WBAOREWUILHXSL-NSHDSACASA-N 1 0 242.160 3.366 10 0 BGAERO C[NH2+][C@@H](c1ccccc1Br)C(C)C ZINC000043560803 343158200 /nfs/dbraw/zinc/15/82/00/343158200.db2.gz WBAOREWUILHXSL-LLVKDONJSA-N 1 0 242.160 3.366 10 0 BGAERO Nc1cc[nH+]c(NC2CCCCCCC2)c1 ZINC000043568340 343172677 /nfs/dbraw/zinc/17/26/77/343172677.db2.gz QTEHZBDOPBEMPK-UHFFFAOYSA-N 1 0 219.332 3.189 10 0 BGAERO COc1ccc(Nc2cc(N)cc[nH+]2)cc1Cl ZINC000043568545 175156201 /nfs/dbraw/zinc/15/62/01/175156201.db2.gz OYFLVDCUNYHFSF-UHFFFAOYSA-N 1 0 249.701 3.069 10 0 BGAERO Cc1c(Cl)cccc1Nc1cc(N)cc[nH+]1 ZINC000043568560 177602314 /nfs/dbraw/zinc/60/23/14/177602314.db2.gz UTHCBPCQKHUXRQ-UHFFFAOYSA-N 1 0 233.702 3.369 10 0 BGAERO COc1ccc(Cl)cc1Nc1cc(N)cc[nH+]1 ZINC000043568665 175121648 /nfs/dbraw/zinc/12/16/48/175121648.db2.gz OOSIUWZYULUQGN-UHFFFAOYSA-N 1 0 249.701 3.069 10 0 BGAERO Cc1cc(C)cc(Nc2cc(N)cc[nH+]2)c1 ZINC000043568763 177910455 /nfs/dbraw/zinc/91/04/55/177910455.db2.gz QNYDXFUGHULENM-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Cc1cccc(Nc2cc(N)cc[nH+]2)c1C ZINC000043568781 179158921 /nfs/dbraw/zinc/15/89/21/179158921.db2.gz DDUSYFCHAMSEFW-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Cc1ccc(Nc2cc(N)cc[nH+]2)cc1C ZINC000043568784 178781241 /nfs/dbraw/zinc/78/12/41/178781241.db2.gz OZGAPHBFTZOUPV-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO CC(C)Oc1ccc(Nc2cc(N)cc[nH+]2)cc1 ZINC000043568807 167297042 /nfs/dbraw/zinc/29/70/42/167297042.db2.gz DLOOAEYBLSKTMO-UHFFFAOYSA-N 1 0 243.310 3.195 10 0 BGAERO Nc1cc[nH+]c(Nc2ccc(F)cc2Cl)c1 ZINC000043568810 181763932 /nfs/dbraw/zinc/76/39/32/181763932.db2.gz PPYDQVOWXWGHNP-UHFFFAOYSA-N 1 0 237.665 3.200 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1Nc1cc(N)cc[nH+]1 ZINC000043569135 170968234 /nfs/dbraw/zinc/96/82/34/170968234.db2.gz TYUARUPMOBQNAS-PWSUYJOCSA-N 1 0 219.332 3.045 10 0 BGAERO CC[C@H](Nc1cc(N)cc[nH+]1)c1cccs1 ZINC000043569206 343170628 /nfs/dbraw/zinc/17/06/28/343170628.db2.gz LRNNSBCMVKLZKB-JTQLQIEISA-N 1 0 233.340 3.289 10 0 BGAERO CC[C@@H](Nc1cc(N)cc[nH+]1)c1cccs1 ZINC000043569207 343170683 /nfs/dbraw/zinc/17/06/83/343170683.db2.gz LRNNSBCMVKLZKB-SNVBAGLBSA-N 1 0 233.340 3.289 10 0 BGAERO Cc1ccc([C@@H](C)Nc2cc(N)cc[nH+]2)cc1 ZINC000043569220 343170661 /nfs/dbraw/zinc/17/06/61/343170661.db2.gz KESKKBHQLOSKQK-LLVKDONJSA-N 1 0 227.311 3.145 10 0 BGAERO Cc1ccc([C@H](C)Nc2cc(N)cc[nH+]2)cc1 ZINC000043569221 343170690 /nfs/dbraw/zinc/17/06/90/343170690.db2.gz KESKKBHQLOSKQK-NSHDSACASA-N 1 0 227.311 3.145 10 0 BGAERO CC(C)(C)CC(C)(C)Nc1cc(N)cc[nH+]1 ZINC000043569325 343171826 /nfs/dbraw/zinc/17/18/26/343171826.db2.gz DHBDKKWGUDYTDX-UHFFFAOYSA-N 1 0 221.348 3.291 10 0 BGAERO Cc1ccc(Oc2cc(N)ccn2)c(C)c1 ZINC000043569370 343172014 /nfs/dbraw/zinc/17/20/14/343172014.db2.gz SOWOWNJSYGCEKK-UHFFFAOYSA-N 1 0 214.268 3.073 10 0 BGAERO CCCC[C@H]([NH3+])c1nc2c(cccc2C)[nH]1 ZINC000043598521 169008475 /nfs/dbraw/zinc/00/84/75/169008475.db2.gz MBYBLTWLXDCZDM-JTQLQIEISA-N 1 0 217.316 3.061 10 0 BGAERO CC(C)(c1ccccc1)[C@@H]([NH3+])c1ccco1 ZINC000043606919 188295657 /nfs/dbraw/zinc/29/56/57/188295657.db2.gz RJAYMMMFQIVLOC-ZDUSSCGKSA-N 1 0 215.296 3.257 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccccc2C)c(C)o1 ZINC000043611240 178238027 /nfs/dbraw/zinc/23/80/27/178238027.db2.gz RHZYSWSTLWHJMJ-AWEZNQCLSA-N 1 0 215.296 3.253 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccccc2C)c(C)o1 ZINC000043611241 178262022 /nfs/dbraw/zinc/26/20/22/178262022.db2.gz RHZYSWSTLWHJMJ-CQSZACIVSA-N 1 0 215.296 3.253 10 0 BGAERO Cc1cc([C@H]([NH3+])CC2CCCC2)c(C)o1 ZINC000043611242 178262151 /nfs/dbraw/zinc/26/21/51/178262151.db2.gz IGYXYCOSXURHPG-CYBMUJFWSA-N 1 0 207.317 3.477 10 0 BGAERO Cc1cc([C@@H]([NH3+])CC2CCCC2)c(C)o1 ZINC000043611243 178235965 /nfs/dbraw/zinc/23/59/65/178235965.db2.gz IGYXYCOSXURHPG-ZDUSSCGKSA-N 1 0 207.317 3.477 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2cccc(C)c2)c(C)o1 ZINC000043611266 179201097 /nfs/dbraw/zinc/20/10/97/179201097.db2.gz WSQWIWMQKNPNMC-AWEZNQCLSA-N 1 0 215.296 3.253 10 0 BGAERO Cc1cc([C@H]([NH3+])c2cccc(C)c2)c(C)o1 ZINC000043611267 179187363 /nfs/dbraw/zinc/18/73/63/179187363.db2.gz WSQWIWMQKNPNMC-CQSZACIVSA-N 1 0 215.296 3.253 10 0 BGAERO Cc1cc([C@H]([NH3+])c2cccc(F)c2)c(C)o1 ZINC000043611288 178262180 /nfs/dbraw/zinc/26/21/80/178262180.db2.gz ASJWIKGWXCODOR-CYBMUJFWSA-N 1 0 219.259 3.084 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2cccc(F)c2)c(C)o1 ZINC000043611291 178237503 /nfs/dbraw/zinc/23/75/03/178237503.db2.gz ASJWIKGWXCODOR-ZDUSSCGKSA-N 1 0 219.259 3.084 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccsc2)c(C)o1 ZINC000043611336 178263038 /nfs/dbraw/zinc/26/30/38/178263038.db2.gz AJAVQCHAWCGYJU-LLVKDONJSA-N 1 0 207.298 3.006 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccsc2)c(C)o1 ZINC000043611337 178237012 /nfs/dbraw/zinc/23/70/12/178237012.db2.gz AJAVQCHAWCGYJU-NSHDSACASA-N 1 0 207.298 3.006 10 0 BGAERO Cc1cccnc1[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000043616533 179397156 /nfs/dbraw/zinc/39/71/56/179397156.db2.gz BTSYSCQXUFOQIM-LBPRGKRZSA-N 1 0 232.714 3.092 10 0 BGAERO Cc1cccnc1[C@H]([NH3+])c1ccccc1Cl ZINC000043616542 179398410 /nfs/dbraw/zinc/39/84/10/179398410.db2.gz YQNQTCNXLXXCHO-GFCCVEGCSA-N 1 0 232.714 3.092 10 0 BGAERO Cc1cccnc1[C@@H]([NH3+])c1ccccc1Cl ZINC000043616543 179397999 /nfs/dbraw/zinc/39/79/99/179397999.db2.gz YQNQTCNXLXXCHO-LBPRGKRZSA-N 1 0 232.714 3.092 10 0 BGAERO Cc1cccnc1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000043618820 179398343 /nfs/dbraw/zinc/39/83/43/179398343.db2.gz BTSYSCQXUFOQIM-GFCCVEGCSA-N 1 0 232.714 3.092 10 0 BGAERO C[NH2+][C@@H]1c2cc(Cl)cc(Cl)c2O[C@@H]1C ZINC000043634492 343632271 /nfs/dbraw/zinc/63/22/71/343632271.db2.gz RFCQDXSWBOBTOF-ANLVUFKYSA-N 1 0 232.110 3.035 10 0 BGAERO C[NH2+][C@@H]1c2cc(Cl)cc(Cl)c2O[C@H]1C ZINC000043634494 343631887 /nfs/dbraw/zinc/63/18/87/343631887.db2.gz RFCQDXSWBOBTOF-CDUCUWFYSA-N 1 0 232.110 3.035 10 0 BGAERO C[NH2+][C@H]1c2cc(Cl)cc(Cl)c2O[C@@H]1C ZINC000043634497 343632275 /nfs/dbraw/zinc/63/22/75/343632275.db2.gz RFCQDXSWBOBTOF-MLUIRONXSA-N 1 0 232.110 3.035 10 0 BGAERO C[NH2+][C@H]1c2cc(Cl)cc(Cl)c2O[C@H]1C ZINC000043634499 343632161 /nfs/dbraw/zinc/63/21/61/343632161.db2.gz RFCQDXSWBOBTOF-SSDLBLMSSA-N 1 0 232.110 3.035 10 0 BGAERO C[NH2+][C@@H]1c2c(c(Cl)ccc2Cl)O[C@@H]1C ZINC000043634536 343632098 /nfs/dbraw/zinc/63/20/98/343632098.db2.gz ZIKOXHUFJGWAES-ANLVUFKYSA-N 1 0 232.110 3.035 10 0 BGAERO C[NH2+][C@@H]1c2c(c(Cl)ccc2Cl)O[C@H]1C ZINC000043634537 343632238 /nfs/dbraw/zinc/63/22/38/343632238.db2.gz ZIKOXHUFJGWAES-CDUCUWFYSA-N 1 0 232.110 3.035 10 0 BGAERO C[NH2+][C@H]1c2c(c(Cl)ccc2Cl)O[C@@H]1C ZINC000043634539 343632287 /nfs/dbraw/zinc/63/22/87/343632287.db2.gz ZIKOXHUFJGWAES-MLUIRONXSA-N 1 0 232.110 3.035 10 0 BGAERO C[NH2+][C@H]1c2c(c(Cl)ccc2Cl)O[C@H]1C ZINC000043634541 343632039 /nfs/dbraw/zinc/63/20/39/343632039.db2.gz ZIKOXHUFJGWAES-SSDLBLMSSA-N 1 0 232.110 3.035 10 0 BGAERO C[NH2+][C@H]1c2c(c(C)ccc2C)S[C@H]1C ZINC000043635639 343633376 /nfs/dbraw/zinc/63/33/76/343633376.db2.gz AEONYEOJSMESEL-GXSJLCMTSA-N 1 0 207.342 3.058 10 0 BGAERO C[NH2+][C@@H]1c2c(c(C)ccc2C)S[C@H]1C ZINC000043635642 343633146 /nfs/dbraw/zinc/63/31/46/343633146.db2.gz AEONYEOJSMESEL-ONGXEEELSA-N 1 0 207.342 3.058 10 0 BGAERO C[NH2+][C@H]1c2c(c(C)ccc2C)S[C@@H]1C ZINC000043635645 343633332 /nfs/dbraw/zinc/63/33/32/343633332.db2.gz AEONYEOJSMESEL-MWLCHTKSSA-N 1 0 207.342 3.058 10 0 BGAERO C[NH2+][C@@H]1c2c(c(C)ccc2C)S[C@@H]1C ZINC000043635648 343479639 /nfs/dbraw/zinc/47/96/39/343479639.db2.gz AEONYEOJSMESEL-KOLCDFICSA-N 1 0 207.342 3.058 10 0 BGAERO C[NH2+][C@@H]1c2cc(Cl)ccc2S[C@@H]1C ZINC000043635687 384290128 /nfs/dbraw/zinc/29/01/28/384290128.db2.gz UVAHOTMGVURWBN-LDWIPMOCSA-N 1 0 213.733 3.095 10 0 BGAERO C[NH2+][C@@H]1c2cc(Cl)ccc2S[C@H]1C ZINC000043635689 384728272 /nfs/dbraw/zinc/72/82/72/384728272.db2.gz UVAHOTMGVURWBN-WKEGUHRASA-N 1 0 213.733 3.095 10 0 BGAERO C[NH2+][C@H]1c2cc(Cl)ccc2S[C@@H]1C ZINC000043635692 173468935 /nfs/dbraw/zinc/46/89/35/173468935.db2.gz UVAHOTMGVURWBN-LHLIQPBNSA-N 1 0 213.733 3.095 10 0 BGAERO C[NH2+][C@H]1c2cc(Cl)ccc2S[C@H]1C ZINC000043635695 384728914 /nfs/dbraw/zinc/72/89/14/384728914.db2.gz UVAHOTMGVURWBN-QUBYGPBYSA-N 1 0 213.733 3.095 10 0 BGAERO CC[NH2+][C@@H]1c2cc(Cl)ccc2S[C@@H]1C ZINC000043635713 343633069 /nfs/dbraw/zinc/63/30/69/343633069.db2.gz ISJJGZYOVHBTOC-HQJQHLMTSA-N 1 0 227.760 3.485 10 0 BGAERO CC[NH2+][C@H]1c2cc(Cl)ccc2S[C@@H]1C ZINC000043635715 343632952 /nfs/dbraw/zinc/63/29/52/343632952.db2.gz ISJJGZYOVHBTOC-RDDDGLTNSA-N 1 0 227.760 3.485 10 0 BGAERO CC[NH2+][C@@H]1c2cc(Cl)ccc2S[C@H]1C ZINC000043635717 343633263 /nfs/dbraw/zinc/63/32/63/343633263.db2.gz ISJJGZYOVHBTOC-CPCISQLKSA-N 1 0 227.760 3.485 10 0 BGAERO CC[NH2+][C@H]1c2cc(Cl)ccc2S[C@H]1C ZINC000043635718 343633352 /nfs/dbraw/zinc/63/33/52/343633352.db2.gz ISJJGZYOVHBTOC-WRWORJQWSA-N 1 0 227.760 3.485 10 0 BGAERO C[NH2+][C@@H]1c2cccc(Cl)c2S[C@@H]1C ZINC000043635720 384729358 /nfs/dbraw/zinc/72/93/58/384729358.db2.gz YCZVGLGEMFOJAM-MUWHJKNJSA-N 1 0 213.733 3.095 10 0 BGAERO C[NH2+][C@@H]1c2cccc(Cl)c2S[C@H]1C ZINC000043635722 384729851 /nfs/dbraw/zinc/72/98/51/384729851.db2.gz YCZVGLGEMFOJAM-RCOVLWMOSA-N 1 0 213.733 3.095 10 0 BGAERO C[NH2+][C@H]1c2cccc(Cl)c2S[C@@H]1C ZINC000043635724 384728357 /nfs/dbraw/zinc/72/83/57/384728357.db2.gz YCZVGLGEMFOJAM-HZGVNTEJSA-N 1 0 213.733 3.095 10 0 BGAERO C[NH2+][C@H]1c2cccc(Cl)c2S[C@H]1C ZINC000043635725 384727545 /nfs/dbraw/zinc/72/75/45/384727545.db2.gz YCZVGLGEMFOJAM-IMTBSYHQSA-N 1 0 213.733 3.095 10 0 BGAERO CC[NH2+][C@@H]1c2cccc(Cl)c2S[C@@H]1C ZINC000043635743 343633296 /nfs/dbraw/zinc/63/32/96/343633296.db2.gz KMKNRNHIVROHIO-XCBNKYQSSA-N 1 0 227.760 3.485 10 0 BGAERO CC[NH2+][C@H]1c2cccc(Cl)c2S[C@@H]1C ZINC000043635745 343633140 /nfs/dbraw/zinc/63/31/40/343633140.db2.gz KMKNRNHIVROHIO-GMSGAONNSA-N 1 0 227.760 3.485 10 0 BGAERO CC[NH2+][C@@H]1c2cccc(Cl)c2S[C@H]1C ZINC000043635747 343632994 /nfs/dbraw/zinc/63/29/94/343632994.db2.gz KMKNRNHIVROHIO-XVKPBYJWSA-N 1 0 227.760 3.485 10 0 BGAERO CC[NH2+][C@H]1c2cccc(Cl)c2S[C@H]1C ZINC000043635749 343633336 /nfs/dbraw/zinc/63/33/36/343633336.db2.gz KMKNRNHIVROHIO-OIBJUYFYSA-N 1 0 227.760 3.485 10 0 BGAERO C[C@H]1Sc2c(c(Cl)ccc2Cl)[C@H]1[NH3+] ZINC000043635845 343633049 /nfs/dbraw/zinc/63/30/49/343633049.db2.gz TVEAQJMIDVHYQI-VHWMUFPASA-N 1 0 234.151 3.487 10 0 BGAERO C[C@@H]1Sc2c(c(Cl)ccc2Cl)[C@H]1[NH3+] ZINC000043635846 343633379 /nfs/dbraw/zinc/63/33/79/343633379.db2.gz TVEAQJMIDVHYQI-NVNXEXLPSA-N 1 0 234.151 3.487 10 0 BGAERO C[C@H]1Sc2c(c(Cl)ccc2Cl)[C@@H]1[NH3+] ZINC000043635848 343633021 /nfs/dbraw/zinc/63/30/21/343633021.db2.gz TVEAQJMIDVHYQI-SPGJFGJESA-N 1 0 234.151 3.487 10 0 BGAERO C[C@@H]1Sc2c(c(Cl)ccc2Cl)[C@@H]1[NH3+] ZINC000043635850 343633385 /nfs/dbraw/zinc/63/33/85/343633385.db2.gz TVEAQJMIDVHYQI-RNHFCUEFSA-N 1 0 234.151 3.487 10 0 BGAERO C[NH2+][C@H]1c2cc(C)cc(C)c2S[C@H]1C ZINC000043635926 343633177 /nfs/dbraw/zinc/63/31/77/343633177.db2.gz XYSSJMHQRKIWFH-GXSJLCMTSA-N 1 0 207.342 3.058 10 0 BGAERO C[NH2+][C@@H]1c2cc(C)cc(C)c2S[C@H]1C ZINC000043635928 343633339 /nfs/dbraw/zinc/63/33/39/343633339.db2.gz XYSSJMHQRKIWFH-ONGXEEELSA-N 1 0 207.342 3.058 10 0 BGAERO C[NH2+][C@H]1c2cc(C)cc(C)c2S[C@@H]1C ZINC000043635929 343633315 /nfs/dbraw/zinc/63/33/15/343633315.db2.gz XYSSJMHQRKIWFH-MWLCHTKSSA-N 1 0 207.342 3.058 10 0 BGAERO C[NH2+][C@@H]1c2cc(C)cc(C)c2S[C@@H]1C ZINC000043635931 343633245 /nfs/dbraw/zinc/63/32/45/343633245.db2.gz XYSSJMHQRKIWFH-KOLCDFICSA-N 1 0 207.342 3.058 10 0 BGAERO CC[NH2+][C@@H]1c2cccc(C)c2S[C@@H]1C ZINC000043636204 343633275 /nfs/dbraw/zinc/63/32/75/343633275.db2.gz RHZQSRHWOWWONB-KOLCDFICSA-N 1 0 207.342 3.140 10 0 BGAERO CC[NH2+][C@H]1c2cccc(C)c2S[C@@H]1C ZINC000043636205 343633301 /nfs/dbraw/zinc/63/33/01/343633301.db2.gz RHZQSRHWOWWONB-MWLCHTKSSA-N 1 0 207.342 3.140 10 0 BGAERO CC[NH2+][C@@H]1c2cccc(C)c2S[C@H]1C ZINC000043636206 343633288 /nfs/dbraw/zinc/63/32/88/343633288.db2.gz RHZQSRHWOWWONB-ONGXEEELSA-N 1 0 207.342 3.140 10 0 BGAERO CC[NH2+][C@H]1c2cccc(C)c2S[C@H]1C ZINC000043636207 343633199 /nfs/dbraw/zinc/63/31/99/343633199.db2.gz RHZQSRHWOWWONB-GXSJLCMTSA-N 1 0 207.342 3.140 10 0 BGAERO CCC[NH2+][C@@H]1c2ccccc2S[C@@H]1C ZINC000043642032 343652928 /nfs/dbraw/zinc/65/29/28/343652928.db2.gz RBJHWZGEMCJCFK-SKDRFNHKSA-N 1 0 207.342 3.222 10 0 BGAERO CCC[NH2+][C@H]1c2ccccc2S[C@@H]1C ZINC000043642033 343653029 /nfs/dbraw/zinc/65/30/29/343653029.db2.gz RBJHWZGEMCJCFK-BXKDBHETSA-N 1 0 207.342 3.222 10 0 BGAERO CCC[NH2+][C@@H]1c2ccccc2S[C@H]1C ZINC000043642034 343652842 /nfs/dbraw/zinc/65/28/42/343652842.db2.gz RBJHWZGEMCJCFK-CABZTGNLSA-N 1 0 207.342 3.222 10 0 BGAERO CCC[NH2+][C@H]1c2ccccc2S[C@H]1C ZINC000043642035 343653039 /nfs/dbraw/zinc/65/30/39/343653039.db2.gz RBJHWZGEMCJCFK-JOYOIKCWSA-N 1 0 207.342 3.222 10 0 BGAERO CC[NH2+][C@H]1c2ccccc2CC[C@H]1CC ZINC000043649302 170169496 /nfs/dbraw/zinc/16/94/96/170169496.db2.gz ONGANYLQEHVDRV-BXUZGUMPSA-N 1 0 203.329 3.310 10 0 BGAERO CC[NH2+][C@H]1c2ccccc2CC[C@@H]1CC ZINC000043649304 170169503 /nfs/dbraw/zinc/16/95/03/170169503.db2.gz ONGANYLQEHVDRV-SMDDNHRTSA-N 1 0 203.329 3.310 10 0 BGAERO CC[NH2+][C@@H]1c2ccccc2CC[C@H]1CC ZINC000043649305 170155509 /nfs/dbraw/zinc/15/55/09/170155509.db2.gz ONGANYLQEHVDRV-RISCZKNCSA-N 1 0 203.329 3.310 10 0 BGAERO CC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CC ZINC000043649307 170155219 /nfs/dbraw/zinc/15/52/19/170155219.db2.gz ONGANYLQEHVDRV-FZMZJTMJSA-N 1 0 203.329 3.310 10 0 BGAERO C[NH2+][C@@H]1CCCCC[C@@H]1Cc1cccs1 ZINC000043650830 173431764 /nfs/dbraw/zinc/43/17/64/173431764.db2.gz VIEIXCGJEISJPQ-DGCLKSJQSA-N 1 0 223.385 3.459 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])[C@H](Cc2ccsc2)C1 ZINC000043652394 343696755 /nfs/dbraw/zinc/69/67/55/343696755.db2.gz WQUKHQNSYXVYGI-USWWRNFRSA-N 1 0 209.358 3.054 10 0 BGAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2ccsc2)C1 ZINC000043652398 343696867 /nfs/dbraw/zinc/69/68/67/343696867.db2.gz WQUKHQNSYXVYGI-ADEWGFFLSA-N 1 0 209.358 3.054 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])[C@H](CCOc2ccccc2)C1 ZINC000043652550 176229007 /nfs/dbraw/zinc/22/90/07/176229007.db2.gz CMMZIJHHHBQAMQ-NFAWXSAZSA-N 1 0 233.355 3.219 10 0 BGAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](CCOc2ccccc2)C1 ZINC000043652552 176208634 /nfs/dbraw/zinc/20/86/34/176208634.db2.gz CMMZIJHHHBQAMQ-UMVBOHGHSA-N 1 0 233.355 3.219 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Cc1sccc1Br ZINC000043676168 175812977 /nfs/dbraw/zinc/81/29/77/175812977.db2.gz LAMBIAKBFQKYKZ-RNFRBKRXSA-N 1 0 248.189 3.036 10 0 BGAERO C[C@H](Cc1cc(Br)cs1)[C@H](C)[NH3+] ZINC000043688028 343700602 /nfs/dbraw/zinc/70/06/02/343700602.db2.gz DBOOGUMNWIEILQ-RQJHMYQMSA-N 1 0 248.189 3.036 10 0 BGAERO CCC[NH2+][C@@H](C)CN(CC)C1CCCCC1 ZINC000043804281 169274419 /nfs/dbraw/zinc/27/44/19/169274419.db2.gz NUOLOOPQNADIQP-ZDUSSCGKSA-N 1 0 226.408 3.029 10 0 BGAERO CCC[NH2+][C@H](C)CN(CC)C1CCCCC1 ZINC000043804284 169285816 /nfs/dbraw/zinc/28/58/16/169285816.db2.gz NUOLOOPQNADIQP-CYBMUJFWSA-N 1 0 226.408 3.029 10 0 BGAERO CC[NH2+][C@@H]1CCCCCC[C@@H]1N1CCCCC1 ZINC000043814199 170150861 /nfs/dbraw/zinc/15/08/61/170150861.db2.gz SLUWJYWNBRBHIN-CABCVRRESA-N 1 0 238.419 3.173 10 0 BGAERO CC[NH2+][C@H]1CCCCCC[C@@H]1N1CCCCC1 ZINC000043814201 170166311 /nfs/dbraw/zinc/16/63/11/170166311.db2.gz SLUWJYWNBRBHIN-GJZGRUSLSA-N 1 0 238.419 3.173 10 0 BGAERO CC[NH2+][C@@H]1CCCCCC[C@H]1N1CCCCC1 ZINC000043814203 170150511 /nfs/dbraw/zinc/15/05/11/170150511.db2.gz SLUWJYWNBRBHIN-HUUCEWRRSA-N 1 0 238.419 3.173 10 0 BGAERO CC[NH2+][C@H]1CCCCCC[C@H]1N1CCCCC1 ZINC000043814205 170165748 /nfs/dbraw/zinc/16/57/48/170165748.db2.gz SLUWJYWNBRBHIN-LSDHHAIUSA-N 1 0 238.419 3.173 10 0 BGAERO CCC[NH2+][C@@H](C)CN(CC)c1ccccc1C ZINC000043817327 169275137 /nfs/dbraw/zinc/27/51/37/169275137.db2.gz SIYAUFZDXYEQQH-AWEZNQCLSA-N 1 0 234.387 3.209 10 0 BGAERO CCC[NH2+][C@H](C)CN(CC)c1ccccc1C ZINC000043817329 169286292 /nfs/dbraw/zinc/28/62/92/169286292.db2.gz SIYAUFZDXYEQQH-CQSZACIVSA-N 1 0 234.387 3.209 10 0 BGAERO CCC[NH2+][C@@H](C)CN(C)C1CCC(CC)CC1 ZINC000043969003 169274851 /nfs/dbraw/zinc/27/48/51/169274851.db2.gz VIQFJIHJJMLASL-NFOMZHRRSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+][C@H](C)CN(C)C1CCC(CC)CC1 ZINC000043969004 169286161 /nfs/dbraw/zinc/28/61/61/169286161.db2.gz VIQFJIHJJMLASL-WLYUNCDWSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+][C@@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000044039486 344379301 /nfs/dbraw/zinc/37/93/01/344379301.db2.gz SPPFQYNMKNYURO-CABCVRRESA-N 1 0 233.355 3.124 10 0 BGAERO CC[NH2+][C@H]1CCCC[C@@H]1OCc1ccccc1 ZINC000044039489 344379332 /nfs/dbraw/zinc/37/93/32/344379332.db2.gz SPPFQYNMKNYURO-GJZGRUSLSA-N 1 0 233.355 3.124 10 0 BGAERO CC[NH2+][C@@H]1CCCC[C@H]1OCc1ccccc1 ZINC000044039492 398313046 /nfs/dbraw/zinc/31/30/46/398313046.db2.gz SPPFQYNMKNYURO-HUUCEWRRSA-N 1 0 233.355 3.124 10 0 BGAERO CC[NH2+][C@H]1CCCC[C@H]1OCc1ccccc1 ZINC000044039495 398312989 /nfs/dbraw/zinc/31/29/89/398312989.db2.gz SPPFQYNMKNYURO-LSDHHAIUSA-N 1 0 233.355 3.124 10 0 BGAERO CCC[NH2+][C@@H](CC)[C@@H](C)OCc1ccccc1 ZINC000044039658 398313015 /nfs/dbraw/zinc/31/30/15/398313015.db2.gz ZNLAHJYNANRETQ-HIFRSBDPSA-N 1 0 235.371 3.370 10 0 BGAERO CCC[NH2+][C@H](CC)[C@@H](C)OCc1ccccc1 ZINC000044039661 398313043 /nfs/dbraw/zinc/31/30/43/398313043.db2.gz ZNLAHJYNANRETQ-UKRRQHHQSA-N 1 0 235.371 3.370 10 0 BGAERO CCC[NH2+][C@@H](CC)[C@H](C)OCc1ccccc1 ZINC000044039664 398313167 /nfs/dbraw/zinc/31/31/67/398313167.db2.gz ZNLAHJYNANRETQ-ZFWWWQNUSA-N 1 0 235.371 3.370 10 0 BGAERO CCC[NH2+][C@H](CC)[C@H](C)OCc1ccccc1 ZINC000044039667 398313145 /nfs/dbraw/zinc/31/31/45/398313145.db2.gz ZNLAHJYNANRETQ-DZGCQCFKSA-N 1 0 235.371 3.370 10 0 BGAERO CC[NH2+][C@@H](C)COc1ccccc1C(F)(F)F ZINC000044046652 170140348 /nfs/dbraw/zinc/14/03/48/170140348.db2.gz OUYHOGWVBHTSEL-VIFPVBQESA-N 1 0 247.260 3.082 10 0 BGAERO CC[NH2+][C@H](C)COc1ccccc1C(F)(F)F ZINC000044046656 170158151 /nfs/dbraw/zinc/15/81/51/170158151.db2.gz OUYHOGWVBHTSEL-SECBINFHSA-N 1 0 247.260 3.082 10 0 BGAERO CCC[NH2+][C@@H](C)COc1c(C)cccc1C ZINC000044048255 169275238 /nfs/dbraw/zinc/27/52/38/169275238.db2.gz FTLOWZYCQWQJCP-ZDUSSCGKSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+][C@H](C)COc1c(C)cccc1C ZINC000044048259 169286196 /nfs/dbraw/zinc/28/61/96/169286196.db2.gz FTLOWZYCQWQJCP-CYBMUJFWSA-N 1 0 221.344 3.070 10 0 BGAERO CC[NH2+][C@@H](C)COc1cccc2ccccc21 ZINC000044057165 170140242 /nfs/dbraw/zinc/14/02/42/170140242.db2.gz BZGOBPSRIHSWCY-LBPRGKRZSA-N 1 0 229.323 3.217 10 0 BGAERO CC[NH2+][C@H](C)COc1cccc2ccccc21 ZINC000044057167 170157652 /nfs/dbraw/zinc/15/76/52/170157652.db2.gz BZGOBPSRIHSWCY-GFCCVEGCSA-N 1 0 229.323 3.217 10 0 BGAERO CCC[NH2+][C@@H](C)COc1cc(C)cc(C)c1C ZINC000044069997 169275196 /nfs/dbraw/zinc/27/51/96/169275196.db2.gz AHFUGTAZXAVXCU-ZDUSSCGKSA-N 1 0 235.371 3.379 10 0 BGAERO CCC[NH2+][C@H](C)COc1cc(C)cc(C)c1C ZINC000044069998 169286309 /nfs/dbraw/zinc/28/63/09/169286309.db2.gz AHFUGTAZXAVXCU-CYBMUJFWSA-N 1 0 235.371 3.379 10 0 BGAERO CCCCCCO[C@@H]1CCC[C@@H]1[NH2+]CC ZINC000044098625 168671267 /nfs/dbraw/zinc/67/12/67/168671267.db2.gz QWINJHMLLJXWAF-QWHCGFSZSA-N 1 0 213.365 3.114 10 0 BGAERO CCCCCCO[C@@H]1CCC[C@H]1[NH2+]CC ZINC000044098631 168671695 /nfs/dbraw/zinc/67/16/95/168671695.db2.gz QWINJHMLLJXWAF-CHWSQXEVSA-N 1 0 213.365 3.114 10 0 BGAERO CCC[NH2+][C@@H](C)COc1c(C)ccc(C)c1C ZINC000044100704 169274693 /nfs/dbraw/zinc/27/46/93/169274693.db2.gz GDGJRBSZYHQOFG-ZDUSSCGKSA-N 1 0 235.371 3.379 10 0 BGAERO CCC[NH2+][C@H](C)COc1c(C)ccc(C)c1C ZINC000044100705 169285771 /nfs/dbraw/zinc/28/57/71/169285771.db2.gz GDGJRBSZYHQOFG-CYBMUJFWSA-N 1 0 235.371 3.379 10 0 BGAERO CC[NH2+][C@@H](C)COc1cc(C(C)C)ccc1C ZINC000044108659 170140335 /nfs/dbraw/zinc/14/03/35/170140335.db2.gz GLFZCVIONPFARQ-ZDUSSCGKSA-N 1 0 235.371 3.495 10 0 BGAERO CC[NH2+][C@H](C)COc1cc(C(C)C)ccc1C ZINC000044108662 170158154 /nfs/dbraw/zinc/15/81/54/170158154.db2.gz GLFZCVIONPFARQ-CYBMUJFWSA-N 1 0 235.371 3.495 10 0 BGAERO CCC[NH2+][C@@H](C)COc1c(C)cc(C)cc1C ZINC000044108965 169274310 /nfs/dbraw/zinc/27/43/10/169274310.db2.gz AOKFOUUJBJHYOA-AWEZNQCLSA-N 1 0 235.371 3.379 10 0 BGAERO CCC[NH2+][C@H](C)COc1c(C)cc(C)cc1C ZINC000044108969 169286229 /nfs/dbraw/zinc/28/62/29/169286229.db2.gz AOKFOUUJBJHYOA-CQSZACIVSA-N 1 0 235.371 3.379 10 0 BGAERO CCc1ccc([C@@H](O)C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000044116184 171835249 /nfs/dbraw/zinc/83/52/49/171835249.db2.gz WKVJDKYXOCRLTP-BBRMVZONSA-N 1 0 247.382 3.157 10 0 BGAERO CCC[NH+](CCC)C[C@H](O)c1ccc(C)cc1C ZINC000044120006 169148540 /nfs/dbraw/zinc/14/85/40/169148540.db2.gz QMCSNLJAMCMAIA-INIZCTEOSA-N 1 0 249.398 3.459 10 0 BGAERO CCC[NH+](CCC)C[C@@H](O)c1ccc(C)cc1C ZINC000044120010 169148664 /nfs/dbraw/zinc/14/86/64/169148664.db2.gz QMCSNLJAMCMAIA-MRXNPFEDSA-N 1 0 249.398 3.459 10 0 BGAERO CCC[NH+](CCC)C[C@H](O)c1ccc(CC)cc1 ZINC000044120061 169149037 /nfs/dbraw/zinc/14/90/37/169149037.db2.gz QLPNMRXGBDEDOH-INIZCTEOSA-N 1 0 249.398 3.404 10 0 BGAERO CCC[NH+](CCC)C[C@@H](O)c1ccc(CC)cc1 ZINC000044120065 169149614 /nfs/dbraw/zinc/14/96/14/169149614.db2.gz QLPNMRXGBDEDOH-MRXNPFEDSA-N 1 0 249.398 3.404 10 0 BGAERO Cc1ccc([C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000044120461 178912495 /nfs/dbraw/zinc/91/24/95/178912495.db2.gz LMBVEGRQHGWWGU-MRXNPFEDSA-N 1 0 247.382 3.293 10 0 BGAERO CCCC[N@H+](C)C[C@H](O)c1ccc(C)cc1C ZINC000044122800 168777346 /nfs/dbraw/zinc/77/73/46/168777346.db2.gz GHHHSDOTMCNBJY-HNNXBMFYSA-N 1 0 235.371 3.069 10 0 BGAERO CCCC[N@H+](C)C[C@@H](O)c1c(C)cc(C)cc1C ZINC000044122816 168775039 /nfs/dbraw/zinc/77/50/39/168775039.db2.gz YPTRPGMCKUCHFK-OAHLLOKOSA-N 1 0 249.398 3.377 10 0 BGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@@H]1O ZINC000044123409 344398277 /nfs/dbraw/zinc/39/82/77/344398277.db2.gz XOTILWYRJFVHAX-CVEARBPZSA-N 1 0 247.382 3.202 10 0 BGAERO C[N@H+](Cc1ccccc1)[C@H]1CCCCCC[C@@H]1O ZINC000044123414 344398258 /nfs/dbraw/zinc/39/82/58/344398258.db2.gz XOTILWYRJFVHAX-HOTGVXAUSA-N 1 0 247.382 3.202 10 0 BGAERO CCCC[N@H+](CC)C[C@@H](O)c1ccc(C)cc1C ZINC000044124162 168800238 /nfs/dbraw/zinc/80/02/38/168800238.db2.gz XBRCAGJTFJFOTB-MRXNPFEDSA-N 1 0 249.398 3.459 10 0 BGAERO CCC[N@H+](C)C[C@H](O)c1ccc2ccccc2c1 ZINC000044127437 639653277 /nfs/dbraw/zinc/65/32/77/639653277.db2.gz CUKJTOHUIOBAGK-INIZCTEOSA-N 1 0 243.350 3.215 10 0 BGAERO CCC[N@H+](C)C[C@@H](O)c1ccc2ccccc2c1 ZINC000044127439 639653027 /nfs/dbraw/zinc/65/30/27/639653027.db2.gz CUKJTOHUIOBAGK-MRXNPFEDSA-N 1 0 243.350 3.215 10 0 BGAERO CC[N@H+](C[C@H](O)c1cc2ccccc2o1)C(C)C ZINC000044128262 639652832 /nfs/dbraw/zinc/65/28/32/639652832.db2.gz ZCJHAYBFZVXPQZ-ZDUSSCGKSA-N 1 0 247.338 3.197 10 0 BGAERO CC[C@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(C)cc1 ZINC000044128845 171607474 /nfs/dbraw/zinc/60/74/74/171607474.db2.gz XUCXXCXXWNJNLG-HOTGVXAUSA-N 1 0 247.382 3.293 10 0 BGAERO CC(C)C[N@H+](C)C[C@H](O)c1cc2ccccc2o1 ZINC000044129677 639653377 /nfs/dbraw/zinc/65/33/77/639653377.db2.gz YIOPQZWRRPBKHR-ZDUSSCGKSA-N 1 0 247.338 3.054 10 0 BGAERO CCCC[C@@H](CC)C[n+]1ccc(N(C)C)cc1 ZINC000044136246 344400989 /nfs/dbraw/zinc/40/09/89/344400989.db2.gz BNYOVYDDCVLOKI-CQSZACIVSA-N 1 0 235.395 3.257 10 0 BGAERO CCCC[C@H](CC)C[n+]1ccc(N(C)C)cc1 ZINC000044136249 344400699 /nfs/dbraw/zinc/40/06/99/344400699.db2.gz BNYOVYDDCVLOKI-AWEZNQCLSA-N 1 0 235.395 3.257 10 0 BGAERO [NH3+]CC1(c2ccc(F)cc2Cl)CCCC1 ZINC000044249277 181363000 /nfs/dbraw/zinc/36/30/00/181363000.db2.gz FWJHJPZXPUJOOW-UHFFFAOYSA-N 1 0 227.710 3.250 10 0 BGAERO Clc1cccc([C@@H]2CC[NH2+]2)c1Cl ZINC000044257379 343496508 /nfs/dbraw/zinc/49/65/08/343496508.db2.gz JJKNSJYXKGDLJZ-QMMMGPOBSA-N 1 0 202.084 3.028 10 0 in-vitro BGAERO Clc1cccc([C@H]2CC[NH2+]2)c1Cl ZINC000044257383 343496787 /nfs/dbraw/zinc/49/67/87/343496787.db2.gz JJKNSJYXKGDLJZ-MRVPVSSYSA-N 1 0 202.084 3.028 10 0 in-vitro BGAERO Clc1ccc([C@@H]2CC[NH2+]2)cc1Cl ZINC000044257387 343496469 /nfs/dbraw/zinc/49/64/69/343496469.db2.gz WXQSHVBJFOMUDS-VIFPVBQESA-N 1 0 202.084 3.028 10 0 in-vitro BGAERO Clc1ccc([C@H]2CC[NH2+]2)cc1Cl ZINC000044257391 180585161 /nfs/dbraw/zinc/58/51/61/180585161.db2.gz WXQSHVBJFOMUDS-SECBINFHSA-N 1 0 202.084 3.028 10 0 in-vitro BGAERO c1ccc(COc2cccc([C@@H]3CC[NH2+]3)c2)cc1 ZINC000044257859 344996551 /nfs/dbraw/zinc/99/65/51/344996551.db2.gz CSJJCUIFUJQECR-INIZCTEOSA-N 1 0 239.318 3.300 10 0 BGAERO c1ccc(COc2cccc([C@H]3CC[NH2+]3)c2)cc1 ZINC000044257863 344996312 /nfs/dbraw/zinc/99/63/12/344996312.db2.gz CSJJCUIFUJQECR-MRXNPFEDSA-N 1 0 239.318 3.300 10 0 BGAERO FC(F)(F)Sc1ccc([C@@H]2CC[NH2+]2)cc1 ZINC000044257900 343496601 /nfs/dbraw/zinc/49/66/01/343496601.db2.gz GWWLHOGCMDFUKP-VIFPVBQESA-N 1 0 233.258 3.333 10 0 BGAERO FC(F)(F)Sc1ccc([C@H]2CC[NH2+]2)cc1 ZINC000044257905 344996778 /nfs/dbraw/zinc/99/67/78/344996778.db2.gz GWWLHOGCMDFUKP-SECBINFHSA-N 1 0 233.258 3.333 10 0 BGAERO c1ccc2c(c1)Cc1cc([C@@H]3CC[NH2+]3)ccc1-2 ZINC000044257918 344996273 /nfs/dbraw/zinc/99/62/73/344996273.db2.gz ACHWTQCOLZGKGX-INIZCTEOSA-N 1 0 221.303 3.292 10 0 BGAERO c1ccc2c(c1)Cc1cc([C@H]3CC[NH2+]3)ccc1-2 ZINC000044257922 344996962 /nfs/dbraw/zinc/99/69/62/344996962.db2.gz ACHWTQCOLZGKGX-MRXNPFEDSA-N 1 0 221.303 3.292 10 0 BGAERO Cc1ccc2sc(CCC[NH3+])cc2c1 ZINC000044282382 178990530 /nfs/dbraw/zinc/99/05/30/178990530.db2.gz RRZXQDNSMMSARI-UHFFFAOYSA-N 1 0 205.326 3.101 10 0 BGAERO CC[C@H]([NH3+])Cc1csc2ccccc12 ZINC000044400175 384678652 /nfs/dbraw/zinc/67/86/52/384678652.db2.gz XYQNSOARIBRDGY-JTQLQIEISA-N 1 0 205.326 3.181 10 0 BGAERO CC[C@@H]([NH3+])Cc1csc2ccccc12 ZINC000044400177 170866116 /nfs/dbraw/zinc/86/61/16/170866116.db2.gz XYQNSOARIBRDGY-SNVBAGLBSA-N 1 0 205.326 3.181 10 0 BGAERO CC[C@@H]([NH3+])Cc1c[nH]c2ccc(Cl)cc12 ZINC000044400569 170866444 /nfs/dbraw/zinc/86/64/44/170866444.db2.gz LBURKXNSAFJELW-SNVBAGLBSA-N 1 0 222.719 3.101 10 0 BGAERO CCc1cccc2c(C[C@H]([NH3+])CC)c[nH]c21 ZINC000044407005 343499720 /nfs/dbraw/zinc/49/97/20/343499720.db2.gz BKOXXFSLIPCHEB-GFCCVEGCSA-N 1 0 216.328 3.010 10 0 BGAERO CCc1cccc2c(C[C@@H]([NH3+])CC)c[nH]c21 ZINC000044407008 343075569 /nfs/dbraw/zinc/07/55/69/343075569.db2.gz BKOXXFSLIPCHEB-LBPRGKRZSA-N 1 0 216.328 3.010 10 0 BGAERO C[C@@H]1CCCC[C@@H]1N(C)c1ccccc1C[NH3+] ZINC000044415237 176079064 /nfs/dbraw/zinc/07/90/64/176079064.db2.gz FFGJNVZIIZDEDC-OCCSQVGLSA-N 1 0 232.371 3.160 10 0 BGAERO C[C@H]1CCCC[C@@H]1N(C)c1ccccc1C[NH3+] ZINC000044415238 177081789 /nfs/dbraw/zinc/08/17/89/177081789.db2.gz FFGJNVZIIZDEDC-JSGCOSHPSA-N 1 0 232.371 3.160 10 0 BGAERO C[C@@H]1CCCC[C@H]1N(C)c1ccccc1C[NH3+] ZINC000044415239 176086290 /nfs/dbraw/zinc/08/62/90/176086290.db2.gz FFGJNVZIIZDEDC-TZMCWYRMSA-N 1 0 232.371 3.160 10 0 BGAERO C[C@H]1CCCC[C@H]1N(C)c1ccccc1C[NH3+] ZINC000044415240 177086819 /nfs/dbraw/zinc/08/68/19/177086819.db2.gz FFGJNVZIIZDEDC-GXTWGEPZSA-N 1 0 232.371 3.160 10 0 BGAERO c1ccc(C[NH2+][C@@H]2C[C@H]2c2ccccc2)cc1 ZINC000044423889 358408510 /nfs/dbraw/zinc/40/85/10/358408510.db2.gz MCBSQMCGSGMJHA-JKSUJKDBSA-N 1 0 223.319 3.332 10 0 BGAERO C[C@@H]([NH3+])Cc1ccc(-c2ccc(F)cc2)cc1 ZINC000044460847 175807440 /nfs/dbraw/zinc/80/74/40/175807440.db2.gz BZAPDULYJLWPEM-LLVKDONJSA-N 1 0 229.298 3.382 10 0 BGAERO COc1cccc(-c2ccc(C[C@H](C)[NH3+])cc2)c1 ZINC000044461081 175234211 /nfs/dbraw/zinc/23/42/11/175234211.db2.gz RBQFLLSDZDVNEE-LBPRGKRZSA-N 1 0 241.334 3.252 10 0 BGAERO COc1cccc(-c2ccc(C[C@@H](C)[NH3+])cc2)c1 ZINC000044461082 175234145 /nfs/dbraw/zinc/23/41/45/175234145.db2.gz RBQFLLSDZDVNEE-GFCCVEGCSA-N 1 0 241.334 3.252 10 0 BGAERO C[C@H]([NH3+])Cc1ccc(-c2cccc(F)c2)cc1 ZINC000044461185 176761824 /nfs/dbraw/zinc/76/18/24/176761824.db2.gz OXYYYAJCRWLGPC-NSHDSACASA-N 1 0 229.298 3.382 10 0 BGAERO C[C@@H]([NH3+])Cc1ccc(-c2cccc(F)c2)cc1 ZINC000044461186 175807067 /nfs/dbraw/zinc/80/70/67/175807067.db2.gz OXYYYAJCRWLGPC-LLVKDONJSA-N 1 0 229.298 3.382 10 0 BGAERO C[NH2+][C@@H]1c2ccccc2C[C@@H]1Cc1ccccc1 ZINC000044467651 173439610 /nfs/dbraw/zinc/43/96/10/173439610.db2.gz RDGMKYIGXCXXRP-RDJZCZTQSA-N 1 0 237.346 3.362 10 0 BGAERO C[NH2+][C@@H]1c2ccccc2C[C@H]1Cc1ccccc1 ZINC000044467657 173439276 /nfs/dbraw/zinc/43/92/76/173439276.db2.gz RDGMKYIGXCXXRP-WBVHZDCISA-N 1 0 237.346 3.362 10 0 BGAERO CCOCC[C@H]1CCCc2ccccc2[C@@H]1[NH3+] ZINC000044468026 170428043 /nfs/dbraw/zinc/42/80/43/170428043.db2.gz CYPODJSPDGHJBX-UKRRQHHQSA-N 1 0 233.355 3.066 10 0 BGAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@@H]1CCOC ZINC000044468128 170155339 /nfs/dbraw/zinc/15/53/39/170155339.db2.gz XRFPZXVMLNSJRX-ZBFHGGJFSA-N 1 0 247.382 3.326 10 0 BGAERO CC[NH2+][C@H]1c2ccccc2CCC[C@@H]1CCOC ZINC000044468131 170169510 /nfs/dbraw/zinc/16/95/10/170169510.db2.gz XRFPZXVMLNSJRX-GDBMZVCRSA-N 1 0 247.382 3.326 10 0 BGAERO CC[NH2+][C@@H]1c2ccccc2CCC[C@H]1CCOC ZINC000044468135 170154938 /nfs/dbraw/zinc/15/49/38/170154938.db2.gz XRFPZXVMLNSJRX-HOCLYGCPSA-N 1 0 247.382 3.326 10 0 BGAERO CC[NH2+][C@H]1c2ccccc2CCC[C@H]1CCOC ZINC000044468138 170169434 /nfs/dbraw/zinc/16/94/34/170169434.db2.gz XRFPZXVMLNSJRX-GOEBONIOSA-N 1 0 247.382 3.326 10 0 BGAERO CC[NH2+][C@@H](C)COc1cccc(C(C)(C)C)c1 ZINC000044473392 170140415 /nfs/dbraw/zinc/14/04/15/170140415.db2.gz CPBUBIGOUPUZRK-LBPRGKRZSA-N 1 0 235.371 3.361 10 0 BGAERO CC[NH2+][C@H](C)COc1cccc(C(C)(C)C)c1 ZINC000044473395 170157932 /nfs/dbraw/zinc/15/79/32/170157932.db2.gz CPBUBIGOUPUZRK-GFCCVEGCSA-N 1 0 235.371 3.361 10 0 BGAERO COC[C@H](C)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000044478126 174534195 /nfs/dbraw/zinc/53/41/95/174534195.db2.gz KNTYMQPQIRCDEZ-UPJWGTAASA-N 1 0 227.392 3.073 10 0 BGAERO COC[C@H](C)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000044478128 358549676 /nfs/dbraw/zinc/54/96/76/358549676.db2.gz KNTYMQPQIRCDEZ-XQQFMLRXSA-N 1 0 227.392 3.073 10 0 BGAERO COC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000044478130 358549982 /nfs/dbraw/zinc/54/99/82/358549982.db2.gz KNTYMQPQIRCDEZ-JHJVBQTASA-N 1 0 227.392 3.073 10 0 BGAERO COC[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000044478131 358550000 /nfs/dbraw/zinc/55/00/00/358550000.db2.gz KNTYMQPQIRCDEZ-YNEHKIRRSA-N 1 0 227.392 3.073 10 0 BGAERO COC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000044478208 384652245 /nfs/dbraw/zinc/65/22/45/384652245.db2.gz RJBLLDYHNDFQPT-GBJTYRQASA-N 1 0 241.419 3.319 10 0 BGAERO COC[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000044478210 322840907 /nfs/dbraw/zinc/84/09/07/322840907.db2.gz RJBLLDYHNDFQPT-APIJFGDWSA-N 1 0 241.419 3.319 10 0 BGAERO COC[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000044478212 384652682 /nfs/dbraw/zinc/65/26/82/384652682.db2.gz RJBLLDYHNDFQPT-LJISPDSOSA-N 1 0 241.419 3.319 10 0 BGAERO [NH3+][C@H](CC(F)(F)F)c1cccc(Cl)c1 ZINC000044569006 538989709 /nfs/dbraw/zinc/98/97/09/538989709.db2.gz FNBSELVAROMLHW-MRVPVSSYSA-N 1 0 223.625 3.292 10 0 BGAERO [NH3+][C@@H](CC(F)(F)F)c1cccc(Cl)c1 ZINC000044569009 538989767 /nfs/dbraw/zinc/98/97/67/538989767.db2.gz FNBSELVAROMLHW-QMMMGPOBSA-N 1 0 223.625 3.292 10 0 BGAERO Cc1cccnc1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000044569174 179397678 /nfs/dbraw/zinc/39/76/78/179397678.db2.gz BLYUXTHBKPYXTN-GFCCVEGCSA-N 1 0 232.714 3.092 10 0 BGAERO Cc1cccnc1[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000044569177 179397210 /nfs/dbraw/zinc/39/72/10/179397210.db2.gz BLYUXTHBKPYXTN-LBPRGKRZSA-N 1 0 232.714 3.092 10 0 BGAERO CCC[NH2+]Cc1nc2cc(C)ccc2n1C1CC1 ZINC000044623801 169269388 /nfs/dbraw/zinc/26/93/88/169269388.db2.gz RAPAVYPWYKNBBD-UHFFFAOYSA-N 1 0 243.354 3.179 10 0 BGAERO CC[NH2+]Cc1nc2cccc(Cl)c2n1C1CC1 ZINC000044624140 170132165 /nfs/dbraw/zinc/13/21/65/170132165.db2.gz WQEZUWPOQIGBHY-UHFFFAOYSA-N 1 0 249.745 3.134 10 0 BGAERO CC[NH2+]Cc1nc2cc(Cl)ccc2s1 ZINC000044625506 170131695 /nfs/dbraw/zinc/13/16/95/170131695.db2.gz IIGHALSBRMYNJL-UHFFFAOYSA-N 1 0 226.732 3.059 10 0 BGAERO CC[NH2+]Cc1nc2cccc(Cl)c2s1 ZINC000044625566 170131508 /nfs/dbraw/zinc/13/15/08/170131508.db2.gz ORFUXHWRRHWFFP-UHFFFAOYSA-N 1 0 226.732 3.059 10 0 BGAERO COCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000044655255 384658556 /nfs/dbraw/zinc/65/85/56/384658556.db2.gz LTUHQASJVKJVDY-RRFJBIMHSA-N 1 0 241.419 3.463 10 0 BGAERO COCCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000044655258 322842488 /nfs/dbraw/zinc/84/24/88/322842488.db2.gz LTUHQASJVKJVDY-QLFBSQMISA-N 1 0 241.419 3.463 10 0 BGAERO COCCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000044655261 384657962 /nfs/dbraw/zinc/65/79/62/384657962.db2.gz LTUHQASJVKJVDY-SOUVJXGZSA-N 1 0 241.419 3.463 10 0 BGAERO COCCCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000044656241 174203652 /nfs/dbraw/zinc/20/36/52/174203652.db2.gz XLKCCPDDTITAFZ-OLZOCXBDSA-N 1 0 227.392 3.217 10 0 BGAERO COCCCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000044656249 174201760 /nfs/dbraw/zinc/20/17/60/174201760.db2.gz XLKCCPDDTITAFZ-CHWSQXEVSA-N 1 0 227.392 3.217 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1ccccn1 ZINC000044674024 343511388 /nfs/dbraw/zinc/51/13/88/343511388.db2.gz VZJCESGYTDERAT-BJJXKVORSA-N 1 0 238.334 3.288 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1cccnc1 ZINC000044674042 343511670 /nfs/dbraw/zinc/51/16/70/343511670.db2.gz JIJJAINHAGTAOW-MAZHCROVSA-N 1 0 238.334 3.288 10 0 BGAERO CCOC[C@@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000044688507 387943016 /nfs/dbraw/zinc/94/30/16/387943016.db2.gz MMMWJIIUPVRFTP-CZUORRHYSA-N 1 0 247.382 3.469 10 0 BGAERO CCOC[C@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000044688509 387942787 /nfs/dbraw/zinc/94/27/87/387942787.db2.gz MMMWJIIUPVRFTP-XJKSGUPXSA-N 1 0 247.382 3.469 10 0 BGAERO CCOC[C@@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000044688512 323827626 /nfs/dbraw/zinc/82/76/26/323827626.db2.gz MMMWJIIUPVRFTP-CJNGLKHVSA-N 1 0 247.382 3.469 10 0 BGAERO CCOC[C@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000044688515 323828089 /nfs/dbraw/zinc/82/80/89/323828089.db2.gz MMMWJIIUPVRFTP-BBRMVZONSA-N 1 0 247.382 3.469 10 0 BGAERO CCOC[C@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000044689636 387688984 /nfs/dbraw/zinc/68/89/84/387688984.db2.gz AKOUELVTSXZVGY-RWMBFGLXSA-N 1 0 227.392 3.216 10 0 BGAERO CCOC[C@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000044689639 387687994 /nfs/dbraw/zinc/68/79/94/387687994.db2.gz AKOUELVTSXZVGY-AVGNSLFASA-N 1 0 227.392 3.216 10 0 BGAERO CCOC[C@@H](C)[NH2+][C@H](C)c1ccc(CC)cc1 ZINC000044689719 640450818 /nfs/dbraw/zinc/45/08/18/640450818.db2.gz NZUJYLWGBOSIKT-CHWSQXEVSA-N 1 0 235.371 3.325 10 0 BGAERO CCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(CC)cc1 ZINC000044689721 170431667 /nfs/dbraw/zinc/43/16/67/170431667.db2.gz NZUJYLWGBOSIKT-OLZOCXBDSA-N 1 0 235.371 3.325 10 0 BGAERO Cc1cc([C@@H](C)Nc2cc[nH+]cc2)c(C)o1 ZINC000044730935 178234692 /nfs/dbraw/zinc/23/46/92/178234692.db2.gz ZZNYQDDMRBJYAL-SNVBAGLBSA-N 1 0 216.284 3.465 10 0 BGAERO Cc1cc([C@H](C)Nc2cc[nH+]cc2)c(C)o1 ZINC000044730936 178259386 /nfs/dbraw/zinc/25/93/86/178259386.db2.gz ZZNYQDDMRBJYAL-JTQLQIEISA-N 1 0 216.284 3.465 10 0 BGAERO Cc1cc([C@@H](C)NC2=[NH+]CCCS2)c(C)o1 ZINC000044731050 178222540 /nfs/dbraw/zinc/22/25/40/178222540.db2.gz KTRWZDMYFDTNHT-SECBINFHSA-N 1 0 238.356 3.040 10 0 BGAERO Cc1cc([C@H](C)NC2=[NH+]CCCS2)c(C)o1 ZINC000044731051 178245304 /nfs/dbraw/zinc/24/53/04/178245304.db2.gz KTRWZDMYFDTNHT-VIFPVBQESA-N 1 0 238.356 3.040 10 0 BGAERO Cc1cc([C@@H](C)NC2=[NH+]C[C@H](C)S2)c(C)o1 ZINC000044731062 178221749 /nfs/dbraw/zinc/22/17/49/178221749.db2.gz ISCMYVURUFCSHL-DTWKUNHWSA-N 1 0 238.356 3.038 10 0 BGAERO Cc1cc([C@H](C)NC2=[NH+]C[C@H](C)S2)c(C)o1 ZINC000044731063 178245231 /nfs/dbraw/zinc/24/52/31/178245231.db2.gz ISCMYVURUFCSHL-IUCAKERBSA-N 1 0 238.356 3.038 10 0 BGAERO Cc1cc([C@@H](C)NC2=[NH+]C[C@@H](C)S2)c(C)o1 ZINC000044731064 178222679 /nfs/dbraw/zinc/22/26/79/178222679.db2.gz ISCMYVURUFCSHL-RKDXNWHRSA-N 1 0 238.356 3.038 10 0 BGAERO Cc1cc([C@H](C)NC2=[NH+]C[C@@H](C)S2)c(C)o1 ZINC000044731065 178245476 /nfs/dbraw/zinc/24/54/76/178245476.db2.gz ISCMYVURUFCSHL-BDAKNGLRSA-N 1 0 238.356 3.038 10 0 BGAERO Cc1cc([C@@H](C)NC2=[NH+][C@H](C)CS2)c(C)o1 ZINC000044731066 178223203 /nfs/dbraw/zinc/22/32/03/178223203.db2.gz RKROOCODEHJHRK-VXNVDRBHSA-N 1 0 238.356 3.038 10 0 BGAERO Cc1cc([C@H](C)NC2=[NH+][C@H](C)CS2)c(C)o1 ZINC000044731067 178246134 /nfs/dbraw/zinc/24/61/34/178246134.db2.gz RKROOCODEHJHRK-APPZFPTMSA-N 1 0 238.356 3.038 10 0 BGAERO Cc1cc([C@@H](C)NC2=[NH+][C@@H](C)CS2)c(C)o1 ZINC000044731068 178221854 /nfs/dbraw/zinc/22/18/54/178221854.db2.gz RKROOCODEHJHRK-IONNQARKSA-N 1 0 238.356 3.038 10 0 BGAERO Cc1cc([C@H](C)NC2=[NH+][C@@H](C)CS2)c(C)o1 ZINC000044731069 178245162 /nfs/dbraw/zinc/24/51/62/178245162.db2.gz RKROOCODEHJHRK-CBAPKCEASA-N 1 0 238.356 3.038 10 0 BGAERO [NH3+][C@@H]1CCCc2cc(OC/C=C/Cl)ccc21 ZINC000044732695 181585460 /nfs/dbraw/zinc/58/54/60/181585460.db2.gz SGEOVZPBBKDRFQ-DRRGCAIJSA-N 1 0 237.730 3.154 10 0 BGAERO CCC[NH2+][C@@H]1CCCc2cc(OCC)ccc21 ZINC000044745707 169282042 /nfs/dbraw/zinc/28/20/42/169282042.db2.gz HHJGBUBDHDTYOH-OAHLLOKOSA-N 1 0 233.355 3.462 10 0 BGAERO CCC[NH2+][C@H]1CCCc2cc(OCC)ccc21 ZINC000044745708 169291698 /nfs/dbraw/zinc/29/16/98/169291698.db2.gz HHJGBUBDHDTYOH-HNNXBMFYSA-N 1 0 233.355 3.462 10 0 BGAERO C[NH2+]Cc1cnc([C@H]2CCC[C@@H](C)C2)s1 ZINC000044981393 173392153 /nfs/dbraw/zinc/39/21/53/173392153.db2.gz YRWARNHQXHANIW-ZJUUUORDSA-N 1 0 224.373 3.156 10 0 BGAERO C[NH2+]Cc1cnc([C@H]2CCC[C@H](C)C2)s1 ZINC000044981395 173392529 /nfs/dbraw/zinc/39/25/29/173392529.db2.gz YRWARNHQXHANIW-UWVGGRQHSA-N 1 0 224.373 3.156 10 0 BGAERO C[NH2+]Cc1cnc([C@@H]2CCC[C@@H](C)C2)s1 ZINC000044981397 173392365 /nfs/dbraw/zinc/39/23/65/173392365.db2.gz YRWARNHQXHANIW-NXEZZACHSA-N 1 0 224.373 3.156 10 0 BGAERO C[NH2+]Cc1cnc([C@@H]2CCC[C@H](C)C2)s1 ZINC000044981399 173392001 /nfs/dbraw/zinc/39/20/01/173392001.db2.gz YRWARNHQXHANIW-VHSXEESVSA-N 1 0 224.373 3.156 10 0 BGAERO C[NH2+]Cc1csc([C@H]2CCC[C@@H](C)C2)n1 ZINC000044981440 173393115 /nfs/dbraw/zinc/39/31/15/173393115.db2.gz GGOFFAADNSUHFU-ZJUUUORDSA-N 1 0 224.373 3.156 10 0 BGAERO C[NH2+]Cc1csc([C@H]2CCC[C@H](C)C2)n1 ZINC000044981442 173392844 /nfs/dbraw/zinc/39/28/44/173392844.db2.gz GGOFFAADNSUHFU-UWVGGRQHSA-N 1 0 224.373 3.156 10 0 BGAERO C[NH2+]Cc1csc([C@@H]2CCC[C@@H](C)C2)n1 ZINC000044981444 173393839 /nfs/dbraw/zinc/39/38/39/173393839.db2.gz GGOFFAADNSUHFU-NXEZZACHSA-N 1 0 224.373 3.156 10 0 BGAERO C[NH2+]Cc1csc([C@@H]2CCC[C@H](C)C2)n1 ZINC000044981445 173393152 /nfs/dbraw/zinc/39/31/52/173393152.db2.gz GGOFFAADNSUHFU-VHSXEESVSA-N 1 0 224.373 3.156 10 0 BGAERO CC1CCC([C@H]([NH3+])c2cncc(F)c2)CC1 ZINC000044983626 187268372 /nfs/dbraw/zinc/26/83/72/187268372.db2.gz GFLANFGVRUYHSC-ZPPKWKGLSA-N 1 0 222.307 3.047 10 0 BGAERO CC1CCC([C@@H]([NH3+])c2cncc(F)c2)CC1 ZINC000044983628 188480380 /nfs/dbraw/zinc/48/03/80/188480380.db2.gz GFLANFGVRUYHSC-SRHKJQAYSA-N 1 0 222.307 3.047 10 0 BGAERO C[NH2+]Cc1cnc(C2CCC(C)CC2)s1 ZINC000044983961 173392290 /nfs/dbraw/zinc/39/22/90/173392290.db2.gz DCWWRYWOCVJGNJ-UHFFFAOYSA-N 1 0 224.373 3.156 10 0 BGAERO C[NH2+]Cc1csc(C2CCC(C)CC2)n1 ZINC000044983972 173393568 /nfs/dbraw/zinc/39/35/68/173393568.db2.gz KHGJMCKJIJSUTF-UHFFFAOYSA-N 1 0 224.373 3.156 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)cc1 ZINC000045044448 711825257 /nfs/dbraw/zinc/82/52/57/711825257.db2.gz JLWHIRNYUMOOQL-CVEARBPZSA-N 1 0 247.382 3.203 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000045044454 711825079 /nfs/dbraw/zinc/82/50/79/711825079.db2.gz JLWHIRNYUMOOQL-JKSUJKDBSA-N 1 0 247.382 3.203 10 0 BGAERO CC1(n2c(N)[nH+]c3ccccc32)CCCCC1 ZINC000045046368 168074090 /nfs/dbraw/zinc/07/40/90/168074090.db2.gz IECAQYINHHRBMD-UHFFFAOYSA-N 1 0 229.327 3.298 10 0 BGAERO CC1([NH2+]Cc2cccc(N)c2)CCCCC1 ZINC000045047225 168064631 /nfs/dbraw/zinc/06/46/31/168064631.db2.gz NNSQVKDROGWVPT-UHFFFAOYSA-N 1 0 218.344 3.081 10 0 BGAERO CC1([NH2+]Cc2ccccc2N)CCCCC1 ZINC000045047237 168064273 /nfs/dbraw/zinc/06/42/73/168064273.db2.gz HRCUSVOAGIFGRX-UHFFFAOYSA-N 1 0 218.344 3.081 10 0 BGAERO CCC[NH2+][C@@H](C)CN1CCC[C@@H]1C1CCCC1 ZINC000045073278 169275345 /nfs/dbraw/zinc/27/53/45/169275345.db2.gz DKXJYRXHRYCHRX-DZGCQCFKSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[NH2+][C@H](C)CN1CCC[C@@H]1C1CCCC1 ZINC000045073279 169286009 /nfs/dbraw/zinc/28/60/09/169286009.db2.gz DKXJYRXHRYCHRX-UKRRQHHQSA-N 1 0 238.419 3.029 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CCCC2)c1C ZINC000045166955 172248309 /nfs/dbraw/zinc/24/83/09/172248309.db2.gz PRNCWKQYYXQRIZ-SNVBAGLBSA-N 1 0 235.375 3.113 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]C2CCCC2)c1C ZINC000045166957 172249167 /nfs/dbraw/zinc/24/91/67/172249167.db2.gz PRNCWKQYYXQRIZ-JTQLQIEISA-N 1 0 235.375 3.113 10 0 BGAERO CCCCC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000045167050 358559740 /nfs/dbraw/zinc/55/97/40/358559740.db2.gz WXSPOEJIHYAJLE-NSHDSACASA-N 1 0 237.391 3.361 10 0 BGAERO CCCCC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000045167052 358559784 /nfs/dbraw/zinc/55/97/84/358559784.db2.gz WXSPOEJIHYAJLE-LLVKDONJSA-N 1 0 237.391 3.361 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC(C)C)c1C ZINC000045167317 172248961 /nfs/dbraw/zinc/24/89/61/172248961.db2.gz FSWWAYNGFODRJS-LLVKDONJSA-N 1 0 237.391 3.217 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CCC(C)C)c1C ZINC000045167319 172248198 /nfs/dbraw/zinc/24/81/98/172248198.db2.gz FSWWAYNGFODRJS-NSHDSACASA-N 1 0 237.391 3.217 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2CCCC2)c1C ZINC000045169574 172248245 /nfs/dbraw/zinc/24/82/45/172248245.db2.gz LFFWVJWHPORCPA-LLVKDONJSA-N 1 0 249.402 3.361 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CC2CCCC2)c1C ZINC000045169575 172248227 /nfs/dbraw/zinc/24/82/27/172248227.db2.gz LFFWVJWHPORCPA-NSHDSACASA-N 1 0 249.402 3.361 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C)c1C ZINC000045172069 172248740 /nfs/dbraw/zinc/24/87/40/172248740.db2.gz HQKHYTPFQLOHIH-SNVBAGLBSA-N 1 0 237.391 3.217 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CC(C)(C)C)c1C ZINC000045172071 172248997 /nfs/dbraw/zinc/24/89/97/172248997.db2.gz HQKHYTPFQLOHIH-JTQLQIEISA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@@H](C)c1nc(C)c(C(C)(C)C)s1 ZINC000045205554 170142475 /nfs/dbraw/zinc/14/24/75/170142475.db2.gz NLGNIAPMGRHXKX-VIFPVBQESA-N 1 0 226.389 3.420 10 0 BGAERO CC[NH2+][C@H](C)c1nc(C)c(C(C)(C)C)s1 ZINC000045205555 170160533 /nfs/dbraw/zinc/16/05/33/170160533.db2.gz NLGNIAPMGRHXKX-SECBINFHSA-N 1 0 226.389 3.420 10 0 BGAERO Cc1nc([C@H]([NH3+])C2CC2)sc1C(C)(C)C ZINC000045205567 180053029 /nfs/dbraw/zinc/05/30/29/180053029.db2.gz UPPJNFPTIYKMGG-SECBINFHSA-N 1 0 224.373 3.159 10 0 BGAERO Cc1nc([C@@H]([NH3+])C2CC2)sc1C(C)(C)C ZINC000045205568 180038988 /nfs/dbraw/zinc/03/89/88/180038988.db2.gz UPPJNFPTIYKMGG-VIFPVBQESA-N 1 0 224.373 3.159 10 0 BGAERO CC[NH2+]Cc1sc(-c2ccccc2)nc1C ZINC000045205690 170133031 /nfs/dbraw/zinc/13/30/31/170133031.db2.gz GCVLEAACDNCGMM-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO CC(C)[NH2+]Cc1nc2c(s1)Cc1ccccc1-2 ZINC000045205974 167121137 /nfs/dbraw/zinc/12/11/37/167121137.db2.gz QFGGTLZNCJGGNX-UHFFFAOYSA-N 1 0 244.363 3.212 10 0 BGAERO CC[NH2+]Cc1ncc(-c2ccccc2C)s1 ZINC000045206062 170131502 /nfs/dbraw/zinc/13/15/02/170131502.db2.gz HVZUZLPOIIACGB-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO CC[NH2+]Cc1ncc(-c2cccc(C)c2)s1 ZINC000045206063 170131332 /nfs/dbraw/zinc/13/13/32/170131332.db2.gz YBELEQDXTSRBCA-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO CC[NH2+]Cc1ncc(-c2ccc(C)cc2)s1 ZINC000045206064 170131614 /nfs/dbraw/zinc/13/16/14/170131614.db2.gz KVCNGKPAPVSICO-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO Cc1ccccc1-c1cnc(C[NH2+]C2CC2)s1 ZINC000045206074 179237253 /nfs/dbraw/zinc/23/72/53/179237253.db2.gz ZKRXQYDHEAEIOW-UHFFFAOYSA-N 1 0 244.363 3.371 10 0 BGAERO Cc1ccc(-c2cnc(C[NH2+]C3CC3)s2)cc1 ZINC000045206076 178328637 /nfs/dbraw/zinc/32/86/37/178328637.db2.gz BBLZBQDEJVBRCC-UHFFFAOYSA-N 1 0 244.363 3.371 10 0 BGAERO CC[NH2+]CCc1cc2ccccc2s1 ZINC000045206404 170117479 /nfs/dbraw/zinc/11/74/79/170117479.db2.gz KMEZDJODAQHMFI-UHFFFAOYSA-N 1 0 205.326 3.053 10 0 BGAERO CCC[NH2+]CCc1cc2ccccc2s1 ZINC000045206405 169261206 /nfs/dbraw/zinc/26/12/06/169261206.db2.gz ZYFHVXSBCVDKBM-UHFFFAOYSA-N 1 0 219.353 3.443 10 0 BGAERO [NH3+]CC1(c2nc3ccccc3s2)CCCCC1 ZINC000045206482 181364225 /nfs/dbraw/zinc/36/42/25/181364225.db2.gz NDOJYHZBKAPUQZ-UHFFFAOYSA-N 1 0 246.379 3.457 10 0 BGAERO Cc1ccc(-c2csc(C[NH2+]C3CC3)n2)cc1 ZINC000045206523 178329771 /nfs/dbraw/zinc/32/97/71/178329771.db2.gz ZQVQCRMGLAJYPG-UHFFFAOYSA-N 1 0 244.363 3.371 10 0 BGAERO CC[NH2+]Cc1nc(-c2cccc(C)c2)cs1 ZINC000045206562 170130961 /nfs/dbraw/zinc/13/09/61/170130961.db2.gz JSBVVOAQQVCWDZ-UHFFFAOYSA-N 1 0 232.352 3.228 10 0 BGAERO Cc1ccccc1-c1csc(C[NH2+]C2CC2)n1 ZINC000045206567 179236709 /nfs/dbraw/zinc/23/67/09/179236709.db2.gz YMIOFMQKGNVYBS-UHFFFAOYSA-N 1 0 244.363 3.371 10 0 BGAERO CC[NH2+][C@@H](CC)c1nc2ccccc2s1 ZINC000045206650 170144065 /nfs/dbraw/zinc/14/40/65/170144065.db2.gz YBRLFSKQZWFFTO-VIFPVBQESA-N 1 0 220.341 3.357 10 0 BGAERO CC[NH2+][C@H](CC)c1nc2ccccc2s1 ZINC000045206651 170161417 /nfs/dbraw/zinc/16/14/17/170161417.db2.gz YBRLFSKQZWFFTO-SECBINFHSA-N 1 0 220.341 3.357 10 0 BGAERO CC(C)c1cc([C@@H]2CCCCC[NH2+]2)no1 ZINC000045206778 167578937 /nfs/dbraw/zinc/57/89/37/167578937.db2.gz FSGMEHRMOGIRCK-JTQLQIEISA-N 1 0 208.305 3.003 10 0 BGAERO C1=N[C@H](c2nc3ccccc3s2)CC1 ZINC000045236067 188297726 /nfs/dbraw/zinc/29/77/26/188297726.db2.gz XBGIJRUYUQHEKX-VIFPVBQESA-N 1 0 202.282 3.202 10 0 BGAERO CCCC[C@H]1[NH2+]CCc2cc(Cl)c(O)cc21 ZINC000045284818 169015347 /nfs/dbraw/zinc/01/53/47/169015347.db2.gz ACJUSWFGYPTYCW-GFCCVEGCSA-N 1 0 239.746 3.423 10 0 BGAERO C[NH2+][C@H]1CCCC[C@H]1OCCCc1ccccc1 ZINC000045627447 173460645 /nfs/dbraw/zinc/46/06/45/173460645.db2.gz ZOLBOHSWWSXAIR-JKSUJKDBSA-N 1 0 247.382 3.166 10 0 BGAERO CCC[NH2+][C@@H](C)COCCCc1ccccc1 ZINC000045627642 169274172 /nfs/dbraw/zinc/27/41/72/169274172.db2.gz NHXFSGIAVHDKOU-AWEZNQCLSA-N 1 0 235.371 3.024 10 0 BGAERO CCC[NH2+][C@H](C)COCCCc1ccccc1 ZINC000045627643 169285988 /nfs/dbraw/zinc/28/59/88/169285988.db2.gz NHXFSGIAVHDKOU-CQSZACIVSA-N 1 0 235.371 3.024 10 0 BGAERO C[C@H]1[NH2+]Cc2c3c(sc2-n2cccc21)CCC3 ZINC000045796014 343534452 /nfs/dbraw/zinc/53/44/52/343534452.db2.gz WGVQDYNBUKQWKS-SECBINFHSA-N 1 0 244.363 3.192 10 0 BGAERO C[C@@H]1[NH2+]Cc2c3c(sc2-n2cccc21)CCC3 ZINC000045796015 384408167 /nfs/dbraw/zinc/40/81/67/384408167.db2.gz WGVQDYNBUKQWKS-VIFPVBQESA-N 1 0 244.363 3.192 10 0 BGAERO [NH3+]Cc1ccc(F)c(-c2ccccc2F)c1 ZINC000047204263 181483052 /nfs/dbraw/zinc/48/30/52/181483052.db2.gz MQEPOYPMNQPCBL-UHFFFAOYSA-N 1 0 219.234 3.091 10 0 BGAERO CC(C)CC[NH2+]C[C@@H](C)N1CCc2ccccc21 ZINC000047848591 134615733 /nfs/dbraw/zinc/61/57/33/134615733.db2.gz SLAARTJEYANBPO-CQSZACIVSA-N 1 0 246.398 3.073 10 0 BGAERO CCC[C@@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000047948569 169370598 /nfs/dbraw/zinc/37/05/98/169370598.db2.gz OMJBJIWMHOLJSL-LLVKDONJSA-N 1 0 245.326 3.015 10 0 BGAERO CCC[C@H](C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000047948571 384471230 /nfs/dbraw/zinc/47/12/30/384471230.db2.gz OMJBJIWMHOLJSL-NSHDSACASA-N 1 0 245.326 3.015 10 0 BGAERO CCC(C)(C)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000047948695 168299336 /nfs/dbraw/zinc/29/93/36/168299336.db2.gz HALVUFBYGLVDRP-UHFFFAOYSA-N 1 0 245.326 3.015 10 0 BGAERO c1ccc(CC[NH2+]CCC2=CCCCC2)nc1 ZINC000047979942 343569628 /nfs/dbraw/zinc/56/96/28/343569628.db2.gz WLEAIDXXRYQELM-UHFFFAOYSA-N 1 0 230.355 3.104 10 0 BGAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCc1ccncc1 ZINC000048261227 177113435 /nfs/dbraw/zinc/11/34/35/177113435.db2.gz MRSZGIDLDDKKBE-NNQSOWQGSA-N 1 0 232.371 3.038 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCc2ccncc2)CC(C)(C)C1 ZINC000048261482 387779539 /nfs/dbraw/zinc/77/95/39/387779539.db2.gz FZZABVHWZBTYCL-HIFRSBDPSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCc2ccncc2)CC(C)(C)C1 ZINC000048261483 177370347 /nfs/dbraw/zinc/37/03/47/177370347.db2.gz FZZABVHWZBTYCL-ZFWWWQNUSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCc2ccncc2)CC(C)(C)C1 ZINC000048261485 176376601 /nfs/dbraw/zinc/37/66/01/176376601.db2.gz FZZABVHWZBTYCL-UKRRQHHQSA-N 1 0 246.398 3.429 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCc2ccncc2)CC(C)(C)C1 ZINC000048261487 177331805 /nfs/dbraw/zinc/33/18/05/177331805.db2.gz FZZABVHWZBTYCL-DZGCQCFKSA-N 1 0 246.398 3.429 10 0 BGAERO CC[C@H](C)Oc1ccc(C[NH3+])c(C(F)(F)F)c1 ZINC000048263513 171356537 /nfs/dbraw/zinc/35/65/37/171356537.db2.gz KSIXFOJFCHKDNB-QMMMGPOBSA-N 1 0 247.260 3.341 10 0 BGAERO CC[C@H](C)Oc1ccc(C(F)(F)F)cc1C[NH3+] ZINC000048263517 171356111 /nfs/dbraw/zinc/35/61/11/171356111.db2.gz VYCSRBZCOKGABV-QMMMGPOBSA-N 1 0 247.260 3.341 10 0 BGAERO CC[C@H](C)OCc1cc([C@@H](C)[NH3+])ccc1OC ZINC000048264119 171355625 /nfs/dbraw/zinc/35/56/25/171355625.db2.gz HWHSPTMABULHDK-WDEREUQCSA-N 1 0 237.343 3.030 10 0 BGAERO CC[C@H](C)OCc1cc([C@H](C)[NH3+])ccc1OC ZINC000048264122 171355244 /nfs/dbraw/zinc/35/52/44/171355244.db2.gz HWHSPTMABULHDK-QWRGUYRKSA-N 1 0 237.343 3.030 10 0 BGAERO CC[C@H](C)OC[C@H]([NH3+])c1cc2ccccc2o1 ZINC000048264355 171355048 /nfs/dbraw/zinc/35/50/48/171355048.db2.gz QRSWUXGCQCUEES-JQWIXIFHSA-N 1 0 233.311 3.248 10 0 BGAERO CC[C@H](C)OC[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000048264359 171355695 /nfs/dbraw/zinc/35/56/95/171355695.db2.gz QRSWUXGCQCUEES-CMPLNLGQSA-N 1 0 233.311 3.248 10 0 BGAERO CC[C@H](C)OC[C@H]([NH3+])c1c(C)cc(C)cc1C ZINC000048264409 171355443 /nfs/dbraw/zinc/35/54/43/171355443.db2.gz NFQOCQPEBBTBRN-KBPBESRZSA-N 1 0 235.371 3.427 10 0 BGAERO CC[C@H](C)OC[C@@H]([NH3+])c1c(C)cc(C)cc1C ZINC000048264412 171355681 /nfs/dbraw/zinc/35/56/81/171355681.db2.gz NFQOCQPEBBTBRN-UONOGXRCSA-N 1 0 235.371 3.427 10 0 BGAERO CC[C@@H](C)Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000048264938 170766724 /nfs/dbraw/zinc/76/67/24/170766724.db2.gz JJEDRTMSFSXBSV-RKDXNWHRSA-N 1 0 211.280 3.023 10 0 BGAERO CC[C@H](C)Oc1ccc([C@@H](C)[NH3+])cc1F ZINC000048264940 171356046 /nfs/dbraw/zinc/35/60/46/171356046.db2.gz JJEDRTMSFSXBSV-DTWKUNHWSA-N 1 0 211.280 3.023 10 0 BGAERO CC[C@H](C)Oc1ccc([C@H](C)[NH3+])cc1F ZINC000048264944 171355822 /nfs/dbraw/zinc/35/58/22/171355822.db2.gz JJEDRTMSFSXBSV-IUCAKERBSA-N 1 0 211.280 3.023 10 0 BGAERO CC[C@H](C)Oc1ccc(F)cc1[C@@H](C)[NH3+] ZINC000048264947 171356254 /nfs/dbraw/zinc/35/62/54/171356254.db2.gz GCZJTQUXVSDGPV-DTWKUNHWSA-N 1 0 211.280 3.023 10 0 BGAERO CC[C@H](C)Oc1ccc(F)cc1[C@H](C)[NH3+] ZINC000048264951 171356371 /nfs/dbraw/zinc/35/63/71/171356371.db2.gz GCZJTQUXVSDGPV-IUCAKERBSA-N 1 0 211.280 3.023 10 0 BGAERO CC[C@H](C)Oc1cccc(F)c1[C@@H](C)[NH3+] ZINC000048264955 171356153 /nfs/dbraw/zinc/35/61/53/171356153.db2.gz WVAZLKULIIBAEM-DTWKUNHWSA-N 1 0 211.280 3.023 10 0 BGAERO CC[C@H](C)Oc1cccc(F)c1[C@H](C)[NH3+] ZINC000048264959 171356147 /nfs/dbraw/zinc/35/61/47/171356147.db2.gz WVAZLKULIIBAEM-IUCAKERBSA-N 1 0 211.280 3.023 10 0 BGAERO Cc1ccccc1CN1Cc2ccccc2C1=[NH2+] ZINC000048265881 179277075 /nfs/dbraw/zinc/27/70/75/179277075.db2.gz JDUYIJJPTORPRQ-UHFFFAOYSA-N 1 0 236.318 3.336 10 0 BGAERO Cc1cccc(CN2Cc3ccccc3C2=[NH2+])c1 ZINC000048266218 179084049 /nfs/dbraw/zinc/08/40/49/179084049.db2.gz IXCQLPQXRHRTOL-UHFFFAOYSA-N 1 0 236.318 3.336 10 0 BGAERO Cc1cccnc1NCCc1ccccc1 ZINC000048329929 188297208 /nfs/dbraw/zinc/29/72/08/188297208.db2.gz KBQICZPYAJTIOX-UHFFFAOYSA-N 1 0 212.296 3.045 10 0 BGAERO CC(C)CC[NH2+]Cc1c[nH]c2ccccc12 ZINC000048408723 166862572 /nfs/dbraw/zinc/86/25/72/166862572.db2.gz NHLNJTFBDXEYHK-UHFFFAOYSA-N 1 0 216.328 3.304 10 0 BGAERO Clc1ccc(CC[NH2+]Cc2ccc[nH]2)cc1 ZINC000048408938 180579049 /nfs/dbraw/zinc/57/90/49/180579049.db2.gz RRCVLMSRJHULBN-UHFFFAOYSA-N 1 0 234.730 3.000 10 0 BGAERO CC(C)OCCC[NH2+]Cc1c[nH]c2ccccc12 ZINC000048436024 167223368 /nfs/dbraw/zinc/22/33/68/167223368.db2.gz KFMKEMOPUZSVEA-UHFFFAOYSA-N 1 0 246.354 3.073 10 0 BGAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCOc1ccccc1 ZINC000048436496 177114173 /nfs/dbraw/zinc/11/41/73/177114173.db2.gz LELIACJRVXEZJB-MZBDJJRSSA-N 1 0 247.382 3.480 10 0 BGAERO c1coc(CC[NH2+]Cc2c[nH]c3ccccc23)c1 ZINC000048436723 183507058 /nfs/dbraw/zinc/50/70/58/183507058.db2.gz PEEDYCFQHZBTBF-UHFFFAOYSA-N 1 0 240.306 3.093 10 0 BGAERO CCC(CC)C[NH2+]CCOc1cccc(C)c1 ZINC000048437017 168359648 /nfs/dbraw/zinc/35/96/48/168359648.db2.gz XVJNYAXNHCKCAH-UHFFFAOYSA-N 1 0 235.371 3.400 10 0 BGAERO [NH3+][C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000048623241 343585041 /nfs/dbraw/zinc/58/50/41/343585041.db2.gz IEPFJYJWIRRJLA-RDDDGLTNSA-N 1 0 246.137 3.030 10 0 BGAERO [NH3+][C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 ZINC000048623245 343585143 /nfs/dbraw/zinc/58/51/43/343585143.db2.gz IEPFJYJWIRRJLA-HQJQHLMTSA-N 1 0 246.137 3.030 10 0 BGAERO [NH3+][C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000048623248 343585446 /nfs/dbraw/zinc/58/54/46/343585446.db2.gz IEPFJYJWIRRJLA-WRWORJQWSA-N 1 0 246.137 3.030 10 0 BGAERO [NH3+][C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 ZINC000048623251 343585185 /nfs/dbraw/zinc/58/51/85/343585185.db2.gz IEPFJYJWIRRJLA-CPCISQLKSA-N 1 0 246.137 3.030 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)sc1C)[C@@H]1CCOC1 ZINC000048624920 170147979 /nfs/dbraw/zinc/14/79/79/170147979.db2.gz FABBRXMVBBMMDI-DGCLKSJQSA-N 1 0 239.384 3.052 10 0 BGAERO CC[NH2+][C@H](c1cc(C)sc1C)[C@@H]1CCOC1 ZINC000048624923 170163169 /nfs/dbraw/zinc/16/31/69/170163169.db2.gz FABBRXMVBBMMDI-YPMHNXCESA-N 1 0 239.384 3.052 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)sc1C)[C@H]1CCOC1 ZINC000048624925 170147920 /nfs/dbraw/zinc/14/79/20/170147920.db2.gz FABBRXMVBBMMDI-WCQYABFASA-N 1 0 239.384 3.052 10 0 BGAERO CC[NH2+][C@H](c1cc(C)sc1C)[C@H]1CCOC1 ZINC000048624928 170163142 /nfs/dbraw/zinc/16/31/42/170163142.db2.gz FABBRXMVBBMMDI-AAEUAGOBSA-N 1 0 239.384 3.052 10 0 BGAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@@H]1CCOC1 ZINC000048624931 170147789 /nfs/dbraw/zinc/14/77/89/170147789.db2.gz WRNSDMMNXGBBOM-LDYMZIIASA-N 1 0 245.775 3.089 10 0 BGAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@@H]1CCOC1 ZINC000048624934 170164028 /nfs/dbraw/zinc/16/40/28/170164028.db2.gz WRNSDMMNXGBBOM-KCJUWKMLSA-N 1 0 245.775 3.089 10 0 BGAERO CC[NH2+][C@@H](c1ccc(Cl)s1)[C@H]1CCOC1 ZINC000048624936 170147200 /nfs/dbraw/zinc/14/72/00/170147200.db2.gz WRNSDMMNXGBBOM-GZMMTYOYSA-N 1 0 245.775 3.089 10 0 BGAERO CC[NH2+][C@H](c1ccc(Cl)s1)[C@H]1CCOC1 ZINC000048624939 170164350 /nfs/dbraw/zinc/16/43/50/170164350.db2.gz WRNSDMMNXGBBOM-KWQFWETISA-N 1 0 245.775 3.089 10 0 BGAERO [NH3+][C@H](c1ccc(Cl)cc1Cl)[C@H]1CCOC1 ZINC000048626448 181631134 /nfs/dbraw/zinc/63/11/34/181631134.db2.gz WSNPXCCTUBQWED-CPCISQLKSA-N 1 0 246.137 3.030 10 0 BGAERO COc1cc([C@@H](C)[NH3+])ccc1OCC1CCCC1 ZINC000048732332 175012885 /nfs/dbraw/zinc/01/28/85/175012885.db2.gz KCNJXMSNYWBOGN-LLVKDONJSA-N 1 0 249.354 3.284 10 0 BGAERO CSc1ccc(C[C@H](C)[NH2+]C(C)C)cc1 ZINC000049017020 187269024 /nfs/dbraw/zinc/26/90/24/187269024.db2.gz AXPWXKFQWMGHHC-NSHDSACASA-N 1 0 223.385 3.338 10 0 BGAERO CSc1ccc(C[C@H](C)[NH2+]C2CC2)cc1 ZINC000049017396 187269074 /nfs/dbraw/zinc/26/90/74/187269074.db2.gz FUPSDUNHOVTEQY-JTQLQIEISA-N 1 0 221.369 3.092 10 0 BGAERO CCSc1ccc(C[C@H](CC)[NH2+]C)cc1 ZINC000049112254 170654712 /nfs/dbraw/zinc/65/47/12/170654712.db2.gz RJYPFIMVTHGQEH-LBPRGKRZSA-N 1 0 223.385 3.339 10 0 BGAERO CCSc1ccc(C[C@@H](CC)[NH2+]C)cc1 ZINC000049112255 170654355 /nfs/dbraw/zinc/65/43/55/170654355.db2.gz RJYPFIMVTHGQEH-GFCCVEGCSA-N 1 0 223.385 3.339 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2cc[nH]n2)s1 ZINC000049161826 188124312 /nfs/dbraw/zinc/12/43/12/188124312.db2.gz FXAAXLPOHGDZPG-UWVGGRQHSA-N 1 0 235.356 3.191 10 0 BGAERO [NH2+]=C1c2ccccc2CN1CCc1ccsc1 ZINC000049184043 181207438 /nfs/dbraw/zinc/20/74/38/181207438.db2.gz BVQJSKSKLJFCBW-UHFFFAOYSA-N 1 0 242.347 3.132 10 0 BGAERO CC(C)[C@@H](CN(C)C)[NH2+]C1CCCCCCC1 ZINC000049195226 167395616 /nfs/dbraw/zinc/39/56/16/167395616.db2.gz VMISGHJZFJFHNW-OAHLLOKOSA-N 1 0 240.435 3.275 10 0 BGAERO CC(C)[C@H](CN(C)C)[NH2+]C1CCCCCCC1 ZINC000049195229 187270196 /nfs/dbraw/zinc/27/01/96/187270196.db2.gz VMISGHJZFJFHNW-HNNXBMFYSA-N 1 0 240.435 3.275 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049196137 179320814 /nfs/dbraw/zinc/32/08/14/179320814.db2.gz PMWUEDMNULHMDX-ZBFHGGJFSA-N 1 0 248.414 3.232 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049196141 179339725 /nfs/dbraw/zinc/33/97/25/179339725.db2.gz PMWUEDMNULHMDX-HOCLYGCPSA-N 1 0 248.414 3.232 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H](CN(C)C)C(C)C ZINC000049196144 179323480 /nfs/dbraw/zinc/32/34/80/179323480.db2.gz PMWUEDMNULHMDX-GDBMZVCRSA-N 1 0 248.414 3.232 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049196775 171296238 /nfs/dbraw/zinc/29/62/38/171296238.db2.gz FDTUUOMTXAROKN-ZNMIVQPWSA-N 1 0 242.451 3.377 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CN(C)C)C(C)C ZINC000049196781 171299548 /nfs/dbraw/zinc/29/95/48/171299548.db2.gz FDTUUOMTXAROKN-KKUMJFAQSA-N 1 0 242.451 3.377 10 0 BGAERO CC(C)[C@@H](CN(C)C)[NH2+][C@@H](C)C1CCCCC1 ZINC000049198539 167395243 /nfs/dbraw/zinc/39/52/43/167395243.db2.gz RLNSWXWVMORLTE-DZGCQCFKSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)[C@@H](CN(C)C)[NH2+][C@H](C)C1CCCCC1 ZINC000049198548 167395723 /nfs/dbraw/zinc/39/57/23/167395723.db2.gz RLNSWXWVMORLTE-UKRRQHHQSA-N 1 0 240.435 3.131 10 0 BGAERO Cc1ccc([C@@H](C)N2Cc3ccccc3C2=[NH2+])o1 ZINC000049217096 178834541 /nfs/dbraw/zinc/83/45/41/178834541.db2.gz FLUKJGIIKPHVKS-LLVKDONJSA-N 1 0 240.306 3.490 10 0 BGAERO [NH2+]=C1c2ccccc2CN1C(C1CC1)C1CC1 ZINC000049235765 181207326 /nfs/dbraw/zinc/20/73/26/181207326.db2.gz RXXWJEYOIGFPBD-UHFFFAOYSA-N 1 0 226.323 3.016 10 0 BGAERO CC(C)(C)CCN(CCC(N)=[NH2+])c1ccccc1 ZINC000049254860 166563903 /nfs/dbraw/zinc/56/39/03/166563903.db2.gz UHFGZYWKBCSQIY-UHFFFAOYSA-N 1 0 247.386 3.255 10 0 BGAERO C[C@@H]([NH3+])Cc1ccccc1OCCC(C)(C)C ZINC000049256185 175806958 /nfs/dbraw/zinc/80/69/58/175806958.db2.gz SKQLPVUKHASFSD-GFCCVEGCSA-N 1 0 235.371 3.391 10 0 BGAERO C[C@H]([NH3+])Cc1cccc(OCCC(C)(C)C)c1 ZINC000049256205 176762015 /nfs/dbraw/zinc/76/20/15/176762015.db2.gz BCXHWLJKJJGARG-LBPRGKRZSA-N 1 0 235.371 3.391 10 0 BGAERO C[NH2+][C@@H](Cc1cc(C)ccc1C)c1cccnc1 ZINC000049258187 173425171 /nfs/dbraw/zinc/42/51/71/173425171.db2.gz YEOCRRKZTNVSCE-INIZCTEOSA-N 1 0 240.350 3.202 10 0 BGAERO C[NH2+][C@H](Cc1cc(C)ccc1C)C[C@@H]1CCCO1 ZINC000049258236 173453822 /nfs/dbraw/zinc/45/38/22/173453822.db2.gz KISQLQAVOYFURQ-CVEARBPZSA-N 1 0 247.382 3.003 10 0 BGAERO C[NH2+][C@@H](Cc1cc(C)ccc1C)C[C@H]1CCCO1 ZINC000049258238 173424852 /nfs/dbraw/zinc/42/48/52/173424852.db2.gz KISQLQAVOYFURQ-JKSUJKDBSA-N 1 0 247.382 3.003 10 0 BGAERO C[NH2+][C@@H](Cc1cc(C)ccc1C)CC(F)(F)F ZINC000049258453 173424999 /nfs/dbraw/zinc/42/49/99/173424999.db2.gz ACNGUVBGZQTFKB-LBPRGKRZSA-N 1 0 245.288 3.386 10 0 BGAERO CCC[NH2+][C@H](CCOC)Cc1cc(C)ccc1C ZINC000049258478 169288874 /nfs/dbraw/zinc/28/88/74/169288874.db2.gz IUCYANMOQJYUJN-MRXNPFEDSA-N 1 0 249.398 3.251 10 0 BGAERO CC(C)CCOCC[NH2+][C@@H]1CCC[C@H](C)[C@H]1C ZINC000049265632 166877584 /nfs/dbraw/zinc/87/75/84/166877584.db2.gz RTIYBLYDPZANLU-RRFJBIMHSA-N 1 0 241.419 3.463 10 0 BGAERO c1cc(NCCC[NH+]2CCCC2)cc2c1CCC2 ZINC000049332297 183368949 /nfs/dbraw/zinc/36/89/49/183368949.db2.gz VVNQZKGKGBZIFJ-UHFFFAOYSA-N 1 0 244.382 3.073 10 0 BGAERO Cc1ccc(F)cc1NCCC[NH+]1CCCC1 ZINC000049332328 178690836 /nfs/dbraw/zinc/69/08/36/178690836.db2.gz YXKSYAZOSRECMI-UHFFFAOYSA-N 1 0 236.334 3.032 10 0 BGAERO Cc1cc(F)ccc1NCCC[NH+]1CCCC1 ZINC000049332339 178090219 /nfs/dbraw/zinc/09/02/19/178090219.db2.gz QBOMNLLYYTUCDC-UHFFFAOYSA-N 1 0 236.334 3.032 10 0 BGAERO CC(C)[C@@](C)([NH3+])Cc1c(F)cccc1Cl ZINC000049346574 187806718 /nfs/dbraw/zinc/80/67/18/187806718.db2.gz HPIBYZBWTKLGIG-LBPRGKRZSA-N 1 0 229.726 3.395 10 0 BGAERO [NH3+][C@H](Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000049348775 181624610 /nfs/dbraw/zinc/62/46/10/181624610.db2.gz OMCJAUCSPPPDMF-CQSZACIVSA-N 1 0 233.261 3.207 10 0 BGAERO C[NH2+][C@@H](Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000049349069 173424640 /nfs/dbraw/zinc/42/46/40/173424640.db2.gz CQDYQEMHBGOMRR-HNNXBMFYSA-N 1 0 247.288 3.468 10 0 BGAERO C[NH2+][C@H](Cc1cc(F)cc(F)c1)c1ccccc1 ZINC000049349073 173453823 /nfs/dbraw/zinc/45/38/23/173453823.db2.gz CQDYQEMHBGOMRR-OAHLLOKOSA-N 1 0 247.288 3.468 10 0 BGAERO CCn1c(C)c(C2CC[NH2+]CC2)c2ccccc21 ZINC000049453607 172134617 /nfs/dbraw/zinc/13/46/17/172134617.db2.gz RAWRYZGJMQSNSC-UHFFFAOYSA-N 1 0 242.366 3.437 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c3c(sc21)CCCC3 ZINC000049454811 171150378 /nfs/dbraw/zinc/15/03/78/171150378.db2.gz MHXFEIDLXZZQMQ-NSHDSACASA-N 1 0 221.369 3.224 10 0 BGAERO C[C@H]1[NH2+]CCc2c3c(sc21)CCCCC3 ZINC000049454815 188299072 /nfs/dbraw/zinc/29/90/72/188299072.db2.gz IECJEPMUELKLTL-SECBINFHSA-N 1 0 221.369 3.224 10 0 BGAERO Cc1cc([C@@H](C)NC2=[NH+]CCS2)c(C)s1 ZINC000049510469 178222517 /nfs/dbraw/zinc/22/25/17/178222517.db2.gz WZISTVATBGPKTD-MRVPVSSYSA-N 1 0 240.397 3.118 10 0 BGAERO Cc1cc([C@H](C)NC2=[NH+]CCS2)c(C)s1 ZINC000049510471 178245891 /nfs/dbraw/zinc/24/58/91/178245891.db2.gz WZISTVATBGPKTD-QMMMGPOBSA-N 1 0 240.397 3.118 10 0 BGAERO C[NH2+]Cc1ccc(-c2cccc(COC)c2)s1 ZINC000049510997 173388230 /nfs/dbraw/zinc/38/82/30/173388230.db2.gz PXGWJVXPZWTGNX-UHFFFAOYSA-N 1 0 247.363 3.281 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccccc2COC)s1 ZINC000049511077 173387871 /nfs/dbraw/zinc/38/78/71/173387871.db2.gz ABSPTVJJTZFGIX-UHFFFAOYSA-N 1 0 247.363 3.281 10 0 BGAERO CC[NH2+]Cc1ccc(-c2cccc(COC)c2)o1 ZINC000049511155 170126921 /nfs/dbraw/zinc/12/69/21/170126921.db2.gz LRNMRUZRBDEYDJ-UHFFFAOYSA-N 1 0 245.322 3.203 10 0 BGAERO CC[NH2+]Cc1ccc(-c2ccccc2COC)o1 ZINC000049511167 170126197 /nfs/dbraw/zinc/12/61/97/170126197.db2.gz PWWOYOVUNYSQQG-UHFFFAOYSA-N 1 0 245.322 3.203 10 0 BGAERO Cc1ccccc1[C@@H](C)Nc1ccc(N)nc1 ZINC000049525312 179323365 /nfs/dbraw/zinc/32/33/65/179323365.db2.gz GUEHIXDVPAQTCI-LLVKDONJSA-N 1 0 227.311 3.145 10 0 BGAERO Cc1ccccc1[C@H](C)Nc1ccc(N)nc1 ZINC000049525313 179340604 /nfs/dbraw/zinc/34/06/04/179340604.db2.gz GUEHIXDVPAQTCI-NSHDSACASA-N 1 0 227.311 3.145 10 0 BGAERO Cc1ccccc1[C@@H](C)Nc1cc[nH+]cc1N ZINC000049525315 179322623 /nfs/dbraw/zinc/32/26/23/179322623.db2.gz NIEJGWDUHPDACI-LLVKDONJSA-N 1 0 227.311 3.145 10 0 BGAERO Cc1ccccc1[C@H](C)Nc1cc[nH+]cc1N ZINC000049525316 179341037 /nfs/dbraw/zinc/34/10/37/179341037.db2.gz NIEJGWDUHPDACI-NSHDSACASA-N 1 0 227.311 3.145 10 0 BGAERO Cc1ccccc1[C@@H](C)Nc1ccc(N)cn1 ZINC000049525414 179322508 /nfs/dbraw/zinc/32/25/08/179322508.db2.gz JSDFMINLRLUMLH-LLVKDONJSA-N 1 0 227.311 3.145 10 0 BGAERO Cc1ccccc1[C@H](C)Nc1ccc(N)cn1 ZINC000049525415 179340676 /nfs/dbraw/zinc/34/06/76/179340676.db2.gz JSDFMINLRLUMLH-NSHDSACASA-N 1 0 227.311 3.145 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049525906 179320839 /nfs/dbraw/zinc/32/08/39/179320839.db2.gz AVPAWBVUXOYICT-BMFZPTHFSA-N 1 0 247.382 3.339 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCCC[C@@H]1O ZINC000049525907 179338498 /nfs/dbraw/zinc/33/84/98/179338498.db2.gz AVPAWBVUXOYICT-IMJJTQAJSA-N 1 0 247.382 3.339 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049525908 179323569 /nfs/dbraw/zinc/32/35/69/179323569.db2.gz AVPAWBVUXOYICT-KBMXLJTQSA-N 1 0 247.382 3.339 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCCC[C@@H]1O ZINC000049525909 179339345 /nfs/dbraw/zinc/33/93/45/179339345.db2.gz AVPAWBVUXOYICT-BPUTZDHNSA-N 1 0 247.382 3.339 10 0 BGAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2C)C1 ZINC000049526084 169282994 /nfs/dbraw/zinc/28/29/94/169282994.db2.gz WBOBHYWLZZNMBD-LSDHHAIUSA-N 1 0 246.398 3.130 10 0 BGAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccccc2C)C1 ZINC000049526085 169292099 /nfs/dbraw/zinc/29/20/99/169292099.db2.gz WBOBHYWLZZNMBD-GJZGRUSLSA-N 1 0 246.398 3.130 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCSC1)c1cccs1 ZINC000049528763 170909988 /nfs/dbraw/zinc/90/99/88/170909988.db2.gz ZOFXBXWJQYDZIB-NXEZZACHSA-N 1 0 227.398 3.294 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCSC1)c1cccs1 ZINC000049528765 170913843 /nfs/dbraw/zinc/91/38/43/170913843.db2.gz ZOFXBXWJQYDZIB-VHSXEESVSA-N 1 0 227.398 3.294 10 0 BGAERO CC[C@H](Nc1cc[nH+]cc1N)c1cccs1 ZINC000049529161 171551779 /nfs/dbraw/zinc/55/17/79/171551779.db2.gz IKAOTSFUJGIAKZ-JTQLQIEISA-N 1 0 233.340 3.289 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000049537507 384544245 /nfs/dbraw/zinc/54/42/45/384544245.db2.gz XFFCLBCPTZOQAA-CYBMUJFWSA-N 1 0 242.366 3.438 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]Cc2cccn2C)cc1 ZINC000049537508 384543057 /nfs/dbraw/zinc/54/30/57/384543057.db2.gz XFFCLBCPTZOQAA-ZDUSSCGKSA-N 1 0 242.366 3.438 10 0 BGAERO CCCC1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000049545339 343018096 /nfs/dbraw/zinc/01/80/96/343018096.db2.gz GIFLUAHEUSAGNA-CVSAEHQPSA-N 1 0 239.403 3.238 10 0 BGAERO CCCC1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000049545346 168605993 /nfs/dbraw/zinc/60/59/93/168605993.db2.gz GIFLUAHEUSAGNA-PFSRBDOWSA-N 1 0 239.403 3.238 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCCC[C@@H]2O)cc1 ZINC000049556502 518189693 /nfs/dbraw/zinc/18/96/93/518189693.db2.gz OODJKFDFRKXSDK-BMFZPTHFSA-N 1 0 247.382 3.339 10 0 BGAERO CCCc1ccccc1N1CCC([NH2+]CC)CC1 ZINC000049557880 132356293 /nfs/dbraw/zinc/35/62/93/132356293.db2.gz ZHBFGEXNOPORME-UHFFFAOYSA-N 1 0 246.398 3.217 10 0 BGAERO CCC[NH2+][C@H]1CCN(c2ccccc2CCC)C1 ZINC000049557886 169292015 /nfs/dbraw/zinc/29/20/15/169292015.db2.gz PTHOCQAXAKAMLP-HNNXBMFYSA-N 1 0 246.398 3.217 10 0 BGAERO CCC[NH2+][C@@H]1CCN(c2ccccc2CCC)C1 ZINC000049557887 169283238 /nfs/dbraw/zinc/28/32/38/169283238.db2.gz PTHOCQAXAKAMLP-OAHLLOKOSA-N 1 0 246.398 3.217 10 0 BGAERO CC[NH2+]C1CCN([C@@H](C)c2ccc(C)cc2)CC1 ZINC000049557892 170109157 /nfs/dbraw/zinc/10/91/57/170109157.db2.gz YDFJCFXCQWVYQN-AWEZNQCLSA-N 1 0 246.398 3.130 10 0 BGAERO CC[NH2+]C1CCN([C@H](C)c2ccc(C)cc2)CC1 ZINC000049557893 170109674 /nfs/dbraw/zinc/10/96/74/170109674.db2.gz YDFJCFXCQWVYQN-CQSZACIVSA-N 1 0 246.398 3.130 10 0 BGAERO CCC[NH2+][C@@H]1CCN([C@@H](C)c2ccc(C)cc2)C1 ZINC000049557900 169283199 /nfs/dbraw/zinc/28/31/99/169283199.db2.gz IUMIAZRZPNXEHN-GOEBONIOSA-N 1 0 246.398 3.130 10 0 BGAERO CCC[NH2+][C@H]1CCN([C@@H](C)c2ccc(C)cc2)C1 ZINC000049557901 169291962 /nfs/dbraw/zinc/29/19/62/169291962.db2.gz IUMIAZRZPNXEHN-HOCLYGCPSA-N 1 0 246.398 3.130 10 0 BGAERO OC1(C[NH2+]CCC2=CCCCC2)CCCCC1 ZINC000049574224 183018643 /nfs/dbraw/zinc/01/86/43/183018643.db2.gz MPWBHJLYVRVFPJ-UHFFFAOYSA-N 1 0 237.387 3.162 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(c2cncc(F)c2)C1 ZINC000049575951 176052445 /nfs/dbraw/zinc/05/24/45/176052445.db2.gz MYKQWGRIZBCKAS-YGRLFVJLSA-N 1 0 236.334 3.221 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(c2cncc(F)c2)C1 ZINC000049575952 177063996 /nfs/dbraw/zinc/06/39/96/177063996.db2.gz MYKQWGRIZBCKAS-HZMBPMFUSA-N 1 0 236.334 3.221 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(c2cncc(F)c2)C1 ZINC000049575953 176052576 /nfs/dbraw/zinc/05/25/76/176052576.db2.gz MYKQWGRIZBCKAS-QMTHXVAHSA-N 1 0 236.334 3.221 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(c2cncc(F)c2)C1 ZINC000049575954 177063789 /nfs/dbraw/zinc/06/37/89/177063789.db2.gz MYKQWGRIZBCKAS-IINYFYTJSA-N 1 0 236.334 3.221 10 0 BGAERO CC[NH2+][C@@H](c1ccc(F)cc1)c1cncc(F)c1 ZINC000049576149 170147461 /nfs/dbraw/zinc/14/74/61/170147461.db2.gz PLLJVIXFXHSYQS-AWEZNQCLSA-N 1 0 248.276 3.059 10 0 BGAERO CC[NH2+][C@H](c1ccc(F)cc1)c1cncc(F)c1 ZINC000049576150 170164282 /nfs/dbraw/zinc/16/42/82/170164282.db2.gz PLLJVIXFXHSYQS-CQSZACIVSA-N 1 0 248.276 3.059 10 0 BGAERO CC[NH2+][C@@H](c1cccc(F)c1)c1cncc(F)c1 ZINC000049576157 170148412 /nfs/dbraw/zinc/14/84/12/170148412.db2.gz WCOYWQAIMZBPPC-AWEZNQCLSA-N 1 0 248.276 3.059 10 0 BGAERO CC[NH2+][C@H](c1cccc(F)c1)c1cncc(F)c1 ZINC000049576158 170164421 /nfs/dbraw/zinc/16/44/21/170164421.db2.gz WCOYWQAIMZBPPC-CQSZACIVSA-N 1 0 248.276 3.059 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)cc1)c1cncc(F)c1 ZINC000049576259 170147479 /nfs/dbraw/zinc/14/74/79/170147479.db2.gz SMPHVYGXGYSXSF-HNNXBMFYSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)cc1)c1cncc(F)c1 ZINC000049576260 170163087 /nfs/dbraw/zinc/16/30/87/170163087.db2.gz SMPHVYGXGYSXSF-OAHLLOKOSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccc1)c1cncc(F)c1 ZINC000049576277 170146826 /nfs/dbraw/zinc/14/68/26/170146826.db2.gz ZJTSIWQTOQRPIQ-HNNXBMFYSA-N 1 0 244.313 3.114 10 0 BGAERO CC[NH2+][C@H](Cc1ccccc1)c1cncc(F)c1 ZINC000049576278 170162259 /nfs/dbraw/zinc/16/22/59/170162259.db2.gz ZJTSIWQTOQRPIQ-OAHLLOKOSA-N 1 0 244.313 3.114 10 0 BGAERO CCC[NH2+][C@@H](c1ccccc1)c1cncc(F)c1 ZINC000049576363 169281171 /nfs/dbraw/zinc/28/11/71/169281171.db2.gz AFGMQZDNCMMTGA-HNNXBMFYSA-N 1 0 244.313 3.310 10 0 BGAERO CCC[NH2+][C@H](c1ccccc1)c1cncc(F)c1 ZINC000049576364 169290805 /nfs/dbraw/zinc/29/08/05/169290805.db2.gz AFGMQZDNCMMTGA-OAHLLOKOSA-N 1 0 244.313 3.310 10 0 BGAERO CC[NH2+][C@H](c1cncc(F)c1)c1ccccc1C ZINC000049576385 170164842 /nfs/dbraw/zinc/16/48/42/170164842.db2.gz MFYDEECQLUGZFF-OAHLLOKOSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@@H](c1cncc(F)c1)c1ccccc1C ZINC000049576386 170149963 /nfs/dbraw/zinc/14/99/63/170149963.db2.gz MFYDEECQLUGZFF-HNNXBMFYSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@@H](c1cccc(C)c1)c1cncc(F)c1 ZINC000049576391 170148169 /nfs/dbraw/zinc/14/81/69/170148169.db2.gz GDDDPNOPHQYVKK-HNNXBMFYSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@H](c1cccc(C)c1)c1cncc(F)c1 ZINC000049576392 170164072 /nfs/dbraw/zinc/16/40/72/170164072.db2.gz GDDDPNOPHQYVKK-OAHLLOKOSA-N 1 0 244.313 3.228 10 0 BGAERO C[NH2+][C@@H](c1cncc(F)c1)C1CCCCC1 ZINC000049576413 173430396 /nfs/dbraw/zinc/43/03/96/173430396.db2.gz JQZUJYBHIFRAEF-CYBMUJFWSA-N 1 0 222.307 3.062 10 0 BGAERO CC[NH2+][C@@H](c1cncc(F)c1)C1CCCCC1 ZINC000049576415 170149323 /nfs/dbraw/zinc/14/93/23/170149323.db2.gz XWGRKPQRBTTYKP-CQSZACIVSA-N 1 0 236.334 3.452 10 0 BGAERO CC[NH2+][C@H](c1cncc(F)c1)C1CCCCC1 ZINC000049576416 170165062 /nfs/dbraw/zinc/16/50/62/170165062.db2.gz XWGRKPQRBTTYKP-AWEZNQCLSA-N 1 0 236.334 3.452 10 0 BGAERO CC[NH2+][C@@H](c1cncc(F)c1)C1CCCC1 ZINC000049576472 170149411 /nfs/dbraw/zinc/14/94/11/170149411.db2.gz VWAYWGUQCHZGPN-CYBMUJFWSA-N 1 0 222.307 3.062 10 0 BGAERO CC[NH2+][C@H](c1cncc(F)c1)C1CCCC1 ZINC000049576473 170165241 /nfs/dbraw/zinc/16/52/41/170165241.db2.gz VWAYWGUQCHZGPN-ZDUSSCGKSA-N 1 0 222.307 3.062 10 0 BGAERO CCC[NH2+][C@@H](c1cncc(F)c1)C1CCCC1 ZINC000049576474 169280597 /nfs/dbraw/zinc/28/05/97/169280597.db2.gz BGCCMLBBRYYMMR-CQSZACIVSA-N 1 0 236.334 3.452 10 0 BGAERO CCC[NH2+][C@H](c1cncc(F)c1)C1CCCC1 ZINC000049576475 169290745 /nfs/dbraw/zinc/29/07/45/169290745.db2.gz BGCCMLBBRYYMMR-AWEZNQCLSA-N 1 0 236.334 3.452 10 0 BGAERO C[NH2+][C@H](C)c1ccc(-c2cncc(F)c2)cc1 ZINC000049576651 173448558 /nfs/dbraw/zinc/44/85/58/173448558.db2.gz ZXEDLSYDIAYITL-SNVBAGLBSA-N 1 0 230.286 3.168 10 0 BGAERO CC[NH2+]Cc1ccc(F)c(-c2cncc(F)c2)c1 ZINC000049576655 170126716 /nfs/dbraw/zinc/12/67/16/170126716.db2.gz HBIJQEXDUHYRTN-UHFFFAOYSA-N 1 0 248.276 3.136 10 0 BGAERO CCC[NH2+]Cc1ccc(-c2cncc(F)c2)cc1 ZINC000049576667 169266776 /nfs/dbraw/zinc/26/67/76/169266776.db2.gz LOHVPHKNEDMNGX-UHFFFAOYSA-N 1 0 244.313 3.387 10 0 BGAERO Fc1cncc(-c2ccc(C[NH2+]C3CC3)cc2)c1 ZINC000049576669 181019015 /nfs/dbraw/zinc/01/90/15/181019015.db2.gz HPGROAMXCDHYQV-UHFFFAOYSA-N 1 0 242.297 3.140 10 0 BGAERO CCC[NH2+]Cc1cccc(-c2cncc(F)c2)c1 ZINC000049576695 169267725 /nfs/dbraw/zinc/26/77/25/169267725.db2.gz BCBRJLZOVGXFKM-UHFFFAOYSA-N 1 0 244.313 3.387 10 0 BGAERO CCC[NH2+]Cc1ccccc1-c1cncc(F)c1 ZINC000049576705 169268082 /nfs/dbraw/zinc/26/80/82/169268082.db2.gz ZIPOSVSNPHAJQS-UHFFFAOYSA-N 1 0 244.313 3.387 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1-c1cncc(F)c1 ZINC000049576706 167118921 /nfs/dbraw/zinc/11/89/21/167118921.db2.gz SYYFKKOVGJDNBR-UHFFFAOYSA-N 1 0 244.313 3.386 10 0 BGAERO Fc1cncc(-c2ccccc2C[NH2+]C2CC2)c1 ZINC000049576707 181019337 /nfs/dbraw/zinc/01/93/37/181019337.db2.gz OGMOAPZTXXLWHQ-UHFFFAOYSA-N 1 0 242.297 3.140 10 0 BGAERO CC[NH2+]Cc1cc(-c2cncc(F)c2)ccc1F ZINC000049576709 170124803 /nfs/dbraw/zinc/12/48/03/170124803.db2.gz ZNQQHRDLWXOFBC-UHFFFAOYSA-N 1 0 248.276 3.136 10 0 BGAERO CC[NH2+]Cc1ccc(-c2cncc(F)c2)cc1F ZINC000049576720 170126274 /nfs/dbraw/zinc/12/62/74/170126274.db2.gz QJDWAJIUVKLUED-UHFFFAOYSA-N 1 0 248.276 3.136 10 0 BGAERO NC(=[NH2+])CCCCOc1cccc2ccccc21 ZINC000049579858 181186658 /nfs/dbraw/zinc/18/66/58/181186658.db2.gz GUHHPJWFKAWQSZ-UHFFFAOYSA-N 1 0 242.322 3.325 10 0 BGAERO NC(=[NH2+])CCCCOc1ccc2ccccc2c1 ZINC000049579862 181186239 /nfs/dbraw/zinc/18/62/39/181186239.db2.gz ASHYRSCETDFXEU-UHFFFAOYSA-N 1 0 242.322 3.325 10 0 BGAERO NC(=[NH2+])CCCCO[C@H]1CCCc2ccccc21 ZINC000049579903 181186160 /nfs/dbraw/zinc/18/61/60/181186160.db2.gz PCGRAVSEUVQELQ-AWEZNQCLSA-N 1 0 246.354 3.187 10 0 BGAERO NC(=[NH2+])CCCCO[C@@H]1CCCc2ccccc21 ZINC000049579904 181186540 /nfs/dbraw/zinc/18/65/40/181186540.db2.gz PCGRAVSEUVQELQ-CQSZACIVSA-N 1 0 246.354 3.187 10 0 BGAERO CC(C)(C)c1ccccc1OCCCCC(N)=[NH2+] ZINC000049579918 188125341 /nfs/dbraw/zinc/12/53/41/188125341.db2.gz KYYKPUCUXMCDCJ-UHFFFAOYSA-N 1 0 248.370 3.469 10 0 BGAERO CC(C)c1ccc(OCCCCC(N)=[NH2+])cc1 ZINC000049579923 167608301 /nfs/dbraw/zinc/60/83/01/167608301.db2.gz OMPVVWQBQGMYHH-UHFFFAOYSA-N 1 0 234.343 3.295 10 0 BGAERO C[C@@H]1C[C@H](OCCCCC(N)=[NH2+])CC(C)(C)C1 ZINC000049579951 176429638 /nfs/dbraw/zinc/42/96/38/176429638.db2.gz MKSDJDLHYLYGLE-NEPJUHHUSA-N 1 0 240.391 3.324 10 0 BGAERO C[C@H]1C[C@H](OCCCCC(N)=[NH2+])CC(C)(C)C1 ZINC000049579952 177374385 /nfs/dbraw/zinc/37/43/85/177374385.db2.gz MKSDJDLHYLYGLE-RYUDHWBXSA-N 1 0 240.391 3.324 10 0 BGAERO Cc1cc(C)c(OCCCCC(N)=[NH2+])c(C)c1 ZINC000049580013 177868392 /nfs/dbraw/zinc/86/83/92/177868392.db2.gz BFSXDBAWZHMOTR-UHFFFAOYSA-N 1 0 234.343 3.097 10 0 BGAERO NC(=[NH2+])CCCCOc1ccc2c(c1)CCCC2 ZINC000049580018 181186418 /nfs/dbraw/zinc/18/64/18/181186418.db2.gz XQADLDCOYLNSGR-UHFFFAOYSA-N 1 0 246.354 3.050 10 0 BGAERO NC(=[NH2+])CCCCSc1nc2ccccc2o1 ZINC000049580048 181186202 /nfs/dbraw/zinc/18/62/02/181186202.db2.gz CLMFUERBHUBKLX-UHFFFAOYSA-N 1 0 249.339 3.026 10 0 BGAERO NC(=[NH2+])CCCCSc1ccc2c(c1)CCC2 ZINC000049580062 181186728 /nfs/dbraw/zinc/18/67/28/181186728.db2.gz OYBXCQZEQPTZOA-UHFFFAOYSA-N 1 0 248.395 3.374 10 0 BGAERO [NH3+]CCCCCOc1ccccc1C(F)(F)F ZINC000049582112 181375169 /nfs/dbraw/zinc/37/51/69/181375169.db2.gz RPEAEDOMPQVQNR-UHFFFAOYSA-N 1 0 247.260 3.213 10 0 BGAERO [NH3+]CCCCCO[C@H]1CCCc2ccccc21 ZINC000049582212 181375116 /nfs/dbraw/zinc/37/51/16/181375116.db2.gz ZRAXPOVGONJAMW-HNNXBMFYSA-N 1 0 233.355 3.210 10 0 BGAERO [NH3+]CCCCCO[C@@H]1CCCc2ccccc21 ZINC000049582213 181375546 /nfs/dbraw/zinc/37/55/46/181375546.db2.gz ZRAXPOVGONJAMW-OAHLLOKOSA-N 1 0 233.355 3.210 10 0 BGAERO [NH3+]CCCCCOc1cccc(C(F)(F)F)c1 ZINC000049582233 181375012 /nfs/dbraw/zinc/37/50/12/181375012.db2.gz VKTUIQIJGBWEHV-UHFFFAOYSA-N 1 0 247.260 3.213 10 0 BGAERO [NH3+]CCCCCOc1ccc(C(F)(F)F)cc1 ZINC000049582304 181375258 /nfs/dbraw/zinc/37/52/58/181375258.db2.gz NNLHWHMKWBDDER-UHFFFAOYSA-N 1 0 247.260 3.213 10 0 BGAERO [NH2+]=C1CCCCN1C12CC3CC(CC(C3)C1)C2 ZINC000049583854 181206752 /nfs/dbraw/zinc/20/67/52/181206752.db2.gz CDMPWSUQBCAXPS-UHFFFAOYSA-N 1 0 232.371 3.418 10 0 BGAERO [NH2+]=C1CCCCN1c1cccc2ncccc21 ZINC000049583892 132356303 /nfs/dbraw/zinc/35/63/03/132356303.db2.gz QQDJHKJIBJWQJY-UHFFFAOYSA-N 1 0 225.295 3.202 10 0 BGAERO [NH2+]=C1CCCCN1c1cccc2cccnc21 ZINC000049583895 132356279 /nfs/dbraw/zinc/35/62/79/132356279.db2.gz RJHYMWWJFSQASK-UHFFFAOYSA-N 1 0 225.295 3.202 10 0 BGAERO CC(C)Oc1ccc(N2CCCCC2=[NH2+])cc1 ZINC000049584160 534999722 /nfs/dbraw/zinc/99/97/22/534999722.db2.gz SQSVZMQDHQSJEV-UHFFFAOYSA-N 1 0 232.327 3.441 10 0 BGAERO [NH2+]=C1CCCCN1c1ccc(OC(F)F)cc1 ZINC000049584186 132356290 /nfs/dbraw/zinc/35/62/90/132356290.db2.gz LGTMWXADXWCYJM-UHFFFAOYSA-N 1 0 240.253 3.256 10 0 BGAERO [NH2+]=C1CCCCN1c1ccccc1OC(F)F ZINC000049584187 132356265 /nfs/dbraw/zinc/35/62/65/132356265.db2.gz QGCXEEOFQHJREI-UHFFFAOYSA-N 1 0 240.253 3.256 10 0 BGAERO [NH2+]=C1CCCCN1c1cccc2cnccc21 ZINC000049584252 132356194 /nfs/dbraw/zinc/35/61/94/132356194.db2.gz KJMSNAOCYBKNJP-UHFFFAOYSA-N 1 0 225.295 3.202 10 0 BGAERO C[C@@H]1CCN(c2cccc3ccccc32)CC[NH2+]1 ZINC000049660854 176182022 /nfs/dbraw/zinc/18/20/22/176182022.db2.gz CBIXJKBHFIHVJU-CYBMUJFWSA-N 1 0 240.350 3.028 10 0 BGAERO C[C@H]1CCN(c2cccc3ccccc32)CC[NH2+]1 ZINC000049660856 177171756 /nfs/dbraw/zinc/17/17/56/177171756.db2.gz CBIXJKBHFIHVJU-ZDUSSCGKSA-N 1 0 240.350 3.028 10 0 BGAERO C[C@@H]1C[NH2+]CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000049660874 176325124 /nfs/dbraw/zinc/32/51/24/176325124.db2.gz VPCIBEMVFNNABF-CYBMUJFWSA-N 1 0 246.398 3.030 10 0 BGAERO C[C@H]1C[NH2+]CCN(c2ccc(C(C)(C)C)cc2)C1 ZINC000049660876 177283083 /nfs/dbraw/zinc/28/30/83/177283083.db2.gz VPCIBEMVFNNABF-ZDUSSCGKSA-N 1 0 246.398 3.030 10 0 BGAERO C[C@@H]1CCN(c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000049660878 176181406 /nfs/dbraw/zinc/18/14/06/176181406.db2.gz IOUAWAJEWCTUTE-CYBMUJFWSA-N 1 0 246.398 3.172 10 0 BGAERO C[C@H]1CCN(c2ccc(C(C)(C)C)cc2)CC[NH2+]1 ZINC000049660880 177170916 /nfs/dbraw/zinc/17/09/16/177170916.db2.gz IOUAWAJEWCTUTE-ZDUSSCGKSA-N 1 0 246.398 3.172 10 0 BGAERO CC[C@@H]1CCN(c2ccc(C(C)C)cc2)CC[NH2+]1 ZINC000049660911 171015020 /nfs/dbraw/zinc/01/50/20/171015020.db2.gz VCWBULPKPKDBEI-OAHLLOKOSA-N 1 0 246.398 3.388 10 0 BGAERO CC[C@H]1CCN(c2ccc(C(C)C)cc2)CC[NH2+]1 ZINC000049660912 171632802 /nfs/dbraw/zinc/63/28/02/171632802.db2.gz VCWBULPKPKDBEI-HNNXBMFYSA-N 1 0 246.398 3.388 10 0 BGAERO CC[C@@H]1CCN(c2ccccc2C(C)C)CC[NH2+]1 ZINC000049660973 171013711 /nfs/dbraw/zinc/01/37/11/171013711.db2.gz ZGVWGJMUCNFDFQ-CQSZACIVSA-N 1 0 246.398 3.388 10 0 BGAERO CC[C@@H]1CC[N@@H+](C2CCCCCCC2)CCN1 ZINC000049661024 171010112 /nfs/dbraw/zinc/01/01/12/171010112.db2.gz URHAXWXJMPTTHO-CQSZACIVSA-N 1 0 238.419 3.173 10 0 BGAERO CC[C@@H]1CCN(c2cccc(C(C)C)c2)CC[NH2+]1 ZINC000049661837 171014964 /nfs/dbraw/zinc/01/49/64/171014964.db2.gz HAVVXZWDLZYMQG-OAHLLOKOSA-N 1 0 246.398 3.388 10 0 BGAERO CC[C@@H]1CCN([C@@H](C)c2ccc(C)cc2)CC[NH2+]1 ZINC000049662539 171015108 /nfs/dbraw/zinc/01/51/08/171015108.db2.gz FRYZRUUYDMTCGA-GOEBONIOSA-N 1 0 246.398 3.130 10 0 BGAERO CCCc1ccccc1N1CC[NH2+][C@@H](CC)CC1 ZINC000049662560 169577725 /nfs/dbraw/zinc/57/77/25/169577725.db2.gz CCKMNFFQMRAZPK-HNNXBMFYSA-N 1 0 246.398 3.217 10 0 BGAERO CC[C@@H]1CCN(c2cc(C)ccc2C)CCC[NH2+]1 ZINC000049662881 171014391 /nfs/dbraw/zinc/01/43/91/171014391.db2.gz HXAYOKWLHMRWKE-OAHLLOKOSA-N 1 0 246.398 3.272 10 0 BGAERO CC[C@H]1CCN(c2cc(C)ccc2C)CCC[NH2+]1 ZINC000049662882 171632696 /nfs/dbraw/zinc/63/26/96/171632696.db2.gz HXAYOKWLHMRWKE-HNNXBMFYSA-N 1 0 246.398 3.272 10 0 BGAERO Cc1ccc(C)c(N2CC[C@@H](C)[NH2+][C@@H](C)CC2)c1 ZINC000049662893 178479998 /nfs/dbraw/zinc/47/99/98/178479998.db2.gz SLQRSOHROHAHBJ-GASCZTMLSA-N 1 0 246.398 3.270 10 0 BGAERO Cc1ccc(C)c(N2CC[C@H](C)[NH2+][C@@H](C)CC2)c1 ZINC000049662897 178479914 /nfs/dbraw/zinc/47/99/14/178479914.db2.gz SLQRSOHROHAHBJ-GJZGRUSLSA-N 1 0 246.398 3.270 10 0 BGAERO CCc1ccccc1N1CC[C@H](C)[NH2+][C@@H](C)CC1 ZINC000049664445 171884760 /nfs/dbraw/zinc/88/47/60/171884760.db2.gz QLEHVKGNLHYTGR-KBPBESRZSA-N 1 0 246.398 3.216 10 0 BGAERO CCc1ccc(N2CCC[NH2+][C@H](CC)CC2)cc1 ZINC000049664662 171816848 /nfs/dbraw/zinc/81/68/48/171816848.db2.gz RVDHSKMKBWIFTJ-OAHLLOKOSA-N 1 0 246.398 3.217 10 0 BGAERO CCc1ccc(N2CCC[NH2+][C@@H](CC)CC2)cc1 ZINC000049664665 171816963 /nfs/dbraw/zinc/81/69/63/171816963.db2.gz RVDHSKMKBWIFTJ-HNNXBMFYSA-N 1 0 246.398 3.217 10 0 BGAERO CC[C@@H]1CCN(c2ccccc2)CC[C@H](C)[NH2+]1 ZINC000049665045 171013584 /nfs/dbraw/zinc/01/35/84/171013584.db2.gz LINHMFNECRJJLV-UONOGXRCSA-N 1 0 232.371 3.044 10 0 BGAERO CC[C@@H]1CCN(c2ccc(C)cc2C)CCC[NH2+]1 ZINC000049665068 171014366 /nfs/dbraw/zinc/01/43/66/171014366.db2.gz LTMSZFRFTHORAF-OAHLLOKOSA-N 1 0 246.398 3.272 10 0 BGAERO CC[C@H]1CCN(c2ccc(C)cc2C)CCC[NH2+]1 ZINC000049665070 171632668 /nfs/dbraw/zinc/63/26/68/171632668.db2.gz LTMSZFRFTHORAF-HNNXBMFYSA-N 1 0 246.398 3.272 10 0 BGAERO Cc1ccc(N2CC[C@@H](C)[NH2+][C@@H](C)CC2)c(C)c1 ZINC000049665081 178714333 /nfs/dbraw/zinc/71/43/33/178714333.db2.gz IKNBJIZZDIMLKR-GASCZTMLSA-N 1 0 246.398 3.270 10 0 BGAERO CC[C@@H]1CCN(c2ccc(C)c(C)c2)CCC[NH2+]1 ZINC000049665096 171013780 /nfs/dbraw/zinc/01/37/80/171013780.db2.gz WDVPVQJQUFSYMQ-OAHLLOKOSA-N 1 0 246.398 3.272 10 0 BGAERO Cc1ccc(N2CC[C@@H](C)[NH2+][C@H](C)CC2)cc1C ZINC000049665109 178714273 /nfs/dbraw/zinc/71/42/73/178714273.db2.gz ZBHUXFMKQYFCPW-HUUCEWRRSA-N 1 0 246.398 3.270 10 0 BGAERO CC[C@@H]1CCN(c2cccc(C)c2C)CCC[NH2+]1 ZINC000049665123 171015106 /nfs/dbraw/zinc/01/51/06/171015106.db2.gz YBYSIVIQUXZYNF-OAHLLOKOSA-N 1 0 246.398 3.272 10 0 BGAERO Cc1cccc(N2CC[C@@H](C)[NH2+][C@@H](C)CC2)c1C ZINC000049665135 179121829 /nfs/dbraw/zinc/12/18/29/179121829.db2.gz ZNVRMUHWIVUZEB-OKILXGFUSA-N 1 0 246.398 3.270 10 0 BGAERO Cc1cccc(N2CC[C@@H](C)[NH2+][C@H](C)CC2)c1C ZINC000049665138 179121784 /nfs/dbraw/zinc/12/17/84/179121784.db2.gz ZNVRMUHWIVUZEB-ZIAGYGMSSA-N 1 0 246.398 3.270 10 0 BGAERO Cc1cccc(N2CC[C@H](C)[NH2+][C@@H](C)CC2)c1C ZINC000049665140 179121619 /nfs/dbraw/zinc/12/16/19/179121619.db2.gz ZNVRMUHWIVUZEB-KBPBESRZSA-N 1 0 246.398 3.270 10 0 BGAERO Cc1cccc(N2CC[C@H](C)[NH2+]C[C@H](C)C2)c1C ZINC000049665141 179122975 /nfs/dbraw/zinc/12/29/75/179122975.db2.gz OOVSCVLCXOYCKR-JSGCOSHPSA-N 1 0 246.398 3.128 10 0 BGAERO Cc1cccc(N2CC[C@@H](C)[NH2+]C[C@H](C)C2)c1C ZINC000049665143 179121852 /nfs/dbraw/zinc/12/18/52/179121852.db2.gz OOVSCVLCXOYCKR-GXTWGEPZSA-N 1 0 246.398 3.128 10 0 BGAERO CCc1cccc(N2CCC[NH2+][C@H](CC)CC2)c1 ZINC000049665221 171858352 /nfs/dbraw/zinc/85/83/52/171858352.db2.gz GVIDIUZILLNVHO-OAHLLOKOSA-N 1 0 246.398 3.217 10 0 BGAERO CCc1cccc(N2CCC[NH2+][C@@H](CC)CC2)c1 ZINC000049665222 171859228 /nfs/dbraw/zinc/85/92/28/171859228.db2.gz GVIDIUZILLNVHO-HNNXBMFYSA-N 1 0 246.398 3.217 10 0 BGAERO CC[C@@H]1CCN(c2cc(C)cc(C)c2)CCC[NH2+]1 ZINC000049665350 171013412 /nfs/dbraw/zinc/01/34/12/171013412.db2.gz GZNJAOLJVWCVNF-OAHLLOKOSA-N 1 0 246.398 3.272 10 0 BGAERO Cc1cc(C)cc(N2CC[C@@H](C)[NH2+][C@H](C)CC2)c1 ZINC000049665363 177905935 /nfs/dbraw/zinc/90/59/35/177905935.db2.gz YUSCYWFEGHPKIQ-HUUCEWRRSA-N 1 0 246.398 3.270 10 0 BGAERO Cc1cc(C)cc(N2CC[C@H](C)[NH2+]C[C@H](C)C2)c1 ZINC000049665366 177905859 /nfs/dbraw/zinc/90/58/59/177905859.db2.gz DCXXCDMYVSNHCF-GJZGRUSLSA-N 1 0 246.398 3.128 10 0 BGAERO CC[C@@H]1CCN(c2cccc(C)c2)CC[C@H](C)[NH2+]1 ZINC000049665461 171014397 /nfs/dbraw/zinc/01/43/97/171014397.db2.gz USHUQOKOTAOBKE-LSDHHAIUSA-N 1 0 246.398 3.352 10 0 BGAERO CC[C@@H]1CCN(c2cccc(C)c2)C[C@H](C)C[NH2+]1 ZINC000049665465 171013374 /nfs/dbraw/zinc/01/33/74/171013374.db2.gz CVBZBOYXPFISMN-HUUCEWRRSA-N 1 0 246.398 3.209 10 0 BGAERO CC[C@@H]1CCN(c2ccc(C)cc2)CC[C@H](C)[NH2+]1 ZINC000049665520 171013510 /nfs/dbraw/zinc/01/35/10/171013510.db2.gz KLXHOZLZRRTXPU-LSDHHAIUSA-N 1 0 246.398 3.352 10 0 BGAERO CC[C@@H]1CCN(c2ccc(C)cc2)C[C@H](C)C[NH2+]1 ZINC000049665524 171014731 /nfs/dbraw/zinc/01/47/31/171014731.db2.gz WLEJMBVKAICSOA-HUUCEWRRSA-N 1 0 246.398 3.209 10 0 BGAERO CC[C@@H]1CCN(c2ccccc2C)CC[C@H](C)[NH2+]1 ZINC000049665551 171014971 /nfs/dbraw/zinc/01/49/71/171014971.db2.gz GYXSQWDFTMZULO-LSDHHAIUSA-N 1 0 246.398 3.352 10 0 BGAERO CC[C@@H]1CCN(c2ccccc2C)C[C@H](C)C[NH2+]1 ZINC000049665556 171015044 /nfs/dbraw/zinc/01/50/44/171015044.db2.gz GTXFOSSUKAVZHF-UKRRQHHQSA-N 1 0 246.398 3.209 10 0 BGAERO CC(C)c1cccc(N2CCC[NH2+]C[C@H](C)C2)c1 ZINC000049665750 167630354 /nfs/dbraw/zinc/63/03/54/167630354.db2.gz ZPIXABJGKVCOHF-AWEZNQCLSA-N 1 0 246.398 3.246 10 0 BGAERO CCCCc1ccc(N2CCC[NH2+]CCC2)cc1 ZINC000049665966 169020976 /nfs/dbraw/zinc/02/09/76/169020976.db2.gz VADOHVBNISTMDU-UHFFFAOYSA-N 1 0 246.398 3.219 10 0 BGAERO CCCc1ccc(N2CCC[NH2+][C@H](C)CC2)cc1 ZINC000049665971 169571842 /nfs/dbraw/zinc/57/18/42/169571842.db2.gz BIAXNOWGYCDRMG-CQSZACIVSA-N 1 0 246.398 3.217 10 0 BGAERO CCCc1ccc(N2CCC[NH2+][C@@H](C)CC2)cc1 ZINC000049665973 169571491 /nfs/dbraw/zinc/57/14/91/169571491.db2.gz BIAXNOWGYCDRMG-AWEZNQCLSA-N 1 0 246.398 3.217 10 0 BGAERO CC[C@@H](Cc1ccc(C)c(C)c1)[C@@H](C)[NH2+]C ZINC000049668975 170855322 /nfs/dbraw/zinc/85/53/22/170855322.db2.gz YKJIRDJCUUNLTE-HIFRSBDPSA-N 1 0 219.372 3.480 10 0 BGAERO C[NH2+][C@H](Cc1ccc(C)c(C)c1)C[C@H]1CCCO1 ZINC000049669606 173453917 /nfs/dbraw/zinc/45/39/17/173453917.db2.gz WKHVKYKHJVNWAM-HZPDHXFCSA-N 1 0 247.382 3.003 10 0 BGAERO CCC[NH2+][C@H](CCOC)Cc1ccc(C)c(C)c1 ZINC000049669792 169289422 /nfs/dbraw/zinc/28/94/22/169289422.db2.gz LOMRVRJELWSMJV-MRXNPFEDSA-N 1 0 249.398 3.251 10 0 BGAERO C[NH2+]Cc1cnc(-c2cc(C)ccc2C)s1 ZINC000049670099 173391986 /nfs/dbraw/zinc/39/19/86/173391986.db2.gz KTLBEOKMOOMMAE-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO CCC[NH+](CCC)[C@@H](CN)c1cc(C)ccc1C ZINC000049670369 169150211 /nfs/dbraw/zinc/15/02/11/169150211.db2.gz ZZICUGJPCDXAJK-INIZCTEOSA-N 1 0 248.414 3.425 10 0 BGAERO CCC[NH+](CCC)[C@H](CN)c1cc(C)ccc1C ZINC000049670370 169152808 /nfs/dbraw/zinc/15/28/08/169152808.db2.gz ZZICUGJPCDXAJK-MRXNPFEDSA-N 1 0 248.414 3.425 10 0 BGAERO CCC[N@H+](C(C)C)[C@@H](CN)c1cc(C)ccc1C ZINC000049670411 169049248 /nfs/dbraw/zinc/04/92/48/169049248.db2.gz WWYQODIHVWTVGK-INIZCTEOSA-N 1 0 248.414 3.424 10 0 BGAERO CCC[N@H+](C(C)C)[C@H](CN)c1cc(C)ccc1C ZINC000049670412 169048800 /nfs/dbraw/zinc/04/88/00/169048800.db2.gz WWYQODIHVWTVGK-MRXNPFEDSA-N 1 0 248.414 3.424 10 0 BGAERO CCC[N@H+]([C@@H](CN)c1cc(C)ccc1C)C1CC1 ZINC000049670413 169089827 /nfs/dbraw/zinc/08/98/27/169089827.db2.gz ATWVESLBDVLFTO-INIZCTEOSA-N 1 0 246.398 3.178 10 0 BGAERO CCC[N@H+]([C@H](CN)c1cc(C)ccc1C)C1CC1 ZINC000049670414 169091350 /nfs/dbraw/zinc/09/13/50/169091350.db2.gz ATWVESLBDVLFTO-MRXNPFEDSA-N 1 0 246.398 3.178 10 0 BGAERO CC[C@H](C)[N@H+](CC)[C@@H](CN)c1cc(C)ccc1C ZINC000049670424 171311661 /nfs/dbraw/zinc/31/16/61/171311661.db2.gz ZEAMNSUOLMZVBE-HOCLYGCPSA-N 1 0 248.414 3.424 10 0 BGAERO CC[C@H](C)C[N@H+](C)[C@@H](CN)c1cc(C)ccc1C ZINC000049670428 171274655 /nfs/dbraw/zinc/27/46/55/171274655.db2.gz JFAHWSZLEVPXJJ-LRDDRELGSA-N 1 0 248.414 3.281 10 0 BGAERO Cc1ccc(C)c([C@@H](CN)[N@@H+](C)[C@@H](C)C(C)C)c1 ZINC000049670460 178495836 /nfs/dbraw/zinc/49/58/36/178495836.db2.gz LDSNEIKCBDLRFL-GOEBONIOSA-N 1 0 248.414 3.280 10 0 BGAERO CCC(CC)[N@H+](C)[C@@H](CN)c1cc(C)ccc1C ZINC000049670462 168369497 /nfs/dbraw/zinc/36/94/97/168369497.db2.gz OAPYXVPSGFZFTK-INIZCTEOSA-N 1 0 248.414 3.424 10 0 BGAERO CCC(CC)[N@H+](C)[C@H](CN)c1cc(C)ccc1C ZINC000049670463 168369606 /nfs/dbraw/zinc/36/96/06/168369606.db2.gz OAPYXVPSGFZFTK-MRXNPFEDSA-N 1 0 248.414 3.424 10 0 BGAERO CCC[C@@H](C)[N@H+](C)[C@@H](CN)c1cc(C)ccc1C ZINC000049670464 169366123 /nfs/dbraw/zinc/36/61/23/169366123.db2.gz VQHJAMKUAIDSDL-ZBFHGGJFSA-N 1 0 248.414 3.424 10 0 BGAERO CC[NH2+][C@H](c1nccs1)c1cc(C)ccc1C ZINC000049671003 170164910 /nfs/dbraw/zinc/16/49/10/170164910.db2.gz DIEWMHANEGBJIX-ZDUSSCGKSA-N 1 0 246.379 3.459 10 0 BGAERO CC[NH2+][C@@H](c1nccs1)c1cc(C)ccc1C ZINC000049671004 170149719 /nfs/dbraw/zinc/14/97/19/170149719.db2.gz DIEWMHANEGBJIX-CYBMUJFWSA-N 1 0 246.379 3.459 10 0 BGAERO Cc1cc(C[NH2+]Cc2ccncc2)c(C)s1 ZINC000049685227 178027000 /nfs/dbraw/zinc/02/70/00/178027000.db2.gz IDBVRZDQHOOBEE-UHFFFAOYSA-N 1 0 232.352 3.050 10 0 BGAERO C[NH2+]Cc1cnc(-c2cc(C)sc2C)s1 ZINC000049685617 173392086 /nfs/dbraw/zinc/39/20/86/173392086.db2.gz MJKYCXOCSYZQMA-UHFFFAOYSA-N 1 0 238.381 3.208 10 0 BGAERO C[NH2+]Cc1csc(-c2cc(C)sc2C)n1 ZINC000049685644 173392898 /nfs/dbraw/zinc/39/28/98/173392898.db2.gz DDZIXBDDUUADRC-UHFFFAOYSA-N 1 0 238.381 3.208 10 0 BGAERO Cc1cc(C[NH2+]CC[C@@H]2CCCO2)c(C)s1 ZINC000049686985 491114725 /nfs/dbraw/zinc/11/47/25/491114725.db2.gz IAHMWYIYTWVVIY-ZDUSSCGKSA-N 1 0 239.384 3.024 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2cc(C)ccc2C)C[C@@H]1C ZINC000049694073 132356708 /nfs/dbraw/zinc/35/67/08/132356708.db2.gz HJZATFRDSZZIBR-LSDHHAIUSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@H]1CCN(c2cc(C)ccc2C)C[C@@H]1C ZINC000049694075 132356709 /nfs/dbraw/zinc/35/67/09/132356709.db2.gz HJZATFRDSZZIBR-GJZGRUSLSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2cc(C)ccc2C)[C@H](C)C1 ZINC000049694093 132356660 /nfs/dbraw/zinc/35/66/60/132356660.db2.gz DGRHHJDSQCZKFS-HUUCEWRRSA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+][C@H]1CCN(c2cc(C)ccc2C)[C@H](C)C1 ZINC000049694094 132356684 /nfs/dbraw/zinc/35/66/84/132356684.db2.gz DGRHHJDSQCZKFS-CABCVRRESA-N 1 0 246.398 3.270 10 0 BGAERO C[C@@H]1CN(c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000049694267 132356661 /nfs/dbraw/zinc/35/66/61/132356661.db2.gz PIQHYQKURWOMTH-DOMZBBRYSA-N 1 0 240.350 3.013 10 0 BGAERO C[C@H]1CN(c2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000049694268 132356733 /nfs/dbraw/zinc/35/67/33/132356733.db2.gz PIQHYQKURWOMTH-WFASDCNBSA-N 1 0 240.350 3.013 10 0 BGAERO C[C@@H]1C[C@H]([NH3+])CCN1c1cccc2ccccc21 ZINC000049694277 132356837 /nfs/dbraw/zinc/35/68/37/132356837.db2.gz XAMSUGQEBHQUTQ-TZMCWYRMSA-N 1 0 240.350 3.156 10 0 BGAERO C[C@H]1C[C@H]([NH3+])CCN1c1cccc2ccccc21 ZINC000049694278 132356687 /nfs/dbraw/zinc/35/66/87/132356687.db2.gz XAMSUGQEBHQUTQ-GXTWGEPZSA-N 1 0 240.350 3.156 10 0 BGAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1cccc2ccccc21 ZINC000049694279 132356663 /nfs/dbraw/zinc/35/66/63/132356663.db2.gz XAMSUGQEBHQUTQ-OCCSQVGLSA-N 1 0 240.350 3.156 10 0 BGAERO C[C@H]1C[C@@H]([NH3+])CCN1c1cccc2ccccc21 ZINC000049694280 132356835 /nfs/dbraw/zinc/35/68/35/132356835.db2.gz XAMSUGQEBHQUTQ-JSGCOSHPSA-N 1 0 240.350 3.156 10 0 BGAERO C[C@@H]1CN(c2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000049694303 132356674 /nfs/dbraw/zinc/35/66/74/132356674.db2.gz BWXUWATUPPMXAN-DOMZBBRYSA-N 1 0 246.398 3.158 10 0 BGAERO C[C@H]1CN(c2ccc(C(C)(C)C)cc2)CC[C@@H]1[NH3+] ZINC000049694304 132356734 /nfs/dbraw/zinc/35/67/34/132356734.db2.gz BWXUWATUPPMXAN-WFASDCNBSA-N 1 0 246.398 3.158 10 0 BGAERO C[C@@H]1C[C@H]([NH3+])CCN1c1ccc(C(C)(C)C)cc1 ZINC000049694313 132356789 /nfs/dbraw/zinc/35/67/89/132356789.db2.gz AULJKUUOUHECJR-TZMCWYRMSA-N 1 0 246.398 3.300 10 0 BGAERO C[C@H]1C[C@H]([NH3+])CCN1c1ccc(C(C)(C)C)cc1 ZINC000049694314 132356686 /nfs/dbraw/zinc/35/66/86/132356686.db2.gz AULJKUUOUHECJR-GXTWGEPZSA-N 1 0 246.398 3.300 10 0 BGAERO C[C@@H]1C[C@@H]([NH3+])CCN1c1ccc(C(C)(C)C)cc1 ZINC000049694315 132356796 /nfs/dbraw/zinc/35/67/96/132356796.db2.gz AULJKUUOUHECJR-OCCSQVGLSA-N 1 0 246.398 3.300 10 0 BGAERO C[C@H]1C[C@@H]([NH3+])CCN1c1ccc(C(C)(C)C)cc1 ZINC000049694316 132356689 /nfs/dbraw/zinc/35/66/89/132356689.db2.gz AULJKUUOUHECJR-JSGCOSHPSA-N 1 0 246.398 3.300 10 0 BGAERO C[NH2+][C@H]1CCN(c2ccc(C(C)C)cc2)C[C@H]1C ZINC000049707399 132356766 /nfs/dbraw/zinc/35/67/66/132356766.db2.gz RNLVNKAIAYWSBF-CJNGLKHVSA-N 1 0 246.398 3.244 10 0 BGAERO C[NH2+][C@H]1CCN(c2ccc(C(C)C)cc2)C[C@@H]1C ZINC000049707400 132356677 /nfs/dbraw/zinc/35/66/77/132356677.db2.gz RNLVNKAIAYWSBF-BBRMVZONSA-N 1 0 246.398 3.244 10 0 BGAERO CC(C)c1ccc(N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000049707407 132356780 /nfs/dbraw/zinc/35/67/80/132356780.db2.gz OMEDUPMHKRITDK-TZMCWYRMSA-N 1 0 232.371 3.126 10 0 BGAERO CC(C)c1ccc(N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000049707409 535372545 /nfs/dbraw/zinc/37/25/45/535372545.db2.gz OMEDUPMHKRITDK-OCCSQVGLSA-N 1 0 232.371 3.126 10 0 BGAERO CC(C)c1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049707410 535372422 /nfs/dbraw/zinc/37/24/22/535372422.db2.gz OMEDUPMHKRITDK-JSGCOSHPSA-N 1 0 232.371 3.126 10 0 BGAERO C[NH2+][C@@H]1CCN(c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000049707411 536377662 /nfs/dbraw/zinc/37/76/62/536377662.db2.gz MEOBFMKRQCWJJZ-UKRRQHHQSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@@H]1CCN(c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000049707412 536377958 /nfs/dbraw/zinc/37/79/58/536377958.db2.gz MEOBFMKRQCWJJZ-DZGCQCFKSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@H]1CCN(c2ccc(C(C)C)cc2)[C@H](C)C1 ZINC000049707413 132356702 /nfs/dbraw/zinc/35/67/02/132356702.db2.gz MEOBFMKRQCWJJZ-HIFRSBDPSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@H]1CCN(c2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC000049707414 132356680 /nfs/dbraw/zinc/35/66/80/132356680.db2.gz MEOBFMKRQCWJJZ-ZFWWWQNUSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@H]1CCN(c2ccccc2C(C)C)C[C@H]1C ZINC000049707554 132356959 /nfs/dbraw/zinc/35/69/59/132356959.db2.gz XBOHZRRDYNEJFB-HIFRSBDPSA-N 1 0 246.398 3.244 10 0 BGAERO C[NH2+][C@H]1CCN(c2ccccc2C(C)C)C[C@@H]1C ZINC000049707555 132356903 /nfs/dbraw/zinc/35/69/03/132356903.db2.gz XBOHZRRDYNEJFB-ZFWWWQNUSA-N 1 0 246.398 3.244 10 0 BGAERO CC(C)c1ccccc1N1CC[C@@H]([NH3+])C[C@H]1C ZINC000049707562 132356941 /nfs/dbraw/zinc/35/69/41/132356941.db2.gz IXHFHXDSZGIDNP-CHWSQXEVSA-N 1 0 232.371 3.126 10 0 BGAERO CC(C)c1ccccc1N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000049707564 132356988 /nfs/dbraw/zinc/35/69/88/132356988.db2.gz IXHFHXDSZGIDNP-QWHCGFSZSA-N 1 0 232.371 3.126 10 0 BGAERO CC(C)c1ccccc1N1CC[C@H]([NH3+])C[C@H]1C ZINC000049707565 132356980 /nfs/dbraw/zinc/35/69/80/132356980.db2.gz IXHFHXDSZGIDNP-OLZOCXBDSA-N 1 0 232.371 3.126 10 0 BGAERO CC(C)c1ccccc1N1CC[C@H]([NH3+])C[C@@H]1C ZINC000049707567 132356957 /nfs/dbraw/zinc/35/69/57/132356957.db2.gz IXHFHXDSZGIDNP-STQMWFEESA-N 1 0 232.371 3.126 10 0 BGAERO C[NH2+][C@@H]1CCN(c2ccccc2C(C)C)[C@H](C)C1 ZINC000049707568 536378193 /nfs/dbraw/zinc/37/81/93/536378193.db2.gz GQCSMIITZKMSNJ-ZIAGYGMSSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@@H]1CCN(c2ccccc2C(C)C)[C@@H](C)C1 ZINC000049707570 536378407 /nfs/dbraw/zinc/37/84/07/536378407.db2.gz GQCSMIITZKMSNJ-UONOGXRCSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@H]1CCN(c2ccccc2C(C)C)[C@H](C)C1 ZINC000049707571 132357008 /nfs/dbraw/zinc/35/70/08/132357008.db2.gz GQCSMIITZKMSNJ-KGLIPLIRSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@H]1CCN(c2ccccc2C(C)C)[C@@H](C)C1 ZINC000049707573 132356946 /nfs/dbraw/zinc/35/69/46/132356946.db2.gz GQCSMIITZKMSNJ-KBPBESRZSA-N 1 0 246.398 3.387 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccccc2CC)C[C@H]1C ZINC000049708593 132357188 /nfs/dbraw/zinc/35/71/88/132357188.db2.gz MGPUCIWFZBVWOO-HIFRSBDPSA-N 1 0 246.398 3.073 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccccc2CC)C[C@H]1C ZINC000049708594 132357227 /nfs/dbraw/zinc/35/72/27/132357227.db2.gz MGPUCIWFZBVWOO-UKRRQHHQSA-N 1 0 246.398 3.073 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccccc2CC)[C@@H](C)C1 ZINC000049708606 132357283 /nfs/dbraw/zinc/35/72/83/132357283.db2.gz WNYCVEXAFSTYRH-ZFWWWQNUSA-N 1 0 246.398 3.216 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccccc2CC)[C@@H](C)C1 ZINC000049708607 132357288 /nfs/dbraw/zinc/35/72/88/132357288.db2.gz WNYCVEXAFSTYRH-DZGCQCFKSA-N 1 0 246.398 3.216 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccc(CC)cc2)C[C@H]1C ZINC000049708822 132357197 /nfs/dbraw/zinc/35/71/97/132357197.db2.gz NIEQJAMJUJZAHP-CJNGLKHVSA-N 1 0 246.398 3.073 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccc(CC)cc2)C[C@H]1C ZINC000049708824 132357239 /nfs/dbraw/zinc/35/72/39/132357239.db2.gz NIEQJAMJUJZAHP-CZUORRHYSA-N 1 0 246.398 3.073 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccc(CC)cc2)[C@@H](C)C1 ZINC000049708839 132357249 /nfs/dbraw/zinc/35/72/49/132357249.db2.gz XYSKGETUDYFMJO-ZFWWWQNUSA-N 1 0 246.398 3.216 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccc(CC)cc2)[C@@H](C)C1 ZINC000049708841 132357285 /nfs/dbraw/zinc/35/72/85/132357285.db2.gz XYSKGETUDYFMJO-DZGCQCFKSA-N 1 0 246.398 3.216 10 0 BGAERO CCC[NH2+][C@@H]1CCN(c2ccccc2)[C@H](C)C1 ZINC000049709232 535187994 /nfs/dbraw/zinc/18/79/94/535187994.db2.gz MDEZBHDSMRTMMX-ZIAGYGMSSA-N 1 0 232.371 3.044 10 0 BGAERO CCC[NH2+][C@H]1CCN(c2ccccc2)[C@H](C)C1 ZINC000049709234 535192004 /nfs/dbraw/zinc/19/20/04/535192004.db2.gz MDEZBHDSMRTMMX-KGLIPLIRSA-N 1 0 232.371 3.044 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2C)C[C@@H]1C ZINC000049709242 132357369 /nfs/dbraw/zinc/35/73/69/132357369.db2.gz UIPMPWUSKFBETQ-LSDHHAIUSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2C)C[C@@H]1C ZINC000049709243 132357378 /nfs/dbraw/zinc/35/73/78/132357378.db2.gz UIPMPWUSKFBETQ-GJZGRUSLSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccc(C)cc2C)[C@H](C)C1 ZINC000049709258 132357344 /nfs/dbraw/zinc/35/73/44/132357344.db2.gz WMWXTRBDGGHUCN-HUUCEWRRSA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccc(C)cc2C)[C@H](C)C1 ZINC000049709260 132357363 /nfs/dbraw/zinc/35/73/63/132357363.db2.gz WMWXTRBDGGHUCN-CABCVRRESA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000049709272 132357314 /nfs/dbraw/zinc/35/73/14/132357314.db2.gz MBSUHIXRHGBQIZ-GOEBONIOSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccc(C)c(C)c2)C[C@@H]1C ZINC000049709273 132357416 /nfs/dbraw/zinc/35/74/16/132357416.db2.gz MBSUHIXRHGBQIZ-HOCLYGCPSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000049709288 132357421 /nfs/dbraw/zinc/35/74/21/132357421.db2.gz OZRSVWXDAZWIOF-HUUCEWRRSA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+][C@H]1CCN(c2ccc(C)c(C)c2)[C@H](C)C1 ZINC000049709290 132357385 /nfs/dbraw/zinc/35/73/85/132357385.db2.gz OZRSVWXDAZWIOF-CABCVRRESA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2cccc(C)c2C)C[C@@H]1C ZINC000049709300 132357339 /nfs/dbraw/zinc/35/73/39/132357339.db2.gz WIUFEIAVHYFNFH-DZGCQCFKSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@H]1CCN(c2cccc(C)c2C)C[C@@H]1C ZINC000049709302 132357394 /nfs/dbraw/zinc/35/73/94/132357394.db2.gz WIUFEIAVHYFNFH-ZFWWWQNUSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2cccc(C)c2C)[C@H](C)C1 ZINC000049709317 132357371 /nfs/dbraw/zinc/35/73/71/132357371.db2.gz PZBNXNHIAWYETD-UKRRQHHQSA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+][C@H]1CCN(c2cccc(C)c2C)[C@H](C)C1 ZINC000049709319 132357434 /nfs/dbraw/zinc/35/74/34/132357434.db2.gz PZBNXNHIAWYETD-HIFRSBDPSA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+][C@H]1CCN(c2cccc(CC)c2)C[C@H]1C ZINC000049709404 132357400 /nfs/dbraw/zinc/35/74/00/132357400.db2.gz IZAQYBFTPFTQSX-CJNGLKHVSA-N 1 0 246.398 3.073 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2cccc(CC)c2)C[C@H]1C ZINC000049709407 132357412 /nfs/dbraw/zinc/35/74/12/132357412.db2.gz IZAQYBFTPFTQSX-CZUORRHYSA-N 1 0 246.398 3.073 10 0 BGAERO CC[NH2+][C@H]1CCN(c2cccc(CC)c2)[C@@H](C)C1 ZINC000049709419 132357326 /nfs/dbraw/zinc/35/73/26/132357326.db2.gz LHCBYDPSQBLZTR-ZFWWWQNUSA-N 1 0 246.398 3.216 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2cccc(CC)c2)[C@@H](C)C1 ZINC000049709421 132357351 /nfs/dbraw/zinc/35/73/51/132357351.db2.gz LHCBYDPSQBLZTR-DZGCQCFKSA-N 1 0 246.398 3.216 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2cc(C)cc(C)c2)C[C@@H]1C ZINC000049709590 132357322 /nfs/dbraw/zinc/35/73/22/132357322.db2.gz KWPWZZVEPUAGQH-GOEBONIOSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@H]1CCN(c2cc(C)cc(C)c2)C[C@@H]1C ZINC000049709593 132357338 /nfs/dbraw/zinc/35/73/38/132357338.db2.gz KWPWZZVEPUAGQH-HOCLYGCPSA-N 1 0 246.398 3.128 10 0 BGAERO CC[NH2+][C@@H]1CCN(c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000049709614 132357374 /nfs/dbraw/zinc/35/73/74/132357374.db2.gz QNUUKVSAEWZKEB-HUUCEWRRSA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+][C@H]1CCN(c2cc(C)cc(C)c2)[C@H](C)C1 ZINC000049709616 132357382 /nfs/dbraw/zinc/35/73/82/132357382.db2.gz QNUUKVSAEWZKEB-CABCVRRESA-N 1 0 246.398 3.270 10 0 BGAERO CCC[NH2+][C@@H]1CCN(c2cccc(C)c2)C[C@@H]1C ZINC000049709786 535187615 /nfs/dbraw/zinc/18/76/15/535187615.db2.gz LQMRDPHQFTTWHZ-GOEBONIOSA-N 1 0 246.398 3.209 10 0 BGAERO CCC[NH2+][C@H]1CCN(c2cccc(C)c2)C[C@@H]1C ZINC000049709789 535192083 /nfs/dbraw/zinc/19/20/83/535192083.db2.gz LQMRDPHQFTTWHZ-HOCLYGCPSA-N 1 0 246.398 3.209 10 0 BGAERO CCC[NH2+][C@@H]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000049709813 535188106 /nfs/dbraw/zinc/18/81/06/535188106.db2.gz KKBSRGSIQBCUFZ-HUUCEWRRSA-N 1 0 246.398 3.352 10 0 BGAERO CCC[NH2+][C@H]1CCN(c2cccc(C)c2)[C@H](C)C1 ZINC000049709816 535192068 /nfs/dbraw/zinc/19/20/68/535192068.db2.gz KKBSRGSIQBCUFZ-CABCVRRESA-N 1 0 246.398 3.352 10 0 BGAERO CCC[NH2+][C@@H]1CCN(c2ccc(C)cc2)C[C@@H]1C ZINC000049709881 535187590 /nfs/dbraw/zinc/18/75/90/535187590.db2.gz PNDZORNLHYTWSR-GOEBONIOSA-N 1 0 246.398 3.209 10 0 BGAERO CCC[NH2+][C@H]1CCN(c2ccc(C)cc2)C[C@@H]1C ZINC000049709884 535191797 /nfs/dbraw/zinc/19/17/97/535191797.db2.gz PNDZORNLHYTWSR-HOCLYGCPSA-N 1 0 246.398 3.209 10 0 BGAERO CCC[NH2+][C@@H]1CCN(c2ccc(C)cc2)[C@H](C)C1 ZINC000049709903 535188188 /nfs/dbraw/zinc/18/81/88/535188188.db2.gz JZAZYMUEMAUGQJ-HUUCEWRRSA-N 1 0 246.398 3.352 10 0 BGAERO CCC[NH2+][C@H]1CCN(c2ccc(C)cc2)[C@H](C)C1 ZINC000049709904 535192229 /nfs/dbraw/zinc/19/22/29/535192229.db2.gz JZAZYMUEMAUGQJ-CABCVRRESA-N 1 0 246.398 3.352 10 0 BGAERO CCC[NH2+][C@@H]1CCN(c2ccccc2C)C[C@@H]1C ZINC000049709958 535187728 /nfs/dbraw/zinc/18/77/28/535187728.db2.gz UBMWPMCDTOUFLK-LSDHHAIUSA-N 1 0 246.398 3.209 10 0 BGAERO CCC[NH2+][C@H]1CCN(c2ccccc2C)C[C@@H]1C ZINC000049709959 535191863 /nfs/dbraw/zinc/19/18/63/535191863.db2.gz UBMWPMCDTOUFLK-GJZGRUSLSA-N 1 0 246.398 3.209 10 0 BGAERO CCC[NH2+][C@@H]1CCN(c2ccccc2C)[C@H](C)C1 ZINC000049709979 535188084 /nfs/dbraw/zinc/18/80/84/535188084.db2.gz WCZCPBIEJSFZKK-HUUCEWRRSA-N 1 0 246.398 3.352 10 0 BGAERO CCC[NH2+][C@H]1CCN(c2ccccc2C)[C@H](C)C1 ZINC000049709982 535191608 /nfs/dbraw/zinc/19/16/08/535191608.db2.gz WCZCPBIEJSFZKK-CABCVRRESA-N 1 0 246.398 3.352 10 0 BGAERO C[NH2+][C@H]1CCN(c2cccc(C(C)C)c2)C[C@H]1C ZINC000049710206 132357546 /nfs/dbraw/zinc/35/75/46/132357546.db2.gz WCMJADREUFNAGY-CJNGLKHVSA-N 1 0 246.398 3.244 10 0 BGAERO C[NH2+][C@H]1CCN(c2cccc(C(C)C)c2)C[C@@H]1C ZINC000049710208 132357497 /nfs/dbraw/zinc/35/74/97/132357497.db2.gz WCMJADREUFNAGY-BBRMVZONSA-N 1 0 246.398 3.244 10 0 BGAERO CC(C)c1cccc(N2CC[C@@H]([NH3+])C[C@H]2C)c1 ZINC000049710223 132357481 /nfs/dbraw/zinc/35/74/81/132357481.db2.gz WRHRKHDNENYZHQ-TZMCWYRMSA-N 1 0 232.371 3.126 10 0 BGAERO CC(C)c1cccc(N2CC[C@@H]([NH3+])C[C@@H]2C)c1 ZINC000049710225 132357498 /nfs/dbraw/zinc/35/74/98/132357498.db2.gz WRHRKHDNENYZHQ-GXTWGEPZSA-N 1 0 232.371 3.126 10 0 BGAERO CC(C)c1cccc(N2CC[C@H]([NH3+])C[C@H]2C)c1 ZINC000049710226 132357572 /nfs/dbraw/zinc/35/75/72/132357572.db2.gz WRHRKHDNENYZHQ-OCCSQVGLSA-N 1 0 232.371 3.126 10 0 BGAERO CC(C)c1cccc(N2CC[C@H]([NH3+])C[C@@H]2C)c1 ZINC000049710228 132357589 /nfs/dbraw/zinc/35/75/89/132357589.db2.gz WRHRKHDNENYZHQ-JSGCOSHPSA-N 1 0 232.371 3.126 10 0 BGAERO C[NH2+][C@@H]1CCN(c2cccc(C(C)C)c2)[C@H](C)C1 ZINC000049710229 536378396 /nfs/dbraw/zinc/37/83/96/536378396.db2.gz LEAHUBOMGBHHPR-UKRRQHHQSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@@H]1CCN(c2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000049710230 536378207 /nfs/dbraw/zinc/37/82/07/536378207.db2.gz LEAHUBOMGBHHPR-DZGCQCFKSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@H]1CCN(c2cccc(C(C)C)c2)[C@H](C)C1 ZINC000049710232 132357583 /nfs/dbraw/zinc/35/75/83/132357583.db2.gz LEAHUBOMGBHHPR-HIFRSBDPSA-N 1 0 246.398 3.387 10 0 BGAERO C[NH2+][C@H]1CCN(c2cccc(C(C)C)c2)[C@@H](C)C1 ZINC000049710235 132357549 /nfs/dbraw/zinc/35/75/49/132357549.db2.gz LEAHUBOMGBHHPR-ZFWWWQNUSA-N 1 0 246.398 3.387 10 0 BGAERO CCCCc1ccc(N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000049710904 132357782 /nfs/dbraw/zinc/35/77/82/132357782.db2.gz MCTPLEBAFHSLNG-CJNGLKHVSA-N 1 0 246.398 3.203 10 0 BGAERO CCCCc1ccc(N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000049710905 132357765 /nfs/dbraw/zinc/35/77/65/132357765.db2.gz MCTPLEBAFHSLNG-CZUORRHYSA-N 1 0 246.398 3.203 10 0 BGAERO CCCCc1ccc(N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000049710925 132357754 /nfs/dbraw/zinc/35/77/54/132357754.db2.gz YGNSCHPVJLDAQN-ZFWWWQNUSA-N 1 0 246.398 3.345 10 0 BGAERO CCCCc1ccc(N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000049710927 132357748 /nfs/dbraw/zinc/35/77/48/132357748.db2.gz YGNSCHPVJLDAQN-DZGCQCFKSA-N 1 0 246.398 3.345 10 0 BGAERO CCCc1ccc(N2CC[C@H]([NH2+]C)[C@H](C)C2)cc1 ZINC000049710943 132357771 /nfs/dbraw/zinc/35/77/71/132357771.db2.gz DUAOITDUJVLTAX-CJNGLKHVSA-N 1 0 246.398 3.073 10 0 BGAERO CCCc1ccc(N2CC[C@@H]([NH2+]C)[C@H](C)C2)cc1 ZINC000049710945 132357689 /nfs/dbraw/zinc/35/76/89/132357689.db2.gz DUAOITDUJVLTAX-CZUORRHYSA-N 1 0 246.398 3.073 10 0 BGAERO CCCc1ccc(N2CC[C@H]([NH2+]C)C[C@@H]2C)cc1 ZINC000049710961 132357722 /nfs/dbraw/zinc/35/77/22/132357722.db2.gz MCZFTSKJVKHZAT-ZFWWWQNUSA-N 1 0 246.398 3.216 10 0 BGAERO CCCc1ccc(N2CC[C@@H]([NH2+]C)C[C@@H]2C)cc1 ZINC000049710962 132357718 /nfs/dbraw/zinc/35/77/18/132357718.db2.gz MCZFTSKJVKHZAT-DZGCQCFKSA-N 1 0 246.398 3.216 10 0 BGAERO Cc1ccccc1[C@@H](C)[N@@H+]1CCC(=O)C[C@@H]1C ZINC000049713913 179316915 /nfs/dbraw/zinc/31/69/15/179316915.db2.gz GUDFSECLJIOZMQ-QWHCGFSZSA-N 1 0 231.339 3.109 10 0 BGAERO Cc1ccccc1[C@H](C)[N@@H+]1CCC(=O)C[C@@H]1C ZINC000049713914 179333887 /nfs/dbraw/zinc/33/38/87/179333887.db2.gz GUDFSECLJIOZMQ-STQMWFEESA-N 1 0 231.339 3.109 10 0 BGAERO CCCc1ccccc1N1CC[C@H]([NH2+]C)[C@H](C)C1 ZINC000049714215 132358156 /nfs/dbraw/zinc/35/81/56/132358156.db2.gz DUNXRSWEIATCPW-HIFRSBDPSA-N 1 0 246.398 3.073 10 0 BGAERO CCCc1ccccc1N1CC[C@@H]([NH2+]C)[C@H](C)C1 ZINC000049714216 132358140 /nfs/dbraw/zinc/35/81/40/132358140.db2.gz DUNXRSWEIATCPW-UKRRQHHQSA-N 1 0 246.398 3.073 10 0 BGAERO CCCc1ccccc1N1CC[C@H]([NH2+]C)C[C@@H]1C ZINC000049714225 132358036 /nfs/dbraw/zinc/35/80/36/132358036.db2.gz URIDTIZVZTZOER-ZFWWWQNUSA-N 1 0 246.398 3.216 10 0 BGAERO CCCc1ccccc1N1CC[C@@H]([NH2+]C)C[C@@H]1C ZINC000049714226 132358102 /nfs/dbraw/zinc/35/81/02/132358102.db2.gz URIDTIZVZTZOER-DZGCQCFKSA-N 1 0 246.398 3.216 10 0 BGAERO CCC[NH2+]Cc1ccccc1N1C[C@H]2CC[C@@H]1C2 ZINC000049716440 169267742 /nfs/dbraw/zinc/26/77/42/169267742.db2.gz BVTQTBVLTKZQLT-DZGCQCFKSA-N 1 0 244.382 3.175 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1N1C[C@H]2CC[C@@H]1C2 ZINC000049716441 167121866 /nfs/dbraw/zinc/12/18/66/167121866.db2.gz VSGSSFIZWJHDOU-DZGCQCFKSA-N 1 0 244.382 3.173 10 0 BGAERO c1cc2c(cc1C[N@@H+]1C[C@H]3CC[C@@H]1C3)CCCN2 ZINC000049717023 183367660 /nfs/dbraw/zinc/36/76/60/183367660.db2.gz JBURWLLCXOHIDQ-DZGCQCFKSA-N 1 0 242.366 3.029 10 0 BGAERO CC[NH2+][C@@H](C)c1cccc(NC(=O)CC2CC2)c1 ZINC000049728892 170141770 /nfs/dbraw/zinc/14/17/70/170141770.db2.gz QPOGPGFJDNQYMY-NSHDSACASA-N 1 0 246.354 3.096 10 0 BGAERO CC[NH2+][C@H](C)c1cccc(NC(=O)CC2CC2)c1 ZINC000049728894 170160436 /nfs/dbraw/zinc/16/04/36/170160436.db2.gz QPOGPGFJDNQYMY-LLVKDONJSA-N 1 0 246.354 3.096 10 0 BGAERO COc1ccc([C@H]([NH3+])CC2CC2)cc1Cl ZINC000049729424 175191538 /nfs/dbraw/zinc/19/15/38/175191538.db2.gz BMGNEXJJAFLQSA-LLVKDONJSA-N 1 0 225.719 3.149 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC2CC2)cc1Cl ZINC000049729426 175179129 /nfs/dbraw/zinc/17/91/29/175179129.db2.gz BMGNEXJJAFLQSA-NSHDSACASA-N 1 0 225.719 3.149 10 0 BGAERO C[NH2+][C@@H](CC1CC1)c1cc(C)sc1C ZINC000049729735 173422011 /nfs/dbraw/zinc/42/20/11/173422011.db2.gz OVSXZDADDLKDAW-LBPRGKRZSA-N 1 0 209.358 3.426 10 0 BGAERO CC[NH2+][C@@H](CC1CC1)c1cc(OC)ccc1OC ZINC000049729903 170144232 /nfs/dbraw/zinc/14/42/32/170144232.db2.gz AGDREEQLUCHSMP-AWEZNQCLSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@H](CC1CC1)c1cc(OC)ccc1OC ZINC000049729905 170161981 /nfs/dbraw/zinc/16/19/81/170161981.db2.gz AGDREEQLUCHSMP-CQSZACIVSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H](CC1CC1)c1cc(F)ccc1OC ZINC000049730014 170143818 /nfs/dbraw/zinc/14/38/18/170143818.db2.gz RJEFEDQRUXQAAN-ZDUSSCGKSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@H](CC1CC1)c1cc(F)ccc1OC ZINC000049730016 170161370 /nfs/dbraw/zinc/16/13/70/170161370.db2.gz RJEFEDQRUXQAAN-CYBMUJFWSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@@H](CC1CC1)c1ccc2c(c1)C[C@H](C)O2 ZINC000049730081 170144239 /nfs/dbraw/zinc/14/42/39/170144239.db2.gz AOJOPNLPMJESSF-NHYWBVRUSA-N 1 0 245.366 3.461 10 0 BGAERO CC[NH2+][C@H](CC1CC1)c1ccc2c(c1)C[C@H](C)O2 ZINC000049730083 170161939 /nfs/dbraw/zinc/16/19/39/170161939.db2.gz AOJOPNLPMJESSF-XHDPSFHLSA-N 1 0 245.366 3.461 10 0 BGAERO CC[NH2+][C@@H](CC1CC1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000049730085 170143717 /nfs/dbraw/zinc/14/37/17/170143717.db2.gz AOJOPNLPMJESSF-ABAIWWIYSA-N 1 0 245.366 3.461 10 0 BGAERO CC[NH2+][C@H](CC1CC1)c1ccc2c(c1)C[C@@H](C)O2 ZINC000049730087 170161741 /nfs/dbraw/zinc/16/17/41/170161741.db2.gz AOJOPNLPMJESSF-IAQYHMDHSA-N 1 0 245.366 3.461 10 0 BGAERO CC[NH2+][C@@H](CC1CC1)c1ccc(OC)c(F)c1 ZINC000049730103 170144250 /nfs/dbraw/zinc/14/42/50/170144250.db2.gz JKMBROXUYIBXJD-ZDUSSCGKSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@H](CC1CC1)c1ccc(OC)c(F)c1 ZINC000049730105 170161845 /nfs/dbraw/zinc/16/18/45/170161845.db2.gz JKMBROXUYIBXJD-CYBMUJFWSA-N 1 0 237.318 3.285 10 0 BGAERO COc1ccc([C@H]([NH3+])CC2CC2)c(Cl)c1 ZINC000049730343 175191882 /nfs/dbraw/zinc/19/18/82/175191882.db2.gz BWVIOLUEEQRFAR-GFCCVEGCSA-N 1 0 225.719 3.149 10 0 BGAERO COc1ccc([C@@H]([NH3+])CC2CC2)c(Cl)c1 ZINC000049730346 175179407 /nfs/dbraw/zinc/17/94/07/175179407.db2.gz BWVIOLUEEQRFAR-LBPRGKRZSA-N 1 0 225.719 3.149 10 0 BGAERO CC[NH2+][C@@H](CC1CC1)c1ccc2c(c1)CCCO2 ZINC000049730454 170144009 /nfs/dbraw/zinc/14/40/09/170144009.db2.gz BASMJTWQDVAHAX-HNNXBMFYSA-N 1 0 245.366 3.462 10 0 BGAERO CC[NH2+][C@H](CC1CC1)c1ccc2c(c1)CCCO2 ZINC000049730456 170161797 /nfs/dbraw/zinc/16/17/97/170161797.db2.gz BASMJTWQDVAHAX-OAHLLOKOSA-N 1 0 245.366 3.462 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccc(OC)cc1)CC1CC1 ZINC000049731104 169279642 /nfs/dbraw/zinc/27/96/42/169279642.db2.gz HYXUAOSUVCVQGM-OAHLLOKOSA-N 1 0 247.382 3.406 10 0 BGAERO CCC[NH2+][C@H](Cc1ccc(OC)cc1)CC1CC1 ZINC000049731106 169289559 /nfs/dbraw/zinc/28/95/59/169289559.db2.gz HYXUAOSUVCVQGM-HNNXBMFYSA-N 1 0 247.382 3.406 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccc1OC)CC1CC1 ZINC000049731157 170146836 /nfs/dbraw/zinc/14/68/36/170146836.db2.gz HJFCEPPNUIXUKV-CQSZACIVSA-N 1 0 233.355 3.016 10 0 BGAERO CC[NH2+][C@H](Cc1ccccc1OC)CC1CC1 ZINC000049731158 170163128 /nfs/dbraw/zinc/16/31/28/170163128.db2.gz HJFCEPPNUIXUKV-AWEZNQCLSA-N 1 0 233.355 3.016 10 0 BGAERO Cc1cccc(C)c1OCC[NH2+]CCC(C)C ZINC000049752898 179046206 /nfs/dbraw/zinc/04/62/06/179046206.db2.gz LLLADJLUEWFYIV-UHFFFAOYSA-N 1 0 235.371 3.318 10 0 BGAERO CCc1cccc(OCC[NH2+]CCC(C)C)c1 ZINC000049752904 171865940 /nfs/dbraw/zinc/86/59/40/171865940.db2.gz FUNQGYRFIGWTTG-UHFFFAOYSA-N 1 0 235.371 3.264 10 0 BGAERO CCC(CC)[NH2+]CCOc1cc(C)ccc1C ZINC000049773208 168388531 /nfs/dbraw/zinc/38/85/31/168388531.db2.gz VPHYRYSNLPEJCM-UHFFFAOYSA-N 1 0 235.371 3.460 10 0 BGAERO Cc1nc([C@@H]([NH3+])c2cccc(C)c2C)sc1C ZINC000049796233 179200778 /nfs/dbraw/zinc/20/07/78/179200778.db2.gz QHDSZVBXUHIKNG-ZDUSSCGKSA-N 1 0 246.379 3.425 10 0 BGAERO Cc1nc([C@H]([NH3+])c2cccc(C)c2C)sc1C ZINC000049796235 179185884 /nfs/dbraw/zinc/18/58/84/179185884.db2.gz QHDSZVBXUHIKNG-CYBMUJFWSA-N 1 0 246.379 3.425 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+]CCOc2ccccc2)[C@@H]1C ZINC000049799967 176143497 /nfs/dbraw/zinc/14/34/97/176143497.db2.gz JIDFAHJKJVNZSA-FMKPAKJESA-N 1 0 247.382 3.480 10 0 BGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]CCOc1ccccc1 ZINC000049799968 177137346 /nfs/dbraw/zinc/13/73/46/177137346.db2.gz JIDFAHJKJVNZSA-LZWOXQAQSA-N 1 0 247.382 3.480 10 0 BGAERO C[C@@H]1CCC[C@@H]([NH2+]CCOc2ccccc2)[C@@H]1C ZINC000049799969 176123473 /nfs/dbraw/zinc/12/34/73/176123473.db2.gz JIDFAHJKJVNZSA-IIAWOOMASA-N 1 0 247.382 3.480 10 0 BGAERO C[C@H]1[C@H]([NH2+]CCOc2ccccc2)CCC[C@@H]1C ZINC000049799970 177123024 /nfs/dbraw/zinc/12/30/24/177123024.db2.gz JIDFAHJKJVNZSA-SQWLQELKSA-N 1 0 247.382 3.480 10 0 BGAERO CCC(CC)(C[NH3+])Cc1ccc(C)cc1 ZINC000049804218 168323090 /nfs/dbraw/zinc/32/30/90/168323090.db2.gz QOEOERLETBXRMZ-UHFFFAOYSA-N 1 0 205.345 3.303 10 0 BGAERO CCC(CC)(C[NH3+])Cc1ccc(F)cc1 ZINC000049804222 168322952 /nfs/dbraw/zinc/32/29/52/168322952.db2.gz UMNWTKXYMXXABO-UHFFFAOYSA-N 1 0 209.308 3.133 10 0 BGAERO CCC(CC)(C[NH3+])Cc1ccccc1F ZINC000049804228 168323299 /nfs/dbraw/zinc/32/32/99/168323299.db2.gz VVUPPYBPPYIEOP-UHFFFAOYSA-N 1 0 209.308 3.133 10 0 BGAERO CCC(CC)(C[NH3+])Cc1ccccc1C ZINC000049804229 168322508 /nfs/dbraw/zinc/32/25/08/168322508.db2.gz YUEGBPVICQCCGR-UHFFFAOYSA-N 1 0 205.345 3.303 10 0 BGAERO CCC(CC)(C[NH3+])Cc1cccc(F)c1 ZINC000049804235 168323071 /nfs/dbraw/zinc/32/30/71/168323071.db2.gz JQUAYBOAZRWSCV-UHFFFAOYSA-N 1 0 209.308 3.133 10 0 BGAERO CCC(CC)(C[NH3+])Cc1ccccc1OC ZINC000049804242 168323105 /nfs/dbraw/zinc/32/31/05/168323105.db2.gz KJIWYRPJNUGNGI-UHFFFAOYSA-N 1 0 221.344 3.003 10 0 BGAERO CCC(CC)(C[NH3+])Cc1cccc(OC)c1 ZINC000049804243 168322555 /nfs/dbraw/zinc/32/25/55/168322555.db2.gz LXWVULLVFYINIB-UHFFFAOYSA-N 1 0 221.344 3.003 10 0 BGAERO CCC(CC)(C[NH3+])Cc1cc(C)ccc1OC ZINC000049804250 168322726 /nfs/dbraw/zinc/32/27/26/168322726.db2.gz NOWBKGVGKAEFKZ-UHFFFAOYSA-N 1 0 235.371 3.311 10 0 BGAERO Cc1ccccc1-c1ccc([C@@H](C)[NH3+])o1 ZINC000049812283 179236196 /nfs/dbraw/zinc/23/61/96/179236196.db2.gz XIOQFSKMNOGMDO-SNVBAGLBSA-N 1 0 201.269 3.275 10 0 BGAERO Cc1ccccc1-c1ccc([C@H](C)[NH3+])o1 ZINC000049812284 179236512 /nfs/dbraw/zinc/23/65/12/179236512.db2.gz XIOQFSKMNOGMDO-JTQLQIEISA-N 1 0 201.269 3.275 10 0 BGAERO CC(C)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000049812738 167615087 /nfs/dbraw/zinc/61/50/87/167615087.db2.gz IXPJALPBJFRKNQ-CQSZACIVSA-N 1 0 203.329 3.277 10 0 BGAERO Cc1ccccc1-c1cc(C[NH3+])ccc1C ZINC000049815026 179235791 /nfs/dbraw/zinc/23/57/91/179235791.db2.gz YUNIDBVQZKFYPW-UHFFFAOYSA-N 1 0 211.308 3.429 10 0 BGAERO Cc1cccc(-c2cc(C[NH3+])ccc2C)c1 ZINC000049815027 178992399 /nfs/dbraw/zinc/99/23/99/178992399.db2.gz SCESZRSTNJJMSX-UHFFFAOYSA-N 1 0 211.308 3.429 10 0 BGAERO Cc1ccc(-c2cc(C[NH3+])ccc2C)cc1 ZINC000049815028 178320581 /nfs/dbraw/zinc/32/05/81/178320581.db2.gz OWRUSPLJPYIZAG-UHFFFAOYSA-N 1 0 211.308 3.429 10 0 BGAERO Cc1cccc(C)c1Nc1cc(N)cc[nH+]1 ZINC000049815385 179045363 /nfs/dbraw/zinc/04/53/63/179045363.db2.gz ZYNRCDGJVBOUHJ-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Cc1ccc(C[NH3+])cc1-c1ccccc1F ZINC000049815823 178561881 /nfs/dbraw/zinc/56/18/81/178561881.db2.gz CECFRGUBBGKQGD-UHFFFAOYSA-N 1 0 215.271 3.260 10 0 BGAERO CC(C)(C)c1ccc(CC2(C)C[NH2+]C2)cc1 ZINC000049816463 168053910 /nfs/dbraw/zinc/05/39/10/168053910.db2.gz RQBJSIWSRQRIDE-UHFFFAOYSA-N 1 0 217.356 3.136 10 0 BGAERO CC(C)(C)c1ccccc1NCCCC[NH3+] ZINC000049817994 188481863 /nfs/dbraw/zinc/48/18/63/188481863.db2.gz ZOCBWILDIZNJDZ-UHFFFAOYSA-N 1 0 220.360 3.135 10 0 BGAERO CC(C)c1ccccc1NC[C@@H](C)CC[NH3+] ZINC000049818010 167640389 /nfs/dbraw/zinc/64/03/89/167640389.db2.gz PGVRNUZKICJHGI-LBPRGKRZSA-N 1 0 220.360 3.207 10 0 BGAERO CC(C)c1ccc(NC[C@@H](C)CC[NH3+])cc1 ZINC000049818012 167604723 /nfs/dbraw/zinc/60/47/23/167604723.db2.gz CBBPNZGZDQRJKP-LBPRGKRZSA-N 1 0 220.360 3.207 10 0 BGAERO CCC[NH2+]CCC(=O)c1c(C)cc(C)cc1C ZINC000049818160 169256948 /nfs/dbraw/zinc/25/69/48/169256948.db2.gz PFZPOSRLENCOQM-UHFFFAOYSA-N 1 0 233.355 3.184 10 0 BGAERO CO[C@@H](CCC[NH3+])c1ccc(C(C)C)cc1 ZINC000049818687 174723536 /nfs/dbraw/zinc/72/35/36/174723536.db2.gz GMEKBFCTJRNSFN-AWEZNQCLSA-N 1 0 221.344 3.236 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-c2ccc(F)c(F)c2)o1 ZINC000049819096 175816822 /nfs/dbraw/zinc/81/68/22/175816822.db2.gz XULCEMDZZDTFPG-SSDOTTSWSA-N 1 0 223.222 3.245 10 0 BGAERO CCc1ccc(-c2cccc(CC[NH3+])c2)cc1 ZINC000049820205 387152216 /nfs/dbraw/zinc/15/22/16/387152216.db2.gz YYVWWMPLVZWOGN-UHFFFAOYSA-N 1 0 225.335 3.417 10 0 BGAERO COc1ccccc1-c1cc(C[NH3+])ccc1C ZINC000049820847 175308801 /nfs/dbraw/zinc/30/88/01/175308801.db2.gz BYTOWSZAPZPUEE-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO COc1cccc(-c2cc(C[NH3+])ccc2C)c1 ZINC000049820848 175232955 /nfs/dbraw/zinc/23/29/55/175232955.db2.gz GGARFGMCOYHKFJ-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO Cc1cc(C)c(Nc2cc(N)cc[nH+]2)c(C)c1 ZINC000049820859 177867353 /nfs/dbraw/zinc/86/73/53/177867353.db2.gz NQJIKGVVYWGBBS-UHFFFAOYSA-N 1 0 227.311 3.333 10 0 BGAERO Clc1ccc([C@H]2CCC[NH2+]C2)c(Cl)c1 ZINC000049821570 180586093 /nfs/dbraw/zinc/58/60/93/180586093.db2.gz YDIJELWTMPSTNZ-QMMMGPOBSA-N 1 0 230.138 3.460 10 0 BGAERO CC1(Cc2ccc(Cl)cc2Cl)C[NH2+]C1 ZINC000049821571 168053753 /nfs/dbraw/zinc/05/37/53/168053753.db2.gz QEUBUFQXUWCNFX-UHFFFAOYSA-N 1 0 230.138 3.145 10 0 BGAERO CC1(Cc2ccc(Cl)c(Cl)c2)C[NH2+]C1 ZINC000049821572 168052547 /nfs/dbraw/zinc/05/25/47/168052547.db2.gz GCINLKBDMBDXIW-UHFFFAOYSA-N 1 0 230.138 3.145 10 0 BGAERO Cc1ccc(C)c(C(=O)C[NH2+]C2CCCC2)c1 ZINC000049822133 188299079 /nfs/dbraw/zinc/29/90/79/188299079.db2.gz OSWMIEDYWRORLI-UHFFFAOYSA-N 1 0 231.339 3.018 10 0 BGAERO Nc1cccc(CCCC[NH2+]C2CCCC2)c1 ZINC000049822597 181741691 /nfs/dbraw/zinc/74/16/91/181741691.db2.gz BYCJAUIJEBDLAJ-UHFFFAOYSA-N 1 0 232.371 3.124 10 0 BGAERO Cc1ccc(C[NH3+])cc1-c1cc(F)cc(F)c1 ZINC000049822699 178561394 /nfs/dbraw/zinc/56/13/94/178561394.db2.gz DXQVWTBIVAMNLW-UHFFFAOYSA-N 1 0 233.261 3.399 10 0 BGAERO CC(C)C[NH2+]CC(=O)c1ccc(C(C)C)cc1 ZINC000049825665 167002227 /nfs/dbraw/zinc/00/22/27/167002227.db2.gz YWOBAUIQGLELCP-UHFFFAOYSA-N 1 0 233.355 3.238 10 0 BGAERO CC(C)Cc1ccc(C(=O)C[NH2+]C(C)C)cc1 ZINC000049825678 187270516 /nfs/dbraw/zinc/27/05/16/187270516.db2.gz RBTLPDPCCAAPRM-UHFFFAOYSA-N 1 0 233.355 3.066 10 0 BGAERO CCCc1ccc(C(=O)C[NH2+][C@H](C)CC)cc1 ZINC000049825685 188125502 /nfs/dbraw/zinc/12/55/02/188125502.db2.gz QCYKDRWAWXCDSJ-GFCCVEGCSA-N 1 0 233.355 3.210 10 0 BGAERO CC[C@@H](C)c1ccc(C(=O)C[NH2+]C(C)C)cc1 ZINC000049825693 170803460 /nfs/dbraw/zinc/80/34/60/170803460.db2.gz PPOAMPZHIOMODR-GFCCVEGCSA-N 1 0 233.355 3.381 10 0 BGAERO CC(C)[NH2+]CCC(=O)c1ccc(C(C)C)cc1 ZINC000049825807 167100181 /nfs/dbraw/zinc/10/01/81/167100181.db2.gz LOLXMOXZRBGEBR-UHFFFAOYSA-N 1 0 233.355 3.381 10 0 BGAERO CC[NH2+]CCC(=O)c1ccc(C(C)(C)C)cc1 ZINC000049825809 170111982 /nfs/dbraw/zinc/11/19/82/170111982.db2.gz CBDBMJSHNKYRKS-UHFFFAOYSA-N 1 0 233.355 3.166 10 0 BGAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc(C)c(C)c1 ZINC000049825817 171340655 /nfs/dbraw/zinc/34/06/55/171340655.db2.gz CXUCFLROKUGIKK-ZDUSSCGKSA-N 1 0 233.355 3.264 10 0 BGAERO CC[C@H](C)[NH2+]CCC(=O)c1cc(C)ccc1C ZINC000049825826 171340721 /nfs/dbraw/zinc/34/07/21/171340721.db2.gz GXYMMFCLFWMQQJ-ZDUSSCGKSA-N 1 0 233.355 3.264 10 0 BGAERO Cc1ccc(C)c(C(=O)CC[NH2+]C(C)(C)C)c1 ZINC000049825829 187270194 /nfs/dbraw/zinc/27/01/94/187270194.db2.gz DGFVBMZFCDPIOK-UHFFFAOYSA-N 1 0 233.355 3.264 10 0 BGAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc(C)cc1C ZINC000049825836 171340348 /nfs/dbraw/zinc/34/03/48/171340348.db2.gz NXAAKBKKSYQLEC-ZDUSSCGKSA-N 1 0 233.355 3.264 10 0 BGAERO Cc1ccc(C(=O)CC[NH2+]C(C)(C)C)c(C)c1 ZINC000049825838 188125583 /nfs/dbraw/zinc/12/55/83/188125583.db2.gz SHWFWNQZYNBSFI-UHFFFAOYSA-N 1 0 233.355 3.264 10 0 BGAERO Cc1cc(Cl)ccc1Nc1cc(N)cc[nH+]1 ZINC000049826031 178068753 /nfs/dbraw/zinc/06/87/53/178068753.db2.gz RUIOYZUKJMCEAM-UHFFFAOYSA-N 1 0 233.702 3.369 10 0 BGAERO C[C@@H](C[NH3+])CCNc1ccccc1C(C)(C)C ZINC000049827011 175706942 /nfs/dbraw/zinc/70/69/42/175706942.db2.gz CDQUQBZZUSNWAM-GFCCVEGCSA-N 1 0 234.387 3.381 10 0 BGAERO C[C@H](CC[NH3+])CNc1ccc(C(C)(C)C)cc1 ZINC000049827021 176627367 /nfs/dbraw/zinc/62/73/67/176627367.db2.gz MLFOAVWCIZPBJK-GFCCVEGCSA-N 1 0 234.387 3.381 10 0 BGAERO CC[C@@H](C)c1ccc([C@H](O)C[NH2+]C(C)C)cc1 ZINC000049827762 170804838 /nfs/dbraw/zinc/80/48/38/170804838.db2.gz BXIWGFQCMYRQNR-IUODEOHRSA-N 1 0 235.371 3.232 10 0 BGAERO CC[C@@H](C)c1ccc([C@@H](O)C[NH2+]C(C)C)cc1 ZINC000049827764 170805088 /nfs/dbraw/zinc/80/50/88/170805088.db2.gz BXIWGFQCMYRQNR-DOMZBBRYSA-N 1 0 235.371 3.232 10 0 BGAERO CCCC[NH2+]C[C@@H](O)c1c(C)cc(C)cc1C ZINC000049827771 168868446 /nfs/dbraw/zinc/86/84/46/168868446.db2.gz LVDSLZGWAJVAKK-CQSZACIVSA-N 1 0 235.371 3.035 10 0 BGAERO CC(C)[NH2+]CC[C@@H](O)c1ccc(C(C)C)cc1 ZINC000049827800 167108750 /nfs/dbraw/zinc/10/87/50/167108750.db2.gz JSFNNZPGDSVMBZ-OAHLLOKOSA-N 1 0 235.371 3.232 10 0 BGAERO CC(C)[NH2+]CC[C@H](O)c1ccc(C(C)C)cc1 ZINC000049827801 167108700 /nfs/dbraw/zinc/10/87/00/167108700.db2.gz JSFNNZPGDSVMBZ-HNNXBMFYSA-N 1 0 235.371 3.232 10 0 BGAERO CC[NH2+]CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000049827802 170117667 /nfs/dbraw/zinc/11/76/67/170117667.db2.gz GEBRCKIXYLIXLW-AWEZNQCLSA-N 1 0 235.371 3.017 10 0 BGAERO CC[NH2+]CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000049827803 170117609 /nfs/dbraw/zinc/11/76/09/170117609.db2.gz GEBRCKIXYLIXLW-CQSZACIVSA-N 1 0 235.371 3.017 10 0 BGAERO CC[C@@H](C)[NH2+]CC[C@H](O)c1ccc(C)c(C)c1 ZINC000049827808 170751401 /nfs/dbraw/zinc/75/14/01/170751401.db2.gz QUCGRAQZVOJEAE-HIFRSBDPSA-N 1 0 235.371 3.115 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](O)c1ccc(C)c(C)c1 ZINC000049827809 171340138 /nfs/dbraw/zinc/34/01/38/171340138.db2.gz QUCGRAQZVOJEAE-ZFWWWQNUSA-N 1 0 235.371 3.115 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1ccc(C)c(C)c1 ZINC000049827811 171340045 /nfs/dbraw/zinc/34/00/45/171340045.db2.gz QUCGRAQZVOJEAE-DZGCQCFKSA-N 1 0 235.371 3.115 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](O)c1cc(C)ccc1C ZINC000049827819 171339972 /nfs/dbraw/zinc/33/99/72/171339972.db2.gz BIXNVMJRDREZRD-ZFWWWQNUSA-N 1 0 235.371 3.115 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1cc(C)ccc1C ZINC000049827821 171340101 /nfs/dbraw/zinc/34/01/01/171340101.db2.gz BIXNVMJRDREZRD-DZGCQCFKSA-N 1 0 235.371 3.115 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](O)c1ccc(C)cc1C ZINC000049827829 171340229 /nfs/dbraw/zinc/34/02/29/171340229.db2.gz HONFPLXGRVUPFW-ZFWWWQNUSA-N 1 0 235.371 3.115 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1ccc(C)cc1C ZINC000049827831 171340524 /nfs/dbraw/zinc/34/05/24/171340524.db2.gz HONFPLXGRVUPFW-DZGCQCFKSA-N 1 0 235.371 3.115 10 0 BGAERO CCC[NH2+]CC[C@H](O)c1c(C)cc(C)cc1C ZINC000049827856 169261769 /nfs/dbraw/zinc/26/17/69/169261769.db2.gz QWWSHGBFUFGLFA-AWEZNQCLSA-N 1 0 235.371 3.035 10 0 BGAERO CCC[NH2+]CC[C@@H](O)c1c(C)cc(C)cc1C ZINC000049827857 169260455 /nfs/dbraw/zinc/26/04/55/169260455.db2.gz QWWSHGBFUFGLFA-CQSZACIVSA-N 1 0 235.371 3.035 10 0 BGAERO CO[C@H](CCC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000049827873 174856479 /nfs/dbraw/zinc/85/64/79/174856479.db2.gz NAQAMGWNIBZMNG-CQSZACIVSA-N 1 0 235.371 3.411 10 0 BGAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc(F)c(C)c1 ZINC000049828848 171340159 /nfs/dbraw/zinc/34/01/59/171340159.db2.gz UBZJAPSLWXEGIW-NSHDSACASA-N 1 0 237.318 3.095 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])o2)cc1Cl ZINC000049829087 175033346 /nfs/dbraw/zinc/03/33/46/175033346.db2.gz VRLNCRIAXGVMFR-UHFFFAOYSA-N 1 0 237.686 3.067 10 0 BGAERO CC(C)C[NH2+]CCC(=O)c1ccc(Cl)cc1 ZINC000049829989 167003235 /nfs/dbraw/zinc/00/32/35/167003235.db2.gz YODFBBSAPRNEIT-UHFFFAOYSA-N 1 0 239.746 3.158 10 0 BGAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc(Cl)cc1 ZINC000049829991 171340343 /nfs/dbraw/zinc/34/03/43/171340343.db2.gz LYECNQZKHURHAC-JTQLQIEISA-N 1 0 239.746 3.301 10 0 BGAERO CC(C)C[NH2+]CC[C@H](O)c1ccc(Cl)cc1 ZINC000049830842 167004425 /nfs/dbraw/zinc/00/44/25/167004425.db2.gz UHKMRSWMSRRQJK-ZDUSSCGKSA-N 1 0 241.762 3.009 10 0 BGAERO CC(C)C[NH2+]CC[C@@H](O)c1ccc(Cl)cc1 ZINC000049830843 167004292 /nfs/dbraw/zinc/00/42/92/167004292.db2.gz UHKMRSWMSRRQJK-CYBMUJFWSA-N 1 0 241.762 3.009 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](O)c1ccc(Cl)cc1 ZINC000049830845 171340336 /nfs/dbraw/zinc/34/03/36/171340336.db2.gz OAJMRGGBZVDIBM-GWCFXTLKSA-N 1 0 241.762 3.152 10 0 BGAERO CC[C@@H](C)[NH2+]CC[C@@H](O)c1ccc(Cl)cc1 ZINC000049830846 170751620 /nfs/dbraw/zinc/75/16/20/170751620.db2.gz OAJMRGGBZVDIBM-ZWNOBZJWSA-N 1 0 241.762 3.152 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1ccc(Cl)cc1 ZINC000049830847 171340245 /nfs/dbraw/zinc/34/02/45/171340245.db2.gz OAJMRGGBZVDIBM-GXFFZTMASA-N 1 0 241.762 3.152 10 0 BGAERO COc1ccc(Cl)cc1CC(C)(C)CC[NH3+] ZINC000049830852 175120708 /nfs/dbraw/zinc/12/07/08/175120708.db2.gz IPKUPCPOURMRFX-UHFFFAOYSA-N 1 0 241.762 3.266 10 0 BGAERO CC(C)([NH3+])CCc1cccc(Br)c1 ZINC000049830866 187270313 /nfs/dbraw/zinc/27/03/13/187270313.db2.gz VKDLTAMOMMUFGN-UHFFFAOYSA-N 1 0 242.160 3.119 10 0 BGAERO CCC[NH2+]CCC(=O)c1ccc2c(c1)CCCC2 ZINC000049833863 169257187 /nfs/dbraw/zinc/25/71/87/169257187.db2.gz BKJJDBFJMALTRB-UHFFFAOYSA-N 1 0 245.366 3.138 10 0 BGAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc2c(c1)CCC2 ZINC000049833873 171340140 /nfs/dbraw/zinc/34/01/40/171340140.db2.gz HDRPDBYYLHUYHW-LBPRGKRZSA-N 1 0 245.366 3.136 10 0 BGAERO CC(C)C[NH2+]CCC(=O)c1ccc(Cl)s1 ZINC000049834012 167003036 /nfs/dbraw/zinc/00/30/36/167003036.db2.gz BBSVBIIBGMFPRS-UHFFFAOYSA-N 1 0 245.775 3.220 10 0 BGAERO CC[C@@H](C)[NH2+]CCC(=O)c1ccc(Cl)s1 ZINC000049834014 170750828 /nfs/dbraw/zinc/75/08/28/170750828.db2.gz ICCMLBYRNRSXCM-MRVPVSSYSA-N 1 0 245.775 3.362 10 0 BGAERO CC[C@H](C)[NH2+]CCC(=O)c1ccc(Cl)s1 ZINC000049834016 171340646 /nfs/dbraw/zinc/34/06/46/171340646.db2.gz ICCMLBYRNRSXCM-QMMMGPOBSA-N 1 0 245.775 3.362 10 0 BGAERO C[C@@H](C[NH3+])CCNc1ccccc1C(F)(F)F ZINC000049834221 175707244 /nfs/dbraw/zinc/70/72/44/175707244.db2.gz XQCJYGKLTDZEQH-SECBINFHSA-N 1 0 246.276 3.102 10 0 BGAERO C[C@H](C[NH3+])CCNc1cccc(C(F)(F)F)c1 ZINC000049834224 176657607 /nfs/dbraw/zinc/65/76/07/176657607.db2.gz QJEIIGJAWMHMKN-VIFPVBQESA-N 1 0 246.276 3.102 10 0 BGAERO C[C@@H](C[NH3+])CCNc1ccc(C(F)(F)F)cc1 ZINC000049834230 175706305 /nfs/dbraw/zinc/70/63/05/175706305.db2.gz YDFYTUAKSMDZRU-SECBINFHSA-N 1 0 246.276 3.102 10 0 BGAERO CC(C)C[NH2+]CC(=O)c1ccc(C(C)(C)C)cc1 ZINC000049835739 167003507 /nfs/dbraw/zinc/00/35/07/167003507.db2.gz JAXFRTIMMVZZSV-UHFFFAOYSA-N 1 0 247.382 3.412 10 0 BGAERO CCC[NH2+]CC(=O)c1cc(C(C)(C)C)ccc1C ZINC000049835762 169256260 /nfs/dbraw/zinc/25/62/60/169256260.db2.gz NEBIURVYODXYSQ-UHFFFAOYSA-N 1 0 247.382 3.475 10 0 BGAERO CC[NH2+]CCC(=O)c1cc(C(C)(C)C)ccc1C ZINC000049835845 170112012 /nfs/dbraw/zinc/11/20/12/170112012.db2.gz YFTIBSKELQETNE-UHFFFAOYSA-N 1 0 247.382 3.475 10 0 BGAERO CCC[NH2+]CCC(=O)c1c(C)c(C)cc(C)c1C ZINC000049835852 169256539 /nfs/dbraw/zinc/25/65/39/169256539.db2.gz KKKLAGQOUHUDAK-UHFFFAOYSA-N 1 0 247.382 3.493 10 0 BGAERO CCc1ccc([C@@H](O)CC[NH2+]C2CCCC2)cc1 ZINC000049835859 171835225 /nfs/dbraw/zinc/83/52/25/171835225.db2.gz KPJMRJAXLKSDNY-INIZCTEOSA-N 1 0 247.382 3.205 10 0 BGAERO CC(C)(C)c1ccc([C@@H](O)CC[NH2+]C2CC2)cc1 ZINC000049835861 187952606 /nfs/dbraw/zinc/95/26/06/187952606.db2.gz NLXNHPKMYVLVPK-HNNXBMFYSA-N 1 0 247.382 3.160 10 0 BGAERO CC(C)CC[NH2+]C[C@H](O)c1ccc(Cl)s1 ZINC000049836027 166861953 /nfs/dbraw/zinc/86/19/53/166861953.db2.gz QWYFBQMIKYUTGF-VIFPVBQESA-N 1 0 247.791 3.071 10 0 BGAERO CC(C)CC[NH2+]C[C@@H](O)c1ccc(Cl)s1 ZINC000049836028 166860426 /nfs/dbraw/zinc/86/04/26/166860426.db2.gz QWYFBQMIKYUTGF-SECBINFHSA-N 1 0 247.791 3.071 10 0 BGAERO CC(C)C[NH2+]CC[C@H](O)c1ccc(Cl)s1 ZINC000049836035 167005062 /nfs/dbraw/zinc/00/50/62/167005062.db2.gz RCUXJXXKAXYZPE-VIFPVBQESA-N 1 0 247.791 3.071 10 0 BGAERO CC(C)C[NH2+]CC[C@@H](O)c1ccc(Cl)s1 ZINC000049836036 167005169 /nfs/dbraw/zinc/00/51/69/167005169.db2.gz RCUXJXXKAXYZPE-SECBINFHSA-N 1 0 247.791 3.071 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](O)c1ccc(Cl)s1 ZINC000049836038 171340306 /nfs/dbraw/zinc/34/03/06/171340306.db2.gz RSRXHKBWLTYDJX-IUCAKERBSA-N 1 0 247.791 3.213 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1ccc(Cl)s1 ZINC000049836040 171340652 /nfs/dbraw/zinc/34/06/52/171340652.db2.gz RSRXHKBWLTYDJX-DTWKUNHWSA-N 1 0 247.791 3.213 10 0 BGAERO CCC[NH2+]C[C@H](O)c1cc(C(C)(C)C)ccc1C ZINC000049837621 169264050 /nfs/dbraw/zinc/26/40/50/169264050.db2.gz HPIHIBVIASTWIL-HNNXBMFYSA-N 1 0 249.398 3.326 10 0 BGAERO CCC[NH2+]C[C@@H](O)c1cc(C(C)(C)C)ccc1C ZINC000049837622 169262429 /nfs/dbraw/zinc/26/24/29/169262429.db2.gz HPIHIBVIASTWIL-OAHLLOKOSA-N 1 0 249.398 3.326 10 0 BGAERO Cc1cc(C)c([C@@H](O)C[NH2+]CCC(C)C)c(C)c1 ZINC000049837626 177872343 /nfs/dbraw/zinc/87/23/43/177872343.db2.gz FUYFHSHGOBWIKR-HNNXBMFYSA-N 1 0 249.398 3.281 10 0 BGAERO CC(C)[NH2+]CC[C@H](O)c1ccc(C(C)(C)C)cc1 ZINC000049837657 167108994 /nfs/dbraw/zinc/10/89/94/167108994.db2.gz OKPFWRLOCUHTIH-HNNXBMFYSA-N 1 0 249.398 3.406 10 0 BGAERO CC(C)[NH2+]CC[C@@H](O)c1ccc(C(C)(C)C)cc1 ZINC000049837658 167108242 /nfs/dbraw/zinc/10/82/42/167108242.db2.gz OKPFWRLOCUHTIH-OAHLLOKOSA-N 1 0 249.398 3.406 10 0 BGAERO CCCc1ccc([C@@H](O)CC[NH+](CC)CC)cc1 ZINC000049837690 169574806 /nfs/dbraw/zinc/57/48/06/169574806.db2.gz XSPPJVZQSXSBQE-INIZCTEOSA-N 1 0 249.398 3.404 10 0 BGAERO CC[NH2+]CC[C@H](O)c1cc(C(C)(C)C)ccc1C ZINC000049837701 170117149 /nfs/dbraw/zinc/11/71/49/170117149.db2.gz ZSVAFHITGWWVEF-HNNXBMFYSA-N 1 0 249.398 3.326 10 0 BGAERO CC[NH2+]CC[C@@H](O)c1cc(C(C)(C)C)ccc1C ZINC000049837702 170117656 /nfs/dbraw/zinc/11/76/56/170117656.db2.gz ZSVAFHITGWWVEF-OAHLLOKOSA-N 1 0 249.398 3.326 10 0 BGAERO Cc1cc(C)c([C@@H](O)CC[NH2+]CC(C)C)c(C)c1 ZINC000049837708 177872355 /nfs/dbraw/zinc/87/23/55/177872355.db2.gz DRCNAYXODCFJPR-HNNXBMFYSA-N 1 0 249.398 3.281 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](O)c1c(C)cc(C)cc1C ZINC000049837710 171340502 /nfs/dbraw/zinc/34/05/02/171340502.db2.gz IFIGMSMDLOPCID-GJZGRUSLSA-N 1 0 249.398 3.423 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@@H](O)c1c(C)cc(C)cc1C ZINC000049837712 171340349 /nfs/dbraw/zinc/34/03/49/171340349.db2.gz IFIGMSMDLOPCID-LSDHHAIUSA-N 1 0 249.398 3.423 10 0 BGAERO CCC[NH2+]CC[C@H](O)c1c(C)c(C)cc(C)c1C ZINC000049837715 169261630 /nfs/dbraw/zinc/26/16/30/169261630.db2.gz HIMVIQXEMRRFPW-HNNXBMFYSA-N 1 0 249.398 3.343 10 0 BGAERO CCC[NH2+]CC[C@@H](O)c1c(C)c(C)cc(C)c1C ZINC000049837716 169260217 /nfs/dbraw/zinc/26/02/17/169260217.db2.gz HIMVIQXEMRRFPW-OAHLLOKOSA-N 1 0 249.398 3.343 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccccc2F)c(C)o1 ZINC000049849459 178262335 /nfs/dbraw/zinc/26/23/35/178262335.db2.gz JUKIDTTUDWKNLX-CYBMUJFWSA-N 1 0 219.259 3.084 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccccc2F)c(C)o1 ZINC000049849460 178237648 /nfs/dbraw/zinc/23/76/48/178237648.db2.gz JUKIDTTUDWKNLX-ZDUSSCGKSA-N 1 0 219.259 3.084 10 0 BGAERO Cc1cc([C@H]([NH3+])C2CCCCC2)c(C)o1 ZINC000049849462 178262321 /nfs/dbraw/zinc/26/23/21/178262321.db2.gz IDKBYMZNWAGYCF-CYBMUJFWSA-N 1 0 207.317 3.477 10 0 BGAERO Cc1cc([C@@H]([NH3+])C2CCCCC2)c(C)o1 ZINC000049849463 178236495 /nfs/dbraw/zinc/23/64/95/178236495.db2.gz IDKBYMZNWAGYCF-ZDUSSCGKSA-N 1 0 207.317 3.477 10 0 BGAERO CC(C)c1ccc2c(c1)[C@@H]([NH3+])[C@@H](C)S2 ZINC000049851576 167624958 /nfs/dbraw/zinc/62/49/58/167624958.db2.gz BIECANDYFHWHFX-PELKAZGASA-N 1 0 207.342 3.304 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)Cc1cc(Br)cs1 ZINC000049864606 176764051 /nfs/dbraw/zinc/76/40/51/176764051.db2.gz DBOOGUMNWIEILQ-BQBZGAKWSA-N 1 0 248.189 3.036 10 0 BGAERO c1ccc2c(c1)CN1CCCCCC1=[NH+]2 ZINC000049925477 384944668 /nfs/dbraw/zinc/94/46/68/384944668.db2.gz SQXQVLHHMMAJIL-UHFFFAOYSA-N 1 0 200.285 3.106 10 0 BGAERO CO[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)c(C)cc1C ZINC000049949099 174750140 /nfs/dbraw/zinc/75/01/40/174750140.db2.gz BVXMRSVILDRVGT-JKSUJKDBSA-N 1 0 247.382 3.269 10 0 BGAERO CCc1ccc(C[C@H](CC)[C@H](C)[NH2+]C)cc1 ZINC000049962016 171814898 /nfs/dbraw/zinc/81/48/98/171814898.db2.gz UXQLBVQBZPONEY-WFASDCNBSA-N 1 0 219.372 3.426 10 0 BGAERO CCc1ccc(C[C@](C)([NH3+])C(C)C)cc1 ZINC000049962312 171814941 /nfs/dbraw/zinc/81/49/41/171814941.db2.gz HEJMXNZZTDIWJB-AWEZNQCLSA-N 1 0 205.345 3.165 10 0 BGAERO CCc1ccc(N(C)c2ccc(C[NH3+])cc2)cc1 ZINC000049977465 171815612 /nfs/dbraw/zinc/81/56/12/171815612.db2.gz HHSHRZKTCQHKIG-UHFFFAOYSA-N 1 0 240.350 3.476 10 0 BGAERO CCC[NH2+]CCCN(C)c1ccc(CC)cc1 ZINC000049988475 169257038 /nfs/dbraw/zinc/25/70/38/169257038.db2.gz KXYOOQVBGQMYNV-UHFFFAOYSA-N 1 0 234.387 3.075 10 0 BGAERO Cc1ccccc1N(C)CCC[NH2+]C(C)(C)C ZINC000049988493 179294870 /nfs/dbraw/zinc/29/48/70/179294870.db2.gz ZDXUYNONLNHRCL-UHFFFAOYSA-N 1 0 234.387 3.209 10 0 BGAERO Cc1ccccc1N(C)CCCC[NH2+]C(C)C ZINC000049991065 179294084 /nfs/dbraw/zinc/29/40/84/179294084.db2.gz URBAGDVHBPXBTC-UHFFFAOYSA-N 1 0 234.387 3.209 10 0 BGAERO Cc1cc(C[NH3+])ccc1N(C)c1ccccc1F ZINC000049991897 177983468 /nfs/dbraw/zinc/98/34/68/177983468.db2.gz UNYQMNPFDYDWQE-UHFFFAOYSA-N 1 0 244.313 3.361 10 0 BGAERO CN(CCC[NH2+]C(C)(C)C)c1cccc(F)c1 ZINC000050006525 172705762 /nfs/dbraw/zinc/70/57/62/172705762.db2.gz IPWAWPAXYQLKMK-UHFFFAOYSA-N 1 0 238.350 3.040 10 0 BGAERO CCN(c1ccc(F)cc1)c1ccc(C[NH3+])cc1 ZINC000050011282 169942260 /nfs/dbraw/zinc/94/22/60/169942260.db2.gz JTVQQZDWZPMSTL-UHFFFAOYSA-N 1 0 244.313 3.442 10 0 BGAERO CCC[NH2+]CCCN(CC)c1ccc(F)cc1 ZINC000050012458 169257002 /nfs/dbraw/zinc/25/70/02/169257002.db2.gz NCBIVGHDRXIUNO-UHFFFAOYSA-N 1 0 238.350 3.042 10 0 BGAERO CCC[N@H+](CC1CCCC1)C1(CN)CCCC1 ZINC000050090517 169138055 /nfs/dbraw/zinc/13/80/55/169138055.db2.gz YJEQJYKSZRLIFA-UHFFFAOYSA-N 1 0 238.419 3.160 10 0 BGAERO CCC[N@H+](Cc1ccccc1)C1(CN)CCCC1 ZINC000050090585 169177363 /nfs/dbraw/zinc/17/73/63/169177363.db2.gz IFVJAUDXFUFJEA-UHFFFAOYSA-N 1 0 246.398 3.170 10 0 BGAERO CCC(CC)(CN)[N@H+](C)CCCc1ccccc1 ZINC000050092341 168322630 /nfs/dbraw/zinc/32/26/30/168322630.db2.gz SHPOLKUKXXYENW-UHFFFAOYSA-N 1 0 248.414 3.069 10 0 BGAERO CC[N@H+](Cc1ccccc1)[C@@H]1CCCCC1=O ZINC000050133283 344647107 /nfs/dbraw/zinc/64/71/07/344647107.db2.gz MSEHPYCSCHMESK-CQSZACIVSA-N 1 0 231.339 3.020 10 0 BGAERO CC[N@H+](Cc1ccccc1)[C@H]1CCCCC1=O ZINC000050133284 344646963 /nfs/dbraw/zinc/64/69/63/344646963.db2.gz MSEHPYCSCHMESK-AWEZNQCLSA-N 1 0 231.339 3.020 10 0 BGAERO CCCC(=O)C[N@H+](Cc1ccccc1)C(C)C ZINC000050184287 343610524 /nfs/dbraw/zinc/61/05/24/343610524.db2.gz ITQSRGJCGIMUTQ-UHFFFAOYSA-N 1 0 233.355 3.266 10 0 BGAERO Cc1ccccc1CCC[NH2+]Cc1ccco1 ZINC000050198806 179262191 /nfs/dbraw/zinc/26/21/91/179262191.db2.gz ZZCQOABJNXTKNI-UHFFFAOYSA-N 1 0 229.323 3.310 10 0 BGAERO CCOc1ccc(Cl)cc1[C@H](C)[NH2+]C ZINC000050209649 170548233 /nfs/dbraw/zinc/54/82/33/170548233.db2.gz IHJLMXPFRCITQB-QMMMGPOBSA-N 1 0 213.708 3.019 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(Oc2ccc(C)nc2)cc1 ZINC000050212177 173418780 /nfs/dbraw/zinc/41/87/80/173418780.db2.gz UHLLYBKWJUOGNE-LBPRGKRZSA-N 1 0 242.322 3.463 10 0 BGAERO Cc1ccc(CN2CCCCC2=[NH2+])s1 ZINC000050225626 344659812 /nfs/dbraw/zinc/65/98/12/344659812.db2.gz VKQRFZWUHSQAOB-UHFFFAOYSA-N 1 0 208.330 3.020 10 0 BGAERO Cc1ccc(CNc2cc[nH+]cc2)s1 ZINC000050225683 383980451 /nfs/dbraw/zinc/98/04/51/383980451.db2.gz JNXCYVMTNWJMSE-UHFFFAOYSA-N 1 0 204.298 3.064 10 0 BGAERO Cc1[nH]c2ccc(NCC3CCCC3)cc2[nH+]1 ZINC000050271876 180094660 /nfs/dbraw/zinc/09/46/60/180094660.db2.gz SQXCFDVECSROHC-UHFFFAOYSA-N 1 0 229.327 3.473 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)C1CCCC1 ZINC000050272368 176079211 /nfs/dbraw/zinc/07/92/11/176079211.db2.gz PHJIPLVDTUBPJD-SNPRPXQTSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@H]1CCCC[C@@H]1[N@H+](C)[C@@H](CN)C1CCCC1 ZINC000050272369 177080550 /nfs/dbraw/zinc/08/05/50/177080550.db2.gz PHJIPLVDTUBPJD-QEJZJMRPSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)C1CCCC1 ZINC000050272370 176086552 /nfs/dbraw/zinc/08/65/52/176086552.db2.gz PHJIPLVDTUBPJD-YUELXQCFSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@H]1CCCC[C@H]1[N@H+](C)[C@@H](CN)C1CCCC1 ZINC000050272371 177087167 /nfs/dbraw/zinc/08/71/67/177087167.db2.gz PHJIPLVDTUBPJD-CFVMTHIKSA-N 1 0 238.419 3.014 10 0 BGAERO CCc1nc([C@H]([NH3+])C2CCCC2)sc1C ZINC000050272842 172007711 /nfs/dbraw/zinc/00/77/11/172007711.db2.gz MBHPMHUQBLEBKE-LLVKDONJSA-N 1 0 224.373 3.204 10 0 BGAERO CCc1nc([C@@H]([NH3+])C2CCCC2)sc1C ZINC000050272843 172002028 /nfs/dbraw/zinc/00/20/28/172002028.db2.gz MBHPMHUQBLEBKE-NSHDSACASA-N 1 0 224.373 3.204 10 0 BGAERO Cc1cc([C@H]([NH3+])C2=CCCCC2)c(C)o1 ZINC000050325485 178260513 /nfs/dbraw/zinc/26/05/13/178260513.db2.gz YRIMRQWSKWLHQO-CYBMUJFWSA-N 1 0 205.301 3.397 10 0 BGAERO Cc1cc([C@@H]([NH3+])C2=CCCCC2)c(C)o1 ZINC000050325486 178236276 /nfs/dbraw/zinc/23/62/76/178236276.db2.gz YRIMRQWSKWLHQO-ZDUSSCGKSA-N 1 0 205.301 3.397 10 0 BGAERO COc1ccc(C[C@H]([NH3+])C2=CCCCC2)cc1 ZINC000050325580 175116910 /nfs/dbraw/zinc/11/69/10/175116910.db2.gz KXGONHSUABPDJJ-HNNXBMFYSA-N 1 0 231.339 3.065 10 0 BGAERO COc1ccc(C[C@@H]([NH3+])C2=CCCCC2)cc1 ZINC000050325581 175115872 /nfs/dbraw/zinc/11/58/72/175115872.db2.gz KXGONHSUABPDJJ-OAHLLOKOSA-N 1 0 231.339 3.065 10 0 BGAERO C[NH2+][C@H](Cc1cccc(OC)c1)C1=CCCCC1 ZINC000050326353 173454300 /nfs/dbraw/zinc/45/43/00/173454300.db2.gz LKINOCKRQHJQMQ-MRXNPFEDSA-N 1 0 245.366 3.326 10 0 BGAERO [NH3+][C@@H](c1ccc(Br)o1)C1=CCCC1 ZINC000050326899 181610037 /nfs/dbraw/zinc/61/00/37/181610037.db2.gz NYSAMTWXJNOROG-SNVBAGLBSA-N 1 0 242.116 3.152 10 0 BGAERO [NH3+][C@H](c1ccc(Br)o1)C1=CCCC1 ZINC000050326900 383999471 /nfs/dbraw/zinc/99/94/71/383999471.db2.gz NYSAMTWXJNOROG-JTQLQIEISA-N 1 0 242.116 3.152 10 0 BGAERO [NH3+][C@H](C1=CCCC1)c1ccccc1Cl ZINC000050327021 344673606 /nfs/dbraw/zinc/67/36/06/344673606.db2.gz AFZSXAQPXYIBRT-GFCCVEGCSA-N 1 0 207.704 3.450 10 0 BGAERO [NH3+][C@@H](C1=CCCC1)c1ccccc1Cl ZINC000050327022 344673551 /nfs/dbraw/zinc/67/35/51/344673551.db2.gz AFZSXAQPXYIBRT-LBPRGKRZSA-N 1 0 207.704 3.450 10 0 BGAERO [NH3+][C@H](C1=CCCC1)c1cccc(Cl)c1 ZINC000050327111 344673594 /nfs/dbraw/zinc/67/35/94/344673594.db2.gz FULWLVVASKWYIP-GFCCVEGCSA-N 1 0 207.704 3.450 10 0 BGAERO [NH3+][C@@H](C1=CCCC1)c1cccc(Cl)c1 ZINC000050327112 344673444 /nfs/dbraw/zinc/67/34/44/344673444.db2.gz FULWLVVASKWYIP-LBPRGKRZSA-N 1 0 207.704 3.450 10 0 BGAERO C[NH2+][C@@H](c1ccc(C)s1)C1=CCCC1 ZINC000050327239 344673522 /nfs/dbraw/zinc/67/35/22/344673522.db2.gz HLZMYISURNDWIJ-GFCCVEGCSA-N 1 0 207.342 3.427 10 0 BGAERO C[NH2+][C@H](c1ccc(C)s1)C1=CCCC1 ZINC000050327240 344673649 /nfs/dbraw/zinc/67/36/49/344673649.db2.gz HLZMYISURNDWIJ-LBPRGKRZSA-N 1 0 207.342 3.427 10 0 BGAERO C[NH2+][C@H](C1=CCCC1)c1sccc1C ZINC000050327241 344673647 /nfs/dbraw/zinc/67/36/47/344673647.db2.gz YMKPAPHSUQNEAR-LLVKDONJSA-N 1 0 207.342 3.427 10 0 BGAERO C[NH2+][C@@H](C1=CCCC1)c1sccc1C ZINC000050327242 344673489 /nfs/dbraw/zinc/67/34/89/344673489.db2.gz YMKPAPHSUQNEAR-NSHDSACASA-N 1 0 207.342 3.427 10 0 BGAERO CC[NH2+][C@@H](Cc1ccc(OC)cc1)C1=CCCC1 ZINC000050327619 170146486 /nfs/dbraw/zinc/14/64/86/170146486.db2.gz PYOMPSLPYFECGK-INIZCTEOSA-N 1 0 245.366 3.326 10 0 BGAERO CC[NH2+][C@H](Cc1ccc(OC)cc1)C1=CCCC1 ZINC000050327620 170162170 /nfs/dbraw/zinc/16/21/70/170162170.db2.gz PYOMPSLPYFECGK-MRXNPFEDSA-N 1 0 245.366 3.326 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccc1OC)C1=CCCC1 ZINC000050327703 170146298 /nfs/dbraw/zinc/14/62/98/170146298.db2.gz CNFXCPIBAKBIIJ-HNNXBMFYSA-N 1 0 245.366 3.326 10 0 BGAERO CC[NH2+][C@H](Cc1ccccc1OC)C1=CCCC1 ZINC000050327704 170163621 /nfs/dbraw/zinc/16/36/21/170163621.db2.gz CNFXCPIBAKBIIJ-OAHLLOKOSA-N 1 0 245.366 3.326 10 0 BGAERO CC[NH2+][C@H](C1=CCCC1)c1cccc(OC)c1 ZINC000050327795 170160989 /nfs/dbraw/zinc/16/09/89/170160989.db2.gz PVHCXFHYZRCLOE-OAHLLOKOSA-N 1 0 231.339 3.456 10 0 BGAERO CC[NH2+][C@@H](C1=CCCC1)c1cccc(OC)c1 ZINC000050327796 170142592 /nfs/dbraw/zinc/14/25/92/170142592.db2.gz PVHCXFHYZRCLOE-HNNXBMFYSA-N 1 0 231.339 3.456 10 0 BGAERO CC[NH2+][C@H](C1=CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000050327840 170161217 /nfs/dbraw/zinc/16/12/17/170161217.db2.gz AUOQZIOUWRTXGP-JKSUJKDBSA-N 1 0 243.350 3.079 10 0 BGAERO CC[NH2+][C@@H](C1=CCCC1)[C@@H]1Cc2ccccc2O1 ZINC000050327841 170143241 /nfs/dbraw/zinc/14/32/41/170143241.db2.gz AUOQZIOUWRTXGP-HOTGVXAUSA-N 1 0 243.350 3.079 10 0 BGAERO CC[NH2+][C@H](C1=CCCC1)[C@H]1Cc2ccccc2O1 ZINC000050327842 170161241 /nfs/dbraw/zinc/16/12/41/170161241.db2.gz AUOQZIOUWRTXGP-HZPDHXFCSA-N 1 0 243.350 3.079 10 0 BGAERO CC[NH2+][C@@H](C1=CCCC1)[C@H]1Cc2ccccc2O1 ZINC000050327843 170142855 /nfs/dbraw/zinc/14/28/55/170142855.db2.gz AUOQZIOUWRTXGP-CVEARBPZSA-N 1 0 243.350 3.079 10 0 BGAERO CC[NH2+][C@@H]1CCCc2nc(C(C)C)sc21 ZINC000050330122 170151692 /nfs/dbraw/zinc/15/16/92/170151692.db2.gz BLSDYJRRPNYXDR-SECBINFHSA-N 1 0 224.373 3.253 10 0 BGAERO CC[NH2+][C@H]1CCCc2nc(C(C)C)sc21 ZINC000050330123 170166536 /nfs/dbraw/zinc/16/65/36/170166536.db2.gz BLSDYJRRPNYXDR-VIFPVBQESA-N 1 0 224.373 3.253 10 0 BGAERO CC(C)Cc1nc2c(s1)[C@@H]([NH3+])CC(C)(C)C2 ZINC000050331066 188125972 /nfs/dbraw/zinc/12/59/72/188125972.db2.gz HEZHKDNOIJLEDF-VIFPVBQESA-N 1 0 238.400 3.314 10 0 BGAERO CCCc1nc2c(s1)[C@@H]([NH2+]C)CC(C)(C)C2 ZINC000050331282 169594018 /nfs/dbraw/zinc/59/40/18/169594018.db2.gz IZCSGOZLIOCOAL-VIFPVBQESA-N 1 0 238.400 3.329 10 0 BGAERO CC[NH2+][C@@H]1CC(C)(C)Cc2nc(C)sc21 ZINC000050331375 170149447 /nfs/dbraw/zinc/14/94/47/170149447.db2.gz JELJYPGVCFJCIO-SECBINFHSA-N 1 0 224.373 3.075 10 0 BGAERO CC[NH2+][C@H]1CC(C)(C)Cc2nc(C)sc21 ZINC000050331376 170165827 /nfs/dbraw/zinc/16/58/27/170165827.db2.gz JELJYPGVCFJCIO-VIFPVBQESA-N 1 0 224.373 3.075 10 0 BGAERO CC[NH2+][C@@H]1CC(C)(C)Cc2nc(CC)sc21 ZINC000050331401 170149968 /nfs/dbraw/zinc/14/99/68/170149968.db2.gz JHYLBKUPGCXMFB-SECBINFHSA-N 1 0 238.400 3.329 10 0 BGAERO CC[NH2+][C@H]1CC(C)(C)Cc2nc(CC)sc21 ZINC000050331402 170165671 /nfs/dbraw/zinc/16/56/71/170165671.db2.gz JHYLBKUPGCXMFB-VIFPVBQESA-N 1 0 238.400 3.329 10 0 BGAERO CCC[NH2+][C@@H]1CC(C)(C)Cc2nc(C)sc21 ZINC000050331447 169281988 /nfs/dbraw/zinc/28/19/88/169281988.db2.gz GQZKOOISSJKWPA-SNVBAGLBSA-N 1 0 238.400 3.465 10 0 BGAERO CCC[NH2+][C@H]1CC(C)(C)Cc2nc(C)sc21 ZINC000050331448 169290970 /nfs/dbraw/zinc/29/09/70/169290970.db2.gz GQZKOOISSJKWPA-JTQLQIEISA-N 1 0 238.400 3.465 10 0 BGAERO CCC[NH2+][C@@H]1CC(C)(C)Cc2ncsc21 ZINC000050331457 169282252 /nfs/dbraw/zinc/28/22/52/169282252.db2.gz IKLPNHCLASEQML-SECBINFHSA-N 1 0 224.373 3.156 10 0 BGAERO CCC[NH2+][C@H]1CC(C)(C)Cc2ncsc21 ZINC000050331458 169290767 /nfs/dbraw/zinc/29/07/67/169290767.db2.gz IKLPNHCLASEQML-VIFPVBQESA-N 1 0 224.373 3.156 10 0 BGAERO CC(C)([NH3+])c1nc(-c2ccsc2)cs1 ZINC000050338109 344674412 /nfs/dbraw/zinc/67/44/12/344674412.db2.gz VVQROUUAXHQEOL-UHFFFAOYSA-N 1 0 224.354 3.065 10 0 BGAERO CC[C@](C)([NH3+])c1nc(-c2ccsc2)cs1 ZINC000050338117 171696348 /nfs/dbraw/zinc/69/63/48/171696348.db2.gz MDCGUBPGUGNELN-NSHDSACASA-N 1 0 238.381 3.456 10 0 BGAERO CC[C@@](C)([NH3+])c1nc(-c2ccsc2)cs1 ZINC000050338120 171173014 /nfs/dbraw/zinc/17/30/14/171173014.db2.gz MDCGUBPGUGNELN-LLVKDONJSA-N 1 0 238.381 3.456 10 0 BGAERO c1cc(-c2c[nH]c(C[NH2+]C3CCCC3)n2)cs1 ZINC000050340411 183329851 /nfs/dbraw/zinc/32/98/51/183329851.db2.gz IRPHHDUQYHKGKP-UHFFFAOYSA-N 1 0 247.367 3.170 10 0 BGAERO CCC(CC)(CN)[NH+]1CCC(C(C)(C)C)CC1 ZINC000050346203 168323047 /nfs/dbraw/zinc/32/30/47/168323047.db2.gz JIXIKYZVDQDIJF-UHFFFAOYSA-N 1 0 240.435 3.262 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000050346707 170140003 /nfs/dbraw/zinc/14/00/03/170140003.db2.gz XISHCEACRWEADQ-QWHCGFSZSA-N 1 0 240.435 3.131 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000050346710 170158240 /nfs/dbraw/zinc/15/82/40/170158240.db2.gz XISHCEACRWEADQ-CHWSQXEVSA-N 1 0 240.435 3.131 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000050346713 170140734 /nfs/dbraw/zinc/14/07/34/170140734.db2.gz XISHCEACRWEADQ-STQMWFEESA-N 1 0 240.435 3.131 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000050346715 170158747 /nfs/dbraw/zinc/15/87/47/170158747.db2.gz XISHCEACRWEADQ-OLZOCXBDSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)(C)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000050347765 322850792 /nfs/dbraw/zinc/85/07/92/322850792.db2.gz LKDAXEOGEAUAIH-KGLIPLIRSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)(C)C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000050347767 322851158 /nfs/dbraw/zinc/85/11/58/322851158.db2.gz LKDAXEOGEAUAIH-KBPBESRZSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)(C)C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000050347771 322851161 /nfs/dbraw/zinc/85/11/61/322851161.db2.gz LKDAXEOGEAUAIH-UONOGXRCSA-N 1 0 239.403 3.048 10 0 BGAERO CCCC[C@H]([NH3+])CN1CCC(C(C)(C)C)CC1 ZINC000050348952 169009380 /nfs/dbraw/zinc/00/93/80/169009380.db2.gz LOMXWVYYETYJKV-AWEZNQCLSA-N 1 0 240.435 3.262 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]2OC)cc1 ZINC000050368511 643691512 /nfs/dbraw/zinc/69/15/12/643691512.db2.gz YAPZWKBIYTUFHD-MAZHCROVSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2OC)cc1 ZINC000050368514 643690492 /nfs/dbraw/zinc/69/04/92/643690492.db2.gz YAPZWKBIYTUFHD-RCBQFDQVSA-N 1 0 247.382 3.467 10 0 BGAERO CCC1CCC([NH2+][C@@H]2CCC[C@@H]2OC)CC1 ZINC000050368911 643690734 /nfs/dbraw/zinc/69/07/34/643690734.db2.gz KOKNZFCMEGHBBP-PQAZSJQKSA-N 1 0 225.376 3.112 10 0 BGAERO CCC1CCC([NH2+][C@H]2CCC[C@@H]2OC)CC1 ZINC000050368914 643691124 /nfs/dbraw/zinc/69/11/24/643691124.db2.gz KOKNZFCMEGHBBP-HOAMVYINSA-N 1 0 225.376 3.112 10 0 BGAERO CCC1CCC([NH2+][C@H]2CCC[C@H]2OC)CC1 ZINC000050368917 643691417 /nfs/dbraw/zinc/69/14/17/643691417.db2.gz KOKNZFCMEGHBBP-CLRIEMFWSA-N 1 0 225.376 3.112 10 0 BGAERO CO[C@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000050370154 174882303 /nfs/dbraw/zinc/88/23/03/174882303.db2.gz PMFWVEGANHOXDV-PMPSAXMXSA-N 1 0 245.366 3.221 10 0 BGAERO CO[C@H]1CCC[C@H]1[NH2+]CC[C@@H](C)c1ccccc1 ZINC000050372265 174883556 /nfs/dbraw/zinc/88/35/56/174883556.db2.gz OXMXQJUBXNYJET-BMFZPTHFSA-N 1 0 247.382 3.337 10 0 BGAERO CCC[C@@H](CC)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000050399746 169379209 /nfs/dbraw/zinc/37/92/09/169379209.db2.gz BYZBDIXRVYIJBX-GFCCVEGCSA-N 1 0 235.327 3.084 10 0 BGAERO CC[C@H](C)COc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000050423470 171290908 /nfs/dbraw/zinc/29/09/08/171290908.db2.gz WWVCEWZBCZRISN-QWHCGFSZSA-N 1 0 235.371 3.391 10 0 BGAERO CC[C@H](C)COc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000050423474 171291011 /nfs/dbraw/zinc/29/10/11/171291011.db2.gz WWVCEWZBCZRISN-STQMWFEESA-N 1 0 235.371 3.391 10 0 BGAERO CC[C@H](C)COc1ccc([C@H](C)[NH3+])cc1OC ZINC000050423488 171291229 /nfs/dbraw/zinc/29/12/29/171291229.db2.gz DMEHRNWXIYBGNX-QWRGUYRKSA-N 1 0 237.343 3.140 10 0 BGAERO CC[C@H](C)COc1c(C)cc(C[NH2+]C)cc1C ZINC000050423564 171290894 /nfs/dbraw/zinc/29/08/94/171290894.db2.gz FDDWDQYKZJBGFU-NSHDSACASA-N 1 0 235.371 3.448 10 0 BGAERO CC[C@H](C)CN(CCC[NH3+])c1cccc(C)c1 ZINC000050424122 171279527 /nfs/dbraw/zinc/27/95/27/171279527.db2.gz DLEDZQNXFPPBOJ-ZDUSSCGKSA-N 1 0 234.387 3.196 10 0 BGAERO CC[C@H](C)C[N@H+](CC)C1(CN)CCC(C)CC1 ZINC000050424270 171278247 /nfs/dbraw/zinc/27/82/47/171278247.db2.gz ASROZVNMVOFMRB-NFOMZHRRSA-N 1 0 240.435 3.262 10 0 BGAERO CC[C@H](C)COc1c(C)cc(CC[NH3+])cc1C ZINC000050427319 171291017 /nfs/dbraw/zinc/29/10/17/171291017.db2.gz JIRFPCIILIJURN-NSHDSACASA-N 1 0 235.371 3.230 10 0 BGAERO CC[C@@H]([NH3+])Cc1cccc(OC[C@@H](C)CC)c1 ZINC000050427494 171291126 /nfs/dbraw/zinc/29/11/26/171291126.db2.gz NQLXEZRMMGFJPB-GXTWGEPZSA-N 1 0 235.371 3.391 10 0 BGAERO CC[C@H](C)COc1cccc(C[C@@H]([NH3+])CC)c1 ZINC000050427498 171291407 /nfs/dbraw/zinc/29/14/07/171291407.db2.gz NQLXEZRMMGFJPB-JSGCOSHPSA-N 1 0 235.371 3.391 10 0 BGAERO CC[NH2+]Cc1cc(-c2c(C)cc(C)cc2C)n[nH]1 ZINC000050479049 170124780 /nfs/dbraw/zinc/12/47/80/170124780.db2.gz RWTRSFPVEUQNLN-UHFFFAOYSA-N 1 0 243.354 3.111 10 0 BGAERO CCC[NH2+]Cc1cc(-c2ccc(Cl)cc2)n[nH]1 ZINC000050479087 169265884 /nfs/dbraw/zinc/26/58/84/169265884.db2.gz ZAICYHHWFCLGJH-UHFFFAOYSA-N 1 0 249.745 3.230 10 0 BGAERO CCC[NH2+]Cc1cc(-c2ccc(C)c(C)c2)n[nH]1 ZINC000050479113 169265282 /nfs/dbraw/zinc/26/52/82/169265282.db2.gz WGZQTZKUTCENQK-UHFFFAOYSA-N 1 0 243.354 3.193 10 0 BGAERO CC(C)[NH2+]Cc1cc(-c2ccccc2Cl)n[nH]1 ZINC000050479168 167117174 /nfs/dbraw/zinc/11/71/74/167117174.db2.gz DKDNEMXWVLNTSG-UHFFFAOYSA-N 1 0 249.745 3.228 10 0 BGAERO Cc1ccc(-c2cc(C[NH2+]C(C)C)[nH]n2)c(C)c1 ZINC000050479211 178320474 /nfs/dbraw/zinc/32/04/74/178320474.db2.gz VZWWWKFWTVRJKY-UHFFFAOYSA-N 1 0 243.354 3.192 10 0 BGAERO CC(C)(C)[NH2+]Cc1cc(-c2cccs2)n[nH]1 ZINC000050479455 166636098 /nfs/dbraw/zinc/63/60/98/166636098.db2.gz TWGZZJZPIFPKSS-UHFFFAOYSA-N 1 0 235.356 3.026 10 0 BGAERO CCOC1(C[NH2+]C)CCC(C(C)(C)C)CC1 ZINC000050482271 641158705 /nfs/dbraw/zinc/15/87/05/641158705.db2.gz FMGORDYIYYKNEI-UHFFFAOYSA-N 1 0 227.392 3.217 10 0 BGAERO CCCOC1(C[NH3+])CCC(CCC)CC1 ZINC000050482722 641158608 /nfs/dbraw/zinc/15/86/08/641158608.db2.gz KRWBYZKORPXWGW-UHFFFAOYSA-N 1 0 213.365 3.101 10 0 BGAERO CCCOC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000050482725 641158568 /nfs/dbraw/zinc/15/85/68/641158568.db2.gz QDLSSZYDSMCNQJ-UHFFFAOYSA-N 1 0 227.392 3.347 10 0 BGAERO CCC[NH2+]C[C@H](OCCC)c1ccccc1C ZINC000050482798 169264450 /nfs/dbraw/zinc/26/44/50/169264450.db2.gz YSOBAQWTYFVXMI-HNNXBMFYSA-N 1 0 235.371 3.462 10 0 BGAERO CCC[NH2+]C[C@@H](OCCC)c1ccccc1C ZINC000050482800 169262760 /nfs/dbraw/zinc/26/27/60/169262760.db2.gz YSOBAQWTYFVXMI-OAHLLOKOSA-N 1 0 235.371 3.462 10 0 BGAERO CCC[NH2+]C[C@H](OCCC)c1cccc(C)c1 ZINC000050482817 169264974 /nfs/dbraw/zinc/26/49/74/169264974.db2.gz BNSNOEMKHOWBTQ-HNNXBMFYSA-N 1 0 235.371 3.462 10 0 BGAERO CCC[NH2+]C[C@@H](OCCC)c1cccc(C)c1 ZINC000050482818 169262308 /nfs/dbraw/zinc/26/23/08/169262308.db2.gz BNSNOEMKHOWBTQ-OAHLLOKOSA-N 1 0 235.371 3.462 10 0 BGAERO CCC[NH2+]C[C@@H](OCCC)c1cccc(F)c1 ZINC000050482836 169262976 /nfs/dbraw/zinc/26/29/76/169262976.db2.gz DTJKXPSUKCCDRC-CQSZACIVSA-N 1 0 239.334 3.293 10 0 BGAERO CCC[NH2+]C[C@H](OCCC)c1ccc(F)cc1 ZINC000050482881 169264945 /nfs/dbraw/zinc/26/49/45/169264945.db2.gz RBENMCJCOXHCTL-AWEZNQCLSA-N 1 0 239.334 3.293 10 0 BGAERO CCC[NH2+]C[C@@H](OCCC)c1ccc(F)cc1 ZINC000050482882 169262105 /nfs/dbraw/zinc/26/21/05/169262105.db2.gz RBENMCJCOXHCTL-CQSZACIVSA-N 1 0 239.334 3.293 10 0 BGAERO CCC[NH2+]C[C@H](OCCC)c1ccccc1F ZINC000050482918 169264389 /nfs/dbraw/zinc/26/43/89/169264389.db2.gz QXVOIYHHHOFUGR-AWEZNQCLSA-N 1 0 239.334 3.293 10 0 BGAERO CCC[NH2+]C[C@@H](OCCC)c1ccccc1F ZINC000050482920 169262079 /nfs/dbraw/zinc/26/20/79/169262079.db2.gz QXVOIYHHHOFUGR-CQSZACIVSA-N 1 0 239.334 3.293 10 0 BGAERO CCCOC1(C[NH2+]C)CCC(CCC)CC1 ZINC000050482987 641159592 /nfs/dbraw/zinc/15/95/92/641159592.db2.gz RXZWHVMVVRJOJC-UHFFFAOYSA-N 1 0 227.392 3.362 10 0 BGAERO CCCOC1(C[NH2+]C)CCC(C(C)C)CC1 ZINC000050482991 641158986 /nfs/dbraw/zinc/15/89/86/641158986.db2.gz NULRRFCIMUZXRH-UHFFFAOYSA-N 1 0 227.392 3.217 10 0 BGAERO CC(C)OC1(C[NH3+])CCC(C(C)(C)C)CC1 ZINC000050483461 167173581 /nfs/dbraw/zinc/17/35/81/167173581.db2.gz WBZJJFBTQBMYNN-UHFFFAOYSA-N 1 0 227.392 3.345 10 0 BGAERO CCC[NH2+]C[C@H](OC(C)C)c1ccccc1C ZINC000050483528 169264564 /nfs/dbraw/zinc/26/45/64/169264564.db2.gz MNALSMGVXYUCCD-HNNXBMFYSA-N 1 0 235.371 3.461 10 0 BGAERO CCC[NH2+]C[C@@H](OC(C)C)c1ccccc1C ZINC000050483530 169262490 /nfs/dbraw/zinc/26/24/90/169262490.db2.gz MNALSMGVXYUCCD-OAHLLOKOSA-N 1 0 235.371 3.461 10 0 BGAERO CCC[NH2+]C[C@H](OC(C)C)c1cccc(C)c1 ZINC000050483547 169264842 /nfs/dbraw/zinc/26/48/42/169264842.db2.gz QQDSOKADZBYQDP-HNNXBMFYSA-N 1 0 235.371 3.461 10 0 BGAERO CCC[NH2+]C[C@@H](OC(C)C)c1cccc(C)c1 ZINC000050483549 169262435 /nfs/dbraw/zinc/26/24/35/169262435.db2.gz QQDSOKADZBYQDP-OAHLLOKOSA-N 1 0 235.371 3.461 10 0 BGAERO CCC[NH2+]C[C@H](OC(C)C)c1cccc(F)c1 ZINC000050483566 169264427 /nfs/dbraw/zinc/26/44/27/169264427.db2.gz SBWAYVDFHUMNKF-AWEZNQCLSA-N 1 0 239.334 3.291 10 0 BGAERO CCC[NH2+]C[C@@H](OC(C)C)c1cccc(F)c1 ZINC000050483568 169262932 /nfs/dbraw/zinc/26/29/32/169262932.db2.gz SBWAYVDFHUMNKF-CQSZACIVSA-N 1 0 239.334 3.291 10 0 BGAERO CCC[NH2+]C[C@H](OC(C)C)c1ccc(F)cc1 ZINC000050483618 169264387 /nfs/dbraw/zinc/26/43/87/169264387.db2.gz SWUHQSQYMTXMOF-AWEZNQCLSA-N 1 0 239.334 3.291 10 0 BGAERO CCC[NH2+]C[C@@H](OC(C)C)c1ccc(F)cc1 ZINC000050483620 169262488 /nfs/dbraw/zinc/26/24/88/169262488.db2.gz SWUHQSQYMTXMOF-CQSZACIVSA-N 1 0 239.334 3.291 10 0 BGAERO CCC[NH2+]C[C@H](OC(C)C)c1ccccc1F ZINC000050483659 169264905 /nfs/dbraw/zinc/26/49/05/169264905.db2.gz NLYQHRGRFOUOGL-AWEZNQCLSA-N 1 0 239.334 3.291 10 0 BGAERO CCC[NH2+]C[C@@H](OC(C)C)c1ccccc1F ZINC000050483661 169262220 /nfs/dbraw/zinc/26/22/20/169262220.db2.gz NLYQHRGRFOUOGL-CQSZACIVSA-N 1 0 239.334 3.291 10 0 BGAERO CC[C@@H](C)O[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000050484388 170766230 /nfs/dbraw/zinc/76/62/30/170766230.db2.gz GJRUAUPATJDNMH-DOMZBBRYSA-N 1 0 233.355 3.295 10 0 BGAERO CC[C@H](C)O[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000050484389 171355678 /nfs/dbraw/zinc/35/56/78/171355678.db2.gz GJRUAUPATJDNMH-WFASDCNBSA-N 1 0 233.355 3.295 10 0 BGAERO CC[C@@H](C)O[C@H](C[NH2+]C1CC1)c1ccccc1 ZINC000050484392 170766201 /nfs/dbraw/zinc/76/62/01/170766201.db2.gz GJRUAUPATJDNMH-IUODEOHRSA-N 1 0 233.355 3.295 10 0 BGAERO CC[NH2+]C[C@H](O[C@H](C)CC)c1ccccc1C ZINC000050484507 170123090 /nfs/dbraw/zinc/12/30/90/170123090.db2.gz OHMXMTFRWUBWRV-HIFRSBDPSA-N 1 0 235.371 3.461 10 0 BGAERO CC[NH2+]C[C@H](O[C@@H](C)CC)c1ccccc1C ZINC000050484509 170122483 /nfs/dbraw/zinc/12/24/83/170122483.db2.gz OHMXMTFRWUBWRV-ZFWWWQNUSA-N 1 0 235.371 3.461 10 0 BGAERO CC[NH2+]C[C@@H](O[C@H](C)CC)c1ccccc1C ZINC000050484511 170119838 /nfs/dbraw/zinc/11/98/38/170119838.db2.gz OHMXMTFRWUBWRV-UKRRQHHQSA-N 1 0 235.371 3.461 10 0 BGAERO CC[NH2+]C[C@@H](O[C@@H](C)CC)c1ccccc1C ZINC000050484512 170120320 /nfs/dbraw/zinc/12/03/20/170120320.db2.gz OHMXMTFRWUBWRV-DZGCQCFKSA-N 1 0 235.371 3.461 10 0 BGAERO CC[NH2+]C[C@H](O[C@H](C)CC)c1ccc(F)cc1 ZINC000050484693 170122791 /nfs/dbraw/zinc/12/27/91/170122791.db2.gz ODJLOWPQKCUBHX-RISCZKNCSA-N 1 0 239.334 3.291 10 0 BGAERO CC[NH2+]C[C@H](O[C@@H](C)CC)c1ccc(F)cc1 ZINC000050484695 170122864 /nfs/dbraw/zinc/12/28/64/170122864.db2.gz ODJLOWPQKCUBHX-FZMZJTMJSA-N 1 0 239.334 3.291 10 0 BGAERO CC[NH2+]C[C@@H](O[C@H](C)CC)c1ccc(F)cc1 ZINC000050484697 170120374 /nfs/dbraw/zinc/12/03/74/170120374.db2.gz ODJLOWPQKCUBHX-BXUZGUMPSA-N 1 0 239.334 3.291 10 0 BGAERO CC[NH2+]C[C@@H](O[C@@H](C)CC)c1ccc(F)cc1 ZINC000050484699 170119882 /nfs/dbraw/zinc/11/98/82/170119882.db2.gz ODJLOWPQKCUBHX-SMDDNHRTSA-N 1 0 239.334 3.291 10 0 BGAERO Cc1ccc([C@H](C[NH2+]C(C)C)OCC2CC2)cc1 ZINC000050485020 178905204 /nfs/dbraw/zinc/90/52/04/178905204.db2.gz QSGFUNVYVLPDBN-INIZCTEOSA-N 1 0 247.382 3.461 10 0 BGAERO CC[NH2+]C[C@H](OCC1CC1)c1ccccc1C ZINC000050485277 170122931 /nfs/dbraw/zinc/12/29/31/170122931.db2.gz NLEURFIOUFECDD-HNNXBMFYSA-N 1 0 233.355 3.072 10 0 BGAERO CC[NH2+]C[C@@H](OCC1CC1)c1ccccc1C ZINC000050485279 170120285 /nfs/dbraw/zinc/12/02/85/170120285.db2.gz NLEURFIOUFECDD-OAHLLOKOSA-N 1 0 233.355 3.072 10 0 BGAERO C[NH2+]C[C@H](OC1CCCC1)c1ccccc1F ZINC000050487853 173377839 /nfs/dbraw/zinc/37/78/39/173377839.db2.gz ACGWBXNCNPLZGN-AWEZNQCLSA-N 1 0 237.318 3.045 10 0 BGAERO C[NH2+]C[C@@H](OC1CCCC1)c1ccccc1F ZINC000050487857 173366810 /nfs/dbraw/zinc/36/68/10/173366810.db2.gz ACGWBXNCNPLZGN-CQSZACIVSA-N 1 0 237.318 3.045 10 0 BGAERO CC1CCC(C[NH3+])(OCc2ccccc2)CC1 ZINC000050488110 344699965 /nfs/dbraw/zinc/69/99/65/344699965.db2.gz MOFIQPIFLSWFBX-UHFFFAOYSA-N 1 0 233.355 3.111 10 0 BGAERO CCC[NH2+]C[C@H](OCC(C)C)c1ccccc1 ZINC000050492003 169264500 /nfs/dbraw/zinc/26/45/00/169264500.db2.gz XMIPPEMGICLCCP-HNNXBMFYSA-N 1 0 235.371 3.400 10 0 BGAERO CCC[NH2+]C[C@@H](OCC(C)C)c1ccccc1 ZINC000050492006 169262152 /nfs/dbraw/zinc/26/21/52/169262152.db2.gz XMIPPEMGICLCCP-OAHLLOKOSA-N 1 0 235.371 3.400 10 0 BGAERO CC[NH2+]C[C@H](OCC(C)C)c1ccc(C)cc1 ZINC000050492030 170122438 /nfs/dbraw/zinc/12/24/38/170122438.db2.gz XOPXKSINJXZXST-HNNXBMFYSA-N 1 0 235.371 3.318 10 0 BGAERO CC[NH2+]C[C@@H](OCC(C)C)c1ccc(C)cc1 ZINC000050492033 170119622 /nfs/dbraw/zinc/11/96/22/170119622.db2.gz XOPXKSINJXZXST-OAHLLOKOSA-N 1 0 235.371 3.318 10 0 BGAERO CC[NH2+]C[C@H](OCC(C)C)c1cccc(F)c1 ZINC000050492171 170122457 /nfs/dbraw/zinc/12/24/57/170122457.db2.gz AYEUUDRCPNVJSJ-AWEZNQCLSA-N 1 0 239.334 3.149 10 0 BGAERO CC[NH2+]C[C@@H](OCC(C)C)c1cccc(F)c1 ZINC000050492173 170120064 /nfs/dbraw/zinc/12/00/64/170120064.db2.gz AYEUUDRCPNVJSJ-CQSZACIVSA-N 1 0 239.334 3.149 10 0 BGAERO CC[NH2+]C[C@H](OCC(C)C)c1ccccc1F ZINC000050492308 170122549 /nfs/dbraw/zinc/12/25/49/170122549.db2.gz XGAYRXLPGSHPCW-AWEZNQCLSA-N 1 0 239.334 3.149 10 0 BGAERO CC[NH2+]C[C@@H](OCC(C)C)c1ccccc1F ZINC000050492311 170120290 /nfs/dbraw/zinc/12/02/90/170120290.db2.gz XGAYRXLPGSHPCW-CQSZACIVSA-N 1 0 239.334 3.149 10 0 BGAERO [NH3+]CC1(OCc2ccccc2Cl)CCCC1 ZINC000050492479 181361665 /nfs/dbraw/zinc/36/16/65/181361665.db2.gz YXYRDTVWAVVDCE-UHFFFAOYSA-N 1 0 239.746 3.128 10 0 BGAERO C[C@H](OC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000050492734 177020412 /nfs/dbraw/zinc/02/04/12/177020412.db2.gz AYRGIZVBZCKFPV-ZDUSSCGKSA-N 1 0 233.355 3.426 10 0 BGAERO C[C@@H](OC1(C[NH3+])CCCCC1)c1ccccc1 ZINC000050492737 176002608 /nfs/dbraw/zinc/00/26/08/176002608.db2.gz AYRGIZVBZCKFPV-CYBMUJFWSA-N 1 0 233.355 3.426 10 0 BGAERO C[C@H](OC1(C[NH3+])CCCC1)c1ccccc1 ZINC000050492740 177020724 /nfs/dbraw/zinc/02/07/24/177020724.db2.gz BRAVBHLRVNBHKG-LBPRGKRZSA-N 1 0 219.328 3.036 10 0 BGAERO C[C@@H](OC1(C[NH3+])CCCC1)c1ccccc1 ZINC000050492744 176002074 /nfs/dbraw/zinc/00/20/74/176002074.db2.gz BRAVBHLRVNBHKG-GFCCVEGCSA-N 1 0 219.328 3.036 10 0 BGAERO CC[NH2+]C[C@H](OCCC(C)C)c1ccccc1 ZINC000050493209 170122761 /nfs/dbraw/zinc/12/27/61/170122761.db2.gz SFCACTICYBNYHK-HNNXBMFYSA-N 1 0 235.371 3.400 10 0 BGAERO CC[NH2+]C[C@@H](OCCC(C)C)c1ccccc1 ZINC000050493212 170120433 /nfs/dbraw/zinc/12/04/33/170120433.db2.gz SFCACTICYBNYHK-OAHLLOKOSA-N 1 0 235.371 3.400 10 0 BGAERO C[NH2+]C[C@@H](OCCC(C)C)c1cccc(C)c1 ZINC000050493313 173367165 /nfs/dbraw/zinc/36/71/65/173367165.db2.gz SSAAOPFWKBJYQT-OAHLLOKOSA-N 1 0 235.371 3.318 10 0 BGAERO C[NH2+]C[C@H](OCCC(C)C)c1cccc(C)c1 ZINC000050493316 173377935 /nfs/dbraw/zinc/37/79/35/173377935.db2.gz SSAAOPFWKBJYQT-HNNXBMFYSA-N 1 0 235.371 3.318 10 0 BGAERO C[NH2+]C[C@H](OCCC(C)C)c1ccccc1F ZINC000050493456 173378149 /nfs/dbraw/zinc/37/81/49/173378149.db2.gz BVENHRXOZXFLAG-AWEZNQCLSA-N 1 0 239.334 3.149 10 0 BGAERO C[NH2+]C[C@@H](OCCC(C)C)c1ccccc1F ZINC000050493459 173366990 /nfs/dbraw/zinc/36/69/90/173366990.db2.gz BVENHRXOZXFLAG-CQSZACIVSA-N 1 0 239.334 3.149 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1OCc1ccccc1Cl ZINC000050503255 181642354 /nfs/dbraw/zinc/64/23/54/181642354.db2.gz PQZOGPAKSOUDFZ-QWHCGFSZSA-N 1 0 239.746 3.127 10 0 BGAERO CCC[NH2+]C[C@]1(OCC2CC2)CCC[C@H](C)C1 ZINC000050503945 169264966 /nfs/dbraw/zinc/26/49/66/169264966.db2.gz YLTLJIYKWYFQSI-ZFWWWQNUSA-N 1 0 239.403 3.362 10 0 BGAERO CCC[NH2+]C[C@@]1(OCC2CC2)CCC[C@H](C)C1 ZINC000050503947 169263613 /nfs/dbraw/zinc/26/36/13/169263613.db2.gz YLTLJIYKWYFQSI-DZGCQCFKSA-N 1 0 239.403 3.362 10 0 BGAERO CCC[NH2+]C[C@]1(OCC2CC2)CCC[C@@H](C)C1 ZINC000050503949 169264624 /nfs/dbraw/zinc/26/46/24/169264624.db2.gz YLTLJIYKWYFQSI-HIFRSBDPSA-N 1 0 239.403 3.362 10 0 BGAERO CCC[NH2+]C[C@@]1(OCC2CC2)CCC[C@@H](C)C1 ZINC000050503950 169263176 /nfs/dbraw/zinc/26/31/76/169263176.db2.gz YLTLJIYKWYFQSI-UKRRQHHQSA-N 1 0 239.403 3.362 10 0 BGAERO C[C@@H]1CCC[C@@](C[NH3+])(OCc2ccccc2)C1 ZINC000050504163 344702995 /nfs/dbraw/zinc/70/29/95/344702995.db2.gz YLIJVQGLBAMJBE-UKRRQHHQSA-N 1 0 233.355 3.111 10 0 BGAERO C[C@H]1CCC[C@@](C[NH3+])(OCc2ccccc2)C1 ZINC000050504165 344703008 /nfs/dbraw/zinc/70/30/08/344703008.db2.gz YLIJVQGLBAMJBE-DZGCQCFKSA-N 1 0 233.355 3.111 10 0 BGAERO C[C@@H]1CCC[C@](C[NH3+])(OCc2ccccc2)C1 ZINC000050504167 344702989 /nfs/dbraw/zinc/70/29/89/344702989.db2.gz YLIJVQGLBAMJBE-HIFRSBDPSA-N 1 0 233.355 3.111 10 0 BGAERO C[C@H]1CCC[C@](C[NH3+])(OCc2ccccc2)C1 ZINC000050504169 344703010 /nfs/dbraw/zinc/70/30/10/344703010.db2.gz YLIJVQGLBAMJBE-ZFWWWQNUSA-N 1 0 233.355 3.111 10 0 BGAERO C[NH2+]C[C@@]1(OCc2ccccc2)CCC[C@@H](C)C1 ZINC000050504170 173372974 /nfs/dbraw/zinc/37/29/74/173372974.db2.gz INRYISZRFIEEDW-GDBMZVCRSA-N 1 0 247.382 3.372 10 0 BGAERO C[NH2+]C[C@@]1(OCc2ccccc2)CCC[C@H](C)C1 ZINC000050504172 173373453 /nfs/dbraw/zinc/37/34/53/173373453.db2.gz INRYISZRFIEEDW-GOEBONIOSA-N 1 0 247.382 3.372 10 0 BGAERO C[NH2+]C[C@]1(OCc2ccccc2)CCC[C@@H](C)C1 ZINC000050504173 173384413 /nfs/dbraw/zinc/38/44/13/173384413.db2.gz INRYISZRFIEEDW-ZBFHGGJFSA-N 1 0 247.382 3.372 10 0 BGAERO C[NH2+]C[C@]1(OCc2ccccc2)CCC[C@H](C)C1 ZINC000050504175 173384170 /nfs/dbraw/zinc/38/41/70/173384170.db2.gz INRYISZRFIEEDW-HOCLYGCPSA-N 1 0 247.382 3.372 10 0 BGAERO CC1CCC(O[C@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000050504294 168168085 /nfs/dbraw/zinc/16/80/85/168168085.db2.gz ZTYWAFKRJLBEER-OOJKYFRXSA-N 1 0 239.403 3.489 10 0 BGAERO CC1CCC(O[C@@]2(C[NH3+])CCC[C@H](C)C2)CC1 ZINC000050504295 168168024 /nfs/dbraw/zinc/16/80/24/168168024.db2.gz ZTYWAFKRJLBEER-SHWKFHJASA-N 1 0 239.403 3.489 10 0 BGAERO CC1CCC(O[C@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000050504297 168168252 /nfs/dbraw/zinc/16/82/52/168168252.db2.gz ZTYWAFKRJLBEER-HXSCFSKGSA-N 1 0 239.403 3.489 10 0 BGAERO CC1CCC(O[C@@]2(C[NH3+])CCC[C@@H](C)C2)CC1 ZINC000050504298 168167934 /nfs/dbraw/zinc/16/79/34/168167934.db2.gz ZTYWAFKRJLBEER-JYVUQVBGSA-N 1 0 239.403 3.489 10 0 BGAERO C[C@@H]1CCC[C@@](C[NH3+])(OCCc2ccccc2)C1 ZINC000050504696 176133573 /nfs/dbraw/zinc/13/35/73/176133573.db2.gz ZKLXUZUOEJZRNO-GDBMZVCRSA-N 1 0 247.382 3.153 10 0 BGAERO C[C@H]1CCC[C@@](C[NH3+])(OCCc2ccccc2)C1 ZINC000050504698 177127728 /nfs/dbraw/zinc/12/77/28/177127728.db2.gz ZKLXUZUOEJZRNO-GOEBONIOSA-N 1 0 247.382 3.153 10 0 BGAERO C[C@@H]1CCC[C@](C[NH3+])(OCCc2ccccc2)C1 ZINC000050504700 176151933 /nfs/dbraw/zinc/15/19/33/176151933.db2.gz ZKLXUZUOEJZRNO-ZBFHGGJFSA-N 1 0 247.382 3.153 10 0 BGAERO C[C@H]1CCC[C@](C[NH3+])(OCCc2ccccc2)C1 ZINC000050504701 177143876 /nfs/dbraw/zinc/14/38/76/177143876.db2.gz ZKLXUZUOEJZRNO-HOCLYGCPSA-N 1 0 247.382 3.153 10 0 BGAERO C[C@H]([NH3+])[C@@H](OC1CCC1)c1ccc(Cl)cc1 ZINC000050519215 176765136 /nfs/dbraw/zinc/76/51/36/176765136.db2.gz STGLCHUACJFEOQ-TVQRCGJNSA-N 1 0 239.746 3.297 10 0 BGAERO CC[C@H]([NH3+])[C@@H](OC1CCC1)c1ccccc1OC ZINC000050519307 171487364 /nfs/dbraw/zinc/48/73/64/171487364.db2.gz WEFBWFYFROTLHD-ZFWWWQNUSA-N 1 0 249.354 3.043 10 0 BGAERO CC[C@@H]([NH3+])[C@H](OC1CCC1)c1ccc(OC)cc1 ZINC000050519376 170868998 /nfs/dbraw/zinc/86/89/98/170868998.db2.gz FTYMIWWUFMDZCJ-HUUCEWRRSA-N 1 0 249.354 3.043 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](OC1CCC1)c1ccc(OC)cc1 ZINC000050519378 170866931 /nfs/dbraw/zinc/86/69/31/170866931.db2.gz FTYMIWWUFMDZCJ-CABCVRRESA-N 1 0 249.354 3.043 10 0 BGAERO CCC[NH2+][C@@H](COC1CCC1)c1ccccc1 ZINC000050519732 169279772 /nfs/dbraw/zinc/27/97/72/169279772.db2.gz KTYSPPSSBAETSY-HNNXBMFYSA-N 1 0 233.355 3.296 10 0 BGAERO CCC[NH2+][C@H](COC1CCC1)c1ccccc1 ZINC000050519733 169289348 /nfs/dbraw/zinc/28/93/48/169289348.db2.gz KTYSPPSSBAETSY-OAHLLOKOSA-N 1 0 233.355 3.296 10 0 BGAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)OC1CCC1 ZINC000050519784 173427956 /nfs/dbraw/zinc/42/79/56/173427956.db2.gz ILAQTODEMRNSHB-IUODEOHRSA-N 1 0 233.355 3.213 10 0 BGAERO C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)OC1CCC1 ZINC000050519786 173427464 /nfs/dbraw/zinc/42/74/64/173427464.db2.gz ILAQTODEMRNSHB-SWLSCSKDSA-N 1 0 233.355 3.213 10 0 BGAERO CCC[NH2+][C@@H]1c2ccccc2C[C@@H]1OC1CCC1 ZINC000050520269 169284010 /nfs/dbraw/zinc/28/40/10/169284010.db2.gz LIXBQQNOXXDLQH-JKSUJKDBSA-N 1 0 245.366 3.221 10 0 BGAERO CCC[NH2+][C@H]1c2ccccc2C[C@@H]1OC1CCC1 ZINC000050520270 169292503 /nfs/dbraw/zinc/29/25/03/169292503.db2.gz LIXBQQNOXXDLQH-HOTGVXAUSA-N 1 0 245.366 3.221 10 0 BGAERO CCC[NH2+][C@@H]1c2ccccc2C[C@H]1OC1CCC1 ZINC000050520271 169283963 /nfs/dbraw/zinc/28/39/63/169283963.db2.gz LIXBQQNOXXDLQH-HZPDHXFCSA-N 1 0 245.366 3.221 10 0 BGAERO CCC[NH2+][C@H]1c2ccccc2C[C@H]1OC1CCC1 ZINC000050520272 169293130 /nfs/dbraw/zinc/29/31/30/169293130.db2.gz LIXBQQNOXXDLQH-CVEARBPZSA-N 1 0 245.366 3.221 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(OC2CCC2)c(F)c1 ZINC000050520686 170141878 /nfs/dbraw/zinc/14/18/78/170141878.db2.gz RVTNCZIDZTUTCD-JTQLQIEISA-N 1 0 237.318 3.428 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(OC2CCC2)c(F)c1 ZINC000050520687 170159591 /nfs/dbraw/zinc/15/95/91/170159591.db2.gz RVTNCZIDZTUTCD-SNVBAGLBSA-N 1 0 237.318 3.428 10 0 BGAERO COc1ccc2cc([C@@H]3[NH2+]CCS3)ccc2c1 ZINC000050522806 175224498 /nfs/dbraw/zinc/22/44/98/175224498.db2.gz VPIRTJIKDFGBST-CQSZACIVSA-N 1 0 245.347 3.183 10 0 BGAERO COc1ccc2cc([C@H]3[NH2+]CCS3)ccc2c1 ZINC000050522808 175226102 /nfs/dbraw/zinc/22/61/02/175226102.db2.gz VPIRTJIKDFGBST-AWEZNQCLSA-N 1 0 245.347 3.183 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@@H]1n1ncc2ccccc21 ZINC000050524804 169282446 /nfs/dbraw/zinc/28/24/46/169282446.db2.gz XMCNCZOTIRKMIV-HIFRSBDPSA-N 1 0 243.354 3.130 10 0 BGAERO CCC[NH2+][C@H]1CCC[C@@H]1n1ncc2ccccc21 ZINC000050524806 169292079 /nfs/dbraw/zinc/29/20/79/169292079.db2.gz XMCNCZOTIRKMIV-ZFWWWQNUSA-N 1 0 243.354 3.130 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@H]1n1ncc2ccccc21 ZINC000050524807 169282008 /nfs/dbraw/zinc/28/20/08/169282008.db2.gz XMCNCZOTIRKMIV-UKRRQHHQSA-N 1 0 243.354 3.130 10 0 BGAERO CCC[NH2+][C@H]1CCC[C@H]1n1ncc2ccccc21 ZINC000050524809 169291825 /nfs/dbraw/zinc/29/18/25/169291825.db2.gz XMCNCZOTIRKMIV-DZGCQCFKSA-N 1 0 243.354 3.130 10 0 BGAERO CC[NH2+][C@@H]1CCCCC[C@@H]1Cc1cnn(CC)c1 ZINC000050540868 170150269 /nfs/dbraw/zinc/15/02/69/170150269.db2.gz ZNAZBPHCKRMUTP-HUUCEWRRSA-N 1 0 249.402 3.004 10 0 BGAERO CC[NH2+][C@H]1CCCCC[C@@H]1Cc1cnn(CC)c1 ZINC000050540869 170166268 /nfs/dbraw/zinc/16/62/68/170166268.db2.gz ZNAZBPHCKRMUTP-CABCVRRESA-N 1 0 249.402 3.004 10 0 BGAERO CC[NH2+][C@@H]1CCCCC[C@H]1Cc1cnn(CC)c1 ZINC000050540870 170150612 /nfs/dbraw/zinc/15/06/12/170150612.db2.gz ZNAZBPHCKRMUTP-LSDHHAIUSA-N 1 0 249.402 3.004 10 0 BGAERO CC[NH2+][C@H]1CCCCC[C@H]1Cc1cnn(CC)c1 ZINC000050540871 170165556 /nfs/dbraw/zinc/16/55/56/170165556.db2.gz ZNAZBPHCKRMUTP-GJZGRUSLSA-N 1 0 249.402 3.004 10 0 BGAERO CC[NH2+][C@@H](Cc1cnn(CC)c1)C1CCCCC1 ZINC000050542861 170146708 /nfs/dbraw/zinc/14/67/08/170146708.db2.gz LXCMAGIDOTYNPJ-HNNXBMFYSA-N 1 0 249.402 3.004 10 0 BGAERO CC[NH2+][C@H](Cc1cnn(CC)c1)C1CCCCC1 ZINC000050542862 170163026 /nfs/dbraw/zinc/16/30/26/170163026.db2.gz LXCMAGIDOTYNPJ-OAHLLOKOSA-N 1 0 249.402 3.004 10 0 BGAERO CCC[NH2+][C@@H](Cc1cnn(CC)c1)C1CCCC1 ZINC000050542975 169279084 /nfs/dbraw/zinc/27/90/84/169279084.db2.gz VNEDIYQAGSURBQ-HNNXBMFYSA-N 1 0 249.402 3.004 10 0 BGAERO CCC[NH2+][C@H](Cc1cnn(CC)c1)C1CCCC1 ZINC000050542976 169289606 /nfs/dbraw/zinc/28/96/06/169289606.db2.gz VNEDIYQAGSURBQ-OAHLLOKOSA-N 1 0 249.402 3.004 10 0 BGAERO CC1CCC(CN)([N@@H+]2CCC[C@H](C)[C@@H]2C)CC1 ZINC000050563978 168153806 /nfs/dbraw/zinc/15/38/06/168153806.db2.gz PPYNXCRBRSGRBY-GQKFXUNGSA-N 1 0 238.419 3.014 10 0 BGAERO CC1CCC(CN)([N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000050563979 168152836 /nfs/dbraw/zinc/15/28/36/168152836.db2.gz PPYNXCRBRSGRBY-FUUBYGMNSA-N 1 0 238.419 3.014 10 0 BGAERO Cc1ccccc1[C@H](N)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050564360 179344026 /nfs/dbraw/zinc/34/40/26/179344026.db2.gz JPHHAURCWGYOTD-DUVNUKRYSA-N 1 0 246.398 3.115 10 0 BGAERO CCC[NH2+][C@H](CC)[C@H](C)N1CCC[C@H](C)[C@@H]1C ZINC000050564621 169288428 /nfs/dbraw/zinc/28/84/28/169288428.db2.gz LLELNYRTWXPSBP-ZQDZILKHSA-N 1 0 240.435 3.274 10 0 BGAERO Cc1ccccc1C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1C ZINC000050565967 179245601 /nfs/dbraw/zinc/24/56/01/179245601.db2.gz MADNOKOLXLDPPJ-JSGCOSHPSA-N 1 0 245.366 3.298 10 0 BGAERO Cc1ccccc1C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000050565968 179245246 /nfs/dbraw/zinc/24/52/46/179245246.db2.gz MADNOKOLXLDPPJ-OCCSQVGLSA-N 1 0 245.366 3.298 10 0 BGAERO C[NH2+]Cc1ccccc1N1CCC[C@@H](C)[C@H]1C ZINC000050566021 132359065 /nfs/dbraw/zinc/35/90/65/132359065.db2.gz UFKJKGUQOQEZJS-CHWSQXEVSA-N 1 0 232.371 3.031 10 0 BGAERO Cc1cc(N(C)c2ccc(F)cc2)ccc1C[NH3+] ZINC000050584836 178102581 /nfs/dbraw/zinc/10/25/81/178102581.db2.gz IBHSAMLYLYMKJA-UHFFFAOYSA-N 1 0 244.313 3.361 10 0 BGAERO Cc1cc(N(C)c2ccccc2F)ccc1C[NH3+] ZINC000050584974 178102790 /nfs/dbraw/zinc/10/27/90/178102790.db2.gz DJHRIDXZGMUKKW-UHFFFAOYSA-N 1 0 244.313 3.361 10 0 BGAERO Cc1cc(Oc2ccccc2F)ccc1C[NH3+] ZINC000050585389 178216085 /nfs/dbraw/zinc/21/60/85/178216085.db2.gz FDESCAQEAFQIOE-UHFFFAOYSA-N 1 0 231.270 3.385 10 0 BGAERO Cc1cc(Oc2ccc(F)cc2)ccc1C[NH3+] ZINC000050585420 178214436 /nfs/dbraw/zinc/21/44/36/178214436.db2.gz KZONNCMMMLUMCZ-UHFFFAOYSA-N 1 0 231.270 3.385 10 0 BGAERO COc1ccccc1Oc1ccc(C[NH3+])c(C)c1 ZINC000050585444 175342856 /nfs/dbraw/zinc/34/28/56/175342856.db2.gz IRCLUFFPOYZSBU-UHFFFAOYSA-N 1 0 243.306 3.255 10 0 BGAERO CC[NH2+]Cc1ccc(Oc2cccnc2)cc1C ZINC000050585508 170127664 /nfs/dbraw/zinc/12/76/64/170127664.db2.gz YHCISYCZWRBVAT-UHFFFAOYSA-N 1 0 242.322 3.292 10 0 BGAERO Cc1nn([C@@H]([C@@H](C)[NH3+])C(C)(C)C)c(C)c1Cl ZINC000050586275 180392181 /nfs/dbraw/zinc/39/21/81/180392181.db2.gz WHJBSSKFQXWXMQ-HQJQHLMTSA-N 1 0 243.782 3.088 10 0 BGAERO Cc1nn([C@H]([C@@H](C)[NH3+])C(C)(C)C)c(C)c1Cl ZINC000050586277 180393175 /nfs/dbraw/zinc/39/31/75/180393175.db2.gz WHJBSSKFQXWXMQ-RDDDGLTNSA-N 1 0 243.782 3.088 10 0 BGAERO Cc1nn([C@@H]([C@H](C)[NH3+])C(C)(C)C)c(C)c1Cl ZINC000050586279 180392227 /nfs/dbraw/zinc/39/22/27/180392227.db2.gz WHJBSSKFQXWXMQ-CPCISQLKSA-N 1 0 243.782 3.088 10 0 BGAERO Cc1nn([C@H]([C@H](C)[NH3+])C(C)(C)C)c(C)c1Cl ZINC000050586280 180393076 /nfs/dbraw/zinc/39/30/76/180393076.db2.gz WHJBSSKFQXWXMQ-WRWORJQWSA-N 1 0 243.782 3.088 10 0 BGAERO [NH3+]C1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000050602028 181333984 /nfs/dbraw/zinc/33/39/84/181333984.db2.gz GJXBCMBARUYZGT-UHFFFAOYSA-N 1 0 229.245 3.433 10 0 BGAERO C[C@H](Nc1[nH+]ccn1C)c1ccc(Cl)s1 ZINC000050606336 176940433 /nfs/dbraw/zinc/94/04/33/176940433.db2.gz WINQGKQLTXUUID-ZETCQYMHSA-N 1 0 241.747 3.308 10 0 BGAERO Cc1cc([C@@H](C)Nc2[nH+]ccn2C)c(C)s1 ZINC000050606428 178234029 /nfs/dbraw/zinc/23/40/29/178234029.db2.gz KPTAWUSLPHUUDA-SECBINFHSA-N 1 0 235.356 3.272 10 0 BGAERO Cc1cc([C@H](C)Nc2[nH+]ccn2C)c(C)s1 ZINC000050606430 178259974 /nfs/dbraw/zinc/25/99/74/178259974.db2.gz KPTAWUSLPHUUDA-VIFPVBQESA-N 1 0 235.356 3.272 10 0 BGAERO CCn1cc[nH+]c1N[C@@H](C)c1ccccc1 ZINC000050608219 172228144 /nfs/dbraw/zinc/22/81/44/172228144.db2.gz DQSOSWIJPSWQQO-NSHDSACASA-N 1 0 215.300 3.076 10 0 BGAERO CCn1cc[nH+]c1N[C@H](C)c1ccccc1 ZINC000050608221 172227794 /nfs/dbraw/zinc/22/77/94/172227794.db2.gz DQSOSWIJPSWQQO-LLVKDONJSA-N 1 0 215.300 3.076 10 0 BGAERO CCn1cc[nH+]c1NC1CCCCCC1 ZINC000050608404 172227766 /nfs/dbraw/zinc/22/77/66/172227766.db2.gz PLQIIQRLRHUHPD-UHFFFAOYSA-N 1 0 207.321 3.038 10 0 BGAERO CCn1cc[nH+]c1N[C@@H](C)c1ccc(C)s1 ZINC000050614202 172226997 /nfs/dbraw/zinc/22/69/97/172226997.db2.gz WKAFPIZOEVAAPV-JTQLQIEISA-N 1 0 235.356 3.446 10 0 BGAERO CCn1cc[nH+]c1N[C@H](C)c1ccc(C)s1 ZINC000050614203 172226964 /nfs/dbraw/zinc/22/69/64/172226964.db2.gz WKAFPIZOEVAAPV-SNVBAGLBSA-N 1 0 235.356 3.446 10 0 BGAERO CCn1cc[nH+]c1N[C@@H](C)c1cccc(F)c1 ZINC000050614235 172228061 /nfs/dbraw/zinc/22/80/61/172228061.db2.gz KOWHAJWHBATVNK-JTQLQIEISA-N 1 0 233.290 3.215 10 0 BGAERO CCn1cc[nH+]c1N[C@H](C)c1cccc(F)c1 ZINC000050614236 172228499 /nfs/dbraw/zinc/22/84/99/172228499.db2.gz KOWHAJWHBATVNK-SNVBAGLBSA-N 1 0 233.290 3.215 10 0 BGAERO CCn1cc[nH+]c1NC[C@@H]1CCCC[C@@H]1C ZINC000050614263 172228547 /nfs/dbraw/zinc/22/85/47/172228547.db2.gz LHWYLGQCSMYZPG-RYUDHWBXSA-N 1 0 221.348 3.141 10 0 BGAERO CCn1cc[nH+]c1NC[C@H]1CCCC[C@@H]1C ZINC000050614264 172228608 /nfs/dbraw/zinc/22/86/08/172228608.db2.gz LHWYLGQCSMYZPG-NWDGAFQWSA-N 1 0 221.348 3.141 10 0 BGAERO CCn1cc[nH+]c1NC[C@@H]1CCCC[C@H]1C ZINC000050614265 172228288 /nfs/dbraw/zinc/22/82/88/172228288.db2.gz LHWYLGQCSMYZPG-NEPJUHHUSA-N 1 0 221.348 3.141 10 0 BGAERO CCn1cc[nH+]c1NC[C@H]1CCCC[C@H]1C ZINC000050614266 172227277 /nfs/dbraw/zinc/22/72/77/172227277.db2.gz LHWYLGQCSMYZPG-VXGBXAGGSA-N 1 0 221.348 3.141 10 0 BGAERO CCn1cc[nH+]c1N[C@@H](C)c1cc(C)oc1C ZINC000050614289 172228014 /nfs/dbraw/zinc/22/80/14/172228014.db2.gz BGAZYYQROZWCBK-JTQLQIEISA-N 1 0 233.315 3.286 10 0 BGAERO CCn1cc[nH+]c1N[C@H](C)c1cc(C)oc1C ZINC000050614290 172227781 /nfs/dbraw/zinc/22/77/81/172227781.db2.gz BGAZYYQROZWCBK-SNVBAGLBSA-N 1 0 233.315 3.286 10 0 BGAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(C)cc2C)o1 ZINC000050618683 170142760 /nfs/dbraw/zinc/14/27/60/170142760.db2.gz LVEOFNAGXWRLKJ-NSHDSACASA-N 1 0 245.326 3.024 10 0 BGAERO CC[NH2+][C@H](C)c1nnc(-c2ccc(C)cc2C)o1 ZINC000050618684 170159663 /nfs/dbraw/zinc/15/96/63/170159663.db2.gz LVEOFNAGXWRLKJ-LLVKDONJSA-N 1 0 245.326 3.024 10 0 BGAERO CC[NH2+][C@@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000050618745 170142550 /nfs/dbraw/zinc/14/25/50/170142550.db2.gz VUNKSZMMXCOCOO-NSHDSACASA-N 1 0 245.326 3.024 10 0 BGAERO CC[NH2+][C@H](C)c1nnc(-c2ccc(C)c(C)c2)o1 ZINC000050618746 170160399 /nfs/dbraw/zinc/16/03/99/170160399.db2.gz VUNKSZMMXCOCOO-LLVKDONJSA-N 1 0 245.326 3.024 10 0 BGAERO CCC[NH2+][C@H](C)c1nnc(C2CCCCC2)o1 ZINC000050619078 169288316 /nfs/dbraw/zinc/28/83/16/169288316.db2.gz ANJJRBPCJJCRGX-SNVBAGLBSA-N 1 0 237.347 3.178 10 0 BGAERO C[NH2+][C@@H](CCc1cc(C)ccc1OC)C(C)C ZINC000050705572 173423354 /nfs/dbraw/zinc/42/33/54/173423354.db2.gz DUJIKAIGYLXJCG-AWEZNQCLSA-N 1 0 235.371 3.180 10 0 BGAERO C[NH2+][C@H]1CCCC[C@H]1Cc1cc(C)ccc1OC ZINC000050705641 173460714 /nfs/dbraw/zinc/46/07/14/173460714.db2.gz OTSCRBDQSZOIGT-ZFWWWQNUSA-N 1 0 247.382 3.324 10 0 BGAERO COc1ccc(C)cc1C[C@H]1CCCCC[C@@H]1[NH3+] ZINC000050705674 175076483 /nfs/dbraw/zinc/07/64/83/175076483.db2.gz DPFXLNKROWGASD-HIFRSBDPSA-N 1 0 247.382 3.454 10 0 BGAERO COc1ccc(C)cc1C[C@H]1CCCCC[C@H]1[NH3+] ZINC000050705676 175076671 /nfs/dbraw/zinc/07/66/71/175076671.db2.gz DPFXLNKROWGASD-UKRRQHHQSA-N 1 0 247.382 3.454 10 0 BGAERO COc1ccc(C)cc1C[C@]1([NH3+])CCCC[C@@H]1C ZINC000050706036 175076700 /nfs/dbraw/zinc/07/67/00/175076700.db2.gz BUPHKRHZWFMRST-XJKSGUPXSA-N 1 0 247.382 3.454 10 0 BGAERO COc1ccc(C)cc1C[C@@]1([NH3+])CCCC[C@@H]1C ZINC000050706037 175076637 /nfs/dbraw/zinc/07/66/37/175076637.db2.gz BUPHKRHZWFMRST-BBRMVZONSA-N 1 0 247.382 3.454 10 0 BGAERO COc1ccc(C)cc1C[C@]1([NH3+])CCCC[C@H]1C ZINC000050706038 175077003 /nfs/dbraw/zinc/07/70/03/175077003.db2.gz BUPHKRHZWFMRST-CZUORRHYSA-N 1 0 247.382 3.454 10 0 BGAERO COc1ccc(C)cc1C[C@@]1([NH3+])CCCC[C@H]1C ZINC000050706039 175077058 /nfs/dbraw/zinc/07/70/58/175077058.db2.gz BUPHKRHZWFMRST-CJNGLKHVSA-N 1 0 247.382 3.454 10 0 BGAERO CC[C@@]([NH3+])(Cc1cc(C)ccc1OC)C(C)C ZINC000050706115 171193036 /nfs/dbraw/zinc/19/30/36/171193036.db2.gz VICADDWUBKKXDK-OAHLLOKOSA-N 1 0 235.371 3.310 10 0 BGAERO CC[C@]([NH3+])(Cc1cc(C)ccc1OC)C(C)C ZINC000050706116 171709845 /nfs/dbraw/zinc/70/98/45/171709845.db2.gz VICADDWUBKKXDK-HNNXBMFYSA-N 1 0 235.371 3.310 10 0 BGAERO CCC[C@@H](Cc1cc(C)ccc1OC)[NH2+]CC ZINC000050706812 169385873 /nfs/dbraw/zinc/38/58/73/169385873.db2.gz PIKJHPFOZBIRKQ-AWEZNQCLSA-N 1 0 235.371 3.324 10 0 BGAERO COc1ccc(C)cc1C[C@H]([NH3+])CCC(C)C ZINC000050706947 175076577 /nfs/dbraw/zinc/07/65/77/175076577.db2.gz VRRZVUCKYHCBCE-CQSZACIVSA-N 1 0 235.371 3.310 10 0 BGAERO CCC[NH+](CCC)Cc1ccc(NCC)nc1 ZINC000050792710 169148370 /nfs/dbraw/zinc/14/83/70/169148370.db2.gz NWNKXQCVFRAZNA-UHFFFAOYSA-N 1 0 235.375 3.135 10 0 BGAERO CCNc1ccc(C[N@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000050792840 170173594 /nfs/dbraw/zinc/17/35/94/170173594.db2.gz ZVANJGNTMKXGMG-BETUJISGSA-N 1 0 247.386 3.276 10 0 BGAERO CCNc1ccc(C[NH+]2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000050792841 170173571 /nfs/dbraw/zinc/17/35/71/170173571.db2.gz ZVANJGNTMKXGMG-STQMWFEESA-N 1 0 247.386 3.276 10 0 BGAERO CCNc1ccc(C[NH+]2[C@H](C)CCC[C@H]2C)cn1 ZINC000050792842 170173791 /nfs/dbraw/zinc/17/37/91/170173791.db2.gz ZVANJGNTMKXGMG-CHWSQXEVSA-N 1 0 247.386 3.276 10 0 BGAERO CCCNc1nc2ccccc2cc1C[NH+](C)C ZINC000050792933 169297068 /nfs/dbraw/zinc/29/70/68/169297068.db2.gz QFBIDTAFNYSEKX-UHFFFAOYSA-N 1 0 243.354 3.118 10 0 BGAERO CCNc1ccc(C[N@@H+]2CCCC[C@H]2CC)cn1 ZINC000050812914 170173782 /nfs/dbraw/zinc/17/37/82/170173782.db2.gz SGADHKNPZMYSIN-CQSZACIVSA-N 1 0 247.386 3.278 10 0 BGAERO CCNc1ccc(C[N@@H+]2CCCC[C@@H]2CC)cn1 ZINC000050812915 170173305 /nfs/dbraw/zinc/17/33/05/170173305.db2.gz SGADHKNPZMYSIN-AWEZNQCLSA-N 1 0 247.386 3.278 10 0 BGAERO CCC[C@@H](C)[N@H+](C)Cc1ccc(NCC)nc1 ZINC000050814007 169365708 /nfs/dbraw/zinc/36/57/08/169365708.db2.gz QQFHBDYIRWKQCA-GFCCVEGCSA-N 1 0 235.375 3.134 10 0 BGAERO CCNc1ccc(C[N@H+](CC(C)C)C2CC2)cn1 ZINC000050815695 170173472 /nfs/dbraw/zinc/17/34/72/170173472.db2.gz RLGSVJXFFRIFLX-UHFFFAOYSA-N 1 0 247.386 3.134 10 0 BGAERO CCNc1ccc(C[N@H+](CC(C)C)C(C)C)cn1 ZINC000050817479 170173394 /nfs/dbraw/zinc/17/33/94/170173394.db2.gz WIEDNYICKKOOPD-UHFFFAOYSA-N 1 0 249.402 3.380 10 0 BGAERO CCNc1ccc(C[N@H+](CC2CC2)C(C)C)cn1 ZINC000050817612 170173411 /nfs/dbraw/zinc/17/34/11/170173411.db2.gz CPWZYFIQUGNOBM-UHFFFAOYSA-N 1 0 247.386 3.134 10 0 BGAERO CCCNc1cc[nH+]c2ccc(OC)cc12 ZINC000050843486 169295520 /nfs/dbraw/zinc/29/55/20/169295520.db2.gz KTFIMIJIFMHGHZ-UHFFFAOYSA-N 1 0 216.284 3.065 10 0 BGAERO CCNc1cc[nH+]c2ccc(OCC)cc12 ZINC000050843698 170175114 /nfs/dbraw/zinc/17/51/14/170175114.db2.gz MDDWUECOMYSBKF-UHFFFAOYSA-N 1 0 216.284 3.065 10 0 BGAERO CNc1cc[nH+]c2c(C)ccc(Cl)c12 ZINC000050843818 343619145 /nfs/dbraw/zinc/61/91/45/343619145.db2.gz PECFWPALHVFKGS-UHFFFAOYSA-N 1 0 206.676 3.238 10 0 BGAERO CCCNc1cc[nH+]c2cc(OC)c(OC)cc12 ZINC000050844194 169295955 /nfs/dbraw/zinc/29/59/55/169295955.db2.gz APVBPSMHYMIVFF-UHFFFAOYSA-N 1 0 246.310 3.074 10 0 BGAERO CCNc1cc[nH+]c2c(C)ccc(F)c12 ZINC000050844239 170175402 /nfs/dbraw/zinc/17/54/02/170175402.db2.gz CKZNZWHUYBCVOP-UHFFFAOYSA-N 1 0 204.248 3.114 10 0 BGAERO CCCNc1cc[nH+]c2ccc(N(C)C)cc12 ZINC000050844382 169295833 /nfs/dbraw/zinc/29/58/33/169295833.db2.gz BBIQFPYOKIJCBC-UHFFFAOYSA-N 1 0 229.327 3.123 10 0 BGAERO CCNc1cc[nH+]c2c(C)c(F)ccc12 ZINC000050844437 170175692 /nfs/dbraw/zinc/17/56/92/170175692.db2.gz WSWNRMYZQXEDQQ-UHFFFAOYSA-N 1 0 204.248 3.114 10 0 BGAERO CCNc1cc(C(C)C)[nH+]c(N2CCCCC2)n1 ZINC000050851883 132359489 /nfs/dbraw/zinc/35/94/89/132359489.db2.gz IPDURXGHMYZYGR-UHFFFAOYSA-N 1 0 248.374 3.022 10 0 BGAERO CCCNc1cc(C)[nH+]c2ccc(N(C)C)cc12 ZINC000050868460 169293620 /nfs/dbraw/zinc/29/36/20/169293620.db2.gz QFPBZXDYWKOOCZ-UHFFFAOYSA-N 1 0 243.354 3.431 10 0 BGAERO CCNc1c(C)c(C)[nH+]c2c(OC)cccc12 ZINC000050868687 170170302 /nfs/dbraw/zinc/17/03/02/170170302.db2.gz NMUTWHHVOSAYMK-UHFFFAOYSA-N 1 0 230.311 3.292 10 0 BGAERO CCNc1c2c([nH+]c3cc(F)cc(F)c31)CCC2 ZINC000050868735 170171497 /nfs/dbraw/zinc/17/14/97/170171497.db2.gz IABFBRBFDMTWJB-UHFFFAOYSA-N 1 0 248.276 3.434 10 0 BGAERO CCNc1cc(C)[nH+]c2cc(F)cc(F)c12 ZINC000050868740 170172499 /nfs/dbraw/zinc/17/24/99/170172499.db2.gz OIJTUEMTCOBHGE-UHFFFAOYSA-N 1 0 222.238 3.253 10 0 BGAERO CNc1cc(C)[nH+]c2ccc(Cl)cc12 ZINC000050869612 384513236 /nfs/dbraw/zinc/51/32/36/384513236.db2.gz YTGOTPXOGAWQKC-UHFFFAOYSA-N 1 0 206.676 3.238 10 0 BGAERO CCCCc1ccc2[nH+]c(C)cc(N)c2c1 ZINC000050869733 169024172 /nfs/dbraw/zinc/02/41/72/169024172.db2.gz YSHKPTGOZNIALK-UHFFFAOYSA-N 1 0 214.312 3.468 10 0 BGAERO Cc1cc(N)c2cc(C(C)C)ccc2[nH+]1 ZINC000050869741 178103530 /nfs/dbraw/zinc/10/35/30/178103530.db2.gz UGGIWFGIBKYCNA-UHFFFAOYSA-N 1 0 200.285 3.249 10 0 BGAERO CCNc1cc(C)[nH+]c2cc(F)c(F)cc12 ZINC000050870033 170171735 /nfs/dbraw/zinc/17/17/35/170171735.db2.gz OPTLZQOBICELOC-UHFFFAOYSA-N 1 0 222.238 3.253 10 0 BGAERO Cc1cc(N)c2cccc(C(C)C)c2[nH+]1 ZINC000050870602 178103626 /nfs/dbraw/zinc/10/36/26/178103626.db2.gz AQJSLMLGEGDAEB-UHFFFAOYSA-N 1 0 200.285 3.249 10 0 BGAERO COc1ccc2[nH+]c(C(C)(C)C)cc(N)c2c1 ZINC000050870836 175227320 /nfs/dbraw/zinc/22/73/20/175227320.db2.gz TXYPZIQPHCIYII-UHFFFAOYSA-N 1 0 230.311 3.123 10 0 BGAERO CCNc1cc(CC)[nH+]c2ccc(OC)cc12 ZINC000050870853 170172342 /nfs/dbraw/zinc/17/23/42/170172342.db2.gz XTCQECIWKCYNFP-UHFFFAOYSA-N 1 0 230.311 3.238 10 0 BGAERO CNc1c2cc(OC)ccc2[nH+]c2c1CCCC2 ZINC000050870857 173471985 /nfs/dbraw/zinc/47/19/85/173471985.db2.gz VAWQOKHOAAXWCN-UHFFFAOYSA-N 1 0 242.322 3.164 10 0 BGAERO CCNc1cc(C)[nH+]c2c(C)cccc12 ZINC000050870873 170171948 /nfs/dbraw/zinc/17/19/48/170171948.db2.gz ZBKSZVZCQGRJCW-UHFFFAOYSA-N 1 0 200.285 3.283 10 0 BGAERO COc1ccc(Cl)c2[nH+]c(C)c(C)c(N)c12 ZINC000050870971 175119657 /nfs/dbraw/zinc/11/96/57/175119657.db2.gz JDOTUHVRKNGSQI-UHFFFAOYSA-N 1 0 236.702 3.096 10 0 BGAERO CCNc1cc(C)[nH+]c2c(COC)cccc12 ZINC000050871066 170171963 /nfs/dbraw/zinc/17/19/63/170171963.db2.gz JBYSCORUIKZAKA-UHFFFAOYSA-N 1 0 230.311 3.121 10 0 BGAERO CCNc1c(C)c(C)[nH+]c2c(COC)cccc12 ZINC000050871089 170170398 /nfs/dbraw/zinc/17/03/98/170170398.db2.gz KWJMIDYDZNSZEJ-UHFFFAOYSA-N 1 0 244.338 3.430 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])[C@H](Cc2ccc(F)cc2F)C1 ZINC000050885328 176228478 /nfs/dbraw/zinc/22/84/78/176228478.db2.gz CWCXMWLFRCMFKM-PUYPPJJSSA-N 1 0 239.309 3.271 10 0 BGAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](Cc2ccc(F)cc2F)C1 ZINC000050885330 176208993 /nfs/dbraw/zinc/20/89/93/176208993.db2.gz CWCXMWLFRCMFKM-OLUVUFQESA-N 1 0 239.309 3.271 10 0 BGAERO CCCC1CC[NH+]([C@@H]2C[C@H](C)CC[C@@H]2O)CC1 ZINC000050905352 168608093 /nfs/dbraw/zinc/60/80/93/168608093.db2.gz WYIRXOFJZQPPJH-YUELXQCFSA-N 1 0 239.403 3.048 10 0 BGAERO C[C@@H](c1cccc(N)c1)[NH+]1Cc2ccccc2C1 ZINC000050910004 176017767 /nfs/dbraw/zinc/01/77/67/176017767.db2.gz FSNGRQRZGCMMLY-LBPRGKRZSA-N 1 0 238.334 3.346 10 0 BGAERO C[C@H](c1cccc(N)c1)[NH+]1Cc2ccccc2C1 ZINC000050910006 177037070 /nfs/dbraw/zinc/03/70/70/177037070.db2.gz FSNGRQRZGCMMLY-GFCCVEGCSA-N 1 0 238.334 3.346 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](N1Cc2ccccc2C1)C(C)(C)C ZINC000050910268 170867316 /nfs/dbraw/zinc/86/73/16/170867316.db2.gz RVVOKABRKKHWQT-HUUCEWRRSA-N 1 0 246.398 3.154 10 0 BGAERO Cc1ccccc1N(C)CCC[C@@H]1CCCC[NH2+]1 ZINC000050954214 179294882 /nfs/dbraw/zinc/29/48/82/179294882.db2.gz JGNAYRNVBOTFGQ-HNNXBMFYSA-N 1 0 246.398 3.354 10 0 BGAERO Cc1ccccc1N(C)CCC[C@H]1CCCC[NH2+]1 ZINC000050954226 179294728 /nfs/dbraw/zinc/29/47/28/179294728.db2.gz JGNAYRNVBOTFGQ-OAHLLOKOSA-N 1 0 246.398 3.354 10 0 BGAERO CCc1ccc([C@@H]([NH2+]C)[C@@H]2CCCCO2)s1 ZINC000050961294 171834750 /nfs/dbraw/zinc/83/47/50/171834750.db2.gz UNILHWUUVYYNCB-AAEUAGOBSA-N 1 0 239.384 3.140 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1CCCCO1 ZINC000050961343 173455603 /nfs/dbraw/zinc/45/56/03/173455603.db2.gz INFSAJARECOJSU-CHWSQXEVSA-N 1 0 239.746 3.170 10 0 BGAERO C[NH2+][C@H](c1ccc(C)cc1C)[C@H]1CCCCO1 ZINC000050961426 173455672 /nfs/dbraw/zinc/45/56/72/173455672.db2.gz UCRRELNAKIRILN-HUUCEWRRSA-N 1 0 233.355 3.133 10 0 BGAERO C[NH2+][C@@H](c1cc(C)ccc1C)[C@H]1CCCCO1 ZINC000050961517 173426839 /nfs/dbraw/zinc/42/68/39/173426839.db2.gz RDTZKGYKXFJRBD-CABCVRRESA-N 1 0 233.355 3.133 10 0 BGAERO C[NH2+][C@H](c1cc(C)ccc1C)[C@H]1CCCCO1 ZINC000050961519 173456004 /nfs/dbraw/zinc/45/60/04/173456004.db2.gz RDTZKGYKXFJRBD-HUUCEWRRSA-N 1 0 233.355 3.133 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1CCCCO1 ZINC000050961856 170147180 /nfs/dbraw/zinc/14/71/80/170147180.db2.gz IZECMNNUCQBWDF-WCQYABFASA-N 1 0 239.384 3.276 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)s1)[C@@H]1CCCCO1 ZINC000050961858 170163385 /nfs/dbraw/zinc/16/33/85/170163385.db2.gz IZECMNNUCQBWDF-AAEUAGOBSA-N 1 0 239.384 3.276 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@H]1CCCCO1 ZINC000050961860 170147597 /nfs/dbraw/zinc/14/75/97/170147597.db2.gz IZECMNNUCQBWDF-DGCLKSJQSA-N 1 0 239.384 3.276 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)s1)[C@H]1CCCCO1 ZINC000050961862 170163335 /nfs/dbraw/zinc/16/33/35/170163335.db2.gz IZECMNNUCQBWDF-YPMHNXCESA-N 1 0 239.384 3.276 10 0 BGAERO CCC[NH2+][C@@H](c1ccccc1)[C@@H]1CCCCO1 ZINC000050962428 169280432 /nfs/dbraw/zinc/28/04/32/169280432.db2.gz SYYITDGGVYNQQV-GJZGRUSLSA-N 1 0 233.355 3.296 10 0 BGAERO CCC[NH2+][C@H](c1ccccc1)[C@@H]1CCCCO1 ZINC000050962430 169290717 /nfs/dbraw/zinc/29/07/17/169290717.db2.gz SYYITDGGVYNQQV-LSDHHAIUSA-N 1 0 233.355 3.296 10 0 BGAERO CCC[NH2+][C@@H](c1ccccc1)[C@H]1CCCCO1 ZINC000050962432 169281199 /nfs/dbraw/zinc/28/11/99/169281199.db2.gz SYYITDGGVYNQQV-CABCVRRESA-N 1 0 233.355 3.296 10 0 BGAERO CCC[NH2+][C@H](c1ccccc1)[C@H]1CCCCO1 ZINC000050962434 169290866 /nfs/dbraw/zinc/29/08/66/169290866.db2.gz SYYITDGGVYNQQV-HUUCEWRRSA-N 1 0 233.355 3.296 10 0 BGAERO CC[NH2+][C@@H](c1sccc1C)[C@@H]1CCCCO1 ZINC000050963047 170149928 /nfs/dbraw/zinc/14/99/28/170149928.db2.gz BOMOMJSUJLPHCW-NWDGAFQWSA-N 1 0 239.384 3.276 10 0 BGAERO CC[NH2+][C@H](c1sccc1C)[C@@H]1CCCCO1 ZINC000050963049 170165096 /nfs/dbraw/zinc/16/50/96/170165096.db2.gz BOMOMJSUJLPHCW-RYUDHWBXSA-N 1 0 239.384 3.276 10 0 BGAERO CC[NH2+][C@@H](c1sccc1C)[C@H]1CCCCO1 ZINC000050963051 170149584 /nfs/dbraw/zinc/14/95/84/170149584.db2.gz BOMOMJSUJLPHCW-VXGBXAGGSA-N 1 0 239.384 3.276 10 0 BGAERO CC[NH2+][C@H](c1sccc1C)[C@H]1CCCCO1 ZINC000050963053 170165290 /nfs/dbraw/zinc/16/52/90/170165290.db2.gz BOMOMJSUJLPHCW-NEPJUHHUSA-N 1 0 239.384 3.276 10 0 BGAERO CCC[NH2+][C@H](C1=CCCCC1)[C@@H]1CCCCO1 ZINC000050963192 169288169 /nfs/dbraw/zinc/28/81/69/169288169.db2.gz SWSSXGASKFCIMV-LSDHHAIUSA-N 1 0 237.387 3.424 10 0 BGAERO CCC[NH2+][C@@H](C1=CCCCC1)[C@@H]1CCCCO1 ZINC000050963194 169276894 /nfs/dbraw/zinc/27/68/94/169276894.db2.gz SWSSXGASKFCIMV-GJZGRUSLSA-N 1 0 237.387 3.424 10 0 BGAERO CCC[NH2+][C@H](C1=CCCCC1)[C@H]1CCCCO1 ZINC000050963197 169288414 /nfs/dbraw/zinc/28/84/14/169288414.db2.gz SWSSXGASKFCIMV-HUUCEWRRSA-N 1 0 237.387 3.424 10 0 BGAERO CCC[NH2+][C@@H](C1=CCCCC1)[C@H]1CCCCO1 ZINC000050963199 169276990 /nfs/dbraw/zinc/27/69/90/169276990.db2.gz SWSSXGASKFCIMV-CABCVRRESA-N 1 0 237.387 3.424 10 0 BGAERO CCCC[C@H](CC)Cn1ccnc1C[NH2+]CC ZINC000051004682 169000152 /nfs/dbraw/zinc/00/01/52/169000152.db2.gz FZFWVHKQMVAUQB-ZDUSSCGKSA-N 1 0 237.391 3.209 10 0 BGAERO [NH3+]CCCNc1ccc(-c2ccccc2)cc1 ZINC000051040547 181383292 /nfs/dbraw/zinc/38/32/92/181383292.db2.gz LWTFIGBXWHWHEW-UHFFFAOYSA-N 1 0 226.323 3.114 10 0 BGAERO C[NH2+]CCCNc1ccc(-c2ccccc2)cc1 ZINC000051040574 173349947 /nfs/dbraw/zinc/34/99/47/173349947.db2.gz ICFLICAMQCWIRS-UHFFFAOYSA-N 1 0 240.350 3.375 10 0 BGAERO CCCc1cc(NN)[nH+]c([C@H]2CCC[C@H](C)C2)n1 ZINC000051152737 169567377 /nfs/dbraw/zinc/56/73/77/169567377.db2.gz WXYLKSNKJOFXQW-QWRGUYRKSA-N 1 0 248.374 3.008 10 0 BGAERO CC[NH2+]C[C@](C)(CC)CN1CCc2ccccc21 ZINC000051206733 170123268 /nfs/dbraw/zinc/12/32/68/170123268.db2.gz NWIULPRJKNDBOE-INIZCTEOSA-N 1 0 246.398 3.075 10 0 BGAERO CC[NH2+]C[C@@](C)(CC)CN1CCc2ccccc21 ZINC000051206734 170120779 /nfs/dbraw/zinc/12/07/79/170120779.db2.gz NWIULPRJKNDBOE-MRXNPFEDSA-N 1 0 246.398 3.075 10 0 BGAERO CC[NH2+]CC1(CN(C)c2ccccc2)CCCC1 ZINC000051209328 170110609 /nfs/dbraw/zinc/11/06/09/170110609.db2.gz ZWYVMKTWZYJGIU-UHFFFAOYSA-N 1 0 246.398 3.293 10 0 BGAERO CCC[NH+](CCC)C[C@@](C)(CN)c1ccccc1 ZINC000051211237 169148485 /nfs/dbraw/zinc/14/84/85/169148485.db2.gz XVVUATGRZFNZPR-MRXNPFEDSA-N 1 0 248.414 3.025 10 0 BGAERO CCC[NH+](CCC)C[C@](C)(CN)c1ccccc1 ZINC000051211239 169148933 /nfs/dbraw/zinc/14/89/33/169148933.db2.gz XVVUATGRZFNZPR-INIZCTEOSA-N 1 0 248.414 3.025 10 0 BGAERO CC[C@@](C)(C[NH3+])CN1c2ccccc2CC[C@@H]1C ZINC000051212337 535978426 /nfs/dbraw/zinc/97/84/26/535978426.db2.gz WENQESSHNYARNT-BBRMVZONSA-N 1 0 246.398 3.203 10 0 BGAERO CC[C@](C)(C[NH3+])CN1c2ccccc2CC[C@@H]1C ZINC000051212340 132359711 /nfs/dbraw/zinc/35/97/11/132359711.db2.gz WENQESSHNYARNT-XJKSGUPXSA-N 1 0 246.398 3.203 10 0 BGAERO CCC(CC)(C[NH3+])CN1c2ccccc2C[C@@H]1C ZINC000051212648 168323249 /nfs/dbraw/zinc/32/32/49/168323249.db2.gz PZDWUKDUXXFZJW-ZDUSSCGKSA-N 1 0 246.398 3.203 10 0 BGAERO CCC(CC)(C[NH3+])CN1c2ccccc2C[C@H]1C ZINC000051212650 168323043 /nfs/dbraw/zinc/32/30/43/168323043.db2.gz PZDWUKDUXXFZJW-CYBMUJFWSA-N 1 0 246.398 3.203 10 0 BGAERO CCN(CC(C)(C)C[NH2+]C)c1ccccc1C ZINC000051212813 169732454 /nfs/dbraw/zinc/73/24/54/169732454.db2.gz SDPOYOSLCWMQFX-UHFFFAOYSA-N 1 0 234.387 3.067 10 0 BGAERO CC[C@@](C)(C[NH2+]C)CN1CCCc2ccccc21 ZINC000051213108 132359857 /nfs/dbraw/zinc/35/98/57/132359857.db2.gz PFGWGQRHWXMNOM-INIZCTEOSA-N 1 0 246.398 3.075 10 0 BGAERO CC[C@](C)(C[NH2+]C)CN1CCCc2ccccc21 ZINC000051213110 132359850 /nfs/dbraw/zinc/35/98/50/132359850.db2.gz PFGWGQRHWXMNOM-MRXNPFEDSA-N 1 0 246.398 3.075 10 0 BGAERO CCN(C[C@@](C)(CC)C[NH2+]C)c1ccccc1 ZINC000051213925 169888429 /nfs/dbraw/zinc/88/84/29/169888429.db2.gz QSXWEWCBJMXCII-HNNXBMFYSA-N 1 0 234.387 3.149 10 0 BGAERO CCC[N@H+](C[C@](C)(CN)c1ccccc1)C(C)C ZINC000051215784 169172564 /nfs/dbraw/zinc/17/25/64/169172564.db2.gz NQSYPLCUIUKZBD-INIZCTEOSA-N 1 0 248.414 3.023 10 0 BGAERO CC[NH2+]C[C@](C)(CC)CN1Cc2ccccc2C1 ZINC000051249449 170123347 /nfs/dbraw/zinc/12/33/47/170123347.db2.gz BOJXGTMMDYWVJN-INIZCTEOSA-N 1 0 246.398 3.028 10 0 BGAERO CC[NH2+]C[C@@](C)(CC)CN1Cc2ccccc2C1 ZINC000051249450 170120927 /nfs/dbraw/zinc/12/09/27/170120927.db2.gz BOJXGTMMDYWVJN-MRXNPFEDSA-N 1 0 246.398 3.028 10 0 BGAERO CC[NH2+]CC(C)(C)CN(CC)c1cccc(C)c1 ZINC000051249808 170111354 /nfs/dbraw/zinc/11/13/54/170111354.db2.gz DCDYNIPERFUKLG-UHFFFAOYSA-N 1 0 248.414 3.457 10 0 BGAERO CCN(C[C@@](C)(CC)C[NH2+]C)c1cccc(C)c1 ZINC000051249821 169888093 /nfs/dbraw/zinc/88/80/93/169888093.db2.gz JBMGBXZMCFPWNX-INIZCTEOSA-N 1 0 248.414 3.457 10 0 BGAERO C[NH2+]CC1(CN(C)c2cccc(C)c2)CCCC1 ZINC000051252480 173337955 /nfs/dbraw/zinc/33/79/55/173337955.db2.gz BCEOWUUEUKRNFU-UHFFFAOYSA-N 1 0 246.398 3.211 10 0 BGAERO CCC[NH2+]CC(C)(C)CN(C)c1cccc(C)c1 ZINC000051252497 169255672 /nfs/dbraw/zinc/25/56/72/169255672.db2.gz RMOLRXVCMWPNIN-UHFFFAOYSA-N 1 0 248.414 3.457 10 0 BGAERO CC[C@@](C)(C[NH2+]C)CN(C)c1cccc(C)c1 ZINC000051252519 171166079 /nfs/dbraw/zinc/16/60/79/171166079.db2.gz WEBXLULQWNVICK-HNNXBMFYSA-N 1 0 234.387 3.067 10 0 BGAERO CC[C@](C)(C[NH2+]C)CN(C)c1cccc(C)c1 ZINC000051252520 171692983 /nfs/dbraw/zinc/69/29/83/171692983.db2.gz WEBXLULQWNVICK-OAHLLOKOSA-N 1 0 234.387 3.067 10 0 BGAERO CCC[C@@](C)(C[NH2+]C)CN(C)c1ccc(C)cc1 ZINC000051252911 169448581 /nfs/dbraw/zinc/44/85/81/169448581.db2.gz ZBNQQVBIKROCRU-INIZCTEOSA-N 1 0 248.414 3.457 10 0 BGAERO CC[NH2+]CC(C)(C)CN(C)c1ccc(C)cc1 ZINC000051252929 170111181 /nfs/dbraw/zinc/11/11/81/170111181.db2.gz QLYJPRFYSBZPEG-UHFFFAOYSA-N 1 0 234.387 3.067 10 0 BGAERO Cc1ccccc1N(C)CC(C)(C)C[NH2+]C(C)C ZINC000051253450 179294561 /nfs/dbraw/zinc/29/45/61/179294561.db2.gz HMOMAQNBBNAIFQ-UHFFFAOYSA-N 1 0 248.414 3.455 10 0 BGAERO CC[NH2+]C[C@](C)(CC)CN(C)c1ccccc1C ZINC000051253473 170123516 /nfs/dbraw/zinc/12/35/16/170123516.db2.gz HSDGKGBEKSHXMH-INIZCTEOSA-N 1 0 248.414 3.457 10 0 BGAERO CC[NH2+]C[C@@](C)(CC)CN(C)c1ccccc1C ZINC000051253474 170121005 /nfs/dbraw/zinc/12/10/05/170121005.db2.gz HSDGKGBEKSHXMH-MRXNPFEDSA-N 1 0 248.414 3.457 10 0 BGAERO CCC(CC)(C[NH3+])CN(C)c1ccccc1F ZINC000051253554 168322404 /nfs/dbraw/zinc/32/24/04/168322404.db2.gz ILEFRWVBOZOPFF-UHFFFAOYSA-N 1 0 238.350 3.027 10 0 BGAERO CCc1ccc(N(C)C[C@@](C)(CC)C[NH3+])cc1 ZINC000051253641 171815657 /nfs/dbraw/zinc/81/56/57/171815657.db2.gz UIUHFAFMHDEUEV-HNNXBMFYSA-N 1 0 234.387 3.060 10 0 BGAERO CC[NH2+]CC(C)(C)CN(C)c1ccc(CC)cc1 ZINC000051253656 170110574 /nfs/dbraw/zinc/11/05/74/170110574.db2.gz XWMQCPDIGXVVMZ-UHFFFAOYSA-N 1 0 248.414 3.321 10 0 BGAERO CC[C@H](C)[N@H+](CC)C[C@@](C)(CO)c1ccccc1 ZINC000051292950 171312624 /nfs/dbraw/zinc/31/26/24/171312624.db2.gz JTQFDRHTFZCGJR-HOCLYGCPSA-N 1 0 249.398 3.057 10 0 BGAERO CCC(CC)[N@H+](C)C[C@@](C)(CO)c1ccccc1 ZINC000051293374 168369535 /nfs/dbraw/zinc/36/95/35/168369535.db2.gz CIXZUYOCXLILBL-INIZCTEOSA-N 1 0 249.398 3.057 10 0 BGAERO CCC(CC)[N@H+](C)C[C@](C)(CO)c1ccccc1 ZINC000051293376 168368565 /nfs/dbraw/zinc/36/85/65/168368565.db2.gz CIXZUYOCXLILBL-MRXNPFEDSA-N 1 0 249.398 3.057 10 0 BGAERO CC[C@@](C)(CO)C[NH+]1CCC(C(C)(C)C)CC1 ZINC000051293896 171166631 /nfs/dbraw/zinc/16/66/31/171166631.db2.gz RGCCXHWBFYDTAX-OAHLLOKOSA-N 1 0 241.419 3.153 10 0 BGAERO CCC[C@@](C)(CO)C[NH+](CC(C)C)CC(C)C ZINC000051294028 169448250 /nfs/dbraw/zinc/44/82/50/169448250.db2.gz COLZDARMBKUQBV-OAHLLOKOSA-N 1 0 243.435 3.399 10 0 BGAERO CCC(CC)(CO)C[N@H+](C)[C@@H]1CCC[C@H](C)C1 ZINC000051294302 168326359 /nfs/dbraw/zinc/32/63/59/168326359.db2.gz QZXMAZBIGSRLBP-UONOGXRCSA-N 1 0 241.419 3.296 10 0 BGAERO CCC(CC)(CO)C[N@H+](C)[C@H]1CCC[C@H](C)C1 ZINC000051294303 168327120 /nfs/dbraw/zinc/32/71/20/168327120.db2.gz QZXMAZBIGSRLBP-KBPBESRZSA-N 1 0 241.419 3.296 10 0 BGAERO C[C@@H]1CCC[C@H]([N@H+](C)CC2(CO)CCCC2)C1 ZINC000051294320 176140295 /nfs/dbraw/zinc/14/02/95/176140295.db2.gz MRCHTAMDPMXBFF-KGLIPLIRSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@H]1CCC[C@H]([N@H+](C)CC2(CO)CCCC2)C1 ZINC000051294321 177134019 /nfs/dbraw/zinc/13/40/19/177134019.db2.gz MRCHTAMDPMXBFF-KBPBESRZSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@@H]1CCC[C@@H]([N@H+](C)CC2(CO)CCCC2)C1 ZINC000051294322 176120742 /nfs/dbraw/zinc/12/07/42/176120742.db2.gz MRCHTAMDPMXBFF-ZIAGYGMSSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@H]1CCC[C@@H]([N@H+](C)CC2(CO)CCCC2)C1 ZINC000051294323 177120707 /nfs/dbraw/zinc/12/07/07/177120707.db2.gz MRCHTAMDPMXBFF-UONOGXRCSA-N 1 0 239.403 3.050 10 0 BGAERO CCC(CC)(CO)C[N@H+](C)C1CCC(C)CC1 ZINC000051295658 168326726 /nfs/dbraw/zinc/32/67/26/168326726.db2.gz NOXVEAJRIIEVKL-UHFFFAOYSA-N 1 0 241.419 3.296 10 0 BGAERO CC1CCC([N@H+](C)CC2(CO)CCCC2)CC1 ZINC000051295676 168158074 /nfs/dbraw/zinc/15/80/74/168158074.db2.gz UGORDJOITHPJGW-UHFFFAOYSA-N 1 0 239.403 3.050 10 0 BGAERO CCC[C@@H](C)CN(CCC[NH3+])c1ccccc1 ZINC000051297677 169358386 /nfs/dbraw/zinc/35/83/86/169358386.db2.gz CHHSABFCZBLEBW-CQSZACIVSA-N 1 0 234.387 3.278 10 0 BGAERO CCC[NH2+]Cc1cccnc1N(CCC)CCC ZINC000051400318 169268470 /nfs/dbraw/zinc/26/84/70/169268470.db2.gz ZHSCKICFWXUSLQ-UHFFFAOYSA-N 1 0 249.402 3.208 10 0 BGAERO CCC[NH2+]Cc1ccnc(N(CCC)CCC)c1 ZINC000051400336 169267873 /nfs/dbraw/zinc/26/78/73/169267873.db2.gz CRXGRBYXHPUJMT-UHFFFAOYSA-N 1 0 249.402 3.208 10 0 BGAERO CCC[NH2+]Cc1cc(N(CCC)CCC)ccn1 ZINC000051400350 169265299 /nfs/dbraw/zinc/26/52/99/169265299.db2.gz KRLAGCAHDRMLKY-UHFFFAOYSA-N 1 0 249.402 3.208 10 0 BGAERO CCC[NH2+]Cc1ccc(N(CCC)CCC)nc1 ZINC000051400362 169266365 /nfs/dbraw/zinc/26/63/65/169266365.db2.gz SKMOZQHKFCQPNB-UHFFFAOYSA-N 1 0 249.402 3.208 10 0 BGAERO CCC[NH2+]Cc1c(C)cc(C)nc1N(C)C(C)C ZINC000051434661 169265578 /nfs/dbraw/zinc/26/55/78/169265578.db2.gz JKMSXSHHSIRGGE-UHFFFAOYSA-N 1 0 249.402 3.043 10 0 BGAERO CC[C@H](C)N(C)c1cc(C[NH2+]CC(C)C)ccn1 ZINC000051438455 171310113 /nfs/dbraw/zinc/31/01/13/171310113.db2.gz CHJDROXKYMXGLL-ZDUSSCGKSA-N 1 0 249.402 3.062 10 0 BGAERO CC[C@H](C)N(C)c1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000051438642 171309396 /nfs/dbraw/zinc/30/93/96/171309396.db2.gz IBNBXWQONNLLCK-LBPRGKRZSA-N 1 0 249.402 3.204 10 0 BGAERO CCCN(C)c1nc(C)cc(C)c1C[NH2+]C(C)C ZINC000051438928 169090577 /nfs/dbraw/zinc/09/05/77/169090577.db2.gz WRHYMIOKJJZZJF-UHFFFAOYSA-N 1 0 249.402 3.043 10 0 BGAERO CC[NH2+]Cc1c(C)cc(C)nc1N(CC)C(C)C ZINC000051439830 170124274 /nfs/dbraw/zinc/12/42/74/170124274.db2.gz MUEXIYRIOVGKNM-UHFFFAOYSA-N 1 0 249.402 3.043 10 0 BGAERO CCN(c1ccc(C[NH2+]CC(C)C)cn1)C(C)C ZINC000051439858 169941864 /nfs/dbraw/zinc/94/18/64/169941864.db2.gz SORCWENWWIHJND-UHFFFAOYSA-N 1 0 249.402 3.062 10 0 BGAERO CCCN(CC)c1cccc(C[NH2+]C(C)(C)C)n1 ZINC000051440311 169134087 /nfs/dbraw/zinc/13/40/87/169134087.db2.gz AFGZCJNDDVZEPC-UHFFFAOYSA-N 1 0 249.402 3.206 10 0 BGAERO CCCN(CC)c1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000051440394 169133848 /nfs/dbraw/zinc/13/38/48/169133848.db2.gz NGTCLSKCZLSMTR-UHFFFAOYSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccnc(N(CC)CC(C)C)c1 ZINC000051440758 169267595 /nfs/dbraw/zinc/26/75/95/169267595.db2.gz BKMMNYJWRGQYKL-UHFFFAOYSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1cc(N(CC)CC(C)C)ccn1 ZINC000051440795 169265964 /nfs/dbraw/zinc/26/59/64/169265964.db2.gz XXWRIIFVIKYRCG-UHFFFAOYSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1ccc(N(CC)CC(C)C)nc1 ZINC000051440841 169266648 /nfs/dbraw/zinc/26/66/48/169266648.db2.gz FJOXUHXYJZOUBI-UHFFFAOYSA-N 1 0 249.402 3.064 10 0 BGAERO CCCN(c1cccc(C[NH2+]C(C)C)n1)C(C)C ZINC000051440912 169182294 /nfs/dbraw/zinc/18/22/94/169182294.db2.gz FULQQMDZRPFARF-UHFFFAOYSA-N 1 0 249.402 3.204 10 0 BGAERO CCCN(c1ncccc1C[NH2+]C(C)C)C(C)C ZINC000051440921 169183539 /nfs/dbraw/zinc/18/35/39/169183539.db2.gz OCGUFZLBNRBBFE-UHFFFAOYSA-N 1 0 249.402 3.204 10 0 BGAERO CCCN(c1cc(C[NH2+]C(C)C)ccn1)C(C)C ZINC000051440967 169182494 /nfs/dbraw/zinc/18/24/94/169182494.db2.gz QFZLPUFJEKLCRE-UHFFFAOYSA-N 1 0 249.402 3.204 10 0 BGAERO CCCN(c1ccnc(C[NH2+]C(C)C)c1)C(C)C ZINC000051441002 169182334 /nfs/dbraw/zinc/18/23/34/169182334.db2.gz JQIPGTUCTZJMNI-UHFFFAOYSA-N 1 0 249.402 3.204 10 0 BGAERO CCCN(c1nc(C)cc(C)c1C[NH2+]C)C(C)C ZINC000051441013 169183881 /nfs/dbraw/zinc/18/38/81/169183881.db2.gz UUGHJSOEGDBCQW-UHFFFAOYSA-N 1 0 249.402 3.043 10 0 BGAERO CCCN(c1ccc(C[NH2+]C(C)C)cn1)C(C)C ZINC000051441033 169182783 /nfs/dbraw/zinc/18/27/83/169182783.db2.gz HZOQSRLONYGTGT-UHFFFAOYSA-N 1 0 249.402 3.204 10 0 BGAERO CCC[NH2+]Cc1ccnc(N(CC)[C@@H](C)CC)c1 ZINC000051441203 169268527 /nfs/dbraw/zinc/26/85/27/169268527.db2.gz JDLDVPQHRXHRLP-ZDUSSCGKSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccnc(N(CC)[C@H](C)CC)c1 ZINC000051441204 169268117 /nfs/dbraw/zinc/26/81/17/169268117.db2.gz JDLDVPQHRXHRLP-CYBMUJFWSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1cc(N(CC)[C@@H](C)CC)ccn1 ZINC000051441268 169265263 /nfs/dbraw/zinc/26/52/63/169265263.db2.gz DCCJDNWZTREYNI-ZDUSSCGKSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1cc(N(CC)[C@H](C)CC)ccn1 ZINC000051441271 169266064 /nfs/dbraw/zinc/26/60/64/169266064.db2.gz DCCJDNWZTREYNI-CYBMUJFWSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccc(N(CC)[C@@H](C)CC)nc1 ZINC000051441325 169266478 /nfs/dbraw/zinc/26/64/78/169266478.db2.gz MQJKYBKBEZRYRG-ZDUSSCGKSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccc(N(CC)[C@H](C)CC)nc1 ZINC000051441328 169266636 /nfs/dbraw/zinc/26/66/36/169266636.db2.gz MQJKYBKBEZRYRG-CYBMUJFWSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccnc(N(C)C[C@@H](C)CC)c1 ZINC000051442488 169267779 /nfs/dbraw/zinc/26/77/79/169267779.db2.gz FFTJXXRABCGLLC-ZDUSSCGKSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1ccnc(N(C)C[C@H](C)CC)c1 ZINC000051442490 169268137 /nfs/dbraw/zinc/26/81/37/169268137.db2.gz FFTJXXRABCGLLC-CYBMUJFWSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1cc(N(C)C[C@@H](C)CC)ccn1 ZINC000051442561 169265710 /nfs/dbraw/zinc/26/57/10/169265710.db2.gz DFQQRTKICHGQKT-ZDUSSCGKSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1cc(N(C)C[C@H](C)CC)ccn1 ZINC000051442563 169265231 /nfs/dbraw/zinc/26/52/31/169265231.db2.gz DFQQRTKICHGQKT-CYBMUJFWSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1ccc(N(C)C[C@@H](C)CC)nc1 ZINC000051442631 169266301 /nfs/dbraw/zinc/26/63/01/169266301.db2.gz DAAAANVMZNMGCR-ZDUSSCGKSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1ccc(N(C)C[C@H](C)CC)nc1 ZINC000051442633 169266632 /nfs/dbraw/zinc/26/66/32/169266632.db2.gz DAAAANVMZNMGCR-CYBMUJFWSA-N 1 0 249.402 3.064 10 0 BGAERO CC(C)[NH2+]Cc1ccnc(N(C)[C@H](C)C(C)C)c1 ZINC000051445093 167122062 /nfs/dbraw/zinc/12/20/62/167122062.db2.gz OSFYGSKGJVCFBR-CYBMUJFWSA-N 1 0 249.402 3.060 10 0 BGAERO CC(C)[NH2+]Cc1ccnc(N(C)[C@@H](C)C(C)C)c1 ZINC000051445095 167121385 /nfs/dbraw/zinc/12/13/85/167121385.db2.gz OSFYGSKGJVCFBR-ZDUSSCGKSA-N 1 0 249.402 3.060 10 0 BGAERO CC(C)[NH2+]Cc1cc(N(C)[C@H](C)C(C)C)ccn1 ZINC000051445144 167117318 /nfs/dbraw/zinc/11/73/18/167117318.db2.gz DVBQMFJSLKGCQN-CYBMUJFWSA-N 1 0 249.402 3.060 10 0 BGAERO CC(C)[NH2+]Cc1cc(N(C)[C@@H](C)C(C)C)ccn1 ZINC000051445146 167116665 /nfs/dbraw/zinc/11/66/65/167116665.db2.gz DVBQMFJSLKGCQN-ZDUSSCGKSA-N 1 0 249.402 3.060 10 0 BGAERO CC(C)[NH2+]Cc1ccc(N(C)[C@H](C)C(C)C)nc1 ZINC000051445193 167119085 /nfs/dbraw/zinc/11/90/85/167119085.db2.gz LOPUIWOGJPDVPO-CYBMUJFWSA-N 1 0 249.402 3.060 10 0 BGAERO CC(C)[NH2+]Cc1ccc(N(C)[C@@H](C)C(C)C)nc1 ZINC000051445195 167119857 /nfs/dbraw/zinc/11/98/57/167119857.db2.gz LOPUIWOGJPDVPO-ZDUSSCGKSA-N 1 0 249.402 3.060 10 0 BGAERO CCC[NH2+]Cc1cccc(N(C)[C@H](C)CCC)n1 ZINC000051446290 169268096 /nfs/dbraw/zinc/26/80/96/169268096.db2.gz QARKPFLKASDEGX-CYBMUJFWSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1cccc(N(C)[C@@H](C)CCC)n1 ZINC000051446291 169268127 /nfs/dbraw/zinc/26/81/27/169268127.db2.gz QARKPFLKASDEGX-ZDUSSCGKSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccnc(N(C)[C@H](C)CCC)c1 ZINC000051446370 169268397 /nfs/dbraw/zinc/26/83/97/169268397.db2.gz GAUKPBFLSYEDNB-CYBMUJFWSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccnc(N(C)[C@@H](C)CCC)c1 ZINC000051446372 169268023 /nfs/dbraw/zinc/26/80/23/169268023.db2.gz GAUKPBFLSYEDNB-ZDUSSCGKSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1cc(N(C)[C@H](C)CCC)ccn1 ZINC000051446423 169266026 /nfs/dbraw/zinc/26/60/26/169266026.db2.gz FALZJPMCLDTRNJ-CYBMUJFWSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1cc(N(C)[C@@H](C)CCC)ccn1 ZINC000051446424 169265802 /nfs/dbraw/zinc/26/58/02/169265802.db2.gz FALZJPMCLDTRNJ-ZDUSSCGKSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccc(N(C)[C@H](C)CCC)nc1 ZINC000051446470 169266605 /nfs/dbraw/zinc/26/66/05/169266605.db2.gz CIXHQWXDRRRSGI-CYBMUJFWSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1ccc(N(C)[C@@H](C)CCC)nc1 ZINC000051446472 169266858 /nfs/dbraw/zinc/26/68/58/169266858.db2.gz CIXHQWXDRRRSGI-ZDUSSCGKSA-N 1 0 249.402 3.206 10 0 BGAERO CCC[NH2+]Cc1cc(N(C)CCC(C)C)ccn1 ZINC000051492516 169265219 /nfs/dbraw/zinc/26/52/19/169265219.db2.gz WNAUWFJHQNKELJ-UHFFFAOYSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1cccc(N(C)CC(C)(C)C)n1 ZINC000051518094 169267927 /nfs/dbraw/zinc/26/79/27/169267927.db2.gz QMKJBVLYVQBDGW-UHFFFAOYSA-N 1 0 249.402 3.064 10 0 BGAERO CCC[NH2+]Cc1cccnc1N(C)CC(C)(C)C ZINC000051518104 169268298 /nfs/dbraw/zinc/26/82/98/169268298.db2.gz YWIFPBDLLJVWLB-UHFFFAOYSA-N 1 0 249.402 3.064 10 0 BGAERO CC[NH2+]Cc1ccc(N(C)[C@@H](C)CC(C)C)nc1 ZINC000051519173 170126499 /nfs/dbraw/zinc/12/64/99/170126499.db2.gz OKMVVNWNGMVFPP-ZDUSSCGKSA-N 1 0 249.402 3.062 10 0 BGAERO CC[NH2+]Cc1ccc(N(C)[C@H](C)CC(C)C)nc1 ZINC000051519175 170126392 /nfs/dbraw/zinc/12/63/92/170126392.db2.gz OKMVVNWNGMVFPP-CYBMUJFWSA-N 1 0 249.402 3.062 10 0 BGAERO CC[NH2+]Cc1ccnc(N(CC(C)C)C(C)C)c1 ZINC000051519405 170129049 /nfs/dbraw/zinc/12/90/49/170129049.db2.gz NYKNVBXOHKATSM-UHFFFAOYSA-N 1 0 249.402 3.062 10 0 BGAERO C/C=C/c1ccccc1Oc1ncccc1C[NH3+] ZINC000051522517 187436666 /nfs/dbraw/zinc/43/66/66/187436666.db2.gz KJXOXMWVNCPYMA-QHHAFSJGSA-N 1 0 240.306 3.366 10 0 BGAERO CC(C)[NH2+]Cc1cccc(OC2CCCCC2)n1 ZINC000051522960 167119952 /nfs/dbraw/zinc/11/99/52/167119952.db2.gz QWXOORGCCZWOKN-UHFFFAOYSA-N 1 0 248.370 3.291 10 0 BGAERO COc1nc(C[NH2+]C(C)(C)C)cc2ccccc21 ZINC000051523678 175391843 /nfs/dbraw/zinc/39/18/43/175391843.db2.gz AHRGMILLTDKXSX-UHFFFAOYSA-N 1 0 244.338 3.132 10 0 BGAERO CCC[NH2+]Cc1cc(OCC)nc2ccccc12 ZINC000051523831 169266468 /nfs/dbraw/zinc/26/64/68/169266468.db2.gz QYJGUDFTYKAMPO-UHFFFAOYSA-N 1 0 244.338 3.133 10 0 BGAERO CC[NH2+]Cc1cccc(O[C@@H](C)CC(C)C)n1 ZINC000051523901 170128334 /nfs/dbraw/zinc/12/83/34/170128334.db2.gz HENPLWGSKYRHFV-LBPRGKRZSA-N 1 0 236.359 3.005 10 0 BGAERO CC[NH2+]Cc1cccc(O[C@H](C)CC(C)C)n1 ZINC000051523902 170128714 /nfs/dbraw/zinc/12/87/14/170128714.db2.gz HENPLWGSKYRHFV-GFCCVEGCSA-N 1 0 236.359 3.005 10 0 BGAERO CC[NH2+]Cc1cccnc1O[C@@H]1CCCC[C@@H]1C ZINC000051524828 170129061 /nfs/dbraw/zinc/12/90/61/170129061.db2.gz SZAINBSLWHIBTJ-GXTWGEPZSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1cccnc1O[C@H]1CCCC[C@@H]1C ZINC000051524830 170129590 /nfs/dbraw/zinc/12/95/90/170129590.db2.gz SZAINBSLWHIBTJ-JSGCOSHPSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1cccnc1O[C@@H]1CCCC[C@H]1C ZINC000051524832 170129308 /nfs/dbraw/zinc/12/93/08/170129308.db2.gz SZAINBSLWHIBTJ-TZMCWYRMSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1cccnc1O[C@H]1CCCC[C@H]1C ZINC000051524833 170129325 /nfs/dbraw/zinc/12/93/25/170129325.db2.gz SZAINBSLWHIBTJ-OCCSQVGLSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1cc(O[C@@H]2CCCC[C@@H]2C)ccn1 ZINC000051525013 170125680 /nfs/dbraw/zinc/12/56/80/170125680.db2.gz HWAVKNYRALGZLS-SWLSCSKDSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1cc(O[C@H]2CCCC[C@@H]2C)ccn1 ZINC000051525015 170125295 /nfs/dbraw/zinc/12/52/95/170125295.db2.gz HWAVKNYRALGZLS-WFASDCNBSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1cc(O[C@@H]2CCCC[C@H]2C)ccn1 ZINC000051525017 170125230 /nfs/dbraw/zinc/12/52/30/170125230.db2.gz HWAVKNYRALGZLS-IUODEOHRSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1cc(O[C@H]2CCCC[C@H]2C)ccn1 ZINC000051525018 170125423 /nfs/dbraw/zinc/12/54/23/170125423.db2.gz HWAVKNYRALGZLS-DOMZBBRYSA-N 1 0 248.370 3.149 10 0 BGAERO CCC[NH2+]Cc1cccnc1OCCC(C)C ZINC000051526183 169267879 /nfs/dbraw/zinc/26/78/79/169267879.db2.gz RJJJPQVCOYCSJM-UHFFFAOYSA-N 1 0 236.359 3.006 10 0 BGAERO CCC[NH2+]Cc1ccnc(OCCC(C)C)c1 ZINC000051526202 169268139 /nfs/dbraw/zinc/26/81/39/169268139.db2.gz BVEWEFNVDRCEHM-UHFFFAOYSA-N 1 0 236.359 3.006 10 0 BGAERO CCC[NH2+]Cc1ccc(OCCC(C)C)nc1 ZINC000051526231 169268467 /nfs/dbraw/zinc/26/84/67/169268467.db2.gz JJQQTSPLBJUXOW-UHFFFAOYSA-N 1 0 236.359 3.006 10 0 BGAERO CC[NH2+]Cc1cc(OC(C)C)nc2ccccc12 ZINC000051526548 170125076 /nfs/dbraw/zinc/12/50/76/170125076.db2.gz SYABPOQWOWKQEE-UHFFFAOYSA-N 1 0 244.338 3.132 10 0 BGAERO C[C@@H]1C[C@H](Oc2ccnc(C[NH3+])c2)CC(C)(C)C1 ZINC000051527046 176429705 /nfs/dbraw/zinc/42/97/05/176429705.db2.gz ZAXLDTVXSPIDTA-RISCZKNCSA-N 1 0 248.370 3.134 10 0 BGAERO C[C@H]1C[C@H](Oc2ccnc(C[NH3+])c2)CC(C)(C)C1 ZINC000051527047 177374911 /nfs/dbraw/zinc/37/49/11/177374911.db2.gz ZAXLDTVXSPIDTA-FZMZJTMJSA-N 1 0 248.370 3.134 10 0 BGAERO C[C@@H]1C[C@@H](Oc2ccnc(C[NH3+])c2)CC(C)(C)C1 ZINC000051527048 176383648 /nfs/dbraw/zinc/38/36/48/176383648.db2.gz ZAXLDTVXSPIDTA-BXUZGUMPSA-N 1 0 248.370 3.134 10 0 BGAERO C[C@H]1C[C@@H](Oc2ccnc(C[NH3+])c2)CC(C)(C)C1 ZINC000051527049 177337898 /nfs/dbraw/zinc/33/78/98/177337898.db2.gz ZAXLDTVXSPIDTA-SMDDNHRTSA-N 1 0 248.370 3.134 10 0 BGAERO CC(C)C[NH2+]Cc1ccnc(OC(C)(C)C)c1 ZINC000051527168 167010805 /nfs/dbraw/zinc/01/08/05/167010805.db2.gz BZAIMWBPJQTEJO-UHFFFAOYSA-N 1 0 236.359 3.005 10 0 BGAERO CCC[NH2+]Cc1cccc(OC(C)(C)CC)n1 ZINC000051541692 169267985 /nfs/dbraw/zinc/26/79/85/169267985.db2.gz ILORJJNPHUKTFV-UHFFFAOYSA-N 1 0 236.359 3.149 10 0 BGAERO CCC[NH2+]Cc1cccnc1OC(C)(C)CC ZINC000051541713 169268214 /nfs/dbraw/zinc/26/82/14/169268214.db2.gz ZYCWKDTYQFBKON-UHFFFAOYSA-N 1 0 236.359 3.149 10 0 BGAERO CCC(C)(C)Oc1cc(C[NH2+]C(C)C)ccn1 ZINC000051541744 168304731 /nfs/dbraw/zinc/30/47/31/168304731.db2.gz ORBPHQYHGIIIJE-UHFFFAOYSA-N 1 0 236.359 3.147 10 0 BGAERO CCC[NH2+]Cc1ccc(OC(C)(C)CC)nc1 ZINC000051541793 169267005 /nfs/dbraw/zinc/26/70/05/169267005.db2.gz HOGMOPUPRITZHV-UHFFFAOYSA-N 1 0 236.359 3.149 10 0 BGAERO CC[NH2+]Cc1ccc(O[C@@H]2CCC[C@H](C)C2)nc1 ZINC000051542535 170127469 /nfs/dbraw/zinc/12/74/69/170127469.db2.gz MMRDDDNZJKZICY-GXTWGEPZSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1ccc(O[C@H]2CCC[C@H](C)C2)nc1 ZINC000051542537 170127371 /nfs/dbraw/zinc/12/73/71/170127371.db2.gz MMRDDDNZJKZICY-JSGCOSHPSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1ccc(O[C@@H]2CCC[C@@H](C)C2)nc1 ZINC000051542539 170127405 /nfs/dbraw/zinc/12/74/05/170127405.db2.gz MMRDDDNZJKZICY-TZMCWYRMSA-N 1 0 248.370 3.149 10 0 BGAERO CC[NH2+]Cc1ccc(O[C@H]2CCC[C@@H](C)C2)nc1 ZINC000051542540 170127835 /nfs/dbraw/zinc/12/78/35/170127835.db2.gz MMRDDDNZJKZICY-OCCSQVGLSA-N 1 0 248.370 3.149 10 0 BGAERO CCCOc1nc(C[NH2+]CC)cc2ccccc21 ZINC000051543747 169328380 /nfs/dbraw/zinc/32/83/80/169328380.db2.gz IRTLNASDFBBAFX-UHFFFAOYSA-N 1 0 244.338 3.133 10 0 BGAERO CCCCOc1cc(C[NH2+]CC(C)C)ccn1 ZINC000051543908 168915264 /nfs/dbraw/zinc/91/52/64/168915264.db2.gz YIFOYZYSVYRPSZ-UHFFFAOYSA-N 1 0 236.359 3.006 10 0 BGAERO Cc1cc(Oc2ccnc(C[NH3+])c2)ccc1Cl ZINC000051544843 178215808 /nfs/dbraw/zinc/21/58/08/178215808.db2.gz YHBZQEXPWRNXJU-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO CC[NH2+]Cc1ccnc(Oc2ccc(C)cc2)c1 ZINC000051545283 170129562 /nfs/dbraw/zinc/12/95/62/170129562.db2.gz RDAAFHVJXIBBSP-UHFFFAOYSA-N 1 0 242.322 3.292 10 0 BGAERO C[NH2+]Cc1ccnc(Oc2ccc(C)cc2C)c1 ZINC000051546117 173391900 /nfs/dbraw/zinc/39/19/00/173391900.db2.gz SRIWYSHTNYIZJB-UHFFFAOYSA-N 1 0 242.322 3.210 10 0 BGAERO C[NH2+]Cc1cc(Oc2cccc(C)c2C)ccn1 ZINC000051546513 173387156 /nfs/dbraw/zinc/38/71/56/173387156.db2.gz YABINBZRHFQPKG-UHFFFAOYSA-N 1 0 242.322 3.210 10 0 BGAERO CC[NH2+]Cc1cc(Oc2ccccc2F)ccn1 ZINC000051546997 170125923 /nfs/dbraw/zinc/12/59/23/170125923.db2.gz QRNQPDWCTRMLCJ-UHFFFAOYSA-N 1 0 246.285 3.123 10 0 BGAERO C[NH2+]Cc1cccc(Oc2ccccc2Cl)n1 ZINC000051547198 173389644 /nfs/dbraw/zinc/38/96/44/173389644.db2.gz UGMZAPLVWWWOCW-UHFFFAOYSA-N 1 0 248.713 3.247 10 0 BGAERO C[NH2+]Cc1ccnc(Oc2ccccc2Cl)c1 ZINC000051547252 173390976 /nfs/dbraw/zinc/39/09/76/173390976.db2.gz DFTUXFKVVWANAS-UHFFFAOYSA-N 1 0 248.713 3.247 10 0 BGAERO C[NH2+]Cc1cc(Oc2ccc(Cl)cc2)ccn1 ZINC000051547422 173387455 /nfs/dbraw/zinc/38/74/55/173387455.db2.gz FEHXHMZVUKZMQC-UHFFFAOYSA-N 1 0 248.713 3.247 10 0 BGAERO C[NH2+]Cc1cccc(Oc2cc(C)ccc2C)n1 ZINC000051547520 173389761 /nfs/dbraw/zinc/38/97/61/173389761.db2.gz SJVMAIUSBYNOEP-UHFFFAOYSA-N 1 0 242.322 3.210 10 0 BGAERO C[NH2+]Cc1cccc(Oc2ccc(C)c(C)c2)n1 ZINC000051547640 173389924 /nfs/dbraw/zinc/38/99/24/173389924.db2.gz ZITVHMMSVAXQPB-UHFFFAOYSA-N 1 0 242.322 3.210 10 0 BGAERO C[NH2+]Cc1cccc(Oc2cc(C)cc(C)c2)n1 ZINC000051547754 173389592 /nfs/dbraw/zinc/38/95/92/173389592.db2.gz PLEKDIZUORQOAG-UHFFFAOYSA-N 1 0 242.322 3.210 10 0 BGAERO CC[NH2+]Cc1cccnc1Oc1cccc(C)c1 ZINC000051547881 170129364 /nfs/dbraw/zinc/12/93/64/170129364.db2.gz MWPHRQRJEVLFTK-UHFFFAOYSA-N 1 0 242.322 3.292 10 0 BGAERO CC[NH2+]Cc1ccc(Oc2cccc(C)c2)nc1 ZINC000051547954 170127349 /nfs/dbraw/zinc/12/73/49/170127349.db2.gz DBNIFBALVYAGHS-UHFFFAOYSA-N 1 0 242.322 3.292 10 0 BGAERO CC[NH2+]Cc1cccc(Oc2ccccc2C)n1 ZINC000051547988 170128608 /nfs/dbraw/zinc/12/86/08/170128608.db2.gz WARQEROYEVYGSC-UHFFFAOYSA-N 1 0 242.322 3.292 10 0 BGAERO Cc1ccccc1Oc1ccc(Cl)c(C[NH3+])n1 ZINC000051547996 179314355 /nfs/dbraw/zinc/31/43/55/179314355.db2.gz LOIRKBLRXYYVRY-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO CC[NH2+]Cc1cc(Oc2ccc(F)cc2)ccn1 ZINC000051548189 170125354 /nfs/dbraw/zinc/12/53/54/170125354.db2.gz XRQRUKTWZLKORG-UHFFFAOYSA-N 1 0 246.285 3.123 10 0 BGAERO CC(C)[NH2+]Cc1cccc(Oc2ccccc2)n1 ZINC000051548249 167118437 /nfs/dbraw/zinc/11/84/37/167118437.db2.gz FTOXMIAITXWGRA-UHFFFAOYSA-N 1 0 242.322 3.372 10 0 BGAERO CCC[NH2+]Cc1ccc(Oc2ccccc2)nc1 ZINC000051548340 169267866 /nfs/dbraw/zinc/26/78/66/169267866.db2.gz OUNTXCRYMKASJM-UHFFFAOYSA-N 1 0 242.322 3.374 10 0 BGAERO CC[C@H](C)Oc1nc(C[NH2+]C)cc2ccccc21 ZINC000051548496 171356921 /nfs/dbraw/zinc/35/69/21/171356921.db2.gz YDDOVRJSMIESKY-NSHDSACASA-N 1 0 244.338 3.132 10 0 BGAERO CC[C@H](C)Oc1ccnc(C[NH2+]C(C)(C)C)c1 ZINC000051548566 171356779 /nfs/dbraw/zinc/35/67/79/171356779.db2.gz PEORMUSBBAIOJC-NSHDSACASA-N 1 0 236.359 3.147 10 0 BGAERO CC[C@H](C)Oc1ccc(C[NH2+]C(C)(C)C)cn1 ZINC000051548610 171356562 /nfs/dbraw/zinc/35/65/62/171356562.db2.gz HUGQTIOQSKBREN-NSHDSACASA-N 1 0 236.359 3.147 10 0 BGAERO CC[NH2+]Cc1cc(Oc2cccc(F)c2)ccn1 ZINC000051549803 170125034 /nfs/dbraw/zinc/12/50/34/170125034.db2.gz GCHKPWSWDGCRKS-UHFFFAOYSA-N 1 0 246.285 3.123 10 0 BGAERO Cc1cc(Cl)ccc1Oc1cccc(C[NH3+])n1 ZINC000051549978 178070367 /nfs/dbraw/zinc/07/03/67/178070367.db2.gz ZADVZILJWVQUGR-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO Cc1cc(Cl)ccc1Oc1ccnc(C[NH3+])c1 ZINC000051549984 178070315 /nfs/dbraw/zinc/07/03/15/178070315.db2.gz MWEYBCXWSZABEX-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO Cc1cccc(C[NH2+]C2[C@H](C)CCC[C@@H]2C)n1 ZINC000051573738 179090355 /nfs/dbraw/zinc/09/03/55/179090355.db2.gz MFMBHEZZGIYVLS-ODOQXGPZSA-N 1 0 232.371 3.304 10 0 BGAERO CCN(Cc1ccco1)c1cc(C)ccc1C[NH3+] ZINC000051579278 169921893 /nfs/dbraw/zinc/92/18/93/169921893.db2.gz PQYZJTQRIIHFMO-UHFFFAOYSA-N 1 0 244.338 3.073 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(N(C)[C@@H](C)CC(C)C)c1 ZINC000051579599 178369374 /nfs/dbraw/zinc/36/93/74/178369374.db2.gz YWKXVKAIEBKEPP-LBPRGKRZSA-N 1 0 247.386 3.150 10 0 BGAERO CCCC1CCN(c2cc(C)ccc2C[NH3+])CC1 ZINC000051580139 132361647 /nfs/dbraw/zinc/36/16/47/132361647.db2.gz GOXHWBRLKNNAKI-UHFFFAOYSA-N 1 0 246.398 3.470 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(Oc2ccccc2C)c1 ZINC000051580370 178368929 /nfs/dbraw/zinc/36/89/29/178368929.db2.gz ODBVJJWMSJTJDE-UHFFFAOYSA-N 1 0 240.306 3.380 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(Oc2ccccc2)c1 ZINC000051580384 178369050 /nfs/dbraw/zinc/36/90/50/178369050.db2.gz UNXQHYVLSPQCSI-UHFFFAOYSA-N 1 0 226.279 3.071 10 0 BGAERO COc1ccc(Oc2cc(C)ccc2C[NH3+])cc1 ZINC000051580542 175174150 /nfs/dbraw/zinc/17/41/50/175174150.db2.gz BTANJHDQHPVWGR-UHFFFAOYSA-N 1 0 243.306 3.255 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(OCCCC(C)C)c1 ZINC000051581008 178369494 /nfs/dbraw/zinc/36/94/94/178369494.db2.gz NICTZWLEBARNHK-UHFFFAOYSA-N 1 0 234.343 3.094 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(O[C@@H]2CCC[C@H](C)C2)c1 ZINC000051581045 178368453 /nfs/dbraw/zinc/36/84/53/178368453.db2.gz WATJFLQNNWAQAS-CMPLNLGQSA-N 1 0 246.354 3.237 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(O[C@H]2CCC[C@H](C)C2)c1 ZINC000051581046 178368324 /nfs/dbraw/zinc/36/83/24/178368324.db2.gz WATJFLQNNWAQAS-JQWIXIFHSA-N 1 0 246.354 3.237 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(OC2CCCCCC2)c1 ZINC000051581302 178368409 /nfs/dbraw/zinc/36/84/09/178368409.db2.gz SDOGSRCAURHVTD-UHFFFAOYSA-N 1 0 246.354 3.381 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(Sc2ccccc2)c1 ZINC000051581521 178368887 /nfs/dbraw/zinc/36/88/87/178368887.db2.gz JOQMKGBGPLGGBA-UHFFFAOYSA-N 1 0 242.347 3.430 10 0 BGAERO CCC[C@H]([NH3+])c1cc(C)ccc1OCC ZINC000051599034 169504276 /nfs/dbraw/zinc/50/42/76/169504276.db2.gz GYUJPIKFJTVQJV-LBPRGKRZSA-N 1 0 207.317 3.194 10 0 BGAERO CCC[C@@H]([NH3+])c1cc(C)ccc1OCC ZINC000051599037 169393002 /nfs/dbraw/zinc/39/30/02/169393002.db2.gz GYUJPIKFJTVQJV-GFCCVEGCSA-N 1 0 207.317 3.194 10 0 BGAERO CC[NH2+][C@@H](c1cc(C)ccc1OCC)C1CC1 ZINC000051599721 170147288 /nfs/dbraw/zinc/14/72/88/170147288.db2.gz AYUUQJCOTNGDSA-OAHLLOKOSA-N 1 0 233.355 3.454 10 0 BGAERO CC[NH2+][C@H](c1cc(C)ccc1OCC)C1CC1 ZINC000051599723 170163403 /nfs/dbraw/zinc/16/34/03/170163403.db2.gz AYUUQJCOTNGDSA-HNNXBMFYSA-N 1 0 233.355 3.454 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000051627563 387800326 /nfs/dbraw/zinc/80/03/26/387800326.db2.gz ISHVJFVNKYSCBA-XHSDSOJGSA-N 1 0 247.382 3.421 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCCC[C@@H]1O)c1ccccc1 ZINC000051627566 387800143 /nfs/dbraw/zinc/80/01/43/387800143.db2.gz ISHVJFVNKYSCBA-JYJNAYRXSA-N 1 0 247.382 3.421 10 0 BGAERO CCC[NH2+][C@@H]1CCN([C@@H](CC)c2ccccc2)C1 ZINC000051628438 169282779 /nfs/dbraw/zinc/28/27/79/169282779.db2.gz XFTQHYNTUJTFPF-CVEARBPZSA-N 1 0 246.398 3.212 10 0 BGAERO CCC[NH2+][C@H]1CCN([C@@H](CC)c2ccccc2)C1 ZINC000051628440 169291352 /nfs/dbraw/zinc/29/13/52/169291352.db2.gz XFTQHYNTUJTFPF-HOTGVXAUSA-N 1 0 246.398 3.212 10 0 BGAERO Nc1cc[nH+]c(N[C@H]2CCCc3ccccc32)c1 ZINC000051631082 350003559 /nfs/dbraw/zinc/00/35/59/350003559.db2.gz HCMTTXANHUVDLX-AWEZNQCLSA-N 1 0 239.322 3.153 10 0 BGAERO Nc1cc[nH+]c(N[C@@H]2CCCc3ccccc32)c1 ZINC000051631083 350003338 /nfs/dbraw/zinc/00/33/38/350003338.db2.gz HCMTTXANHUVDLX-CQSZACIVSA-N 1 0 239.322 3.153 10 0 BGAERO Cc1cccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000051669484 179059599 /nfs/dbraw/zinc/05/95/99/179059599.db2.gz LONRCHBQVBHOKR-ARFHVFGLSA-N 1 0 229.367 3.316 10 0 BGAERO Cc1cccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H]2C3)c1 ZINC000051669486 179060681 /nfs/dbraw/zinc/06/06/81/179060681.db2.gz LONRCHBQVBHOKR-XHSDSOJGSA-N 1 0 229.367 3.316 10 0 BGAERO Cc1cccc(CCNc2cc[nH+]cc2)c1 ZINC000051670609 179061872 /nfs/dbraw/zinc/06/18/72/179061872.db2.gz WVQXANZBGRHJJU-UHFFFAOYSA-N 1 0 212.296 3.045 10 0 BGAERO CC[NH2+]Cc1cnc(C(CC)CC)s1 ZINC000051690562 170130755 /nfs/dbraw/zinc/13/07/55/170130755.db2.gz BJAQGQJGGODNIB-UHFFFAOYSA-N 1 0 212.362 3.156 10 0 BGAERO CC[C@H](C)c1nc2c(s1)[C@@H]([NH2+]C)CCC2 ZINC000051690581 171414260 /nfs/dbraw/zinc/41/42/60/171414260.db2.gz HKNFYZSFNPDFRY-IUCAKERBSA-N 1 0 224.373 3.253 10 0 BGAERO CC[NH2+]Cc1csc(C(CC)CC)n1 ZINC000051690628 170130776 /nfs/dbraw/zinc/13/07/76/170130776.db2.gz CQQUPBSZVXTFFC-UHFFFAOYSA-N 1 0 212.362 3.156 10 0 BGAERO CCC[NH2+][C@@H]1CCCc2nc([C@@H](C)CC)ncc21 ZINC000051690680 169282323 /nfs/dbraw/zinc/28/23/23/169282323.db2.gz NEFVPBAXJZTZCY-WCQYABFASA-N 1 0 247.386 3.367 10 0 BGAERO CCC[NH2+][C@H]1CCCc2nc([C@@H](C)CC)ncc21 ZINC000051690681 169292055 /nfs/dbraw/zinc/29/20/55/169292055.db2.gz NEFVPBAXJZTZCY-AAEUAGOBSA-N 1 0 247.386 3.367 10 0 BGAERO CCC[NH2+][C@@H]1CCCc2nc([C@H](C)CC)ncc21 ZINC000051690682 169282386 /nfs/dbraw/zinc/28/23/86/169282386.db2.gz NEFVPBAXJZTZCY-DGCLKSJQSA-N 1 0 247.386 3.367 10 0 BGAERO CCC[NH2+][C@H]1CCCc2nc([C@H](C)CC)ncc21 ZINC000051690683 169291827 /nfs/dbraw/zinc/29/18/27/169291827.db2.gz NEFVPBAXJZTZCY-YPMHNXCESA-N 1 0 247.386 3.367 10 0 BGAERO CC[NH2+]CCCNc1ccccc1C(F)(F)F ZINC000051692340 170112754 /nfs/dbraw/zinc/11/27/54/170112754.db2.gz YTNFHSXOWKQPII-UHFFFAOYSA-N 1 0 246.276 3.117 10 0 BGAERO C[NH2+][C@H](CCc1ccc(C(C)(C)C)cc1)COC ZINC000051695724 173452042 /nfs/dbraw/zinc/45/20/42/173452042.db2.gz PWGBOBVUCSWHJA-OAHLLOKOSA-N 1 0 249.398 3.151 10 0 BGAERO CC[NH2+][C@@H](CCc1ccc(C(C)C)cc1)COC ZINC000051695778 170145195 /nfs/dbraw/zinc/14/51/95/170145195.db2.gz QUMPJENOHYSJGJ-INIZCTEOSA-N 1 0 249.398 3.367 10 0 BGAERO CC[NH2+][C@H](CCc1ccc(C(C)C)cc1)COC ZINC000051695780 170162551 /nfs/dbraw/zinc/16/25/51/170162551.db2.gz QUMPJENOHYSJGJ-MRXNPFEDSA-N 1 0 249.398 3.367 10 0 BGAERO CC[NH2+][C@H](CCCCc1ccccc1)COC ZINC000051695933 170161785 /nfs/dbraw/zinc/16/17/85/170161785.db2.gz IQLXOVAYAISSPG-OAHLLOKOSA-N 1 0 235.371 3.024 10 0 BGAERO CCC[NH2+][C@@H](CCc1cc(C)ccc1C)COC ZINC000051696164 169279167 /nfs/dbraw/zinc/27/91/67/169279167.db2.gz NOXTZBDBSNJOHY-INIZCTEOSA-N 1 0 249.398 3.251 10 0 BGAERO CCC[NH2+][C@H](CCc1cc(C)ccc1C)COC ZINC000051696166 169289154 /nfs/dbraw/zinc/28/91/54/169289154.db2.gz NOXTZBDBSNJOHY-MRXNPFEDSA-N 1 0 249.398 3.251 10 0 BGAERO CCC[NH2+][C@H](CCCCc1ccccc1)COC ZINC000051696235 169289514 /nfs/dbraw/zinc/28/95/14/169289514.db2.gz OEUKAGXQKCVVNG-MRXNPFEDSA-N 1 0 249.398 3.414 10 0 BGAERO CCNc1cc(COC)[nH+]c2cc(C)cc(C)c12 ZINC000051698502 170172029 /nfs/dbraw/zinc/17/20/29/170172029.db2.gz TZQZCQCVBHCESM-UHFFFAOYSA-N 1 0 244.338 3.430 10 0 BGAERO CCc1ccc(C[NH2+][C@@H](CC)C(C)C)o1 ZINC000051724815 322851641 /nfs/dbraw/zinc/85/16/41/322851641.db2.gz LGPOIFPYUGVJTI-ZDUSSCGKSA-N 1 0 209.333 3.366 10 0 BGAERO CCc1ccc(C[NH2+][C@H](CC)C(C)C)o1 ZINC000051724818 384703137 /nfs/dbraw/zinc/70/31/37/384703137.db2.gz LGPOIFPYUGVJTI-CYBMUJFWSA-N 1 0 209.333 3.366 10 0 BGAERO CCc1ccc([C@H]([NH3+])C2CCCCC2)o1 ZINC000051726826 350071057 /nfs/dbraw/zinc/07/10/57/350071057.db2.gz YYJHOQKPGHXVJC-CYBMUJFWSA-N 1 0 207.317 3.422 10 0 BGAERO CCc1ccc([C@@H]([NH3+])C2CCCCC2)o1 ZINC000051726828 350070823 /nfs/dbraw/zinc/07/08/23/350070823.db2.gz YYJHOQKPGHXVJC-ZDUSSCGKSA-N 1 0 207.317 3.422 10 0 BGAERO CCc1ccc([C@H]([NH3+])Cc2ccccc2C)o1 ZINC000051726904 171842863 /nfs/dbraw/zinc/84/28/63/171842863.db2.gz MUNZXIMZFOINQT-CQSZACIVSA-N 1 0 229.323 3.393 10 0 BGAERO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2N)[C@H](C)C1 ZINC000051729137 176174086 /nfs/dbraw/zinc/17/40/86/176174086.db2.gz FNEDERFEPUXCLJ-GHMZBOCLSA-N 1 0 236.334 3.028 10 0 BGAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1Cc1cc(F)ccc1N ZINC000051729138 177163758 /nfs/dbraw/zinc/16/37/58/177163758.db2.gz FNEDERFEPUXCLJ-WDEREUQCSA-N 1 0 236.334 3.028 10 0 BGAERO Cc1cccc([C@H](CN)[N@H+]2CC[C@H](C)C[C@@H]2C)c1 ZINC000051729354 179198887 /nfs/dbraw/zinc/19/88/87/179198887.db2.gz PGIGYZKYPFSQJZ-DZKIICNBSA-N 1 0 246.398 3.115 10 0 BGAERO C[C@@H]1CC[N@@H+]([C@]2(CN)CCC[C@H](C)C2)[C@H](C)C1 ZINC000051730577 177127784 /nfs/dbraw/zinc/12/77/84/177127784.db2.gz YWILFQCGHNDZDX-LXTVHRRPSA-N 1 0 238.419 3.014 10 0 BGAERO Cc1ccccc1[C@H](N)C[N@H+]1CC[C@H](C)C[C@@H]1C ZINC000051731166 179343782 /nfs/dbraw/zinc/34/37/82/179343782.db2.gz MSSXYEINYWQZTR-DUVNUKRYSA-N 1 0 246.398 3.115 10 0 BGAERO C[C@@H]1CC[N@@H+]([C@@H]2CCCCCC[C@@H]2N)[C@H](C)C1 ZINC000051731293 176180589 /nfs/dbraw/zinc/18/05/89/176180589.db2.gz UWXLOWXFZJVCGF-APIJFGDWSA-N 1 0 238.419 3.157 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@@H]1N1CC[C@H](C)C[C@@H]1C ZINC000051731405 169281754 /nfs/dbraw/zinc/28/17/54/169281754.db2.gz MNKFEIQJSSJFRI-XQLPTFJDSA-N 1 0 238.419 3.028 10 0 BGAERO C[C@@H]1CC[N@@H+]([C@H]2CNc3ccccc3C2)[C@H](C)C1 ZINC000051732543 176181041 /nfs/dbraw/zinc/18/10/41/176181041.db2.gz JAXWMVGTGLZHQU-UMVBOHGHSA-N 1 0 244.382 3.144 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N1CC[C@@H](C)C[C@H]1C ZINC000051732575 132361833 /nfs/dbraw/zinc/36/18/33/132361833.db2.gz ZPOWWHRVEJUICR-JHJVBQTASA-N 1 0 232.371 3.331 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1N1CC[C@H](C)C[C@H]1C ZINC000051732577 132361836 /nfs/dbraw/zinc/36/18/36/132361836.db2.gz ZPOWWHRVEJUICR-YNEHKIRRSA-N 1 0 232.371 3.331 10 0 BGAERO Cc1ccc(C(=O)C[N@H+]2CC[C@H](C)C[C@@H]2C)cc1 ZINC000051733611 178373879 /nfs/dbraw/zinc/37/38/79/178373879.db2.gz CDCQHXTWKNTECX-KBPBESRZSA-N 1 0 245.366 3.298 10 0 BGAERO Cc1ccc(C(=O)C[N@H+]2CC[C@@H](C)C[C@@H]2C)cc1 ZINC000051733613 178373341 /nfs/dbraw/zinc/37/33/41/178373341.db2.gz CDCQHXTWKNTECX-KGLIPLIRSA-N 1 0 245.366 3.298 10 0 BGAERO C[C@@H]1CC[N@H+](CCNc2ccccc2)[C@H](C)C1 ZINC000051746643 176169631 /nfs/dbraw/zinc/16/96/31/176169631.db2.gz ICAKHOJYHFUSCU-ZIAGYGMSSA-N 1 0 232.371 3.219 10 0 BGAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1CCNc1ccccc1 ZINC000051746646 177160402 /nfs/dbraw/zinc/16/04/02/177160402.db2.gz ICAKHOJYHFUSCU-UONOGXRCSA-N 1 0 232.371 3.219 10 0 BGAERO Cc1cc(C[N@H+]2CC[C@H](C)C[C@@H]2C)ccc1N ZINC000051746667 178001613 /nfs/dbraw/zinc/00/16/13/178001613.db2.gz UISPCBIPGPGUJD-AAEUAGOBSA-N 1 0 232.371 3.198 10 0 BGAERO C[C@@H]1CC[N@@H+]([C@@H]2CCCCCC[C@@H]2O)[C@H](C)C1 ZINC000051747347 176180430 /nfs/dbraw/zinc/18/04/30/176180430.db2.gz KOOFPGLWGUKSPH-TUVASFSCSA-N 1 0 239.403 3.191 10 0 BGAERO CCNc1ccc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)cn1 ZINC000051748304 170173867 /nfs/dbraw/zinc/17/38/67/170173867.db2.gz UBDLZUDYHFTDEM-STQMWFEESA-N 1 0 247.386 3.134 10 0 BGAERO CCNc1ccc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)cn1 ZINC000051748306 170173741 /nfs/dbraw/zinc/17/37/41/170173741.db2.gz UBDLZUDYHFTDEM-OLZOCXBDSA-N 1 0 247.386 3.134 10 0 BGAERO C[C@@H]1CC[N@H+](CC2(CO)CCCCC2)[C@H](C)C1 ZINC000051748674 176168614 /nfs/dbraw/zinc/16/86/14/176168614.db2.gz KFHOCDJUORYHNR-ZIAGYGMSSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@@H]1C[C@@H](C)CC[N@@H+]1CC1(CO)CCCCC1 ZINC000051748676 177158723 /nfs/dbraw/zinc/15/87/23/177158723.db2.gz KFHOCDJUORYHNR-UONOGXRCSA-N 1 0 239.403 3.050 10 0 BGAERO CC[NH2+]Cc1csc(Cc2ccc(C)cc2)n1 ZINC000051753081 170130612 /nfs/dbraw/zinc/13/06/12/170130612.db2.gz LRFPNKWJICAETK-UHFFFAOYSA-N 1 0 246.379 3.152 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc2c(c1)CC(C)(C)O2 ZINC000051754813 167421981 /nfs/dbraw/zinc/42/19/81/167421981.db2.gz FNZSZOJVRMNFNU-CYBMUJFWSA-N 1 0 219.328 3.056 10 0 BGAERO C[NH2+][C@@H](c1ccc2c(c1)CC(C)(C)O2)C1CC1 ZINC000051755177 517975311 /nfs/dbraw/zinc/97/53/11/517975311.db2.gz KSQLHSUBUPYIRB-CQSZACIVSA-N 1 0 231.339 3.071 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc2c(c1)CC(C)(C)O2 ZINC000051755255 170142019 /nfs/dbraw/zinc/14/20/19/170142019.db2.gz RYCUCLUUHQCGQJ-JTQLQIEISA-N 1 0 219.328 3.071 10 0 BGAERO CC[NH2+][C@H](C)c1ccc2c(c1)CC(C)(C)O2 ZINC000051755257 170158862 /nfs/dbraw/zinc/15/88/62/170158862.db2.gz RYCUCLUUHQCGQJ-SNVBAGLBSA-N 1 0 219.328 3.071 10 0 BGAERO O[C@@H]1CCCCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000051756378 183187193 /nfs/dbraw/zinc/18/71/93/183187193.db2.gz MKDAXVITEVPUAG-LSDHHAIUSA-N 1 0 237.387 3.160 10 0 BGAERO O[C@@H]1CCCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000051756380 183188204 /nfs/dbraw/zinc/18/82/04/183188204.db2.gz MKDAXVITEVPUAG-HUUCEWRRSA-N 1 0 237.387 3.160 10 0 BGAERO O[C@H]1CCCCC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC000051756381 183231897 /nfs/dbraw/zinc/23/18/97/183231897.db2.gz MKDAXVITEVPUAG-GJZGRUSLSA-N 1 0 237.387 3.160 10 0 BGAERO O[C@H]1CCCCC[C@H]1[NH2+]CCC1=CCCCC1 ZINC000051756383 183231805 /nfs/dbraw/zinc/23/18/05/183231805.db2.gz MKDAXVITEVPUAG-CABCVRRESA-N 1 0 237.387 3.160 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000051769911 384702190 /nfs/dbraw/zinc/70/21/90/384702190.db2.gz FBWZLHWVQKYXDM-IMJJTQAJSA-N 1 0 247.382 3.258 10 0 BGAERO CC(C)[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000051770300 322851969 /nfs/dbraw/zinc/85/19/69/322851969.db2.gz XJCRFGXNZIWNKJ-PMPSAXMXSA-N 1 0 247.382 3.277 10 0 BGAERO CC[C@@H](C)Oc1cccc(NC2CC[NH2+]CC2)c1 ZINC000051780102 386872285 /nfs/dbraw/zinc/87/22/85/386872285.db2.gz NGYQYEWOHVNQRO-GFCCVEGCSA-N 1 0 248.370 3.028 10 0 BGAERO CC[C@H](C)Oc1cccc(NC2CC[NH2+]CC2)c1 ZINC000051780104 171356241 /nfs/dbraw/zinc/35/62/41/171356241.db2.gz NGYQYEWOHVNQRO-LBPRGKRZSA-N 1 0 248.370 3.028 10 0 BGAERO Clc1ccc(Cl)c(S[C@@H]2CC[NH2+]C2)c1 ZINC000051783941 385916095 /nfs/dbraw/zinc/91/60/95/385916095.db2.gz ZPVWTQCTAJRZIT-MRVPVSSYSA-N 1 0 248.178 3.447 10 0 BGAERO Clc1ccc(Cl)c(S[C@H]2CC[NH2+]C2)c1 ZINC000051783943 385915523 /nfs/dbraw/zinc/91/55/23/385915523.db2.gz ZPVWTQCTAJRZIT-QMMMGPOBSA-N 1 0 248.178 3.447 10 0 BGAERO CCCOc1ccc(Nc2cc(N)cc[nH+]2)cc1 ZINC000051785299 169320339 /nfs/dbraw/zinc/32/03/39/169320339.db2.gz ORSADUKEBOONMY-UHFFFAOYSA-N 1 0 243.310 3.196 10 0 BGAERO CCCOc1ccc(Nc2cc[nH+]cc2N)cc1 ZINC000051785346 169319821 /nfs/dbraw/zinc/31/98/21/169319821.db2.gz XEBYBEINHSEXRF-UHFFFAOYSA-N 1 0 243.310 3.196 10 0 BGAERO CCCOc1ccc2[nH+]ccc(NC)c2c1 ZINC000051786946 169323816 /nfs/dbraw/zinc/32/38/16/169323816.db2.gz NCWMYPIUCMFXRH-UHFFFAOYSA-N 1 0 216.284 3.065 10 0 BGAERO c1ccc2c(c1)cccc2CO[C@H]1CCC[NH2+]C1 ZINC000051787369 183438608 /nfs/dbraw/zinc/43/86/08/183438608.db2.gz HBZUBXHKTOEEDC-HNNXBMFYSA-N 1 0 241.334 3.108 10 0 BGAERO CC(C)(C)c1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000051787382 343262046 /nfs/dbraw/zinc/26/20/46/343262046.db2.gz FJPCURJXMGHJGL-OAHLLOKOSA-N 1 0 247.382 3.253 10 0 BGAERO CC(C)(C)c1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC000051787383 343262131 /nfs/dbraw/zinc/26/21/31/343262131.db2.gz FJPCURJXMGHJGL-HNNXBMFYSA-N 1 0 247.382 3.253 10 0 BGAERO c1c[nH]c(C[NH2+]C23CC4CC(CC(C4)C2)C3)c1 ZINC000051787855 183325379 /nfs/dbraw/zinc/32/53/79/183325379.db2.gz GVSSXMYJAASNPW-UHFFFAOYSA-N 1 0 230.355 3.073 10 0 BGAERO COc1ccc(F)cc1[C@H](C)[NH2+]Cc1ccc[nH]1 ZINC000051788833 175133262 /nfs/dbraw/zinc/13/32/62/175133262.db2.gz JBFGOVSKXFRCQQ-JTQLQIEISA-N 1 0 248.301 3.013 10 0 BGAERO COc1ccc(F)cc1[C@@H](C)[NH2+]Cc1ccc[nH]1 ZINC000051788834 175131982 /nfs/dbraw/zinc/13/19/82/175131982.db2.gz JBFGOVSKXFRCQQ-SNVBAGLBSA-N 1 0 248.301 3.013 10 0 BGAERO FC(F)(F)C1CCC([NH2+]Cc2ccc[nH]2)CC1 ZINC000051788854 180878911 /nfs/dbraw/zinc/87/89/11/180878911.db2.gz LAAOKJLUGNEUJR-UHFFFAOYSA-N 1 0 246.276 3.225 10 0 BGAERO CC(C)(C)CC(C)(C)[NH2+]Cc1ccc[nH]1 ZINC000051788865 166552976 /nfs/dbraw/zinc/55/29/76/166552976.db2.gz RWOURPKXDQRJCV-UHFFFAOYSA-N 1 0 208.349 3.319 10 0 BGAERO Cc1cc([C@@H](C)[NH2+]Cc2ccc[nH]2)c(C)o1 ZINC000051789680 178228858 /nfs/dbraw/zinc/22/88/58/178228858.db2.gz IOSHANZHQZNOHY-SNVBAGLBSA-N 1 0 218.300 3.075 10 0 BGAERO Cc1cc([C@H](C)[NH2+]Cc2ccc[nH]2)c(C)o1 ZINC000051789682 178251317 /nfs/dbraw/zinc/25/13/17/178251317.db2.gz IOSHANZHQZNOHY-JTQLQIEISA-N 1 0 218.300 3.075 10 0 BGAERO CC(C)(C)c1ccc(COC[C@@H]2CCC[NH2+]2)cc1 ZINC000051816470 385941210 /nfs/dbraw/zinc/94/12/10/385941210.db2.gz AIZJIZXZXOJFTC-HNNXBMFYSA-N 1 0 247.382 3.253 10 0 BGAERO CC(C)(C)c1ccc(COC[C@H]2CCC[NH2+]2)cc1 ZINC000051816471 188482231 /nfs/dbraw/zinc/48/22/31/188482231.db2.gz AIZJIZXZXOJFTC-OAHLLOKOSA-N 1 0 247.382 3.253 10 0 BGAERO CC[NH2+]CCOCc1ccc(C(C)(C)C)cc1 ZINC000051844361 170116054 /nfs/dbraw/zinc/11/60/54/170116054.db2.gz IZMBQJLMTDYFSX-UHFFFAOYSA-N 1 0 235.371 3.110 10 0 BGAERO CCC[NH2+]CCOCc1ccc(C(C)C)cc1 ZINC000051844731 169260811 /nfs/dbraw/zinc/26/08/11/169260811.db2.gz PFDVQQNLRDRUOA-UHFFFAOYSA-N 1 0 235.371 3.326 10 0 BGAERO CCOc1cccc(O[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000051846284 170583633 /nfs/dbraw/zinc/58/36/33/170583633.db2.gz FNQRNULRIMPSFT-LSDHHAIUSA-N 1 0 249.354 3.124 10 0 BGAERO Cc1cc2nc(CC[NH2+]C(C)(C)C)[nH]c2cc1C ZINC000051848018 178302285 /nfs/dbraw/zinc/30/22/85/178302285.db2.gz JEKZTIZYRUTNIB-UHFFFAOYSA-N 1 0 245.370 3.110 10 0 BGAERO CC[C@H](C)[NH2+]Cc1nc2cc(C)c(C)cc2[nH]1 ZINC000051848035 171344338 /nfs/dbraw/zinc/34/43/38/171344338.db2.gz WEUIJZZZPCNFAL-NSHDSACASA-N 1 0 231.343 3.068 10 0 BGAERO c1ccc2c(C[NH2+]C3CCCC3)ccnc2c1 ZINC000051848388 384705577 /nfs/dbraw/zinc/70/55/77/384705577.db2.gz YRTQVALBGQACJQ-UHFFFAOYSA-N 1 0 226.323 3.267 10 0 BGAERO Cc1ccc(COCC[C@@H]2CCCC[NH2+]2)cc1C ZINC000051862569 187270888 /nfs/dbraw/zinc/27/08/88/187270888.db2.gz QJAQEYOQVRJAOL-INIZCTEOSA-N 1 0 247.382 3.352 10 0 BGAERO Cc1ccc(COCC[C@H]2CCCC[NH2+]2)cc1C ZINC000051862573 187271573 /nfs/dbraw/zinc/27/15/73/187271573.db2.gz QJAQEYOQVRJAOL-MRXNPFEDSA-N 1 0 247.382 3.352 10 0 BGAERO CC(C)[NH2+]CCOCc1ccc(C(C)(C)C)cc1 ZINC000051863035 167109435 /nfs/dbraw/zinc/10/94/35/167109435.db2.gz UYICDWPQVCMGIR-UHFFFAOYSA-N 1 0 249.398 3.499 10 0 BGAERO Cc1ccc(C)c(COCCC[NH2+]C(C)C)c1 ZINC000051863936 178475827 /nfs/dbraw/zinc/47/58/27/178475827.db2.gz SWPIMWCPQCEPEQ-UHFFFAOYSA-N 1 0 235.371 3.208 10 0 BGAERO Cc1ccc(COCCC[NH2+]C(C)C)cc1C ZINC000051864050 187271370 /nfs/dbraw/zinc/27/13/70/187271370.db2.gz HULDJIMRWLIPKI-UHFFFAOYSA-N 1 0 235.371 3.208 10 0 BGAERO CC(C)[NH2+]CCCOc1ccc2ccccc2n1 ZINC000051872231 167102667 /nfs/dbraw/zinc/10/26/67/167102667.db2.gz SNVJHHFIXNYSTJ-UHFFFAOYSA-N 1 0 244.338 3.002 10 0 BGAERO Clc1ccc(SC[C@@H]2CC[NH2+]C2)cc1 ZINC000051890807 386624662 /nfs/dbraw/zinc/62/46/62/386624662.db2.gz KBCUXNQLEPMPNT-SECBINFHSA-N 1 0 227.760 3.042 10 0 BGAERO Clc1ccc(SC[C@H]2CC[NH2+]C2)cc1 ZINC000051890809 180584362 /nfs/dbraw/zinc/58/43/62/180584362.db2.gz KBCUXNQLEPMPNT-VIFPVBQESA-N 1 0 227.760 3.042 10 0 BGAERO Clc1ccccc1SC[C@@H]1CC[NH2+]C1 ZINC000051890839 386624206 /nfs/dbraw/zinc/62/42/06/386624206.db2.gz JIGROAAEFLWMOY-SECBINFHSA-N 1 0 227.760 3.042 10 0 BGAERO Clc1ccccc1SC[C@H]1CC[NH2+]C1 ZINC000051890841 386623111 /nfs/dbraw/zinc/62/31/11/386623111.db2.gz JIGROAAEFLWMOY-VIFPVBQESA-N 1 0 227.760 3.042 10 0 BGAERO Cc1cc(C)cc(COCC[C@H]2CCC[NH2+]C2)c1 ZINC000051918071 177901566 /nfs/dbraw/zinc/90/15/66/177901566.db2.gz ZGEGMCOIGYUQOA-OAHLLOKOSA-N 1 0 247.382 3.210 10 0 BGAERO Cc1cccc(C)c1OCC[C@@H]1CCC[NH2+]C1 ZINC000051920062 179046872 /nfs/dbraw/zinc/04/68/72/179046872.db2.gz AMQYWDYUUTUTPM-AWEZNQCLSA-N 1 0 233.355 3.072 10 0 BGAERO Cc1cccc(C)c1OCC[C@H]1CCC[NH2+]C1 ZINC000051920064 179047504 /nfs/dbraw/zinc/04/75/04/179047504.db2.gz AMQYWDYUUTUTPM-CQSZACIVSA-N 1 0 233.355 3.072 10 0 BGAERO CCC[NH2+][C@@H](C)CCCCn1cnc(C)c1C ZINC000051926288 169274975 /nfs/dbraw/zinc/27/49/75/169274975.db2.gz RDMJZBFMUHERBT-LBPRGKRZSA-N 1 0 237.391 3.058 10 0 BGAERO CCC[NH2+][C@H](C)CCCCn1cnc(C)c1C ZINC000051926289 169286525 /nfs/dbraw/zinc/28/65/25/169286525.db2.gz RDMJZBFMUHERBT-GFCCVEGCSA-N 1 0 237.391 3.058 10 0 BGAERO Cc1ncn([C@@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000051926419 180289666 /nfs/dbraw/zinc/28/96/66/180289666.db2.gz MNQKONYQQMEQDN-HZSPNIEDSA-N 1 0 249.402 3.215 10 0 BGAERO Cc1ncn([C@H]2C[C@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000051926420 180289754 /nfs/dbraw/zinc/28/97/54/180289754.db2.gz MNQKONYQQMEQDN-RDBSUJKOSA-N 1 0 249.402 3.215 10 0 BGAERO Cc1ncn([C@@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000051926421 180289580 /nfs/dbraw/zinc/28/95/80/180289580.db2.gz MNQKONYQQMEQDN-MELADBBJSA-N 1 0 249.402 3.215 10 0 BGAERO Cc1ncn([C@H]2C[C@@H](C(C)(C)C)CC[C@@H]2[NH3+])c1C ZINC000051926422 180288811 /nfs/dbraw/zinc/28/88/11/180288811.db2.gz MNQKONYQQMEQDN-IHRRRGAJSA-N 1 0 249.402 3.215 10 0 BGAERO CCC[NH2+][C@@H]1CCCCC[C@@H]1n1cnc(C)c1C ZINC000051926733 169281546 /nfs/dbraw/zinc/28/15/46/169281546.db2.gz RXDZZWQQTWONEY-CABCVRRESA-N 1 0 249.402 3.373 10 0 BGAERO CCC[NH2+][C@H]1CCCCC[C@@H]1n1cnc(C)c1C ZINC000051926734 169290688 /nfs/dbraw/zinc/29/06/88/169290688.db2.gz RXDZZWQQTWONEY-GJZGRUSLSA-N 1 0 249.402 3.373 10 0 BGAERO CCC[NH2+][C@@H]1CCCCC[C@H]1n1cnc(C)c1C ZINC000051926735 169282248 /nfs/dbraw/zinc/28/22/48/169282248.db2.gz RXDZZWQQTWONEY-HUUCEWRRSA-N 1 0 249.402 3.373 10 0 BGAERO CCC[NH2+][C@H]1CCCCC[C@H]1n1cnc(C)c1C ZINC000051926736 169290659 /nfs/dbraw/zinc/29/06/59/169290659.db2.gz RXDZZWQQTWONEY-LSDHHAIUSA-N 1 0 249.402 3.373 10 0 BGAERO CC[NH2+][C@@H]1CC[C@@H](CC)C[C@H]1n1cnc(C)c1C ZINC000051926876 170152586 /nfs/dbraw/zinc/15/25/86/170152586.db2.gz ISNPNYUXEUPODW-RBSFLKMASA-N 1 0 249.402 3.229 10 0 BGAERO CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1n1cnc(C)c1C ZINC000051926877 170154031 /nfs/dbraw/zinc/15/40/31/170154031.db2.gz ISNPNYUXEUPODW-RRFJBIMHSA-N 1 0 249.402 3.229 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1-n1cnc(C)c1C ZINC000051927210 170141759 /nfs/dbraw/zinc/14/17/59/170141759.db2.gz QTICTOHDPKUIRR-LBPRGKRZSA-N 1 0 243.354 3.160 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1-n1cnc(C)c1C ZINC000051927211 170160360 /nfs/dbraw/zinc/16/03/60/170160360.db2.gz QTICTOHDPKUIRR-GFCCVEGCSA-N 1 0 243.354 3.160 10 0 BGAERO CC[C@@H]1C[NH2+]Cc2ccc(Br)cc21 ZINC000051943499 171101538 /nfs/dbraw/zinc/10/15/38/171101538.db2.gz SMMDZCZOKANQRG-MRVPVSSYSA-N 1 0 240.144 3.046 10 0 BGAERO CC[C@H]1C[NH2+]Cc2ccc(Br)cc21 ZINC000051943502 384703051 /nfs/dbraw/zinc/70/30/51/384703051.db2.gz SMMDZCZOKANQRG-QMMMGPOBSA-N 1 0 240.144 3.046 10 0 BGAERO C[C@@](O)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000051953710 632027096 /nfs/dbraw/zinc/02/70/96/632027096.db2.gz VSOMBOJTOFKNKF-MRXNPFEDSA-N 1 0 247.382 3.160 10 0 BGAERO C[C@](O)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000051953712 632028833 /nfs/dbraw/zinc/02/88/33/632028833.db2.gz VSOMBOJTOFKNKF-INIZCTEOSA-N 1 0 247.382 3.160 10 0 BGAERO CC[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000051953769 632027777 /nfs/dbraw/zinc/02/77/77/632027777.db2.gz HJBVIBGXOPMWAE-ZBFHGGJFSA-N 1 0 247.382 3.016 10 0 BGAERO CC[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000051953770 632027639 /nfs/dbraw/zinc/02/76/39/632027639.db2.gz HJBVIBGXOPMWAE-HOCLYGCPSA-N 1 0 247.382 3.016 10 0 BGAERO CC(C)Oc1cccc([C@@H]2CC[NH2+]C2(C)C)c1 ZINC000051954993 167307837 /nfs/dbraw/zinc/30/78/37/167307837.db2.gz QYTRGXSMNJDEES-AWEZNQCLSA-N 1 0 233.355 3.329 10 0 BGAERO CC(C)Oc1cccc([C@H]2CC[NH2+]C2(C)C)c1 ZINC000051954995 167308968 /nfs/dbraw/zinc/30/89/68/167308968.db2.gz QYTRGXSMNJDEES-CQSZACIVSA-N 1 0 233.355 3.329 10 0 BGAERO C[C@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000051955048 350805289 /nfs/dbraw/zinc/80/52/89/350805289.db2.gz FVNVSAULABXSNE-NSHDSACASA-N 1 0 230.138 3.244 10 0 BGAERO C[C@@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000051955050 350805360 /nfs/dbraw/zinc/80/53/60/350805360.db2.gz FVNVSAULABXSNE-LLVKDONJSA-N 1 0 230.138 3.244 10 0 BGAERO C[C@]1(c2cc(Cl)ccc2Cl)CC[NH2+]C1 ZINC000051955311 350805555 /nfs/dbraw/zinc/80/55/55/350805555.db2.gz ZVTGPBPRZYHVLH-NSHDSACASA-N 1 0 230.138 3.244 10 0 BGAERO C[C@@]1(c2cc(Cl)ccc2Cl)CC[NH2+]C1 ZINC000051955312 350805386 /nfs/dbraw/zinc/80/53/86/350805386.db2.gz ZVTGPBPRZYHVLH-LLVKDONJSA-N 1 0 230.138 3.244 10 0 BGAERO CC[C@H]1[NH2+]CC[C@H]1c1ccc(Cl)cc1 ZINC000051957200 350806029 /nfs/dbraw/zinc/80/60/29/350806029.db2.gz OQUWHRABKGYBKW-NWDGAFQWSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@@H]1[NH2+]CC[C@H]1c1ccc(Cl)cc1 ZINC000051957201 350807211 /nfs/dbraw/zinc/80/72/11/350807211.db2.gz OQUWHRABKGYBKW-RYUDHWBXSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@H]1[NH2+]CC[C@@H]1c1ccc(Cl)cc1 ZINC000051957203 350807166 /nfs/dbraw/zinc/80/71/66/350807166.db2.gz OQUWHRABKGYBKW-VXGBXAGGSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@@H]1[NH2+]CC[C@@H]1c1ccc(Cl)cc1 ZINC000051957204 350807000 /nfs/dbraw/zinc/80/70/00/350807000.db2.gz OQUWHRABKGYBKW-NEPJUHHUSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@H]1[NH2+]CC[C@H]1c1ccccc1Cl ZINC000051957225 350807188 /nfs/dbraw/zinc/80/71/88/350807188.db2.gz YHKJCQUSJWXAHS-CMPLNLGQSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@@H]1[NH2+]CC[C@H]1c1ccccc1Cl ZINC000051957227 350806704 /nfs/dbraw/zinc/80/67/04/350806704.db2.gz YHKJCQUSJWXAHS-JQWIXIFHSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@H]1[NH2+]CC[C@@H]1c1ccccc1Cl ZINC000051957228 350806918 /nfs/dbraw/zinc/80/69/18/350806918.db2.gz YHKJCQUSJWXAHS-ZYHUDNBSSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@@H]1[NH2+]CC[C@@H]1c1ccccc1Cl ZINC000051957231 350807199 /nfs/dbraw/zinc/80/71/99/350807199.db2.gz YHKJCQUSJWXAHS-PWSUYJOCSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@H]1[NH2+]CC[C@H]1c1cccc(Cl)c1 ZINC000051957276 350807194 /nfs/dbraw/zinc/80/71/94/350807194.db2.gz OVANIBIEHCHIBK-NWDGAFQWSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@@H]1[NH2+]CC[C@H]1c1cccc(Cl)c1 ZINC000051957278 350806913 /nfs/dbraw/zinc/80/69/13/350806913.db2.gz OVANIBIEHCHIBK-RYUDHWBXSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@H]1[NH2+]CC[C@@H]1c1cccc(Cl)c1 ZINC000051957279 350807108 /nfs/dbraw/zinc/80/71/08/350807108.db2.gz OVANIBIEHCHIBK-VXGBXAGGSA-N 1 0 209.720 3.196 10 0 BGAERO CC[C@@H]1[NH2+]CC[C@@H]1c1cccc(Cl)c1 ZINC000051957280 350806802 /nfs/dbraw/zinc/80/68/02/350806802.db2.gz OVANIBIEHCHIBK-NEPJUHHUSA-N 1 0 209.720 3.196 10 0 BGAERO CC[NH2+]CC(C)(C)O[C@@H]1CCCc2ccccc21 ZINC000051957535 170111013 /nfs/dbraw/zinc/11/10/13/170111013.db2.gz NPKNBIIOMPPIPK-OAHLLOKOSA-N 1 0 247.382 3.469 10 0 BGAERO CC[NH2+]CC(C)(C)O[C@H]1CCCc2ccccc21 ZINC000051957536 170111142 /nfs/dbraw/zinc/11/11/42/170111142.db2.gz NPKNBIIOMPPIPK-HNNXBMFYSA-N 1 0 247.382 3.469 10 0 BGAERO C[NH2+]CC(C)(C)Oc1ccccc1C(F)(F)F ZINC000051957565 173337191 /nfs/dbraw/zinc/33/71/91/173337191.db2.gz CUHMAEUHCHYIOK-UHFFFAOYSA-N 1 0 247.260 3.082 10 0 BGAERO CCC[NH2+]CC(C)(C)Oc1ccc(CC)cc1 ZINC000051957644 169255215 /nfs/dbraw/zinc/25/52/15/169255215.db2.gz PGNOEYAWHSTWML-UHFFFAOYSA-N 1 0 235.371 3.406 10 0 BGAERO C[NH2+]CC(C)(C)Oc1ccc(C(C)C)c(C)c1 ZINC000051957653 173335787 /nfs/dbraw/zinc/33/57/87/173335787.db2.gz RWWMIEQIXLUDDK-UHFFFAOYSA-N 1 0 235.371 3.495 10 0 BGAERO CCC(C)(C)c1ccc(OC(C)(C)C[NH3+])cc1 ZINC000051957683 168305651 /nfs/dbraw/zinc/30/56/51/168305651.db2.gz GGFIFOSAGDVLDA-UHFFFAOYSA-N 1 0 235.371 3.490 10 0 BGAERO CCC[NH2+]CC(C)(C)Oc1cc(C)cc(C)c1 ZINC000051957703 169255415 /nfs/dbraw/zinc/25/54/15/169255415.db2.gz OWWYTOKIEUTDLF-UHFFFAOYSA-N 1 0 235.371 3.460 10 0 BGAERO C[NH2+]CC(C)(C)O[C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000051957888 173336322 /nfs/dbraw/zinc/33/63/22/173336322.db2.gz RKHLGRLJISPPNC-NEPJUHHUSA-N 1 0 227.392 3.216 10 0 BGAERO C[NH2+]CC(C)(C)O[C@H]1C[C@H](C)CC(C)(C)C1 ZINC000051957890 173336609 /nfs/dbraw/zinc/33/66/09/173336609.db2.gz RKHLGRLJISPPNC-RYUDHWBXSA-N 1 0 227.392 3.216 10 0 BGAERO C[NH2+]CC(C)(C)O[C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000051957892 173336755 /nfs/dbraw/zinc/33/67/55/173336755.db2.gz RKHLGRLJISPPNC-VXGBXAGGSA-N 1 0 227.392 3.216 10 0 BGAERO C[NH2+]CC(C)(C)O[C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000051957893 173336655 /nfs/dbraw/zinc/33/66/55/173336655.db2.gz RKHLGRLJISPPNC-NWDGAFQWSA-N 1 0 227.392 3.216 10 0 BGAERO CCC[NH2+]CC(C)(C)Oc1ccc2c(c1)CCC2 ZINC000051957945 169257084 /nfs/dbraw/zinc/25/70/84/169257084.db2.gz UYJRNGPGYZZWCC-UHFFFAOYSA-N 1 0 247.382 3.332 10 0 BGAERO CC[NH2+]CC(C)(C)OCCCc1ccccc1 ZINC000051958155 170111078 /nfs/dbraw/zinc/11/10/78/170111078.db2.gz RMVZCXXHCYPPJY-UHFFFAOYSA-N 1 0 235.371 3.024 10 0 BGAERO CCC[NH2+]C[C@@](C)(CC)OCc1ccccc1 ZINC000051958238 169264025 /nfs/dbraw/zinc/26/40/25/169264025.db2.gz XWHMWVGBFGTQAX-OAHLLOKOSA-N 1 0 235.371 3.372 10 0 BGAERO CCC[NH2+]C[C@](C)(CC)OCc1ccccc1 ZINC000051958240 169264917 /nfs/dbraw/zinc/26/49/17/169264917.db2.gz XWHMWVGBFGTQAX-HNNXBMFYSA-N 1 0 235.371 3.372 10 0 BGAERO CC[NH2+]C[C@](C)(CC)Oc1c(C)cccc1C ZINC000051958714 170123679 /nfs/dbraw/zinc/12/36/79/170123679.db2.gz NEVSIDSJURGCTF-HNNXBMFYSA-N 1 0 235.371 3.460 10 0 BGAERO CC[NH2+]C[C@@](C)(CC)Oc1c(C)cccc1C ZINC000051958715 170121045 /nfs/dbraw/zinc/12/10/45/170121045.db2.gz NEVSIDSJURGCTF-OAHLLOKOSA-N 1 0 235.371 3.460 10 0 BGAERO CC[C@@](C)(C[NH3+])Oc1cccc2ccccc21 ZINC000051959034 171167355 /nfs/dbraw/zinc/16/73/55/171167355.db2.gz UMSLRPDTIUIQOT-HNNXBMFYSA-N 1 0 229.323 3.346 10 0 BGAERO CC[C@@](C)(C[NH2+]C)Oc1cccc2cccnc21 ZINC000051959388 171167315 /nfs/dbraw/zinc/16/73/15/171167315.db2.gz PUOWYHUBPUENGH-HNNXBMFYSA-N 1 0 244.338 3.002 10 0 BGAERO Cc1ccccc1CC[C@H]([NH3+])Cc1ccccc1 ZINC000051985486 179266737 /nfs/dbraw/zinc/26/67/37/179266737.db2.gz MYLFDXDZUKOHOU-KRWDZBQOSA-N 1 0 239.362 3.498 10 0 BGAERO Cc1ccccc1CC[C@@H]([NH3+])Cc1ccccc1 ZINC000051985487 179267570 /nfs/dbraw/zinc/26/75/70/179267570.db2.gz MYLFDXDZUKOHOU-QGZVFWFLSA-N 1 0 239.362 3.498 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c(C)c1 ZINC000051992001 343028624 /nfs/dbraw/zinc/02/86/24/343028624.db2.gz VBCGZMAQTJGHIW-IMJJTQAJSA-N 1 0 247.382 3.258 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC(C)(C)C1 ZINC000051992811 386871766 /nfs/dbraw/zinc/87/17/66/386871766.db2.gz AHSOJAFFYIIPFB-RQJABVFESA-N 1 0 239.403 3.094 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)cc1C ZINC000051992896 343028592 /nfs/dbraw/zinc/02/85/92/343028592.db2.gz VXCREVLQAMBNBJ-IMJJTQAJSA-N 1 0 247.382 3.258 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051992971 171299416 /nfs/dbraw/zinc/29/94/16/171299416.db2.gz ATCJZRUMAOSGBV-FQUUOJAGSA-N 1 0 227.392 3.094 10 0 BGAERO CC(C)CC(CC(C)C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000051994570 343028774 /nfs/dbraw/zinc/02/87/74/343028774.db2.gz VKBWRRMBWDJFDF-CABCVRRESA-N 1 0 241.419 3.340 10 0 BGAERO CC(C)CC(CC(C)C)[NH2+][C@H]1CCCC[C@H]1O ZINC000051994577 343028663 /nfs/dbraw/zinc/02/86/63/343028663.db2.gz VKBWRRMBWDJFDF-LSDHHAIUSA-N 1 0 241.419 3.340 10 0 BGAERO CN(C(=[NH2+])NC1CCCC1)C1CCCCCC1 ZINC000052045625 172292170 /nfs/dbraw/zinc/29/21/70/172292170.db2.gz KQEZZYZRQTUMRH-UHFFFAOYSA-N 1 0 237.391 3.108 10 0 BGAERO [NH2+]=C(NC1CCCC1)N1CCC[C@H]1C1CCCC1 ZINC000052046337 181197415 /nfs/dbraw/zinc/19/74/15/181197415.db2.gz WBZFRKTXOQYNJP-AWEZNQCLSA-N 1 0 249.402 3.108 10 0 BGAERO [NH2+]=C(NC1CCCC1)N1CCC[C@@H]1C1CCCC1 ZINC000052046339 181197725 /nfs/dbraw/zinc/19/77/25/181197725.db2.gz WBZFRKTXOQYNJP-CQSZACIVSA-N 1 0 249.402 3.108 10 0 BGAERO Cc1cc(C)cc(N(C)C(=[NH2+])NC2CCCC2)c1 ZINC000052046394 177903646 /nfs/dbraw/zinc/90/36/46/177903646.db2.gz QTTNODCTNQCIGU-UHFFFAOYSA-N 1 0 245.370 3.207 10 0 BGAERO CN(C(=[NH2+])Nc1ccccc1)c1ccccc1F ZINC000052046433 172292471 /nfs/dbraw/zinc/29/24/71/172292471.db2.gz DOBHOBUEBBAQNO-UHFFFAOYSA-N 1 0 243.285 3.309 10 0 BGAERO C[C@@H](NC(=[NH2+])Nc1ccccc1)c1ccccc1 ZINC000052046712 175823149 /nfs/dbraw/zinc/82/31/49/175823149.db2.gz ICXNFAYUKCNRRD-GFCCVEGCSA-N 1 0 239.322 3.384 10 0 BGAERO C[C@@H]1CCCC[C@@H]1NC(=[NH2+])Nc1ccccc1 ZINC000052046904 176079073 /nfs/dbraw/zinc/07/90/73/176079073.db2.gz XYPJDMXITIOBIE-YPMHNXCESA-N 1 0 231.343 3.202 10 0 BGAERO C[C@H]1CCCC[C@@H]1NC(=[NH2+])Nc1ccccc1 ZINC000052046906 177081744 /nfs/dbraw/zinc/08/17/44/177081744.db2.gz XYPJDMXITIOBIE-AAEUAGOBSA-N 1 0 231.343 3.202 10 0 BGAERO CC1CCC(NC(=[NH2+])Nc2ccccc2)CC1 ZINC000052046971 168159642 /nfs/dbraw/zinc/15/96/42/168159642.db2.gz WEOYEYGUTYPYMU-UHFFFAOYSA-N 1 0 231.343 3.202 10 0 BGAERO C[C@@H]1CCC[C@H](NC(=[NH2+])NC2CCCCC2)C1 ZINC000052047062 176141624 /nfs/dbraw/zinc/14/16/24/176141624.db2.gz IOKSMQYUHLSFRQ-YPMHNXCESA-N 1 0 237.391 3.012 10 0 BGAERO C[C@H]1CCC[C@H](NC(=[NH2+])NC2CCCCC2)C1 ZINC000052047064 177135278 /nfs/dbraw/zinc/13/52/78/177135278.db2.gz IOKSMQYUHLSFRQ-AAEUAGOBSA-N 1 0 237.391 3.012 10 0 BGAERO Cc1ccccc1[C@@H](C)NC(=[NH2+])NC1CCCC1 ZINC000052048549 179317891 /nfs/dbraw/zinc/31/78/91/179317891.db2.gz NFEZPVYWKJKAEH-GFCCVEGCSA-N 1 0 245.370 3.113 10 0 BGAERO Cc1ccccc1[C@H](C)NC(=[NH2+])NC1CCCC1 ZINC000052048551 179335448 /nfs/dbraw/zinc/33/54/48/179335448.db2.gz NFEZPVYWKJKAEH-LBPRGKRZSA-N 1 0 245.370 3.113 10 0 BGAERO c1ccc2c(c1)cccc2C[NH2+][C@H]1CCSC1 ZINC000052060493 183439331 /nfs/dbraw/zinc/43/93/31/183439331.db2.gz FWGRRISVLQIPOG-AWEZNQCLSA-N 1 0 243.375 3.435 10 0 BGAERO c1ccc2c(c1)cccc2CNC1=[NH+]CCS1 ZINC000052062966 183437223 /nfs/dbraw/zinc/43/72/23/183437223.db2.gz PPXCUEHWYQRZOB-UHFFFAOYSA-N 1 0 242.347 3.032 10 0 BGAERO CCc1c2cc(Cl)ccc2oc1C[NH3+] ZINC000052068849 350902671 /nfs/dbraw/zinc/90/26/71/350902671.db2.gz IBXZJRMCEIONAJ-UHFFFAOYSA-N 1 0 209.676 3.107 10 0 BGAERO CC(C)c1c2cc(F)ccc2oc1C[NH3+] ZINC000052068863 167554887 /nfs/dbraw/zinc/55/48/87/167554887.db2.gz NQFHCZHQYVLWEM-UHFFFAOYSA-N 1 0 207.248 3.154 10 0 BGAERO Cc1c2cc(Cl)cc(C)c2oc1C[NH3+] ZINC000052068873 350902420 /nfs/dbraw/zinc/90/24/20/350902420.db2.gz MWCYGXHBXWRNNT-UHFFFAOYSA-N 1 0 209.676 3.162 10 0 BGAERO [NH3+]Cc1cc2cc(Cl)cc(Cl)c2o1 ZINC000052068922 385634028 /nfs/dbraw/zinc/63/40/28/385634028.db2.gz BXRMCTROIHHBRP-UHFFFAOYSA-N 1 0 216.067 3.198 10 0 BGAERO Cc1cc2oc(C[NH3+])cc2c(C)c1Cl ZINC000052069005 350902706 /nfs/dbraw/zinc/90/27/06/350902706.db2.gz XOALCELSVIGGMH-UHFFFAOYSA-N 1 0 209.676 3.162 10 0 BGAERO CCc1cccc(C)c1NC(=[NH2+])NCC(C)C ZINC000052069148 188482567 /nfs/dbraw/zinc/48/25/67/188482567.db2.gz BZRTZABBPPNSMP-UHFFFAOYSA-N 1 0 233.359 3.150 10 0 BGAERO CC(C)NC(=[NH2+])Nc1cccc2ccccc21 ZINC000052069173 167035295 /nfs/dbraw/zinc/03/52/95/167035295.db2.gz ILPULDXADDKAHB-UHFFFAOYSA-N 1 0 227.311 3.184 10 0 BGAERO CCCNC(=[NH2+])Nc1cccc(C(F)(F)F)c1 ZINC000052069269 169212473 /nfs/dbraw/zinc/21/24/73/169212473.db2.gz PZXBLBVPBULEMI-UHFFFAOYSA-N 1 0 245.248 3.052 10 0 BGAERO CC(C)(C)c1ccc(NC(=[NH2+])NC2CC2)cc1 ZINC000052069285 188126531 /nfs/dbraw/zinc/12/65/31/188126531.db2.gz HLJKZGZUFMNUKE-UHFFFAOYSA-N 1 0 231.343 3.083 10 0 BGAERO CCCNC(=[NH2+])Nc1ccc(C(F)(F)F)cc1 ZINC000052069437 169212390 /nfs/dbraw/zinc/21/23/90/169212390.db2.gz NIVOWQMZTUEWBC-UHFFFAOYSA-N 1 0 245.248 3.052 10 0 BGAERO CC(C)Oc1ccc(NC(=[NH2+])NC(C)(C)C)cc1 ZINC000052069827 188299692 /nfs/dbraw/zinc/29/96/92/188299692.db2.gz QZHMEPANSUKXEV-UHFFFAOYSA-N 1 0 249.358 3.209 10 0 BGAERO CCCCc1ccc(NC(=[NH2+])NCCC)cc1 ZINC000052069915 169021357 /nfs/dbraw/zinc/02/13/57/169021357.db2.gz QMQXSPAVBOIKGB-UHFFFAOYSA-N 1 0 233.359 3.375 10 0 BGAERO CCCc1ccc(NC(=[NH2+])NCC(C)C)cc1 ZINC000052069919 169571993 /nfs/dbraw/zinc/57/19/93/169571993.db2.gz VBQNOVAIBRJMHK-UHFFFAOYSA-N 1 0 233.359 3.231 10 0 BGAERO C[C@@H]1Cc2c(Cl)cc(Cl)cc2C[NH2+]1 ZINC000052095239 350919020 /nfs/dbraw/zinc/91/90/20/350919020.db2.gz XSXYXPZBRQKLLP-ZCFIWIBFSA-N 1 0 216.111 3.028 10 0 BGAERO C[C@H]1Cc2c(Cl)cc(Cl)cc2C[NH2+]1 ZINC000052095240 350919033 /nfs/dbraw/zinc/91/90/33/350919033.db2.gz XSXYXPZBRQKLLP-LURJTMIESA-N 1 0 216.111 3.028 10 0 BGAERO C[C@@H]1Cc2c(ccc(Cl)c2Cl)C[NH2+]1 ZINC000052095251 350918999 /nfs/dbraw/zinc/91/89/99/350918999.db2.gz GHVYBQILJLQUCO-ZCFIWIBFSA-N 1 0 216.111 3.028 10 0 BGAERO C[C@H]1Cc2c(ccc(Cl)c2Cl)C[NH2+]1 ZINC000052095252 350918866 /nfs/dbraw/zinc/91/88/66/350918866.db2.gz GHVYBQILJLQUCO-LURJTMIESA-N 1 0 216.111 3.028 10 0 BGAERO C[C@@H]1Cc2cc(Cl)cc(Cl)c2C[NH2+]1 ZINC000052095273 350918916 /nfs/dbraw/zinc/91/89/16/350918916.db2.gz ADJDUXULATVKPR-ZCFIWIBFSA-N 1 0 216.111 3.028 10 0 BGAERO C[C@H]1Cc2cc(Cl)cc(Cl)c2C[NH2+]1 ZINC000052095274 350918546 /nfs/dbraw/zinc/91/85/46/350918546.db2.gz ADJDUXULATVKPR-LURJTMIESA-N 1 0 216.111 3.028 10 0 BGAERO CC[C@@H]1Cc2c(Cl)c(Cl)ccc2C[NH2+]1 ZINC000052095321 350918810 /nfs/dbraw/zinc/91/88/10/350918810.db2.gz YILOOIYRGYOYCU-MRVPVSSYSA-N 1 0 230.138 3.418 10 0 BGAERO CC[C@H]1Cc2c(Cl)c(Cl)ccc2C[NH2+]1 ZINC000052095322 350918995 /nfs/dbraw/zinc/91/89/95/350918995.db2.gz YILOOIYRGYOYCU-QMMMGPOBSA-N 1 0 230.138 3.418 10 0 BGAERO CC[C@@H]1Cc2ccc(OC(F)(F)F)cc2C[NH2+]1 ZINC000052095349 171143266 /nfs/dbraw/zinc/14/32/66/171143266.db2.gz WSBDXKKFLJQTLN-SNVBAGLBSA-N 1 0 245.244 3.010 10 0 BGAERO CC[C@H]1Cc2ccc(OC(F)(F)F)cc2C[NH2+]1 ZINC000052095350 171680697 /nfs/dbraw/zinc/68/06/97/171680697.db2.gz WSBDXKKFLJQTLN-JTQLQIEISA-N 1 0 245.244 3.010 10 0 BGAERO C[C@H]1[NH2+]CCc2c(Cl)c(Cl)ccc21 ZINC000052095381 384718813 /nfs/dbraw/zinc/71/88/13/384718813.db2.gz FSKRDHPQZXLCIS-ZCFIWIBFSA-N 1 0 216.111 3.200 10 0 BGAERO C[C@@H]1[NH2+]CCc2c(Cl)c(Cl)ccc21 ZINC000052095382 385666325 /nfs/dbraw/zinc/66/63/25/385666325.db2.gz FSKRDHPQZXLCIS-LURJTMIESA-N 1 0 216.111 3.200 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c3ccccc3ccc21 ZINC000052095432 171150041 /nfs/dbraw/zinc/15/00/41/171150041.db2.gz UCNGNIAFAGKSAJ-HNNXBMFYSA-N 1 0 211.308 3.437 10 0 BGAERO CC[C@H]1[NH2+]CCc2c(OC(F)(F)F)cccc21 ZINC000052095455 171683163 /nfs/dbraw/zinc/68/31/63/171683163.db2.gz OFZHQEIMQKQICX-SNVBAGLBSA-N 1 0 245.244 3.182 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(OC(F)(F)F)cccc21 ZINC000052095456 171150571 /nfs/dbraw/zinc/15/05/71/171150571.db2.gz OFZHQEIMQKQICX-JTQLQIEISA-N 1 0 245.244 3.182 10 0 BGAERO CC[C@@H]1[NH2+]CCc2ccc(OC(F)(F)F)cc21 ZINC000052095458 171150704 /nfs/dbraw/zinc/15/07/04/171150704.db2.gz JLIYYQNLCDIAAE-NSHDSACASA-N 1 0 245.244 3.182 10 0 BGAERO CCC[C@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000052095501 343632244 /nfs/dbraw/zinc/63/22/44/343632244.db2.gz TWESYHXJIXARAY-GFCCVEGCSA-N 1 0 209.720 3.327 10 0 BGAERO CCC[C@@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000052095502 350918804 /nfs/dbraw/zinc/91/88/04/350918804.db2.gz TWESYHXJIXARAY-LBPRGKRZSA-N 1 0 209.720 3.327 10 0 BGAERO Cc1ccc2c(c1C)CC[NH2+][C@@H]2C(C)C ZINC000052095547 178962019 /nfs/dbraw/zinc/96/20/19/178962019.db2.gz ULYFWIDTMOOUIS-CQSZACIVSA-N 1 0 203.329 3.146 10 0 BGAERO Cc1ccc2c(c1C)CC[NH2+][C@H]2C(C)C ZINC000052095548 178961525 /nfs/dbraw/zinc/96/15/25/178961525.db2.gz ULYFWIDTMOOUIS-AWEZNQCLSA-N 1 0 203.329 3.146 10 0 BGAERO CC(C)[C@@H]1[NH2+]CCc2c(OC(F)F)cccc21 ZINC000052095558 188126177 /nfs/dbraw/zinc/12/61/77/188126177.db2.gz KHWJNXZDUOYUMJ-LBPRGKRZSA-N 1 0 241.281 3.131 10 0 BGAERO CC(C)[C@H]1[NH2+]CCc2ccc(Cl)cc21 ZINC000052095565 385666312 /nfs/dbraw/zinc/66/63/12/385666312.db2.gz BXIUUZANMYZQRH-GFCCVEGCSA-N 1 0 209.720 3.183 10 0 BGAERO CC(C)[C@@H]1[NH2+]CCc2ccc(Cl)cc21 ZINC000052095566 187271453 /nfs/dbraw/zinc/27/14/53/187271453.db2.gz BXIUUZANMYZQRH-LBPRGKRZSA-N 1 0 209.720 3.183 10 0 BGAERO CC(C)[C@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000052095567 385667401 /nfs/dbraw/zinc/66/74/01/385667401.db2.gz LXYKSBAHVQIMDM-GFCCVEGCSA-N 1 0 209.720 3.183 10 0 BGAERO CC(C)[C@@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000052095568 187270879 /nfs/dbraw/zinc/27/08/79/187270879.db2.gz LXYKSBAHVQIMDM-LBPRGKRZSA-N 1 0 209.720 3.183 10 0 BGAERO Cc1ccc(C)c2c1CC[NH2+][C@H]2C(C)C ZINC000052095604 178505627 /nfs/dbraw/zinc/50/56/27/178505627.db2.gz YZBRBOQKZWSMIY-AWEZNQCLSA-N 1 0 203.329 3.146 10 0 BGAERO Cc1cc(F)cc2c1CC[NH2+][C@@H]2C(C)(C)C ZINC000052095665 178079048 /nfs/dbraw/zinc/07/90/48/178079048.db2.gz MPOBDXBIHLGKSX-ZDUSSCGKSA-N 1 0 221.319 3.367 10 0 BGAERO Cc1cc(F)cc2c1CC[NH2+][C@H]2C(C)(C)C ZINC000052095666 178079791 /nfs/dbraw/zinc/07/97/91/178079791.db2.gz MPOBDXBIHLGKSX-CYBMUJFWSA-N 1 0 221.319 3.367 10 0 BGAERO CCOc1ccc2c(c1)[C@@H](C(C)(C)C)[NH2+]CC2 ZINC000052095672 170567763 /nfs/dbraw/zinc/56/77/63/170567763.db2.gz XWZVSSNDPQYUQA-AWEZNQCLSA-N 1 0 233.355 3.318 10 0 BGAERO CC(C)(C)[C@@H]1[NH2+]CCc2c(F)cccc21 ZINC000052095698 188332325 /nfs/dbraw/zinc/33/23/25/188332325.db2.gz DMWGSZNIRXWQCG-GFCCVEGCSA-N 1 0 207.292 3.059 10 0 BGAERO CC(C)(C)[C@H]1[NH2+]CCc2c(F)cc(F)cc21 ZINC000052095709 188299701 /nfs/dbraw/zinc/29/97/01/188299701.db2.gz TUFADBVXIDSZCM-LBPRGKRZSA-N 1 0 225.282 3.198 10 0 BGAERO CC(C)(C)[C@@H]1[NH2+]CCc2c(F)cc(F)cc21 ZINC000052095710 188126077 /nfs/dbraw/zinc/12/60/77/188126077.db2.gz TUFADBVXIDSZCM-GFCCVEGCSA-N 1 0 225.282 3.198 10 0 BGAERO CC(C)(C)[C@H]1[NH2+]CCc2c(F)ccc(F)c21 ZINC000052095715 188299729 /nfs/dbraw/zinc/29/97/29/188299729.db2.gz IQVVWSNFCBGPAR-LBPRGKRZSA-N 1 0 225.282 3.198 10 0 BGAERO Cc1cc(F)cc2c1CC[NH2+][C@@H]2CC(C)C ZINC000052095721 178079052 /nfs/dbraw/zinc/07/90/52/178079052.db2.gz KFOPOASJKGXCQG-CQSZACIVSA-N 1 0 221.319 3.367 10 0 BGAERO Cc1cc(F)cc2c1CC[NH2+][C@H]2CC(C)C ZINC000052095722 178081054 /nfs/dbraw/zinc/08/10/54/178081054.db2.gz KFOPOASJKGXCQG-AWEZNQCLSA-N 1 0 221.319 3.367 10 0 BGAERO CC(C)C[C@H]1[NH2+]CCc2ccc(F)cc21 ZINC000052095747 187299891 /nfs/dbraw/zinc/29/98/91/187299891.db2.gz NTXDXAQNOGAKEH-CYBMUJFWSA-N 1 0 207.292 3.059 10 0 BGAERO CC(C)C[C@@H]1[NH2+]CCc2ccc(F)cc21 ZINC000052095748 188157409 /nfs/dbraw/zinc/15/74/09/188157409.db2.gz NTXDXAQNOGAKEH-ZDUSSCGKSA-N 1 0 207.292 3.059 10 0 BGAERO CC(C)C[C@H]1[NH2+]CCc2c(F)cc(F)cc21 ZINC000052095765 187954088 /nfs/dbraw/zinc/95/40/88/187954088.db2.gz KLHASMFTLKJDAX-CYBMUJFWSA-N 1 0 225.282 3.198 10 0 BGAERO CC(C)C[C@@H]1[NH2+]CCc2c(F)cc(F)cc21 ZINC000052095766 187271635 /nfs/dbraw/zinc/27/16/35/187271635.db2.gz KLHASMFTLKJDAX-ZDUSSCGKSA-N 1 0 225.282 3.198 10 0 BGAERO CCCC[N@H+](CC)C[C@](C)(O)c1ccccc1 ZINC000052096899 632071597 /nfs/dbraw/zinc/07/15/97/632071597.db2.gz FTNAFWBBISAVCV-HNNXBMFYSA-N 1 0 235.371 3.016 10 0 BGAERO CCCC[N@H+](CC)C[C@@](C)(O)c1ccccc1 ZINC000052096900 632071739 /nfs/dbraw/zinc/07/17/39/632071739.db2.gz FTNAFWBBISAVCV-OAHLLOKOSA-N 1 0 235.371 3.016 10 0 BGAERO CCC[NH+](CCC)C[C@](C)(O)c1ccccc1 ZINC000052096929 169148492 /nfs/dbraw/zinc/14/84/92/169148492.db2.gz NZIYHGOJPIQRDX-HNNXBMFYSA-N 1 0 235.371 3.016 10 0 BGAERO CCC[NH+](CCC)C[C@@](C)(O)c1ccccc1 ZINC000052096930 169148343 /nfs/dbraw/zinc/14/83/43/169148343.db2.gz NZIYHGOJPIQRDX-OAHLLOKOSA-N 1 0 235.371 3.016 10 0 BGAERO CCC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000052097145 632071109 /nfs/dbraw/zinc/07/11/09/632071109.db2.gz YAEYZLFHMLXCHL-INIZCTEOSA-N 1 0 247.382 3.016 10 0 BGAERO CCC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000052097146 632071551 /nfs/dbraw/zinc/07/15/51/632071551.db2.gz YAEYZLFHMLXCHL-MRXNPFEDSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)[C@@H]1C ZINC000052097489 176100094 /nfs/dbraw/zinc/10/00/94/176100094.db2.gz MWRBVXVFUBXACK-FMKPAKJESA-N 1 0 247.382 3.015 10 0 BGAERO Cc1cccc(-n2c(N)[nH+]c3ccc(F)cc32)c1 ZINC000052122876 179000557 /nfs/dbraw/zinc/00/05/57/179000557.db2.gz DOSICLCTIHDZGQ-UHFFFAOYSA-N 1 0 241.269 3.055 10 0 BGAERO Nc1[nH+]c2ccc(F)cc2n1C(C1CC1)C1CC1 ZINC000052123048 181792642 /nfs/dbraw/zinc/79/26/42/181792642.db2.gz WYCAHEDPESTJKN-UHFFFAOYSA-N 1 0 245.301 3.119 10 0 BGAERO CCC[C@](C)([NH3+])c1nc2ccc(F)cc2n1CC ZINC000052124640 169548823 /nfs/dbraw/zinc/54/88/23/169548823.db2.gz BLNYGRSZLJNOOJ-AWEZNQCLSA-N 1 0 249.333 3.169 10 0 BGAERO CCCn1c2cc(F)ccc2nc1[C@H]1CCC[NH2+]1 ZINC000052124861 169615475 /nfs/dbraw/zinc/61/54/75/169615475.db2.gz HRZIVWJBVUNUSC-GFCCVEGCSA-N 1 0 247.317 3.010 10 0 BGAERO Cc1occc1[C@@H]([NH3+])Cc1cccc(C)c1 ZINC000052127120 179105401 /nfs/dbraw/zinc/10/54/01/179105401.db2.gz DJWIZYBDPGTLAV-AWEZNQCLSA-N 1 0 215.296 3.139 10 0 BGAERO Cc1occc1[C@H]([NH3+])Cc1cccc(C)c1 ZINC000052127121 179104027 /nfs/dbraw/zinc/10/40/27/179104027.db2.gz DJWIZYBDPGTLAV-CQSZACIVSA-N 1 0 215.296 3.139 10 0 BGAERO Cc1ccc([C@@H]([NH3+])Cc2cccc(C)c2)o1 ZINC000052127143 179106537 /nfs/dbraw/zinc/10/65/37/179106537.db2.gz DXADEOCAOOLOMA-ZDUSSCGKSA-N 1 0 215.296 3.139 10 0 BGAERO Cc1ccc([C@H]([NH3+])Cc2cccc(C)c2)o1 ZINC000052127144 179104648 /nfs/dbraw/zinc/10/46/48/179104648.db2.gz DXADEOCAOOLOMA-CYBMUJFWSA-N 1 0 215.296 3.139 10 0 BGAERO C[NH2+][C@@H](Cc1cccc(C)c1)c1ccco1 ZINC000052127375 343319439 /nfs/dbraw/zinc/31/94/39/343319439.db2.gz XJFMIWKQWAGJBP-ZDUSSCGKSA-N 1 0 215.296 3.091 10 0 BGAERO C[NH2+][C@H](Cc1cccc(C)c1)c1ccco1 ZINC000052127376 343319402 /nfs/dbraw/zinc/31/94/02/343319402.db2.gz XJFMIWKQWAGJBP-CYBMUJFWSA-N 1 0 215.296 3.091 10 0 BGAERO CCC[NH2+][C@@H](CCOCC)Cc1cccc(C)c1 ZINC000052127578 169277926 /nfs/dbraw/zinc/27/79/26/169277926.db2.gz FAFWFDBCGPBMPF-INIZCTEOSA-N 1 0 249.398 3.332 10 0 BGAERO CCC[NH2+][C@H](CCOCC)Cc1cccc(C)c1 ZINC000052127579 169289224 /nfs/dbraw/zinc/28/92/24/169289224.db2.gz FAFWFDBCGPBMPF-MRXNPFEDSA-N 1 0 249.398 3.332 10 0 BGAERO COc1ccc([C@H]([NH3+])c2cc(F)ccc2C)cc1 ZINC000052139019 175192731 /nfs/dbraw/zinc/19/27/31/175192731.db2.gz LUKXIGZXYXMNBM-HNNXBMFYSA-N 1 0 245.297 3.191 10 0 BGAERO C[C@H]([NH3+])[C@H](OCC1CCCCC1)c1ccccn1 ZINC000052147669 176771210 /nfs/dbraw/zinc/77/12/10/176771210.db2.gz RUNHZKCCYFUGGE-WFASDCNBSA-N 1 0 248.370 3.067 10 0 BGAERO C[C@H]([NH3+])[C@@H](OCC1CCCCC1)c1ccccn1 ZINC000052147674 176765214 /nfs/dbraw/zinc/76/52/14/176765214.db2.gz RUNHZKCCYFUGGE-SWLSCSKDSA-N 1 0 248.370 3.067 10 0 BGAERO CC[NH2+]C[C@H](OC1CCC1)c1ccccc1F ZINC000052147888 170122570 /nfs/dbraw/zinc/12/25/70/170122570.db2.gz RGKKAZMYHSNGFQ-AWEZNQCLSA-N 1 0 237.318 3.045 10 0 BGAERO CC[NH2+]C[C@@H](OC1CCC1)c1ccccc1F ZINC000052147891 170119611 /nfs/dbraw/zinc/11/96/11/170119611.db2.gz RGKKAZMYHSNGFQ-CQSZACIVSA-N 1 0 237.318 3.045 10 0 BGAERO Cc1ccccc1[C@H](C[NH2+]C1CC1)OC1CCC1 ZINC000052148340 179342505 /nfs/dbraw/zinc/34/25/05/179342505.db2.gz YSIQCHVIMCLNOP-INIZCTEOSA-N 1 0 245.366 3.357 10 0 BGAERO Fc1ccc([C@H](C[NH2+]C2CC2)OC2CCC2)cc1 ZINC000052148485 180983985 /nfs/dbraw/zinc/98/39/85/180983985.db2.gz LJDQCSMQDBEMJA-HNNXBMFYSA-N 1 0 249.329 3.188 10 0 BGAERO CCC[NH2+]C[C@H](OC1CCC1)c1ccccc1 ZINC000052148622 169264639 /nfs/dbraw/zinc/26/46/39/169264639.db2.gz XYNHCKATACYDGO-HNNXBMFYSA-N 1 0 233.355 3.296 10 0 BGAERO CCC[NH2+]C[C@@H](OC1CCC1)c1ccccc1 ZINC000052148625 169262567 /nfs/dbraw/zinc/26/25/67/169262567.db2.gz XYNHCKATACYDGO-OAHLLOKOSA-N 1 0 233.355 3.296 10 0 BGAERO CC(C)[NH2+]C[C@H](OC1CCC1)c1ccccc1 ZINC000052148628 167114692 /nfs/dbraw/zinc/11/46/92/167114692.db2.gz XQIDNZUXLGRYAN-HNNXBMFYSA-N 1 0 233.355 3.295 10 0 BGAERO CC(C)[NH2+]C[C@@H](OC1CCC1)c1ccccc1 ZINC000052148630 167112198 /nfs/dbraw/zinc/11/21/98/167112198.db2.gz XQIDNZUXLGRYAN-OAHLLOKOSA-N 1 0 233.355 3.295 10 0 BGAERO CC1CCC(C[NH3+])(OCC2CCCCC2)CC1 ZINC000052150178 168153839 /nfs/dbraw/zinc/15/38/39/168153839.db2.gz WEYXAESEZBUUJM-UHFFFAOYSA-N 1 0 239.403 3.491 10 0 BGAERO C[C@@H]1CCC[C@@](C[NH3+])(OCC2CCCCC2)C1 ZINC000052150204 176133895 /nfs/dbraw/zinc/13/38/95/176133895.db2.gz JTSCUZMALIWFJU-UKRRQHHQSA-N 1 0 239.403 3.491 10 0 BGAERO C[C@H]1CCC[C@@](C[NH3+])(OCC2CCCCC2)C1 ZINC000052150206 177128001 /nfs/dbraw/zinc/12/80/01/177128001.db2.gz JTSCUZMALIWFJU-DZGCQCFKSA-N 1 0 239.403 3.491 10 0 BGAERO C[C@@H]1CCC[C@](C[NH3+])(OCC2CCCCC2)C1 ZINC000052150209 176152529 /nfs/dbraw/zinc/15/25/29/176152529.db2.gz JTSCUZMALIWFJU-HIFRSBDPSA-N 1 0 239.403 3.491 10 0 BGAERO C[C@H]1CCC[C@](C[NH3+])(OCC2CCCCC2)C1 ZINC000052150212 177143377 /nfs/dbraw/zinc/14/33/77/177143377.db2.gz JTSCUZMALIWFJU-ZFWWWQNUSA-N 1 0 239.403 3.491 10 0 BGAERO Cc1ccc(C(N)=[NH2+])c(OCC2CCCCC2)c1 ZINC000052154708 178368762 /nfs/dbraw/zinc/36/87/62/178368762.db2.gz TUZHDNNRAUOXKI-UHFFFAOYSA-N 1 0 246.354 3.238 10 0 BGAERO CCC1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000052172210 168515457 /nfs/dbraw/zinc/51/54/57/168515457.db2.gz LXUPCLVPFOAKSO-UHFFFAOYSA-N 1 0 239.403 3.219 10 0 BGAERO CCCC[C@@H](CC)C[NH2+]CC1CCOCC1 ZINC000052175569 168959099 /nfs/dbraw/zinc/95/90/99/168959099.db2.gz PFZPGUNHWXWNQI-CYBMUJFWSA-N 1 0 227.392 3.219 10 0 BGAERO Cc1cccc(NCC[C@@H]2CCCC[N@H+]2C)c1 ZINC000052205136 188299538 /nfs/dbraw/zinc/29/95/38/188299538.db2.gz ZZULNHHREXLGCA-HNNXBMFYSA-N 1 0 232.371 3.281 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1CCNc1ccc(F)cc1 ZINC000052205334 173003866 /nfs/dbraw/zinc/00/38/66/173003866.db2.gz NDDJUYNFMZDWAX-CQSZACIVSA-N 1 0 236.334 3.112 10 0 BGAERO C[N@@H+]1CCCC[C@H]1CCNc1ccc(F)cc1 ZINC000052205337 173006723 /nfs/dbraw/zinc/00/67/23/173006723.db2.gz NDDJUYNFMZDWAX-AWEZNQCLSA-N 1 0 236.334 3.112 10 0 BGAERO COc1ccc2cc(C[NH2+]C3CCC3)ccc2c1 ZINC000052206740 175224531 /nfs/dbraw/zinc/22/45/31/175224531.db2.gz MQXZQWLRFJSJMQ-UHFFFAOYSA-N 1 0 241.334 3.491 10 0 BGAERO Cc1cc(C)c(C[NH2+]C2CCC2)c(C)c1 ZINC000052206844 177861186 /nfs/dbraw/zinc/86/11/86/177861186.db2.gz OLMXFFMFSYLVNL-UHFFFAOYSA-N 1 0 203.329 3.254 10 0 BGAERO COc1ccc(C2CC([NH2+]C3CCC3)C2)cc1 ZINC000052207996 175085395 /nfs/dbraw/zinc/08/53/95/175085395.db2.gz MUOUVNZLSQWBBU-UHFFFAOYSA-N 1 0 231.339 3.083 10 0 BGAERO COc1ccc([C@@H]([NH2+]C2CCC2)C2CC2)cc1 ZINC000052208310 536890291 /nfs/dbraw/zinc/89/02/91/536890291.db2.gz JAFKPUSGMKUEPW-HNNXBMFYSA-N 1 0 231.339 3.288 10 0 BGAERO O[C@H](C[NH2+]C1CCC1)c1ccc2ccccc2c1 ZINC000052209890 183223108 /nfs/dbraw/zinc/22/31/08/183223108.db2.gz QNSWOJAOCAWLNH-MRXNPFEDSA-N 1 0 241.334 3.015 10 0 BGAERO O[C@@H](C[NH2+]C1CCC1)c1ccc2ccccc2c1 ZINC000052209893 183178193 /nfs/dbraw/zinc/17/81/93/183178193.db2.gz QNSWOJAOCAWLNH-INIZCTEOSA-N 1 0 241.334 3.015 10 0 BGAERO Cc1cc2c(n1C1CCC1)CC(C)(C)C[C@@H]2[NH3+] ZINC000052213953 178293280 /nfs/dbraw/zinc/29/32/80/178293280.db2.gz GXIFXCWQDNMNAL-ZDUSSCGKSA-N 1 0 232.371 3.494 10 0 BGAERO Cc1cc2c(n1C1CCC1)CC(C)(C)C[C@H]2[NH3+] ZINC000052213956 178293043 /nfs/dbraw/zinc/29/30/43/178293043.db2.gz GXIFXCWQDNMNAL-CYBMUJFWSA-N 1 0 232.371 3.494 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1cccc(Br)c1 ZINC000052231892 350963160 /nfs/dbraw/zinc/96/31/60/350963160.db2.gz WBSWMSQOLQHVLV-SNVBAGLBSA-N 1 0 242.160 3.495 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000052231894 350963168 /nfs/dbraw/zinc/96/31/68/350963168.db2.gz WBSWMSQOLQHVLV-JTQLQIEISA-N 1 0 242.160 3.495 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccccn1)C(C)(C)C ZINC000052232037 169278857 /nfs/dbraw/zinc/27/88/57/169278857.db2.gz ASUGZJXTQMHQOZ-ZDUSSCGKSA-N 1 0 220.360 3.038 10 0 BGAERO CCC[NH2+][C@H](Cc1ccccn1)C(C)(C)C ZINC000052232040 169289883 /nfs/dbraw/zinc/28/98/83/169289883.db2.gz ASUGZJXTQMHQOZ-CYBMUJFWSA-N 1 0 220.360 3.038 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ccccc1Br ZINC000052232250 350963531 /nfs/dbraw/zinc/96/35/31/350963531.db2.gz QUVDWFMSDVUBRH-SNVBAGLBSA-N 1 0 242.160 3.495 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1ccccc1Br ZINC000052232252 350963304 /nfs/dbraw/zinc/96/33/04/350963304.db2.gz QUVDWFMSDVUBRH-JTQLQIEISA-N 1 0 242.160 3.495 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1Cl ZINC000052268897 322852870 /nfs/dbraw/zinc/85/28/70/322852870.db2.gz UKZPEZCNGYINJL-PTRXPTGYSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1Cl ZINC000052268899 384709216 /nfs/dbraw/zinc/70/92/16/384709216.db2.gz UKZPEZCNGYINJL-AUTRQRHGSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1Cl ZINC000052268901 322852925 /nfs/dbraw/zinc/85/29/25/322852925.db2.gz UKZPEZCNGYINJL-VDDIYKPWSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1Cl ZINC000052268903 322852930 /nfs/dbraw/zinc/85/29/30/322852930.db2.gz UKZPEZCNGYINJL-HOTUBEGUSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000052268917 385713473 /nfs/dbraw/zinc/71/34/73/385713473.db2.gz ZMNNVFREGUYBAU-XCBNKYQSSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000052268919 177349622 /nfs/dbraw/zinc/34/96/22/177349622.db2.gz ZMNNVFREGUYBAU-XVKPBYJWSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000052268922 385712783 /nfs/dbraw/zinc/71/27/83/385712783.db2.gz ZMNNVFREGUYBAU-GMSGAONNSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cccc(Cl)c1Cl ZINC000052268925 177385720 /nfs/dbraw/zinc/38/57/20/177385720.db2.gz ZMNNVFREGUYBAU-OIBJUYFYSA-N 1 0 230.138 3.491 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052269010 384708806 /nfs/dbraw/zinc/70/88/06/384708806.db2.gz TVBTUCCYHUYLAJ-COPLHBTASA-N 1 0 203.329 3.308 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052269017 384708900 /nfs/dbraw/zinc/70/89/00/384708900.db2.gz TVBTUCCYHUYLAJ-MJVIPROJSA-N 1 0 203.329 3.308 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000052269138 384709923 /nfs/dbraw/zinc/70/99/23/384709923.db2.gz RHWQJZREJLEILD-SGMGOOAPSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000052269144 322852868 /nfs/dbraw/zinc/85/28/68/322852868.db2.gz RHWQJZREJLEILD-OBJOEFQTSA-N 1 0 203.329 3.362 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000052269169 322852888 /nfs/dbraw/zinc/85/28/88/322852888.db2.gz BZUKCXMTUKBCQX-RISCZKNCSA-N 1 0 217.356 3.482 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000052269173 322852818 /nfs/dbraw/zinc/85/28/18/322852818.db2.gz BZUKCXMTUKBCQX-FZMZJTMJSA-N 1 0 217.356 3.482 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000052269176 384708845 /nfs/dbraw/zinc/70/88/45/384708845.db2.gz BZUKCXMTUKBCQX-BXUZGUMPSA-N 1 0 217.356 3.482 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC000052269179 322852755 /nfs/dbraw/zinc/85/27/55/322852755.db2.gz BZUKCXMTUKBCQX-SMDDNHRTSA-N 1 0 217.356 3.482 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000052269181 176404547 /nfs/dbraw/zinc/40/45/47/176404547.db2.gz ZPOSKNGAYBYAOJ-ABAIWWIYSA-N 1 0 211.308 3.338 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000052269184 177349871 /nfs/dbraw/zinc/34/98/71/177349871.db2.gz ZPOSKNGAYBYAOJ-NHYWBVRUSA-N 1 0 211.308 3.338 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000052269187 632114591 /nfs/dbraw/zinc/11/45/91/632114591.db2.gz ZPOSKNGAYBYAOJ-IAQYHMDHSA-N 1 0 211.308 3.338 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc2ccccc2c1 ZINC000052269190 177385372 /nfs/dbraw/zinc/38/53/72/177385372.db2.gz ZPOSKNGAYBYAOJ-XHDPSFHLSA-N 1 0 211.308 3.338 10 0 BGAERO COc1ccc2cc(C[NH2+][C@H]3C[C@H]3C)ccc2c1 ZINC000052269206 175224668 /nfs/dbraw/zinc/22/46/68/175224668.db2.gz DFQKEDUTIHCMLQ-BZNIZROVSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc2cc(C[NH2+][C@H]3C[C@@H]3C)ccc2c1 ZINC000052269208 175224665 /nfs/dbraw/zinc/22/46/65/175224665.db2.gz DFQKEDUTIHCMLQ-ZBEGNZNMSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc2cc(C[NH2+][C@@H]3C[C@H]3C)ccc2c1 ZINC000052269211 175225189 /nfs/dbraw/zinc/22/51/89/175225189.db2.gz DFQKEDUTIHCMLQ-BDJLRTHQSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc2cc(C[NH2+][C@@H]3C[C@@H]3C)ccc2c1 ZINC000052269214 175225184 /nfs/dbraw/zinc/22/51/84/175225184.db2.gz DFQKEDUTIHCMLQ-MEDUHNTESA-N 1 0 241.334 3.346 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000052269274 176404076 /nfs/dbraw/zinc/40/40/76/176404076.db2.gz CACXXYPEKLRNMX-ABAIWWIYSA-N 1 0 211.308 3.338 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc2ccccc21 ZINC000052269277 177349699 /nfs/dbraw/zinc/34/96/99/177349699.db2.gz CACXXYPEKLRNMX-NHYWBVRUSA-N 1 0 211.308 3.338 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000052269278 176446022 /nfs/dbraw/zinc/44/60/22/176446022.db2.gz CACXXYPEKLRNMX-IAQYHMDHSA-N 1 0 211.308 3.338 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cccc2ccccc21 ZINC000052269281 177385607 /nfs/dbraw/zinc/38/56/07/177385607.db2.gz CACXXYPEKLRNMX-XHDPSFHLSA-N 1 0 211.308 3.338 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000052269408 632114667 /nfs/dbraw/zinc/11/46/67/632114667.db2.gz TXQXAADZORXTAR-HQJQHLMTSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000052269411 177349796 /nfs/dbraw/zinc/34/97/96/177349796.db2.gz TXQXAADZORXTAR-CPCISQLKSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000052269414 385712660 /nfs/dbraw/zinc/71/26/60/385712660.db2.gz TXQXAADZORXTAR-RDDDGLTNSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c(Cl)c1 ZINC000052269417 177385879 /nfs/dbraw/zinc/38/58/79/177385879.db2.gz TXQXAADZORXTAR-WRWORJQWSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000052269429 176404626 /nfs/dbraw/zinc/40/46/26/176404626.db2.gz ZSGSHBVSUYACEQ-KCJUWKMLSA-N 1 0 229.245 3.203 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000052269432 177349697 /nfs/dbraw/zinc/34/96/97/177349697.db2.gz ZSGSHBVSUYACEQ-KWQFWETISA-N 1 0 229.245 3.203 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000052269434 384723943 /nfs/dbraw/zinc/72/39/43/384723943.db2.gz ZSGSHBVSUYACEQ-LDYMZIIASA-N 1 0 229.245 3.203 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccccc1C(F)(F)F ZINC000052269438 177385480 /nfs/dbraw/zinc/38/54/80/177385480.db2.gz ZSGSHBVSUYACEQ-GZMMTYOYSA-N 1 0 229.245 3.203 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000052269465 384725676 /nfs/dbraw/zinc/72/56/76/384725676.db2.gz ZKBORZIMLLKIRQ-KCJUWKMLSA-N 1 0 229.245 3.203 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000052269466 177349657 /nfs/dbraw/zinc/34/96/57/177349657.db2.gz ZKBORZIMLLKIRQ-KWQFWETISA-N 1 0 229.245 3.203 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000052269469 384725581 /nfs/dbraw/zinc/72/55/81/384725581.db2.gz ZKBORZIMLLKIRQ-LDYMZIIASA-N 1 0 229.245 3.203 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cccc(C(F)(F)F)c1 ZINC000052269472 177385331 /nfs/dbraw/zinc/38/53/31/177385331.db2.gz ZKBORZIMLLKIRQ-GZMMTYOYSA-N 1 0 229.245 3.203 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H]2C)c(C)c1 ZINC000052269589 384712914 /nfs/dbraw/zinc/71/29/14/384712914.db2.gz CVHBGNRDDSIOKT-GXTWGEPZSA-N 1 0 203.329 3.110 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H]2C)c(C)c1 ZINC000052269592 322852890 /nfs/dbraw/zinc/85/28/90/322852890.db2.gz CVHBGNRDDSIOKT-JSGCOSHPSA-N 1 0 203.329 3.110 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]2C)c(C)c1 ZINC000052269595 322852883 /nfs/dbraw/zinc/85/28/83/322852883.db2.gz CVHBGNRDDSIOKT-TZMCWYRMSA-N 1 0 203.329 3.110 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2C[C@H]2C)c(C)c1 ZINC000052269597 384711757 /nfs/dbraw/zinc/71/17/57/384711757.db2.gz CVHBGNRDDSIOKT-OCCSQVGLSA-N 1 0 203.329 3.110 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000052269921 385712994 /nfs/dbraw/zinc/71/29/94/385712994.db2.gz FMLHDEJAGYJQPN-HQJQHLMTSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000052269924 385712712 /nfs/dbraw/zinc/71/27/12/385712712.db2.gz FMLHDEJAGYJQPN-CPCISQLKSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000052269926 385712686 /nfs/dbraw/zinc/71/26/86/385712686.db2.gz FMLHDEJAGYJQPN-RDDDGLTNSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cc1Cl ZINC000052269930 322852737 /nfs/dbraw/zinc/85/27/37/322852737.db2.gz FMLHDEJAGYJQPN-WRWORJQWSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000052270085 387804583 /nfs/dbraw/zinc/80/45/83/387804583.db2.gz SCLJJOAZYAIFLG-SCZZXKLOSA-N 1 0 245.244 3.083 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000052270089 177349604 /nfs/dbraw/zinc/34/96/04/177349604.db2.gz SCLJJOAZYAIFLG-WPRPVWTQSA-N 1 0 245.244 3.083 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000052270092 387805291 /nfs/dbraw/zinc/80/52/91/387805291.db2.gz SCLJJOAZYAIFLG-PSASIEDQSA-N 1 0 245.244 3.083 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccccc1OC(F)(F)F ZINC000052270094 177385855 /nfs/dbraw/zinc/38/58/55/177385855.db2.gz SCLJJOAZYAIFLG-WCBMZHEXSA-N 1 0 245.244 3.083 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000052270096 632115142 /nfs/dbraw/zinc/11/51/42/632115142.db2.gz IODYITGUSQWSBM-KCJUWKMLSA-N 1 0 245.244 3.083 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000052270101 177349803 /nfs/dbraw/zinc/34/98/03/177349803.db2.gz IODYITGUSQWSBM-KWQFWETISA-N 1 0 245.244 3.083 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000052270103 632114146 /nfs/dbraw/zinc/11/41/46/632114146.db2.gz IODYITGUSQWSBM-LDYMZIIASA-N 1 0 245.244 3.083 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(OC(F)(F)F)cc1 ZINC000052270105 177385922 /nfs/dbraw/zinc/38/59/22/177385922.db2.gz IODYITGUSQWSBM-GZMMTYOYSA-N 1 0 245.244 3.083 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000052270118 384724490 /nfs/dbraw/zinc/72/44/90/384724490.db2.gz DGGYSDORUUCXSG-KCJUWKMLSA-N 1 0 229.245 3.203 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000052270121 177350422 /nfs/dbraw/zinc/35/04/22/177350422.db2.gz DGGYSDORUUCXSG-KWQFWETISA-N 1 0 229.245 3.203 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000052270123 176446567 /nfs/dbraw/zinc/44/65/67/176446567.db2.gz DGGYSDORUUCXSG-LDYMZIIASA-N 1 0 229.245 3.203 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000052270126 177385358 /nfs/dbraw/zinc/38/53/58/177385358.db2.gz DGGYSDORUUCXSG-GZMMTYOYSA-N 1 0 229.245 3.203 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052270129 384712104 /nfs/dbraw/zinc/71/21/04/384712104.db2.gz ROHPBDMOCPIYJW-RISCZKNCSA-N 1 0 203.329 3.308 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052270133 322852824 /nfs/dbraw/zinc/85/28/24/322852824.db2.gz ROHPBDMOCPIYJW-FZMZJTMJSA-N 1 0 203.329 3.308 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052270135 322852866 /nfs/dbraw/zinc/85/28/66/322852866.db2.gz ROHPBDMOCPIYJW-BXUZGUMPSA-N 1 0 203.329 3.308 10 0 BGAERO CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052270138 322852833 /nfs/dbraw/zinc/85/28/33/322852833.db2.gz ROHPBDMOCPIYJW-SMDDNHRTSA-N 1 0 203.329 3.308 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000052270177 385713136 /nfs/dbraw/zinc/71/31/36/385713136.db2.gz BDBJWJXDDDYMRB-PTRXPTGYSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000052270180 385713566 /nfs/dbraw/zinc/71/35/66/385713566.db2.gz BDBJWJXDDDYMRB-AUTRQRHGSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000052270182 322852828 /nfs/dbraw/zinc/85/28/28/322852828.db2.gz BDBJWJXDDDYMRB-VDDIYKPWSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000052270186 385712609 /nfs/dbraw/zinc/71/26/09/385712609.db2.gz BDBJWJXDDDYMRB-HOTUBEGUSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000052270188 384725951 /nfs/dbraw/zinc/72/59/51/384725951.db2.gz NSGJTFWPPZBLTO-KCXAZCMYSA-N 1 0 238.334 3.169 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)c1ccccn1 ZINC000052270194 384725702 /nfs/dbraw/zinc/72/57/02/384725702.db2.gz NSGJTFWPPZBLTO-WQVCFCJDSA-N 1 0 238.334 3.169 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052270304 384724372 /nfs/dbraw/zinc/72/43/72/384724372.db2.gz WCJKAYFBKRWPPS-COPLHBTASA-N 1 0 219.328 3.144 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052270310 384725422 /nfs/dbraw/zinc/72/54/22/384725422.db2.gz WCJKAYFBKRWPPS-MJVIPROJSA-N 1 0 219.328 3.144 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000052270312 176404737 /nfs/dbraw/zinc/40/47/37/176404737.db2.gz YACWZNFBKQIQOW-JLLWLGSASA-N 1 0 219.353 3.222 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCSc2ccccc21 ZINC000052270316 385269809 /nfs/dbraw/zinc/26/98/09/385269809.db2.gz YACWZNFBKQIQOW-YUSALJHKSA-N 1 0 219.353 3.222 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)c(F)c1 ZINC000052270322 385269907 /nfs/dbraw/zinc/26/99/07/385269907.db2.gz ANRYILCJFSMZAY-LWINAJNOSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000052270325 385269864 /nfs/dbraw/zinc/26/98/64/385269864.db2.gz ANRYILCJFSMZAY-UBJUHAIHSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(F)c(F)c1 ZINC000052270327 385271521 /nfs/dbraw/zinc/27/15/21/385271521.db2.gz ANRYILCJFSMZAY-RGNHYFCHSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)c(F)c1 ZINC000052270329 385271636 /nfs/dbraw/zinc/27/16/36/385271636.db2.gz ANRYILCJFSMZAY-YVZVNANGSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000052270332 385270065 /nfs/dbraw/zinc/27/00/65/385270065.db2.gz SMYOWNCLIROTEU-LWINAJNOSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000052270335 385270754 /nfs/dbraw/zinc/27/07/54/385270754.db2.gz SMYOWNCLIROTEU-UBJUHAIHSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000052270337 385270409 /nfs/dbraw/zinc/27/04/09/385270409.db2.gz SMYOWNCLIROTEU-RGNHYFCHSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000052270339 385270443 /nfs/dbraw/zinc/27/04/43/385270443.db2.gz SMYOWNCLIROTEU-YVZVNANGSA-N 1 0 211.255 3.024 10 0 BGAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000052270357 358777012 /nfs/dbraw/zinc/77/70/12/358777012.db2.gz GPTLDYZGHIPQNF-GMXVVIOVSA-N 1 0 219.328 3.144 10 0 BGAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000052270362 358777109 /nfs/dbraw/zinc/77/71/09/358777109.db2.gz GPTLDYZGHIPQNF-GVXVVHGQSA-N 1 0 219.328 3.144 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OC)cc1 ZINC000052270439 384724506 /nfs/dbraw/zinc/72/45/06/384724506.db2.gz NHMCYEKEFYBCKV-LEWSCRJBSA-N 1 0 219.328 3.144 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(OC)cc1 ZINC000052270445 384726447 /nfs/dbraw/zinc/72/64/47/384726447.db2.gz NHMCYEKEFYBCKV-BPNCWPANSA-N 1 0 219.328 3.144 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000052270471 322852745 /nfs/dbraw/zinc/85/27/45/322852745.db2.gz APDUBTLFORBYBT-PTRXPTGYSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000052270473 322852839 /nfs/dbraw/zinc/85/28/39/322852839.db2.gz APDUBTLFORBYBT-AUTRQRHGSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000052270476 384712116 /nfs/dbraw/zinc/71/21/16/384712116.db2.gz APDUBTLFORBYBT-VDDIYKPWSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000052270479 384712425 /nfs/dbraw/zinc/71/24/25/384712425.db2.gz APDUBTLFORBYBT-HOTUBEGUSA-N 1 0 209.720 3.399 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000052270587 385271363 /nfs/dbraw/zinc/27/13/63/385271363.db2.gz RISGHRAVOXCTPR-LWINAJNOSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000052270590 385271623 /nfs/dbraw/zinc/27/16/23/385271623.db2.gz RISGHRAVOXCTPR-UBJUHAIHSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000052270592 385270814 /nfs/dbraw/zinc/27/08/14/385270814.db2.gz RISGHRAVOXCTPR-RGNHYFCHSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000052270595 385270392 /nfs/dbraw/zinc/27/03/92/385270392.db2.gz RISGHRAVOXCTPR-YVZVNANGSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000052270643 358777351 /nfs/dbraw/zinc/77/73/51/358777351.db2.gz KOZSDCWWVLLRMH-DFBGVHRSSA-N 1 0 215.340 3.452 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000052270649 134698236 /nfs/dbraw/zinc/69/82/36/134698236.db2.gz KOZSDCWWVLLRMH-KCPJHIHWSA-N 1 0 215.340 3.452 10 0 BGAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000052270790 175081259 /nfs/dbraw/zinc/08/12/59/175081259.db2.gz PHCJGQWBRORDLM-GMXVVIOVSA-N 1 0 219.328 3.063 10 0 BGAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000052270796 175081152 /nfs/dbraw/zinc/08/11/52/175081152.db2.gz PHCJGQWBRORDLM-GVXVVHGQSA-N 1 0 219.328 3.063 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ccco1)c1ccccc1 ZINC000052270864 176405256 /nfs/dbraw/zinc/40/52/56/176405256.db2.gz MKIQTKBRTXLYKK-ZLDLUXBVSA-N 1 0 227.307 3.367 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c(C)c1 ZINC000052270945 384713373 /nfs/dbraw/zinc/71/33/73/384713373.db2.gz YYWUHSNBPMXEFS-SGMGOOAPSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c(C)c1 ZINC000052270951 384712937 /nfs/dbraw/zinc/71/29/37/384712937.db2.gz YYWUHSNBPMXEFS-OBJOEFQTSA-N 1 0 203.329 3.362 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(C)cc1 ZINC000052271254 346303972 /nfs/dbraw/zinc/30/39/72/346303972.db2.gz CDNVILBOHOGCIE-FPMFFAJLSA-N 1 0 203.329 3.444 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(C)cc1 ZINC000052271260 346303717 /nfs/dbraw/zinc/30/37/17/346303717.db2.gz CDNVILBOHOGCIE-UBHSHLNASA-N 1 0 203.329 3.444 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000052271310 346303643 /nfs/dbraw/zinc/30/36/43/346303643.db2.gz XTFXXYCYMRVINP-TVYUQYBPSA-N 1 0 207.292 3.275 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)cc1 ZINC000052271315 346303894 /nfs/dbraw/zinc/30/38/94/346303894.db2.gz XTFXXYCYMRVINP-XDTLVQLUSA-N 1 0 207.292 3.275 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1OC(F)F ZINC000052271400 384728416 /nfs/dbraw/zinc/72/84/16/384728416.db2.gz DDHAUZIULMGYFU-YWVKMMECSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1OC(F)F ZINC000052271403 384729571 /nfs/dbraw/zinc/72/95/71/384729571.db2.gz DDHAUZIULMGYFU-QXEWZRGKSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1OC(F)F ZINC000052271405 384727469 /nfs/dbraw/zinc/72/74/69/384727469.db2.gz DDHAUZIULMGYFU-WCABBAIRSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1OC(F)F ZINC000052271408 384728947 /nfs/dbraw/zinc/72/89/47/384728947.db2.gz DDHAUZIULMGYFU-ATZCPNFKSA-N 1 0 241.281 3.347 10 0 BGAERO CSc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052271434 385270775 /nfs/dbraw/zinc/27/07/75/385270775.db2.gz FQUPXHMZNGYPCC-NRUUGDAUSA-N 1 0 221.369 3.468 10 0 BGAERO CSc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052271437 175578701 /nfs/dbraw/zinc/57/87/01/175578701.db2.gz FQUPXHMZNGYPCC-KWBADKCTSA-N 1 0 221.369 3.468 10 0 BGAERO CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052271439 385269798 /nfs/dbraw/zinc/26/97/98/385269798.db2.gz FQUPXHMZNGYPCC-GBIKHYSHSA-N 1 0 221.369 3.468 10 0 BGAERO CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052271442 385271752 /nfs/dbraw/zinc/27/17/52/385271752.db2.gz FQUPXHMZNGYPCC-OUJBWJOFSA-N 1 0 221.369 3.468 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1C ZINC000052271647 323052585 /nfs/dbraw/zinc/05/25/85/323052585.db2.gz NNJNHGYAZATTPA-SGMGOOAPSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1C ZINC000052271651 384713753 /nfs/dbraw/zinc/71/37/53/384713753.db2.gz NNJNHGYAZATTPA-OBJOEFQTSA-N 1 0 203.329 3.362 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000052271700 322853087 /nfs/dbraw/zinc/85/30/87/322853087.db2.gz LEDITOGBSRIAFT-CPCISQLKSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000052271702 322852992 /nfs/dbraw/zinc/85/29/92/322852992.db2.gz LEDITOGBSRIAFT-RDDDGLTNSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1c(Cl)cccc1Cl ZINC000052271704 322852988 /nfs/dbraw/zinc/85/29/88/322852988.db2.gz LEDITOGBSRIAFT-WRWORJQWSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000052271714 384728527 /nfs/dbraw/zinc/72/85/27/384728527.db2.gz CHCFHCVWBNCTNG-SVRRBLITSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000052271717 177349824 /nfs/dbraw/zinc/34/98/24/177349824.db2.gz CHCFHCVWBNCTNG-XPUUQOCRSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000052271719 384729223 /nfs/dbraw/zinc/72/92/23/384729223.db2.gz CHCFHCVWBNCTNG-HTRCEHHLSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000052271721 177385899 /nfs/dbraw/zinc/38/58/99/177385899.db2.gz CHCFHCVWBNCTNG-POYBYMJQSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc2ccccc2o1 ZINC000052271723 384728767 /nfs/dbraw/zinc/72/87/67/384728767.db2.gz OOSNHEXEXLOWSF-SCVCMEIPSA-N 1 0 215.296 3.492 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc2ccccc2o1 ZINC000052271725 384729925 /nfs/dbraw/zinc/72/99/25/384729925.db2.gz OOSNHEXEXLOWSF-NHCYSSNCSA-N 1 0 215.296 3.492 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc2ccccc2o1 ZINC000052271726 384727297 /nfs/dbraw/zinc/72/72/97/384727297.db2.gz OOSNHEXEXLOWSF-JFGNBEQYSA-N 1 0 215.296 3.492 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc2ccccc2o1 ZINC000052271728 384729452 /nfs/dbraw/zinc/72/94/52/384729452.db2.gz OOSNHEXEXLOWSF-JBLDHEPKSA-N 1 0 215.296 3.492 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000052271884 134699557 /nfs/dbraw/zinc/69/95/57/134699557.db2.gz CUMULUBRDNMVEH-HONMWMINSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2ccccc21 ZINC000052271888 134698207 /nfs/dbraw/zinc/69/82/07/134698207.db2.gz CUMULUBRDNMVEH-LERXQTSPSA-N 1 0 201.313 3.062 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000052272108 171543388 /nfs/dbraw/zinc/54/33/88/171543388.db2.gz KDAVAEVDAOCUBI-WCFLWFBJSA-N 1 0 249.354 3.153 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(OC)c(OC)c1 ZINC000052272113 384728454 /nfs/dbraw/zinc/72/84/54/384728454.db2.gz KDAVAEVDAOCUBI-DRZSPHRISA-N 1 0 249.354 3.153 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c(C)s1 ZINC000052272158 358777529 /nfs/dbraw/zinc/77/75/29/358777529.db2.gz GGWGLNMZOVRYRJ-QOSJWCAFSA-N 1 0 209.358 3.424 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c(C)s1 ZINC000052272162 349014182 /nfs/dbraw/zinc/01/41/82/349014182.db2.gz GGWGLNMZOVRYRJ-DXBFQKDVSA-N 1 0 209.358 3.424 10 0 BGAERO CCCCOc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000052272527 384712866 /nfs/dbraw/zinc/71/28/66/384712866.db2.gz FWYQOUHXOQVIKN-SWLSCSKDSA-N 1 0 233.355 3.364 10 0 BGAERO CCCCOc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000052272529 384713622 /nfs/dbraw/zinc/71/36/22/384713622.db2.gz FWYQOUHXOQVIKN-WFASDCNBSA-N 1 0 233.355 3.364 10 0 BGAERO CCCCOc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000052272530 384713375 /nfs/dbraw/zinc/71/33/75/384713375.db2.gz FWYQOUHXOQVIKN-IUODEOHRSA-N 1 0 233.355 3.364 10 0 BGAERO CCCCOc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000052272533 384713966 /nfs/dbraw/zinc/71/39/66/384713966.db2.gz FWYQOUHXOQVIKN-DOMZBBRYSA-N 1 0 233.355 3.364 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000052272613 384712555 /nfs/dbraw/zinc/71/25/55/384712555.db2.gz VDLKUTRSFOTQNV-PTRXPTGYSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000052272615 384713356 /nfs/dbraw/zinc/71/33/56/384713356.db2.gz VDLKUTRSFOTQNV-AUTRQRHGSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC(F)F)cc1 ZINC000052272616 384713777 /nfs/dbraw/zinc/71/37/77/384713777.db2.gz VDLKUTRSFOTQNV-VDDIYKPWSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(OC(F)F)cc1 ZINC000052272618 322853017 /nfs/dbraw/zinc/85/30/17/322853017.db2.gz VDLKUTRSFOTQNV-HOTUBEGUSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000052272635 134700095 /nfs/dbraw/zinc/70/00/95/134700095.db2.gz QIEAAPGXYGHDHE-ZETOZRRWSA-N 1 0 215.340 3.234 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000052272637 358777322 /nfs/dbraw/zinc/77/73/22/358777322.db2.gz QIEAAPGXYGHDHE-PGUXBMHVSA-N 1 0 215.340 3.234 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc2c(c1)CCC2 ZINC000052272639 358777255 /nfs/dbraw/zinc/77/72/55/358777255.db2.gz QIEAAPGXYGHDHE-JRPNMDOOSA-N 1 0 215.340 3.234 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000052272641 358777504 /nfs/dbraw/zinc/77/75/04/358777504.db2.gz QIEAAPGXYGHDHE-ZIBATOQPSA-N 1 0 215.340 3.234 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000052272699 176930325 /nfs/dbraw/zinc/93/03/25/176930325.db2.gz CRNPSENGAFNYBU-PTRXPTGYSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000052272701 176929353 /nfs/dbraw/zinc/92/93/53/176929353.db2.gz CRNPSENGAFNYBU-AUTRQRHGSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(OC(F)F)c1 ZINC000052272703 384729128 /nfs/dbraw/zinc/72/91/28/384729128.db2.gz CRNPSENGAFNYBU-VDDIYKPWSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(OC(F)F)c1 ZINC000052272705 384729709 /nfs/dbraw/zinc/72/97/09/384729709.db2.gz CRNPSENGAFNYBU-HOTUBEGUSA-N 1 0 241.281 3.347 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000052272738 384728384 /nfs/dbraw/zinc/72/83/84/384728384.db2.gz ZQLLNVSJRCLEMS-MUWHJKNJSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000052272740 177349960 /nfs/dbraw/zinc/34/99/60/177349960.db2.gz ZQLLNVSJRCLEMS-RCOVLWMOSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000052272742 385717277 /nfs/dbraw/zinc/71/72/77/385717277.db2.gz ZQLLNVSJRCLEMS-HZGVNTEJSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000052272744 177385427 /nfs/dbraw/zinc/38/54/27/177385427.db2.gz ZQLLNVSJRCLEMS-IMTBSYHQSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Cl)s1 ZINC000052272970 384728220 /nfs/dbraw/zinc/72/82/20/384728220.db2.gz JSSFMPDMAIICBZ-CSMHCCOUSA-N 1 0 215.749 3.461 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Cl)s1 ZINC000052272972 384727789 /nfs/dbraw/zinc/72/77/89/384727789.db2.gz JSSFMPDMAIICBZ-FXQIFTODSA-N 1 0 215.749 3.461 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Cl)s1 ZINC000052272974 384727609 /nfs/dbraw/zinc/72/76/09/384727609.db2.gz JSSFMPDMAIICBZ-GJMOJQLCSA-N 1 0 215.749 3.461 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Cl)s1 ZINC000052272976 384728464 /nfs/dbraw/zinc/72/84/64/384728464.db2.gz JSSFMPDMAIICBZ-BIIVOSGPSA-N 1 0 215.749 3.461 10 0 BGAERO COc1ccc2ccccc2c1C[NH2+][C@H]1C[C@H]1C ZINC000052272986 175226799 /nfs/dbraw/zinc/22/67/99/175226799.db2.gz CHLDLMWKAQQORF-ABAIWWIYSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc2ccccc2c1C[NH2+][C@H]1C[C@@H]1C ZINC000052272988 175226314 /nfs/dbraw/zinc/22/63/14/175226314.db2.gz CHLDLMWKAQQORF-NHYWBVRUSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc2ccccc2c1C[NH2+][C@@H]1C[C@H]1C ZINC000052272990 175226365 /nfs/dbraw/zinc/22/63/65/175226365.db2.gz CHLDLMWKAQQORF-IAQYHMDHSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc2ccccc2c1C[NH2+][C@@H]1C[C@@H]1C ZINC000052272992 175226351 /nfs/dbraw/zinc/22/63/51/175226351.db2.gz CHLDLMWKAQQORF-XHDPSFHLSA-N 1 0 241.334 3.346 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000052273119 177349711 /nfs/dbraw/zinc/34/97/11/177349711.db2.gz LFCDELZFWBZLLN-RCBQFDQVSA-N 1 0 238.334 3.169 10 0 BGAERO C[C@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)c1ccncc1 ZINC000052273123 177386067 /nfs/dbraw/zinc/38/60/67/177386067.db2.gz LFCDELZFWBZLLN-MAZHCROVSA-N 1 0 238.334 3.169 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000052273291 176405097 /nfs/dbraw/zinc/40/50/97/176405097.db2.gz ZJEDEPMFCXQCQB-SVRRBLITSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000052273293 177350198 /nfs/dbraw/zinc/35/01/98/177350198.db2.gz ZJEDEPMFCXQCQB-XPUUQOCRSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000052273294 176445908 /nfs/dbraw/zinc/44/59/08/176445908.db2.gz ZJEDEPMFCXQCQB-HTRCEHHLSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000052273295 177386186 /nfs/dbraw/zinc/38/61/86/177386186.db2.gz ZJEDEPMFCXQCQB-POYBYMJQSA-N 1 0 246.173 3.009 10 0 BGAERO CCc1oc2ccccc2c1C[NH2+][C@@H]1C[C@@H]1C ZINC000052273446 172113137 /nfs/dbraw/zinc/11/31/37/172113137.db2.gz JMHITTLDSFFWPG-GXFFZTMASA-N 1 0 229.323 3.493 10 0 BGAERO CCc1oc2ccccc2c1C[NH2+][C@H]1C[C@@H]1C ZINC000052273448 172112372 /nfs/dbraw/zinc/11/23/72/172112372.db2.gz JMHITTLDSFFWPG-GWCFXTLKSA-N 1 0 229.323 3.493 10 0 BGAERO CCc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H]1C ZINC000052273450 172111922 /nfs/dbraw/zinc/11/19/22/172111922.db2.gz JMHITTLDSFFWPG-ZWNOBZJWSA-N 1 0 229.323 3.493 10 0 BGAERO CCc1oc2ccccc2c1C[NH2+][C@H]1C[C@H]1C ZINC000052273453 172112780 /nfs/dbraw/zinc/11/27/80/172112780.db2.gz JMHITTLDSFFWPG-MFKMUULPSA-N 1 0 229.323 3.493 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000052273955 384728688 /nfs/dbraw/zinc/72/86/88/384728688.db2.gz QORCLJNSSNRBEG-XCBNKYQSSA-N 1 0 247.310 3.233 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000052273957 177350382 /nfs/dbraw/zinc/35/03/82/177350382.db2.gz QORCLJNSSNRBEG-XVKPBYJWSA-N 1 0 247.310 3.233 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000052273959 384727530 /nfs/dbraw/zinc/72/75/30/384727530.db2.gz QORCLJNSSNRBEG-GMSGAONNSA-N 1 0 247.310 3.233 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(CSC(F)F)o1 ZINC000052273961 177385387 /nfs/dbraw/zinc/38/53/87/177385387.db2.gz QORCLJNSSNRBEG-OIBJUYFYSA-N 1 0 247.310 3.233 10 0 BGAERO Cc1ccc([C@H]([NH2+][C@@H]2C[C@@H]2C)C2CC2)cc1 ZINC000052274217 384713288 /nfs/dbraw/zinc/71/32/88/384713288.db2.gz GKUSPKLKMXGTQA-GLQYFDAESA-N 1 0 215.340 3.444 10 0 BGAERO Cc1ccc([C@H]([NH2+][C@H]2C[C@@H]2C)C2CC2)cc1 ZINC000052274221 384713867 /nfs/dbraw/zinc/71/38/67/384713867.db2.gz GKUSPKLKMXGTQA-CQDKDKBSSA-N 1 0 215.340 3.444 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@@H]2C1 ZINC000052274302 632822859 /nfs/dbraw/zinc/82/28/59/632822859.db2.gz GAKBEIPLWWTBPY-ITGHMWBKSA-N 1 0 207.361 3.343 10 0 BGAERO COc1ccc([C@H]([NH2+][C@H]2C[C@H]2C)C2CC2)cc1 ZINC000052274356 175193567 /nfs/dbraw/zinc/19/35/67/175193567.db2.gz RBXGSHBVPXGOLX-WKPIXPDZSA-N 1 0 231.339 3.144 10 0 BGAERO COc1ccc([C@H]([NH2+][C@H]2C[C@@H]2C)C2CC2)cc1 ZINC000052274358 175193492 /nfs/dbraw/zinc/19/34/92/175193492.db2.gz RBXGSHBVPXGOLX-NZVBXONLSA-N 1 0 231.339 3.144 10 0 BGAERO COc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C)C2CC2)cc1 ZINC000052274360 175193043 /nfs/dbraw/zinc/19/30/43/175193043.db2.gz RBXGSHBVPXGOLX-VCTAVGKDSA-N 1 0 231.339 3.144 10 0 BGAERO COc1ccc([C@H]([NH2+][C@@H]2C[C@@H]2C)C2CC2)cc1 ZINC000052274362 175193345 /nfs/dbraw/zinc/19/33/45/175193345.db2.gz RBXGSHBVPXGOLX-COLVAYQJSA-N 1 0 231.339 3.144 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2C[C@@H]2C)cc1C ZINC000052274387 322853041 /nfs/dbraw/zinc/85/30/41/322853041.db2.gz KPOGCMLVARMNIU-GXTWGEPZSA-N 1 0 203.329 3.110 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2C[C@@H]2C)cc1C ZINC000052274389 322852996 /nfs/dbraw/zinc/85/29/96/322852996.db2.gz KPOGCMLVARMNIU-JSGCOSHPSA-N 1 0 203.329 3.110 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@@H]2C[C@H]2C)cc1C ZINC000052274391 322852980 /nfs/dbraw/zinc/85/29/80/322852980.db2.gz KPOGCMLVARMNIU-TZMCWYRMSA-N 1 0 203.329 3.110 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2C[C@H]2C)cc1C ZINC000052274393 384712605 /nfs/dbraw/zinc/71/26/05/384712605.db2.gz KPOGCMLVARMNIU-OCCSQVGLSA-N 1 0 203.329 3.110 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000052274456 632114717 /nfs/dbraw/zinc/11/47/17/632114717.db2.gz KHXDKVFOGQMKIN-FXAINCCUSA-N 1 0 237.343 3.361 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000052274459 632114400 /nfs/dbraw/zinc/11/44/00/632114400.db2.gz KHXDKVFOGQMKIN-GGZOMVNGSA-N 1 0 237.343 3.361 10 0 BGAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000052274537 487578050 /nfs/dbraw/zinc/57/80/50/487578050.db2.gz YLQRQXMSGVSAPR-GMXVVIOVSA-N 1 0 219.328 3.063 10 0 BGAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000052274541 487578016 /nfs/dbraw/zinc/57/80/16/487578016.db2.gz YLQRQXMSGVSAPR-GVXVVHGQSA-N 1 0 219.328 3.063 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000052274690 632114604 /nfs/dbraw/zinc/11/46/04/632114604.db2.gz GHAFLOPNNLLLHH-LEWSCRJBSA-N 1 0 231.339 3.071 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2c(c1)CCO2 ZINC000052274693 632114892 /nfs/dbraw/zinc/11/48/92/632114892.db2.gz GHAFLOPNNLLLHH-BPNCWPANSA-N 1 0 231.339 3.071 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000052274743 322853085 /nfs/dbraw/zinc/85/30/85/322853085.db2.gz ZFBIPJVVITXZHC-BIGNPOOSSA-N 1 0 219.303 3.275 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccc(F)cc1)C1CC1 ZINC000052274748 322852978 /nfs/dbraw/zinc/85/29/78/322852978.db2.gz ZFBIPJVVITXZHC-OWYVNGRQSA-N 1 0 219.303 3.275 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000052274865 322853033 /nfs/dbraw/zinc/85/30/33/322853033.db2.gz WXERAJDYPXVMJE-HQJQHLMTSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000052274866 322852985 /nfs/dbraw/zinc/85/29/85/322852985.db2.gz WXERAJDYPXVMJE-CPCISQLKSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000052274868 384713810 /nfs/dbraw/zinc/71/38/10/384713810.db2.gz WXERAJDYPXVMJE-RDDDGLTNSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Cl)cc(Cl)c1 ZINC000052274870 384712667 /nfs/dbraw/zinc/71/26/67/384712667.db2.gz WXERAJDYPXVMJE-WRWORJQWSA-N 1 0 230.138 3.491 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)s1 ZINC000052275149 322853090 /nfs/dbraw/zinc/85/30/90/322853090.db2.gz JPSOPJUWARMILK-ATZCPNFKSA-N 1 0 209.358 3.370 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)s1 ZINC000052275153 384713596 /nfs/dbraw/zinc/71/35/96/384713596.db2.gz JPSOPJUWARMILK-QXEWZRGKSA-N 1 0 209.358 3.370 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000052275154 385273120 /nfs/dbraw/zinc/27/31/20/385273120.db2.gz IAXLHQSFDIETDR-SWHYSGLUSA-N 1 0 201.313 3.136 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000052275158 385272955 /nfs/dbraw/zinc/27/29/55/385272955.db2.gz IAXLHQSFDIETDR-HONMWMINSA-N 1 0 201.313 3.136 10 0 BGAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000052275200 179061516 /nfs/dbraw/zinc/06/15/16/179061516.db2.gz MNCOORORXXLIRO-KCQAQPDRSA-N 1 0 217.356 3.314 10 0 BGAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000052275205 179062204 /nfs/dbraw/zinc/06/22/04/179062204.db2.gz MNCOORORXXLIRO-YDHLFZDLSA-N 1 0 217.356 3.314 10 0 BGAERO C[C@H](CC[NH2+][C@H]1C[C@H]1C)c1ccccc1 ZINC000052275501 385273297 /nfs/dbraw/zinc/27/32/97/385273297.db2.gz WQPLRRINRSUBBW-BZPMIXESSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@H](CC[NH2+][C@H]1C[C@@H]1C)c1ccccc1 ZINC000052275504 177349710 /nfs/dbraw/zinc/34/97/10/177349710.db2.gz WQPLRRINRSUBBW-DYEKYZERSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@H](CC[NH2+][C@@H]1C[C@H]1C)c1ccccc1 ZINC000052275507 385274348 /nfs/dbraw/zinc/27/43/48/385274348.db2.gz WQPLRRINRSUBBW-YRGRVCCFSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@H](CC[NH2+][C@@H]1C[C@@H]1C)c1ccccc1 ZINC000052275511 177385437 /nfs/dbraw/zinc/38/54/37/177385437.db2.gz WQPLRRINRSUBBW-MBNYWOFBSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1sccc1Br ZINC000052276981 176405387 /nfs/dbraw/zinc/40/53/87/176405387.db2.gz BEEUXUXEMOMOOZ-SVRRBLITSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1sccc1Br ZINC000052276984 177350260 /nfs/dbraw/zinc/35/02/60/177350260.db2.gz BEEUXUXEMOMOOZ-XPUUQOCRSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1sccc1Br ZINC000052276990 177386134 /nfs/dbraw/zinc/38/61/34/177386134.db2.gz BEEUXUXEMOMOOZ-POYBYMJQSA-N 1 0 246.173 3.009 10 0 BGAERO Cc1cc(N[C@@H]2C[C@@H]2C)c2ccccc2[nH+]1 ZINC000052291372 178183825 /nfs/dbraw/zinc/18/38/25/178183825.db2.gz SHTUYMVWBVCBAG-TVQRCGJNSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cc(N[C@H]2C[C@@H]2C)c2ccccc2[nH+]1 ZINC000052291375 178192396 /nfs/dbraw/zinc/19/23/96/178192396.db2.gz SHTUYMVWBVCBAG-ZANVPECISA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cc(N[C@@H]2C[C@H]2C)c2ccccc2[nH+]1 ZINC000052291378 178184774 /nfs/dbraw/zinc/18/47/74/178184774.db2.gz SHTUYMVWBVCBAG-NOZJJQNGSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cc(N[C@H]2C[C@H]2C)c2ccccc2[nH+]1 ZINC000052291380 178192159 /nfs/dbraw/zinc/19/21/59/178192159.db2.gz SHTUYMVWBVCBAG-RNCFNFMXSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1nc(-c2ccc(C)c(F)c2)sc1C[NH3+] ZINC000052329916 178333000 /nfs/dbraw/zinc/33/30/00/178333000.db2.gz QOKRAXFGGTWQAE-UHFFFAOYSA-N 1 0 236.315 3.025 10 0 BGAERO Cc1nc(-c2ccc(C)cc2F)sc1C[NH3+] ZINC000052329995 178332817 /nfs/dbraw/zinc/33/28/17/178332817.db2.gz FHYLOCWAHNCEEH-UHFFFAOYSA-N 1 0 236.315 3.025 10 0 BGAERO Cc1nc([C@@H]2CCC[C@H](C)C2)sc1C[NH3+] ZINC000052330010 180044019 /nfs/dbraw/zinc/04/40/19/180044019.db2.gz FDHRJZVAKPZQIO-WCBMZHEXSA-N 1 0 224.373 3.204 10 0 BGAERO Cc1nc([C@H]2CCC[C@H](C)C2)sc1C[NH3+] ZINC000052330013 180058298 /nfs/dbraw/zinc/05/82/98/180058298.db2.gz FDHRJZVAKPZQIO-WPRPVWTQSA-N 1 0 224.373 3.204 10 0 BGAERO Cc1nc([C@@H]2CCC[C@@H](C)C2)sc1C[NH3+] ZINC000052330014 180044742 /nfs/dbraw/zinc/04/47/42/180044742.db2.gz FDHRJZVAKPZQIO-PSASIEDQSA-N 1 0 224.373 3.204 10 0 BGAERO Cc1nc([C@H]2CCC[C@@H](C)C2)sc1C[NH3+] ZINC000052330017 180057929 /nfs/dbraw/zinc/05/79/29/180057929.db2.gz FDHRJZVAKPZQIO-SCZZXKLOSA-N 1 0 224.373 3.204 10 0 BGAERO CCc1ccc(-c2nc(C)c(C[NH2+]C)s2)cc1 ZINC000052330150 171779704 /nfs/dbraw/zinc/77/97/04/171779704.db2.gz YEFHWPWSQULQQH-UHFFFAOYSA-N 1 0 246.379 3.400 10 0 BGAERO CC[NH2+]Cc1sc(C2CCCC2)nc1C ZINC000052330247 170132425 /nfs/dbraw/zinc/13/24/25/170132425.db2.gz KKKHTBJINHYHFM-UHFFFAOYSA-N 1 0 224.373 3.219 10 0 BGAERO CC[NH2+]Cc1sc(Cc2ccccc2)nc1C ZINC000052330264 170132973 /nfs/dbraw/zinc/13/29/73/170132973.db2.gz PWEYWSZBXBNELQ-UHFFFAOYSA-N 1 0 246.379 3.152 10 0 BGAERO CC[NH2+]Cc1sc(-c2cccs2)nc1C ZINC000052330303 170132510 /nfs/dbraw/zinc/13/25/10/170132510.db2.gz JPJFXCAFXIIQJH-UHFFFAOYSA-N 1 0 238.381 3.290 10 0 BGAERO CC[NH2+]Cc1sc(-c2ccsc2)nc1C ZINC000052330346 170132484 /nfs/dbraw/zinc/13/24/84/170132484.db2.gz NBAGYENUKWJEKZ-UHFFFAOYSA-N 1 0 238.381 3.290 10 0 BGAERO Cc1nc(C(C)C)sc1C[NH2+]C(C)C ZINC000052330678 179897420 /nfs/dbraw/zinc/89/74/20/179897420.db2.gz HFCUTICXPSLSLF-UHFFFAOYSA-N 1 0 212.362 3.073 10 0 BGAERO Cc1nc(-c2cccnc2)sc1C[NH2+]C(C)C ZINC000052330689 179868453 /nfs/dbraw/zinc/86/84/53/179868453.db2.gz UFVRGYDDODIISZ-UHFFFAOYSA-N 1 0 247.367 3.012 10 0 BGAERO CC(C)c1ncc(C[NH2+]C(C)(C)C)s1 ZINC000052331422 188332917 /nfs/dbraw/zinc/33/29/17/188332917.db2.gz LSNXKAXBPGDEFN-UHFFFAOYSA-N 1 0 212.362 3.155 10 0 BGAERO CC[C@@H](Nc1cc[nH+]cc1N)C1CCCCC1 ZINC000052334932 170916788 /nfs/dbraw/zinc/91/67/88/170916788.db2.gz BSWUXXQECYONFI-CYBMUJFWSA-N 1 0 233.359 3.435 10 0 BGAERO CCn1cc[nH+]c1N[C@@H](C)C1CCCCC1 ZINC000052340853 172227777 /nfs/dbraw/zinc/22/77/77/172227777.db2.gz LWZNUPGCUJUEJX-NSHDSACASA-N 1 0 221.348 3.284 10 0 BGAERO CCn1cc[nH+]c1N[C@H](C)C1CCCCC1 ZINC000052340855 172227723 /nfs/dbraw/zinc/22/77/23/172227723.db2.gz LWZNUPGCUJUEJX-LLVKDONJSA-N 1 0 221.348 3.284 10 0 BGAERO C[C@H](NC1=[NH+][C@@H](C)CS1)C1CCCCC1 ZINC000052341601 177303372 /nfs/dbraw/zinc/30/33/72/177303372.db2.gz PLWMUTDPJFIHRW-UWVGGRQHSA-N 1 0 226.389 3.036 10 0 BGAERO C[C@@H](NC1=[NH+][C@H](C)CS1)C1CCCCC1 ZINC000052341603 176348960 /nfs/dbraw/zinc/34/89/60/176348960.db2.gz PLWMUTDPJFIHRW-NXEZZACHSA-N 1 0 226.389 3.036 10 0 BGAERO C[C@@H](NC1=[NH+][C@@H](C)CS1)C1CCCCC1 ZINC000052341606 177303112 /nfs/dbraw/zinc/30/31/12/177303112.db2.gz PLWMUTDPJFIHRW-VHSXEESVSA-N 1 0 226.389 3.036 10 0 BGAERO C[C@H](NC(=[NH2+])NC1CCCC1)C1CCCCC1 ZINC000052343805 176784526 /nfs/dbraw/zinc/78/45/26/176784526.db2.gz BLTNJPXHYVXSOR-NSHDSACASA-N 1 0 237.391 3.012 10 0 BGAERO CC[NH2+]C[C@H](CC)N(C)C1CCC(CC)CC1 ZINC000052345534 170121814 /nfs/dbraw/zinc/12/18/14/170121814.db2.gz HEZHDJARXDYQPN-SLTAFYQDSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+]C[C@@H](CC)N(C)C1CCC(CC)CC1 ZINC000052345535 170119306 /nfs/dbraw/zinc/11/93/06/170119306.db2.gz HEZHDJARXDYQPN-SHARSMKWSA-N 1 0 240.435 3.275 10 0 BGAERO Cc1cccc(CN(C)[C@@H](C)C[NH2+]CC(C)C)c1 ZINC000052345942 179070423 /nfs/dbraw/zinc/07/04/23/179070423.db2.gz VYBCHVLWJNDGDJ-HNNXBMFYSA-N 1 0 248.414 3.061 10 0 BGAERO Cc1cccc(CN(C)[C@H](C)C[NH2+]CC(C)C)c1 ZINC000052345943 179068810 /nfs/dbraw/zinc/06/88/10/179068810.db2.gz VYBCHVLWJNDGDJ-OAHLLOKOSA-N 1 0 248.414 3.061 10 0 BGAERO CC[NH2+]C[C@@H](C(C)C)N(C)CC1CCCCC1 ZINC000052346662 170118001 /nfs/dbraw/zinc/11/80/01/170118001.db2.gz JPYDBHJFXJGPOV-HNNXBMFYSA-N 1 0 240.435 3.133 10 0 BGAERO CC[NH2+]C[C@H](C(C)C)N(C)CC1CCCCC1 ZINC000052346663 170121278 /nfs/dbraw/zinc/12/12/78/170121278.db2.gz JPYDBHJFXJGPOV-OAHLLOKOSA-N 1 0 240.435 3.133 10 0 BGAERO CCC1CCN([C@@H](C[NH2+]C)c2ccccc2)CC1 ZINC000052370559 168530662 /nfs/dbraw/zinc/53/06/62/168530662.db2.gz DCUWSRYYFXIQJQ-INIZCTEOSA-N 1 0 246.398 3.069 10 0 BGAERO CCC[NH2+]C[C@@H](C)N1CCC(C(C)(C)C)CC1 ZINC000052373558 169260986 /nfs/dbraw/zinc/26/09/86/169260986.db2.gz AGUFEMHFOBCDKI-CYBMUJFWSA-N 1 0 240.435 3.133 10 0 BGAERO CCC[NH2+]C[C@H](C)N1CCC(C(C)(C)C)CC1 ZINC000052373559 169263476 /nfs/dbraw/zinc/26/34/76/169263476.db2.gz AGUFEMHFOBCDKI-ZDUSSCGKSA-N 1 0 240.435 3.133 10 0 BGAERO CCCC1CCN([C@H](CC)C[NH2+]C(C)C)CC1 ZINC000052373826 168607384 /nfs/dbraw/zinc/60/73/84/168607384.db2.gz IBWPSJOQHUZONT-OAHLLOKOSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCC[C@H]1CC ZINC000052375415 170120305 /nfs/dbraw/zinc/12/03/05/170120305.db2.gz WCEHFYSLXZACTO-CVEARBPZSA-N 1 0 246.398 3.212 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCC[C@@H]1CC ZINC000052375416 170120418 /nfs/dbraw/zinc/12/04/18/170120418.db2.gz WCEHFYSLXZACTO-HOTGVXAUSA-N 1 0 246.398 3.212 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCC(C)CC1 ZINC000052377201 170120450 /nfs/dbraw/zinc/12/04/50/170120450.db2.gz IIODMGZBPUUUQH-INIZCTEOSA-N 1 0 246.398 3.069 10 0 BGAERO CC[NH2+]C[C@H](c1ccccc1)N1CCC(C)CC1 ZINC000052377203 170123118 /nfs/dbraw/zinc/12/31/18/170123118.db2.gz IIODMGZBPUUUQH-MRXNPFEDSA-N 1 0 246.398 3.069 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCCC[C@@H]1C ZINC000052379095 170120113 /nfs/dbraw/zinc/12/01/13/170120113.db2.gz SBRMCZQVQADKCB-HOCLYGCPSA-N 1 0 246.398 3.212 10 0 BGAERO CC[NH2+]C[C@H](c1ccccc1)N1CCCC[C@@H]1C ZINC000052379097 170122520 /nfs/dbraw/zinc/12/25/20/170122520.db2.gz SBRMCZQVQADKCB-GOEBONIOSA-N 1 0 246.398 3.212 10 0 BGAERO C[NH2+]Cc1cccc(CN(C)c2ccccc2)c1 ZINC000052379729 187270950 /nfs/dbraw/zinc/27/09/50/187270950.db2.gz QLCKSFBNIVJPLE-UHFFFAOYSA-N 1 0 240.350 3.042 10 0 BGAERO C[NH2+]Cc1ccccc1CN(C)c1ccccc1 ZINC000052379971 173390603 /nfs/dbraw/zinc/39/06/03/173390603.db2.gz NMSYQBSYXKXUOA-UHFFFAOYSA-N 1 0 240.350 3.042 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCC[C@H](C)C1 ZINC000052381645 170120005 /nfs/dbraw/zinc/12/00/05/170120005.db2.gz MPNRXANBCCRTJV-HOCLYGCPSA-N 1 0 246.398 3.069 10 0 BGAERO CC[NH2+]C[C@H](c1ccccc1)N1CCC[C@H](C)C1 ZINC000052381646 170122702 /nfs/dbraw/zinc/12/27/02/170122702.db2.gz MPNRXANBCCRTJV-GOEBONIOSA-N 1 0 246.398 3.069 10 0 BGAERO CCCN(CCC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052416889 169150589 /nfs/dbraw/zinc/15/05/89/169150589.db2.gz ZROXPINLHAFLAM-HNNXBMFYSA-N 1 0 234.387 3.069 10 0 BGAERO CCCN(CCC)[C@H](C[NH2+]C)c1ccccc1 ZINC000052416890 169151934 /nfs/dbraw/zinc/15/19/34/169151934.db2.gz ZROXPINLHAFLAM-OAHLLOKOSA-N 1 0 234.387 3.069 10 0 BGAERO CC(C)C[NH2+]CCN1c2ccccc2CC[C@H]1C ZINC000052416995 535168740 /nfs/dbraw/zinc/16/87/40/535168740.db2.gz YBMUXTIJLSUMTC-CQSZACIVSA-N 1 0 246.398 3.073 10 0 BGAERO CC(C)C[NH2+]CCN1c2ccccc2CC[C@@H]1C ZINC000052416996 535168835 /nfs/dbraw/zinc/16/88/35/535168835.db2.gz YBMUXTIJLSUMTC-AWEZNQCLSA-N 1 0 246.398 3.073 10 0 BGAERO CC[NH2+]C[C@H](CC)N(Cc1ccccc1)C(C)C ZINC000052417162 170121928 /nfs/dbraw/zinc/12/19/28/170121928.db2.gz NLILWODNMFTONH-INIZCTEOSA-N 1 0 248.414 3.285 10 0 BGAERO CC[NH2+]C[C@@H](CC)N(Cc1ccccc1)C(C)C ZINC000052417163 170119085 /nfs/dbraw/zinc/11/90/85/170119085.db2.gz NLILWODNMFTONH-MRXNPFEDSA-N 1 0 248.414 3.285 10 0 BGAERO CCC[NH2+]C[C@@H](C(C)C)N(C)Cc1ccccc1 ZINC000052417368 169261033 /nfs/dbraw/zinc/26/10/33/169261033.db2.gz DGSZQKOXYWEBLF-INIZCTEOSA-N 1 0 248.414 3.143 10 0 BGAERO CCC[NH2+]C[C@H](C(C)C)N(C)Cc1ccccc1 ZINC000052417369 169263241 /nfs/dbraw/zinc/26/32/41/169263241.db2.gz DGSZQKOXYWEBLF-MRXNPFEDSA-N 1 0 248.414 3.143 10 0 BGAERO CC(C)C[NH2+]C[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000052417425 167005305 /nfs/dbraw/zinc/00/53/05/167005305.db2.gz MYRMQDQTMNIOHL-OAHLLOKOSA-N 1 0 248.414 3.000 10 0 BGAERO CCC[NH2+]C[C@@H](C)N(CC)c1ccccc1C ZINC000052417744 169261339 /nfs/dbraw/zinc/26/13/39/169261339.db2.gz ITIWFRGUPBAPQB-CQSZACIVSA-N 1 0 234.387 3.209 10 0 BGAERO CCC[NH2+]C[C@H](C)N(CC)c1ccccc1C ZINC000052417745 169263151 /nfs/dbraw/zinc/26/31/51/169263151.db2.gz ITIWFRGUPBAPQB-AWEZNQCLSA-N 1 0 234.387 3.209 10 0 BGAERO CCC[NH2+]CCCCN1c2ccccc2C[C@@H]1C ZINC000052418245 169257034 /nfs/dbraw/zinc/25/70/34/169257034.db2.gz JSVYPPZOILSHHF-AWEZNQCLSA-N 1 0 246.398 3.217 10 0 BGAERO CCC[NH2+]CCCCN1c2ccccc2C[C@H]1C ZINC000052418246 169256974 /nfs/dbraw/zinc/25/69/74/169256974.db2.gz JSVYPPZOILSHHF-CQSZACIVSA-N 1 0 246.398 3.217 10 0 BGAERO CC(C)C[NH2+]C[C@H](C)N1c2ccccc2C[C@H]1C ZINC000052418265 167006702 /nfs/dbraw/zinc/00/67/02/167006702.db2.gz PXDPYGSETOVXMN-KGLIPLIRSA-N 1 0 246.398 3.072 10 0 BGAERO CC(C)C[NH2+]C[C@H](C)N1c2ccccc2C[C@@H]1C ZINC000052418266 167006780 /nfs/dbraw/zinc/00/67/80/167006780.db2.gz PXDPYGSETOVXMN-KBPBESRZSA-N 1 0 246.398 3.072 10 0 BGAERO CC(C)C[NH2+]CCCN1c2ccccc2C[C@H]1C ZINC000052418287 167002673 /nfs/dbraw/zinc/00/26/73/167002673.db2.gz ZEARDJAIGKGOGX-CQSZACIVSA-N 1 0 246.398 3.073 10 0 BGAERO CC(C)C[NH2+]CCCN1c2ccccc2C[C@@H]1C ZINC000052418288 167002645 /nfs/dbraw/zinc/00/26/45/167002645.db2.gz ZEARDJAIGKGOGX-AWEZNQCLSA-N 1 0 246.398 3.073 10 0 BGAERO CC[NH2+]CCCCCN1c2ccccc2C[C@@H]1C ZINC000052418371 170111819 /nfs/dbraw/zinc/11/18/19/170111819.db2.gz GFGXYGGFNAYUOB-AWEZNQCLSA-N 1 0 246.398 3.217 10 0 BGAERO CC[NH2+]CCCCCN1c2ccccc2C[C@H]1C ZINC000052418372 170111948 /nfs/dbraw/zinc/11/19/48/170111948.db2.gz GFGXYGGFNAYUOB-CQSZACIVSA-N 1 0 246.398 3.217 10 0 BGAERO CC(C)[NH2+]C[C@H](C(C)C)N(C)C1CCCCC1 ZINC000052419211 167113751 /nfs/dbraw/zinc/11/37/51/167113751.db2.gz ZIXQMISWGXTLAG-OAHLLOKOSA-N 1 0 240.435 3.274 10 0 BGAERO CC(C)[NH2+]C[C@@H](C(C)C)N(C)C1CCCCC1 ZINC000052419212 167109506 /nfs/dbraw/zinc/10/95/06/167109506.db2.gz ZIXQMISWGXTLAG-HNNXBMFYSA-N 1 0 240.435 3.274 10 0 BGAERO CCNC[C@@H](C(C)C)[N@H+](CC)C1CCCCC1 ZINC000052419976 170117834 /nfs/dbraw/zinc/11/78/34/170117834.db2.gz GDOFPVXXTBTUGA-HNNXBMFYSA-N 1 0 240.435 3.275 10 0 BGAERO CCNC[C@H](C(C)C)[N@H+](CC)C1CCCCC1 ZINC000052419977 170120964 /nfs/dbraw/zinc/12/09/64/170120964.db2.gz GDOFPVXXTBTUGA-OAHLLOKOSA-N 1 0 240.435 3.275 10 0 BGAERO CC(C)[NH2+]CCC[C@@H](C)N1CCc2ccccc21 ZINC000052420326 167101540 /nfs/dbraw/zinc/10/15/40/167101540.db2.gz BVJWKRMTYPYZMP-CQSZACIVSA-N 1 0 246.398 3.216 10 0 BGAERO CC(C)[NH2+]CCC[C@H](C)N1CCc2ccccc21 ZINC000052420327 167102671 /nfs/dbraw/zinc/10/26/71/167102671.db2.gz BVJWKRMTYPYZMP-AWEZNQCLSA-N 1 0 246.398 3.216 10 0 BGAERO CC(C)C[NH2+]CC[C@@H](C)N1CCc2ccccc21 ZINC000052420404 167005255 /nfs/dbraw/zinc/00/52/55/167005255.db2.gz BACDASVKIXAQNP-CQSZACIVSA-N 1 0 246.398 3.073 10 0 BGAERO CC(C)C[NH2+]CC[C@H](C)N1CCc2ccccc21 ZINC000052420405 167005403 /nfs/dbraw/zinc/00/54/03/167005403.db2.gz BACDASVKIXAQNP-AWEZNQCLSA-N 1 0 246.398 3.073 10 0 BGAERO CCC[NH2+]C[C@@H](c1ccccc1)N1CCCCC1 ZINC000052421327 169262280 /nfs/dbraw/zinc/26/22/80/169262280.db2.gz DXHPNCYKUVSQPT-INIZCTEOSA-N 1 0 246.398 3.213 10 0 BGAERO CCC[NH2+]C[C@H](c1ccccc1)N1CCCCC1 ZINC000052421328 169264442 /nfs/dbraw/zinc/26/44/42/169264442.db2.gz DXHPNCYKUVSQPT-MRXNPFEDSA-N 1 0 246.398 3.213 10 0 BGAERO CC(C)[NH2+]C[C@@H](c1ccccc1)N1CCCCC1 ZINC000052421329 167111294 /nfs/dbraw/zinc/11/12/94/167111294.db2.gz BCJRIAPZGPMKEM-INIZCTEOSA-N 1 0 246.398 3.212 10 0 BGAERO CC(C)[NH2+]C[C@H](c1ccccc1)N1CCCCC1 ZINC000052421330 167115254 /nfs/dbraw/zinc/11/52/54/167115254.db2.gz BCJRIAPZGPMKEM-MRXNPFEDSA-N 1 0 246.398 3.212 10 0 BGAERO CCC[NH2+]C[C@@H](CC)N1CCCc2ccccc21 ZINC000052421432 132362137 /nfs/dbraw/zinc/36/21/37/132362137.db2.gz LZYSXOKLNSOYIT-OAHLLOKOSA-N 1 0 246.398 3.217 10 0 BGAERO CCC[NH2+]C[C@H](CC)N1CCCc2ccccc21 ZINC000052421435 132362134 /nfs/dbraw/zinc/36/21/34/132362134.db2.gz LZYSXOKLNSOYIT-HNNXBMFYSA-N 1 0 246.398 3.217 10 0 BGAERO CC(C)C[NH2+]CCCN1CCCc2ccccc21 ZINC000052421476 535168398 /nfs/dbraw/zinc/16/83/98/535168398.db2.gz PGFJJOKQUKORHB-UHFFFAOYSA-N 1 0 246.398 3.075 10 0 BGAERO CC[NH2+]CCC[C@@H](C)N1CCCc2ccccc21 ZINC000052421567 132362273 /nfs/dbraw/zinc/36/22/73/132362273.db2.gz KBUBDKWKIWZZSB-CQSZACIVSA-N 1 0 246.398 3.217 10 0 BGAERO CC[NH2+]CCC[C@H](C)N1CCCc2ccccc21 ZINC000052421569 132362221 /nfs/dbraw/zinc/36/22/21/132362221.db2.gz KBUBDKWKIWZZSB-AWEZNQCLSA-N 1 0 246.398 3.217 10 0 BGAERO CC(C)[NH2+]CC[C@@H](C)N1CCCc2ccccc21 ZINC000052421671 132362218 /nfs/dbraw/zinc/36/22/18/132362218.db2.gz UDVIREGPSIJYHF-CQSZACIVSA-N 1 0 246.398 3.216 10 0 BGAERO CC(C)[NH2+]CC[C@H](C)N1CCCc2ccccc21 ZINC000052421672 132362127 /nfs/dbraw/zinc/36/21/27/132362127.db2.gz UDVIREGPSIJYHF-AWEZNQCLSA-N 1 0 246.398 3.216 10 0 BGAERO CC[NH2+]CCCCN1CCCc2cc(C)ccc21 ZINC000052422955 132362263 /nfs/dbraw/zinc/36/22/63/132362263.db2.gz ASUURVQGKBQNPV-UHFFFAOYSA-N 1 0 246.398 3.137 10 0 BGAERO CCC[NH2+]C[C@@H](C)N1CCCc2cc(C)ccc21 ZINC000052422974 132362223 /nfs/dbraw/zinc/36/22/23/132362223.db2.gz PXKZRBYQGRGRKB-CQSZACIVSA-N 1 0 246.398 3.136 10 0 BGAERO CCC[NH2+]C[C@H](C)N1CCCc2cc(C)ccc21 ZINC000052422976 132362143 /nfs/dbraw/zinc/36/21/43/132362143.db2.gz PXKZRBYQGRGRKB-AWEZNQCLSA-N 1 0 246.398 3.136 10 0 BGAERO C[NH2+]CCC[C@H](C)N1CCCc2cc(C)ccc21 ZINC000052423082 132362168 /nfs/dbraw/zinc/36/21/68/132362168.db2.gz IKABQHPXIARTMV-AWEZNQCLSA-N 1 0 246.398 3.136 10 0 BGAERO C[NH2+]CCC[C@@H](C)N1CCCc2cc(C)ccc21 ZINC000052423083 132362239 /nfs/dbraw/zinc/36/22/39/132362239.db2.gz IKABQHPXIARTMV-CQSZACIVSA-N 1 0 246.398 3.136 10 0 BGAERO CC[NH2+]CC[C@@H](C)N1CCCc2cc(C)ccc21 ZINC000052423128 132362135 /nfs/dbraw/zinc/36/21/35/132362135.db2.gz UEUJPCCSEXUSDL-CQSZACIVSA-N 1 0 246.398 3.136 10 0 BGAERO CC[NH2+]CC[C@H](C)N1CCCc2cc(C)ccc21 ZINC000052423130 132362155 /nfs/dbraw/zinc/36/21/55/132362155.db2.gz UEUJPCCSEXUSDL-AWEZNQCLSA-N 1 0 246.398 3.136 10 0 BGAERO CC(C)[NH2+]C[C@H](C(C)C)N1CCCCCCC1 ZINC000052424812 167112771 /nfs/dbraw/zinc/11/27/71/167112771.db2.gz QQTCCESDVVXBEB-OAHLLOKOSA-N 1 0 240.435 3.275 10 0 BGAERO CC(C)[NH2+]C[C@@H](C(C)C)N1CCCCCCC1 ZINC000052424813 167109053 /nfs/dbraw/zinc/10/90/53/167109053.db2.gz QQTCCESDVVXBEB-HNNXBMFYSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+]C[C@@H](CC)N(CC)Cc1ccccc1 ZINC000052443713 169262952 /nfs/dbraw/zinc/26/29/52/169262952.db2.gz LPDCLUPELBHRMP-MRXNPFEDSA-N 1 0 248.414 3.287 10 0 BGAERO CCC[NH2+]C[C@H](CC)N(CC)Cc1ccccc1 ZINC000052443714 169263521 /nfs/dbraw/zinc/26/35/21/169263521.db2.gz LPDCLUPELBHRMP-INIZCTEOSA-N 1 0 248.414 3.287 10 0 BGAERO CC[C@H](C)N(C)[C@@H](C[NH2+]C1CC1)c1ccccc1 ZINC000052444323 171309791 /nfs/dbraw/zinc/30/97/91/171309791.db2.gz IJRRSJPODDNEOO-BBRMVZONSA-N 1 0 246.398 3.210 10 0 BGAERO CCC[NH2+]C[C@@H](c1ccccc1)N(C)CCC ZINC000052444610 169263012 /nfs/dbraw/zinc/26/30/12/169263012.db2.gz GEFPBZYQLOBWPU-HNNXBMFYSA-N 1 0 234.387 3.069 10 0 BGAERO CCC[NH2+]C[C@H](c1ccccc1)N(C)CCC ZINC000052444611 169264380 /nfs/dbraw/zinc/26/43/80/169264380.db2.gz GEFPBZYQLOBWPU-OAHLLOKOSA-N 1 0 234.387 3.069 10 0 BGAERO CCCN(C)[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052444618 169086498 /nfs/dbraw/zinc/08/64/98/169086498.db2.gz CBRGWHAZYVRPGZ-INIZCTEOSA-N 1 0 248.414 3.315 10 0 BGAERO CCCN(C)[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000052444619 169088908 /nfs/dbraw/zinc/08/89/08/169088908.db2.gz CBRGWHAZYVRPGZ-MRXNPFEDSA-N 1 0 248.414 3.315 10 0 BGAERO CC(C)C[NH2+]C[C@H](C(C)C)N(C)C1CCCC1 ZINC000052444658 167006741 /nfs/dbraw/zinc/00/67/41/167006741.db2.gz QTIFIXINABTRAZ-OAHLLOKOSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[NH2+]C[C@@H](c1ccccc1)N(C)C1CC1 ZINC000052445663 167006860 /nfs/dbraw/zinc/00/68/60/167006860.db2.gz KMAIMMLACBAILM-INIZCTEOSA-N 1 0 246.398 3.068 10 0 BGAERO CC(C)C[NH2+]C[C@H](c1ccccc1)N(C)C1CC1 ZINC000052445665 167006936 /nfs/dbraw/zinc/00/69/36/167006936.db2.gz KMAIMMLACBAILM-MRXNPFEDSA-N 1 0 246.398 3.068 10 0 BGAERO CCC[N@H+](CC)Cc1ccccc1C[NH2+]C1CC1 ZINC000052448598 169129882 /nfs/dbraw/zinc/12/98/82/169129882.db2.gz CVBWLZLULFLDAO-UHFFFAOYSA-N 1 0 246.398 3.171 10 0 BGAERO CCCN(CC)[C@@H](C[NH2+]CC)c1ccccc1 ZINC000052448614 169132397 /nfs/dbraw/zinc/13/23/97/169132397.db2.gz XZHBIYGNIGUUHR-HNNXBMFYSA-N 1 0 234.387 3.069 10 0 BGAERO CCCN(CC)[C@H](C[NH2+]CC)c1ccccc1 ZINC000052448616 169132592 /nfs/dbraw/zinc/13/25/92/169132592.db2.gz XZHBIYGNIGUUHR-OAHLLOKOSA-N 1 0 234.387 3.069 10 0 BGAERO CCCN([C@@H](C[NH2+]C(C)(C)C)C(C)C)C1CC1 ZINC000052448747 169090580 /nfs/dbraw/zinc/09/05/80/169090580.db2.gz SVPVEFTUHKSAQN-AWEZNQCLSA-N 1 0 240.435 3.274 10 0 BGAERO CCCN([C@H](C[NH2+]C(C)(C)C)C(C)C)C1CC1 ZINC000052448748 169091622 /nfs/dbraw/zinc/09/16/22/169091622.db2.gz SVPVEFTUHKSAQN-CQSZACIVSA-N 1 0 240.435 3.274 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N(CC)CC(C)C ZINC000052449958 170119780 /nfs/dbraw/zinc/11/97/80/170119780.db2.gz ATNDVFZLGZTQQF-INIZCTEOSA-N 1 0 248.414 3.315 10 0 BGAERO CC[NH2+]C[C@H](c1ccccc1)N(CC)CC(C)C ZINC000052449960 170122442 /nfs/dbraw/zinc/12/24/42/170122442.db2.gz ATNDVFZLGZTQQF-MRXNPFEDSA-N 1 0 248.414 3.315 10 0 BGAERO CC[C@H](C)N(CC)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052450776 171312499 /nfs/dbraw/zinc/31/24/99/171312499.db2.gz HSMGLZBMVBZMNI-GJZGRUSLSA-N 1 0 242.451 3.377 10 0 BGAERO CC[C@H](C)N(CC)[C@@H](C[NH2+]C)c1ccccc1 ZINC000052451575 171312290 /nfs/dbraw/zinc/31/22/90/171312290.db2.gz VUVJLDYSRPYGMC-ZFWWWQNUSA-N 1 0 234.387 3.068 10 0 BGAERO CCC[NH2+]C[C@@H](c1ccccc1)N(CC)C1CC1 ZINC000052452305 169261968 /nfs/dbraw/zinc/26/19/68/169261968.db2.gz GEQNWJHWLZJDQQ-INIZCTEOSA-N 1 0 246.398 3.212 10 0 BGAERO CCC[NH2+]C[C@H](c1ccccc1)N(CC)C1CC1 ZINC000052452308 169264892 /nfs/dbraw/zinc/26/48/92/169264892.db2.gz GEQNWJHWLZJDQQ-MRXNPFEDSA-N 1 0 246.398 3.212 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)C[C@H](C)CC ZINC000052454446 170119922 /nfs/dbraw/zinc/11/99/22/170119922.db2.gz OKQYOLONWBXLEX-ZBFHGGJFSA-N 1 0 248.414 3.315 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)C[C@@H](C)CC ZINC000052454448 170120241 /nfs/dbraw/zinc/12/02/41/170120241.db2.gz OKQYOLONWBXLEX-HOCLYGCPSA-N 1 0 248.414 3.315 10 0 BGAERO CCC[NH2+]C[C@@H](C(C)C)N(CC)C1CCCC1 ZINC000052457533 169261493 /nfs/dbraw/zinc/26/14/93/169261493.db2.gz OFAVBDAHAQOASE-HNNXBMFYSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+]C[C@H](C(C)C)N(CC)C1CCCC1 ZINC000052457535 169263874 /nfs/dbraw/zinc/26/38/74/169263874.db2.gz OFAVBDAHAQOASE-OAHLLOKOSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)C(CC)CC ZINC000052478253 170120425 /nfs/dbraw/zinc/12/04/25/170120425.db2.gz CTUFOLROYBCGCH-INIZCTEOSA-N 1 0 248.414 3.458 10 0 BGAERO CC[NH2+]C[C@H](c1ccccc1)N(C)C(CC)CC ZINC000052478254 170122994 /nfs/dbraw/zinc/12/29/94/170122994.db2.gz CTUFOLROYBCGCH-MRXNPFEDSA-N 1 0 248.414 3.458 10 0 BGAERO CC(C)[C@@H](C[NH2+]C(C)(C)C)N(C)[C@@H](C)C1CC1 ZINC000052478960 167398926 /nfs/dbraw/zinc/39/89/26/167398926.db2.gz MMYTVMVULQELJG-GXTWGEPZSA-N 1 0 240.435 3.129 10 0 BGAERO CC(C)[C@H](C[NH2+]C(C)(C)C)N(C)[C@@H](C)C1CC1 ZINC000052478961 187271009 /nfs/dbraw/zinc/27/10/09/187271009.db2.gz MMYTVMVULQELJG-JSGCOSHPSA-N 1 0 240.435 3.129 10 0 BGAERO CCC[C@@H](C)N(C)[C@@H](C[NH2+]CC(C)C)C(C)C ZINC000052480462 169366716 /nfs/dbraw/zinc/36/67/16/169366716.db2.gz CMPFHDPEWXRGOL-CABCVRRESA-N 1 0 242.451 3.377 10 0 BGAERO CCC[C@@H](C)N(C)[C@@H](C[NH2+]CC)c1ccccc1 ZINC000052480798 169366232 /nfs/dbraw/zinc/36/62/32/169366232.db2.gz NAFYCAXGSOCIPV-ZBFHGGJFSA-N 1 0 248.414 3.458 10 0 BGAERO CCC[NH2+]C[C@@H](c1ccccc1)N(C)CC1CC1 ZINC000052483719 169262539 /nfs/dbraw/zinc/26/25/39/169262539.db2.gz NNJFNAIZQMHZJQ-INIZCTEOSA-N 1 0 246.398 3.069 10 0 BGAERO CCC[NH2+]C[C@H](c1ccccc1)N(C)CC1CC1 ZINC000052483720 169264713 /nfs/dbraw/zinc/26/47/13/169264713.db2.gz NNJFNAIZQMHZJQ-MRXNPFEDSA-N 1 0 246.398 3.069 10 0 BGAERO CC[NH2+]CCCCN(CC)c1cccc(C)c1 ZINC000052483760 170111546 /nfs/dbraw/zinc/11/15/46/170111546.db2.gz ZLLKJOXAJLPABS-UHFFFAOYSA-N 1 0 234.387 3.211 10 0 BGAERO CCN(C[C@@H](C)C[NH2+]C(C)C)c1cccc(C)c1 ZINC000052483795 169879438 /nfs/dbraw/zinc/87/94/38/169879438.db2.gz CDLRLWXVOUONKF-HNNXBMFYSA-N 1 0 248.414 3.455 10 0 BGAERO CCN(C[C@H](C)C[NH2+]C(C)C)c1cccc(C)c1 ZINC000052483796 169890518 /nfs/dbraw/zinc/89/05/18/169890518.db2.gz CDLRLWXVOUONKF-OAHLLOKOSA-N 1 0 248.414 3.455 10 0 BGAERO CCN(c1cccc(C)c1)[C@H](C)CC[NH2+]C1CC1 ZINC000052483900 169942918 /nfs/dbraw/zinc/94/29/18/169942918.db2.gz XUHVQYGHGFAFJZ-CQSZACIVSA-N 1 0 246.398 3.352 10 0 BGAERO CCCNC[C@@H](CC)[NH+](CC(C)C)CC(C)C ZINC000052484847 169262648 /nfs/dbraw/zinc/26/26/48/169262648.db2.gz MZCFIEYLAQJOEH-OAHLLOKOSA-N 1 0 242.451 3.379 10 0 BGAERO CCCNC[C@H](CC)[NH+](CC(C)C)CC(C)C ZINC000052484848 169264038 /nfs/dbraw/zinc/26/40/38/169264038.db2.gz MZCFIEYLAQJOEH-HNNXBMFYSA-N 1 0 242.451 3.379 10 0 BGAERO CC(C)[NH2+]C[C@H](C(C)C)N(C)[C@@H](C)C(C)(C)C ZINC000052504235 167113695 /nfs/dbraw/zinc/11/36/95/167113695.db2.gz MYJPGRUXAKMHIB-UONOGXRCSA-N 1 0 242.451 3.375 10 0 BGAERO CC(C)[NH2+]C[C@@H](C(C)C)N(C)[C@@H](C)C(C)(C)C ZINC000052504236 167108353 /nfs/dbraw/zinc/10/83/53/167108353.db2.gz MYJPGRUXAKMHIB-KBPBESRZSA-N 1 0 242.451 3.375 10 0 BGAERO CC[NH2+]CCCCN(CC)c1cccc(F)c1 ZINC000052506078 170111826 /nfs/dbraw/zinc/11/18/26/170111826.db2.gz TWZLMPKCOCJABT-UHFFFAOYSA-N 1 0 238.350 3.042 10 0 BGAERO CCC[NH2+]CCCCN(C)c1ccc(C)cc1 ZINC000052509304 169256371 /nfs/dbraw/zinc/25/63/71/169256371.db2.gz ICKXOBYOQFCMJG-UHFFFAOYSA-N 1 0 234.387 3.211 10 0 BGAERO CCC[NH2+]C[C@H](C(C)C)N1CC[C@H](C)C[C@@H]1C ZINC000052509729 169263139 /nfs/dbraw/zinc/26/31/39/169263139.db2.gz FNWATHBKMKNORB-SOUVJXGZSA-N 1 0 240.435 3.131 10 0 BGAERO CCN(c1ccc(F)cc1)[C@@H](C)C[NH2+]C(C)C ZINC000052512086 169942328 /nfs/dbraw/zinc/94/23/28/169942328.db2.gz SDJYLUIDMSKWPX-LBPRGKRZSA-N 1 0 238.350 3.039 10 0 BGAERO CCN(c1ccc(F)cc1)[C@H](C)C[NH2+]C(C)C ZINC000052512088 169942329 /nfs/dbraw/zinc/94/23/29/169942329.db2.gz SDJYLUIDMSKWPX-GFCCVEGCSA-N 1 0 238.350 3.039 10 0 BGAERO CC[NH2+]C[C@H](CC)N(CC)c1ccc(F)cc1 ZINC000052512105 170121994 /nfs/dbraw/zinc/12/19/94/170121994.db2.gz XCEIZEIIVFQTOA-ZDUSSCGKSA-N 1 0 238.350 3.040 10 0 BGAERO CC[NH2+]C[C@@H](CC)N(CC)c1ccc(F)cc1 ZINC000052512107 170118850 /nfs/dbraw/zinc/11/88/50/170118850.db2.gz XCEIZEIIVFQTOA-CYBMUJFWSA-N 1 0 238.350 3.040 10 0 BGAERO CC[NH2+]C[C@H](CC)N(CC)c1ccccc1F ZINC000052512810 170122100 /nfs/dbraw/zinc/12/21/00/170122100.db2.gz LONCSMXCCRXJJT-LBPRGKRZSA-N 1 0 238.350 3.040 10 0 BGAERO CC[NH2+]C[C@@H](CC)N(CC)c1ccccc1F ZINC000052512812 170118861 /nfs/dbraw/zinc/11/88/61/170118861.db2.gz LONCSMXCCRXJJT-GFCCVEGCSA-N 1 0 238.350 3.040 10 0 BGAERO CC[NH2+]C[C@H](C(C)C)N(C)[C@@H]1CCC[C@H](C)C1 ZINC000052513266 170120893 /nfs/dbraw/zinc/12/08/93/170120893.db2.gz LTQRLXVVSOYMSP-RRFJBIMHSA-N 1 0 240.435 3.131 10 0 BGAERO CCC[NH2+]C[C@@H](C(C)C)N(CCC)CC1CC1 ZINC000052514309 169261299 /nfs/dbraw/zinc/26/12/99/169261299.db2.gz NPKHXMBUBQSCDJ-HNNXBMFYSA-N 1 0 240.435 3.133 10 0 BGAERO CCC[NH2+]C[C@H](C(C)C)N(CCC)CC1CC1 ZINC000052514311 169263463 /nfs/dbraw/zinc/26/34/63/169263463.db2.gz NPKHXMBUBQSCDJ-OAHLLOKOSA-N 1 0 240.435 3.133 10 0 BGAERO CCCN(CC1CC1)[C@@H](CC)C[NH2+]CC(C)C ZINC000052514398 169138258 /nfs/dbraw/zinc/13/82/58/169138258.db2.gz GAHYRFWXYKBSNZ-HNNXBMFYSA-N 1 0 240.435 3.133 10 0 BGAERO CCCN(CC1CC1)[C@H](CC)C[NH2+]CC(C)C ZINC000052514401 169138587 /nfs/dbraw/zinc/13/85/87/169138587.db2.gz GAHYRFWXYKBSNZ-OAHLLOKOSA-N 1 0 240.435 3.133 10 0 BGAERO C[NH2+]C[C@@H](c1ccccc1)N(CC(C)C)C1CC1 ZINC000052515952 173366885 /nfs/dbraw/zinc/36/68/85/173366885.db2.gz SQWURCDWBRMDNT-INIZCTEOSA-N 1 0 246.398 3.068 10 0 BGAERO C[NH2+]C[C@H](c1ccccc1)N(CC(C)C)C1CC1 ZINC000052515954 173377984 /nfs/dbraw/zinc/37/79/84/173377984.db2.gz SQWURCDWBRMDNT-MRXNPFEDSA-N 1 0 246.398 3.068 10 0 BGAERO CCC[NH2+]C[C@@H](CC)N(C)c1cccc(C)c1 ZINC000052517913 169262896 /nfs/dbraw/zinc/26/28/96/169262896.db2.gz AXYPRWFEQCXPHA-CQSZACIVSA-N 1 0 234.387 3.209 10 0 BGAERO CCC[NH2+]C[C@H](CC)N(C)c1cccc(C)c1 ZINC000052517914 169263983 /nfs/dbraw/zinc/26/39/83/169263983.db2.gz AXYPRWFEQCXPHA-AWEZNQCLSA-N 1 0 234.387 3.209 10 0 BGAERO CC[C@@H](C[NH2+]CC(C)C)N(C)c1cccc(C)c1 ZINC000052517928 170828307 /nfs/dbraw/zinc/82/83/07/170828307.db2.gz RNSBCGGARLBWNE-HNNXBMFYSA-N 1 0 248.414 3.455 10 0 BGAERO CC[NH2+]C[C@H](CC)N(CC)c1ccc(C)cc1 ZINC000052539990 170121824 /nfs/dbraw/zinc/12/18/24/170121824.db2.gz AIKAVLYTJRMGQB-AWEZNQCLSA-N 1 0 234.387 3.209 10 0 BGAERO CC[NH2+]C[C@@H](CC)N(CC)c1ccc(C)cc1 ZINC000052539991 170119015 /nfs/dbraw/zinc/11/90/15/170119015.db2.gz AIKAVLYTJRMGQB-CQSZACIVSA-N 1 0 234.387 3.209 10 0 BGAERO CCC[NH2+]CCCCN(C)c1ccc(F)cc1 ZINC000052540423 169256560 /nfs/dbraw/zinc/25/65/60/169256560.db2.gz UYYIFZFBWJGVEF-UHFFFAOYSA-N 1 0 238.350 3.042 10 0 BGAERO CC[NH2+]CCCCCN(C)c1ccc(F)cc1 ZINC000052540525 170111722 /nfs/dbraw/zinc/11/17/22/170111722.db2.gz KUHQQZUMVKYUSU-UHFFFAOYSA-N 1 0 238.350 3.042 10 0 BGAERO CCC(CC)C[N@H+](CC)[C@@H](CC)CNC1CC1 ZINC000052540619 168351284 /nfs/dbraw/zinc/35/12/84/168351284.db2.gz USHVOYHNCYBUMH-HNNXBMFYSA-N 1 0 240.435 3.275 10 0 BGAERO CCC(CC)C[N@H+](CC)[C@H](CC)CNC1CC1 ZINC000052540620 168350576 /nfs/dbraw/zinc/35/05/76/168350576.db2.gz USHVOYHNCYBUMH-OAHLLOKOSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+]C[C@@H](CC)N(C)c1ccccc1C ZINC000052542872 169262820 /nfs/dbraw/zinc/26/28/20/169262820.db2.gz FLPXNTQUTHXJRW-CQSZACIVSA-N 1 0 234.387 3.209 10 0 BGAERO CCC[NH2+]C[C@H](CC)N(C)c1ccccc1C ZINC000052542873 169263280 /nfs/dbraw/zinc/26/32/80/169263280.db2.gz FLPXNTQUTHXJRW-AWEZNQCLSA-N 1 0 234.387 3.209 10 0 BGAERO CC[C@@H](C[NH2+]CC(C)C)N(C)c1ccccc1C ZINC000052542880 170827980 /nfs/dbraw/zinc/82/79/80/170827980.db2.gz TWYFHVHILKSQJV-HNNXBMFYSA-N 1 0 248.414 3.455 10 0 BGAERO CC[NH2+]CCCCCN(C)c1ccccc1C ZINC000052542951 170111490 /nfs/dbraw/zinc/11/14/90/170111490.db2.gz VWHYQRDYMPOVAL-UHFFFAOYSA-N 1 0 234.387 3.211 10 0 BGAERO CCC[NH2+]C[C@@H](CC)N(C)c1ccccc1F ZINC000052543027 169262762 /nfs/dbraw/zinc/26/27/62/169262762.db2.gz DBZRHPSLEQVERE-GFCCVEGCSA-N 1 0 238.350 3.040 10 0 BGAERO CCC[NH2+]C[C@H](CC)N(C)c1ccccc1F ZINC000052543028 169263632 /nfs/dbraw/zinc/26/36/32/169263632.db2.gz DBZRHPSLEQVERE-LBPRGKRZSA-N 1 0 238.350 3.040 10 0 BGAERO CC[NH2+]C[C@H](CC)N(C)c1ccc(CC)cc1 ZINC000052543693 170121539 /nfs/dbraw/zinc/12/15/39/170121539.db2.gz HYSRZXPYPHRNOO-AWEZNQCLSA-N 1 0 234.387 3.073 10 0 BGAERO CC[NH2+]C[C@@H](CC)N(C)c1ccc(CC)cc1 ZINC000052543694 170119358 /nfs/dbraw/zinc/11/93/58/170119358.db2.gz HYSRZXPYPHRNOO-CQSZACIVSA-N 1 0 234.387 3.073 10 0 BGAERO CCC[NH2+]C[C@@H](C)N(C)c1ccc(C)cc1C ZINC000052544324 169261184 /nfs/dbraw/zinc/26/11/84/169261184.db2.gz MRDBJKJIWXLFHC-CQSZACIVSA-N 1 0 234.387 3.128 10 0 BGAERO CCC[NH2+]C[C@H](C)N(C)c1ccc(C)cc1C ZINC000052544325 169263789 /nfs/dbraw/zinc/26/37/89/169263789.db2.gz MRDBJKJIWXLFHC-AWEZNQCLSA-N 1 0 234.387 3.128 10 0 BGAERO Cc1ccc(N(C)[C@@H](C)C[NH2+]CC(C)C)c(C)c1 ZINC000052544332 178700168 /nfs/dbraw/zinc/70/01/68/178700168.db2.gz BZLXKUJNDVPRDH-HNNXBMFYSA-N 1 0 248.414 3.374 10 0 BGAERO CC[C@H](C[NH2+]C1CC1)N(C)c1ccc(C)cc1C ZINC000052544343 171438017 /nfs/dbraw/zinc/43/80/17/171438017.db2.gz ZZSFTQVSTYUTRH-OAHLLOKOSA-N 1 0 246.398 3.270 10 0 BGAERO CC[NH2+]CCCCN(C)c1cc(C)cc(C)c1 ZINC000052544600 170111912 /nfs/dbraw/zinc/11/19/12/170111912.db2.gz XVNYNJPBYFDOAC-UHFFFAOYSA-N 1 0 234.387 3.129 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N(C)CCC(C)C ZINC000052545970 170119736 /nfs/dbraw/zinc/11/97/36/170119736.db2.gz AHNZOVQAZMGHKH-INIZCTEOSA-N 1 0 248.414 3.315 10 0 BGAERO CC[NH2+]C[C@H](c1ccccc1)N(C)CCC(C)C ZINC000052545971 170122793 /nfs/dbraw/zinc/12/27/93/170122793.db2.gz AHNZOVQAZMGHKH-MRXNPFEDSA-N 1 0 248.414 3.315 10 0 BGAERO CCC[NH2+]C[C@@H](CC)N(C)[C@@H]1CCCC[C@@H]1C ZINC000052546559 169262356 /nfs/dbraw/zinc/26/23/56/169262356.db2.gz GHSZTIXDLXSHRR-RRFJBIMHSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+]C[C@H](CC)N(C)[C@@H]1CCCC[C@@H]1C ZINC000052546560 169263719 /nfs/dbraw/zinc/26/37/19/169263719.db2.gz GHSZTIXDLXSHRR-SOUVJXGZSA-N 1 0 240.435 3.275 10 0 BGAERO CC(C)C[NH2+]C[C@H](C(C)C)N(C)CC(C)(C)C ZINC000052547740 167007045 /nfs/dbraw/zinc/00/70/45/167007045.db2.gz YNFWTMUNJOMWHC-CQSZACIVSA-N 1 0 242.451 3.235 10 0 BGAERO CCCNC[C@@H](C(C)C)[N@H+](CC(C)C)C(C)C ZINC000052572480 169261697 /nfs/dbraw/zinc/26/16/97/169261697.db2.gz PTZKZEFEYIZFKT-HNNXBMFYSA-N 1 0 242.451 3.377 10 0 BGAERO CCCNC[C@H](C(C)C)[N@H+](CC(C)C)C(C)C ZINC000052572481 169263073 /nfs/dbraw/zinc/26/30/73/169263073.db2.gz PTZKZEFEYIZFKT-OAHLLOKOSA-N 1 0 242.451 3.377 10 0 BGAERO Cc1nn([C@@H](C)C[NH2+]C(C)(C)C)c(C)c1Cl ZINC000052574007 180392539 /nfs/dbraw/zinc/39/25/39/180392539.db2.gz JJDANDFJLHNTOQ-QMMMGPOBSA-N 1 0 243.782 3.102 10 0 BGAERO Cc1nn([C@H](C)C[NH2+]C(C)(C)C)c(C)c1Cl ZINC000052574008 180393439 /nfs/dbraw/zinc/39/34/39/180393439.db2.gz JJDANDFJLHNTOQ-MRVPVSSYSA-N 1 0 243.782 3.102 10 0 BGAERO CCC[NH2+]CCC[C@@H](C)n1ncc2ccccc21 ZINC000052574182 169258611 /nfs/dbraw/zinc/25/86/11/169258611.db2.gz QEDHHTJGCBUTKR-CYBMUJFWSA-N 1 0 245.370 3.377 10 0 BGAERO CCC[NH2+]CCC[C@H](C)n1ncc2ccccc21 ZINC000052574183 169258592 /nfs/dbraw/zinc/25/85/92/169258592.db2.gz QEDHHTJGCBUTKR-ZDUSSCGKSA-N 1 0 245.370 3.377 10 0 BGAERO CCC[NH2+]C[C@@H](C(C)C)n1ncc2ccccc21 ZINC000052574293 169261321 /nfs/dbraw/zinc/26/13/21/169261321.db2.gz XXERBLOCNRUHEE-HNNXBMFYSA-N 1 0 245.370 3.233 10 0 BGAERO CCC[NH2+]C[C@H](C(C)C)n1ncc2ccccc21 ZINC000052574294 169264067 /nfs/dbraw/zinc/26/40/67/169264067.db2.gz XXERBLOCNRUHEE-OAHLLOKOSA-N 1 0 245.370 3.233 10 0 BGAERO C[NH2+]CCC[C@H](C)n1cnc2cc(C)c(C)cc21 ZINC000052575670 173350311 /nfs/dbraw/zinc/35/03/11/173350311.db2.gz JURXVQXOLAXJFE-ZDUSSCGKSA-N 1 0 245.370 3.214 10 0 BGAERO Cc1cc(C)n([C@H](C)CCC[NH2+]CC(C)C)n1 ZINC000052575891 177932831 /nfs/dbraw/zinc/93/28/31/177932831.db2.gz AFOOBMSBLNTRKI-CYBMUJFWSA-N 1 0 237.391 3.087 10 0 BGAERO CC(C)[NH2+]CCCCCn1cnc2ccccc21 ZINC000052576416 167101817 /nfs/dbraw/zinc/10/18/17/167101817.db2.gz VHYNGFUHUCEPTC-UHFFFAOYSA-N 1 0 245.370 3.205 10 0 BGAERO CC(C)C[NH2+]CC[C@@H](C)n1cnc2ccccc21 ZINC000052576499 167004532 /nfs/dbraw/zinc/00/45/32/167004532.db2.gz HYINTOKDWYWJFE-CYBMUJFWSA-N 1 0 245.370 3.233 10 0 BGAERO CC(C)C[NH2+]CC[C@H](C)n1cnc2ccccc21 ZINC000052576500 167004276 /nfs/dbraw/zinc/00/42/76/167004276.db2.gz HYINTOKDWYWJFE-ZDUSSCGKSA-N 1 0 245.370 3.233 10 0 BGAERO CCc1c(C)nn([C@@H](C)CCC[NH2+]C2CC2)c1C ZINC000052592132 171741577 /nfs/dbraw/zinc/74/15/77/171741577.db2.gz IJHBWVRHUZLBCZ-NSHDSACASA-N 1 0 249.402 3.156 10 0 BGAERO CCC[NH2+]CC[C@@H](C)n1nc(C)c(CC)c1C ZINC000052592292 169260235 /nfs/dbraw/zinc/26/02/35/169260235.db2.gz PSCJCYAKSBQPQZ-LLVKDONJSA-N 1 0 237.391 3.013 10 0 BGAERO CCC[NH2+]CC[C@H](C)n1nc(C)c(CC)c1C ZINC000052592294 169261601 /nfs/dbraw/zinc/26/16/01/169261601.db2.gz PSCJCYAKSBQPQZ-NSHDSACASA-N 1 0 237.391 3.013 10 0 BGAERO CCc1nccn1[C@@H](C)CCC[NH2+]C(C)(C)C ZINC000052593110 172028753 /nfs/dbraw/zinc/02/87/53/172028753.db2.gz ZGGQENLECZMMFE-LBPRGKRZSA-N 1 0 237.391 3.175 10 0 BGAERO CCc1nccn1[C@H](C)CCC[NH2+]C(C)(C)C ZINC000052593112 172028840 /nfs/dbraw/zinc/02/88/40/172028840.db2.gz ZGGQENLECZMMFE-GFCCVEGCSA-N 1 0 237.391 3.175 10 0 BGAERO CCc1nccn1[C@@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052593351 172029790 /nfs/dbraw/zinc/02/97/90/172029790.db2.gz NTRMNLHVAOIWGI-LBPRGKRZSA-N 1 0 237.391 3.031 10 0 BGAERO CCc1nccn1[C@H](C[NH2+]C(C)(C)C)C(C)C ZINC000052593354 172029022 /nfs/dbraw/zinc/02/90/22/172029022.db2.gz NTRMNLHVAOIWGI-GFCCVEGCSA-N 1 0 237.391 3.031 10 0 BGAERO Cc1ncn([C@@H](C)CCC[NH2+]C(C)(C)C)c1C ZINC000052593644 180289902 /nfs/dbraw/zinc/28/99/02/180289902.db2.gz ZPXGFDREMIPXBG-NSHDSACASA-N 1 0 237.391 3.229 10 0 BGAERO Cc1ncn([C@H](C)CCC[NH2+]C(C)(C)C)c1C ZINC000052593646 180288968 /nfs/dbraw/zinc/28/89/68/180288968.db2.gz ZPXGFDREMIPXBG-LLVKDONJSA-N 1 0 237.391 3.229 10 0 BGAERO Cc1ncn([C@@H](C[NH2+]C(C)(C)C)C(C)C)c1C ZINC000052593890 180289087 /nfs/dbraw/zinc/28/90/87/180289087.db2.gz SUSMAIWDDLBBAB-ZDUSSCGKSA-N 1 0 237.391 3.085 10 0 BGAERO Cc1ncn([C@H](C[NH2+]C(C)(C)C)C(C)C)c1C ZINC000052593892 180288619 /nfs/dbraw/zinc/28/86/19/180288619.db2.gz SUSMAIWDDLBBAB-CYBMUJFWSA-N 1 0 237.391 3.085 10 0 BGAERO C/C=C/COCc1oc2ccccc2c1C[NH2+]C ZINC000052594829 188482908 /nfs/dbraw/zinc/48/29/08/188482908.db2.gz ANJCOECRLCXVQO-ONEGZZNKSA-N 1 0 245.322 3.245 10 0 BGAERO C/C=C/CO[C@@H](C[NH2+]CCC)c1ccccc1 ZINC000052595003 188126363 /nfs/dbraw/zinc/12/63/63/188126363.db2.gz FEILASUKWJZJFL-UJAVWCLSSA-N 1 0 233.355 3.320 10 0 BGAERO C/C=C/CO[C@H](C[NH2+]CCC)c1ccccc1 ZINC000052595005 188126288 /nfs/dbraw/zinc/12/62/88/188126288.db2.gz FEILASUKWJZJFL-SJDLMVEWSA-N 1 0 233.355 3.320 10 0 BGAERO C[NH2+]Cc1oc2ccccc2c1COC1CCC1 ZINC000052595391 173399898 /nfs/dbraw/zinc/39/98/98/173399898.db2.gz IFTIOYQUGOIXNN-UHFFFAOYSA-N 1 0 245.322 3.221 10 0 BGAERO CC(C)[NH2+]Cc1ccc(COC2CCC2)cc1 ZINC000052595647 167118751 /nfs/dbraw/zinc/11/87/51/167118751.db2.gz UFFILIJKKNJGAG-UHFFFAOYSA-N 1 0 233.355 3.254 10 0 BGAERO C[NH2+]Cc1cc(COC2CCCCC2)oc1C ZINC000052600143 173387019 /nfs/dbraw/zinc/38/70/19/173387019.db2.gz YBDJALJZBJVHLZ-UHFFFAOYSA-N 1 0 237.343 3.157 10 0 BGAERO CC[NH2+]Cc1occc1COC1CCCCC1 ZINC000052600186 170132937 /nfs/dbraw/zinc/13/29/37/170132937.db2.gz HMTHJVVRXOWSCM-UHFFFAOYSA-N 1 0 237.343 3.238 10 0 BGAERO C[NH2+]Cc1ccccc1COC1CCCCC1 ZINC000052600416 173390263 /nfs/dbraw/zinc/39/02/63/173390263.db2.gz VZPUUDMWIAZOQL-UHFFFAOYSA-N 1 0 233.355 3.255 10 0 BGAERO C[NH2+]Cc1ccccc1COCc1ccccc1 ZINC000052601353 173390339 /nfs/dbraw/zinc/39/03/39/173390339.db2.gz NGKHVEOGUIFESN-UHFFFAOYSA-N 1 0 241.334 3.123 10 0 BGAERO CCC[NH2+]Cc1oc2ccccc2c1COC ZINC000052602289 169269868 /nfs/dbraw/zinc/26/98/68/169269868.db2.gz LGYVNDWUYPISIP-UHFFFAOYSA-N 1 0 233.311 3.079 10 0 BGAERO COCc1c2ccccc2oc1C[NH2+]CC(C)C ZINC000052602297 187270830 /nfs/dbraw/zinc/27/08/30/187270830.db2.gz YFYFORZYBLBBCL-UHFFFAOYSA-N 1 0 247.338 3.325 10 0 BGAERO CCC[NH2+]Cc1oc2ccccc2c1COCC ZINC000052602764 169269401 /nfs/dbraw/zinc/26/94/01/169269401.db2.gz MEXVOQIVQRTQNO-UHFFFAOYSA-N 1 0 247.338 3.469 10 0 BGAERO CCOCc1c(C[NH3+])sc2cccc(F)c21 ZINC000052602794 170457137 /nfs/dbraw/zinc/45/71/37/170457137.db2.gz XDCMUNKLJJQEHG-UHFFFAOYSA-N 1 0 239.315 3.036 10 0 BGAERO C[NH2+]Cc1occc1CO[C@H]1CCCC[C@H]1C ZINC000052620356 173399567 /nfs/dbraw/zinc/39/95/67/173399567.db2.gz CZYCDYFCVIWGHP-YPMHNXCESA-N 1 0 237.343 3.094 10 0 BGAERO C[NH2+]Cc1occc1CO[C@H]1CCCC[C@@H]1C ZINC000052620359 173399670 /nfs/dbraw/zinc/39/96/70/173399670.db2.gz CZYCDYFCVIWGHP-AAEUAGOBSA-N 1 0 237.343 3.094 10 0 BGAERO C[NH2+]Cc1occc1CO[C@@H]1CCCC[C@H]1C ZINC000052620362 173399632 /nfs/dbraw/zinc/39/96/32/173399632.db2.gz CZYCDYFCVIWGHP-DGCLKSJQSA-N 1 0 237.343 3.094 10 0 BGAERO C[NH2+]Cc1occc1CO[C@@H]1CCCC[C@@H]1C ZINC000052620364 173399362 /nfs/dbraw/zinc/39/93/62/173399362.db2.gz CZYCDYFCVIWGHP-WCQYABFASA-N 1 0 237.343 3.094 10 0 BGAERO Cc1cc(CO[C@@H]2CCCC[C@@H]2C)oc1C[NH3+] ZINC000052620735 178048693 /nfs/dbraw/zinc/04/86/93/178048693.db2.gz RYLMEDHRTYWMGQ-GXFFZTMASA-N 1 0 237.343 3.142 10 0 BGAERO Cc1cc(CO[C@H]2CCCC[C@@H]2C)oc1C[NH3+] ZINC000052620738 178048813 /nfs/dbraw/zinc/04/88/13/178048813.db2.gz RYLMEDHRTYWMGQ-GWCFXTLKSA-N 1 0 237.343 3.142 10 0 BGAERO Cc1cc(CO[C@@H]2CCCC[C@H]2C)oc1C[NH3+] ZINC000052620740 178049591 /nfs/dbraw/zinc/04/95/91/178049591.db2.gz RYLMEDHRTYWMGQ-ZWNOBZJWSA-N 1 0 237.343 3.142 10 0 BGAERO Cc1cc(CO[C@H]2CCCC[C@H]2C)oc1C[NH3+] ZINC000052620744 178048517 /nfs/dbraw/zinc/04/85/17/178048517.db2.gz RYLMEDHRTYWMGQ-MFKMUULPSA-N 1 0 237.343 3.142 10 0 BGAERO CC(C)COCc1occc1C[NH2+]C(C)(C)C ZINC000052622435 187609710 /nfs/dbraw/zinc/60/97/10/187609710.db2.gz GAUNJRNARDWIBQ-UHFFFAOYSA-N 1 0 239.359 3.340 10 0 BGAERO CC(C)C[NH2+]Cc1ccoc1COCC(C)C ZINC000052622437 167009964 /nfs/dbraw/zinc/00/99/64/167009964.db2.gz MLSBOKZPVSVIAM-UHFFFAOYSA-N 1 0 239.359 3.198 10 0 BGAERO CC(C)C[NH2+]Cc1ccc(COCC(C)C)o1 ZINC000052622465 167008298 /nfs/dbraw/zinc/00/82/98/167008298.db2.gz RZFIZFBYUUPCRF-UHFFFAOYSA-N 1 0 239.359 3.198 10 0 BGAERO CCC[NH2+]Cc1cc(COCC(C)C)c(C)o1 ZINC000052622740 169266021 /nfs/dbraw/zinc/26/60/21/169266021.db2.gz LPBXRVJDRSYGCN-UHFFFAOYSA-N 1 0 239.359 3.260 10 0 BGAERO CC[C@@H](C[NH2+]C1CC1)O[C@@H](C)c1ccccc1 ZINC000052623878 170827664 /nfs/dbraw/zinc/82/76/64/170827664.db2.gz ZIZGULSZAJIUSJ-WFASDCNBSA-N 1 0 233.355 3.295 10 0 BGAERO C[C@H](OCc1ccc(C[NH3+])o1)c1ccccc1 ZINC000052624022 177021723 /nfs/dbraw/zinc/02/17/23/177021723.db2.gz RIAVPZORBPPOEN-NSHDSACASA-N 1 0 231.295 3.016 10 0 BGAERO C[C@@H](OCc1ccc(C[NH3+])o1)c1ccccc1 ZINC000052624025 176003282 /nfs/dbraw/zinc/00/32/82/176003282.db2.gz RIAVPZORBPPOEN-LLVKDONJSA-N 1 0 231.295 3.016 10 0 BGAERO C[C@H](OCc1ccoc1C[NH3+])c1ccccc1 ZINC000052624051 177021732 /nfs/dbraw/zinc/02/17/32/177021732.db2.gz XQSJIZVOPCKTHV-NSHDSACASA-N 1 0 231.295 3.016 10 0 BGAERO C[C@@H](OCc1ccoc1C[NH3+])c1ccccc1 ZINC000052624053 176003176 /nfs/dbraw/zinc/00/31/76/176003176.db2.gz XQSJIZVOPCKTHV-LLVKDONJSA-N 1 0 231.295 3.016 10 0 BGAERO CC[NH2+]Cc1cc(COCCC(C)C)oc1C ZINC000052624536 170125758 /nfs/dbraw/zinc/12/57/58/170125758.db2.gz UUXKXZPANPESPE-UHFFFAOYSA-N 1 0 239.359 3.260 10 0 BGAERO CC[NH2+]Cc1ccc(COCCC(C)C)cc1 ZINC000052624726 170127000 /nfs/dbraw/zinc/12/70/00/170127000.db2.gz IYODARVJVNCCIM-UHFFFAOYSA-N 1 0 235.371 3.359 10 0 BGAERO CC[C@H](C[NH2+]C)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000052625280 171437741 /nfs/dbraw/zinc/43/77/41/171437741.db2.gz DXONCVPVPCUJRS-KBUPBQIOSA-N 1 0 241.419 3.462 10 0 BGAERO CC(C)OCc1c2ccccc2sc1C[NH3+] ZINC000052626763 167271489 /nfs/dbraw/zinc/27/14/89/167271489.db2.gz NTLMMHFUZRDMKC-UHFFFAOYSA-N 1 0 235.352 3.285 10 0 BGAERO Cc1cc(COC(C)C)oc1C[NH2+]CC(C)C ZINC000052626980 178046810 /nfs/dbraw/zinc/04/68/10/178046810.db2.gz AUVDDKFRLZZNQA-UHFFFAOYSA-N 1 0 239.359 3.259 10 0 BGAERO CC[NH2+]CCCCO[C@@H]1CCCc2ccccc21 ZINC000052627745 170113014 /nfs/dbraw/zinc/11/30/14/170113014.db2.gz JKPXQSGZOBWSOB-MRXNPFEDSA-N 1 0 247.382 3.470 10 0 BGAERO CC[NH2+]CCCCO[C@H]1CCCc2ccccc21 ZINC000052627748 170113058 /nfs/dbraw/zinc/11/30/58/170113058.db2.gz JKPXQSGZOBWSOB-INIZCTEOSA-N 1 0 247.382 3.470 10 0 BGAERO CC(C)(C)OCc1cccc(C[NH2+]C2CC2)c1 ZINC000052629601 166684923 /nfs/dbraw/zinc/68/49/23/166684923.db2.gz OZKRAUNJVKJNNG-UHFFFAOYSA-N 1 0 233.355 3.254 10 0 BGAERO CC(C)(C)OCc1c2ccccc2oc1C[NH3+] ZINC000052629638 166684513 /nfs/dbraw/zinc/68/45/13/166684513.db2.gz JOCBIIWOPKZRJV-UHFFFAOYSA-N 1 0 233.311 3.207 10 0 BGAERO C[NH2+]Cc1c2ccccc2oc1COC(C)(C)C ZINC000052629723 173385229 /nfs/dbraw/zinc/38/52/29/173385229.db2.gz FPZOLTBSBIEGIT-UHFFFAOYSA-N 1 0 247.338 3.467 10 0 BGAERO C[NH2+]Cc1cc(COCCCC(C)C)oc1C ZINC000052630223 173387351 /nfs/dbraw/zinc/38/73/51/173387351.db2.gz LGDFZPSSESKSBR-UHFFFAOYSA-N 1 0 239.359 3.260 10 0 BGAERO CC[NH2+]Cc1occc1COCCCC(C)C ZINC000052630246 170133170 /nfs/dbraw/zinc/13/31/70/170133170.db2.gz GXHCLIYVJQMDDN-UHFFFAOYSA-N 1 0 239.359 3.342 10 0 BGAERO CC[NH2+]Cc1coc(COCCCC(C)C)c1 ZINC000052630300 170130134 /nfs/dbraw/zinc/13/01/34/170130134.db2.gz QKDDDHPPQUTBPR-UHFFFAOYSA-N 1 0 239.359 3.342 10 0 BGAERO C[NH2+]Cc1cc(COCCCC(C)C)c(C)o1 ZINC000052630363 173386895 /nfs/dbraw/zinc/38/68/95/173386895.db2.gz KZBHWUBHYUFEFB-UHFFFAOYSA-N 1 0 239.359 3.260 10 0 BGAERO C[NH2+]Cc1oc(COCCCC(C)C)cc1C ZINC000052630390 173399455 /nfs/dbraw/zinc/39/94/55/173399455.db2.gz ONWIOLIXKHESKB-UHFFFAOYSA-N 1 0 239.359 3.260 10 0 BGAERO CCC(C)(C)OCc1ccc(C[NH2+]C(C)C)o1 ZINC000052630501 168304582 /nfs/dbraw/zinc/30/45/82/168304582.db2.gz UFXAECHPKAAHDG-UHFFFAOYSA-N 1 0 239.359 3.483 10 0 BGAERO C[NH2+]Cc1ccoc1CO[C@H]1CCC[C@@H](C)C1 ZINC000052631735 173391867 /nfs/dbraw/zinc/39/18/67/173391867.db2.gz ODDWEUMPPROXJJ-YPMHNXCESA-N 1 0 237.343 3.094 10 0 BGAERO C[NH2+]Cc1ccoc1CO[C@H]1CCC[C@H](C)C1 ZINC000052631736 173391424 /nfs/dbraw/zinc/39/14/24/173391424.db2.gz ODDWEUMPPROXJJ-AAEUAGOBSA-N 1 0 237.343 3.094 10 0 BGAERO C[NH2+]Cc1ccoc1CO[C@@H]1CCC[C@@H](C)C1 ZINC000052631737 173391355 /nfs/dbraw/zinc/39/13/55/173391355.db2.gz ODDWEUMPPROXJJ-DGCLKSJQSA-N 1 0 237.343 3.094 10 0 BGAERO C[NH2+]Cc1ccoc1CO[C@@H]1CCC[C@H](C)C1 ZINC000052631738 173391771 /nfs/dbraw/zinc/39/17/71/173391771.db2.gz ODDWEUMPPROXJJ-WCQYABFASA-N 1 0 237.343 3.094 10 0 BGAERO C[NH2+]Cc1occc1CO[C@H]1CCC[C@@H](C)C1 ZINC000052631843 173399644 /nfs/dbraw/zinc/39/96/44/173399644.db2.gz FVLCTPRDYHDRPI-YPMHNXCESA-N 1 0 237.343 3.094 10 0 BGAERO C[NH2+]Cc1occc1CO[C@H]1CCC[C@H](C)C1 ZINC000052631844 173399392 /nfs/dbraw/zinc/39/93/92/173399392.db2.gz FVLCTPRDYHDRPI-AAEUAGOBSA-N 1 0 237.343 3.094 10 0 BGAERO Cc1cc(CO[C@@H]2CCC[C@H](C)C2)oc1C[NH3+] ZINC000052631971 178049356 /nfs/dbraw/zinc/04/93/56/178049356.db2.gz RZMCAUGWEWKKEF-CMPLNLGQSA-N 1 0 237.343 3.142 10 0 BGAERO Cc1cc(CO[C@H]2CCC[C@H](C)C2)oc1C[NH3+] ZINC000052631972 178048556 /nfs/dbraw/zinc/04/85/56/178048556.db2.gz RZMCAUGWEWKKEF-JQWIXIFHSA-N 1 0 237.343 3.142 10 0 BGAERO Cc1cc(CO[C@@H]2CCC[C@@H](C)C2)oc1C[NH3+] ZINC000052631973 178049464 /nfs/dbraw/zinc/04/94/64/178049464.db2.gz RZMCAUGWEWKKEF-ZYHUDNBSSA-N 1 0 237.343 3.142 10 0 BGAERO Cc1cc(CO[C@H]2CCC[C@@H](C)C2)oc1C[NH3+] ZINC000052631974 178049029 /nfs/dbraw/zinc/04/90/29/178049029.db2.gz RZMCAUGWEWKKEF-PWSUYJOCSA-N 1 0 237.343 3.142 10 0 BGAERO CC(C)C[NH2+]CCCOC[C@H]1CC=CC[C@H]1C ZINC000052632484 167002849 /nfs/dbraw/zinc/00/28/49/167002849.db2.gz KFKGVYCPMDGEHL-HUUCEWRRSA-N 1 0 239.403 3.241 10 0 BGAERO CC(C)C[NH2+]CCCOC[C@H]1CC=CC[C@@H]1C ZINC000052632486 167002718 /nfs/dbraw/zinc/00/27/18/167002718.db2.gz KFKGVYCPMDGEHL-LSDHHAIUSA-N 1 0 239.403 3.241 10 0 BGAERO CC(C)C[NH2+]CCCOC[C@@H]1CC=CC[C@H]1C ZINC000052632489 167003066 /nfs/dbraw/zinc/00/30/66/167003066.db2.gz KFKGVYCPMDGEHL-CABCVRRESA-N 1 0 239.403 3.241 10 0 BGAERO CC(C)C[NH2+]CCCOC[C@@H]1CC=CC[C@@H]1C ZINC000052632491 167003685 /nfs/dbraw/zinc/00/36/85/167003685.db2.gz KFKGVYCPMDGEHL-GJZGRUSLSA-N 1 0 239.403 3.241 10 0 BGAERO C[C@@H]1CC=CC[C@@H]1CO[C@@H](C[NH3+])c1ccccc1 ZINC000052632791 176059166 /nfs/dbraw/zinc/05/91/66/176059166.db2.gz QAFUBRZPXURQIW-BMFZPTHFSA-N 1 0 245.366 3.305 10 0 BGAERO C[C@@H]1CC=CC[C@H]1CO[C@@H](C[NH3+])c1ccccc1 ZINC000052632796 176061616 /nfs/dbraw/zinc/06/16/16/176061616.db2.gz QAFUBRZPXURQIW-KBMXLJTQSA-N 1 0 245.366 3.305 10 0 BGAERO C[C@H]1CC=CC[C@H]1CO[C@@H](C[NH3+])c1ccccc1 ZINC000052632798 177068586 /nfs/dbraw/zinc/06/85/86/177068586.db2.gz QAFUBRZPXURQIW-BPUTZDHNSA-N 1 0 245.366 3.305 10 0 BGAERO C[NH2+]CCCCOc1cccc(C(F)(F)F)c1 ZINC000052642171 173346394 /nfs/dbraw/zinc/34/63/94/173346394.db2.gz RGQYSYFYRQPUMO-UHFFFAOYSA-N 1 0 247.260 3.084 10 0 BGAERO CC(C)[NH2+]Cc1ccccc1COCC1CC1 ZINC000052642928 167121486 /nfs/dbraw/zinc/12/14/86/167121486.db2.gz PUQPNMBPBKFTQY-UHFFFAOYSA-N 1 0 233.355 3.111 10 0 BGAERO CC[C@H](C[NH2+]C(C)C)OC/C=C/c1ccccc1 ZINC000052643439 171436829 /nfs/dbraw/zinc/43/68/29/171436829.db2.gz WKJVRAJDTROHLK-YCABEKBOSA-N 1 0 247.382 3.493 10 0 BGAERO CCCOCc1cc(C[NH2+]CC(C)C)c(C)o1 ZINC000052644360 169309818 /nfs/dbraw/zinc/30/98/18/169309818.db2.gz JSSCYTCEFYUAIT-UHFFFAOYSA-N 1 0 239.359 3.260 10 0 BGAERO CCCOCc1oc2ccccc2c1C[NH2+]CC ZINC000052644542 169311198 /nfs/dbraw/zinc/31/11/98/169311198.db2.gz YIPPCEAQCKWILH-UHFFFAOYSA-N 1 0 247.338 3.469 10 0 BGAERO CCCOCc1ccc(C[NH2+]CC(C)C)cc1 ZINC000052644569 169309476 /nfs/dbraw/zinc/30/94/76/169309476.db2.gz GYWYVJXTMTZUPM-UHFFFAOYSA-N 1 0 235.371 3.359 10 0 BGAERO CCCCOCc1occc1C[NH2+]C(C)C ZINC000052644852 168907861 /nfs/dbraw/zinc/90/78/61/168907861.db2.gz JAZIDJAVFOUSME-UHFFFAOYSA-N 1 0 225.332 3.094 10 0 BGAERO CCCCOCc1oc2ccccc2c1C[NH2+]C ZINC000052645019 168908055 /nfs/dbraw/zinc/90/80/55/168908055.db2.gz CVMDZZAGADDMFA-UHFFFAOYSA-N 1 0 247.338 3.469 10 0 BGAERO CC(C)(C)[NH2+]CCCCCOc1cccnc1 ZINC000052646645 166630886 /nfs/dbraw/zinc/63/08/86/166630886.db2.gz IYJNWBIAWJGOSW-UHFFFAOYSA-N 1 0 236.359 3.019 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1cccc(CC)c1 ZINC000052647683 169262997 /nfs/dbraw/zinc/26/29/97/169262997.db2.gz GPIGWTNYEXNFLS-GFCCVEGCSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1cccc(CC)c1 ZINC000052647684 169263480 /nfs/dbraw/zinc/26/34/80/169263480.db2.gz GPIGWTNYEXNFLS-LBPRGKRZSA-N 1 0 221.344 3.016 10 0 BGAERO CC[NH2+]CCC[C@H](C)Oc1cccc(CC)c1 ZINC000052647891 170113381 /nfs/dbraw/zinc/11/33/81/170113381.db2.gz VOXBBZUKSWYFEU-ZDUSSCGKSA-N 1 0 235.371 3.406 10 0 BGAERO CC[NH2+]CCC[C@@H](C)Oc1cccc(CC)c1 ZINC000052647893 170112492 /nfs/dbraw/zinc/11/24/92/170112492.db2.gz VOXBBZUKSWYFEU-CYBMUJFWSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1ccc(Cl)c(C)c1 ZINC000052648110 169262791 /nfs/dbraw/zinc/26/27/91/169262791.db2.gz GEKCFNZOFHFIOM-LLVKDONJSA-N 1 0 241.762 3.415 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1ccc(Cl)c(C)c1 ZINC000052648112 169263224 /nfs/dbraw/zinc/26/32/24/169263224.db2.gz GEKCFNZOFHFIOM-NSHDSACASA-N 1 0 241.762 3.415 10 0 BGAERO CCC[NH2+]C[C@H](Oc1ccc(C)cc1)C(C)C ZINC000052649367 169264962 /nfs/dbraw/zinc/26/49/62/169264962.db2.gz WMPQYLQNEKKBTC-HNNXBMFYSA-N 1 0 235.371 3.398 10 0 BGAERO CCC[NH2+]C[C@@H](Oc1ccc(C)cc1)C(C)C ZINC000052649369 169262950 /nfs/dbraw/zinc/26/29/50/169262950.db2.gz WMPQYLQNEKKBTC-OAHLLOKOSA-N 1 0 235.371 3.398 10 0 BGAERO CC[NH2+]Cc1ccoc1COc1ccc(C)cc1 ZINC000052649475 170128976 /nfs/dbraw/zinc/12/89/76/170128976.db2.gz FPKXGHILYJMKGZ-UHFFFAOYSA-N 1 0 245.322 3.277 10 0 BGAERO C[NH2+]Cc1cc(COc2ccc(C)cc2)oc1C ZINC000052649485 173387114 /nfs/dbraw/zinc/38/71/14/173387114.db2.gz HAMZFJPQLTXQGL-UHFFFAOYSA-N 1 0 245.322 3.195 10 0 BGAERO C[NH2+]Cc1cc(COc2ccc(C)cc2)c(C)o1 ZINC000052649697 173386759 /nfs/dbraw/zinc/38/67/59/173386759.db2.gz BYYYGJNPOJEHDT-UHFFFAOYSA-N 1 0 245.322 3.195 10 0 BGAERO C[NH2+]CCCCOc1ccccc1C(F)(F)F ZINC000052650269 173345676 /nfs/dbraw/zinc/34/56/76/173345676.db2.gz SWCLLWOCFCTAQV-UHFFFAOYSA-N 1 0 247.260 3.084 10 0 BGAERO C[C@H](C[NH2+]C(C)(C)C)Oc1ccc(F)cc1F ZINC000052650621 176678283 /nfs/dbraw/zinc/67/82/83/176678283.db2.gz RNBNMYYQKHXPFF-SECBINFHSA-N 1 0 243.297 3.120 10 0 BGAERO Cc1cc(Cl)cc(C)c1OCCCC[NH3+] ZINC000052651417 178063626 /nfs/dbraw/zinc/06/36/26/178063626.db2.gz IPJOCKBGDSBUQQ-UHFFFAOYSA-N 1 0 227.735 3.075 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1ccc(C)cc1C ZINC000052652909 169262774 /nfs/dbraw/zinc/26/27/74/169262774.db2.gz INEWHPVAYWIEQI-CYBMUJFWSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1ccc(C)cc1C ZINC000052652910 169263957 /nfs/dbraw/zinc/26/39/57/169263957.db2.gz INEWHPVAYWIEQI-ZDUSSCGKSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+]C[C@@H](CC)Oc1ccc(C)cc1C ZINC000052652936 169262883 /nfs/dbraw/zinc/26/28/83/169262883.db2.gz XFGGZKJWFUZESK-CQSZACIVSA-N 1 0 235.371 3.460 10 0 BGAERO CCC[NH2+]C[C@H](CC)Oc1ccc(C)cc1C ZINC000052652938 169263435 /nfs/dbraw/zinc/26/34/35/169263435.db2.gz XFGGZKJWFUZESK-AWEZNQCLSA-N 1 0 235.371 3.460 10 0 BGAERO CC[NH2+]CCC[C@@H](C)Oc1ccc(C)cc1C ZINC000052653108 170112614 /nfs/dbraw/zinc/11/26/14/170112614.db2.gz LRAYJKGWFSHMAU-CQSZACIVSA-N 1 0 235.371 3.460 10 0 BGAERO CC[NH2+]CCC[C@H](C)Oc1ccc(C)cc1C ZINC000052653110 170113446 /nfs/dbraw/zinc/11/34/46/170113446.db2.gz LRAYJKGWFSHMAU-AWEZNQCLSA-N 1 0 235.371 3.460 10 0 BGAERO C[NH2+]C[C@H](Oc1ccc(C(C)C)cc1)C(C)C ZINC000052653279 173378247 /nfs/dbraw/zinc/37/82/47/173378247.db2.gz XMASLAZZBOPCNP-HNNXBMFYSA-N 1 0 235.371 3.433 10 0 BGAERO C[NH2+]C[C@@H](Oc1ccc(C(C)C)cc1)C(C)C ZINC000052653281 173367282 /nfs/dbraw/zinc/36/72/82/173367282.db2.gz XMASLAZZBOPCNP-OAHLLOKOSA-N 1 0 235.371 3.433 10 0 BGAERO C[NH2+]C[C@H](Oc1cccc(C(C)C)c1)C(C)C ZINC000052653566 173377909 /nfs/dbraw/zinc/37/79/09/173377909.db2.gz LLUARODLCIHAQK-HNNXBMFYSA-N 1 0 235.371 3.433 10 0 BGAERO C[NH2+]C[C@@H](Oc1cccc(C(C)C)c1)C(C)C ZINC000052653568 173366802 /nfs/dbraw/zinc/36/68/02/173366802.db2.gz LLUARODLCIHAQK-OAHLLOKOSA-N 1 0 235.371 3.433 10 0 BGAERO Cc1cccc(O[C@@H](C[NH2+]C2CC2)C(C)C)c1C ZINC000052654497 179174493 /nfs/dbraw/zinc/17/44/93/179174493.db2.gz CROOAAHILWLHHL-INIZCTEOSA-N 1 0 247.382 3.459 10 0 BGAERO Cc1cccc(O[C@H](C[NH2+]C2CC2)C(C)C)c1C ZINC000052654498 179174762 /nfs/dbraw/zinc/17/47/62/179174762.db2.gz CROOAAHILWLHHL-MRXNPFEDSA-N 1 0 247.382 3.459 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1cccc(C)c1C ZINC000052654527 169262433 /nfs/dbraw/zinc/26/24/33/169262433.db2.gz NVHKDTWGUDULPK-GFCCVEGCSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1cccc(C)c1C ZINC000052654529 169263607 /nfs/dbraw/zinc/26/36/07/169263607.db2.gz NVHKDTWGUDULPK-LBPRGKRZSA-N 1 0 221.344 3.070 10 0 BGAERO Cc1cccc(O[C@@H](C)C[NH2+]CC(C)C)c1C ZINC000052654543 179173821 /nfs/dbraw/zinc/17/38/21/179173821.db2.gz RKTQKUIMGMVFOR-ZDUSSCGKSA-N 1 0 235.371 3.316 10 0 BGAERO Cc1cccc(O[C@H](C)C[NH2+]CC(C)C)c1C ZINC000052654545 179174544 /nfs/dbraw/zinc/17/45/44/179174544.db2.gz RKTQKUIMGMVFOR-CYBMUJFWSA-N 1 0 235.371 3.316 10 0 BGAERO Cc1oc(COc2cccc(C)c2C)cc1C[NH3+] ZINC000052654648 179172500 /nfs/dbraw/zinc/17/25/00/179172500.db2.gz OCMFZYUIGHTMCL-UHFFFAOYSA-N 1 0 245.322 3.243 10 0 BGAERO Cc1cc(COc2cccc(C)c2C)oc1C[NH3+] ZINC000052654694 178049395 /nfs/dbraw/zinc/04/93/95/178049395.db2.gz PSQHIAMXLWDIDB-UHFFFAOYSA-N 1 0 245.322 3.243 10 0 BGAERO CC[NH2+]CCC[C@@H](C)Oc1cccc(C)c1C ZINC000052654736 170112617 /nfs/dbraw/zinc/11/26/17/170112617.db2.gz KUXAWVLJJGIRCN-CYBMUJFWSA-N 1 0 235.371 3.460 10 0 BGAERO CC[NH2+]CCC[C@H](C)Oc1cccc(C)c1C ZINC000052654737 170113711 /nfs/dbraw/zinc/11/37/11/170113711.db2.gz KUXAWVLJJGIRCN-ZDUSSCGKSA-N 1 0 235.371 3.460 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1ccc(CC)cc1 ZINC000052655414 169262371 /nfs/dbraw/zinc/26/23/71/169262371.db2.gz IQNPDRZGOHJLPO-GFCCVEGCSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1ccc(CC)cc1 ZINC000052655416 169263648 /nfs/dbraw/zinc/26/36/48/169263648.db2.gz IQNPDRZGOHJLPO-LBPRGKRZSA-N 1 0 221.344 3.016 10 0 BGAERO CCc1ccc(O[C@H](C)C[NH2+]CC(C)C)cc1 ZINC000052655430 187781808 /nfs/dbraw/zinc/78/18/08/187781808.db2.gz UOJRILKUZGJTPS-CYBMUJFWSA-N 1 0 235.371 3.262 10 0 BGAERO CC[NH2+]CCC[C@H](C)Oc1ccc(CC)cc1 ZINC000052655599 170113541 /nfs/dbraw/zinc/11/35/41/170113541.db2.gz CWHHCGSSRWSXEZ-ZDUSSCGKSA-N 1 0 235.371 3.406 10 0 BGAERO CC[NH2+]CCC[C@@H](C)Oc1ccc(CC)cc1 ZINC000052655601 170112803 /nfs/dbraw/zinc/11/28/03/170112803.db2.gz CWHHCGSSRWSXEZ-CYBMUJFWSA-N 1 0 235.371 3.406 10 0 BGAERO C[NH2+]CCCCOc1cc(C)ccc1C(C)C ZINC000052663004 173345211 /nfs/dbraw/zinc/34/52/11/173345211.db2.gz QCILTSNZQRQSGJ-UHFFFAOYSA-N 1 0 235.371 3.497 10 0 BGAERO Cc1cc(O[C@@H](C[NH3+])C(C)C)ccc1C(C)C ZINC000052663300 178212869 /nfs/dbraw/zinc/21/28/69/178212869.db2.gz NXOHGZZYRCGZJA-HNNXBMFYSA-N 1 0 235.371 3.481 10 0 BGAERO Cc1cc(O[C@H](C[NH3+])C(C)C)ccc1C(C)C ZINC000052663302 178214844 /nfs/dbraw/zinc/21/48/44/178214844.db2.gz NXOHGZZYRCGZJA-OAHLLOKOSA-N 1 0 235.371 3.481 10 0 BGAERO CC[C@@H](C[NH2+]C)Oc1ccc(C(C)(C)C)cc1 ZINC000052663422 170827643 /nfs/dbraw/zinc/82/76/43/170827643.db2.gz VGWSPRFSEGDERA-ZDUSSCGKSA-N 1 0 235.371 3.361 10 0 BGAERO CC[C@H](C[NH2+]C)Oc1ccc(C(C)(C)C)cc1 ZINC000052663424 171437479 /nfs/dbraw/zinc/43/74/79/171437479.db2.gz VGWSPRFSEGDERA-CYBMUJFWSA-N 1 0 235.371 3.361 10 0 BGAERO CCC[NH2+]C[C@H](Oc1ccccc1F)C(C)C ZINC000052663570 169264353 /nfs/dbraw/zinc/26/43/53/169264353.db2.gz ICRLBGZHJCQVQJ-AWEZNQCLSA-N 1 0 239.334 3.229 10 0 BGAERO CCC[NH2+]C[C@@H](Oc1ccccc1F)C(C)C ZINC000052663572 169262058 /nfs/dbraw/zinc/26/20/58/169262058.db2.gz ICRLBGZHJCQVQJ-CQSZACIVSA-N 1 0 239.334 3.229 10 0 BGAERO CCC[NH2+]CCC[C@@H](C)Oc1ccccc1F ZINC000052663840 169257157 /nfs/dbraw/zinc/25/71/57/169257157.db2.gz MNSKZZVCCJZDNW-GFCCVEGCSA-N 1 0 239.334 3.373 10 0 BGAERO CCC[NH2+]CCC[C@H](C)Oc1ccccc1F ZINC000052663842 169258367 /nfs/dbraw/zinc/25/83/67/169258367.db2.gz MNSKZZVCCJZDNW-LBPRGKRZSA-N 1 0 239.334 3.373 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1ccccc1Cl ZINC000052664488 169261995 /nfs/dbraw/zinc/26/19/95/169261995.db2.gz QRAOIDGEVFVUHE-SNVBAGLBSA-N 1 0 227.735 3.107 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1ccccc1Cl ZINC000052664490 169264081 /nfs/dbraw/zinc/26/40/81/169264081.db2.gz QRAOIDGEVFVUHE-JTQLQIEISA-N 1 0 227.735 3.107 10 0 BGAERO CC[NH2+]CCCCOc1ccc(Cl)cc1 ZINC000052664913 170112640 /nfs/dbraw/zinc/11/26/40/170112640.db2.gz ACFHAHPFAGPBEA-UHFFFAOYSA-N 1 0 227.735 3.109 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1ccc(Cl)cc1 ZINC000052664925 169262132 /nfs/dbraw/zinc/26/21/32/169262132.db2.gz LSCOLQPTXJZKGB-SNVBAGLBSA-N 1 0 227.735 3.107 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1ccc(Cl)cc1 ZINC000052664927 169263432 /nfs/dbraw/zinc/26/34/32/169263432.db2.gz LSCOLQPTXJZKGB-JTQLQIEISA-N 1 0 227.735 3.107 10 0 BGAERO CCC(C)(C)c1ccc(O[C@@H](C)C[NH2+]C)cc1 ZINC000052665297 168305435 /nfs/dbraw/zinc/30/54/35/168305435.db2.gz LVIKJARTUQXIPQ-LBPRGKRZSA-N 1 0 235.371 3.361 10 0 BGAERO CCC(C)(C)c1ccc(O[C@H](C)C[NH2+]C)cc1 ZINC000052665299 168305771 /nfs/dbraw/zinc/30/57/71/168305771.db2.gz LVIKJARTUQXIPQ-GFCCVEGCSA-N 1 0 235.371 3.361 10 0 BGAERO CC[NH2+]C[C@H](Oc1cc(C)ccc1C)C(C)C ZINC000052665420 170122339 /nfs/dbraw/zinc/12/23/39/170122339.db2.gz LQAHOCFBZMGHFC-HNNXBMFYSA-N 1 0 235.371 3.316 10 0 BGAERO CC[NH2+]C[C@@H](Oc1cc(C)ccc1C)C(C)C ZINC000052665422 170120188 /nfs/dbraw/zinc/12/01/88/170120188.db2.gz LQAHOCFBZMGHFC-OAHLLOKOSA-N 1 0 235.371 3.316 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1cc(C)ccc1C ZINC000052665453 169260984 /nfs/dbraw/zinc/26/09/84/169260984.db2.gz RXTZFYUCPZATAM-CYBMUJFWSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1cc(C)ccc1C ZINC000052665455 169263297 /nfs/dbraw/zinc/26/32/97/169263297.db2.gz RXTZFYUCPZATAM-ZDUSSCGKSA-N 1 0 221.344 3.070 10 0 BGAERO CC[NH2+]CCC[C@@H](C)Oc1cc(C)ccc1C ZINC000052665649 170113035 /nfs/dbraw/zinc/11/30/35/170113035.db2.gz LMTKGKJJFYNSNC-CQSZACIVSA-N 1 0 235.371 3.460 10 0 BGAERO CC[NH2+]CCC[C@H](C)Oc1cc(C)ccc1C ZINC000052665651 170112661 /nfs/dbraw/zinc/11/26/61/170112661.db2.gz LMTKGKJJFYNSNC-AWEZNQCLSA-N 1 0 235.371 3.460 10 0 BGAERO Cc1ccc(O[C@@H](C[NH2+]C2CC2)C(C)C)cc1C ZINC000052665839 178817882 /nfs/dbraw/zinc/81/78/82/178817882.db2.gz ONDQDWFGNYNNAN-INIZCTEOSA-N 1 0 247.382 3.459 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000052665868 169263010 /nfs/dbraw/zinc/26/30/10/169263010.db2.gz NSXGYSAOMJBLHW-CYBMUJFWSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1ccc(C)c(C)c1 ZINC000052665870 169263247 /nfs/dbraw/zinc/26/32/47/169263247.db2.gz NSXGYSAOMJBLHW-ZDUSSCGKSA-N 1 0 221.344 3.070 10 0 BGAERO CC[NH2+]C[C@H](Oc1cc(C)cc(C)c1)C(C)C ZINC000052666244 170122587 /nfs/dbraw/zinc/12/25/87/170122587.db2.gz FMLYPSLNNSYEQL-HNNXBMFYSA-N 1 0 235.371 3.316 10 0 BGAERO CC[NH2+]C[C@@H](Oc1cc(C)cc(C)c1)C(C)C ZINC000052666246 170120478 /nfs/dbraw/zinc/12/04/78/170120478.db2.gz FMLYPSLNNSYEQL-OAHLLOKOSA-N 1 0 235.371 3.316 10 0 BGAERO CCC[NH2+]CCCCOc1cc(C)cc(C)c1 ZINC000052666264 169256433 /nfs/dbraw/zinc/25/64/33/169256433.db2.gz RMXZGVQLZLBQPM-UHFFFAOYSA-N 1 0 235.371 3.462 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1cc(C)cc(C)c1 ZINC000052666284 169261100 /nfs/dbraw/zinc/26/11/00/169261100.db2.gz OIBOKKFPUDAVIH-CYBMUJFWSA-N 1 0 221.344 3.070 10 0 BGAERO Cc1cccc(O[C@@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052666680 179174372 /nfs/dbraw/zinc/17/43/72/179174372.db2.gz VZWOIEULJIPWBD-HNNXBMFYSA-N 1 0 233.355 3.150 10 0 BGAERO C[NH2+]Cc1cccc(COc2cccc(C)c2)c1 ZINC000052666773 187954625 /nfs/dbraw/zinc/95/46/25/187954625.db2.gz RWRNVPZNBHHJJG-UHFFFAOYSA-N 1 0 241.334 3.293 10 0 BGAERO C[NH2+]Cc1ccccc1COc1cccc(C)c1 ZINC000052667031 173390160 /nfs/dbraw/zinc/39/01/60/173390160.db2.gz DTXIESBUZNNBTD-UHFFFAOYSA-N 1 0 241.334 3.293 10 0 BGAERO C[NH2+]C[C@H](Oc1cccc(C)c1)c1ccccc1 ZINC000052667047 173378001 /nfs/dbraw/zinc/37/80/01/173378001.db2.gz SOVUKYJLNNTIGY-INIZCTEOSA-N 1 0 241.334 3.335 10 0 BGAERO C[NH2+]C[C@@H](Oc1cccc(C)c1)c1ccccc1 ZINC000052667048 173366791 /nfs/dbraw/zinc/36/67/91/173366791.db2.gz SOVUKYJLNNTIGY-MRXNPFEDSA-N 1 0 241.334 3.335 10 0 BGAERO C[NH2+]Cc1ccccc1COc1ccccc1C ZINC000052667489 173390237 /nfs/dbraw/zinc/39/02/37/173390237.db2.gz WFFUBWAUJPDGIQ-UHFFFAOYSA-N 1 0 241.334 3.293 10 0 BGAERO C[NH2+]Cc1cc(COc2ccc(F)cc2)oc1C ZINC000052667718 173387430 /nfs/dbraw/zinc/38/74/30/173387430.db2.gz SDXGWMWSJXKVQP-UHFFFAOYSA-N 1 0 249.285 3.026 10 0 BGAERO CC(C)[NH2+]CCC[C@@H](C)Oc1ccc(F)cc1 ZINC000052667843 167103026 /nfs/dbraw/zinc/10/30/26/167103026.db2.gz GMMOPCXAZJQKMK-GFCCVEGCSA-N 1 0 239.334 3.371 10 0 BGAERO CC(C)[NH2+]CCC[C@H](C)Oc1ccc(F)cc1 ZINC000052667845 167102180 /nfs/dbraw/zinc/10/21/80/167102180.db2.gz GMMOPCXAZJQKMK-LBPRGKRZSA-N 1 0 239.334 3.371 10 0 BGAERO C[NH2+]Cc1cc(COc2ccc(F)cc2)c(C)o1 ZINC000052667940 173386923 /nfs/dbraw/zinc/38/69/23/173386923.db2.gz NPLSSYOMVSFLMF-UHFFFAOYSA-N 1 0 249.285 3.026 10 0 BGAERO C[NH2+]C[C@H](Oc1ccc(F)cc1)c1ccccc1 ZINC000052667967 173377852 /nfs/dbraw/zinc/37/78/52/173377852.db2.gz LUCUQMKFZDURET-HNNXBMFYSA-N 1 0 245.297 3.165 10 0 BGAERO C[NH2+]C[C@@H](Oc1ccc(F)cc1)c1ccccc1 ZINC000052667969 173367257 /nfs/dbraw/zinc/36/72/57/173367257.db2.gz LUCUQMKFZDURET-OAHLLOKOSA-N 1 0 245.297 3.165 10 0 BGAERO C[NH2+]Cc1oc(COc2ccc(F)cc2)cc1C ZINC000052668018 173399333 /nfs/dbraw/zinc/39/93/33/173399333.db2.gz LNYGEUWODNFWKT-UHFFFAOYSA-N 1 0 249.285 3.026 10 0 BGAERO CC[NH2+]Cc1cccc(COc2ccccc2)c1 ZINC000052668157 170128309 /nfs/dbraw/zinc/12/83/09/170128309.db2.gz PXBFKEIDDIAKTE-UHFFFAOYSA-N 1 0 241.334 3.375 10 0 BGAERO CCC[NH2+]Cc1ccoc1COc1ccccc1 ZINC000052668171 169268511 /nfs/dbraw/zinc/26/85/11/169268511.db2.gz PJQUKZURESCIOP-UHFFFAOYSA-N 1 0 245.322 3.358 10 0 BGAERO CC(C)C[NH2+]CCC[C@@H](C)Oc1ccccc1 ZINC000052668326 167002150 /nfs/dbraw/zinc/00/21/50/167002150.db2.gz NYCMRDKHZGOMNC-CQSZACIVSA-N 1 0 235.371 3.480 10 0 BGAERO CC(C)C[NH2+]CCC[C@H](C)Oc1ccccc1 ZINC000052668328 167004480 /nfs/dbraw/zinc/00/44/80/167004480.db2.gz NYCMRDKHZGOMNC-AWEZNQCLSA-N 1 0 235.371 3.480 10 0 BGAERO CC[C@H](C)OCc1occc1C[NH2+]CC(C)C ZINC000052668782 171355487 /nfs/dbraw/zinc/35/54/87/171355487.db2.gz KDCMNGYUTDZHRF-LBPRGKRZSA-N 1 0 239.359 3.340 10 0 BGAERO CC[C@H](C)OCc1c2ccccc2oc1C[NH2+]C ZINC000052668839 171355376 /nfs/dbraw/zinc/35/53/76/171355376.db2.gz QXOPSXSHYLUJMI-NSHDSACASA-N 1 0 247.338 3.467 10 0 BGAERO CC[C@H](C)OCc1cc(C[NH2+]C(C)(C)C)co1 ZINC000052669109 171355239 /nfs/dbraw/zinc/35/52/39/171355239.db2.gz QNQXVRHYJDITEU-NSHDSACASA-N 1 0 239.359 3.483 10 0 BGAERO CCC[NH2+]Cc1cc(CO[C@@H](C)CC)c(C)o1 ZINC000052669264 169265930 /nfs/dbraw/zinc/26/59/30/169265930.db2.gz DNULAZGOLVNJEM-NSHDSACASA-N 1 0 239.359 3.403 10 0 BGAERO CCC[NH2+]Cc1cc(CO[C@H](C)CC)c(C)o1 ZINC000052669266 169265693 /nfs/dbraw/zinc/26/56/93/169265693.db2.gz DNULAZGOLVNJEM-LLVKDONJSA-N 1 0 239.359 3.403 10 0 BGAERO CCC[NH2+]Cc1oc(CO[C@@H](C)CC)cc1C ZINC000052669329 169269442 /nfs/dbraw/zinc/26/94/42/169269442.db2.gz VORVOAYRMCDDKK-LBPRGKRZSA-N 1 0 239.359 3.403 10 0 BGAERO CCC[NH2+]Cc1oc(CO[C@H](C)CC)cc1C ZINC000052669330 169269065 /nfs/dbraw/zinc/26/90/65/169269065.db2.gz VORVOAYRMCDDKK-GFCCVEGCSA-N 1 0 239.359 3.403 10 0 BGAERO C[NH2+]Cc1ccoc1COC1CCCCCC1 ZINC000052671264 173391552 /nfs/dbraw/zinc/39/15/52/173391552.db2.gz KMMOOEJNCVICIA-UHFFFAOYSA-N 1 0 237.343 3.238 10 0 BGAERO CC[C@@H](C[NH2+]C(C)(C)C)Oc1cccc(F)c1 ZINC000052675560 170827037 /nfs/dbraw/zinc/82/70/37/170827037.db2.gz YQZKYIAMCLHMBW-LBPRGKRZSA-N 1 0 239.334 3.371 10 0 BGAERO C[NH2+]Cc1ccc(COc2cccc(F)c2)cc1 ZINC000052675798 187271603 /nfs/dbraw/zinc/27/16/03/187271603.db2.gz KSSHWXONXCYHNF-UHFFFAOYSA-N 1 0 245.297 3.124 10 0 BGAERO C[NH2+]C[C@@H](Oc1cccc2ccccc21)C(C)C ZINC000052676050 173367221 /nfs/dbraw/zinc/36/72/21/173367221.db2.gz CNNQZDUHXUBCBE-MRXNPFEDSA-N 1 0 243.350 3.463 10 0 BGAERO CC[NH2+]C[C@@H](C)Oc1ccc2ccccc2c1 ZINC000052677343 170119030 /nfs/dbraw/zinc/11/90/30/170119030.db2.gz WWUYYPVUEKZDEV-GFCCVEGCSA-N 1 0 229.323 3.217 10 0 BGAERO CC[NH2+]C[C@H](C)Oc1ccc2ccccc2c1 ZINC000052677346 170122303 /nfs/dbraw/zinc/12/23/03/170122303.db2.gz WWUYYPVUEKZDEV-LBPRGKRZSA-N 1 0 229.323 3.217 10 0 BGAERO CC(C)[C@@H](C[NH3+])Oc1ccc2ccccc2c1 ZINC000052677444 167397625 /nfs/dbraw/zinc/39/76/25/167397625.db2.gz NVSQYCUFTLHCMD-OAHLLOKOSA-N 1 0 229.323 3.202 10 0 BGAERO CC(C)[C@H](C[NH3+])Oc1ccc2ccccc2c1 ZINC000052677446 188126519 /nfs/dbraw/zinc/12/65/19/188126519.db2.gz NVSQYCUFTLHCMD-HNNXBMFYSA-N 1 0 229.323 3.202 10 0 BGAERO C[C@@H](CCC[NH3+])Oc1ccc2ccccc2c1 ZINC000052677463 175666110 /nfs/dbraw/zinc/66/61/10/175666110.db2.gz GCHKQACXOAWIPF-LBPRGKRZSA-N 1 0 229.323 3.346 10 0 BGAERO CC(C)c1ccccc1O[C@H](C)C[NH2+]C1CC1 ZINC000052690934 167645249 /nfs/dbraw/zinc/64/52/49/167645249.db2.gz GIAAAIBSVQAZNM-GFCCVEGCSA-N 1 0 233.355 3.329 10 0 BGAERO CC[NH2+]C[C@H](Oc1ccc2c(c1)CCC2)C(C)C ZINC000052693150 170122663 /nfs/dbraw/zinc/12/26/63/170122663.db2.gz DFWNJQBBLRSYHW-INIZCTEOSA-N 1 0 247.382 3.188 10 0 BGAERO CC[NH2+]C[C@@H](Oc1ccc2c(c1)CCC2)C(C)C ZINC000052693153 170120288 /nfs/dbraw/zinc/12/02/88/170120288.db2.gz DFWNJQBBLRSYHW-MRXNPFEDSA-N 1 0 247.382 3.188 10 0 BGAERO CC(C)C[NH2+]C[C@@H](C)Oc1ccc2c(c1)CCC2 ZINC000052693229 167005221 /nfs/dbraw/zinc/00/52/21/167005221.db2.gz COBNVNANBNFWGK-CYBMUJFWSA-N 1 0 247.382 3.188 10 0 BGAERO CC(C)C[NH2+]C[C@H](C)Oc1ccc2c(c1)CCC2 ZINC000052693232 167007199 /nfs/dbraw/zinc/00/71/99/167007199.db2.gz COBNVNANBNFWGK-ZDUSSCGKSA-N 1 0 247.382 3.188 10 0 BGAERO CC[NH2+]C[C@H](CC)Oc1cccc2cccnc21 ZINC000052693767 170121891 /nfs/dbraw/zinc/12/18/91/170121891.db2.gz FDANITSTKPZGAH-ZDUSSCGKSA-N 1 0 244.338 3.002 10 0 BGAERO CC[NH2+]C[C@@H](CC)Oc1cccc2cccnc21 ZINC000052693770 170118921 /nfs/dbraw/zinc/11/89/21/170118921.db2.gz FDANITSTKPZGAH-CYBMUJFWSA-N 1 0 244.338 3.002 10 0 BGAERO C[NH2+]CCC[C@H](C)Oc1cccc2cccnc21 ZINC000052693929 173350840 /nfs/dbraw/zinc/35/08/40/173350840.db2.gz YFQJDAPRTCDHSL-LBPRGKRZSA-N 1 0 244.338 3.002 10 0 BGAERO C[NH2+]CCC[C@@H](C)Oc1cccc2cccnc21 ZINC000052693933 173349389 /nfs/dbraw/zinc/34/93/89/173349389.db2.gz YFQJDAPRTCDHSL-GFCCVEGCSA-N 1 0 244.338 3.002 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1cc(C)cc(C)c1C ZINC000052694656 169261212 /nfs/dbraw/zinc/26/12/12/169261212.db2.gz UHZBYHLFSYIUFL-CYBMUJFWSA-N 1 0 235.371 3.379 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1cc(C)cc(C)c1C ZINC000052694659 169263457 /nfs/dbraw/zinc/26/34/57/169263457.db2.gz UHZBYHLFSYIUFL-ZDUSSCGKSA-N 1 0 235.371 3.379 10 0 BGAERO Cc1cc(C)c(C)c(OCC[NH2+]CC(C)C)c1 ZINC000052694736 177853931 /nfs/dbraw/zinc/85/39/31/177853931.db2.gz WBHLUEOTNJGLHQ-UHFFFAOYSA-N 1 0 235.371 3.236 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1c(C)ccc(C)c1C ZINC000052696845 169260995 /nfs/dbraw/zinc/26/09/95/169260995.db2.gz NTXVVXUCKAMKSW-CYBMUJFWSA-N 1 0 235.371 3.379 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1c(C)ccc(C)c1C ZINC000052696849 169263502 /nfs/dbraw/zinc/26/35/02/169263502.db2.gz NTXVVXUCKAMKSW-ZDUSSCGKSA-N 1 0 235.371 3.379 10 0 BGAERO CC[NH2+]C[C@H](CC)Oc1c(C)ccc(C)c1C ZINC000052696883 170121862 /nfs/dbraw/zinc/12/18/62/170121862.db2.gz QQRMREHQRXQUBF-AWEZNQCLSA-N 1 0 235.371 3.379 10 0 BGAERO CC[NH2+]C[C@@H](CC)Oc1c(C)ccc(C)c1C ZINC000052696886 170119377 /nfs/dbraw/zinc/11/93/77/170119377.db2.gz QQRMREHQRXQUBF-CQSZACIVSA-N 1 0 235.371 3.379 10 0 BGAERO C[NH2+]CCCCCOc1c(C)ccc(C)c1C ZINC000052697025 173345280 /nfs/dbraw/zinc/34/52/80/173345280.db2.gz BGZWDWLTUKCXFX-UHFFFAOYSA-N 1 0 235.371 3.380 10 0 BGAERO CCc1ccccc1O[C@@H](C[NH2+]C1CC1)C(C)C ZINC000052698157 171891813 /nfs/dbraw/zinc/89/18/13/171891813.db2.gz SALGGJDAGVLPKM-INIZCTEOSA-N 1 0 247.382 3.404 10 0 BGAERO CCc1ccccc1O[C@H](C[NH2+]C1CC1)C(C)C ZINC000052698161 171891417 /nfs/dbraw/zinc/89/14/17/171891417.db2.gz SALGGJDAGVLPKM-MRXNPFEDSA-N 1 0 247.382 3.404 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1ccccc1CC ZINC000052698198 169262310 /nfs/dbraw/zinc/26/23/10/169262310.db2.gz MTTHSUZNWRZLAH-GFCCVEGCSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1ccccc1CC ZINC000052698200 169263743 /nfs/dbraw/zinc/26/37/43/169263743.db2.gz MTTHSUZNWRZLAH-LBPRGKRZSA-N 1 0 221.344 3.016 10 0 BGAERO CCc1ccccc1O[C@@H](C)C[NH2+]CC(C)C ZINC000052698220 171891411 /nfs/dbraw/zinc/89/14/11/171891411.db2.gz ZJLPSEHJTLFZEH-ZDUSSCGKSA-N 1 0 235.371 3.262 10 0 BGAERO CCc1ccccc1O[C@H](C)C[NH2+]CC(C)C ZINC000052698223 171891880 /nfs/dbraw/zinc/89/18/80/171891880.db2.gz ZJLPSEHJTLFZEH-CYBMUJFWSA-N 1 0 235.371 3.262 10 0 BGAERO CCC[NH2+]C[C@@H](CC)Oc1ccccc1CC ZINC000052698239 169262045 /nfs/dbraw/zinc/26/20/45/169262045.db2.gz LILBQWMUZAYLID-CQSZACIVSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+]C[C@H](CC)Oc1ccccc1CC ZINC000052698241 169263484 /nfs/dbraw/zinc/26/34/84/169263484.db2.gz LILBQWMUZAYLID-AWEZNQCLSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+]C[C@H](CC)Oc1ccc(F)c(F)c1 ZINC000052700351 169263561 /nfs/dbraw/zinc/26/35/61/169263561.db2.gz BJGOHXSJNMRMHS-JTQLQIEISA-N 1 0 243.297 3.122 10 0 BGAERO Cc1ccc(C(C)C)cc1O[C@@H](C[NH3+])C(C)C ZINC000052702889 178454998 /nfs/dbraw/zinc/45/49/98/178454998.db2.gz LSRBKNJSURWRLL-HNNXBMFYSA-N 1 0 235.371 3.481 10 0 BGAERO CC[NH2+]C[C@H](OCCCc1ccccc1)C(C)C ZINC000052705252 170122528 /nfs/dbraw/zinc/12/25/28/170122528.db2.gz LDTQVIFHHIDYEJ-INIZCTEOSA-N 1 0 249.398 3.270 10 0 BGAERO CC[NH2+]C[C@@H](OCCCc1ccccc1)C(C)C ZINC000052705253 170120296 /nfs/dbraw/zinc/12/02/96/170120296.db2.gz LDTQVIFHHIDYEJ-MRXNPFEDSA-N 1 0 249.398 3.270 10 0 BGAERO CCC[NH2+]C[C@@H](CC)OCCCc1ccccc1 ZINC000052705353 169262913 /nfs/dbraw/zinc/26/29/13/169262913.db2.gz GQLXNHWJRGXJAT-MRXNPFEDSA-N 1 0 249.398 3.414 10 0 BGAERO CCC[NH2+]C[C@H](CC)OCCCc1ccccc1 ZINC000052705357 169263072 /nfs/dbraw/zinc/26/30/72/169263072.db2.gz GQLXNHWJRGXJAT-INIZCTEOSA-N 1 0 249.398 3.414 10 0 BGAERO CC(C)C[NH2+]CCCCOCc1cccs1 ZINC000052705873 167002276 /nfs/dbraw/zinc/00/22/76/167002276.db2.gz HXLZUYODYPYZPA-UHFFFAOYSA-N 1 0 241.400 3.291 10 0 BGAERO CC[NH2+]CCCCOc1ccc2c(c1)CCCC2 ZINC000052706667 170112657 /nfs/dbraw/zinc/11/26/57/170112657.db2.gz QNZPXDLYSYOUSK-UHFFFAOYSA-N 1 0 247.382 3.334 10 0 BGAERO CC(C)(C)[NH2+]CCCOCCc1cccs1 ZINC000052707201 166630252 /nfs/dbraw/zinc/63/02/52/166630252.db2.gz IDZXKBUQNHDUFT-UHFFFAOYSA-N 1 0 241.400 3.085 10 0 BGAERO CCCNc1ncccc1C[N@@H+]1CCC[C@@H]1CC ZINC000052709401 169296429 /nfs/dbraw/zinc/29/64/29/169296429.db2.gz MEACLAOGFINKNA-AWEZNQCLSA-N 1 0 247.386 3.278 10 0 BGAERO CCCNc1ncccc1C[N@@H+]1CCC[C@H]1CC ZINC000052709402 169296920 /nfs/dbraw/zinc/29/69/20/169296920.db2.gz MEACLAOGFINKNA-CQSZACIVSA-N 1 0 247.386 3.278 10 0 BGAERO CCCNc1ncccc1C[N@@H+]1CCCC[C@@H]1C ZINC000052709789 169297227 /nfs/dbraw/zinc/29/72/27/169297227.db2.gz RFLVJXAXGABDMB-ZDUSSCGKSA-N 1 0 247.386 3.278 10 0 BGAERO CCCNc1ncccc1C[N@@H+]1CCCC[C@H]1C ZINC000052709790 169296526 /nfs/dbraw/zinc/29/65/26/169296526.db2.gz RFLVJXAXGABDMB-CYBMUJFWSA-N 1 0 247.386 3.278 10 0 BGAERO CCC[NH+](CCC)Cc1ccnc(NCC)c1 ZINC000052716934 169148301 /nfs/dbraw/zinc/14/83/01/169148301.db2.gz HQKWEAFTHVCMCG-UHFFFAOYSA-N 1 0 235.375 3.135 10 0 BGAERO CCNc1ncccc1C[N@H+](C)C1CCCCC1 ZINC000052717020 170178450 /nfs/dbraw/zinc/17/84/50/170178450.db2.gz YWIMMMPHCYORRW-UHFFFAOYSA-N 1 0 247.386 3.278 10 0 BGAERO CCNc1ncccc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000052717098 170177939 /nfs/dbraw/zinc/17/79/39/170177939.db2.gz KNEQGJGKVGBAQY-BETUJISGSA-N 1 0 247.386 3.276 10 0 BGAERO CCNc1ncccc1C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000052717101 170178434 /nfs/dbraw/zinc/17/84/34/170178434.db2.gz KNEQGJGKVGBAQY-STQMWFEESA-N 1 0 247.386 3.276 10 0 BGAERO CCNc1ncccc1C[NH+]1[C@H](C)CCC[C@H]1C ZINC000052717104 170178310 /nfs/dbraw/zinc/17/83/10/170178310.db2.gz KNEQGJGKVGBAQY-CHWSQXEVSA-N 1 0 247.386 3.276 10 0 BGAERO CCNc1cc(C[N@H+]2[C@H](C)CCC[C@@H]2C)ccn1 ZINC000052717134 170171902 /nfs/dbraw/zinc/17/19/02/170171902.db2.gz KGVLIXMXXYOJCY-BETUJISGSA-N 1 0 247.386 3.276 10 0 BGAERO CCNc1cc(C[NH+]2[C@@H](C)CCC[C@@H]2C)ccn1 ZINC000052717137 170172195 /nfs/dbraw/zinc/17/21/95/170172195.db2.gz KGVLIXMXXYOJCY-STQMWFEESA-N 1 0 247.386 3.276 10 0 BGAERO CCNc1cc(C[NH+]2[C@H](C)CCC[C@H]2C)ccn1 ZINC000052717139 170171915 /nfs/dbraw/zinc/17/19/15/170171915.db2.gz KGVLIXMXXYOJCY-CHWSQXEVSA-N 1 0 247.386 3.276 10 0 BGAERO CCCNc1ncccc1C[N@H+](CC)C(C)C ZINC000052719186 169296506 /nfs/dbraw/zinc/29/65/06/169296506.db2.gz HNFMLMZOOZGNRE-UHFFFAOYSA-N 1 0 235.375 3.134 10 0 BGAERO CCCNc1cc(C[N@H+](CC)C(C)C)ccn1 ZINC000052719231 169293588 /nfs/dbraw/zinc/29/35/88/169293588.db2.gz BJDZYOOWDKIQSS-UHFFFAOYSA-N 1 0 235.375 3.134 10 0 BGAERO CCCNc1cc(C[N@H+](CC)CCC)ccn1 ZINC000052719306 169293932 /nfs/dbraw/zinc/29/39/32/169293932.db2.gz FHGFPNRJTCHVEB-UHFFFAOYSA-N 1 0 235.375 3.135 10 0 BGAERO CCC[N@H+](Cc1cccnc1NCC)C(C)C ZINC000052719731 169178352 /nfs/dbraw/zinc/17/83/52/169178352.db2.gz FEKKFYYEZDEFBB-UHFFFAOYSA-N 1 0 235.375 3.134 10 0 BGAERO CCNc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2C)ccn1 ZINC000052722562 170172032 /nfs/dbraw/zinc/17/20/32/170172032.db2.gz HWBYWUVMFQQOFY-STQMWFEESA-N 1 0 247.386 3.134 10 0 BGAERO CCNc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2C)ccn1 ZINC000052722566 170172102 /nfs/dbraw/zinc/17/21/02/170172102.db2.gz HWBYWUVMFQQOFY-OLZOCXBDSA-N 1 0 247.386 3.134 10 0 BGAERO CNc1cc(C[NH+](CC(C)C)CC(C)C)ccn1 ZINC000052723310 173474476 /nfs/dbraw/zinc/47/44/76/173474476.db2.gz GGPUTNHMKPUIRP-UHFFFAOYSA-N 1 0 249.402 3.237 10 0 BGAERO CCNc1ncccc1C[N@H+](C)[C@@H](C)C(C)(C)C ZINC000052723970 170178453 /nfs/dbraw/zinc/17/84/53/170178453.db2.gz FSWJTCSUCMLGQM-LBPRGKRZSA-N 1 0 249.402 3.380 10 0 BGAERO CCNc1ncccc1C[N@H+](C)[C@H](C)C(C)(C)C ZINC000052723974 170178352 /nfs/dbraw/zinc/17/83/52/170178352.db2.gz FSWJTCSUCMLGQM-GFCCVEGCSA-N 1 0 249.402 3.380 10 0 BGAERO CNc1cc(C[N@H+](C)[C@@H]2CCC[C@H](C)C2)ccn1 ZINC000052725423 173473222 /nfs/dbraw/zinc/47/32/22/173473222.db2.gz KYXFHDQEGRPSMY-GXTWGEPZSA-N 1 0 247.386 3.134 10 0 BGAERO CCNc1ncccc1C[N@H+](CC1CC1)C(C)C ZINC000052730354 170178184 /nfs/dbraw/zinc/17/81/84/170178184.db2.gz CTRCAQRCJXWJRR-UHFFFAOYSA-N 1 0 247.386 3.134 10 0 BGAERO CCNc1cc(C[N@@H+]2CC[C@H](C)C[C@@H]2C)ccn1 ZINC000052731793 170172248 /nfs/dbraw/zinc/17/22/48/170172248.db2.gz UAKYQSGINRRTIZ-STQMWFEESA-N 1 0 247.386 3.134 10 0 BGAERO CCNc1cc(C[N@@H+]2CC[C@@H](C)C[C@@H]2C)ccn1 ZINC000052731797 170172363 /nfs/dbraw/zinc/17/23/63/170172363.db2.gz UAKYQSGINRRTIZ-OLZOCXBDSA-N 1 0 247.386 3.134 10 0 BGAERO Cc1cc(C)cc(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762115 134711837 /nfs/dbraw/zinc/71/18/37/134711837.db2.gz VSWRZOBOSYZVPZ-MRXNPFEDSA-N 1 0 247.382 3.040 10 0 BGAERO Cc1cc(C)cc(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052762116 358792120 /nfs/dbraw/zinc/79/21/20/358792120.db2.gz VSWRZOBOSYZVPZ-INIZCTEOSA-N 1 0 247.382 3.040 10 0 BGAERO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2CCCO)c1 ZINC000052762359 358792234 /nfs/dbraw/zinc/79/22/34/358792234.db2.gz AKZKNCXYZLNJBI-MRXNPFEDSA-N 1 0 247.382 3.040 10 0 BGAERO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2CCCO)c1 ZINC000052762360 134712825 /nfs/dbraw/zinc/71/28/25/134712825.db2.gz AKZKNCXYZLNJBI-INIZCTEOSA-N 1 0 247.382 3.040 10 0 BGAERO Cc1ccc(C[N@@H+]2CCC[C@@H]2CCCO)cc1C ZINC000052762387 358792466 /nfs/dbraw/zinc/79/24/66/358792466.db2.gz UWVBSPFETKBZAL-MRXNPFEDSA-N 1 0 247.382 3.040 10 0 BGAERO Cc1ccc(C[N@@H+]2CCC[C@H]2CCCO)cc1C ZINC000052762388 358792607 /nfs/dbraw/zinc/79/26/07/358792607.db2.gz UWVBSPFETKBZAL-INIZCTEOSA-N 1 0 247.382 3.040 10 0 BGAERO CCCC[C@@H](CC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762553 384723028 /nfs/dbraw/zinc/72/30/28/384723028.db2.gz IIAFAYZOLVLKFH-HUUCEWRRSA-N 1 0 241.419 3.440 10 0 BGAERO CCCC[C@H](CC)C[N@@H+]1CCC[C@@H]1CCCO ZINC000052762554 384722733 /nfs/dbraw/zinc/72/27/33/384722733.db2.gz IIAFAYZOLVLKFH-LSDHHAIUSA-N 1 0 241.419 3.440 10 0 BGAERO Cc1ccc(OCCC[C@@H]2CCC[NH2+]2)cc1C ZINC000052765044 188126233 /nfs/dbraw/zinc/12/62/33/188126233.db2.gz IVRDJWOEGJADOD-AWEZNQCLSA-N 1 0 233.355 3.214 10 0 BGAERO c1cc(OCCC[C@@H]2CCC[NH2+]2)cc2c1CCC2 ZINC000052765080 183370922 /nfs/dbraw/zinc/37/09/22/183370922.db2.gz OVAUOGYYTIAXGT-HNNXBMFYSA-N 1 0 245.366 3.086 10 0 BGAERO c1cc(OCCC[C@H]2CCC[NH2+]2)cc2c1CCC2 ZINC000052765081 183370534 /nfs/dbraw/zinc/37/05/34/183370534.db2.gz OVAUOGYYTIAXGT-OAHLLOKOSA-N 1 0 245.366 3.086 10 0 BGAERO Cc1cc(C[NH2+]C2CCCCC2)c(C)n1C ZINC000052789493 178018666 /nfs/dbraw/zinc/01/86/66/178018666.db2.gz ULGDGEDUFIECSS-UHFFFAOYSA-N 1 0 220.360 3.064 10 0 BGAERO Cc1cc(C[NH2+]Cc2ccc(F)cc2)c(C)n1C ZINC000052789603 178026843 /nfs/dbraw/zinc/02/68/43/178026843.db2.gz VTTLPCGRXVUZLO-UHFFFAOYSA-N 1 0 246.329 3.071 10 0 BGAERO Cc1cc(C[NH2+]CCc2cccs2)c(C)n1C ZINC000052789611 178023582 /nfs/dbraw/zinc/02/35/82/178023582.db2.gz HBOVXEMVEGARKG-UHFFFAOYSA-N 1 0 248.395 3.036 10 0 BGAERO Cc1cc(C[NH2+][C@@H](C)c2ccco2)c(C)n1C ZINC000052789847 178030986 /nfs/dbraw/zinc/03/09/86/178030986.db2.gz ZAJFLEWEPFXUAN-NSHDSACASA-N 1 0 232.327 3.086 10 0 BGAERO Cc1cc(C[NH2+][C@H](C)c2ccco2)c(C)n1C ZINC000052789848 178038890 /nfs/dbraw/zinc/03/88/90/178038890.db2.gz ZAJFLEWEPFXUAN-LLVKDONJSA-N 1 0 232.327 3.086 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2cc(C)n(C)c2C)o1 ZINC000052789946 178891768 /nfs/dbraw/zinc/89/17/68/178891768.db2.gz POKRKOISYMUXPL-LBPRGKRZSA-N 1 0 246.354 3.394 10 0 BGAERO Cc1cc(C[NH2+]C2(C)CCCC2)c(C)n1C ZINC000052790442 178018279 /nfs/dbraw/zinc/01/82/79/178018279.db2.gz ASXOSHGHDKCAOT-UHFFFAOYSA-N 1 0 220.360 3.064 10 0 BGAERO Cc1cc(C[NH2+]CCc2ccsc2)c(C)n1C ZINC000052790461 178022064 /nfs/dbraw/zinc/02/20/64/178022064.db2.gz IRIQDSCKSRUEHT-UHFFFAOYSA-N 1 0 248.395 3.036 10 0 BGAERO CC(C)Cn1c2ccc(N)cc2[nH+]c1C(C)C ZINC000052842078 187271098 /nfs/dbraw/zinc/27/10/98/187271098.db2.gz CFFCFWBXSWAWQK-UHFFFAOYSA-N 1 0 231.343 3.398 10 0 BGAERO CCc1[nH+]c2cc(N)ccc2n1C1CCCC1 ZINC000052842085 172011226 /nfs/dbraw/zinc/01/12/26/172011226.db2.gz ZSQNBZVPVDMKQB-UHFFFAOYSA-N 1 0 229.327 3.296 10 0 BGAERO CCC(C)(C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052842364 168307349 /nfs/dbraw/zinc/30/73/49/168307349.db2.gz AZHBXHWNWMMRCY-UHFFFAOYSA-N 1 0 217.316 3.072 10 0 BGAERO CCc1[nH+]c2cc(N)ccc2n1C(C)(C)CC ZINC000052842366 172010626 /nfs/dbraw/zinc/01/06/26/172010626.db2.gz VQABPLVBYWZDSL-UHFFFAOYSA-N 1 0 231.343 3.326 10 0 BGAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)C(C)C ZINC000052852163 180080920 /nfs/dbraw/zinc/08/09/20/180080920.db2.gz UYADYNZVNFTRIF-VIFPVBQESA-N 1 0 217.316 3.144 10 0 BGAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)C(C)C ZINC000052852164 180081159 /nfs/dbraw/zinc/08/11/59/180081159.db2.gz UYADYNZVNFTRIF-SECBINFHSA-N 1 0 217.316 3.144 10 0 BGAERO CCC[C@@H](C)n1c(C)[nH+]c2cc(N)ccc21 ZINC000052852339 169375749 /nfs/dbraw/zinc/37/57/49/169375749.db2.gz BCHIYMDQDYCGAG-SECBINFHSA-N 1 0 217.316 3.288 10 0 BGAERO Cc1[nH+]c2cc(N)ccc2n1Cc1cccs1 ZINC000052852461 180081690 /nfs/dbraw/zinc/08/16/90/180081690.db2.gz SIXOSFLOZOHPHV-UHFFFAOYSA-N 1 0 243.335 3.037 10 0 BGAERO Cc1[nH+]c2cc(N)ccc2n1[C@@H](C)c1ccco1 ZINC000052852804 180081105 /nfs/dbraw/zinc/08/11/05/180081105.db2.gz VIDMQHXNRDLQMR-VIFPVBQESA-N 1 0 241.294 3.129 10 0 BGAERO Cc1[nH+]c2cc(N)ccc2n1[C@H](C)c1ccco1 ZINC000052852805 180082400 /nfs/dbraw/zinc/08/24/00/180082400.db2.gz VIDMQHXNRDLQMR-SECBINFHSA-N 1 0 241.294 3.129 10 0 BGAERO C[C@H]1CCCC[C@@H]1Cn1cnc2cc(N)ccc21 ZINC000052853718 177081266 /nfs/dbraw/zinc/08/12/66/177081266.db2.gz LRKNGVMMTMNQBA-NWDGAFQWSA-N 1 0 243.354 3.445 10 0 BGAERO C[C@H]1CCCC[C@H]1Cn1cnc2cc(N)ccc21 ZINC000052853722 177086402 /nfs/dbraw/zinc/08/64/02/177086402.db2.gz LRKNGVMMTMNQBA-RYUDHWBXSA-N 1 0 243.354 3.445 10 0 BGAERO CCc1[nH+]c2cc(N)ccc2n1[C@@H]1CC1(C)C ZINC000052854008 172010195 /nfs/dbraw/zinc/01/01/95/172010195.db2.gz ATQLTWHDIZRGFX-GFCCVEGCSA-N 1 0 229.327 3.152 10 0 BGAERO CCc1[nH+]c2cc(N)ccc2n1[C@H]1CC1(C)C ZINC000052854010 172009915 /nfs/dbraw/zinc/00/99/15/172009915.db2.gz ATQLTWHDIZRGFX-LBPRGKRZSA-N 1 0 229.327 3.152 10 0 BGAERO CC(C)(C)Nc1ccc(Cl)cc1C[NH3+] ZINC000052857804 386148075 /nfs/dbraw/zinc/14/80/75/386148075.db2.gz MLZNXLSNTIHQQY-UHFFFAOYSA-N 1 0 212.724 3.009 10 0 BGAERO CCCSc1ccc(Cl)cc1C[NH3+] ZINC000052858634 344671924 /nfs/dbraw/zinc/67/19/24/344671924.db2.gz LMIDGGNAUBTAFY-UHFFFAOYSA-N 1 0 215.749 3.301 10 0 BGAERO CC(C)Sc1ccc(Cl)cc1C[NH3+] ZINC000052858763 167337678 /nfs/dbraw/zinc/33/76/78/167337678.db2.gz YYHGYIFFYJBVRD-UHFFFAOYSA-N 1 0 215.749 3.299 10 0 BGAERO NC(=[NH2+])c1cc(Cl)ccc1Oc1ccccc1 ZINC000052860263 181194061 /nfs/dbraw/zinc/19/40/61/181194061.db2.gz DJUZHMHESHWLRL-UHFFFAOYSA-N 1 0 246.697 3.416 10 0 BGAERO CC(C)Sc1ccc(Cl)cc1C(N)=[NH2+] ZINC000052860453 353123026 /nfs/dbraw/zinc/12/30/26/353123026.db2.gz GHQXJWMVPZJVTI-UHFFFAOYSA-N 1 0 228.748 3.125 10 0 BGAERO C[C@@](N)(C[NH+]1CCCCCCC1)c1ccccc1 ZINC000052883262 176511973 /nfs/dbraw/zinc/51/19/73/176511973.db2.gz FRVFHEAORWICGS-MRXNPFEDSA-N 1 0 246.398 3.127 10 0 BGAERO C[C@](N)(C[NH2+]C1(C)CCCCC1)c1ccccc1 ZINC000052883638 168062796 /nfs/dbraw/zinc/06/27/96/168062796.db2.gz HDJFUWNCRZZSFE-INIZCTEOSA-N 1 0 246.398 3.173 10 0 BGAERO CC(C)c1ccn(-c2cccc(F)c2[C@@H](C)[NH3+])n1 ZINC000052884488 167645206 /nfs/dbraw/zinc/64/52/06/167645206.db2.gz HTTNYBAFHWCIOH-SNVBAGLBSA-N 1 0 247.317 3.155 10 0 BGAERO C[NH2+]Cc1ccc(-n2ccc(C(C)C)n2)cc1C ZINC000052884858 187271057 /nfs/dbraw/zinc/27/10/57/187271057.db2.gz DHXSMBJHWQIQSS-UHFFFAOYSA-N 1 0 243.354 3.024 10 0 BGAERO CCC[NH2+][C@H](c1cncnc1)[C@@H]1CCC[C@H](C)C1 ZINC000052887450 169290480 /nfs/dbraw/zinc/29/04/80/169290480.db2.gz BAALMINSMZHIQQ-GUTXKFCHSA-N 1 0 247.386 3.344 10 0 BGAERO CCC[NH2+][C@H](c1cncnc1)[C@H]1CCC[C@H](C)C1 ZINC000052887452 169291081 /nfs/dbraw/zinc/29/10/81/169291081.db2.gz BAALMINSMZHIQQ-YDHLFZDLSA-N 1 0 247.386 3.344 10 0 BGAERO C[NH2+]Cc1cc(-c2ccccc2F)cs1 ZINC000052887736 173386033 /nfs/dbraw/zinc/38/60/33/173386033.db2.gz DZNUOXZTDQEUSS-UHFFFAOYSA-N 1 0 221.300 3.274 10 0 BGAERO C[NH2+]Cc1cc(-c2ccccc2F)ccc1F ZINC000052887797 173386097 /nfs/dbraw/zinc/38/60/97/173386097.db2.gz AACYLSAAFRRJFT-UHFFFAOYSA-N 1 0 233.261 3.351 10 0 BGAERO CCCCC[NH+](CCCO)CCCCC ZINC000052889967 368332626 /nfs/dbraw/zinc/33/26/26/368332626.db2.gz PEOJPNIUFUJIKD-UHFFFAOYSA-N 1 0 215.381 3.051 10 0 BGAERO [NH3+][C@@]1(c2ccccc2F)CCc2ccccc2C1 ZINC000052897559 181602535 /nfs/dbraw/zinc/60/25/35/181602535.db2.gz QERRXJAGODMDKD-INIZCTEOSA-N 1 0 241.309 3.169 10 0 BGAERO C[NH2+][C@@H](c1cccc(OC)c1)c1ccccc1F ZINC000052897824 173429565 /nfs/dbraw/zinc/42/95/65/173429565.db2.gz KTAVVPGSHCUBJQ-HNNXBMFYSA-N 1 0 245.297 3.143 10 0 BGAERO CC[NH2+][C@@H](C[C@@H]1CCCO1)c1ccccc1F ZINC000052897968 170146408 /nfs/dbraw/zinc/14/64/08/170146408.db2.gz PTXUHSSRCKPNAJ-FZMZJTMJSA-N 1 0 237.318 3.045 10 0 BGAERO CC[NH2+][C@H](C[C@@H]1CCCO1)c1ccccc1F ZINC000052897970 170162702 /nfs/dbraw/zinc/16/27/02/170162702.db2.gz PTXUHSSRCKPNAJ-SMDDNHRTSA-N 1 0 237.318 3.045 10 0 BGAERO CC[NH2+][C@@H](C[C@H]1CCCO1)c1ccccc1F ZINC000052897972 170146411 /nfs/dbraw/zinc/14/64/11/170146411.db2.gz PTXUHSSRCKPNAJ-RISCZKNCSA-N 1 0 237.318 3.045 10 0 BGAERO CC[NH2+][C@H](C[C@H]1CCCO1)c1ccccc1F ZINC000052897974 170162142 /nfs/dbraw/zinc/16/21/42/170162142.db2.gz PTXUHSSRCKPNAJ-BXUZGUMPSA-N 1 0 237.318 3.045 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccccc2F)ccc1F ZINC000052898126 178262413 /nfs/dbraw/zinc/26/24/13/178262413.db2.gz BRVFHBVVWUKUGY-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccccc2F)ccc1F ZINC000052898127 178237450 /nfs/dbraw/zinc/23/74/50/178237450.db2.gz BRVFHBVVWUKUGY-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO CC[NH2+][C@@H](c1ccccc1F)c1ncccc1C ZINC000052898295 170148659 /nfs/dbraw/zinc/14/86/59/170148659.db2.gz ZZGVAWAXJHJVMO-HNNXBMFYSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@H](c1ccccc1F)c1ncccc1C ZINC000052898297 170164706 /nfs/dbraw/zinc/16/47/06/170164706.db2.gz ZZGVAWAXJHJVMO-OAHLLOKOSA-N 1 0 244.313 3.228 10 0 BGAERO C[NH2+][C@H](Cc1cccs1)Cc1ccc(F)cc1 ZINC000052900467 173425099 /nfs/dbraw/zinc/42/50/99/173425099.db2.gz UGSIRQCIHZJAQF-ZDUSSCGKSA-N 1 0 249.354 3.260 10 0 BGAERO C[NH2+][C@@H](Cc1cccs1)Cc1ccc(F)cc1 ZINC000052900469 173454637 /nfs/dbraw/zinc/45/46/37/173454637.db2.gz UGSIRQCIHZJAQF-CYBMUJFWSA-N 1 0 249.354 3.260 10 0 BGAERO [NH3+]CC1(c2cccs2)CCCCCC1 ZINC000052902395 353131847 /nfs/dbraw/zinc/13/18/47/353131847.db2.gz BVQINBSPNUYLKC-UHFFFAOYSA-N 1 0 209.358 3.299 10 0 BGAERO CC(C)Sc1cccc(Cl)c1C[NH3+] ZINC000052905569 167338528 /nfs/dbraw/zinc/33/85/28/167338528.db2.gz PICKLNLOFMWJRT-UHFFFAOYSA-N 1 0 215.749 3.299 10 0 BGAERO CCCOc1ccc(-c2ncc(C[NH3+])s2)cc1 ZINC000052919533 169316367 /nfs/dbraw/zinc/31/63/67/169316367.db2.gz XQVMMMZVZQEUGI-UHFFFAOYSA-N 1 0 248.351 3.058 10 0 BGAERO CCCOc1ccc2c(c1)[C@H](CC)[NH2+]CC2 ZINC000052919897 169323075 /nfs/dbraw/zinc/32/30/75/169323075.db2.gz QBSQAXCJUKVEMW-AWEZNQCLSA-N 1 0 219.328 3.072 10 0 BGAERO CCCOc1ccc2c(c1)[C@@H](CC)[NH2+]CC2 ZINC000052919899 169323187 /nfs/dbraw/zinc/32/31/87/169323187.db2.gz QBSQAXCJUKVEMW-CQSZACIVSA-N 1 0 219.328 3.072 10 0 BGAERO CCCOc1ccc2c(c1)[C@H](C(C)C)[NH2+]CC2 ZINC000052919907 169323111 /nfs/dbraw/zinc/32/31/11/169323111.db2.gz ZKLHKGSKMPCCHJ-HNNXBMFYSA-N 1 0 233.355 3.318 10 0 BGAERO CCCOc1ccc2c(c1)[C@@H](C(C)C)[NH2+]CC2 ZINC000052919909 169323057 /nfs/dbraw/zinc/32/30/57/169323057.db2.gz ZKLHKGSKMPCCHJ-OAHLLOKOSA-N 1 0 233.355 3.318 10 0 BGAERO CCCOc1ccc2c(c1)[C@H](C1CC1)[NH2+]CC2 ZINC000052919911 169323292 /nfs/dbraw/zinc/32/32/92/169323292.db2.gz IPDQRZLYDRBHFM-HNNXBMFYSA-N 1 0 231.339 3.072 10 0 BGAERO CCCOc1ccc2c(c1)[C@@H](C1CC1)[NH2+]CC2 ZINC000052919913 169323222 /nfs/dbraw/zinc/32/32/22/169323222.db2.gz IPDQRZLYDRBHFM-OAHLLOKOSA-N 1 0 231.339 3.072 10 0 BGAERO CCCOc1ccc([C@@H]2CC[NH2+][C@@H]2CC)cc1 ZINC000052920716 169321573 /nfs/dbraw/zinc/32/15/73/169321573.db2.gz NRTVCGLRQJPXGT-LSDHHAIUSA-N 1 0 233.355 3.331 10 0 BGAERO CCCOc1ccc([C@H]2CC[NH2+][C@@H]2CC)cc1 ZINC000052920717 169322406 /nfs/dbraw/zinc/32/24/06/169322406.db2.gz NRTVCGLRQJPXGT-HUUCEWRRSA-N 1 0 233.355 3.331 10 0 BGAERO CCCOc1ccc([C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000052920719 169321614 /nfs/dbraw/zinc/32/16/14/169321614.db2.gz NRTVCGLRQJPXGT-GJZGRUSLSA-N 1 0 233.355 3.331 10 0 BGAERO CCCOc1ccc([C@H]2CC[NH2+][C@H]2CC)cc1 ZINC000052920721 169322399 /nfs/dbraw/zinc/32/23/99/169322399.db2.gz NRTVCGLRQJPXGT-CABCVRRESA-N 1 0 233.355 3.331 10 0 BGAERO CCCOc1cccc(CCC2CC[NH2+]CC2)c1 ZINC000052920915 169325382 /nfs/dbraw/zinc/32/53/82/169325382.db2.gz PFUNPRGTIWZKIU-UHFFFAOYSA-N 1 0 247.382 3.408 10 0 BGAERO CCCOc1cccc(-c2nc(C[NH3+])cs2)c1 ZINC000052921138 169324504 /nfs/dbraw/zinc/32/45/04/169324504.db2.gz AVCGBILUHORWNS-UHFFFAOYSA-N 1 0 248.351 3.058 10 0 BGAERO CCCOc1cccc([C@@H]2CC[NH2+][C@@H]2CC)c1 ZINC000052922083 169325771 /nfs/dbraw/zinc/32/57/71/169325771.db2.gz LZQOYAKMIXSQJA-LSDHHAIUSA-N 1 0 233.355 3.331 10 0 BGAERO CCCOc1cccc([C@H]2CC[NH2+][C@@H]2CC)c1 ZINC000052922084 169325875 /nfs/dbraw/zinc/32/58/75/169325875.db2.gz LZQOYAKMIXSQJA-HUUCEWRRSA-N 1 0 233.355 3.331 10 0 BGAERO CCCOc1cccc([C@@H]2CC[NH2+][C@H]2CC)c1 ZINC000052922085 169326049 /nfs/dbraw/zinc/32/60/49/169326049.db2.gz LZQOYAKMIXSQJA-GJZGRUSLSA-N 1 0 233.355 3.331 10 0 BGAERO CCCOc1cccc([C@H]2CC[NH2+][C@H]2CC)c1 ZINC000052922087 169325642 /nfs/dbraw/zinc/32/56/42/169325642.db2.gz LZQOYAKMIXSQJA-CABCVRRESA-N 1 0 233.355 3.331 10 0 BGAERO C[NH2+][C@H](C)c1ccc(-c2ccccc2)o1 ZINC000052924316 173448801 /nfs/dbraw/zinc/44/88/01/173448801.db2.gz XEAAXPMLCSYHIH-SNVBAGLBSA-N 1 0 201.269 3.227 10 0 BGAERO C[NH2+][C@H](C)c1ccc(-c2cccc(COC)c2)o1 ZINC000052924582 173448516 /nfs/dbraw/zinc/44/85/16/173448516.db2.gz RXPJFZONIBQTCI-LLVKDONJSA-N 1 0 245.322 3.373 10 0 BGAERO COc1ccc(C)cc1[C@H]([NH3+])Cc1ccsc1 ZINC000052943710 175081916 /nfs/dbraw/zinc/08/19/16/175081916.db2.gz PNMVMKKVKYORIJ-CYBMUJFWSA-N 1 0 247.363 3.308 10 0 BGAERO COc1ccc(C)cc1[C@@H]([NH3+])Cc1ccsc1 ZINC000052943711 175080005 /nfs/dbraw/zinc/08/00/05/175080005.db2.gz PNMVMKKVKYORIJ-ZDUSSCGKSA-N 1 0 247.363 3.308 10 0 BGAERO [NH3+][C@@H](Cc1cccc(Cl)c1)C1CCC1 ZINC000052944890 353137592 /nfs/dbraw/zinc/13/75/92/353137592.db2.gz DJFXDFHQTMTRJF-LBPRGKRZSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H](Cc1cccc(Cl)c1)C1CCC1 ZINC000052944891 353137491 /nfs/dbraw/zinc/13/74/91/353137491.db2.gz DJFXDFHQTMTRJF-GFCCVEGCSA-N 1 0 209.720 3.010 10 0 BGAERO CCCC[C@H]([NH3+])Cc1cccc(Cl)c1 ZINC000052944968 353137566 /nfs/dbraw/zinc/13/75/66/353137566.db2.gz GBCLLQSAIUJKNC-LBPRGKRZSA-N 1 0 211.736 3.400 10 0 BGAERO CCCC[C@@H]([NH3+])Cc1cccc(Cl)c1 ZINC000052944969 353137778 /nfs/dbraw/zinc/13/77/78/353137778.db2.gz GBCLLQSAIUJKNC-GFCCVEGCSA-N 1 0 211.736 3.400 10 0 BGAERO CCCCOCC[C@H](C[NH3+])Cc1ccccc1 ZINC000052946674 168904305 /nfs/dbraw/zinc/90/43/05/168904305.db2.gz PRQPYRQZSBLRQR-HNNXBMFYSA-N 1 0 235.371 3.011 10 0 BGAERO CC(C)[C@@H](C[NH3+])Cc1ccc(Cl)s1 ZINC000052947162 167397535 /nfs/dbraw/zinc/39/75/35/167397535.db2.gz IMVBDBBJXAFPBW-MRVPVSSYSA-N 1 0 217.765 3.175 10 0 BGAERO CC[C@H](C[NH3+])Cc1sccc1Br ZINC000052947369 171430443 /nfs/dbraw/zinc/43/04/43/171430443.db2.gz RMYYCHFVYBDSMM-ZETCQYMHSA-N 1 0 248.189 3.038 10 0 BGAERO [NH3+]C[C@@H](Cc1cccs1)Cc1ccc(F)cc1 ZINC000052947487 181445077 /nfs/dbraw/zinc/44/50/77/181445077.db2.gz UGWBTNXYLZCOOG-GFCCVEGCSA-N 1 0 249.354 3.247 10 0 BGAERO [NH3+]C[C@H](Cc1cccs1)Cc1ccc(F)cc1 ZINC000052947488 181418691 /nfs/dbraw/zinc/41/86/91/181418691.db2.gz UGWBTNXYLZCOOG-LBPRGKRZSA-N 1 0 249.354 3.247 10 0 BGAERO Cc1ccccc1C[C@H](C[NH3+])Cc1cccs1 ZINC000052948227 179292220 /nfs/dbraw/zinc/29/22/20/179292220.db2.gz BFFIAJARFSRWIC-ZDUSSCGKSA-N 1 0 245.391 3.417 10 0 BGAERO COc1ccccc1C[C@@H](C[NH3+])CCC(C)C ZINC000052948737 175333177 /nfs/dbraw/zinc/33/31/77/175333177.db2.gz HMORIPQJTNRDPS-ZDUSSCGKSA-N 1 0 235.371 3.249 10 0 BGAERO COc1ccccc1C[C@H](C[NH3+])CCC(C)C ZINC000052948739 175333868 /nfs/dbraw/zinc/33/38/68/175333868.db2.gz HMORIPQJTNRDPS-CYBMUJFWSA-N 1 0 235.371 3.249 10 0 BGAERO C[NH2+]CCCc1c(Cl)cccc1Cl ZINC000052948914 173350512 /nfs/dbraw/zinc/35/05/12/173350512.db2.gz OKKAKAKYXSXXAJ-UHFFFAOYSA-N 1 0 218.127 3.145 10 0 BGAERO C[NH2+]CCCc1ccc(Cl)c(Cl)c1 ZINC000052948934 173350816 /nfs/dbraw/zinc/35/08/16/173350816.db2.gz GKYYRXXJALIPDV-UHFFFAOYSA-N 1 0 218.127 3.145 10 0 BGAERO CC[NH2+]CCCc1cccc(C(F)(F)F)c1 ZINC000052949001 170113780 /nfs/dbraw/zinc/11/37/80/170113780.db2.gz CSUVGJPGJIRADS-UHFFFAOYSA-N 1 0 231.261 3.248 10 0 BGAERO CC[NH2+]CCCc1ccc(F)cc1Cl ZINC000052949012 170113269 /nfs/dbraw/zinc/11/32/69/170113269.db2.gz YHCXFMHZIGCRIT-UHFFFAOYSA-N 1 0 215.699 3.021 10 0 BGAERO CC[NH2+]CCCc1ccc(OC(F)(F)F)cc1 ZINC000052949027 170113660 /nfs/dbraw/zinc/11/36/60/170113660.db2.gz PJRCIEMZDYEVLR-UHFFFAOYSA-N 1 0 247.260 3.127 10 0 BGAERO CC[NH2+]CCCc1ccc(C(C)C)cc1 ZINC000052949041 170113729 /nfs/dbraw/zinc/11/37/29/170113729.db2.gz YQFJEBFCSZJEIP-UHFFFAOYSA-N 1 0 205.345 3.352 10 0 BGAERO CC[NH2+]CCCc1c(F)cccc1Cl ZINC000052949096 170113510 /nfs/dbraw/zinc/11/35/10/170113510.db2.gz QXBZGGAOYPXUJQ-UHFFFAOYSA-N 1 0 215.699 3.021 10 0 BGAERO CCC[NH2+]CCCc1ccc(CC)cc1 ZINC000052949223 169258074 /nfs/dbraw/zinc/25/80/74/169258074.db2.gz GHHITEHWBHTUEA-UHFFFAOYSA-N 1 0 205.345 3.181 10 0 BGAERO CC(C)(C)[NH2+]CCCc1cccc(F)c1 ZINC000052949487 166630367 /nfs/dbraw/zinc/63/03/67/166630367.db2.gz TWPMYWISBZBQFS-UHFFFAOYSA-N 1 0 209.308 3.146 10 0 BGAERO COc1ccc(C)cc1CCC[NH2+]CC(C)C ZINC000052949614 175074014 /nfs/dbraw/zinc/07/40/14/175074014.db2.gz UZYCCTROHLLMHS-UHFFFAOYSA-N 1 0 235.371 3.182 10 0 BGAERO Cc1ncsc1CCCC[NH2+]CC(C)C ZINC000052949616 180307841 /nfs/dbraw/zinc/30/78/41/180307841.db2.gz RCTREJFXCJFMSU-UHFFFAOYSA-N 1 0 226.389 3.020 10 0 BGAERO CCC[NH2+]C[C@@H](CCOCC)Cc1ccccc1 ZINC000052952822 169262905 /nfs/dbraw/zinc/26/29/05/169262905.db2.gz GKSVMFZOTBBMHP-INIZCTEOSA-N 1 0 249.398 3.272 10 0 BGAERO CCC[NH2+]C[C@H](CCOCC)Cc1ccccc1 ZINC000052952825 169264072 /nfs/dbraw/zinc/26/40/72/169264072.db2.gz GKSVMFZOTBBMHP-MRXNPFEDSA-N 1 0 249.398 3.272 10 0 BGAERO CC[NH2+]C[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052954285 170119230 /nfs/dbraw/zinc/11/92/30/170119230.db2.gz RMIYNJQZQWIQJA-JTQLQIEISA-N 1 0 245.288 3.494 10 0 BGAERO CC[NH2+]C[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000052954289 170121783 /nfs/dbraw/zinc/12/17/83/170121783.db2.gz RMIYNJQZQWIQJA-SNVBAGLBSA-N 1 0 245.288 3.494 10 0 BGAERO CC(C)[NH2+]C[C@@H](C)Cc1cccc(F)c1 ZINC000052966102 167111893 /nfs/dbraw/zinc/11/18/93/167111893.db2.gz NFOQCWYVOFUPGC-NSHDSACASA-N 1 0 209.308 3.002 10 0 BGAERO CC(C)[NH2+]C[C@H](C)Cc1cccc(F)c1 ZINC000052966104 167112838 /nfs/dbraw/zinc/11/28/38/167112838.db2.gz NFOQCWYVOFUPGC-LLVKDONJSA-N 1 0 209.308 3.002 10 0 BGAERO C[C@H](CCOc1ccccc1)C[NH2+]C(C)(C)C ZINC000052967089 176638838 /nfs/dbraw/zinc/63/88/38/176638838.db2.gz CRKVVRFJFCXBRS-CYBMUJFWSA-N 1 0 235.371 3.480 10 0 BGAERO CC(C)C[NH2+]C[C@@H](C)Cc1cccc(F)c1F ZINC000052967348 167004317 /nfs/dbraw/zinc/00/43/17/167004317.db2.gz SEAWQUCWKNUWSQ-NSHDSACASA-N 1 0 241.325 3.389 10 0 BGAERO CC(C)C[NH2+]C[C@H](C)Cc1cccc(F)c1F ZINC000052967350 167006160 /nfs/dbraw/zinc/00/61/60/167006160.db2.gz SEAWQUCWKNUWSQ-LLVKDONJSA-N 1 0 241.325 3.389 10 0 BGAERO C[NH2+]C[C@@H](Cc1cc(C)ccc1OC)CC(C)C ZINC000052967752 173364885 /nfs/dbraw/zinc/36/48/85/173364885.db2.gz DYJYZUMKLKIQJC-CQSZACIVSA-N 1 0 249.398 3.428 10 0 BGAERO C[NH2+]C[C@H](Cc1cc(C)ccc1OC)CC(C)C ZINC000052967754 173376105 /nfs/dbraw/zinc/37/61/05/173376105.db2.gz DYJYZUMKLKIQJC-AWEZNQCLSA-N 1 0 249.398 3.428 10 0 BGAERO C[NH2+]C[C@H](CCOc1ccccc1)CC(C)C ZINC000052967802 173376274 /nfs/dbraw/zinc/37/62/74/173376274.db2.gz NKMJCODOHWKAEF-CQSZACIVSA-N 1 0 235.371 3.337 10 0 BGAERO C[NH2+]C[C@@H](CCOc1ccccc1)CC(C)C ZINC000052967803 173365071 /nfs/dbraw/zinc/36/50/71/173365071.db2.gz NKMJCODOHWKAEF-AWEZNQCLSA-N 1 0 235.371 3.337 10 0 BGAERO C[NH2+]C[C@H](Cc1ccccc1OC)CC(C)C ZINC000052967835 173376314 /nfs/dbraw/zinc/37/63/14/173376314.db2.gz ZJNXQTXOYQSKES-ZDUSSCGKSA-N 1 0 235.371 3.119 10 0 BGAERO C[NH2+]C[C@@H](Cc1ccccc1OC)CC(C)C ZINC000052967838 173364717 /nfs/dbraw/zinc/36/47/17/173364717.db2.gz ZJNXQTXOYQSKES-CYBMUJFWSA-N 1 0 235.371 3.119 10 0 BGAERO CCC[C@@H](CCOc1ccccc1)C[NH2+]CC ZINC000052969683 169382788 /nfs/dbraw/zinc/38/27/88/169382788.db2.gz UMEURIHEVUDFJV-AWEZNQCLSA-N 1 0 235.371 3.481 10 0 BGAERO CCC[C@@H](C[NH2+]CC)Cc1ccccc1OC ZINC000052969732 169384990 /nfs/dbraw/zinc/38/49/90/169384990.db2.gz UUSQYZSWNYRXNU-CYBMUJFWSA-N 1 0 235.371 3.264 10 0 BGAERO CC[NH2+]C[C@@H](Cc1cc(C)ccc1OC)C(C)C ZINC000052971654 170118673 /nfs/dbraw/zinc/11/86/73/170118673.db2.gz AKRVKHIPEPTNGO-OAHLLOKOSA-N 1 0 249.398 3.428 10 0 BGAERO CC[NH2+]C[C@H](Cc1cc(C)ccc1OC)C(C)C ZINC000052971656 170121897 /nfs/dbraw/zinc/12/18/97/170121897.db2.gz AKRVKHIPEPTNGO-HNNXBMFYSA-N 1 0 249.398 3.428 10 0 BGAERO CC[NH2+]C[C@@H](CCOc1ccccc1)C(C)C ZINC000052971713 170119344 /nfs/dbraw/zinc/11/93/44/170119344.db2.gz KGCCATMETJZKAW-CQSZACIVSA-N 1 0 235.371 3.337 10 0 BGAERO CC[NH2+]C[C@H](CCOc1ccccc1)C(C)C ZINC000052971716 170121701 /nfs/dbraw/zinc/12/17/01/170121701.db2.gz KGCCATMETJZKAW-AWEZNQCLSA-N 1 0 235.371 3.337 10 0 BGAERO COc1cccc(C[C@@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052972392 175270614 /nfs/dbraw/zinc/27/06/14/175270614.db2.gz NSZLYYRXWLVFHQ-AWEZNQCLSA-N 1 0 247.382 3.262 10 0 BGAERO COc1cccc(C[C@H](C[NH2+]C2CC2)C(C)C)c1 ZINC000052972393 175271955 /nfs/dbraw/zinc/27/19/55/175271955.db2.gz NSZLYYRXWLVFHQ-CQSZACIVSA-N 1 0 247.382 3.262 10 0 BGAERO CC(C)[C@@H](C[NH2+]C1CC1)Cc1ccc(F)cc1 ZINC000052972439 167399061 /nfs/dbraw/zinc/39/90/61/167399061.db2.gz WYTRWCXEURIHLX-CYBMUJFWSA-N 1 0 235.346 3.392 10 0 BGAERO CC(C)[C@@H](CCOc1ccccc1)C[NH2+]C1CC1 ZINC000052972549 167393834 /nfs/dbraw/zinc/39/38/34/167393834.db2.gz USESMLXXPJSZSY-AWEZNQCLSA-N 1 0 247.382 3.480 10 0 BGAERO CC(C)[C@H](CCOc1ccccc1)C[NH2+]C1CC1 ZINC000052972551 187781837 /nfs/dbraw/zinc/78/18/37/187781837.db2.gz USESMLXXPJSZSY-CQSZACIVSA-N 1 0 247.382 3.480 10 0 BGAERO CCC[NH2+]C[C@@H](CC)CCOc1ccccc1 ZINC000052973473 169262258 /nfs/dbraw/zinc/26/22/58/169262258.db2.gz RXOUZODDVLRBSU-AWEZNQCLSA-N 1 0 235.371 3.481 10 0 BGAERO CCC[NH2+]C[C@H](CC)CCOc1ccccc1 ZINC000052973475 169263145 /nfs/dbraw/zinc/26/31/45/169263145.db2.gz RXOUZODDVLRBSU-CQSZACIVSA-N 1 0 235.371 3.481 10 0 BGAERO CC[C@@H](C[NH2+]C1CC1)Cc1cc(C)ccc1OC ZINC000052973902 170828249 /nfs/dbraw/zinc/82/82/49/170828249.db2.gz RASDSJWWVYZSMO-CYBMUJFWSA-N 1 0 247.382 3.324 10 0 BGAERO C[NH2+]C[C@H](CCOC(C)C)Cc1ccc(C)cc1 ZINC000052974430 173376128 /nfs/dbraw/zinc/37/61/28/173376128.db2.gz XRONDLRAUZDKGN-MRXNPFEDSA-N 1 0 249.398 3.188 10 0 BGAERO C[NH2+]C[C@@H](CCOC(C)C)Cc1ccc(C)cc1 ZINC000052974432 173364984 /nfs/dbraw/zinc/36/49/84/173364984.db2.gz XRONDLRAUZDKGN-INIZCTEOSA-N 1 0 249.398 3.188 10 0 BGAERO CCCC[C@H](C[NH2+]C)Cc1ccc(OC)cc1 ZINC000052975778 169003717 /nfs/dbraw/zinc/00/37/17/169003717.db2.gz KFCIIXJPNLTANN-AWEZNQCLSA-N 1 0 235.371 3.264 10 0 BGAERO CCC[NH2+]C[C@@H](CC)Cc1ccc(OC)cc1 ZINC000052976051 169262749 /nfs/dbraw/zinc/26/27/49/169262749.db2.gz AADPNGSYDXJZQF-ZDUSSCGKSA-N 1 0 235.371 3.264 10 0 BGAERO CCC[NH2+]C[C@H](CC)Cc1ccc(OC)cc1 ZINC000052976053 169264097 /nfs/dbraw/zinc/26/40/97/169264097.db2.gz AADPNGSYDXJZQF-CYBMUJFWSA-N 1 0 235.371 3.264 10 0 BGAERO C[NH2+]C[C@H](CCOC(C)C)Cc1cccc(C)c1 ZINC000052976422 173376027 /nfs/dbraw/zinc/37/60/27/173376027.db2.gz FIZRISJJQJYTRA-MRXNPFEDSA-N 1 0 249.398 3.188 10 0 BGAERO C[NH2+]C[C@@H](CCOC(C)C)Cc1cccc(C)c1 ZINC000052976425 173364860 /nfs/dbraw/zinc/36/48/60/173364860.db2.gz FIZRISJJQJYTRA-INIZCTEOSA-N 1 0 249.398 3.188 10 0 BGAERO CC[NH2+]C[C@@H](CCOCC)Cc1cccc(C)c1 ZINC000052976479 170119419 /nfs/dbraw/zinc/11/94/19/170119419.db2.gz MMWSXSOVXRKSEC-INIZCTEOSA-N 1 0 249.398 3.190 10 0 BGAERO CC[NH2+]C[C@H](CCOCC)Cc1cccc(C)c1 ZINC000052976481 170122045 /nfs/dbraw/zinc/12/20/45/170122045.db2.gz MMWSXSOVXRKSEC-MRXNPFEDSA-N 1 0 249.398 3.190 10 0 BGAERO CCCC[C@H](C[NH2+]C)Cc1cccc(OC)c1 ZINC000052978233 169003971 /nfs/dbraw/zinc/00/39/71/169003971.db2.gz PZWMPWGDZDQRAU-AWEZNQCLSA-N 1 0 235.371 3.264 10 0 BGAERO CCCC[C@@H](C[NH2+]C)Cc1cccc(OC)c1 ZINC000052978235 168963751 /nfs/dbraw/zinc/96/37/51/168963751.db2.gz PZWMPWGDZDQRAU-CQSZACIVSA-N 1 0 235.371 3.264 10 0 BGAERO CC[NH2+]C[C@@H](CCOCC)Cc1ccccc1C ZINC000052978757 170119529 /nfs/dbraw/zinc/11/95/29/170119529.db2.gz WRIIHPTYENSBMC-HNNXBMFYSA-N 1 0 249.398 3.190 10 0 BGAERO CC[NH2+]C[C@H](CCOCC)Cc1ccccc1C ZINC000052978758 170122114 /nfs/dbraw/zinc/12/21/14/170122114.db2.gz WRIIHPTYENSBMC-OAHLLOKOSA-N 1 0 249.398 3.190 10 0 BGAERO COCC[C@@H](C[NH2+]C(C)C)Cc1ccccc1C ZINC000052978862 174388106 /nfs/dbraw/zinc/38/81/06/174388106.db2.gz IVSXLHNHELUDMD-OAHLLOKOSA-N 1 0 249.398 3.188 10 0 BGAERO Cc1ccc(F)c([C@@H]([NH3+])Cc2ccccc2)c1 ZINC000052983800 178677915 /nfs/dbraw/zinc/67/79/15/178677915.db2.gz MEAJDVUXMDWGIB-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO CC[NH2+]C[C@@H]1CCN(c2c(C)cc(C)cc2C)C1 ZINC000053010506 170120384 /nfs/dbraw/zinc/12/03/84/170120384.db2.gz LBXBHXOWMSDXKL-HNNXBMFYSA-N 1 0 246.398 3.048 10 0 BGAERO CC[NH2+]C[C@H]1CCN(c2c(C)cc(C)cc2C)C1 ZINC000053010508 170122941 /nfs/dbraw/zinc/12/29/41/170122941.db2.gz LBXBHXOWMSDXKL-OAHLLOKOSA-N 1 0 246.398 3.048 10 0 BGAERO CCC[NH2+]C[C@@H]1CCN(c2ccccc2CC)C1 ZINC000053012333 169261980 /nfs/dbraw/zinc/26/19/80/169261980.db2.gz UWARKAJSJBLLPC-AWEZNQCLSA-N 1 0 246.398 3.075 10 0 BGAERO CCC[NH2+]C[C@H]1CCN(c2ccccc2CC)C1 ZINC000053012334 169264919 /nfs/dbraw/zinc/26/49/19/169264919.db2.gz UWARKAJSJBLLPC-CQSZACIVSA-N 1 0 246.398 3.075 10 0 BGAERO Cc1cccc(N2CC[C@H](C[NH2+]C(C)C)C2)c1C ZINC000053012651 179123849 /nfs/dbraw/zinc/12/38/49/179123849.db2.gz YAZXRSTYAQVJQQ-OAHLLOKOSA-N 1 0 246.398 3.128 10 0 BGAERO Cc1cccc(N2CC[C@@H](C[NH2+]C(C)C)C2)c1C ZINC000053012652 179122762 /nfs/dbraw/zinc/12/27/62/179122762.db2.gz YAZXRSTYAQVJQQ-HNNXBMFYSA-N 1 0 246.398 3.128 10 0 BGAERO CCC[NH2+]C[C@@H]1CCN(c2cccc(CC)c2)C1 ZINC000053012727 169262374 /nfs/dbraw/zinc/26/23/74/169262374.db2.gz LCTWSMHESOZUHC-HNNXBMFYSA-N 1 0 246.398 3.075 10 0 BGAERO CCC[NH2+]C[C@H]1CCN(c2cccc(CC)c2)C1 ZINC000053012728 169264630 /nfs/dbraw/zinc/26/46/30/169264630.db2.gz LCTWSMHESOZUHC-OAHLLOKOSA-N 1 0 246.398 3.075 10 0 BGAERO CCC[NH2+]C[C@@H]1CCN(c2c(C)cccc2C)C1 ZINC000053012753 169262284 /nfs/dbraw/zinc/26/22/84/169262284.db2.gz IOVCYUCJLGLWOC-HNNXBMFYSA-N 1 0 246.398 3.129 10 0 BGAERO CCC[NH2+]C[C@H]1CCN(c2c(C)cccc2C)C1 ZINC000053012754 169264818 /nfs/dbraw/zinc/26/48/18/169264818.db2.gz IOVCYUCJLGLWOC-OAHLLOKOSA-N 1 0 246.398 3.129 10 0 BGAERO CCC1(CC)CSC(NC(C)(C)C)=[NH+]1 ZINC000053044876 353371499 /nfs/dbraw/zinc/37/14/99/353371499.db2.gz BMXXCAFFMMKXTC-UHFFFAOYSA-N 1 0 214.378 3.036 10 0 BGAERO c1ccc(CNC2=[NH+]C3(CCCC3)CS2)cc1 ZINC000053045197 353371327 /nfs/dbraw/zinc/37/13/27/353371327.db2.gz JLSHQFZRRCKNPA-UHFFFAOYSA-N 1 0 246.379 3.192 10 0 BGAERO CCC1(CC)CO[C@H](c2ccc(C)cc2)C[NH2+]1 ZINC000053068503 168463732 /nfs/dbraw/zinc/46/37/32/168463732.db2.gz WIMBHDXEXRJFPZ-AWEZNQCLSA-N 1 0 233.355 3.215 10 0 BGAERO CCC1(CC)CO[C@H](c2cccc(F)c2)C[NH2+]1 ZINC000053068692 168464482 /nfs/dbraw/zinc/46/44/82/168464482.db2.gz CBELPTWTUQFILB-ZDUSSCGKSA-N 1 0 237.318 3.045 10 0 BGAERO CCC(CC)(CO)Nc1cc[nH+]c2ccccc12 ZINC000053071070 168329515 /nfs/dbraw/zinc/32/95/15/168329515.db2.gz JVKWTPLULDXSAL-UHFFFAOYSA-N 1 0 244.338 3.198 10 0 BGAERO C[C@H]1[NH2+]C2(CCCCC2)CO[C@H]1c1ccccc1 ZINC000053073325 187271381 /nfs/dbraw/zinc/27/13/81/187271381.db2.gz IDSIOEMKSFTZGN-UKRRQHHQSA-N 1 0 245.366 3.439 10 0 BGAERO Fc1cccc([C@@H]2C[NH2+]C3(CCCCC3)CO2)c1 ZINC000053073517 181004159 /nfs/dbraw/zinc/00/41/59/181004159.db2.gz OFJOUTFPYICCAU-AWEZNQCLSA-N 1 0 249.329 3.190 10 0 BGAERO Fc1cccc([C@H]2C[NH2+]C3(CCCCC3)CO2)c1 ZINC000053073518 181004191 /nfs/dbraw/zinc/00/41/91/181004191.db2.gz OFJOUTFPYICCAU-CQSZACIVSA-N 1 0 249.329 3.190 10 0 BGAERO Fc1ccccc1[C@H]1C[NH2+]C2(CCCCC2)CO1 ZINC000053073562 181015693 /nfs/dbraw/zinc/01/56/93/181015693.db2.gz VIGOIYOKTZTHHQ-CQSZACIVSA-N 1 0 249.329 3.190 10 0 BGAERO C[C@@H]1CCC[C@]2(CO[C@H](c3ccccc3)C[NH2+]2)C1 ZINC000053102518 176153272 /nfs/dbraw/zinc/15/32/72/176153272.db2.gz KZPVURMKVBQJJE-VNQPRFMTSA-N 1 0 245.366 3.296 10 0 BGAERO C[C@@H]1CCC[C@@]2(CO[C@H](c3ccccc3)C[NH2+]2)C1 ZINC000053102524 176134783 /nfs/dbraw/zinc/13/47/83/176134783.db2.gz KZPVURMKVBQJJE-KBMXLJTQSA-N 1 0 245.366 3.296 10 0 BGAERO CC1CCC(CO)([NH2+]CC2CCCCC2)CC1 ZINC000053112973 168156645 /nfs/dbraw/zinc/15/66/45/168156645.db2.gz XZTPRMITOBNGGQ-UHFFFAOYSA-N 1 0 239.403 3.098 10 0 BGAERO CC[NH2+][C@@H](Cc1cccnc1)c1ccccc1F ZINC000053131691 170146327 /nfs/dbraw/zinc/14/63/27/170146327.db2.gz HEZORIMWNXRSEB-HNNXBMFYSA-N 1 0 244.313 3.114 10 0 BGAERO CC[NH2+][C@H](Cc1cccnc1)c1ccccc1F ZINC000053131693 170163598 /nfs/dbraw/zinc/16/35/98/170163598.db2.gz HEZORIMWNXRSEB-OAHLLOKOSA-N 1 0 244.313 3.114 10 0 BGAERO CCC[NH2+][C@@H](Cc1cccnc1)CC(C)C ZINC000053131947 169279225 /nfs/dbraw/zinc/27/92/25/169279225.db2.gz VPMFFUSTSCNIBW-CQSZACIVSA-N 1 0 220.360 3.038 10 0 BGAERO CCC[NH2+][C@H](Cc1cccnc1)CC(C)C ZINC000053131953 169290037 /nfs/dbraw/zinc/29/00/37/169290037.db2.gz VPMFFUSTSCNIBW-AWEZNQCLSA-N 1 0 220.360 3.038 10 0 BGAERO CC[NH2+][C@@H](Cc1ccncc1)C1CCCCC1 ZINC000053135576 170146087 /nfs/dbraw/zinc/14/60/87/170146087.db2.gz RFJBIEYQHBWWSB-HNNXBMFYSA-N 1 0 232.371 3.183 10 0 BGAERO CC[NH2+][C@H](Cc1ccncc1)C1CCCCC1 ZINC000053135581 170162877 /nfs/dbraw/zinc/16/28/77/170162877.db2.gz RFJBIEYQHBWWSB-OAHLLOKOSA-N 1 0 232.371 3.183 10 0 BGAERO CC[NH2+][C@@H](Cc1ccncc1)c1ccccc1F ZINC000053135831 170146422 /nfs/dbraw/zinc/14/64/22/170146422.db2.gz KBWPQBFXEUUGRV-HNNXBMFYSA-N 1 0 244.313 3.114 10 0 BGAERO CC[NH2+][C@H](Cc1ccncc1)c1ccccc1F ZINC000053135834 170162961 /nfs/dbraw/zinc/16/29/61/170162961.db2.gz KBWPQBFXEUUGRV-OAHLLOKOSA-N 1 0 244.313 3.114 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccncc1)C1CCCC1 ZINC000053136073 169279828 /nfs/dbraw/zinc/27/98/28/169279828.db2.gz XIUIXGICGHXVHV-HNNXBMFYSA-N 1 0 232.371 3.183 10 0 BGAERO CCC[NH2+][C@H](Cc1ccncc1)C1CCCC1 ZINC000053136076 169289608 /nfs/dbraw/zinc/28/96/08/169289608.db2.gz XIUIXGICGHXVHV-OAHLLOKOSA-N 1 0 232.371 3.183 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccncc1)c1ccccc1 ZINC000053136091 169279438 /nfs/dbraw/zinc/27/94/38/169279438.db2.gz JMHFJZJAJALXTM-INIZCTEOSA-N 1 0 240.350 3.365 10 0 BGAERO CCC[NH2+][C@H](Cc1ccncc1)c1ccccc1 ZINC000053136093 169290242 /nfs/dbraw/zinc/29/02/42/169290242.db2.gz JMHFJZJAJALXTM-MRXNPFEDSA-N 1 0 240.350 3.365 10 0 BGAERO CC[NH2+][C@@H](CCOCC)Cc1ccc(C)c(C)c1 ZINC000053139734 170144848 /nfs/dbraw/zinc/14/48/48/170144848.db2.gz VIYGZHABIVIWPY-INIZCTEOSA-N 1 0 249.398 3.251 10 0 BGAERO CC[NH2+][C@H](CCOCC)Cc1ccc(C)c(C)c1 ZINC000053139738 170161884 /nfs/dbraw/zinc/16/18/84/170161884.db2.gz VIYGZHABIVIWPY-MRXNPFEDSA-N 1 0 249.398 3.251 10 0 BGAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@@H]1C[C@@H]1C ZINC000053139765 170146652 /nfs/dbraw/zinc/14/66/52/170146652.db2.gz MZXDFMNQPGGSGH-IMJJTQAJSA-N 1 0 231.383 3.480 10 0 BGAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@@H]1C[C@@H]1C ZINC000053139770 170162148 /nfs/dbraw/zinc/16/21/48/170162148.db2.gz MZXDFMNQPGGSGH-NUEKZKHPSA-N 1 0 231.383 3.480 10 0 BGAERO CC[NH2+][C@@H](Cc1ccc(C)c(C)c1)[C@H]1C[C@@H]1C ZINC000053139773 170146523 /nfs/dbraw/zinc/14/65/23/170146523.db2.gz MZXDFMNQPGGSGH-BPUTZDHNSA-N 1 0 231.383 3.480 10 0 BGAERO CC[NH2+][C@H](Cc1ccc(C)c(C)c1)[C@H]1C[C@@H]1C ZINC000053139778 170162631 /nfs/dbraw/zinc/16/26/31/170162631.db2.gz MZXDFMNQPGGSGH-CWRNSKLLSA-N 1 0 231.383 3.480 10 0 BGAERO COCC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000053147253 174415625 /nfs/dbraw/zinc/41/56/25/174415625.db2.gz WDNFBDITRUKREU-JTQLQIEISA-N 1 0 234.126 3.030 10 0 BGAERO COCC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000053147257 174393385 /nfs/dbraw/zinc/39/33/85/174393385.db2.gz WDNFBDITRUKREU-SNVBAGLBSA-N 1 0 234.126 3.030 10 0 BGAERO c1c2ccccc2oc1C1=C[NH+]2CCC1CC2 ZINC000053151300 347142281 /nfs/dbraw/zinc/14/22/81/347142281.db2.gz AYQKIBOBFAZBCX-UHFFFAOYSA-N 1 0 225.291 3.499 10 0 BGAERO Clc1ccc([C@@]23C[C@@H]2CC[NH2+]C3)cc1Cl ZINC000053229647 180585182 /nfs/dbraw/zinc/58/51/82/180585182.db2.gz IWEJGKHITDGZSV-CABZTGNLSA-N 1 0 242.149 3.244 10 0 BGAERO CC[C@H]1CCC2([NH2+]1)C1CC3CC(C1)CC2C3 ZINC000053230060 188337196 /nfs/dbraw/zinc/33/71/96/188337196.db2.gz JJOUOPDSZFMWGO-BPHCLYMKSA-N 1 0 219.372 3.343 10 0 BGAERO CC[C@@H](C)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC000053251125 386559482 /nfs/dbraw/zinc/55/94/82/386559482.db2.gz NJTMFJXJUMWAKQ-BDAKNGLRSA-N 1 0 210.346 3.081 10 0 BGAERO CC[C@H](C)c1csc([C@@H]2CCC[NH2+]2)n1 ZINC000053251127 386560786 /nfs/dbraw/zinc/56/07/86/386560786.db2.gz NJTMFJXJUMWAKQ-IUCAKERBSA-N 1 0 210.346 3.081 10 0 BGAERO CC[C@@H](C)c1csc([C@H]2CCC[NH2+]2)n1 ZINC000053251129 386559705 /nfs/dbraw/zinc/55/97/05/386559705.db2.gz NJTMFJXJUMWAKQ-RKDXNWHRSA-N 1 0 210.346 3.081 10 0 BGAERO CC[C@H](C)c1csc([C@H]2CCC[NH2+]2)n1 ZINC000053251130 386559966 /nfs/dbraw/zinc/55/99/66/386559966.db2.gz NJTMFJXJUMWAKQ-DTWKUNHWSA-N 1 0 210.346 3.081 10 0 BGAERO Fc1ccccc1-c1csc([C@@H]2CCC[NH2+]2)n1 ZINC000053251222 181008830 /nfs/dbraw/zinc/00/88/30/181008830.db2.gz BAGCPWQETLDQHL-NSHDSACASA-N 1 0 248.326 3.374 10 0 BGAERO Fc1ccccc1-c1csc([C@H]2CCC[NH2+]2)n1 ZINC000053251224 181009611 /nfs/dbraw/zinc/00/96/11/181009611.db2.gz BAGCPWQETLDQHL-LLVKDONJSA-N 1 0 248.326 3.374 10 0 BGAERO Cc1ccc(-c2csc(C3CC[NH2+]CC3)n2)o1 ZINC000053252481 178330413 /nfs/dbraw/zinc/33/04/13/178330413.db2.gz QFHIUVDSIYXGKZ-UHFFFAOYSA-N 1 0 248.351 3.179 10 0 BGAERO C[NH2+]Cc1nc(-c2ccc(C)cc2)c(C)s1 ZINC000053294090 173394991 /nfs/dbraw/zinc/39/49/91/173394991.db2.gz RPRGZPNOUOWAFS-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO C[NH2+]Cc1nc2c(s1)C[C@H](C(C)(C)C)CC2 ZINC000053294097 173396688 /nfs/dbraw/zinc/39/66/88/173396688.db2.gz DRSIBLPBKSBWBF-SECBINFHSA-N 1 0 238.400 3.014 10 0 BGAERO C[NH2+]Cc1nc2c(s1)C[C@@H](C(C)(C)C)CC2 ZINC000053294099 173396824 /nfs/dbraw/zinc/39/68/24/173396824.db2.gz DRSIBLPBKSBWBF-VIFPVBQESA-N 1 0 238.400 3.014 10 0 BGAERO CC[NH2+]Cc1nc(-c2cccc(F)c2)cs1 ZINC000053294234 170130735 /nfs/dbraw/zinc/13/07/35/170130735.db2.gz CYUKCZYIXUTNPC-UHFFFAOYSA-N 1 0 236.315 3.059 10 0 BGAERO CC[NH2+]Cc1nc(-c2cc(C)oc2C)cs1 ZINC000053294499 170130508 /nfs/dbraw/zinc/13/05/08/170130508.db2.gz OSFCUEDGHMZKLO-UHFFFAOYSA-N 1 0 236.340 3.129 10 0 BGAERO CC[NH2+]Cc1nc(-c2cccs2)c(C)s1 ZINC000053294533 170130101 /nfs/dbraw/zinc/13/01/01/170130101.db2.gz PYRBWIPRVOOXGG-UHFFFAOYSA-N 1 0 238.381 3.290 10 0 BGAERO CC[C@@H]1CCc2nc(C[NH2+]C(C)C)sc2C1 ZINC000053295488 171060912 /nfs/dbraw/zinc/06/09/12/171060912.db2.gz CJPDIMVZJCSZIN-SNVBAGLBSA-N 1 0 238.400 3.156 10 0 BGAERO Cc1ccc(-c2csc(C[NH2+]C(C)C)n2)o1 ZINC000053295505 178330694 /nfs/dbraw/zinc/33/06/94/178330694.db2.gz ZNWRKDIQASAJNL-UHFFFAOYSA-N 1 0 236.340 3.210 10 0 BGAERO CC(C)[NH2+]Cc1nc(-c2cccs2)cs1 ZINC000053295508 167121821 /nfs/dbraw/zinc/12/18/21/167121821.db2.gz CAOXTNWDRUEXPE-UHFFFAOYSA-N 1 0 238.381 3.370 10 0 BGAERO CC(C)[NH2+]Cc1nc(-c2ccsc2)cs1 ZINC000053295543 167120392 /nfs/dbraw/zinc/12/03/92/167120392.db2.gz BIASMXJVFZLSFD-UHFFFAOYSA-N 1 0 238.381 3.370 10 0 BGAERO CC(C)(C)[NH2+]Cc1nc(-c2ccco2)cs1 ZINC000053295741 166635909 /nfs/dbraw/zinc/63/59/09/166635909.db2.gz CRIQIFLATLNTDA-UHFFFAOYSA-N 1 0 236.340 3.291 10 0 BGAERO C[C@@H]1CCc2nc(C[NH2+]C(C)(C)C)sc2C1 ZINC000053295833 176240553 /nfs/dbraw/zinc/24/05/53/176240553.db2.gz SKIPJQDSLQQYIB-SECBINFHSA-N 1 0 238.400 3.156 10 0 BGAERO C[C@H]1CCc2nc(C[NH2+]C(C)(C)C)sc2C1 ZINC000053295838 177210099 /nfs/dbraw/zinc/21/00/99/177210099.db2.gz SKIPJQDSLQQYIB-VIFPVBQESA-N 1 0 238.400 3.156 10 0 BGAERO CC[NH2+][C@@H](c1ccc(CC)cc1)c1ccccn1 ZINC000053297063 170148033 /nfs/dbraw/zinc/14/80/33/170148033.db2.gz VYDWISOJRYBTAT-INIZCTEOSA-N 1 0 240.350 3.343 10 0 BGAERO CC[NH2+][C@H](c1ccc(CC)cc1)c1ccccn1 ZINC000053297065 170162946 /nfs/dbraw/zinc/16/29/46/170162946.db2.gz VYDWISOJRYBTAT-MRXNPFEDSA-N 1 0 240.350 3.343 10 0 BGAERO CCc1ccc([C@H]([NH3+])c2ncccc2C)cc1 ZINC000053297216 171844104 /nfs/dbraw/zinc/84/41/04/171844104.db2.gz VBIUKBCPNHFSJU-AWEZNQCLSA-N 1 0 226.323 3.001 10 0 BGAERO Cc1ccc([C@@H]2CCCCC[NH2+]2)cc1F ZINC000053298043 634144654 /nfs/dbraw/zinc/14/46/54/634144654.db2.gz MQCTVQDMTYULQD-ZDUSSCGKSA-N 1 0 207.292 3.339 10 0 BGAERO Cc1ccc([C@H]2CCCCC[NH2+]2)cc1F ZINC000053298048 634143812 /nfs/dbraw/zinc/14/38/12/634143812.db2.gz MQCTVQDMTYULQD-CYBMUJFWSA-N 1 0 207.292 3.339 10 0 BGAERO Fc1cc(F)cc([C@@H]2CCCCC[NH2+]2)c1 ZINC000053298142 633234237 /nfs/dbraw/zinc/23/42/37/633234237.db2.gz LFIDEJTUSZAKTE-LBPRGKRZSA-N 1 0 211.255 3.170 10 0 BGAERO Fc1cc(F)cc([C@H]2CCCCC[NH2+]2)c1 ZINC000053298145 634143822 /nfs/dbraw/zinc/14/38/22/634143822.db2.gz LFIDEJTUSZAKTE-GFCCVEGCSA-N 1 0 211.255 3.170 10 0 BGAERO FC(F)Oc1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000053298161 180906374 /nfs/dbraw/zinc/90/63/74/180906374.db2.gz XKQIWVVVDXZOEA-LBPRGKRZSA-N 1 0 241.281 3.493 10 0 BGAERO CCCN(CC[NH2+]C)Cc1c(C)cc(C)cc1C ZINC000053300175 169159335 /nfs/dbraw/zinc/15/93/35/169159335.db2.gz KDMNMIXWKWZJFB-UHFFFAOYSA-N 1 0 248.414 3.043 10 0 BGAERO CCC[NH2+]CCOCc1c(C)cc(C)cc1C ZINC000053300299 169260376 /nfs/dbraw/zinc/26/03/76/169260376.db2.gz RDCRQNMFZDRMGV-UHFFFAOYSA-N 1 0 235.371 3.128 10 0 BGAERO CC[NH2+][C@@H](CCc1c(C)cc(C)cc1C)COC ZINC000053300475 170144913 /nfs/dbraw/zinc/14/49/13/170144913.db2.gz YLPHDWXTMVJXME-HNNXBMFYSA-N 1 0 249.398 3.169 10 0 BGAERO CC[NH2+][C@H](CCc1c(C)cc(C)cc1C)COC ZINC000053300477 170162466 /nfs/dbraw/zinc/16/24/66/170162466.db2.gz YLPHDWXTMVJXME-OAHLLOKOSA-N 1 0 249.398 3.169 10 0 BGAERO Cc1cc(C)c(C[C@@H]([NH3+])C[C@@H]2CCCO2)c(C)c1 ZINC000053301136 177863501 /nfs/dbraw/zinc/86/35/01/177863501.db2.gz DVPBTTKBNNJEAM-GJZGRUSLSA-N 1 0 247.382 3.051 10 0 BGAERO Cc1cc(C)c(C[C@@H]([NH3+])CC(F)(F)F)c(C)c1 ZINC000053301388 177862970 /nfs/dbraw/zinc/86/29/70/177862970.db2.gz YBRBAOBRMJUWOD-LLVKDONJSA-N 1 0 245.288 3.434 10 0 BGAERO CC[NH2+][C@@H](CCOC)Cc1c(C)cc(C)cc1C ZINC000053301409 170144834 /nfs/dbraw/zinc/14/48/34/170144834.db2.gz MNSNQYFKKCXJJV-HNNXBMFYSA-N 1 0 249.398 3.169 10 0 BGAERO CC[NH2+][C@H](CCOC)Cc1c(C)cc(C)cc1C ZINC000053301410 170161916 /nfs/dbraw/zinc/16/19/16/170161916.db2.gz MNSNQYFKKCXJJV-OAHLLOKOSA-N 1 0 249.398 3.169 10 0 BGAERO CC[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000053302005 170117367 /nfs/dbraw/zinc/11/73/67/170117367.db2.gz GLKJYFKYZQILEY-UHFFFAOYSA-N 1 0 205.345 3.136 10 0 BGAERO CC(C)[NH2+]CCc1cc(Br)cs1 ZINC000053302369 167109842 /nfs/dbraw/zinc/10/98/42/167109842.db2.gz GBSBBPGWCCSPOP-UHFFFAOYSA-N 1 0 248.189 3.051 10 0 BGAERO Clc1ccc(CC[NH2+]C2CC2)cc1Cl ZINC000053302406 180578643 /nfs/dbraw/zinc/57/86/43/180578643.db2.gz JFHGGSKMZTYMBX-UHFFFAOYSA-N 1 0 230.138 3.288 10 0 BGAERO CC(C)c1ccc(CC[NH2+]C2CC2)cc1 ZINC000053302461 167593419 /nfs/dbraw/zinc/59/34/19/167593419.db2.gz JDWWTZYWYWBDCE-UHFFFAOYSA-N 1 0 203.329 3.105 10 0 BGAERO CC(C)(C)[NH2+]CCc1cccc2cccnc21 ZINC000053302612 166632385 /nfs/dbraw/zinc/63/23/85/166632385.db2.gz UACHRQOCJMCCLN-UHFFFAOYSA-N 1 0 228.339 3.165 10 0 BGAERO COc1ccc(Cl)cc1CC[NH2+]C(C)(C)C ZINC000053302627 175120811 /nfs/dbraw/zinc/12/08/11/175120811.db2.gz LCQXGVSPVIYCCV-UHFFFAOYSA-N 1 0 241.762 3.279 10 0 BGAERO C[NH2+][C@H](Cc1ccccn1)c1cc(C)ccc1C ZINC000053303329 173454599 /nfs/dbraw/zinc/45/45/99/173454599.db2.gz YGWUTOVDXFLJHE-MRXNPFEDSA-N 1 0 240.350 3.202 10 0 BGAERO Cc1cccc(C2([NH3+])Cc3ccccc3C2)c1C ZINC000053328515 179051401 /nfs/dbraw/zinc/05/14/01/179051401.db2.gz MPOSCGXADKTVJM-UHFFFAOYSA-N 1 0 237.346 3.256 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2cccc(C)c2C)c1 ZINC000053329334 175288614 /nfs/dbraw/zinc/28/86/14/175288614.db2.gz ILXBICPZKGYFBK-MRXNPFEDSA-N 1 0 241.334 3.360 10 0 BGAERO COc1cccc([C@H]([NH3+])c2cccc(C)c2C)c1 ZINC000053329339 175295296 /nfs/dbraw/zinc/29/52/96/175295296.db2.gz ILXBICPZKGYFBK-INIZCTEOSA-N 1 0 241.334 3.360 10 0 BGAERO CC[NH2+][C@@H](c1ccncc1)c1cccc(C)c1C ZINC000053329595 170148382 /nfs/dbraw/zinc/14/83/82/170148382.db2.gz BMMQGRBVVTZCFT-INIZCTEOSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@H](c1ccncc1)c1cccc(C)c1C ZINC000053329598 170165063 /nfs/dbraw/zinc/16/50/63/170165063.db2.gz BMMQGRBVVTZCFT-MRXNPFEDSA-N 1 0 240.350 3.397 10 0 BGAERO C[NH2+][C@@H](Cc1ccccn1)c1cccc(C)c1C ZINC000053329727 173425513 /nfs/dbraw/zinc/42/55/13/173425513.db2.gz XQNRZFOKUKKWOL-INIZCTEOSA-N 1 0 240.350 3.202 10 0 BGAERO Cc1cccc([C@H]([NH3+])CC(F)(F)F)c1C ZINC000053330019 356626041 /nfs/dbraw/zinc/62/60/41/356626041.db2.gz XXBJRDMXGZAKPQ-SNVBAGLBSA-N 1 0 217.234 3.256 10 0 BGAERO Cc1cccc([C@@H]([NH3+])CC(F)(F)F)c1C ZINC000053330023 356625766 /nfs/dbraw/zinc/62/57/66/356625766.db2.gz XXBJRDMXGZAKPQ-JTQLQIEISA-N 1 0 217.234 3.256 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ncccc2C)c1C ZINC000053330200 179398150 /nfs/dbraw/zinc/39/81/50/179398150.db2.gz BYKUEUCGDFYVIK-AWEZNQCLSA-N 1 0 226.323 3.055 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ncccc2C)c1C ZINC000053330204 179397070 /nfs/dbraw/zinc/39/70/70/179397070.db2.gz BYKUEUCGDFYVIK-CQSZACIVSA-N 1 0 226.323 3.055 10 0 BGAERO CCC[NH2+][C@@H]1CCOc2ccc(CCC)cc21 ZINC000053331477 169283147 /nfs/dbraw/zinc/28/31/47/169283147.db2.gz KJDBIALWJDAUBH-CQSZACIVSA-N 1 0 233.355 3.462 10 0 BGAERO CCC[NH2+][C@H]1CCOc2ccc(CCC)cc21 ZINC000053331481 169292369 /nfs/dbraw/zinc/29/23/69/169292369.db2.gz KJDBIALWJDAUBH-AWEZNQCLSA-N 1 0 233.355 3.462 10 0 BGAERO CCCc1ccc(O[C@@H]2CCC[C@@H]2[NH2+]C)cc1 ZINC000053332838 169572701 /nfs/dbraw/zinc/57/27/01/169572701.db2.gz UPUPCZBUHZODCJ-LSDHHAIUSA-N 1 0 233.355 3.158 10 0 BGAERO CCC[NH2+]CCOc1ccc(CCC)cc1 ZINC000053333075 169260446 /nfs/dbraw/zinc/26/04/46/169260446.db2.gz UGIZRLHVBJQVDW-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1ccc(CCC)cc1 ZINC000053335380 169263547 /nfs/dbraw/zinc/26/35/47/169263547.db2.gz WJLWKCRCKWQJSE-ZDUSSCGKSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1ccc(CCC)cc1 ZINC000053335385 169262938 /nfs/dbraw/zinc/26/29/38/169262938.db2.gz WJLWKCRCKWQJSE-CYBMUJFWSA-N 1 0 235.371 3.406 10 0 BGAERO CCCc1ccc(OCCCC[NH2+]CC)cc1 ZINC000053335447 169572548 /nfs/dbraw/zinc/57/25/48/169572548.db2.gz SMYKAKJYZRBIKK-UHFFFAOYSA-N 1 0 235.371 3.408 10 0 BGAERO CC[C@H](C)N(CC)CC[NH2+]C1CCCCCC1 ZINC000053341781 171312492 /nfs/dbraw/zinc/31/24/92/171312492.db2.gz BYIXQRJURUBMDD-AWEZNQCLSA-N 1 0 240.435 3.419 10 0 BGAERO C[C@@H]1CCN(CC[NH2+]C2CCCCC2)[C@H](C)C1 ZINC000053342097 176170012 /nfs/dbraw/zinc/17/00/12/176170012.db2.gz RGISYQRGQUPJAM-ZIAGYGMSSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@@H]1C[C@@H](C)CCN1CC[NH2+]C1CCCCC1 ZINC000053342099 177160208 /nfs/dbraw/zinc/16/02/08/177160208.db2.gz RGISYQRGQUPJAM-UONOGXRCSA-N 1 0 238.419 3.029 10 0 BGAERO Cc1cccc(N(C)CC[NH2+]C2CCCCC2)c1 ZINC000053342391 179116086 /nfs/dbraw/zinc/11/60/86/179116086.db2.gz LBABSLKVWQFFBO-UHFFFAOYSA-N 1 0 246.398 3.354 10 0 BGAERO Cc1ccccc1NCC[N@H+]1CCCC[C@@H]1C ZINC000053343407 179304926 /nfs/dbraw/zinc/30/49/26/179304926.db2.gz DFHPBWWZDZZHKV-AWEZNQCLSA-N 1 0 232.371 3.281 10 0 BGAERO Cc1ccccc1NCC[N@H+]1CCCC[C@H]1C ZINC000053343408 179304856 /nfs/dbraw/zinc/30/48/56/179304856.db2.gz DFHPBWWZDZZHKV-CQSZACIVSA-N 1 0 232.371 3.281 10 0 BGAERO CCC[C@@H](C)[NH2+]CCN(CC)C1CCCCC1 ZINC000053344292 169370133 /nfs/dbraw/zinc/37/01/33/169370133.db2.gz QJQUCMCMSXMTKT-CQSZACIVSA-N 1 0 240.435 3.419 10 0 BGAERO Cc1ccccc1NCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000053344470 179305229 /nfs/dbraw/zinc/30/52/29/179305229.db2.gz VXOCUCYZTMNWLM-OKILXGFUSA-N 1 0 246.398 3.385 10 0 BGAERO Cc1ccccc1NCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000053344471 179304595 /nfs/dbraw/zinc/30/45/95/179304595.db2.gz VXOCUCYZTMNWLM-KBPBESRZSA-N 1 0 246.398 3.385 10 0 BGAERO Cc1ccccc1NCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000053344472 179304877 /nfs/dbraw/zinc/30/48/77/179304877.db2.gz VXOCUCYZTMNWLM-ZIAGYGMSSA-N 1 0 246.398 3.385 10 0 BGAERO CCC[NH+](CCC)CCNc1cccc(F)c1 ZINC000053344848 169146736 /nfs/dbraw/zinc/14/67/36/169146736.db2.gz ZXIUAHMDRSRZJX-UHFFFAOYSA-N 1 0 238.350 3.360 10 0 BGAERO C[N@H+](CCNc1ccccc1F)C1CCCC1 ZINC000053376880 172747084 /nfs/dbraw/zinc/74/70/84/172747084.db2.gz ZPPUCMRDCLWFLJ-UHFFFAOYSA-N 1 0 236.334 3.112 10 0 BGAERO CC[C@H](C)N(CC)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053377824 171312717 /nfs/dbraw/zinc/31/27/17/171312717.db2.gz CMNUIKGGBZTGOR-SOUVJXGZSA-N 1 0 240.435 3.275 10 0 BGAERO CC[C@H](C)[N@H+](CC)CCNc1ccccc1F ZINC000053377862 171311732 /nfs/dbraw/zinc/31/17/32/171311732.db2.gz CQGRJTXVBPTXQQ-LBPRGKRZSA-N 1 0 238.350 3.358 10 0 BGAERO CCCN(CC[NH2+][C@@H]1CCCC[C@@H]1C)C1CC1 ZINC000053378178 169159254 /nfs/dbraw/zinc/15/92/54/169159254.db2.gz MGERLKPSVYUWLB-DZGCQCFKSA-N 1 0 238.419 3.029 10 0 BGAERO CCCN(CC[NH2+][C@H]1CCCC[C@@H]1C)C1CC1 ZINC000053378181 169159995 /nfs/dbraw/zinc/15/99/95/169159995.db2.gz MGERLKPSVYUWLB-ZFWWWQNUSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[N@H+](CCNc1ccccc1F)C1CC1 ZINC000053378206 169159040 /nfs/dbraw/zinc/15/90/40/169159040.db2.gz WZXHEHCAOMHPDP-UHFFFAOYSA-N 1 0 236.334 3.112 10 0 BGAERO CCCN(CC[NH2+]CC1CCCCC1)C1CC1 ZINC000053378233 169159422 /nfs/dbraw/zinc/15/94/22/169159422.db2.gz ABGXCTOLTYJMDH-UHFFFAOYSA-N 1 0 238.419 3.031 10 0 BGAERO CCCN(CC[NH2+][C@@H]1CCCC[C@@H]1C)C(C)C ZINC000053378404 169160335 /nfs/dbraw/zinc/16/03/35/169160335.db2.gz GWWNHHZDKPMPSX-LSDHHAIUSA-N 1 0 240.435 3.275 10 0 BGAERO CCCN(CC[NH2+][C@H]1CCCC[C@@H]1C)C(C)C ZINC000053378407 169159763 /nfs/dbraw/zinc/15/97/63/169159763.db2.gz GWWNHHZDKPMPSX-GJZGRUSLSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[N@H+](CCNc1ccccc1F)C(C)C ZINC000053378434 169159902 /nfs/dbraw/zinc/15/99/02/169159902.db2.gz ZNENMGXXWILACM-UHFFFAOYSA-N 1 0 238.350 3.358 10 0 BGAERO CCCN(CC[NH2+]CC1CCCCC1)C(C)C ZINC000053378462 169160191 /nfs/dbraw/zinc/16/01/91/169160191.db2.gz ZXVPNUBPAPDBOY-UHFFFAOYSA-N 1 0 240.435 3.277 10 0 BGAERO CC[C@H](C)CN(C)CC[NH2+][C@@H]1CCCC[C@@H]1C ZINC000053379912 171272944 /nfs/dbraw/zinc/27/29/44/171272944.db2.gz PLLGOBSAGXSSGJ-SOUVJXGZSA-N 1 0 240.435 3.133 10 0 BGAERO CC[C@H](C)C[N@H+](C)CCNc1ccccc1F ZINC000053379956 171272372 /nfs/dbraw/zinc/27/23/72/171272372.db2.gz JRYLCZJGEYEPGP-LBPRGKRZSA-N 1 0 238.350 3.216 10 0 BGAERO Cc1ccccc1NCC[N@@H+](C)[C@@H](C)C1CC1 ZINC000053384131 179305075 /nfs/dbraw/zinc/30/50/75/179305075.db2.gz NBFMDOHDWTZEGQ-ZDUSSCGKSA-N 1 0 232.371 3.137 10 0 BGAERO Cc1ccccc1NCC[N@@H+](C)[C@H](C)C1CC1 ZINC000053384133 179304803 /nfs/dbraw/zinc/30/48/03/179304803.db2.gz NBFMDOHDWTZEGQ-CYBMUJFWSA-N 1 0 232.371 3.137 10 0 BGAERO Cc1ccc(NCC[N@@H+](C)[C@H](C)C(C)C)cc1 ZINC000053384594 178758759 /nfs/dbraw/zinc/75/87/59/178758759.db2.gz DDOOCZWLVBSJSF-CQSZACIVSA-N 1 0 234.387 3.383 10 0 BGAERO Cc1ccccc1NCC[N@@H+](C)[C@@H](C)C(C)C ZINC000053384643 179305067 /nfs/dbraw/zinc/30/50/67/179305067.db2.gz RLRNEDRNHZPJDJ-AWEZNQCLSA-N 1 0 234.387 3.383 10 0 BGAERO Cc1ccccc1NCC[N@@H+](C)[C@H](C)C(C)C ZINC000053384645 179304288 /nfs/dbraw/zinc/30/42/88/179304288.db2.gz RLRNEDRNHZPJDJ-CQSZACIVSA-N 1 0 234.387 3.383 10 0 BGAERO C[C@@H]1CCCN(CC[NH2+]CCC(C)(C)C)[C@@H]1C ZINC000053387049 176097909 /nfs/dbraw/zinc/09/79/09/176097909.db2.gz BELYMXGAMDEFPP-ZIAGYGMSSA-N 1 0 240.435 3.133 10 0 BGAERO C[C@@H]1[C@@H](C)CCCN1CC[NH2+]CCC(C)(C)C ZINC000053387052 177098752 /nfs/dbraw/zinc/09/87/52/177098752.db2.gz BELYMXGAMDEFPP-UONOGXRCSA-N 1 0 240.435 3.133 10 0 BGAERO CCC(CC)[NH2+]CCN(CC(C)C)CC(C)C ZINC000053389753 168387286 /nfs/dbraw/zinc/38/72/86/168387286.db2.gz YTHQZFOYGPSXRV-UHFFFAOYSA-N 1 0 242.451 3.379 10 0 BGAERO CCC(C)(C)[NH2+]CCN(CC(C)C)CC(C)C ZINC000053389828 168297344 /nfs/dbraw/zinc/29/73/44/168297344.db2.gz FJVVAXHPNSQNDQ-UHFFFAOYSA-N 1 0 242.451 3.379 10 0 BGAERO CCCC[NH2+]CCN(CC)c1ccc(F)cc1 ZINC000053426709 168867411 /nfs/dbraw/zinc/86/74/11/168867411.db2.gz OCIOGDOJDCPKLA-UHFFFAOYSA-N 1 0 238.350 3.042 10 0 BGAERO CCN(CC[NH2+][C@@H](C)C(C)C)c1ccc(C)cc1 ZINC000053429700 169845841 /nfs/dbraw/zinc/84/58/41/169845841.db2.gz PXRRAIXLWZBQIO-HNNXBMFYSA-N 1 0 248.414 3.455 10 0 BGAERO CCN(CC[NH2+][C@H](C)C(C)C)c1ccc(C)cc1 ZINC000053429704 169844985 /nfs/dbraw/zinc/84/49/85/169844985.db2.gz PXRRAIXLWZBQIO-OAHLLOKOSA-N 1 0 248.414 3.455 10 0 BGAERO CCC[C@@H](C)[NH2+]CCN(C)c1ccc(F)cc1 ZINC000053429818 169369450 /nfs/dbraw/zinc/36/94/50/169369450.db2.gz LZSRDXFOKNIQPJ-GFCCVEGCSA-N 1 0 238.350 3.040 10 0 BGAERO CCC[C@@H](C)[NH2+]CCN(C)c1ccc(C)cc1 ZINC000053430232 169369798 /nfs/dbraw/zinc/36/97/98/169369798.db2.gz FVJQCMHWEZRCAE-CQSZACIVSA-N 1 0 234.387 3.209 10 0 BGAERO Cc1ccc(N(C)CC[NH2+]CCC(C)(C)C)cc1 ZINC000053430332 178698927 /nfs/dbraw/zinc/69/89/27/178698927.db2.gz WHIRZKFTDGDXFV-UHFFFAOYSA-N 1 0 248.414 3.457 10 0 BGAERO CCC[C@@H](C)[NH2+]CCN(C)c1ccccc1C ZINC000053433304 169369616 /nfs/dbraw/zinc/36/96/16/169369616.db2.gz MEACAYMTKKKLCA-CQSZACIVSA-N 1 0 234.387 3.209 10 0 BGAERO Cc1ccccc1N(C)CC[NH2+]CC1CCCC1 ZINC000053433365 179294331 /nfs/dbraw/zinc/29/43/31/179294331.db2.gz OLQZBYMANSYIDD-UHFFFAOYSA-N 1 0 246.398 3.211 10 0 BGAERO Cc1ccccc1N(C)CC[NH2+]CCCC(C)C ZINC000053433389 179294093 /nfs/dbraw/zinc/29/40/93/179294093.db2.gz RKGKNVYPLVIGFS-UHFFFAOYSA-N 1 0 248.414 3.457 10 0 BGAERO Cc1ccccc1N(C)CC[NH2+]CCC(C)(C)C ZINC000053433405 179294761 /nfs/dbraw/zinc/29/47/61/179294761.db2.gz MTOWARMBDNLABW-UHFFFAOYSA-N 1 0 248.414 3.457 10 0 BGAERO Cc1ccccc1N(C)CC[NH2+][C@@H](C)C(C)C ZINC000053433432 179294418 /nfs/dbraw/zinc/29/44/18/179294418.db2.gz KGSAWPWXGDSMAZ-AWEZNQCLSA-N 1 0 234.387 3.065 10 0 BGAERO Cc1ccccc1N(C)CC[NH2+][C@H](C)C(C)C ZINC000053433435 179294549 /nfs/dbraw/zinc/29/45/49/179294549.db2.gz KGSAWPWXGDSMAZ-CQSZACIVSA-N 1 0 234.387 3.065 10 0 BGAERO CCC[C@@H](C)[NH2+]CCN(C)c1ccc(CC)cc1 ZINC000053433838 169369435 /nfs/dbraw/zinc/36/94/35/169369435.db2.gz KJLMQTZDUJMSNB-CQSZACIVSA-N 1 0 248.414 3.463 10 0 BGAERO CCC[C@H](C)[NH2+]CCN(C)c1ccc(CC)cc1 ZINC000053433840 169493446 /nfs/dbraw/zinc/49/34/46/169493446.db2.gz KJLMQTZDUJMSNB-AWEZNQCLSA-N 1 0 248.414 3.463 10 0 BGAERO CCc1ccc(N(C)CC[NH2+][C@@H](C)C2CC2)cc1 ZINC000053433959 171815584 /nfs/dbraw/zinc/81/55/84/171815584.db2.gz SHKDRKXDGVZZNI-ZDUSSCGKSA-N 1 0 246.398 3.073 10 0 BGAERO CCC(C)(C)[NH2+]CCN(C)c1ccccc1F ZINC000053434573 168297877 /nfs/dbraw/zinc/29/78/77/168297877.db2.gz TXUUWGQOFJEQIB-UHFFFAOYSA-N 1 0 238.350 3.040 10 0 BGAERO CCC(CC)[NH2+]CCN(C)c1cccc(F)c1 ZINC000053436258 168387419 /nfs/dbraw/zinc/38/74/19/168387419.db2.gz ZGVUDJFOMDKJQG-UHFFFAOYSA-N 1 0 238.350 3.040 10 0 BGAERO Cc1cccc(NCC[N@@H+](C)CC(C)(C)C)c1 ZINC000053440613 179144974 /nfs/dbraw/zinc/14/49/74/179144974.db2.gz QHJNYNLORIUYRW-UHFFFAOYSA-N 1 0 234.387 3.385 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+]CCN(C)CC(C)(C)C)C1 ZINC000053440683 176143556 /nfs/dbraw/zinc/14/35/56/176143556.db2.gz FUYRLDCYIBQAKG-KGLIPLIRSA-N 1 0 240.435 3.133 10 0 BGAERO C[C@H]1CCC[C@H]([NH2+]CCN(C)CC(C)(C)C)C1 ZINC000053440686 177136803 /nfs/dbraw/zinc/13/68/03/177136803.db2.gz FUYRLDCYIBQAKG-KBPBESRZSA-N 1 0 240.435 3.133 10 0 BGAERO C[C@@H]1CCC[C@@H]([NH2+]CCN(C)CC(C)(C)C)C1 ZINC000053440690 176123614 /nfs/dbraw/zinc/12/36/14/176123614.db2.gz FUYRLDCYIBQAKG-ZIAGYGMSSA-N 1 0 240.435 3.133 10 0 BGAERO C[C@H]1CCC[C@@H]([NH2+]CCN(C)CC(C)(C)C)C1 ZINC000053440694 177123292 /nfs/dbraw/zinc/12/32/92/177123292.db2.gz FUYRLDCYIBQAKG-UONOGXRCSA-N 1 0 240.435 3.133 10 0 BGAERO C[C@@H](CNc1ccccc1)[NH+]1CCC(C)CC1 ZINC000053485739 168186333 /nfs/dbraw/zinc/18/63/33/168186333.db2.gz HDMYJQMSEUUFFN-AWEZNQCLSA-N 1 0 232.371 3.219 10 0 BGAERO C[C@H](CNc1ccccc1)[NH+]1CCC(C)CC1 ZINC000053485741 168185872 /nfs/dbraw/zinc/18/58/72/168185872.db2.gz HDMYJQMSEUUFFN-CQSZACIVSA-N 1 0 232.371 3.219 10 0 BGAERO C[C@@H](C[NH2+]C1CCCCC1)N1CCCCCC1 ZINC000053486601 175730914 /nfs/dbraw/zinc/73/09/14/175730914.db2.gz SKGZPZXRAGIMAX-AWEZNQCLSA-N 1 0 238.419 3.173 10 0 BGAERO CCC(CC)[NH2+]C[C@@H](C)[N@H+](C)C1CCCCC1 ZINC000053486841 168388850 /nfs/dbraw/zinc/38/88/50/168388850.db2.gz STKPAQPTVPOWEO-CYBMUJFWSA-N 1 0 240.435 3.418 10 0 BGAERO CCC(CC)[NH2+]C[C@H](C)[N@H+](C)C1CCCCC1 ZINC000053486843 168388616 /nfs/dbraw/zinc/38/86/16/168388616.db2.gz STKPAQPTVPOWEO-ZDUSSCGKSA-N 1 0 240.435 3.418 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](C)N(CC)C1CCCCC1 ZINC000053487153 171342029 /nfs/dbraw/zinc/34/20/29/171342029.db2.gz MJZLQJNBZUTSFT-KBPBESRZSA-N 1 0 240.435 3.418 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000053487350 169369989 /nfs/dbraw/zinc/36/99/89/169369989.db2.gz KNOIHNAQTRTWJW-LXTVHRRPSA-N 1 0 240.435 3.131 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@H](C)N1C[C@H](C)C[C@H](C)C1 ZINC000053487354 169369553 /nfs/dbraw/zinc/36/95/53/169369553.db2.gz KNOIHNAQTRTWJW-BARDWOONSA-N 1 0 240.435 3.131 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@@H](C)N1CCCCCCC1 ZINC000053488697 169369750 /nfs/dbraw/zinc/36/97/50/169369750.db2.gz CJHFNNJNAGLHMR-HUUCEWRRSA-N 1 0 240.435 3.419 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@H](C)N1CCCCCCC1 ZINC000053488701 169369508 /nfs/dbraw/zinc/36/95/08/169369508.db2.gz CJHFNNJNAGLHMR-CABCVRRESA-N 1 0 240.435 3.419 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@@H](C)N(CC)C1CCCC1 ZINC000053490983 169369542 /nfs/dbraw/zinc/36/95/42/169369542.db2.gz NJTUBYMABPUNIG-ZIAGYGMSSA-N 1 0 240.435 3.418 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@H](C)N(CC)C1CCCC1 ZINC000053490986 169369712 /nfs/dbraw/zinc/36/97/12/169369712.db2.gz NJTUBYMABPUNIG-KGLIPLIRSA-N 1 0 240.435 3.418 10 0 BGAERO CCC(C)(C)[NH2+]C[C@H](C)N1CC[C@H](C)C[C@@H]1C ZINC000053492959 168299175 /nfs/dbraw/zinc/29/91/75/168299175.db2.gz ILYYFADXGMQFCT-IHRRRGAJSA-N 1 0 240.435 3.274 10 0 BGAERO CCCN(CC1CC1)[C@@H](C)C[NH2+]C(CC)CC ZINC000053495721 169137956 /nfs/dbraw/zinc/13/79/56/169137956.db2.gz LIOAJQRMRJVOMU-ZDUSSCGKSA-N 1 0 240.435 3.275 10 0 BGAERO CC1CC[NH+](CCCNc2ccccc2)CC1 ZINC000053498807 168179203 /nfs/dbraw/zinc/17/92/03/168179203.db2.gz SMIWASGHUMHCME-UHFFFAOYSA-N 1 0 232.371 3.221 10 0 BGAERO C[C@@H]1CCC[N@H+](CCCNc2ccccc2)C1 ZINC000053498828 176097283 /nfs/dbraw/zinc/09/72/83/176097283.db2.gz DTOIGBHDWGFZPK-CQSZACIVSA-N 1 0 232.371 3.221 10 0 BGAERO C[C@H]1CCC[N@H+](CCCNc2ccccc2)C1 ZINC000053498829 177097834 /nfs/dbraw/zinc/09/78/34/177097834.db2.gz DTOIGBHDWGFZPK-AWEZNQCLSA-N 1 0 232.371 3.221 10 0 BGAERO CC(C)[C@H](C)[N@H+](C)CCCNc1ccccc1 ZINC000053499236 188300179 /nfs/dbraw/zinc/30/01/79/188300179.db2.gz PFXNAMDHRGLYNH-AWEZNQCLSA-N 1 0 234.387 3.465 10 0 BGAERO Cc1cccc(N(C)CCC[NH2+]C2CCCC2)c1 ZINC000053499585 179115197 /nfs/dbraw/zinc/11/51/97/179115197.db2.gz FPBANSDUJFGNHO-UHFFFAOYSA-N 1 0 246.398 3.354 10 0 BGAERO CCC(C)(C)[NH2+]C[C@@H](C)n1cnc2ccccc21 ZINC000053521434 168299663 /nfs/dbraw/zinc/29/96/63/168299663.db2.gz JDIOMMXLKOMICA-GFCCVEGCSA-N 1 0 245.370 3.376 10 0 BGAERO CCC(C)(C)[NH2+]C[C@H](C)n1cnc2ccccc21 ZINC000053521437 168298929 /nfs/dbraw/zinc/29/89/29/168298929.db2.gz JDIOMMXLKOMICA-LBPRGKRZSA-N 1 0 245.370 3.376 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@@H](C)n1cnc2ccccc21 ZINC000053521490 169369901 /nfs/dbraw/zinc/36/99/01/169369901.db2.gz GOPYAKRSLPISMN-CHWSQXEVSA-N 1 0 245.370 3.376 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@H](C)n1cnc2ccccc21 ZINC000053521497 169370123 /nfs/dbraw/zinc/37/01/23/169370123.db2.gz GOPYAKRSLPISMN-OLZOCXBDSA-N 1 0 245.370 3.376 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](C)n1c(C)nc2ccccc21 ZINC000053523970 171342417 /nfs/dbraw/zinc/34/24/17/171342417.db2.gz STPNMACSCSAHPE-RYUDHWBXSA-N 1 0 245.370 3.294 10 0 BGAERO CCC[NH2+]CCCCn1c(C)nc2ccccc21 ZINC000053524050 169257220 /nfs/dbraw/zinc/25/72/20/169257220.db2.gz AVWOGBBRUBJUBT-UHFFFAOYSA-N 1 0 245.370 3.125 10 0 BGAERO CCC[NH2+]CCCCn1ccc2ccccc21 ZINC000053524355 169257046 /nfs/dbraw/zinc/25/70/46/169257046.db2.gz WFFRPPRVZPXERP-UHFFFAOYSA-N 1 0 230.355 3.421 10 0 BGAERO CC(C)[C@@H](C)[NH2+]CCn1ccc2ccccc21 ZINC000053524534 167381305 /nfs/dbraw/zinc/38/13/05/167381305.db2.gz UKZFDTBBGSYZSO-CYBMUJFWSA-N 1 0 230.355 3.275 10 0 BGAERO CC[NH2+]CCCn1ccc2cccc(CC)c21 ZINC000053524873 170114019 /nfs/dbraw/zinc/11/40/19/170114019.db2.gz YZNRBKKAVROSAI-UHFFFAOYSA-N 1 0 230.355 3.203 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@@H](C)n1ccnc1C(C)C ZINC000053525075 169369340 /nfs/dbraw/zinc/36/93/40/169369340.db2.gz UNNVXJQPLFLUNJ-CHWSQXEVSA-N 1 0 237.391 3.346 10 0 BGAERO CCC[C@H](C)[NH2+]C[C@@H](C)n1ccnc1C(C)C ZINC000053525079 169493459 /nfs/dbraw/zinc/49/34/59/169493459.db2.gz UNNVXJQPLFLUNJ-QWHCGFSZSA-N 1 0 237.391 3.346 10 0 BGAERO CCC[C@@H](C)[NH2+]C[C@H](C)n1ccnc1C(C)C ZINC000053525082 169369528 /nfs/dbraw/zinc/36/95/28/169369528.db2.gz UNNVXJQPLFLUNJ-OLZOCXBDSA-N 1 0 237.391 3.346 10 0 BGAERO CCC[C@H](C)[NH2+]C[C@H](C)n1ccnc1C(C)C ZINC000053525086 169493300 /nfs/dbraw/zinc/49/33/00/169493300.db2.gz UNNVXJQPLFLUNJ-STQMWFEESA-N 1 0 237.391 3.346 10 0 BGAERO Cc1cc2ccccc2n1CCCC[NH2+]C1CC1 ZINC000053525532 178297583 /nfs/dbraw/zinc/29/75/83/178297583.db2.gz VJAWQXSWPPVBMR-UHFFFAOYSA-N 1 0 242.366 3.482 10 0 BGAERO Cc1cc2ccccc2n1CC[NH2+][C@@H](C)C1CC1 ZINC000053525709 178296795 /nfs/dbraw/zinc/29/67/95/178296795.db2.gz WSUSTUMEJSXJGJ-ZDUSSCGKSA-N 1 0 242.366 3.338 10 0 BGAERO Cc1cc2ccccc2n1CC[NH2+][C@H](C)C1CC1 ZINC000053525712 178299055 /nfs/dbraw/zinc/29/90/55/178299055.db2.gz WSUSTUMEJSXJGJ-CYBMUJFWSA-N 1 0 242.366 3.338 10 0 BGAERO CCC[NH2+]CCCn1c(C)cc2ccccc21 ZINC000053525794 169258299 /nfs/dbraw/zinc/25/82/99/169258299.db2.gz CGASKSLCSNZJHE-UHFFFAOYSA-N 1 0 230.355 3.339 10 0 BGAERO CC[NH2+]CCCCn1c(C)cc2ccccc21 ZINC000053525814 170112282 /nfs/dbraw/zinc/11/22/82/170112282.db2.gz HDRVUZLGCZNKLA-UHFFFAOYSA-N 1 0 230.355 3.339 10 0 BGAERO CCCC[NH2+]CCn1ccc2cc(OC)ccc21 ZINC000053527204 168867910 /nfs/dbraw/zinc/86/79/10/168867910.db2.gz QOFIJWGIAAPJPE-UHFFFAOYSA-N 1 0 246.354 3.040 10 0 BGAERO COc1ccc2c(ccn2CCC[NH2+]C(C)C)c1 ZINC000053527425 175222880 /nfs/dbraw/zinc/22/28/80/175222880.db2.gz FJDRAUYHVVMSFG-UHFFFAOYSA-N 1 0 246.354 3.038 10 0 BGAERO CC(C)C[NH2+]CCCn1ccc2ccc(F)cc21 ZINC000053528276 167004665 /nfs/dbraw/zinc/00/46/65/167004665.db2.gz ZTVXWWYCMYFZEJ-UHFFFAOYSA-N 1 0 248.345 3.416 10 0 BGAERO CCCC[NH2+]CCn1ccc2c1cccc2C ZINC000053528647 168867817 /nfs/dbraw/zinc/86/78/17/168867817.db2.gz RNCMFSBVVKVERT-UHFFFAOYSA-N 1 0 230.355 3.339 10 0 BGAERO Cc1cccc2c1ccn2CCC[NH2+]C(C)C ZINC000053528805 179225743 /nfs/dbraw/zinc/22/57/43/179225743.db2.gz OXXMAGGUVXUJRH-UHFFFAOYSA-N 1 0 230.355 3.338 10 0 BGAERO Cc1cccc2c1ccn2CC[NH2+]C(C)(C)C ZINC000053528920 179225832 /nfs/dbraw/zinc/22/58/32/179225832.db2.gz YXZASEMOFXNNNS-UHFFFAOYSA-N 1 0 230.355 3.338 10 0 BGAERO [NH3+]CCCCn1ccc2ccc(Cl)cc21 ZINC000053529019 181379711 /nfs/dbraw/zinc/37/97/11/181379711.db2.gz XCISUAVHYYSBHY-UHFFFAOYSA-N 1 0 222.719 3.034 10 0 BGAERO CCC(CC)[NH2+]C[C@@H](C)n1ncc2ccccc21 ZINC000053536712 168388328 /nfs/dbraw/zinc/38/83/28/168388328.db2.gz WKSMRIXTPIKJTG-GFCCVEGCSA-N 1 0 245.370 3.376 10 0 BGAERO CCC(CC)[NH2+]C[C@H](C)n1ncc2ccccc21 ZINC000053536716 168388267 /nfs/dbraw/zinc/38/82/67/168388267.db2.gz WKSMRIXTPIKJTG-LBPRGKRZSA-N 1 0 245.370 3.376 10 0 BGAERO CCC(CC)[NH2+]C[C@@H](C)n1nc(C)c(C)c1C ZINC000053540181 168388448 /nfs/dbraw/zinc/38/84/48/168388448.db2.gz LQBSPSJPIHKGPA-SNVBAGLBSA-N 1 0 237.391 3.148 10 0 BGAERO CCC(CC)[NH2+]C[C@H](C)n1nc(C)c(C)c1C ZINC000053540185 168388416 /nfs/dbraw/zinc/38/84/16/168388416.db2.gz LQBSPSJPIHKGPA-JTQLQIEISA-N 1 0 237.391 3.148 10 0 BGAERO Cc1nn([C@@H](C)C[NH2+]CCC(C)C)c(C)c1C ZINC000053540219 180391846 /nfs/dbraw/zinc/39/18/46/180391846.db2.gz MIPCEBZRVFPSIK-NSHDSACASA-N 1 0 237.391 3.005 10 0 BGAERO Cc1nn([C@H](C)C[NH2+]CCC(C)C)c(C)c1C ZINC000053540223 180393528 /nfs/dbraw/zinc/39/35/28/180393528.db2.gz MIPCEBZRVFPSIK-LLVKDONJSA-N 1 0 237.391 3.005 10 0 BGAERO Cc1nn([C@@H](C)C[NH2+]C2CCCCC2)c(C)c1C ZINC000053540440 180391795 /nfs/dbraw/zinc/39/17/95/180391795.db2.gz ZUAYXDNOAQGUQQ-NSHDSACASA-N 1 0 249.402 3.292 10 0 BGAERO Cc1nn([C@H](C)C[NH2+]C2CCCCC2)c(C)c1C ZINC000053540443 180393262 /nfs/dbraw/zinc/39/32/62/180393262.db2.gz ZUAYXDNOAQGUQQ-LLVKDONJSA-N 1 0 249.402 3.292 10 0 BGAERO CCc1c(C)nn([C@@H](C)C[NH2+]C2CCCC2)c1C ZINC000053540961 171741200 /nfs/dbraw/zinc/74/12/00/171741200.db2.gz JHXGLZIVADOJPJ-NSHDSACASA-N 1 0 249.402 3.156 10 0 BGAERO CCC[NH2+]C[C@@H](C)n1ccnc1-c1cccs1 ZINC000053542411 169262878 /nfs/dbraw/zinc/26/28/78/169262878.db2.gz KJCXNJVZMVCBQJ-LLVKDONJSA-N 1 0 249.383 3.172 10 0 BGAERO CCC[NH2+]C[C@H](C)n1ccnc1-c1cccs1 ZINC000053542412 169264036 /nfs/dbraw/zinc/26/40/36/169264036.db2.gz KJCXNJVZMVCBQJ-NSHDSACASA-N 1 0 249.383 3.172 10 0 BGAERO CCC(CC)[NH2+]C[C@H](C)OCc1ccccc1 ZINC000053543649 168388459 /nfs/dbraw/zinc/38/84/59/168388459.db2.gz QNICSYSKOUDUOH-ZDUSSCGKSA-N 1 0 235.371 3.370 10 0 BGAERO CC(C)CC[NH2+]C[C@H](C)OCc1ccccc1 ZINC000053543659 166860116 /nfs/dbraw/zinc/86/01/16/166860116.db2.gz YBTCJBNEIDMSLQ-AWEZNQCLSA-N 1 0 235.371 3.227 10 0 BGAERO C[C@H](OCC[NH2+][C@@H](C)C1CC1)c1ccccc1 ZINC000053554670 177021238 /nfs/dbraw/zinc/02/12/38/177021238.db2.gz YOQBIFSCWAAIID-STQMWFEESA-N 1 0 233.355 3.152 10 0 BGAERO C[C@@H]([NH2+]CCO[C@@H](C)c1ccccc1)C1CC1 ZINC000053554677 177020817 /nfs/dbraw/zinc/02/08/17/177020817.db2.gz YOQBIFSCWAAIID-OLZOCXBDSA-N 1 0 233.355 3.152 10 0 BGAERO C[C@@H](OCC[NH2+][C@H](C)C1CC1)c1ccccc1 ZINC000053554680 176002644 /nfs/dbraw/zinc/00/26/44/176002644.db2.gz YOQBIFSCWAAIID-CHWSQXEVSA-N 1 0 233.355 3.152 10 0 BGAERO C[C@H](OCC[NH2+]C1CCCC1)c1ccccc1 ZINC000053554787 177021018 /nfs/dbraw/zinc/02/10/18/177021018.db2.gz KRBUFSOMIRKKBL-ZDUSSCGKSA-N 1 0 233.355 3.296 10 0 BGAERO C[C@@H](OCC[NH2+]C1CCCC1)c1ccccc1 ZINC000053554791 176002282 /nfs/dbraw/zinc/00/22/82/176002282.db2.gz KRBUFSOMIRKKBL-CYBMUJFWSA-N 1 0 233.355 3.296 10 0 BGAERO CC(C)C[C@@H](C)OCC[NH2+]Cc1ccccc1 ZINC000053558348 357044452 /nfs/dbraw/zinc/04/44/52/357044452.db2.gz QDVHQRULDCCGSK-CQSZACIVSA-N 1 0 235.371 3.227 10 0 BGAERO CC(C)C[C@H](C)OCC[NH2+]Cc1ccccc1 ZINC000053558352 357044084 /nfs/dbraw/zinc/04/40/84/357044084.db2.gz QDVHQRULDCCGSK-AWEZNQCLSA-N 1 0 235.371 3.227 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](C)OC[C@@H]1CC=CC[C@@H]1C ZINC000053561150 171341575 /nfs/dbraw/zinc/34/15/75/171341575.db2.gz ZCMMUNYXKDTIDX-XQLPTFJDSA-N 1 0 239.403 3.382 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](C)OC[C@@H]1CC=CC[C@@H]1C ZINC000053561157 171342425 /nfs/dbraw/zinc/34/24/25/171342425.db2.gz ZCMMUNYXKDTIDX-AJNGGQMLSA-N 1 0 239.403 3.382 10 0 BGAERO CCC(C)(C)[NH2+]CCOc1c(C)cccc1C ZINC000053564305 168299704 /nfs/dbraw/zinc/29/97/04/168299704.db2.gz CFMFFNWNHRAJJA-UHFFFAOYSA-N 1 0 235.371 3.460 10 0 BGAERO CC[C@@H](C)[NH2+]C[C@@H](C)Oc1ccc(C)cc1C ZINC000053564587 170752996 /nfs/dbraw/zinc/75/29/96/170752996.db2.gz HVAAQENXZNYDKP-ZIAGYGMSSA-N 1 0 235.371 3.459 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](C)Oc1ccc(C)cc1C ZINC000053564589 171340989 /nfs/dbraw/zinc/34/09/89/171340989.db2.gz HVAAQENXZNYDKP-UONOGXRCSA-N 1 0 235.371 3.459 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](C)Oc1ccc(C)cc1C ZINC000053564592 171342075 /nfs/dbraw/zinc/34/20/75/171342075.db2.gz HVAAQENXZNYDKP-KBPBESRZSA-N 1 0 235.371 3.459 10 0 BGAERO CCCC[NH2+]C[C@@H](C)Oc1ccc(C)cc1C ZINC000053564605 168868005 /nfs/dbraw/zinc/86/80/05/168868005.db2.gz DYQKLVOKRDZOEE-CQSZACIVSA-N 1 0 235.371 3.460 10 0 BGAERO CCCC[NH2+]C[C@H](C)Oc1ccc(C)cc1C ZINC000053564607 168868434 /nfs/dbraw/zinc/86/84/34/168868434.db2.gz DYQKLVOKRDZOEE-AWEZNQCLSA-N 1 0 235.371 3.460 10 0 BGAERO Cc1cccc(OCC[NH2+]CCC(C)C)c1C ZINC000053565386 179168479 /nfs/dbraw/zinc/16/84/79/179168479.db2.gz REGQZRNBMIZAIC-UHFFFAOYSA-N 1 0 235.371 3.318 10 0 BGAERO CC(C)CC[NH2+]C[C@@H](C)Oc1ccccc1F ZINC000053566078 166859596 /nfs/dbraw/zinc/85/95/96/166859596.db2.gz KTNZJYUFTGXUHI-GFCCVEGCSA-N 1 0 239.334 3.229 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](C)Oc1ccc(C)c(C)c1 ZINC000053566500 171341357 /nfs/dbraw/zinc/34/13/57/171341357.db2.gz QYPJQUQUKCRABZ-UONOGXRCSA-N 1 0 235.371 3.459 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](C)Oc1ccc(C)c(C)c1 ZINC000053566502 171342142 /nfs/dbraw/zinc/34/21/42/171342142.db2.gz QYPJQUQUKCRABZ-KBPBESRZSA-N 1 0 235.371 3.459 10 0 BGAERO CCC(CC)[NH2+]CCOc1ccc(C)c(C)c1 ZINC000053566524 168388576 /nfs/dbraw/zinc/38/85/76/168388576.db2.gz ZTCORSQOELYHRD-UHFFFAOYSA-N 1 0 235.371 3.460 10 0 BGAERO Cc1cccc(O[C@@H](C)C[NH2+]CCC(C)C)c1 ZINC000053566649 179173907 /nfs/dbraw/zinc/17/39/07/179173907.db2.gz HZUFDIZEYBFCJM-AWEZNQCLSA-N 1 0 235.371 3.398 10 0 BGAERO Cc1cccc(O[C@H](C)C[NH2+]CCC(C)C)c1 ZINC000053566650 179175010 /nfs/dbraw/zinc/17/50/10/179175010.db2.gz HZUFDIZEYBFCJM-CQSZACIVSA-N 1 0 235.371 3.398 10 0 BGAERO Cc1ccccc1O[C@@H](C)C[NH2+]CCC(C)C ZINC000053566696 179313151 /nfs/dbraw/zinc/31/31/51/179313151.db2.gz XUUPZDXKEQNYIT-AWEZNQCLSA-N 1 0 235.371 3.398 10 0 BGAERO Cc1ccccc1O[C@H](C)C[NH2+]CCC(C)C ZINC000053566697 179314126 /nfs/dbraw/zinc/31/41/26/179314126.db2.gz XUUPZDXKEQNYIT-CQSZACIVSA-N 1 0 235.371 3.398 10 0 BGAERO CC(C)CC[NH2+]C[C@@H](C)Oc1ccc(F)cc1 ZINC000053566753 322934009 /nfs/dbraw/zinc/93/40/09/322934009.db2.gz CENRVVMIHQHMHY-GFCCVEGCSA-N 1 0 239.334 3.229 10 0 BGAERO c1ccc(CCOCC[NH2+]C2CCCCC2)cc1 ZINC000053569039 183395056 /nfs/dbraw/zinc/39/50/56/183395056.db2.gz SFGNMLULIMTXON-UHFFFAOYSA-N 1 0 247.382 3.168 10 0 BGAERO C[C@@H]1C[C@H](OCC[NH2+]CC2CC2)CC(C)(C)C1 ZINC000053584233 176429695 /nfs/dbraw/zinc/42/96/95/176429695.db2.gz GXPCCZOMXVVPMB-OCCSQVGLSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@H]1C[C@H](OCC[NH2+]CC2CC2)CC(C)(C)C1 ZINC000053584235 177374733 /nfs/dbraw/zinc/37/47/33/177374733.db2.gz GXPCCZOMXVVPMB-JSGCOSHPSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@@H]1C[C@@H](OCC[NH2+]CC2CC2)CC(C)(C)C1 ZINC000053584236 176383464 /nfs/dbraw/zinc/38/34/64/176383464.db2.gz GXPCCZOMXVVPMB-TZMCWYRMSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@H]1C[C@@H](OCC[NH2+]CC2CC2)CC(C)(C)C1 ZINC000053584238 177338416 /nfs/dbraw/zinc/33/84/16/177338416.db2.gz GXPCCZOMXVVPMB-GXTWGEPZSA-N 1 0 239.403 3.217 10 0 BGAERO CCC(CC)[NH2+]CCOc1ccc2c(c1)CCC2 ZINC000053585853 168388108 /nfs/dbraw/zinc/38/81/08/168388108.db2.gz BUCFYRDYKUREAA-UHFFFAOYSA-N 1 0 247.382 3.332 10 0 BGAERO CC[C@H](C)[NH2+]CCOc1c(C)cc(C)cc1C ZINC000053585980 171340268 /nfs/dbraw/zinc/34/02/68/171340268.db2.gz WZPVLARYYBTLDB-AWEZNQCLSA-N 1 0 235.371 3.379 10 0 BGAERO Cc1cc(C)c(OCC[NH2+][C@H](C)C2CC2)c(C)c1 ZINC000053586017 177868320 /nfs/dbraw/zinc/86/83/20/177868320.db2.gz UIZRBSZBSVMRRW-CQSZACIVSA-N 1 0 247.382 3.379 10 0 BGAERO Cc1cc(C)c(C)c(OCC[NH2+][C@@H](C)C2CC2)c1 ZINC000053586091 177853560 /nfs/dbraw/zinc/85/35/60/177853560.db2.gz IXLCGLWICWPDQR-AWEZNQCLSA-N 1 0 247.382 3.379 10 0 BGAERO Cc1cc(OCC[NH2+]C2CC2)cc(C(C)C)c1 ZINC000053587332 178211551 /nfs/dbraw/zinc/21/15/51/178211551.db2.gz PACRKAADQKGHHA-UHFFFAOYSA-N 1 0 233.355 3.249 10 0 BGAERO CC[NH2+]CCCOc1cc(C)cc(C(C)C)c1 ZINC000053587336 170112997 /nfs/dbraw/zinc/11/29/97/170112997.db2.gz JWVKXLLLJQEKSD-UHFFFAOYSA-N 1 0 235.371 3.497 10 0 BGAERO CCSCC[NH2+][C@@H](C)c1cccs1 ZINC000053616478 385346818 /nfs/dbraw/zinc/34/68/18/385346818.db2.gz JKAHHVOJVBTURZ-VIFPVBQESA-N 1 0 215.387 3.152 10 0 BGAERO CCSCC[NH2+][C@H](C)c1cccs1 ZINC000053616481 385345682 /nfs/dbraw/zinc/34/56/82/385345682.db2.gz JKAHHVOJVBTURZ-SECBINFHSA-N 1 0 215.387 3.152 10 0 BGAERO CCCCSCC[NH2+]Cc1ccccc1 ZINC000053622536 357091366 /nfs/dbraw/zinc/09/13/66/357091366.db2.gz XMTZHOGEGDCHRD-UHFFFAOYSA-N 1 0 223.385 3.310 10 0 BGAERO CC[C@H](C)CN1CCCC[C@@H]1C[NH2+]C(C)(C)C ZINC000053652893 171278995 /nfs/dbraw/zinc/27/89/95/171278995.db2.gz PUWNOBWEDNIHHA-UONOGXRCSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+]Cc1nnc(C2CCCCCC2)o1 ZINC000053716370 169268995 /nfs/dbraw/zinc/26/89/95/169268995.db2.gz YRINNVBPSZPKCL-UHFFFAOYSA-N 1 0 237.347 3.007 10 0 BGAERO C[NH2+]CC(C)(C)c1c(Cl)cccc1Cl ZINC000053737935 357163357 /nfs/dbraw/zinc/16/33/57/357163357.db2.gz SWJCYTYODAVLIE-UHFFFAOYSA-N 1 0 232.154 3.490 10 0 BGAERO CC[NH2+]CC1(c2cc(C)ccc2OC)CCCC1 ZINC000053738443 170110191 /nfs/dbraw/zinc/11/01/91/170110191.db2.gz QJQJHUYTOYLRGV-UHFFFAOYSA-N 1 0 247.382 3.425 10 0 BGAERO COc1ccc(C)cc1C1(C[NH2+]C(C)C)CCC1 ZINC000053738455 175074149 /nfs/dbraw/zinc/07/41/49/175074149.db2.gz OIGLUMYKUQJHQV-UHFFFAOYSA-N 1 0 247.382 3.423 10 0 BGAERO C[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000053738889 173338192 /nfs/dbraw/zinc/33/81/92/173338192.db2.gz SREZBRLAPGSZOA-UHFFFAOYSA-N 1 0 243.272 3.347 10 0 BGAERO C[NH2+]CC1(c2cccs2)CCCCC1 ZINC000053738933 357163125 /nfs/dbraw/zinc/16/31/25/357163125.db2.gz JELQRDRHCMQEDJ-UHFFFAOYSA-N 1 0 209.358 3.169 10 0 BGAERO C[NH2+]CC1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000053739075 357163287 /nfs/dbraw/zinc/16/32/87/357163287.db2.gz RXJYEXOFSHXMJR-UHFFFAOYSA-N 1 0 230.138 3.244 10 0 BGAERO C[NH2+]CC1(c2ccc(C)c(OC)c2)CCCCC1 ZINC000053739113 173338119 /nfs/dbraw/zinc/33/81/19/173338119.db2.gz ZWNMQXYLRSIIGO-UHFFFAOYSA-N 1 0 247.382 3.425 10 0 BGAERO CCC(CC)(C[NH2+]C)c1ccc(C)c(OC)c1 ZINC000053739122 168325633 /nfs/dbraw/zinc/32/56/33/168325633.db2.gz OTPAETYDOWCMHD-UHFFFAOYSA-N 1 0 235.371 3.281 10 0 BGAERO CC[NH2+]CC1(c2ccc(C)c(OC)c2)CCC1 ZINC000053739127 170111188 /nfs/dbraw/zinc/11/11/88/170111188.db2.gz ILTLNPZUFMPTOM-UHFFFAOYSA-N 1 0 233.355 3.035 10 0 BGAERO CCC[NH2+]CC1(c2ccc(C)c(OC)c2)CCC1 ZINC000053739133 169257482 /nfs/dbraw/zinc/25/74/82/169257482.db2.gz NRNWFUHBPJOTRJ-UHFFFAOYSA-N 1 0 247.382 3.425 10 0 BGAERO Cc1cc(C)cc(C2(C[NH2+]C3CC3)CC2)c1 ZINC000053739276 384802914 /nfs/dbraw/zinc/80/29/14/384802914.db2.gz ICPWFUNPLFGNFZ-UHFFFAOYSA-N 1 0 215.340 3.087 10 0 BGAERO COc1cccc(C2(C[NH2+]C(C)C)CCC2)c1 ZINC000053739549 175248034 /nfs/dbraw/zinc/24/80/34/175248034.db2.gz XKVSICMVBRITNX-UHFFFAOYSA-N 1 0 233.355 3.115 10 0 BGAERO COc1cccc(C2(C[NH2+]C(C)(C)C)CC2)c1 ZINC000053739568 175248411 /nfs/dbraw/zinc/24/84/11/175248411.db2.gz IXNXNUVVGHPWON-UHFFFAOYSA-N 1 0 233.355 3.115 10 0 BGAERO C[NH2+]CC1(c2cc(F)cc(F)c2)CCCCC1 ZINC000053749092 173338053 /nfs/dbraw/zinc/33/80/53/173338053.db2.gz GARUTVRVWUABJH-UHFFFAOYSA-N 1 0 239.309 3.386 10 0 BGAERO C[NH2+]Cc1csc(Cc2cc(C)cc(C)c2)n1 ZINC000053749804 173392858 /nfs/dbraw/zinc/39/28/58/173392858.db2.gz LMGUEYNWUBOZMP-UHFFFAOYSA-N 1 0 246.379 3.070 10 0 BGAERO C[C@@H]1CCC[C@]([NH3+])(Cc2cccs2)C1 ZINC000053752043 176152419 /nfs/dbraw/zinc/15/24/19/176152419.db2.gz GDBLWJVKEYNLAE-ZYHUDNBSSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@H]1CCC[C@]([NH3+])(Cc2cccs2)C1 ZINC000053752047 177143647 /nfs/dbraw/zinc/14/36/47/177143647.db2.gz GDBLWJVKEYNLAE-CMPLNLGQSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@@H]1CCC[C@@]([NH3+])(Cc2cccs2)C1 ZINC000053752051 176134062 /nfs/dbraw/zinc/13/40/62/176134062.db2.gz GDBLWJVKEYNLAE-PWSUYJOCSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@H]1CCC[C@@]([NH3+])(Cc2cccs2)C1 ZINC000053752053 177127501 /nfs/dbraw/zinc/12/75/01/177127501.db2.gz GDBLWJVKEYNLAE-JQWIXIFHSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@@H]1CCC[C@]([NH3+])(Cc2ccsc2)C1 ZINC000053752159 176152501 /nfs/dbraw/zinc/15/25/01/176152501.db2.gz POPIXFGXTZOZFK-ZYHUDNBSSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@H]1CCC[C@]([NH3+])(Cc2ccsc2)C1 ZINC000053752160 177143322 /nfs/dbraw/zinc/14/33/22/177143322.db2.gz POPIXFGXTZOZFK-CMPLNLGQSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@@H]1CCC[C@@]([NH3+])(Cc2ccsc2)C1 ZINC000053752162 176134292 /nfs/dbraw/zinc/13/42/92/176134292.db2.gz POPIXFGXTZOZFK-PWSUYJOCSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@H]1CCC[C@@]([NH3+])(Cc2ccsc2)C1 ZINC000053752165 177128003 /nfs/dbraw/zinc/12/80/03/177128003.db2.gz POPIXFGXTZOZFK-JQWIXIFHSA-N 1 0 209.358 3.198 10 0 BGAERO COc1cccc(CC2([NH3+])CCC(C)CC2)c1 ZINC000053752521 175250634 /nfs/dbraw/zinc/25/06/34/175250634.db2.gz SEYZJIWPFGYDRZ-UHFFFAOYSA-N 1 0 233.355 3.145 10 0 BGAERO CC1CCC([NH3+])(Cc2cccs2)CC1 ZINC000053752523 168159128 /nfs/dbraw/zinc/15/91/28/168159128.db2.gz ZGKYQPWDMNACGG-UHFFFAOYSA-N 1 0 209.358 3.198 10 0 BGAERO CC1CCC([NH3+])(Cc2ccsc2)CC1 ZINC000053752554 168160046 /nfs/dbraw/zinc/16/00/46/168160046.db2.gz PMTWXZGFAGAPOP-UHFFFAOYSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]([NH3+])(CC2CCOCC2)C1 ZINC000053752691 176052244 /nfs/dbraw/zinc/05/22/44/176052244.db2.gz QWEFDQDNAKMLNJ-IUODEOHRSA-N 1 0 239.403 3.347 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]([NH3+])(CC2CCOCC2)C1 ZINC000053752694 177063656 /nfs/dbraw/zinc/06/36/56/177063656.db2.gz QWEFDQDNAKMLNJ-SWLSCSKDSA-N 1 0 239.403 3.347 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]([NH3+])(CC2CCOCC2)C1 ZINC000053752697 176052379 /nfs/dbraw/zinc/05/23/79/176052379.db2.gz QWEFDQDNAKMLNJ-DOMZBBRYSA-N 1 0 239.403 3.347 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]([NH3+])(CC2CCOCC2)C1 ZINC000053752700 177063766 /nfs/dbraw/zinc/06/37/66/177063766.db2.gz QWEFDQDNAKMLNJ-WFASDCNBSA-N 1 0 239.403 3.347 10 0 BGAERO [NH3+]C1(Cc2ccsc2)CCCCCC1 ZINC000053752815 357169487 /nfs/dbraw/zinc/16/94/87/357169487.db2.gz GCZMJEVRXJDEMC-UHFFFAOYSA-N 1 0 209.358 3.342 10 0 BGAERO [NH3+]C1(Cc2ccc(Cl)s2)CCCC1 ZINC000053752897 181332352 /nfs/dbraw/zinc/33/23/52/181332352.db2.gz SSXABIAJZRWZJI-UHFFFAOYSA-N 1 0 215.749 3.216 10 0 BGAERO CCc1ccc(CC2([NH3+])CCCC2)s1 ZINC000053752902 357169574 /nfs/dbraw/zinc/16/95/74/357169574.db2.gz YBHUWKJPQPWTTL-UHFFFAOYSA-N 1 0 209.358 3.125 10 0 BGAERO CC(C)(C)C1CCC([NH3+])(C[C@H]2CCCO2)CC1 ZINC000053753166 166544521 /nfs/dbraw/zinc/54/45/21/166544521.db2.gz MJMMMIDASHAZJS-JVWICGRDSA-N 1 0 239.403 3.489 10 0 BGAERO CCCCCCC1([NH3+])Cc2ccccc2C1 ZINC000053753875 168648270 /nfs/dbraw/zinc/64/82/70/168648270.db2.gz MJYMLQRCJUOJCG-UHFFFAOYSA-N 1 0 217.356 3.453 10 0 BGAERO C[C@@]([NH3+])(C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000053756246 176512051 /nfs/dbraw/zinc/51/20/51/176512051.db2.gz SKIXCPNYXPVFOI-CHWSQXEVSA-N 1 0 239.746 3.083 10 0 BGAERO C[C@@]([NH3+])(C[C@H]1CCCO1)c1ccccc1Cl ZINC000053756638 176511713 /nfs/dbraw/zinc/51/17/13/176511713.db2.gz KZGIDNXXDWTLCC-ZWNOBZJWSA-N 1 0 239.746 3.083 10 0 BGAERO COc1cccc([C@](C)([NH3+])CC2CCCC2)c1 ZINC000053757624 175296557 /nfs/dbraw/zinc/29/65/57/175296557.db2.gz WBOZFKNXBZUXJX-OAHLLOKOSA-N 1 0 233.355 3.449 10 0 BGAERO COc1cccc([C@@](C)([NH3+])CC2CCCC2)c1 ZINC000053757626 175291988 /nfs/dbraw/zinc/29/19/88/175291988.db2.gz WBOZFKNXBZUXJX-HNNXBMFYSA-N 1 0 233.355 3.449 10 0 BGAERO CC(C)([NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000053757964 384806596 /nfs/dbraw/zinc/80/65/96/384806596.db2.gz BIBNTTIOMUCFKT-UHFFFAOYSA-N 1 0 218.127 3.273 10 0 BGAERO CC[C@](C)([NH3+])Cc1ccc(F)cc1Cl ZINC000053758088 357170059 /nfs/dbraw/zinc/17/00/59/357170059.db2.gz ZMVBDNGKVDHQCQ-NSHDSACASA-N 1 0 215.699 3.149 10 0 BGAERO CC[C@@](C)([NH3+])Cc1ccc(F)cc1Cl ZINC000053758091 357170087 /nfs/dbraw/zinc/17/00/87/357170087.db2.gz ZMVBDNGKVDHQCQ-LLVKDONJSA-N 1 0 215.699 3.149 10 0 BGAERO CC[C@](C)([NH3+])Cc1ccc(Br)s1 ZINC000053758105 171695945 /nfs/dbraw/zinc/69/59/45/171695945.db2.gz OGRGGICZXJPWII-VIFPVBQESA-N 1 0 248.189 3.181 10 0 BGAERO CC[C@@](C)([NH3+])Cc1ccc(Br)s1 ZINC000053758106 171170834 /nfs/dbraw/zinc/17/08/34/171170834.db2.gz OGRGGICZXJPWII-SECBINFHSA-N 1 0 248.189 3.181 10 0 BGAERO CC[C@](C)([NH3+])Cc1ccc(Cl)s1 ZINC000053758110 171695379 /nfs/dbraw/zinc/69/53/79/171695379.db2.gz FARFTINYJQVDTM-VIFPVBQESA-N 1 0 203.738 3.071 10 0 BGAERO CC[C@@](C)([NH3+])Cc1ccc(Cl)s1 ZINC000053758113 171171616 /nfs/dbraw/zinc/17/16/16/171171616.db2.gz FARFTINYJQVDTM-SECBINFHSA-N 1 0 203.738 3.071 10 0 BGAERO CC[C@](C)([NH3+])Cc1cc(Br)cs1 ZINC000053758256 171695465 /nfs/dbraw/zinc/69/54/65/171695465.db2.gz JYYIWYJQVIPXOH-VIFPVBQESA-N 1 0 248.189 3.181 10 0 BGAERO CC[C@@](C)([NH3+])Cc1cc(Br)cs1 ZINC000053758258 171170757 /nfs/dbraw/zinc/17/07/57/171170757.db2.gz JYYIWYJQVIPXOH-SECBINFHSA-N 1 0 248.189 3.181 10 0 BGAERO CC[C@](C)([NH3+])Cc1sccc1Br ZINC000053758273 387498658 /nfs/dbraw/zinc/49/86/58/387498658.db2.gz XROPGVIKAMLODS-VIFPVBQESA-N 1 0 248.189 3.181 10 0 BGAERO CC[C@@](C)([NH3+])Cc1sccc1Br ZINC000053758275 171170821 /nfs/dbraw/zinc/17/08/21/171170821.db2.gz XROPGVIKAMLODS-SECBINFHSA-N 1 0 248.189 3.181 10 0 BGAERO COc1ccc(Cl)cc1C[C@@](C)([NH3+])C(C)C ZINC000053758571 175121261 /nfs/dbraw/zinc/12/12/61/175121261.db2.gz BBUXJUHNSKFWGH-CYBMUJFWSA-N 1 0 241.762 3.265 10 0 BGAERO COc1ccc(Cl)cc1C[C@](C)([NH3+])C(C)C ZINC000053758574 175121330 /nfs/dbraw/zinc/12/13/30/175121330.db2.gz BBUXJUHNSKFWGH-ZDUSSCGKSA-N 1 0 241.762 3.265 10 0 BGAERO CC[C@@]([NH3+])(Cc1ccc(OC)c(F)c1)C(C)C ZINC000053760478 171193054 /nfs/dbraw/zinc/19/30/54/171193054.db2.gz SBQYKUDSZSAHJN-CQSZACIVSA-N 1 0 239.334 3.140 10 0 BGAERO Cc1ccc([C@@](C)([NH3+])CC2CCOCC2)cc1C ZINC000053761517 178879295 /nfs/dbraw/zinc/87/92/95/178879295.db2.gz DOVNOYGZGQOPJW-INIZCTEOSA-N 1 0 247.382 3.294 10 0 BGAERO [NH3+][C@@H](CCOc1ccccc1)CC1CCCC1 ZINC000053788429 181544422 /nfs/dbraw/zinc/54/44/22/181544422.db2.gz LXCJFWLWGJPWNY-AWEZNQCLSA-N 1 0 233.355 3.363 10 0 BGAERO CC[C@H](C)C[C@@H](CCOc1ccccc1)[NH2+]C ZINC000053788497 171296971 /nfs/dbraw/zinc/29/69/71/171296971.db2.gz OGBCSVLGBVTYQF-UONOGXRCSA-N 1 0 235.371 3.480 10 0 BGAERO CC[C@H](C)C[C@H](CCOc1ccccc1)[NH2+]C ZINC000053788499 171299120 /nfs/dbraw/zinc/29/91/20/171299120.db2.gz OGBCSVLGBVTYQF-KBPBESRZSA-N 1 0 235.371 3.480 10 0 BGAERO CCCC[C@H]([NH3+])c1cccc(OCC)c1 ZINC000053788837 357178434 /nfs/dbraw/zinc/17/84/34/357178434.db2.gz FNOADLNWVBDSTO-ZDUSSCGKSA-N 1 0 207.317 3.275 10 0 BGAERO CCCC[C@@H]([NH3+])c1cccc(OCC)c1 ZINC000053788838 357178466 /nfs/dbraw/zinc/17/84/66/357178466.db2.gz FNOADLNWVBDSTO-CYBMUJFWSA-N 1 0 207.317 3.275 10 0 BGAERO CC[C@H](C)C[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000053789100 171298787 /nfs/dbraw/zinc/29/87/87/171298787.db2.gz AESLJHSKANLTAN-JQWIXIFHSA-N 1 0 237.343 3.140 10 0 BGAERO CC[C@H](C)C[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000053789102 171296913 /nfs/dbraw/zinc/29/69/13/171296913.db2.gz AESLJHSKANLTAN-CMPLNLGQSA-N 1 0 237.343 3.140 10 0 BGAERO [NH3+][C@@H](CC1CCOCC1)c1ccc(Cl)cc1 ZINC000053790198 181541006 /nfs/dbraw/zinc/54/10/06/181541006.db2.gz PUSBJCVIYFPUGZ-ZDUSSCGKSA-N 1 0 239.746 3.157 10 0 BGAERO CCOCC[C@H]([NH2+]C)c1ccc(C(C)C)cc1 ZINC000053816604 170426854 /nfs/dbraw/zinc/42/68/54/170426854.db2.gz LBWQGNZNUXDVJC-HNNXBMFYSA-N 1 0 235.371 3.497 10 0 BGAERO [NH3+][C@@H](CC1CCCCC1)c1cccnc1 ZINC000053817083 181541236 /nfs/dbraw/zinc/54/12/36/181541236.db2.gz VDEIJGMKCQNYNF-ZDUSSCGKSA-N 1 0 204.317 3.052 10 0 BGAERO CC(C)c1ccc(C[C@H]([NH3+])c2cccnc2)cc1 ZINC000053817096 167601673 /nfs/dbraw/zinc/60/16/73/167601673.db2.gz RSTDSVVNAKSPNW-INIZCTEOSA-N 1 0 240.350 3.448 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)s1)c1ccncc1 ZINC000053817160 181553607 /nfs/dbraw/zinc/55/36/07/181553607.db2.gz MEJPDUMCCBWGLU-JTQLQIEISA-N 1 0 238.743 3.039 10 0 BGAERO [NH3+][C@@H](CC1CCCCC1)c1ccncc1 ZINC000053817163 181540323 /nfs/dbraw/zinc/54/03/23/181540323.db2.gz RTRUIWDAHMEZCO-ZDUSSCGKSA-N 1 0 204.317 3.052 10 0 BGAERO CC(C)[C@H]([NH3+])Cc1ccc(Br)s1 ZINC000053818022 357389669 /nfs/dbraw/zinc/38/96/69/357389669.db2.gz QOYKUEYREWKQLB-MRVPVSSYSA-N 1 0 248.189 3.036 10 0 BGAERO CC(C)[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000053818024 387917883 /nfs/dbraw/zinc/91/78/83/387917883.db2.gz QOYKUEYREWKQLB-QMMMGPOBSA-N 1 0 248.189 3.036 10 0 BGAERO CC(C)[C@H]([NH3+])Cc1cc(Br)cs1 ZINC000053818083 188300412 /nfs/dbraw/zinc/30/04/12/188300412.db2.gz NKFWSMWFWZQICN-SECBINFHSA-N 1 0 248.189 3.036 10 0 BGAERO CC(C)[C@@H]([NH3+])Cc1cc(Br)cs1 ZINC000053818084 167422879 /nfs/dbraw/zinc/42/28/79/167422879.db2.gz NKFWSMWFWZQICN-VIFPVBQESA-N 1 0 248.189 3.036 10 0 BGAERO CC(C)[C@H]([NH3+])Cc1sccc1Br ZINC000053818087 187272366 /nfs/dbraw/zinc/27/23/66/187272366.db2.gz FEQNQVKUNMVRJE-MRVPVSSYSA-N 1 0 248.189 3.036 10 0 BGAERO CC(C)[C@@H]([NH3+])Cc1sccc1Br ZINC000053818088 387916990 /nfs/dbraw/zinc/91/69/90/387916990.db2.gz FEQNQVKUNMVRJE-QMMMGPOBSA-N 1 0 248.189 3.036 10 0 BGAERO CCC[C@H]([NH3+])Cc1ccc(Br)s1 ZINC000053818866 169504101 /nfs/dbraw/zinc/50/41/01/169504101.db2.gz QADXJZQZFMBXRK-ZETCQYMHSA-N 1 0 248.189 3.181 10 0 BGAERO CCC[C@@H]([NH3+])Cc1ccc(Br)s1 ZINC000053818868 169393351 /nfs/dbraw/zinc/39/33/51/169393351.db2.gz QADXJZQZFMBXRK-SSDOTTSWSA-N 1 0 248.189 3.181 10 0 BGAERO CCC[C@H]([NH3+])Cc1ccc(Cl)s1 ZINC000053818871 169504094 /nfs/dbraw/zinc/50/40/94/169504094.db2.gz SQKBAFLBTFAXSI-ZETCQYMHSA-N 1 0 203.738 3.071 10 0 BGAERO CCC[C@@H]([NH3+])Cc1ccc(Cl)s1 ZINC000053818873 169393286 /nfs/dbraw/zinc/39/32/86/169393286.db2.gz SQKBAFLBTFAXSI-SSDOTTSWSA-N 1 0 203.738 3.071 10 0 BGAERO CC(C)(C)[C@H]([NH3+])Cc1ccc(Cl)s1 ZINC000053819235 387922270 /nfs/dbraw/zinc/92/22/70/387922270.db2.gz NLSCDHXRSMGPHS-MRVPVSSYSA-N 1 0 217.765 3.317 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])Cc1ccc(Cl)s1 ZINC000053819236 166696126 /nfs/dbraw/zinc/69/61/26/166696126.db2.gz NLSCDHXRSMGPHS-QMMMGPOBSA-N 1 0 217.765 3.317 10 0 BGAERO CC[NH2+][C@@H](CC1CCOCC1)c1ccc(C)cc1 ZINC000053820811 170144070 /nfs/dbraw/zinc/14/40/70/170144070.db2.gz YEVGMYSVGXWVRO-INIZCTEOSA-N 1 0 247.382 3.462 10 0 BGAERO CC[NH2+][C@H](CC1CCOCC1)c1ccc(C)cc1 ZINC000053820812 170161342 /nfs/dbraw/zinc/16/13/42/170161342.db2.gz YEVGMYSVGXWVRO-MRXNPFEDSA-N 1 0 247.382 3.462 10 0 BGAERO CCC[NH2+][C@@H](CCCOC)c1ccc(C)cc1 ZINC000053820835 169278137 /nfs/dbraw/zinc/27/81/37/169278137.db2.gz AXVSUXRDVGPAOG-HNNXBMFYSA-N 1 0 235.371 3.462 10 0 BGAERO CCC[NH2+][C@H](CCCOC)c1ccc(C)cc1 ZINC000053820836 169289035 /nfs/dbraw/zinc/28/90/35/169289035.db2.gz AXVSUXRDVGPAOG-OAHLLOKOSA-N 1 0 235.371 3.462 10 0 BGAERO CCC[NH2+][C@@H](Cc1cccs1)c1ccccn1 ZINC000053821774 169279608 /nfs/dbraw/zinc/27/96/08/169279608.db2.gz YYFVCBMQBIDEBJ-AWEZNQCLSA-N 1 0 246.379 3.427 10 0 BGAERO CCC[NH2+][C@H](Cc1cccs1)c1ccccn1 ZINC000053821775 169289908 /nfs/dbraw/zinc/28/99/08/169289908.db2.gz YYFVCBMQBIDEBJ-CQSZACIVSA-N 1 0 246.379 3.427 10 0 BGAERO C[NH2+][C@H](CC1CCCCC1)c1ccncc1 ZINC000053822260 173451947 /nfs/dbraw/zinc/45/19/47/173451947.db2.gz NRKGDEIJEBKUAL-CQSZACIVSA-N 1 0 218.344 3.313 10 0 BGAERO CC[NH2+][C@@H](CCC(C)C)c1ccncc1 ZINC000053822402 170144722 /nfs/dbraw/zinc/14/47/22/170144722.db2.gz NOHPFVRZIQDUMY-ZDUSSCGKSA-N 1 0 206.333 3.168 10 0 BGAERO CC[NH2+][C@H](CCC(C)C)c1ccncc1 ZINC000053822404 170161334 /nfs/dbraw/zinc/16/13/34/170161334.db2.gz NOHPFVRZIQDUMY-CYBMUJFWSA-N 1 0 206.333 3.168 10 0 BGAERO CCC[NH2+][C@@H](CCC(C)C)C[C@@H]1CCCO1 ZINC000053824474 169278332 /nfs/dbraw/zinc/27/83/32/169278332.db2.gz ZSVQEWCXIAXCHZ-KBPBESRZSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[NH2+][C@H](CCC(C)C)C[C@@H]1CCCO1 ZINC000053824475 169288837 /nfs/dbraw/zinc/28/88/37/169288837.db2.gz ZSVQEWCXIAXCHZ-KGLIPLIRSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[NH2+][C@@H](CCC(C)C)C[C@H]1CCCO1 ZINC000053824478 169278551 /nfs/dbraw/zinc/27/85/51/169278551.db2.gz ZSVQEWCXIAXCHZ-UONOGXRCSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[NH2+][C@H](CCC(C)C)C[C@H]1CCCO1 ZINC000053824480 169289267 /nfs/dbraw/zinc/28/92/67/169289267.db2.gz ZSVQEWCXIAXCHZ-ZIAGYGMSSA-N 1 0 227.392 3.360 10 0 BGAERO C[NH2+][C@H](Cc1ccccn1)CC1CCCCC1 ZINC000053825537 173454306 /nfs/dbraw/zinc/45/43/06/173454306.db2.gz CEJMCOCNBQKPAS-HNNXBMFYSA-N 1 0 232.371 3.183 10 0 BGAERO CC[NH2+][C@@H](Cc1ccccn1)CC1CCCC1 ZINC000053825712 170146457 /nfs/dbraw/zinc/14/64/57/170146457.db2.gz IDMUWUPDYNYQIR-OAHLLOKOSA-N 1 0 232.371 3.183 10 0 BGAERO CC[NH2+][C@H](Cc1ccccn1)CC1CCCC1 ZINC000053825714 170163158 /nfs/dbraw/zinc/16/31/58/170163158.db2.gz IDMUWUPDYNYQIR-HNNXBMFYSA-N 1 0 232.371 3.183 10 0 BGAERO CC[NH2+][C@@H](CCC(C)(C)C)Cc1ccccn1 ZINC000053825755 170145216 /nfs/dbraw/zinc/14/52/16/170145216.db2.gz AQQUXSRAGHMHDG-AWEZNQCLSA-N 1 0 234.387 3.429 10 0 BGAERO CC[NH2+][C@H](CCC(C)(C)C)Cc1ccccn1 ZINC000053825756 170161316 /nfs/dbraw/zinc/16/13/16/170161316.db2.gz AQQUXSRAGHMHDG-CQSZACIVSA-N 1 0 234.387 3.429 10 0 BGAERO CC[NH2+][C@@H](C)Cc1ccc(Br)s1 ZINC000053826825 170139772 /nfs/dbraw/zinc/13/97/72/170139772.db2.gz USIZYVSJGWYHMU-ZETCQYMHSA-N 1 0 248.189 3.051 10 0 BGAERO CC[NH2+][C@H](C)Cc1ccc(Br)s1 ZINC000053826827 170157877 /nfs/dbraw/zinc/15/78/77/170157877.db2.gz USIZYVSJGWYHMU-SSDOTTSWSA-N 1 0 248.189 3.051 10 0 BGAERO CC[NH2+][C@@H](C)Cc1cc(Br)cs1 ZINC000053826881 170140189 /nfs/dbraw/zinc/14/01/89/170140189.db2.gz OFOZBRGVTZPDBE-ZETCQYMHSA-N 1 0 248.189 3.051 10 0 BGAERO CC[NH2+][C@H](C)Cc1cc(Br)cs1 ZINC000053826883 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ZINC000054082060 180044288 /nfs/dbraw/zinc/04/42/88/180044288.db2.gz PPBCILGMFDGXCP-LBPRGKRZSA-N 1 0 224.373 3.124 10 0 BGAERO CC[NH2+][C@](C)(c1nccs1)C1CCCC1 ZINC000054082109 170170559 /nfs/dbraw/zinc/17/05/59/170170559.db2.gz WCEBMLBWFSZUMK-LBPRGKRZSA-N 1 0 224.373 3.158 10 0 BGAERO CC[NH2+][C@](C)(c1nc(C)cs1)C1CCCC1 ZINC000054082112 170170226 /nfs/dbraw/zinc/17/02/26/170170226.db2.gz OEPMHNZBBUENQK-ZDUSSCGKSA-N 1 0 238.400 3.466 10 0 BGAERO CC[C@@](C)([NH3+])c1nc(-c2ccco2)c(C)s1 ZINC000054083906 171172124 /nfs/dbraw/zinc/17/21/24/171172124.db2.gz JAQGBLBXEYIFFB-GFCCVEGCSA-N 1 0 236.340 3.295 10 0 BGAERO C[C@H]1[NH2+]C[C@@H](c2ccccc2)O[C@@H]1c1ccco1 ZINC000054084825 187316684 /nfs/dbraw/zinc/31/66/84/187316684.db2.gz XRVICNYXOPEGGC-UGFHNGPFSA-N 1 0 243.306 3.070 10 0 BGAERO CC[C@H](N[C@@H](C)C[NH+](CC)CC)c1ccco1 ZINC000054106599 171536680 /nfs/dbraw/zinc/53/66/80/171536680.db2.gz LEXZLIPOFBYJMJ-STQMWFEESA-N 1 0 238.375 3.051 10 0 BGAERO CC[C@H](N[C@H](C)C[NH+](CC)CC)c1ccco1 ZINC000054106601 171545275 /nfs/dbraw/zinc/54/52/75/171545275.db2.gz LEXZLIPOFBYJMJ-OLZOCXBDSA-N 1 0 238.375 3.051 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc3ncccc3c2)o1 ZINC000054108460 173387911 /nfs/dbraw/zinc/38/79/11/173387911.db2.gz LOIQVTTYFGXHRC-UHFFFAOYSA-N 1 0 238.290 3.214 10 0 BGAERO CCN(C)CC[NH2+][C@H](C)c1c(C)cc(C)cc1C ZINC000054109934 188300798 /nfs/dbraw/zinc/30/07/98/188300798.db2.gz VMHXAOZOQZMNOC-OAHLLOKOSA-N 1 0 248.414 3.214 10 0 BGAERO CC(C)N(C)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000054110650 188086327 /nfs/dbraw/zinc/08/63/27/188086327.db2.gz DZUZDADCANOIKL-KGLIPLIRSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)N(C)CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000054110651 387824849 /nfs/dbraw/zinc/82/48/49/387824849.db2.gz DZUZDADCANOIKL-KBPBESRZSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)N(C)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000054110652 387825526 /nfs/dbraw/zinc/82/55/26/387825526.db2.gz DZUZDADCANOIKL-ZIAGYGMSSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)N(C)CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000054110653 187395520 /nfs/dbraw/zinc/39/55/20/187395520.db2.gz DZUZDADCANOIKL-UONOGXRCSA-N 1 0 240.435 3.131 10 0 BGAERO C[C@@H](C[NH3+])c1nc(-c2cccc(F)c2)cs1 ZINC000054158279 175712942 /nfs/dbraw/zinc/71/29/42/175712942.db2.gz RTZALJPJOUETCZ-QMMMGPOBSA-N 1 0 236.315 3.011 10 0 BGAERO Cc1ccccc1-c1csc([C@@H](C)C[NH3+])n1 ZINC000054158287 179236935 /nfs/dbraw/zinc/23/69/35/179236935.db2.gz YVVIQGCOSWMMHO-JTQLQIEISA-N 1 0 232.352 3.181 10 0 BGAERO Cc1ccccc1-c1csc([C@H](C)C[NH3+])n1 ZINC000054158288 179237117 /nfs/dbraw/zinc/23/71/17/179237117.db2.gz YVVIQGCOSWMMHO-SNVBAGLBSA-N 1 0 232.352 3.181 10 0 BGAERO Cc1ccc(-c2csc([C@@H](C)C[NH3+])n2)s1 ZINC000054158295 178330138 /nfs/dbraw/zinc/33/01/38/178330138.db2.gz OTDOXELUDWDEJH-ZETCQYMHSA-N 1 0 238.381 3.242 10 0 BGAERO Cc1ccc(-c2csc([C@H](C)C[NH3+])n2)s1 ZINC000054158296 178330093 /nfs/dbraw/zinc/33/00/93/178330093.db2.gz OTDOXELUDWDEJH-SSDOTTSWSA-N 1 0 238.381 3.242 10 0 BGAERO C[C@@H](C[NH3+])c1nc(C2CCCCC2)cs1 ZINC000054158399 175712849 /nfs/dbraw/zinc/71/28/49/175712849.db2.gz RZYQSUDGPNKRGR-VIFPVBQESA-N 1 0 224.373 3.253 10 0 BGAERO C[C@H]([NH3+])c1cnc(-c2ccc(Cl)cc2)s1 ZINC000054159254 398026175 /nfs/dbraw/zinc/02/61/75/398026175.db2.gz PRGKNZQSRRKECM-ZETCQYMHSA-N 1 0 238.743 3.483 10 0 BGAERO C[C@@H]([NH3+])c1cnc(-c2ccc(Cl)cc2)s1 ZINC000054159255 175818794 /nfs/dbraw/zinc/81/87/94/175818794.db2.gz PRGKNZQSRRKECM-SSDOTTSWSA-N 1 0 238.743 3.483 10 0 BGAERO Cc1ccc(-c2ncc([C@@H](C)[NH3+])s2)cc1F ZINC000054159262 178338313 /nfs/dbraw/zinc/33/83/13/178338313.db2.gz HQJCHSLIGGPLLY-MRVPVSSYSA-N 1 0 236.315 3.277 10 0 BGAERO Cc1ccc(-c2ncc([C@H](C)[NH3+])s2)cc1F ZINC000054159263 178338189 /nfs/dbraw/zinc/33/81/89/178338189.db2.gz HQJCHSLIGGPLLY-QMMMGPOBSA-N 1 0 236.315 3.277 10 0 BGAERO Cc1ccccc1-c1ncc([C@@H](C)[NH3+])s1 ZINC000054159268 179239803 /nfs/dbraw/zinc/23/98/03/179239803.db2.gz XXUFMGWNBJHLEE-SECBINFHSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccccc1-c1ncc([C@H](C)[NH3+])s1 ZINC000054159269 179239301 /nfs/dbraw/zinc/23/93/01/179239301.db2.gz XXUFMGWNBJHLEE-VIFPVBQESA-N 1 0 218.325 3.138 10 0 BGAERO Cc1cc(-c2ncc([C@H](C)[NH3+])s2)ccc1F ZINC000054159271 177693941 /nfs/dbraw/zinc/69/39/41/177693941.db2.gz JPGGSOWHKUFHHD-QMMMGPOBSA-N 1 0 236.315 3.277 10 0 BGAERO Cc1ccc(-c2ncc([C@@H](C)[NH3+])s2)cc1 ZINC000054159272 178338251 /nfs/dbraw/zinc/33/82/51/178338251.db2.gz MLGXOUBSLGTVRF-SECBINFHSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccc(-c2ncc([C@H](C)[NH3+])s2)cc1 ZINC000054159273 178338342 /nfs/dbraw/zinc/33/83/42/178338342.db2.gz MLGXOUBSLGTVRF-VIFPVBQESA-N 1 0 218.325 3.138 10 0 BGAERO Cc1cccc(-c2ncc([C@@H](C)[NH3+])s2)c1 ZINC000054159276 178998438 /nfs/dbraw/zinc/99/84/38/178998438.db2.gz YNROVKSDBZKICM-SECBINFHSA-N 1 0 218.325 3.138 10 0 BGAERO Cc1ccc(-c2ncc([C@@H](C)[NH3+])s2)c(F)c1 ZINC000054159332 178338494 /nfs/dbraw/zinc/33/84/94/178338494.db2.gz QOIHNMBDGOEVIO-MRVPVSSYSA-N 1 0 236.315 3.277 10 0 BGAERO Cc1ccc(-c2ncc([C@H](C)[NH3+])s2)c(F)c1 ZINC000054159333 178338267 /nfs/dbraw/zinc/33/82/67/178338267.db2.gz QOIHNMBDGOEVIO-QMMMGPOBSA-N 1 0 236.315 3.277 10 0 BGAERO Cc1ccccc1Cc1ncc([C@@H](C)[NH3+])s1 ZINC000054159404 179293047 /nfs/dbraw/zinc/29/30/47/179293047.db2.gz YRCSWTPEIBLUPK-SNVBAGLBSA-N 1 0 232.352 3.062 10 0 BGAERO Cc1ccccc1Cc1ncc([C@H](C)[NH3+])s1 ZINC000054159405 179292675 /nfs/dbraw/zinc/29/26/75/179292675.db2.gz YRCSWTPEIBLUPK-JTQLQIEISA-N 1 0 232.352 3.062 10 0 BGAERO C[C@@H]([NH3+])c1cnc(C2CCC(C)CC2)s1 ZINC000054159408 168169517 /nfs/dbraw/zinc/16/95/17/168169517.db2.gz PIISDCRFIJRVJY-HWOCKDDLSA-N 1 0 224.373 3.457 10 0 BGAERO C[C@H]([NH3+])c1cnc(C2CCC(C)CC2)s1 ZINC000054159409 168169910 /nfs/dbraw/zinc/16/99/10/168169910.db2.gz PIISDCRFIJRVJY-KYHHOPLUSA-N 1 0 224.373 3.457 10 0 BGAERO C[C@H]([NH3+])c1cnc(-c2cc(F)cc(F)c2)s1 ZINC000054159412 176778187 /nfs/dbraw/zinc/77/81/87/176778187.db2.gz CGKVETFSEGFTDO-LURJTMIESA-N 1 0 240.278 3.108 10 0 BGAERO C[NH2+][C@@H](C)c1cnc(C2CCCC2)s1 ZINC000054159426 386110798 /nfs/dbraw/zinc/11/07/98/386110798.db2.gz CVNVPIADRFZENT-QMMMGPOBSA-N 1 0 210.346 3.081 10 0 BGAERO C[NH2+][C@H](C)c1cnc(C2CCCC2)s1 ZINC000054159427 386112688 /nfs/dbraw/zinc/11/26/88/386112688.db2.gz CVNVPIADRFZENT-MRVPVSSYSA-N 1 0 210.346 3.081 10 0 BGAERO C[NH2+][C@@H](C)c1cnc(-c2ccsc2)s1 ZINC000054159540 386111364 /nfs/dbraw/zinc/11/13/64/386111364.db2.gz XYLNLUKFXQYGDV-ZETCQYMHSA-N 1 0 224.354 3.152 10 0 BGAERO C[NH2+][C@H](C)c1cnc(-c2ccsc2)s1 ZINC000054159541 386112483 /nfs/dbraw/zinc/11/24/83/386112483.db2.gz XYLNLUKFXQYGDV-SSDOTTSWSA-N 1 0 224.354 3.152 10 0 BGAERO CC[NH2+][C@@H](C)c1cnc(C2CCCC2)s1 ZINC000054159616 170142953 /nfs/dbraw/zinc/14/29/53/170142953.db2.gz YXWVLSRLRHBJIF-VIFPVBQESA-N 1 0 224.373 3.471 10 0 BGAERO CC[NH2+][C@H](C)c1cnc(C2CCCC2)s1 ZINC000054159617 170160063 /nfs/dbraw/zinc/16/00/63/170160063.db2.gz YXWVLSRLRHBJIF-SECBINFHSA-N 1 0 224.373 3.471 10 0 BGAERO CC[NH2+][C@@H](C)c1cnc(-c2ccccc2)s1 ZINC000054159620 170142506 /nfs/dbraw/zinc/14/25/06/170142506.db2.gz IMWURUZSYYSVPO-JTQLQIEISA-N 1 0 232.352 3.481 10 0 BGAERO CC[NH2+][C@H](C)c1cnc(-c2ccccc2)s1 ZINC000054159621 170160022 /nfs/dbraw/zinc/16/00/22/170160022.db2.gz IMWURUZSYYSVPO-SNVBAGLBSA-N 1 0 232.352 3.481 10 0 BGAERO CC[NH2+][C@@H](C)c1cnc(C(C)(C)C)s1 ZINC000054159676 170143009 /nfs/dbraw/zinc/14/30/09/170143009.db2.gz FVZFXLYMCHEWFH-QMMMGPOBSA-N 1 0 212.362 3.111 10 0 BGAERO CC[NH2+][C@H](C)c1cnc(C(C)(C)C)s1 ZINC000054159677 170159831 /nfs/dbraw/zinc/15/98/31/170159831.db2.gz FVZFXLYMCHEWFH-MRVPVSSYSA-N 1 0 212.362 3.111 10 0 BGAERO CC[NH2+][C@@H](C)c1cnc(-c2ncccc2C)s1 ZINC000054159784 170143207 /nfs/dbraw/zinc/14/32/07/170143207.db2.gz RQGFPDCURDTDLN-JTQLQIEISA-N 1 0 247.367 3.184 10 0 BGAERO CC[NH2+][C@H](C)c1cnc(-c2ncccc2C)s1 ZINC000054159785 170159871 /nfs/dbraw/zinc/15/98/71/170159871.db2.gz RQGFPDCURDTDLN-SNVBAGLBSA-N 1 0 247.367 3.184 10 0 BGAERO CCC[NH2+][C@@H](C)c1cnc(-c2ccncc2)s1 ZINC000054159860 169277252 /nfs/dbraw/zinc/27/72/52/169277252.db2.gz VFVHPGKHMJLTCY-JTQLQIEISA-N 1 0 247.367 3.266 10 0 BGAERO CCC[NH2+][C@H](C)c1cnc(-c2ccncc2)s1 ZINC000054159861 169288351 /nfs/dbraw/zinc/28/83/51/169288351.db2.gz VFVHPGKHMJLTCY-SNVBAGLBSA-N 1 0 247.367 3.266 10 0 BGAERO CC[NH2+][C@@H](C)c1cnc(-c2ccco2)s1 ZINC000054160206 170143213 /nfs/dbraw/zinc/14/32/13/170143213.db2.gz ZQXAHEZGNCCVKG-QMMMGPOBSA-N 1 0 222.313 3.074 10 0 BGAERO CC[NH2+][C@H](C)c1cnc(-c2ccco2)s1 ZINC000054160207 170160158 /nfs/dbraw/zinc/16/01/58/170160158.db2.gz ZQXAHEZGNCCVKG-MRVPVSSYSA-N 1 0 222.313 3.074 10 0 BGAERO CC[NH2+][C@@H](C)c1cnc(-c2ccc(C)o2)s1 ZINC000054160276 170142448 /nfs/dbraw/zinc/14/24/48/170142448.db2.gz LBYWSVUGCDKLBM-VIFPVBQESA-N 1 0 236.340 3.382 10 0 BGAERO CC[NH2+][C@H](C)c1cnc(-c2ccc(C)o2)s1 ZINC000054160277 170160455 /nfs/dbraw/zinc/16/04/55/170160455.db2.gz LBYWSVUGCDKLBM-SECBINFHSA-N 1 0 236.340 3.382 10 0 BGAERO Cc1ccc(-c2ncc([C@@H](C)[NH3+])s2)cc1C ZINC000054160548 178338714 /nfs/dbraw/zinc/33/87/14/178338714.db2.gz HZTMGFMVMDXCMA-SNVBAGLBSA-N 1 0 232.352 3.447 10 0 BGAERO Cc1ccc(-c2ncc([C@H](C)[NH3+])s2)cc1C ZINC000054160549 178337959 /nfs/dbraw/zinc/33/79/59/178337959.db2.gz HZTMGFMVMDXCMA-JTQLQIEISA-N 1 0 232.352 3.447 10 0 BGAERO Cc1ccc(-c2ncc([C@@H](C)[NH3+])s2)c(C)c1 ZINC000054160576 178338856 /nfs/dbraw/zinc/33/88/56/178338856.db2.gz QZXDQBBUPKMKKY-SNVBAGLBSA-N 1 0 232.352 3.447 10 0 BGAERO Cc1ccc(-c2ncc([C@H](C)[NH3+])s2)c(C)c1 ZINC000054160577 178338866 /nfs/dbraw/zinc/33/88/66/178338866.db2.gz QZXDQBBUPKMKKY-JTQLQIEISA-N 1 0 232.352 3.447 10 0 BGAERO Cc1ccc(-c2ncc([C@@H](C)[NH3+])s2)s1 ZINC000054160662 178337920 /nfs/dbraw/zinc/33/79/20/178337920.db2.gz SOANVMBAMJJMKK-SSDOTTSWSA-N 1 0 224.354 3.200 10 0 BGAERO Cc1ccc(-c2ncc([C@H](C)[NH3+])s2)s1 ZINC000054160663 178338590 /nfs/dbraw/zinc/33/85/90/178338590.db2.gz SOANVMBAMJJMKK-ZETCQYMHSA-N 1 0 224.354 3.200 10 0 BGAERO Cc1ccccc1-c1csc(C[C@@H](C)[NH3+])n1 ZINC000054160897 179237138 /nfs/dbraw/zinc/23/71/38/179237138.db2.gz DQTLLPQYXWSYFN-SNVBAGLBSA-N 1 0 232.352 3.008 10 0 BGAERO Cc1ccccc1-c1csc(C[C@H](C)[NH3+])n1 ZINC000054160898 179237258 /nfs/dbraw/zinc/23/72/58/179237258.db2.gz DQTLLPQYXWSYFN-JTQLQIEISA-N 1 0 232.352 3.008 10 0 BGAERO Cc1ccc(-c2csc(C[C@@H](C)[NH3+])n2)s1 ZINC000054160909 178330452 /nfs/dbraw/zinc/33/04/52/178330452.db2.gz CEHSQUAMOIIUJJ-SSDOTTSWSA-N 1 0 238.381 3.070 10 0 BGAERO Cc1ccc(-c2csc(C[C@H](C)[NH3+])n2)s1 ZINC000054160910 178329707 /nfs/dbraw/zinc/32/97/07/178329707.db2.gz CEHSQUAMOIIUJJ-ZETCQYMHSA-N 1 0 238.381 3.070 10 0 BGAERO CC[C@@H]([NH3+])Cc1nc(-c2cccs2)cs1 ZINC000054184330 170866071 /nfs/dbraw/zinc/86/60/71/170866071.db2.gz BOOFHSBUCOBQRS-MRVPVSSYSA-N 1 0 238.381 3.151 10 0 BGAERO C[C@H](CC[NH3+])Sc1cccc(Cl)c1 ZINC000054185785 176627876 /nfs/dbraw/zinc/62/78/76/176627876.db2.gz DJBGPRQRIGFOKO-MRVPVSSYSA-N 1 0 215.749 3.169 10 0 BGAERO Clc1cccc(SC[C@@H]2CCC[NH2+]2)c1 ZINC000054186231 359603989 /nfs/dbraw/zinc/60/39/89/359603989.db2.gz SILPKNAKZZUDGM-JTQLQIEISA-N 1 0 227.760 3.184 10 0 BGAERO C[C@H](CNc1ccc(C(F)(F)F)cc1)[NH+](C)C ZINC000054186849 176686312 /nfs/dbraw/zinc/68/63/12/176686312.db2.gz WKMSKSZEDZDLBG-SECBINFHSA-N 1 0 246.276 3.067 10 0 BGAERO CC[NH2+]CCCNc1ccc(C(F)(F)F)cc1 ZINC000054186997 170112609 /nfs/dbraw/zinc/11/26/09/170112609.db2.gz YQKLFRMMNZTBDN-UHFFFAOYSA-N 1 0 246.276 3.117 10 0 BGAERO [NH3+][C@H](c1cccs1)c1cccc(F)c1F ZINC000054189578 181635360 /nfs/dbraw/zinc/63/53/60/181635360.db2.gz PENOBDJHJGZTAD-NSHDSACASA-N 1 0 225.263 3.074 10 0 BGAERO Cc1cc([C@H]([NH3+])c2cccc(F)c2F)c(C)o1 ZINC000054205353 178262035 /nfs/dbraw/zinc/26/20/35/178262035.db2.gz HKDXAZGOCQADKN-CYBMUJFWSA-N 1 0 237.249 3.223 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2cccc(F)c2F)c(C)o1 ZINC000054205354 178237832 /nfs/dbraw/zinc/23/78/32/178237832.db2.gz HKDXAZGOCQADKN-ZDUSSCGKSA-N 1 0 237.249 3.223 10 0 BGAERO CC[NH2+][C@@H]1CCOc2c(Cl)cc(C)cc21 ZINC000054348774 170152653 /nfs/dbraw/zinc/15/26/53/170152653.db2.gz CPHLNWVITZFAJB-LLVKDONJSA-N 1 0 225.719 3.082 10 0 BGAERO CC[NH2+][C@H]1CCOc2c(Cl)cc(C)cc21 ZINC000054348777 170168829 /nfs/dbraw/zinc/16/88/29/170168829.db2.gz CPHLNWVITZFAJB-NSHDSACASA-N 1 0 225.719 3.082 10 0 BGAERO Cc1cc2c(c(Cl)c1)OC[C@@H]2[NH2+]C(C)C ZINC000054348845 636447536 /nfs/dbraw/zinc/44/75/36/636447536.db2.gz IDYFSXKDQYNTEJ-NSHDSACASA-N 1 0 225.719 3.080 10 0 BGAERO Cc1cc2c(c(Cl)c1)OC[C@H]2[NH2+]C(C)C ZINC000054348850 636447098 /nfs/dbraw/zinc/44/70/98/636447098.db2.gz IDYFSXKDQYNTEJ-LLVKDONJSA-N 1 0 225.719 3.080 10 0 BGAERO CCC[NH2+][C@@H]1COc2c1cc(C)cc2Cl ZINC000054348874 636447427 /nfs/dbraw/zinc/44/74/27/636447427.db2.gz HLERPJUOTMLWLX-LLVKDONJSA-N 1 0 225.719 3.082 10 0 BGAERO CCC[NH2+][C@H]1COc2c1cc(C)cc2Cl ZINC000054348877 636448020 /nfs/dbraw/zinc/44/80/20/636448020.db2.gz HLERPJUOTMLWLX-NSHDSACASA-N 1 0 225.719 3.082 10 0 BGAERO Cc1ccc(OCCC[NH2+]C2CC2)c(Cl)c1 ZINC000054352099 188300237 /nfs/dbraw/zinc/30/02/37/188300237.db2.gz DXNMPMYOOSGCBT-UHFFFAOYSA-N 1 0 239.746 3.169 10 0 BGAERO CC[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC000054375861 171346042 /nfs/dbraw/zinc/34/60/42/171346042.db2.gz IWYKJWLZSWDDCU-UWVGGRQHSA-N 1 0 217.316 3.012 10 0 BGAERO CC[C@H](C)[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC000054375863 171347882 /nfs/dbraw/zinc/34/78/82/171347882.db2.gz IWYKJWLZSWDDCU-VHSXEESVSA-N 1 0 217.316 3.012 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC000054375935 167384078 /nfs/dbraw/zinc/38/40/78/167384078.db2.gz VWVJEFYTNHMENI-MNOVXSKESA-N 1 0 231.343 3.258 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1nc2ccccc2[nH]1 ZINC000054375936 188126997 /nfs/dbraw/zinc/12/69/97/188126997.db2.gz VWVJEFYTNHMENI-QWRGUYRKSA-N 1 0 231.343 3.258 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1nc2ccccc2[nH]1 ZINC000054375938 167385437 /nfs/dbraw/zinc/38/54/37/167385437.db2.gz VWVJEFYTNHMENI-GHMZBOCLSA-N 1 0 231.343 3.258 10 0 BGAERO CCC(C)(C)C(=O)Nc1cccc([C@@H](C)[NH3+])c1 ZINC000054401983 168268535 /nfs/dbraw/zinc/26/85/35/168268535.db2.gz NKBJJILUGFPZTM-SNVBAGLBSA-N 1 0 234.343 3.081 10 0 BGAERO CCC(C)(C)C(=O)Nc1cccc([C@H](C)[NH3+])c1 ZINC000054401985 168269228 /nfs/dbraw/zinc/26/92/28/168269228.db2.gz NKBJJILUGFPZTM-JTQLQIEISA-N 1 0 234.343 3.081 10 0 BGAERO CCC(C)(C)C(=O)Nc1cccc([C@@H](C)[NH2+]C)c1 ZINC000054402000 168269448 /nfs/dbraw/zinc/26/94/48/168269448.db2.gz ZUVRVQLSMDSRQR-LLVKDONJSA-N 1 0 248.370 3.342 10 0 BGAERO CCC(C)(C)C(=O)Nc1cccc([C@H](C)[NH2+]C)c1 ZINC000054402002 168268511 /nfs/dbraw/zinc/26/85/11/168268511.db2.gz ZUVRVQLSMDSRQR-NSHDSACASA-N 1 0 248.370 3.342 10 0 BGAERO CCC(C)(C)[C@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000054402314 168304752 /nfs/dbraw/zinc/30/47/52/168304752.db2.gz VHOFOFJPCXEZJO-CYBMUJFWSA-N 1 0 237.343 3.140 10 0 BGAERO CCC(C)(C)[C@@H]([NH3+])c1ccc(OC)c(OC)c1 ZINC000054402315 168304297 /nfs/dbraw/zinc/30/42/97/168304297.db2.gz VHOFOFJPCXEZJO-ZDUSSCGKSA-N 1 0 237.343 3.140 10 0 BGAERO CCC(C)(C)[C@H]([NH3+])c1ccc(OC)cc1 ZINC000054402316 168304436 /nfs/dbraw/zinc/30/44/36/168304436.db2.gz IWYSLNSSPRZSJZ-GFCCVEGCSA-N 1 0 207.317 3.131 10 0 BGAERO CCC(C)(C)[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000054402318 168304726 /nfs/dbraw/zinc/30/47/26/168304726.db2.gz IWYSLNSSPRZSJZ-LBPRGKRZSA-N 1 0 207.317 3.131 10 0 BGAERO CCC(C)(C)[C@H]([NH3+])c1cc(OC)ccc1OC ZINC000054402342 168303756 /nfs/dbraw/zinc/30/37/56/168303756.db2.gz LXYWFZXLZMFKEU-CYBMUJFWSA-N 1 0 237.343 3.140 10 0 BGAERO CCC(C)(C)[C@@H]([NH3+])c1cc(OC)ccc1OC ZINC000054402343 168304765 /nfs/dbraw/zinc/30/47/65/168304765.db2.gz LXYWFZXLZMFKEU-ZDUSSCGKSA-N 1 0 237.343 3.140 10 0 BGAERO CCC(C)(C)[C@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000054402655 168304767 /nfs/dbraw/zinc/30/47/67/168304767.db2.gz ZVKFIRNUIIREDG-CQSZACIVSA-N 1 0 249.354 3.155 10 0 BGAERO CCC(C)(C)[C@@H]([NH2+]C)c1ccc2c(c1)OCCO2 ZINC000054402656 168304707 /nfs/dbraw/zinc/30/47/07/168304707.db2.gz ZVKFIRNUIIREDG-AWEZNQCLSA-N 1 0 249.354 3.155 10 0 BGAERO CCC(C)(C)[C@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000054402941 168304252 /nfs/dbraw/zinc/30/42/52/168304252.db2.gz OHAIEKJAHHHGQT-GFCCVEGCSA-N 1 0 243.297 3.409 10 0 BGAERO CCC(C)(C)[C@@H]([NH3+])c1c(F)cc(OC)cc1F ZINC000054402942 168304240 /nfs/dbraw/zinc/30/42/40/168304240.db2.gz OHAIEKJAHHHGQT-LBPRGKRZSA-N 1 0 243.297 3.409 10 0 BGAERO [NH3+]C1(Cc2c(Cl)cccc2Cl)CC1 ZINC000054404902 346713177 /nfs/dbraw/zinc/71/31/77/346713177.db2.gz PPZCAMXBHXGMJD-UHFFFAOYSA-N 1 0 216.111 3.027 10 0 BGAERO [NH3+]C1(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000054404909 346713223 /nfs/dbraw/zinc/71/32/23/346713223.db2.gz FJDPUCCLNPGFQA-UHFFFAOYSA-N 1 0 216.111 3.027 10 0 BGAERO [NH3+]C1(Cc2ccc(Cl)cc2Cl)CC1 ZINC000054404925 346713128 /nfs/dbraw/zinc/71/31/28/346713128.db2.gz UKIIJUQPOJTQQW-UHFFFAOYSA-N 1 0 216.111 3.027 10 0 BGAERO Cc1cccc([C@H]([NH3+])COc2ccccc2)c1C ZINC000054437171 179201254 /nfs/dbraw/zinc/20/12/54/179201254.db2.gz LWXOPUVMAATYTI-MRXNPFEDSA-N 1 0 241.334 3.382 10 0 BGAERO Cc1cccc([C@@H]([NH3+])COc2ccccc2)c1C ZINC000054437173 179184524 /nfs/dbraw/zinc/18/45/24/179184524.db2.gz LWXOPUVMAATYTI-INIZCTEOSA-N 1 0 241.334 3.382 10 0 BGAERO CCCCC[C@H](COc1ccccc1)[NH2+]C ZINC000054437213 168745011 /nfs/dbraw/zinc/74/50/11/168745011.db2.gz NKNHKFFNUYTHGS-CYBMUJFWSA-N 1 0 221.344 3.234 10 0 BGAERO CC[NH2+][C@H](COc1ccccc1)CC(C)C ZINC000054437567 170162249 /nfs/dbraw/zinc/16/22/49/170162249.db2.gz RSQPVUKUHOLEOS-ZDUSSCGKSA-N 1 0 221.344 3.090 10 0 BGAERO CC[NH2+][C@@H](COc1ccccc1)CC(C)C ZINC000054437569 170145774 /nfs/dbraw/zinc/14/57/74/170145774.db2.gz RSQPVUKUHOLEOS-CYBMUJFWSA-N 1 0 221.344 3.090 10 0 BGAERO [NH3+][C@H](c1cccnc1)c1cccc2ccccc21 ZINC000054438810 181634280 /nfs/dbraw/zinc/63/42/80/181634280.db2.gz AGNBCHXLVJWISB-MRXNPFEDSA-N 1 0 234.302 3.283 10 0 BGAERO [NH3+][C@H](Cc1ccc(Cl)s1)c1ccco1 ZINC000054455794 385536356 /nfs/dbraw/zinc/53/63/56/385536356.db2.gz ZUTSZVXFPYGDEW-MRVPVSSYSA-N 1 0 227.716 3.237 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)s1)c1ccco1 ZINC000054455796 385536639 /nfs/dbraw/zinc/53/66/39/385536639.db2.gz ZUTSZVXFPYGDEW-QMMMGPOBSA-N 1 0 227.716 3.237 10 0 BGAERO C[NH2+][C@@H](CCc1ccccc1)c1ccco1 ZINC000054455926 349033352 /nfs/dbraw/zinc/03/33/52/349033352.db2.gz VMDLIZOGORTZKJ-ZDUSSCGKSA-N 1 0 215.296 3.173 10 0 BGAERO C[NH2+][C@H](CCc1ccccc1)c1ccco1 ZINC000054455928 349033701 /nfs/dbraw/zinc/03/37/01/349033701.db2.gz VMDLIZOGORTZKJ-CYBMUJFWSA-N 1 0 215.296 3.173 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000054463734 176405062 /nfs/dbraw/zinc/40/50/62/176405062.db2.gz PGHKTZFGHGRLIX-SKDRFNHKSA-N 1 0 217.337 3.399 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000054463737 177349925 /nfs/dbraw/zinc/34/99/25/177349925.db2.gz PGHKTZFGHGRLIX-CABZTGNLSA-N 1 0 217.337 3.399 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000054463739 711795048 /nfs/dbraw/zinc/79/50/48/711795048.db2.gz PGHKTZFGHGRLIX-BXKDBHETSA-N 1 0 217.337 3.399 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000054463742 177386082 /nfs/dbraw/zinc/38/60/82/177386082.db2.gz PGHKTZFGHGRLIX-JOYOIKCWSA-N 1 0 217.337 3.399 10 0 BGAERO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000054467219 170708366 /nfs/dbraw/zinc/70/83/66/170708366.db2.gz VHRWCAWWTDYTRZ-MNOVXSKESA-N 1 0 237.343 3.098 10 0 BGAERO CC[C@H](C)C[NH2+][C@@H](C)c1ccc(O)c(OC)c1 ZINC000054467221 171285367 /nfs/dbraw/zinc/28/53/67/171285367.db2.gz VHRWCAWWTDYTRZ-QWRGUYRKSA-N 1 0 237.343 3.098 10 0 BGAERO CC[C@H](C)C[NH2+][C@H](C)c1ccc(O)c(OC)c1 ZINC000054467226 171287398 /nfs/dbraw/zinc/28/73/98/171287398.db2.gz VHRWCAWWTDYTRZ-WDEREUQCSA-N 1 0 237.343 3.098 10 0 BGAERO CC[C@H](C)C[NH2+]Cc1ccccc1N1CCCC1 ZINC000054468290 171285642 /nfs/dbraw/zinc/28/56/42/171285642.db2.gz CPKUIGCFVAAUTG-AWEZNQCLSA-N 1 0 246.398 3.423 10 0 BGAERO CC[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000054468592 636720822 /nfs/dbraw/zinc/72/08/22/636720822.db2.gz MQSHUEQRTOYLPP-NEPJUHHUSA-N 1 0 233.355 3.318 10 0 BGAERO CC[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000054468594 636720455 /nfs/dbraw/zinc/72/04/55/636720455.db2.gz MQSHUEQRTOYLPP-RYUDHWBXSA-N 1 0 233.355 3.318 10 0 BGAERO CC[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000054468596 636720784 /nfs/dbraw/zinc/72/07/84/636720784.db2.gz MQSHUEQRTOYLPP-VXGBXAGGSA-N 1 0 233.355 3.318 10 0 BGAERO CC[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000054468599 636720562 /nfs/dbraw/zinc/72/05/62/636720562.db2.gz MQSHUEQRTOYLPP-NWDGAFQWSA-N 1 0 233.355 3.318 10 0 BGAERO CC[C@H](C)CNc1nc2ccccc2[nH]1 ZINC000054474478 171289220 /nfs/dbraw/zinc/28/92/20/171289220.db2.gz HEVAVAHCKMLAQT-VIFPVBQESA-N 1 0 203.289 3.021 10 0 BGAERO CSC[C@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000054495002 369073918 /nfs/dbraw/zinc/07/39/18/369073918.db2.gz XRZOBOPANFETPX-VIFPVBQESA-N 1 0 236.167 3.356 10 0 BGAERO CSC[C@@H]([NH3+])c1ccc(Cl)c(Cl)c1 ZINC000054495004 369073862 /nfs/dbraw/zinc/07/38/62/369073862.db2.gz XRZOBOPANFETPX-SECBINFHSA-N 1 0 236.167 3.356 10 0 BGAERO C[NH2+][C@@H](CSC)Cc1cccc2ccccc21 ZINC000054495642 173423961 /nfs/dbraw/zinc/42/39/61/173423961.db2.gz ZDBTUQUXEGLZDY-CQSZACIVSA-N 1 0 245.391 3.333 10 0 BGAERO CCn1c2ccc(Cl)cc2nc1[C@H]([NH3+])C1CC1 ZINC000054501934 187272326 /nfs/dbraw/zinc/27/23/26/187272326.db2.gz JSGSCNGFOJAXGJ-GFCCVEGCSA-N 1 0 249.745 3.119 10 0 BGAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1N(C)CC ZINC000054554837 169282791 /nfs/dbraw/zinc/28/27/91/169282791.db2.gz PVAXJEGUYQRRQM-ZNMIVQPWSA-N 1 0 240.435 3.131 10 0 BGAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1N(C)CC ZINC000054554838 169292710 /nfs/dbraw/zinc/29/27/10/169292710.db2.gz PVAXJEGUYQRRQM-KKUMJFAQSA-N 1 0 240.435 3.131 10 0 BGAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1N(C)CC ZINC000054554839 169283284 /nfs/dbraw/zinc/28/32/84/169283284.db2.gz PVAXJEGUYQRRQM-KFWWJZLASA-N 1 0 240.435 3.131 10 0 BGAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1N(C)CC ZINC000054554840 169292662 /nfs/dbraw/zinc/29/26/62/169292662.db2.gz PVAXJEGUYQRRQM-ILXRZTDVSA-N 1 0 240.435 3.131 10 0 BGAERO CCC[N@H+](C(C)C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054554908 169049954 /nfs/dbraw/zinc/04/99/54/169049954.db2.gz LLRDPWXLDURKLI-QLFBSQMISA-N 1 0 240.435 3.259 10 0 BGAERO CC(C)[C@H](C)[N@H+](C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1N ZINC000054555076 188300988 /nfs/dbraw/zinc/30/09/88/188300988.db2.gz VHRATAJXLHRKBV-LJISPDSOSA-N 1 0 240.435 3.115 10 0 BGAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1n1cccn1 ZINC000054555799 169283514 /nfs/dbraw/zinc/28/35/14/169283514.db2.gz IYCAFKBPSOCCKS-ZNMIVQPWSA-N 1 0 249.402 3.249 10 0 BGAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1n1cccn1 ZINC000054555800 169292382 /nfs/dbraw/zinc/29/23/82/169292382.db2.gz IYCAFKBPSOCCKS-KKUMJFAQSA-N 1 0 249.402 3.249 10 0 BGAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1n1cccn1 ZINC000054555801 169283013 /nfs/dbraw/zinc/28/30/13/169283013.db2.gz IYCAFKBPSOCCKS-KFWWJZLASA-N 1 0 249.402 3.249 10 0 BGAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1n1cccn1 ZINC000054555802 169292656 /nfs/dbraw/zinc/29/26/56/169292656.db2.gz IYCAFKBPSOCCKS-ILXRZTDVSA-N 1 0 249.402 3.249 10 0 BGAERO CCC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1n1ccnc1 ZINC000054555835 169283322 /nfs/dbraw/zinc/28/33/22/169283322.db2.gz XXOIMGUNQNXFIU-ZNMIVQPWSA-N 1 0 249.402 3.249 10 0 BGAERO CCC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1n1ccnc1 ZINC000054555836 169292196 /nfs/dbraw/zinc/29/21/96/169292196.db2.gz XXOIMGUNQNXFIU-KKUMJFAQSA-N 1 0 249.402 3.249 10 0 BGAERO CCC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1n1ccnc1 ZINC000054555837 169283521 /nfs/dbraw/zinc/28/35/21/169283521.db2.gz XXOIMGUNQNXFIU-KFWWJZLASA-N 1 0 249.402 3.249 10 0 BGAERO CCC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1n1ccnc1 ZINC000054555838 169292881 /nfs/dbraw/zinc/29/28/81/169292881.db2.gz XXOIMGUNQNXFIU-ILXRZTDVSA-N 1 0 249.402 3.249 10 0 BGAERO CC(C)C1CCC([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000054555930 166756895 /nfs/dbraw/zinc/75/68/95/166756895.db2.gz FJRURISVIRDFTB-CVSAEHQPSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)C1CCC([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000054555931 488275442 /nfs/dbraw/zinc/27/54/42/488275442.db2.gz FJRURISVIRDFTB-WUCCLRPBSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)C1CCC([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000054555932 488275629 /nfs/dbraw/zinc/27/56/29/488275629.db2.gz FJRURISVIRDFTB-NEXFUWMNSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)C1CCC([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000054555933 166756217 /nfs/dbraw/zinc/75/62/17/166756217.db2.gz FJRURISVIRDFTB-PFSRBDOWSA-N 1 0 239.403 3.094 10 0 BGAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1n1cc(C)cn1 ZINC000054555986 170153755 /nfs/dbraw/zinc/15/37/55/170153755.db2.gz NHHLYVSRDQCROL-ZNMIVQPWSA-N 1 0 249.402 3.167 10 0 BGAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1n1cc(C)cn1 ZINC000054555987 170168658 /nfs/dbraw/zinc/16/86/58/170168658.db2.gz NHHLYVSRDQCROL-KKUMJFAQSA-N 1 0 249.402 3.167 10 0 BGAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1n1cc(C)cn1 ZINC000054555988 170152628 /nfs/dbraw/zinc/15/26/28/170152628.db2.gz NHHLYVSRDQCROL-KFWWJZLASA-N 1 0 249.402 3.167 10 0 BGAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1n1cc(C)cn1 ZINC000054555989 170168736 /nfs/dbraw/zinc/16/87/36/170168736.db2.gz NHHLYVSRDQCROL-ILXRZTDVSA-N 1 0 249.402 3.167 10 0 BGAERO CC(C)C[C@@H](CO)[NH2+]C1CCC(C(C)C)CC1 ZINC000054556335 384841032 /nfs/dbraw/zinc/84/10/32/384841032.db2.gz SWDYXMYUORGTFZ-NRXISQOPSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](CO)[NH2+]C1CCC(C(C)C)CC1 ZINC000054556336 322856538 /nfs/dbraw/zinc/85/65/38/322856538.db2.gz SWDYXMYUORGTFZ-YMAMQOFZSA-N 1 0 241.419 3.198 10 0 BGAERO CC[NH2+][C@@H]1CC[C@H](C(C)C)C[C@@H]1OCC(C)C ZINC000054556416 170153953 /nfs/dbraw/zinc/15/39/53/170153953.db2.gz FPZULIPIQRAMJI-ZNMIVQPWSA-N 1 0 241.419 3.462 10 0 BGAERO CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1OCC(C)C ZINC000054556417 170168483 /nfs/dbraw/zinc/16/84/83/170168483.db2.gz FPZULIPIQRAMJI-KKUMJFAQSA-N 1 0 241.419 3.462 10 0 BGAERO CC[NH2+][C@@H]1CC[C@@H](C(C)C)C[C@@H]1OCC(C)C ZINC000054556418 170152716 /nfs/dbraw/zinc/15/27/16/170152716.db2.gz FPZULIPIQRAMJI-KFWWJZLASA-N 1 0 241.419 3.462 10 0 BGAERO CC[NH2+][C@H]1CC[C@@H](C(C)C)C[C@@H]1OCC(C)C ZINC000054556419 170168563 /nfs/dbraw/zinc/16/85/63/170168563.db2.gz FPZULIPIQRAMJI-ILXRZTDVSA-N 1 0 241.419 3.462 10 0 BGAERO CC(C)C1CCC([NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000054556726 636865393 /nfs/dbraw/zinc/86/53/93/636865393.db2.gz LSGUTYMDPPLVPJ-CVSAEHQPSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)C1CCC([NH2+][C@H]2CCCC[C@H]2O)CC1 ZINC000054556729 166755886 /nfs/dbraw/zinc/75/58/86/166755886.db2.gz LSGUTYMDPPLVPJ-PFSRBDOWSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H]1CCc2nc(C(C)(C)[NH3+])sc2C1 ZINC000054556852 187271918 /nfs/dbraw/zinc/27/19/18/187271918.db2.gz BIUXNZMZIKSINE-SECBINFHSA-N 1 0 238.400 3.098 10 0 BGAERO CC[NH2+]Cc1nc2c(s1)C[C@H](C(C)C)CC2 ZINC000054556909 170131957 /nfs/dbraw/zinc/13/19/57/170131957.db2.gz KGFPYKVBXWHQOL-SNVBAGLBSA-N 1 0 238.400 3.014 10 0 BGAERO CC[NH2+]Cc1nc2c(s1)C[C@@H](C(C)C)CC2 ZINC000054556910 170131555 /nfs/dbraw/zinc/13/15/55/170131555.db2.gz KGFPYKVBXWHQOL-JTQLQIEISA-N 1 0 238.400 3.014 10 0 BGAERO CC(C)C[N@H+](C)C1(CN)CCC(C(C)C)CC1 ZINC000054557002 166937991 /nfs/dbraw/zinc/93/79/91/166937991.db2.gz GKBWCMWBAMOZRV-UHFFFAOYSA-N 1 0 240.435 3.118 10 0 BGAERO CCC[NH+](CCC)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558171 169151072 /nfs/dbraw/zinc/15/10/72/169151072.db2.gz JTBXVBARIKFFNQ-KFWWJZLASA-N 1 0 241.419 3.294 10 0 BGAERO CCC[NH+](CCC)[C@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558172 169152954 /nfs/dbraw/zinc/15/29/54/169152954.db2.gz JTBXVBARIKFFNQ-ILXRZTDVSA-N 1 0 241.419 3.294 10 0 BGAERO CCC[NH+](CCC)[C@@H]1C[C@@H](C(C)C)CC[C@@H]1O ZINC000054558173 169151290 /nfs/dbraw/zinc/15/12/90/169151290.db2.gz JTBXVBARIKFFNQ-ZNMIVQPWSA-N 1 0 241.419 3.294 10 0 BGAERO CCC[NH+](CCC)[C@H]1C[C@@H](C(C)C)CC[C@@H]1O ZINC000054558174 169152375 /nfs/dbraw/zinc/15/23/75/169152375.db2.gz JTBXVBARIKFFNQ-KKUMJFAQSA-N 1 0 241.419 3.294 10 0 BGAERO CCC[N@H+](C(C)C)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558211 169049194 /nfs/dbraw/zinc/04/91/94/169049194.db2.gz MIWWRQCEWHDTOX-KFWWJZLASA-N 1 0 241.419 3.292 10 0 BGAERO CCC[N@H+](C1CC1)[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054558237 169091569 /nfs/dbraw/zinc/09/15/69/169091569.db2.gz KMKDMXAXCHYUNK-YUELXQCFSA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@@H]1CCC(=O)[C@H](C[NH+]2CCCCC2)C1 ZINC000054558885 167466064 /nfs/dbraw/zinc/46/60/64/167466064.db2.gz BCSRYNJFZCGBNX-KGLIPLIRSA-N 1 0 237.387 3.114 10 0 BGAERO CC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CCC1=O ZINC000054558950 171307888 /nfs/dbraw/zinc/30/78/88/171307888.db2.gz MUSVDMPFAMPUKK-MJBXVCDLSA-N 1 0 239.403 3.358 10 0 BGAERO CC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](C(C)C)CC[C@@H]1O ZINC000054560945 171308284 /nfs/dbraw/zinc/30/82/84/171308284.db2.gz PEQBJWLGYVMWJU-XGUBFFRZSA-N 1 0 241.419 3.150 10 0 BGAERO [NH3+]C[C@H]1C[C@H]1c1ccc(-c2ccccc2)cc1 ZINC000054561865 181468519 /nfs/dbraw/zinc/46/85/19/181468519.db2.gz PDSBAPCPMZZIMU-CVEARBPZSA-N 1 0 223.319 3.416 10 0 BGAERO [NH3+]C[C@H]1C[C@@H]1c1ccc(-c2ccccc2)cc1 ZINC000054561866 181467767 /nfs/dbraw/zinc/46/77/67/181467767.db2.gz PDSBAPCPMZZIMU-HZPDHXFCSA-N 1 0 223.319 3.416 10 0 BGAERO [NH3+]C[C@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000054587046 181468250 /nfs/dbraw/zinc/46/82/50/181468250.db2.gz USMZFROIDGGGNG-RNFRBKRXSA-N 1 0 216.111 3.056 10 0 BGAERO [NH3+]C[C@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000054587047 398281976 /nfs/dbraw/zinc/28/19/76/398281976.db2.gz USMZFROIDGGGNG-RQJHMYQMSA-N 1 0 216.111 3.056 10 0 BGAERO [NH3+]C[C@@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000054587049 388594310 /nfs/dbraw/zinc/59/43/10/388594310.db2.gz USMZFROIDGGGNG-NKWVEPMBSA-N 1 0 216.111 3.056 10 0 BGAERO [NH3+]C[C@@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000054587051 388593858 /nfs/dbraw/zinc/59/38/58/388593858.db2.gz USMZFROIDGGGNG-BQBZGAKWSA-N 1 0 216.111 3.056 10 0 BGAERO C[C@]1(c2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000054587282 350683425 /nfs/dbraw/zinc/68/34/25/350683425.db2.gz CEKIXVBSMMJJCJ-HQJQHLMTSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@]1(c2ccc(Cl)cc2Cl)C[C@@H]1C[NH3+] ZINC000054587284 350683574 /nfs/dbraw/zinc/68/35/74/350683574.db2.gz CEKIXVBSMMJJCJ-RDDDGLTNSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@]1(c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000054587286 350683148 /nfs/dbraw/zinc/68/31/48/350683148.db2.gz CEKIXVBSMMJJCJ-CPCISQLKSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@]1(c2ccc(Cl)cc2Cl)C[C@H]1C[NH3+] ZINC000054587288 350683188 /nfs/dbraw/zinc/68/31/88/350683188.db2.gz CEKIXVBSMMJJCJ-WRWORJQWSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000054587372 350683111 /nfs/dbraw/zinc/68/31/11/350683111.db2.gz VOUMFQZFLWOFSA-LDYMZIIASA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000054587374 350683548 /nfs/dbraw/zinc/68/35/48/350683548.db2.gz VOUMFQZFLWOFSA-KCJUWKMLSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000054587377 350683643 /nfs/dbraw/zinc/68/36/43/350683643.db2.gz VOUMFQZFLWOFSA-GZMMTYOYSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@]1(c2ccc(Cl)c(Cl)c2)C[C@H]1C[NH3+] ZINC000054587378 350683705 /nfs/dbraw/zinc/68/37/05/350683705.db2.gz VOUMFQZFLWOFSA-KWQFWETISA-N 1 0 230.138 3.230 10 0 BGAERO CC(C)c1ccc([C@@]2(C)C[C@@H]2C[NH3+])cc1 ZINC000054587477 167616558 /nfs/dbraw/zinc/61/65/58/167616558.db2.gz OXCIPRYXSXJKFE-ZIAGYGMSSA-N 1 0 203.329 3.046 10 0 BGAERO CC(C)c1ccc([C@]2(C)C[C@H]2C[NH3+])cc1 ZINC000054587479 167622569 /nfs/dbraw/zinc/62/25/69/167622569.db2.gz OXCIPRYXSXJKFE-KBPBESRZSA-N 1 0 203.329 3.046 10 0 BGAERO CC(C)c1ccc([C@@]2(C)C[C@H]2C[NH3+])cc1 ZINC000054587481 167617594 /nfs/dbraw/zinc/61/75/94/167617594.db2.gz OXCIPRYXSXJKFE-UONOGXRCSA-N 1 0 203.329 3.046 10 0 BGAERO C[C@]1(c2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000054588059 369078747 /nfs/dbraw/zinc/07/87/47/369078747.db2.gz DOLCVDCRZUWKFX-HQJQHLMTSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@]1(c2cc(Cl)ccc2Cl)C[C@@H]1C[NH3+] ZINC000054588060 369078432 /nfs/dbraw/zinc/07/84/32/369078432.db2.gz DOLCVDCRZUWKFX-RDDDGLTNSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@]1(c2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000054588062 369078511 /nfs/dbraw/zinc/07/85/11/369078511.db2.gz DOLCVDCRZUWKFX-CPCISQLKSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@]1(c2cc(Cl)ccc2Cl)C[C@H]1C[NH3+] ZINC000054588064 369078823 /nfs/dbraw/zinc/07/88/23/369078823.db2.gz DOLCVDCRZUWKFX-WRWORJQWSA-N 1 0 230.138 3.230 10 0 BGAERO C[NH2+]C[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000054588359 173382764 /nfs/dbraw/zinc/38/27/64/173382764.db2.gz JZSGHRUFVNNADZ-OCCSQVGLSA-N 1 0 217.356 3.307 10 0 BGAERO C[NH2+]C[C@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000054588360 173382531 /nfs/dbraw/zinc/38/25/31/173382531.db2.gz JZSGHRUFVNNADZ-TZMCWYRMSA-N 1 0 217.356 3.307 10 0 BGAERO C[NH2+]C[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000054588361 173372548 /nfs/dbraw/zinc/37/25/48/173372548.db2.gz JZSGHRUFVNNADZ-JSGCOSHPSA-N 1 0 217.356 3.307 10 0 BGAERO C[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000054588363 173371806 /nfs/dbraw/zinc/37/18/06/173371806.db2.gz JZSGHRUFVNNADZ-GXTWGEPZSA-N 1 0 217.356 3.307 10 0 BGAERO C[NH2+]C[C@@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000054588988 173371653 /nfs/dbraw/zinc/37/16/53/173371653.db2.gz GCPNCNGUJAWDDL-YUMQZZPRSA-N 1 0 230.138 3.316 10 0 BGAERO C[NH2+]C[C@H]1C[C@@H]1c1c(Cl)cccc1Cl ZINC000054588989 173382948 /nfs/dbraw/zinc/38/29/48/173382948.db2.gz GCPNCNGUJAWDDL-SFYZADRCSA-N 1 0 230.138 3.316 10 0 BGAERO C[NH2+]C[C@@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000054588991 173372441 /nfs/dbraw/zinc/37/24/41/173372441.db2.gz GCPNCNGUJAWDDL-JGVFFNPUSA-N 1 0 230.138 3.316 10 0 BGAERO C[NH2+]C[C@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000054588993 173382791 /nfs/dbraw/zinc/38/27/91/173382791.db2.gz GCPNCNGUJAWDDL-HTQZYQBOSA-N 1 0 230.138 3.316 10 0 BGAERO C[NH2+]C[C@H]1C[C@@]1(C)c1ccc(CC(C)C)cc1 ZINC000054589458 173382873 /nfs/dbraw/zinc/38/28/73/173382873.db2.gz DJCIQCOKLSTFLV-CVEARBPZSA-N 1 0 231.383 3.382 10 0 BGAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccc(CC(C)C)cc1 ZINC000054589460 173383186 /nfs/dbraw/zinc/38/31/86/173383186.db2.gz DJCIQCOKLSTFLV-HZPDHXFCSA-N 1 0 231.383 3.382 10 0 BGAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(CC(C)C)cc1 ZINC000054589462 173371393 /nfs/dbraw/zinc/37/13/93/173371393.db2.gz DJCIQCOKLSTFLV-HOTGVXAUSA-N 1 0 231.383 3.382 10 0 BGAERO C[NH2+]C[C@@H]1C[C@]1(C)c1ccc(CC(C)C)cc1 ZINC000054589463 173372798 /nfs/dbraw/zinc/37/27/98/173372798.db2.gz DJCIQCOKLSTFLV-JKSUJKDBSA-N 1 0 231.383 3.382 10 0 BGAERO C[NH2+]C[C@H]1C[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000054589988 173383290 /nfs/dbraw/zinc/38/32/90/173383290.db2.gz NTRGMIKMVBSAIX-VXGBXAGGSA-N 1 0 243.272 3.202 10 0 BGAERO C[NH2+]C[C@H]1C[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000054589990 173382965 /nfs/dbraw/zinc/38/29/65/173382965.db2.gz NTRGMIKMVBSAIX-NEPJUHHUSA-N 1 0 243.272 3.202 10 0 BGAERO C[NH2+]C[C@@H]1C[C@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000054589992 173372764 /nfs/dbraw/zinc/37/27/64/173372764.db2.gz NTRGMIKMVBSAIX-NWDGAFQWSA-N 1 0 243.272 3.202 10 0 BGAERO C[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(C(F)(F)F)cc1 ZINC000054589993 173371678 /nfs/dbraw/zinc/37/16/78/173371678.db2.gz NTRGMIKMVBSAIX-RYUDHWBXSA-N 1 0 243.272 3.202 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000054590407 170121197 /nfs/dbraw/zinc/12/11/97/170121197.db2.gz RGQLJBSMZGDCSG-CMPLNLGQSA-N 1 0 209.720 3.053 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000054590410 170121120 /nfs/dbraw/zinc/12/11/20/170121120.db2.gz RGQLJBSMZGDCSG-JQWIXIFHSA-N 1 0 209.720 3.053 10 0 BGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000054590412 170123802 /nfs/dbraw/zinc/12/38/02/170123802.db2.gz RGQLJBSMZGDCSG-PWSUYJOCSA-N 1 0 209.720 3.053 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000054590422 170120991 /nfs/dbraw/zinc/12/09/91/170120991.db2.gz OLQXXVFDQRQZKK-CMPLNLGQSA-N 1 0 243.272 3.418 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000054590424 170123385 /nfs/dbraw/zinc/12/33/85/170123385.db2.gz OLQXXVFDQRQZKK-ZYHUDNBSSA-N 1 0 243.272 3.418 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000054590425 170120906 /nfs/dbraw/zinc/12/09/06/170120906.db2.gz OLQXXVFDQRQZKK-JQWIXIFHSA-N 1 0 243.272 3.418 10 0 BGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000054590427 170123264 /nfs/dbraw/zinc/12/32/64/170123264.db2.gz OLQXXVFDQRQZKK-PWSUYJOCSA-N 1 0 243.272 3.418 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054590559 170120960 /nfs/dbraw/zinc/12/09/60/170120960.db2.gz OJAJVBSDEGAPIW-CMPLNLGQSA-N 1 0 241.281 3.001 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(OC(F)F)cc1 ZINC000054590561 170123706 /nfs/dbraw/zinc/12/37/06/170123706.db2.gz OJAJVBSDEGAPIW-ZYHUDNBSSA-N 1 0 241.281 3.001 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000054590563 170120812 /nfs/dbraw/zinc/12/08/12/170120812.db2.gz OJAJVBSDEGAPIW-JQWIXIFHSA-N 1 0 241.281 3.001 10 0 BGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(OC(F)F)cc1 ZINC000054590565 170123296 /nfs/dbraw/zinc/12/32/96/170123296.db2.gz OJAJVBSDEGAPIW-PWSUYJOCSA-N 1 0 241.281 3.001 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1Cl ZINC000054590603 170121219 /nfs/dbraw/zinc/12/12/19/170121219.db2.gz GJPOSXXNPOMVCK-ONGXEEELSA-N 1 0 209.720 3.053 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccccc1Cl ZINC000054590605 170123522 /nfs/dbraw/zinc/12/35/22/170123522.db2.gz GJPOSXXNPOMVCK-KOLCDFICSA-N 1 0 209.720 3.053 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccccc1Cl ZINC000054590607 170120784 /nfs/dbraw/zinc/12/07/84/170120784.db2.gz GJPOSXXNPOMVCK-GXSJLCMTSA-N 1 0 209.720 3.053 10 0 BGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccccc1Cl ZINC000054590609 170123845 /nfs/dbraw/zinc/12/38/45/170123845.db2.gz GJPOSXXNPOMVCK-MWLCHTKSSA-N 1 0 209.720 3.053 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C)c(C)c1 ZINC000054590743 170120780 /nfs/dbraw/zinc/12/07/80/170120780.db2.gz JNSCPVWSYIRVHN-UONOGXRCSA-N 1 0 203.329 3.016 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(C)c(C)c1 ZINC000054590745 170123563 /nfs/dbraw/zinc/12/35/63/170123563.db2.gz JNSCPVWSYIRVHN-ZIAGYGMSSA-N 1 0 203.329 3.016 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000054590747 170120692 /nfs/dbraw/zinc/12/06/92/170120692.db2.gz JNSCPVWSYIRVHN-KBPBESRZSA-N 1 0 203.329 3.016 10 0 BGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(C)c(C)c1 ZINC000054590749 170123850 /nfs/dbraw/zinc/12/38/50/170123850.db2.gz JNSCPVWSYIRVHN-KGLIPLIRSA-N 1 0 203.329 3.016 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000054590845 170121267 /nfs/dbraw/zinc/12/12/67/170121267.db2.gz MQAPSCYFXAICIU-YUMQZZPRSA-N 1 0 215.749 3.115 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000054590847 170123321 /nfs/dbraw/zinc/12/33/21/170123321.db2.gz MQAPSCYFXAICIU-SFYZADRCSA-N 1 0 215.749 3.115 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000054590849 170120698 /nfs/dbraw/zinc/12/06/98/170120698.db2.gz MQAPSCYFXAICIU-JGVFFNPUSA-N 1 0 215.749 3.115 10 0 BGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000054590851 170123680 /nfs/dbraw/zinc/12/36/80/170123680.db2.gz MQAPSCYFXAICIU-HTQZYQBOSA-N 1 0 215.749 3.115 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000054590953 170121317 /nfs/dbraw/zinc/12/13/17/170121317.db2.gz ULHZETIDBHZWKY-DZGCQCFKSA-N 1 0 233.355 3.187 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000054590955 170123536 /nfs/dbraw/zinc/12/35/36/170123536.db2.gz ULHZETIDBHZWKY-UKRRQHHQSA-N 1 0 233.355 3.187 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@H]1c1ccc(OC(C)C)cc1 ZINC000054590957 170120925 /nfs/dbraw/zinc/12/09/25/170120925.db2.gz ULHZETIDBHZWKY-ZFWWWQNUSA-N 1 0 233.355 3.187 10 0 BGAERO CC[NH2+]C[C@H]1C[C@H]1c1ccc(OC(C)C)cc1 ZINC000054590958 170123401 /nfs/dbraw/zinc/12/34/01/170123401.db2.gz ULHZETIDBHZWKY-HIFRSBDPSA-N 1 0 233.355 3.187 10 0 BGAERO CCCOc1cccc([C@@H]2C[C@@H]2C[NH2+]CC)c1 ZINC000054591082 169325616 /nfs/dbraw/zinc/32/56/16/169325616.db2.gz BYQQVGOHRLXRQK-HIFRSBDPSA-N 1 0 233.355 3.188 10 0 BGAERO CCCOc1cccc([C@H]2C[C@@H]2C[NH2+]CC)c1 ZINC000054591084 169325838 /nfs/dbraw/zinc/32/58/38/169325838.db2.gz BYQQVGOHRLXRQK-UKRRQHHQSA-N 1 0 233.355 3.188 10 0 BGAERO CCCOc1cccc([C@@H]2C[C@H]2C[NH2+]CC)c1 ZINC000054591087 169326194 /nfs/dbraw/zinc/32/61/94/169326194.db2.gz BYQQVGOHRLXRQK-ZFWWWQNUSA-N 1 0 233.355 3.188 10 0 BGAERO CCCOc1cccc([C@H]2C[C@H]2C[NH2+]CC)c1 ZINC000054591088 169325722 /nfs/dbraw/zinc/32/57/22/169325722.db2.gz BYQQVGOHRLXRQK-DZGCQCFKSA-N 1 0 233.355 3.188 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@]12CCSc1ccccc12 ZINC000054591383 170120999 /nfs/dbraw/zinc/12/09/99/170120999.db2.gz FAPOQALUSMTZAB-FZMZJTMJSA-N 1 0 233.380 3.050 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@]12CCSc1ccccc12 ZINC000054591385 170123846 /nfs/dbraw/zinc/12/38/46/170123846.db2.gz FAPOQALUSMTZAB-RISCZKNCSA-N 1 0 233.380 3.050 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@]12CCSc1ccccc12 ZINC000054591387 170120633 /nfs/dbraw/zinc/12/06/33/170120633.db2.gz FAPOQALUSMTZAB-SMDDNHRTSA-N 1 0 233.380 3.050 10 0 BGAERO CC[NH2+]C[C@H]1C[C@]12CCSc1ccccc12 ZINC000054591389 170123284 /nfs/dbraw/zinc/12/32/84/170123284.db2.gz FAPOQALUSMTZAB-BXUZGUMPSA-N 1 0 233.380 3.050 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(Cl)s1 ZINC000054591621 170120949 /nfs/dbraw/zinc/12/09/49/170120949.db2.gz VHRFBZWRMBXCIH-GZMMTYOYSA-N 1 0 229.776 3.289 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(Cl)s1 ZINC000054591623 170123518 /nfs/dbraw/zinc/12/35/18/170123518.db2.gz VHRFBZWRMBXCIH-LDYMZIIASA-N 1 0 229.776 3.289 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(Cl)s1 ZINC000054591625 170121377 /nfs/dbraw/zinc/12/13/77/170121377.db2.gz VHRFBZWRMBXCIH-KWQFWETISA-N 1 0 229.776 3.289 10 0 BGAERO CC[NH2+]C[C@H]1C[C@]1(C)c1ccc(Cl)s1 ZINC000054591627 170123282 /nfs/dbraw/zinc/12/32/82/170123282.db2.gz VHRFBZWRMBXCIH-KCJUWKMLSA-N 1 0 229.776 3.289 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@@H]1c1cc(C)sc1C ZINC000054592133 170120715 /nfs/dbraw/zinc/12/07/15/170120715.db2.gz OZECBMJNNYYSNM-JQWIXIFHSA-N 1 0 209.358 3.078 10 0 BGAERO CC[NH2+]C[C@H]1C[C@@H]1c1cc(C)sc1C ZINC000054592135 170123415 /nfs/dbraw/zinc/12/34/15/170123415.db2.gz OZECBMJNNYYSNM-PWSUYJOCSA-N 1 0 209.358 3.078 10 0 BGAERO CC[NH2+]C[C@@H]1C[C@H]1c1cc(C)sc1C ZINC000054592137 170120808 /nfs/dbraw/zinc/12/08/08/170120808.db2.gz OZECBMJNNYYSNM-CMPLNLGQSA-N 1 0 209.358 3.078 10 0 BGAERO CC[NH2+]C[C@H]1C[C@H]1c1cc(C)sc1C ZINC000054592139 170123774 /nfs/dbraw/zinc/12/37/74/170123774.db2.gz OZECBMJNNYYSNM-ZYHUDNBSSA-N 1 0 209.358 3.078 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(CC)cc1 ZINC000054592187 169262022 /nfs/dbraw/zinc/26/20/22/169262022.db2.gz DUFPJQCQYKJNKJ-LSDHHAIUSA-N 1 0 217.356 3.352 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@H]1c1ccc(CC)cc1 ZINC000054592189 169264661 /nfs/dbraw/zinc/26/46/61/169264661.db2.gz DUFPJQCQYKJNKJ-HUUCEWRRSA-N 1 0 217.356 3.352 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@H]1c1ccc(CC)cc1 ZINC000054592191 169263485 /nfs/dbraw/zinc/26/34/85/169263485.db2.gz DUFPJQCQYKJNKJ-GJZGRUSLSA-N 1 0 217.356 3.352 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@H]1c1ccc(CC)cc1 ZINC000054592192 169264520 /nfs/dbraw/zinc/26/45/20/169264520.db2.gz DUFPJQCQYKJNKJ-CABCVRRESA-N 1 0 217.356 3.352 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@]1(C)c1ccc(OCC)cc1 ZINC000054593279 169262426 /nfs/dbraw/zinc/26/24/26/169262426.db2.gz IUOZUUUQKXGFTO-HOCLYGCPSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@]1(C)c1ccc(OCC)cc1 ZINC000054593281 169265024 /nfs/dbraw/zinc/26/50/24/169265024.db2.gz IUOZUUUQKXGFTO-ZBFHGGJFSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1ccc(OCC)cc1 ZINC000054593283 169263767 /nfs/dbraw/zinc/26/37/67/169263767.db2.gz IUOZUUUQKXGFTO-GOEBONIOSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@]1(C)c1ccc(OCC)cc1 ZINC000054593285 169264739 /nfs/dbraw/zinc/26/47/39/169264739.db2.gz IUOZUUUQKXGFTO-GDBMZVCRSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@]1(CC)c1ccc(OC)cc1 ZINC000054593428 169263227 /nfs/dbraw/zinc/26/32/27/169263227.db2.gz KOFJPMZLXYHBDC-HOCLYGCPSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@]1(CC)c1ccc(OC)cc1 ZINC000054593431 169264749 /nfs/dbraw/zinc/26/47/49/169264749.db2.gz KOFJPMZLXYHBDC-ZBFHGGJFSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@]1(CC)c1ccc(OC)cc1 ZINC000054593433 169263167 /nfs/dbraw/zinc/26/31/67/169263167.db2.gz KOFJPMZLXYHBDC-GOEBONIOSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@]1(CC)c1ccc(OC)cc1 ZINC000054593435 169264512 /nfs/dbraw/zinc/26/45/12/169264512.db2.gz KOFJPMZLXYHBDC-GDBMZVCRSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@]12CCc1ccccc1C2 ZINC000054593549 169264034 /nfs/dbraw/zinc/26/40/34/169264034.db2.gz WWGPNCQKUPNNFM-HOTGVXAUSA-N 1 0 229.367 3.181 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@]12CCc1ccccc1C2 ZINC000054593553 169264994 /nfs/dbraw/zinc/26/49/94/169264994.db2.gz WWGPNCQKUPNNFM-CVEARBPZSA-N 1 0 229.367 3.181 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@]12CCc1ccccc1C2 ZINC000054593557 169263908 /nfs/dbraw/zinc/26/39/08/169263908.db2.gz WWGPNCQKUPNNFM-JKSUJKDBSA-N 1 0 229.367 3.181 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@]12CCc1ccccc1C2 ZINC000054593560 169264728 /nfs/dbraw/zinc/26/47/28/169264728.db2.gz WWGPNCQKUPNNFM-HZPDHXFCSA-N 1 0 229.367 3.181 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@]1(C)c1cc(F)ccc1F ZINC000054593652 169262851 /nfs/dbraw/zinc/26/28/51/169262851.db2.gz GBQSUAKDRZKRNB-IINYFYTJSA-N 1 0 239.309 3.242 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@]1(C)c1cc(F)ccc1F ZINC000054593654 169264485 /nfs/dbraw/zinc/26/44/85/169264485.db2.gz GBQSUAKDRZKRNB-QMTHXVAHSA-N 1 0 239.309 3.242 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@]1(C)c1cc(F)ccc1F ZINC000054593656 169263977 /nfs/dbraw/zinc/26/39/77/169263977.db2.gz GBQSUAKDRZKRNB-HZMBPMFUSA-N 1 0 239.309 3.242 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@]1(C)c1cc(F)ccc1F ZINC000054593658 169264633 /nfs/dbraw/zinc/26/46/33/169264633.db2.gz GBQSUAKDRZKRNB-YGRLFVJLSA-N 1 0 239.309 3.242 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@]1(CC)c1ccc(F)cc1 ZINC000054593857 169263834 /nfs/dbraw/zinc/26/38/34/169263834.db2.gz RGJJUZUWCYXBCM-ZFWWWQNUSA-N 1 0 235.346 3.493 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@]1(CC)c1ccc(F)cc1 ZINC000054593859 169264801 /nfs/dbraw/zinc/26/48/01/169264801.db2.gz RGJJUZUWCYXBCM-HIFRSBDPSA-N 1 0 235.346 3.493 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@]1(CC)c1ccc(F)cc1 ZINC000054593860 169263646 /nfs/dbraw/zinc/26/36/46/169263646.db2.gz RGJJUZUWCYXBCM-DZGCQCFKSA-N 1 0 235.346 3.493 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@]1(CC)c1ccc(F)cc1 ZINC000054593861 169264692 /nfs/dbraw/zinc/26/46/92/169264692.db2.gz RGJJUZUWCYXBCM-UKRRQHHQSA-N 1 0 235.346 3.493 10 0 BGAERO Cc1ccc([C@H]2C[C@@H]2C[NH2+]C(C)C)s1 ZINC000054594632 178924048 /nfs/dbraw/zinc/92/40/48/178924048.db2.gz NKRXTVYXXKRXJS-MNOVXSKESA-N 1 0 209.358 3.158 10 0 BGAERO Cc1ccc([C@@H]2C[C@H]2C[NH2+]C(C)C)s1 ZINC000054594634 178876377 /nfs/dbraw/zinc/87/63/77/178876377.db2.gz NKRXTVYXXKRXJS-WDEREUQCSA-N 1 0 209.358 3.158 10 0 BGAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1c(F)cccc1F ZINC000054594958 167112981 /nfs/dbraw/zinc/11/29/81/167112981.db2.gz JURMIDCCZBOFGL-IINYFYTJSA-N 1 0 239.309 3.240 10 0 BGAERO CC(C)[NH2+]C[C@H]1C[C@@]1(C)c1c(F)cccc1F ZINC000054594960 167117084 /nfs/dbraw/zinc/11/70/84/167117084.db2.gz JURMIDCCZBOFGL-QMTHXVAHSA-N 1 0 239.309 3.240 10 0 BGAERO CC(C)[NH2+]C[C@@H]1C[C@]1(C)c1c(F)cccc1F ZINC000054594962 167113453 /nfs/dbraw/zinc/11/34/53/167113453.db2.gz JURMIDCCZBOFGL-HZMBPMFUSA-N 1 0 239.309 3.240 10 0 BGAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1c(F)cccc1F ZINC000054594963 167117042 /nfs/dbraw/zinc/11/70/42/167117042.db2.gz JURMIDCCZBOFGL-YGRLFVJLSA-N 1 0 239.309 3.240 10 0 BGAERO CC(C)[NH2+]C[C@@H]1C[C@@]1(C)c1ccsc1 ZINC000054595360 167114238 /nfs/dbraw/zinc/11/42/38/167114238.db2.gz LKJLFNWDRUHVMA-RYUDHWBXSA-N 1 0 209.358 3.024 10 0 BGAERO CC(C)[NH2+]C[C@H]1C[C@@]1(C)c1ccsc1 ZINC000054595361 167117095 /nfs/dbraw/zinc/11/70/95/167117095.db2.gz LKJLFNWDRUHVMA-NEPJUHHUSA-N 1 0 209.358 3.024 10 0 BGAERO CC(C)[NH2+]C[C@@H]1C[C@]1(C)c1ccsc1 ZINC000054595362 167113892 /nfs/dbraw/zinc/11/38/92/167113892.db2.gz LKJLFNWDRUHVMA-NWDGAFQWSA-N 1 0 209.358 3.024 10 0 BGAERO CC(C)[NH2+]C[C@H]1C[C@]1(C)c1ccsc1 ZINC000054595363 167116105 /nfs/dbraw/zinc/11/61/05/167116105.db2.gz LKJLFNWDRUHVMA-VXGBXAGGSA-N 1 0 209.358 3.024 10 0 BGAERO Cc1cc([C@]2(C)C[C@@H]2C[NH2+]C(C)C)c(C)o1 ZINC000054595452 178270220 /nfs/dbraw/zinc/27/02/20/178270220.db2.gz MDGWZKRWOBODNW-TZMCWYRMSA-N 1 0 221.344 3.172 10 0 BGAERO Cc1cc([C@@]2(C)C[C@@H]2C[NH2+]C(C)C)c(C)o1 ZINC000054595453 178244470 /nfs/dbraw/zinc/24/44/70/178244470.db2.gz MDGWZKRWOBODNW-OCCSQVGLSA-N 1 0 221.344 3.172 10 0 BGAERO Cc1cc([C@]2(C)C[C@H]2C[NH2+]C(C)C)c(C)o1 ZINC000054595454 178270068 /nfs/dbraw/zinc/27/00/68/178270068.db2.gz MDGWZKRWOBODNW-GXTWGEPZSA-N 1 0 221.344 3.172 10 0 BGAERO Cc1cc([C@@]2(C)C[C@H]2C[NH2+]C(C)C)c(C)o1 ZINC000054595455 178244562 /nfs/dbraw/zinc/24/45/62/178244562.db2.gz MDGWZKRWOBODNW-JSGCOSHPSA-N 1 0 221.344 3.172 10 0 BGAERO Cc1cc([C@@H]2C[C@@H]2C[NH2+]C(C)C)c(C)s1 ZINC000054595582 178243288 /nfs/dbraw/zinc/24/32/88/178243288.db2.gz ADURUAAHJKSEIR-DGCLKSJQSA-N 1 0 223.385 3.466 10 0 BGAERO Cc1cc([C@H]2C[C@@H]2C[NH2+]C(C)C)c(C)s1 ZINC000054595583 178269035 /nfs/dbraw/zinc/26/90/35/178269035.db2.gz ADURUAAHJKSEIR-YPMHNXCESA-N 1 0 223.385 3.466 10 0 BGAERO Cc1cc([C@@H]2C[C@H]2C[NH2+]C(C)C)c(C)s1 ZINC000054595584 178242818 /nfs/dbraw/zinc/24/28/18/178242818.db2.gz ADURUAAHJKSEIR-WCQYABFASA-N 1 0 223.385 3.466 10 0 BGAERO Cc1cc([C@H]2C[C@H]2C[NH2+]C(C)C)c(C)s1 ZINC000054595585 178268510 /nfs/dbraw/zinc/26/85/10/178268510.db2.gz ADURUAAHJKSEIR-AAEUAGOBSA-N 1 0 223.385 3.466 10 0 BGAERO CCc1ccc([C@@H]2C[C@H]2C[NH2+]C2CC2)cc1 ZINC000054595612 171837042 /nfs/dbraw/zinc/83/70/42/171837042.db2.gz POSUYCXYFKMTQU-ZFWWWQNUSA-N 1 0 215.340 3.105 10 0 BGAERO Cc1ccc([C@@H]2C[C@H]2C[NH2+]C2CC2)cc1C ZINC000054595880 178877574 /nfs/dbraw/zinc/87/75/74/178877574.db2.gz IPARCLZHDFLGPS-ZFWWWQNUSA-N 1 0 215.340 3.159 10 0 BGAERO CCCOc1ccc([C@H]2C[C@H]2C[NH2+]C2CC2)cc1 ZINC000054596045 169322338 /nfs/dbraw/zinc/32/23/38/169322338.db2.gz GYNZCSBTXAXQJP-XJKSGUPXSA-N 1 0 245.366 3.331 10 0 BGAERO c1ccc2c(c1)CCC[C@@]21C[C@@H]1C[NH2+]C1CC1 ZINC000054596136 183441945 /nfs/dbraw/zinc/44/19/45/183441945.db2.gz KHGJEQOBPGRYPH-CJNGLKHVSA-N 1 0 227.351 3.033 10 0 BGAERO c1ccc2c(c1)CCC[C@]21C[C@@H]1C[NH2+]C1CC1 ZINC000054596137 183443285 /nfs/dbraw/zinc/44/32/85/183443285.db2.gz KHGJEQOBPGRYPH-CZUORRHYSA-N 1 0 227.351 3.033 10 0 BGAERO c1ccc2c(c1)SCC[C@@]21C[C@@H]1C[NH2+]C1CC1 ZINC000054596202 183453720 /nfs/dbraw/zinc/45/37/20/183453720.db2.gz DFXQHSZUAXPLLL-ABAIWWIYSA-N 1 0 245.391 3.192 10 0 BGAERO CC[C@@]1(c2ccc(C)cc2)C[C@@H]1C[NH2+]C1CC1 ZINC000054596275 171216077 /nfs/dbraw/zinc/21/60/77/171216077.db2.gz AQBJOEBQKRHTCZ-ZBFHGGJFSA-N 1 0 229.367 3.415 10 0 BGAERO CC[C@@]1(c2ccc(C)cc2)C[C@H]1C[NH2+]C1CC1 ZINC000054596277 171215548 /nfs/dbraw/zinc/21/55/48/171215548.db2.gz AQBJOEBQKRHTCZ-HOCLYGCPSA-N 1 0 229.367 3.415 10 0 BGAERO CC[C@@]1(c2ccc(OC)cc2)C[C@@H]1C[NH2+]C1CC1 ZINC000054596279 171217058 /nfs/dbraw/zinc/21/70/58/171217058.db2.gz AAFLQXNCSLDROR-CJNGLKHVSA-N 1 0 245.366 3.115 10 0 BGAERO CC[C@@]1(c2ccc(OC)cc2)C[C@H]1C[NH2+]C1CC1 ZINC000054596281 171216883 /nfs/dbraw/zinc/21/68/83/171216883.db2.gz AAFLQXNCSLDROR-BBRMVZONSA-N 1 0 245.366 3.115 10 0 BGAERO COc1ccccc1C[C@@]1(C)C[C@@H]1C[NH2+]C1CC1 ZINC000054596346 175332863 /nfs/dbraw/zinc/33/28/63/175332863.db2.gz OFXJTVLHPJDSRP-CJNGLKHVSA-N 1 0 245.366 3.016 10 0 BGAERO COc1ccccc1C[C@]1(C)C[C@@H]1C[NH2+]C1CC1 ZINC000054596347 175333652 /nfs/dbraw/zinc/33/36/52/175333652.db2.gz OFXJTVLHPJDSRP-CZUORRHYSA-N 1 0 245.366 3.016 10 0 BGAERO COc1ccccc1C[C@@]1(C)C[C@H]1C[NH2+]C1CC1 ZINC000054596348 175333158 /nfs/dbraw/zinc/33/31/58/175333158.db2.gz OFXJTVLHPJDSRP-BBRMVZONSA-N 1 0 245.366 3.016 10 0 BGAERO COc1ccccc1C[C@]1(C)C[C@H]1C[NH2+]C1CC1 ZINC000054596349 175334121 /nfs/dbraw/zinc/33/41/21/175334121.db2.gz OFXJTVLHPJDSRP-XJKSGUPXSA-N 1 0 245.366 3.016 10 0 BGAERO CC[C@@]1(c2cccs2)C[C@@H]1C[NH2+]C1CC1 ZINC000054596367 171216177 /nfs/dbraw/zinc/21/61/77/171216177.db2.gz ITJDTCZCCWGFIU-ZWNOBZJWSA-N 1 0 221.369 3.168 10 0 BGAERO CC[C@@]1(c2cccs2)C[C@H]1C[NH2+]C1CC1 ZINC000054596369 171216227 /nfs/dbraw/zinc/21/62/27/171216227.db2.gz ITJDTCZCCWGFIU-GXFFZTMASA-N 1 0 221.369 3.168 10 0 BGAERO CC(C)Oc1cccc([C@@H]2C[C@@H]2C[NH2+]C2CC2)c1 ZINC000054596560 167308219 /nfs/dbraw/zinc/30/82/19/167308219.db2.gz JOWCBCHNXOSMRT-CJNGLKHVSA-N 1 0 245.366 3.329 10 0 BGAERO CC(C)Oc1cccc([C@H]2C[C@H]2C[NH2+]C2CC2)c1 ZINC000054596563 167308529 /nfs/dbraw/zinc/30/85/29/167308529.db2.gz JOWCBCHNXOSMRT-XJKSGUPXSA-N 1 0 245.366 3.329 10 0 BGAERO CC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1ccsc1 ZINC000054596601 166633638 /nfs/dbraw/zinc/63/36/38/166633638.db2.gz QCSZXXJVIGMAKY-GHMZBOCLSA-N 1 0 209.358 3.240 10 0 BGAERO CC(C)(C)[NH2+]C[C@@H]1C[C@H]1c1ccsc1 ZINC000054596602 166634121 /nfs/dbraw/zinc/63/41/21/166634121.db2.gz QCSZXXJVIGMAKY-QWRGUYRKSA-N 1 0 209.358 3.240 10 0 BGAERO CC(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccsc1 ZINC000054596603 166634039 /nfs/dbraw/zinc/63/40/39/166634039.db2.gz QCSZXXJVIGMAKY-MNOVXSKESA-N 1 0 209.358 3.240 10 0 BGAERO CC(C)(C)[NH2+]C[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054596757 637036172 /nfs/dbraw/zinc/03/61/72/637036172.db2.gz DZKCUUSSNSNNCO-WCQYABFASA-N 1 0 221.319 3.317 10 0 BGAERO CC(C)(C)[NH2+]C[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054596758 637035066 /nfs/dbraw/zinc/03/50/66/637035066.db2.gz DZKCUUSSNSNNCO-DGCLKSJQSA-N 1 0 221.319 3.317 10 0 BGAERO CC(C)(C)[NH2+]C[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000054596759 637035812 /nfs/dbraw/zinc/03/58/12/637035812.db2.gz DZKCUUSSNSNNCO-AAEUAGOBSA-N 1 0 221.319 3.317 10 0 BGAERO CC(C)(C)[NH2+]C[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000054596760 637035013 /nfs/dbraw/zinc/03/50/13/637035013.db2.gz DZKCUUSSNSNNCO-YPMHNXCESA-N 1 0 221.319 3.317 10 0 BGAERO CC(C)(C)[NH2+]C[C@H]1C[C@H]1c1cccs1 ZINC000054596836 166633272 /nfs/dbraw/zinc/63/32/72/166633272.db2.gz AOPJFXGHMOCAJW-NXEZZACHSA-N 1 0 209.358 3.240 10 0 BGAERO COc1ccc([C@H]2C[C@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054596837 175197939 /nfs/dbraw/zinc/19/79/39/175197939.db2.gz MKHDBJXBPLCSLR-GXTWGEPZSA-N 1 0 233.355 3.187 10 0 BGAERO COc1ccc([C@H]2C[C@@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054596838 175197869 /nfs/dbraw/zinc/19/78/69/175197869.db2.gz MKHDBJXBPLCSLR-TZMCWYRMSA-N 1 0 233.355 3.187 10 0 BGAERO COc1ccc([C@@H]2C[C@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054596839 175185165 /nfs/dbraw/zinc/18/51/65/175185165.db2.gz MKHDBJXBPLCSLR-JSGCOSHPSA-N 1 0 233.355 3.187 10 0 BGAERO COc1ccc([C@@H]2C[C@@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054596840 175184330 /nfs/dbraw/zinc/18/43/30/175184330.db2.gz MKHDBJXBPLCSLR-OCCSQVGLSA-N 1 0 233.355 3.187 10 0 BGAERO COc1ccc([C@@H]2C[C@@H]2C[NH2+]C(C)(C)C)cc1C ZINC000054596985 175184545 /nfs/dbraw/zinc/18/45/45/175184545.db2.gz PCGIUIWYSOLDHF-KGLIPLIRSA-N 1 0 247.382 3.495 10 0 BGAERO COc1ccc([C@H]2C[C@@H]2C[NH2+]C(C)(C)C)cc1C ZINC000054596986 175197781 /nfs/dbraw/zinc/19/77/81/175197781.db2.gz PCGIUIWYSOLDHF-ZIAGYGMSSA-N 1 0 247.382 3.495 10 0 BGAERO COc1ccc([C@@H]2C[C@H]2C[NH2+]C(C)(C)C)cc1C ZINC000054596987 175184983 /nfs/dbraw/zinc/18/49/83/175184983.db2.gz PCGIUIWYSOLDHF-KBPBESRZSA-N 1 0 247.382 3.495 10 0 BGAERO COc1ccc([C@H]2C[C@H]2C[NH2+]C(C)(C)C)cc1C ZINC000054596988 175198086 /nfs/dbraw/zinc/19/80/86/175198086.db2.gz PCGIUIWYSOLDHF-UONOGXRCSA-N 1 0 247.382 3.495 10 0 BGAERO COc1ccc([C@@]2(C)C[C@@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054597255 188300142 /nfs/dbraw/zinc/30/01/42/188300142.db2.gz XYXYDIBMFOLWJR-CZUORRHYSA-N 1 0 247.382 3.361 10 0 BGAERO COc1ccc([C@]2(C)C[C@@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054597256 175200451 /nfs/dbraw/zinc/20/04/51/175200451.db2.gz XYXYDIBMFOLWJR-CJNGLKHVSA-N 1 0 247.382 3.361 10 0 BGAERO COc1ccc([C@]2(C)C[C@H]2C[NH2+]C(C)(C)C)cc1 ZINC000054597258 175200397 /nfs/dbraw/zinc/20/03/97/175200397.db2.gz XYXYDIBMFOLWJR-BBRMVZONSA-N 1 0 247.382 3.361 10 0 BGAERO Cc1ccc([C@]2(C)C[C@H]2C[NH2+]C(C)(C)C)o1 ZINC000054597265 178926099 /nfs/dbraw/zinc/92/60/99/178926099.db2.gz KJGITQXBFBXBQR-SMDDNHRTSA-N 1 0 221.344 3.254 10 0 BGAERO Cc1ccc([C@@]2(C)C[C@H]2C[NH2+]C(C)(C)C)o1 ZINC000054597266 178880896 /nfs/dbraw/zinc/88/08/96/178880896.db2.gz KJGITQXBFBXBQR-FZMZJTMJSA-N 1 0 221.344 3.254 10 0 BGAERO CC(C)(C)[NH2+]C[C@H]1C[C@]1(C)c1ccsc1 ZINC000054597299 166636189 /nfs/dbraw/zinc/63/61/89/166636189.db2.gz MLAZYBJCENLAOT-DGCLKSJQSA-N 1 0 223.385 3.414 10 0 BGAERO CC(C)(C)[NH2+]C[C@H]1C[C@]1(C)c1cccc(F)c1 ZINC000054597379 166633509 /nfs/dbraw/zinc/63/35/09/166633509.db2.gz ZPWZVZFJSMYXKV-IUODEOHRSA-N 1 0 235.346 3.491 10 0 BGAERO COc1ccccc1[C@@]1(C)C[C@@H]1C[NH2+]C(C)(C)C ZINC000054597463 175349656 /nfs/dbraw/zinc/34/96/56/175349656.db2.gz GXNKGYYXQZAXLX-WBMJQRKESA-N 1 0 247.382 3.361 10 0 BGAERO COc1ccccc1[C@]1(C)C[C@@H]1C[NH2+]C(C)(C)C ZINC000054597464 175356669 /nfs/dbraw/zinc/35/66/69/175356669.db2.gz GXNKGYYXQZAXLX-MLGOLLRUSA-N 1 0 247.382 3.361 10 0 BGAERO COc1ccccc1[C@@]1(C)C[C@H]1C[NH2+]C(C)(C)C ZINC000054597465 175349866 /nfs/dbraw/zinc/34/98/66/175349866.db2.gz GXNKGYYXQZAXLX-LRDDRELGSA-N 1 0 247.382 3.361 10 0 BGAERO COc1ccccc1[C@]1(C)C[C@H]1C[NH2+]C(C)(C)C ZINC000054597466 175356518 /nfs/dbraw/zinc/35/65/18/175356518.db2.gz GXNKGYYXQZAXLX-BLLLJJGKSA-N 1 0 247.382 3.361 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000054597603 167006966 /nfs/dbraw/zinc/00/69/66/167006966.db2.gz ZSPGUHUYQHIEDP-GWCFXTLKSA-N 1 0 239.309 3.314 10 0 BGAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000054597604 167008154 /nfs/dbraw/zinc/00/81/54/167008154.db2.gz ZSPGUHUYQHIEDP-MFKMUULPSA-N 1 0 239.309 3.314 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000054597605 167007249 /nfs/dbraw/zinc/00/72/49/167007249.db2.gz ZSPGUHUYQHIEDP-GXFFZTMASA-N 1 0 239.309 3.314 10 0 BGAERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000054597606 167008088 /nfs/dbraw/zinc/00/80/88/167008088.db2.gz ZSPGUHUYQHIEDP-ZWNOBZJWSA-N 1 0 239.309 3.314 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054597675 637035844 /nfs/dbraw/zinc/03/58/44/637035844.db2.gz ZCGNOFUTCSMGLU-GXTWGEPZSA-N 1 0 221.319 3.175 10 0 BGAERO CC(C)C[NH2+]C[C@H]1C[C@@H]1c1ccc(F)cc1 ZINC000054597676 637036127 /nfs/dbraw/zinc/03/61/27/637036127.db2.gz ZCGNOFUTCSMGLU-TZMCWYRMSA-N 1 0 221.319 3.175 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000054597677 637035472 /nfs/dbraw/zinc/03/54/72/637035472.db2.gz ZCGNOFUTCSMGLU-JSGCOSHPSA-N 1 0 221.319 3.175 10 0 BGAERO CC(C)C[NH2+]C[C@H]1C[C@H]1c1ccc(F)cc1 ZINC000054597678 637035888 /nfs/dbraw/zinc/03/58/88/637035888.db2.gz ZCGNOFUTCSMGLU-OCCSQVGLSA-N 1 0 221.319 3.175 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000054597897 349064201 /nfs/dbraw/zinc/06/42/01/349064201.db2.gz NFVQVTPRDHXVJB-KBPBESRZSA-N 1 0 209.377 3.448 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1C[C@@]1(C)c1ccccc1F ZINC000054598159 167006973 /nfs/dbraw/zinc/00/69/73/167006973.db2.gz WUHGGYAIDMVDQG-SWLSCSKDSA-N 1 0 235.346 3.349 10 0 BGAERO CC(C)C[NH2+]C[C@H]1C[C@@]1(C)c1ccccc1F ZINC000054598160 167008113 /nfs/dbraw/zinc/00/81/13/167008113.db2.gz WUHGGYAIDMVDQG-IUODEOHRSA-N 1 0 235.346 3.349 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1C[C@]1(C)c1ccccc1F ZINC000054598161 167007195 /nfs/dbraw/zinc/00/71/95/167007195.db2.gz WUHGGYAIDMVDQG-WFASDCNBSA-N 1 0 235.346 3.349 10 0 BGAERO CC(C)C[NH2+]C[C@H]1C[C@]1(C)c1ccccc1F ZINC000054598162 167007449 /nfs/dbraw/zinc/00/74/49/167007449.db2.gz WUHGGYAIDMVDQG-DOMZBBRYSA-N 1 0 235.346 3.349 10 0 BGAERO COCC[NH2+]C[C@H]1CC12CCC(C(C)C)CC2 ZINC000054598845 174334142 /nfs/dbraw/zinc/33/41/42/174334142.db2.gz KAQGFOIGBPBEEW-SHARSMKWSA-N 1 0 239.403 3.075 10 0 BGAERO COCC[NH2+]C[C@@H]1CC12CCC(C(C)C)CC2 ZINC000054598846 174334805 /nfs/dbraw/zinc/33/48/05/174334805.db2.gz KAQGFOIGBPBEEW-SLTAFYQDSA-N 1 0 239.403 3.075 10 0 BGAERO Cc1ccc(C)c(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)c1 ZINC000054601330 132364942 /nfs/dbraw/zinc/36/49/42/132364942.db2.gz VRPSBSBDZVLEQX-GOOCMWNKSA-N 1 0 244.382 3.152 10 0 BGAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(CC)CC ZINC000054601434 170109746 /nfs/dbraw/zinc/10/97/46/170109746.db2.gz IVTMEXRBPZKKBZ-LQDVMPOASA-N 1 0 238.419 3.170 10 0 BGAERO CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(C)(C)CC ZINC000054601445 170110042 /nfs/dbraw/zinc/11/00/42/170110042.db2.gz PMXPDSILPFYNND-AGUYFDCRSA-N 1 0 238.419 3.170 10 0 BGAERO Cc1cc(C)cc(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)c1 ZINC000054601517 132364819 /nfs/dbraw/zinc/36/48/19/132364819.db2.gz AQLCWYGTOGBFQE-GOOCMWNKSA-N 1 0 244.382 3.152 10 0 BGAERO CC1(N2[C@@H]3CCC[C@H]2CC([NH3+])C3)CCCCC1 ZINC000054602765 168055153 /nfs/dbraw/zinc/05/51/53/168055153.db2.gz VNEIDWDDUXSAOU-AGUYFDCRSA-N 1 0 236.403 3.053 10 0 BGAERO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CCCCCCC1 ZINC000054603055 349064266 /nfs/dbraw/zinc/06/42/66/349064266.db2.gz NHMQTYOUKGMTML-OKILXGFUSA-N 1 0 235.371 3.295 10 0 BGAERO CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2c1ccccc1 ZINC000054626610 169255555 /nfs/dbraw/zinc/25/55/55/169255555.db2.gz DSBVFQBYVHVGMV-VHRNVKJDSA-N 1 0 244.382 3.186 10 0 BGAERO C[C@@H](c1cccc(F)c1)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626985 176017960 /nfs/dbraw/zinc/01/79/60/176017960.db2.gz CXPBUWIVKRSYTK-LEWSCRJBSA-N 1 0 247.313 3.083 10 0 BGAERO C[C@H](c1cccc(F)c1)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054626987 177036223 /nfs/dbraw/zinc/03/62/23/177036223.db2.gz CXPBUWIVKRSYTK-HONMWMINSA-N 1 0 247.313 3.083 10 0 BGAERO Cc1cc([C@@H](C)[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(C)o1 ZINC000054627023 178221202 /nfs/dbraw/zinc/22/12/02/178221202.db2.gz HKLCMZCILRQDNO-RTXFEEFZSA-N 1 0 247.338 3.153 10 0 BGAERO Cc1cc([C@H](C)[N@H+]2[C@@H]3CC[C@H]2CC(=O)C3)c(C)o1 ZINC000054627024 178244419 /nfs/dbraw/zinc/24/44/19/178244419.db2.gz HKLCMZCILRQDNO-WCFLWFBJSA-N 1 0 247.338 3.153 10 0 BGAERO Cc1ccccc1[C@@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054627156 179317799 /nfs/dbraw/zinc/31/77/99/179317799.db2.gz MICWJIPCWOWACU-MCIONIFRSA-N 1 0 243.350 3.252 10 0 BGAERO Cc1ccccc1[C@H](C)[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC000054627158 179335481 /nfs/dbraw/zinc/33/54/81/179335481.db2.gz MICWJIPCWOWACU-MELADBBJSA-N 1 0 243.350 3.252 10 0 BGAERO Cc1cc(C)c(N2[C@@H]3CC[C@H]2CC([NH3+])C3)c(C)c1 ZINC000054627265 177865229 /nfs/dbraw/zinc/86/52/29/177865229.db2.gz SHCLFZOFJFXPGF-GOOCMWNKSA-N 1 0 244.382 3.070 10 0 BGAERO CC(C)c1ccccc1N1[C@@H]2CC[C@H]1CC([NH3+])C2 ZINC000054627416 167639785 /nfs/dbraw/zinc/63/97/85/167639785.db2.gz AFCUJUIKDJTYCA-AGUYFDCRSA-N 1 0 244.382 3.269 10 0 BGAERO CCC[C@@H](CC)[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]CC)C2 ZINC000054628495 169375237 /nfs/dbraw/zinc/37/52/37/169375237.db2.gz KMLYFMALTFOHKJ-NUDNTCICSA-N 1 0 238.419 3.170 10 0 BGAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@H](CC2CCOCC2)C1 ZINC000054630658 187437627 /nfs/dbraw/zinc/43/76/27/187437627.db2.gz WJNRUUYDLAXCEX-KFWWJZLASA-N 1 0 239.403 3.203 10 0 BGAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](CC2CCOCC2)C1 ZINC000054630661 188127139 /nfs/dbraw/zinc/12/71/39/188127139.db2.gz WJNRUUYDLAXCEX-RBSFLKMASA-N 1 0 239.403 3.203 10 0 BGAERO CC(C)(C[NH3+])Cc1ccc(F)cc1Cl ZINC000054634464 369081042 /nfs/dbraw/zinc/08/10/42/369081042.db2.gz BQTPXFAZWSGLKA-UHFFFAOYSA-N 1 0 215.699 3.007 10 0 BGAERO CC(C)(C[NH3+])Cc1cc(Br)cs1 ZINC000054634531 187272053 /nfs/dbraw/zinc/27/20/53/187272053.db2.gz NPACCNIUHDVBCP-UHFFFAOYSA-N 1 0 248.189 3.038 10 0 BGAERO CC(C)(C[NH3+])Cc1sccc1Br ZINC000054634541 188300580 /nfs/dbraw/zinc/30/05/80/188300580.db2.gz HTEODYLVPWZBQL-UHFFFAOYSA-N 1 0 248.189 3.038 10 0 BGAERO [NH3+]CC1(Cc2cccs2)CCCCC1 ZINC000054635390 181360362 /nfs/dbraw/zinc/36/03/62/181360362.db2.gz IIXFGTFTOIURLS-UHFFFAOYSA-N 1 0 209.358 3.200 10 0 BGAERO [NH3+]CC1(Cc2cccc(F)c2F)CCCCC1 ZINC000054635464 181360378 /nfs/dbraw/zinc/36/03/78/181360378.db2.gz SJPFZMRPTAYXSR-UHFFFAOYSA-N 1 0 239.309 3.417 10 0 BGAERO Cc1ncsc1CCC1(C[NH3+])CCCCC1 ZINC000054635483 180306420 /nfs/dbraw/zinc/30/64/20/180306420.db2.gz KJFYOSZXFPDPMQ-UHFFFAOYSA-N 1 0 238.400 3.293 10 0 BGAERO [NH3+]CC1(Cc2ccc(Cl)s2)CCCC1 ZINC000054635625 181360224 /nfs/dbraw/zinc/36/02/24/181360224.db2.gz VSSFYUNBUVZZPI-UHFFFAOYSA-N 1 0 229.776 3.463 10 0 BGAERO CCC(CC)(C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000054636460 168323395 /nfs/dbraw/zinc/32/33/95/168323395.db2.gz KDSXGWWUDKPZKC-UHFFFAOYSA-N 1 0 239.334 3.142 10 0 BGAERO CC[C@@](C)(C[NH3+])Cc1ccc(Cl)s1 ZINC000054637008 171167494 /nfs/dbraw/zinc/16/74/94/171167494.db2.gz OKPIKXPOWLQSJE-SNVBAGLBSA-N 1 0 217.765 3.319 10 0 BGAERO CC(C)OCC[C@]1(C[NH3+])CCCc2ccccc21 ZINC000054637490 167252773 /nfs/dbraw/zinc/25/27/73/167252773.db2.gz QBWRBEIFRJSFLD-INIZCTEOSA-N 1 0 247.382 3.035 10 0 BGAERO CC(C)OCC[C@@]1(C[NH3+])CCCc2ccccc21 ZINC000054637491 167253170 /nfs/dbraw/zinc/25/31/70/167253170.db2.gz QBWRBEIFRJSFLD-MRXNPFEDSA-N 1 0 247.382 3.035 10 0 BGAERO C[NH2+]CC(C)(C)Cc1ccc(Cl)s1 ZINC000054637831 173337067 /nfs/dbraw/zinc/33/70/67/173337067.db2.gz ZBDBYBZDRRONMC-UHFFFAOYSA-N 1 0 217.765 3.190 10 0 BGAERO CC[NH2+]CC(C)(C)Cc1ccc(OC)c(F)c1 ZINC000054637933 170110996 /nfs/dbraw/zinc/11/09/96/170110996.db2.gz JSPNDSHEDAKJCW-UHFFFAOYSA-N 1 0 239.334 3.013 10 0 BGAERO CC[NH2+]CC(C)(C)Cc1ccc(CC)s1 ZINC000054637957 170110956 /nfs/dbraw/zinc/11/09/56/170110956.db2.gz KPAXCGZYZWQXQD-UHFFFAOYSA-N 1 0 225.401 3.489 10 0 BGAERO CC[NH2+]CC(C)(C)Cc1ccc(F)cc1F ZINC000054637990 170110386 /nfs/dbraw/zinc/11/03/86/170110386.db2.gz VYEUBYSUQHGFKF-UHFFFAOYSA-N 1 0 227.298 3.143 10 0 BGAERO CC[NH2+]CC(C)(C)Cc1ccc(C)c(C)c1 ZINC000054638032 170110941 /nfs/dbraw/zinc/11/09/41/170110941.db2.gz FKTVBGXITBCEDM-UHFFFAOYSA-N 1 0 219.372 3.482 10 0 BGAERO CCC[NH2+]CC(C)(C)CCOc1ccccc1 ZINC000054638121 169255442 /nfs/dbraw/zinc/25/54/42/169255442.db2.gz JRNCYAYEKSLMOL-UHFFFAOYSA-N 1 0 235.371 3.481 10 0 BGAERO COc1cccc(CC(C)(C)C[NH2+]C(C)C)c1 ZINC000054638177 175251064 /nfs/dbraw/zinc/25/10/64/175251064.db2.gz XCQSGJMSDYWPRA-UHFFFAOYSA-N 1 0 235.371 3.262 10 0 BGAERO CC(C)[NH2+]CC(C)(C)CCOc1ccccc1 ZINC000054638248 167097689 /nfs/dbraw/zinc/09/76/89/167097689.db2.gz OCBXGZWWRKYZFC-UHFFFAOYSA-N 1 0 235.371 3.480 10 0 BGAERO CC(C)(C[NH2+]C1CC1)Cc1cccc(F)c1F ZINC000054638346 188301039 /nfs/dbraw/zinc/30/10/39/188301039.db2.gz HYRAWVNHYXAESG-UHFFFAOYSA-N 1 0 239.309 3.286 10 0 BGAERO COCC[NH2+]CC(C)(C)Cc1cc(C)ccc1C ZINC000054638728 174332506 /nfs/dbraw/zinc/33/25/06/174332506.db2.gz RTIIZBLCSNZAPM-UHFFFAOYSA-N 1 0 249.398 3.108 10 0 BGAERO C[NH2+]C[C@]1(Cc2ccccc2F)C[C@H]2CC[C@@H]1C2 ZINC000054638805 173383671 /nfs/dbraw/zinc/38/36/71/173383671.db2.gz MQRNDIDTRHLHSP-JGGQBBKZSA-N 1 0 247.357 3.394 10 0 BGAERO C[NH2+]C[C@@]1(Cc2ccccc2F)C[C@H]2CC[C@@H]1C2 ZINC000054638807 173373162 /nfs/dbraw/zinc/37/31/62/173373162.db2.gz MQRNDIDTRHLHSP-BJJXKVORSA-N 1 0 247.357 3.394 10 0 BGAERO CCCC[C@]1(C[NH2+]CCOC)C[C@H]2CC[C@@H]1C2 ZINC000054639269 169015970 /nfs/dbraw/zinc/01/59/70/169015970.db2.gz NPBWHQXDPFQUMO-RRFJBIMHSA-N 1 0 239.403 3.219 10 0 BGAERO C[NH2+]CC1(Cc2cccs2)CCCC1 ZINC000054655315 173337969 /nfs/dbraw/zinc/33/79/69/173337969.db2.gz KOYHFFUXNJDJGE-UHFFFAOYSA-N 1 0 209.358 3.070 10 0 BGAERO C[NH2+]CC1(Cc2cc(C)ccc2OC)CCCC1 ZINC000054655379 173337605 /nfs/dbraw/zinc/33/76/05/173337605.db2.gz ZMOSKNCGDFLBLQ-UHFFFAOYSA-N 1 0 247.382 3.326 10 0 BGAERO C[NH2+]CC1(CCOc2ccccc2)CCCC1 ZINC000054655402 173338055 /nfs/dbraw/zinc/33/80/55/173338055.db2.gz WJMCTRGKXTZSSG-UHFFFAOYSA-N 1 0 233.355 3.235 10 0 BGAERO CC(C)[NH2+]CC1(CC2CCOCC2)CCCC1 ZINC000054655739 167100744 /nfs/dbraw/zinc/10/07/44/167100744.db2.gz RDBLYEHAIJQFJM-UHFFFAOYSA-N 1 0 239.403 3.362 10 0 BGAERO CCC[C@@](C)(CCOc1ccccc1)C[NH2+]C ZINC000054656440 169447929 /nfs/dbraw/zinc/44/79/29/169447929.db2.gz GYOISWJSLXQNIW-HNNXBMFYSA-N 1 0 235.371 3.481 10 0 BGAERO CCC(CC)(C[NH2+]C)Cc1cccc(OC)c1 ZINC000054658368 168326154 /nfs/dbraw/zinc/32/61/54/168326154.db2.gz CZBSYAYKQRAVTN-UHFFFAOYSA-N 1 0 235.371 3.264 10 0 BGAERO CCC(CC)(C[NH2+]C1CC1)CC1CCOCC1 ZINC000054658804 168326021 /nfs/dbraw/zinc/32/60/21/168326021.db2.gz AALISOWKXDGEBE-UHFFFAOYSA-N 1 0 239.403 3.362 10 0 BGAERO CC[C@@](CCOC(C)C)(C[NH2+]C)c1ccccc1 ZINC000054659206 171193015 /nfs/dbraw/zinc/19/30/15/171193015.db2.gz JYZGMAYFUNYZTA-MRXNPFEDSA-N 1 0 249.398 3.369 10 0 BGAERO CC[NH2+]C[C@@](CC)(CCCOC)c1ccccc1 ZINC000054659232 170120774 /nfs/dbraw/zinc/12/07/74/170120774.db2.gz SDUHCUROYQIQLS-MRXNPFEDSA-N 1 0 249.398 3.371 10 0 BGAERO CC[NH2+]C[C@](CC)(CCCOC)c1ccccc1 ZINC000054659234 170123818 /nfs/dbraw/zinc/12/38/18/170123818.db2.gz SDUHCUROYQIQLS-INIZCTEOSA-N 1 0 249.398 3.371 10 0 BGAERO CC[NH2+]C[C@@](CC)(CCOCC)c1ccccc1 ZINC000054659270 170121199 /nfs/dbraw/zinc/12/11/99/170121199.db2.gz HZRLEGQWCQUGQL-MRXNPFEDSA-N 1 0 249.398 3.371 10 0 BGAERO CC[NH2+]C[C@](CC)(CCOCC)c1ccccc1 ZINC000054659272 170123828 /nfs/dbraw/zinc/12/38/28/170123828.db2.gz HZRLEGQWCQUGQL-INIZCTEOSA-N 1 0 249.398 3.371 10 0 BGAERO CC[C@@](CCOC)(C[NH2+]C(C)C)c1ccccc1 ZINC000054659401 171193435 /nfs/dbraw/zinc/19/34/35/171193435.db2.gz TWOCMNGRLGIVCC-MRXNPFEDSA-N 1 0 249.398 3.369 10 0 BGAERO CCC[C@](CC)(C[NH2+]CCOC)c1ccccc1 ZINC000054659630 169555290 /nfs/dbraw/zinc/55/52/90/169555290.db2.gz CHDJBZYYSMIRMP-MRXNPFEDSA-N 1 0 249.398 3.371 10 0 BGAERO COCC[NH2+]C[C@H](C)Cc1ccc(C(C)C)cc1 ZINC000054659925 174335057 /nfs/dbraw/zinc/33/50/57/174335057.db2.gz GEKZJHNEHWBEHW-CQSZACIVSA-N 1 0 249.398 3.225 10 0 BGAERO COCC[NH2+]C[C@@H](C)Cc1ccc(C(C)C)cc1 ZINC000054659927 174333637 /nfs/dbraw/zinc/33/36/37/174333637.db2.gz GEKZJHNEHWBEHW-AWEZNQCLSA-N 1 0 249.398 3.225 10 0 BGAERO COCC[NH2+]C[C@H](C)Cc1c(C)cc(C)cc1C ZINC000054660104 174334720 /nfs/dbraw/zinc/33/47/20/174334720.db2.gz OFERAOINAYKXKJ-CYBMUJFWSA-N 1 0 249.398 3.026 10 0 BGAERO COCC[NH2+]C[C@@H](C)Cc1c(C)cc(C)cc1C ZINC000054660106 174333654 /nfs/dbraw/zinc/33/36/54/174333654.db2.gz OFERAOINAYKXKJ-ZDUSSCGKSA-N 1 0 249.398 3.026 10 0 BGAERO CC[NH2+]C[C@@](C)(CC)Cc1cccc(F)c1 ZINC000054660549 170120642 /nfs/dbraw/zinc/12/06/42/170120642.db2.gz KVPYSTIKXGHCFN-AWEZNQCLSA-N 1 0 223.335 3.394 10 0 BGAERO CC[NH2+]C[C@](C)(CC)Cc1cccc(F)c1 ZINC000054660550 170123524 /nfs/dbraw/zinc/12/35/24/170123524.db2.gz KVPYSTIKXGHCFN-CQSZACIVSA-N 1 0 223.335 3.394 10 0 BGAERO CC[NH2+]C[C@@](C)(CC)CCOc1ccccc1 ZINC000054660681 170121110 /nfs/dbraw/zinc/12/11/10/170121110.db2.gz IHGWDEWNZMKJGO-HNNXBMFYSA-N 1 0 235.371 3.481 10 0 BGAERO CC[NH2+]C[C@](C)(CC)CCOc1ccccc1 ZINC000054660683 170123245 /nfs/dbraw/zinc/12/32/45/170123245.db2.gz IHGWDEWNZMKJGO-OAHLLOKOSA-N 1 0 235.371 3.481 10 0 BGAERO CC[C@@](C)(C[NH2+]CC(C)C)CC1CCOCC1 ZINC000054661735 171167632 /nfs/dbraw/zinc/16/76/32/171167632.db2.gz HZYVDDDZSLTIBE-OAHLLOKOSA-N 1 0 241.419 3.465 10 0 BGAERO CC[C@@](C)(C[NH2+]CCOC)Cc1cccc(C)c1 ZINC000054661912 171167329 /nfs/dbraw/zinc/16/73/29/171167329.db2.gz LYOSFUAXHNTFOS-MRXNPFEDSA-N 1 0 249.398 3.190 10 0 BGAERO COCC[NH2+]C[C@H](Cc1cccc(C)c1)C(C)C ZINC000054663159 174334986 /nfs/dbraw/zinc/33/49/86/174334986.db2.gz KQUMQSSSGSWEKE-INIZCTEOSA-N 1 0 249.398 3.046 10 0 BGAERO COCC[NH2+]C[C@@H](Cc1cccc(C)c1)C(C)C ZINC000054663161 174333388 /nfs/dbraw/zinc/33/33/88/174333388.db2.gz KQUMQSSSGSWEKE-MRXNPFEDSA-N 1 0 249.398 3.046 10 0 BGAERO CCCC[C@@H](CC)C[C@]1(C[NH2+]C)CCOC1 ZINC000054663953 168958834 /nfs/dbraw/zinc/95/88/34/168958834.db2.gz WGHWTPQLHBRKQW-KGLIPLIRSA-N 1 0 227.392 3.219 10 0 BGAERO CCCC[C@H](CC)C[C@]1(C[NH2+]C)CCOC1 ZINC000054663955 169000168 /nfs/dbraw/zinc/00/01/68/169000168.db2.gz WGHWTPQLHBRKQW-KBPBESRZSA-N 1 0 227.392 3.219 10 0 BGAERO CC[C@H](C)C[C@]1(C[NH2+]CC(C)C)CCOC1 ZINC000054666030 171299475 /nfs/dbraw/zinc/29/94/75/171299475.db2.gz HLIIPXRGPXCXSQ-KBPBESRZSA-N 1 0 227.392 3.075 10 0 BGAERO CC[C@H](C)C[C@@]1(C[NH2+]CC(C)C)CCOC1 ZINC000054666036 171296816 /nfs/dbraw/zinc/29/68/16/171296816.db2.gz HLIIPXRGPXCXSQ-UONOGXRCSA-N 1 0 227.392 3.075 10 0 BGAERO CCC[NH2+]CCCc1cnn(C(CC)CC)c1 ZINC000054680664 169258674 /nfs/dbraw/zinc/25/86/74/169258674.db2.gz ZEXNYHSTOBBFJT-UHFFFAOYSA-N 1 0 237.391 3.176 10 0 BGAERO Cc1cc(C[C@H]([NH3+])c2ccccc2)ccc1F ZINC000054681499 178057569 /nfs/dbraw/zinc/05/75/69/178057569.db2.gz PEAOAPNOUMDWIF-HNNXBMFYSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cc(C[C@@H]([NH3+])c2ccccc2)ccc1F ZINC000054681503 178054093 /nfs/dbraw/zinc/05/40/93/178054093.db2.gz PEAOAPNOUMDWIF-OAHLLOKOSA-N 1 0 229.298 3.377 10 0 BGAERO Cc1cc([C@H](O)[C@H]([NH3+])c2ccccc2)c(C)s1 ZINC000054682113 178264069 /nfs/dbraw/zinc/26/40/69/178264069.db2.gz AMWBXJSKABMCDX-KGLIPLIRSA-N 1 0 247.363 3.098 10 0 BGAERO Cc1cc([C@@H](O)[C@H]([NH3+])c2ccccc2)c(C)s1 ZINC000054682118 178238639 /nfs/dbraw/zinc/23/86/39/178238639.db2.gz AMWBXJSKABMCDX-ZIAGYGMSSA-N 1 0 247.363 3.098 10 0 BGAERO Cc1cc([C@H](O)[C@@H]([NH3+])c2ccccc2)c(C)s1 ZINC000054682121 178264351 /nfs/dbraw/zinc/26/43/51/178264351.db2.gz AMWBXJSKABMCDX-KBPBESRZSA-N 1 0 247.363 3.098 10 0 BGAERO Cc1cc([C@@H](O)[C@@H]([NH3+])c2ccccc2)c(C)s1 ZINC000054682125 178239502 /nfs/dbraw/zinc/23/95/02/178239502.db2.gz AMWBXJSKABMCDX-UONOGXRCSA-N 1 0 247.363 3.098 10 0 BGAERO Cc1cccc2c1C[C@H](c1ccccc1)[NH2+]C2 ZINC000054684656 179218985 /nfs/dbraw/zinc/21/89/85/179218985.db2.gz FDCUOCCNNWINGH-MRXNPFEDSA-N 1 0 223.319 3.382 10 0 BGAERO Cc1cccc2c1C[C@@H](c1ccccc1)[NH2+]C2 ZINC000054684658 179218032 /nfs/dbraw/zinc/21/80/32/179218032.db2.gz FDCUOCCNNWINGH-INIZCTEOSA-N 1 0 223.319 3.382 10 0 BGAERO Cc1cc(C[C@H]([NH3+])Cc2ccccc2)c(C)s1 ZINC000054685366 178058169 /nfs/dbraw/zinc/05/81/69/178058169.db2.gz NMKFHWDDCIWFCG-OAHLLOKOSA-N 1 0 245.391 3.477 10 0 BGAERO Cc1cc(C[C@@H]([NH3+])Cc2ccccc2)c(C)s1 ZINC000054685367 178055878 /nfs/dbraw/zinc/05/58/78/178055878.db2.gz NMKFHWDDCIWFCG-HNNXBMFYSA-N 1 0 245.391 3.477 10 0 BGAERO C[C@@H]1CCC[C@H](Sc2ccc(C(N)=[NH2+])cn2)C1 ZINC000054691383 176145911 /nfs/dbraw/zinc/14/59/11/176145911.db2.gz RROKIJYYIGMXJG-KOLCDFICSA-N 1 0 249.383 3.036 10 0 BGAERO C[C@@H]1CCC[C@H](SC2CC[NH2+]CC2)C1 ZINC000054694849 176145964 /nfs/dbraw/zinc/14/59/64/176145964.db2.gz SKHORAHAWXDVFP-PWSUYJOCSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CCC[C@H](SC2CC[NH2+]CC2)C1 ZINC000054694851 177139427 /nfs/dbraw/zinc/13/94/27/177139427.db2.gz SKHORAHAWXDVFP-JQWIXIFHSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@@H]1CCC[C@@H](SC2CC[NH2+]CC2)C1 ZINC000054694853 176125023 /nfs/dbraw/zinc/12/50/23/176125023.db2.gz SKHORAHAWXDVFP-ZYHUDNBSSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CCC[C@@H](SC2CC[NH2+]CC2)C1 ZINC000054694855 177123599 /nfs/dbraw/zinc/12/35/99/177123599.db2.gz SKHORAHAWXDVFP-CMPLNLGQSA-N 1 0 213.390 3.050 10 0 BGAERO Cc1nn(C2CCCCC2)c(C)c1[C@@H](C)[NH3+] ZINC000054716477 180385263 /nfs/dbraw/zinc/38/52/63/180385263.db2.gz DQBXRRLXVLSLMO-SECBINFHSA-N 1 0 221.348 3.025 10 0 BGAERO Cc1nn(C2CCCCC2)c(C)c1[C@H](C)[NH3+] ZINC000054716478 180384357 /nfs/dbraw/zinc/38/43/57/180384357.db2.gz DQBXRRLXVLSLMO-VIFPVBQESA-N 1 0 221.348 3.025 10 0 BGAERO CC[C@H]([NH3+])c1c(C)nn(C2CCCC2)c1C ZINC000054716607 171489737 /nfs/dbraw/zinc/48/97/37/171489737.db2.gz XKAPAYZPOHWNBI-LBPRGKRZSA-N 1 0 221.348 3.025 10 0 BGAERO Cc1nn(CC(C)C)c(C)c1C[NH2+]C(C)(C)C ZINC000054717455 180385777 /nfs/dbraw/zinc/38/57/77/180385777.db2.gz JSYKPHUYVUVJKT-UHFFFAOYSA-N 1 0 237.391 3.044 10 0 BGAERO Cc1nn(C2CCCC2)c(C)c1C[NH2+]CC(C)C ZINC000054717560 180383901 /nfs/dbraw/zinc/38/39/01/180383901.db2.gz JSQPYFFCDWEZAQ-UHFFFAOYSA-N 1 0 249.402 3.361 10 0 BGAERO CC[C@@H](C)n1nc(C)c(C[NH2+]CC(C)C)c1C ZINC000054717594 170810119 /nfs/dbraw/zinc/81/01/19/170810119.db2.gz RVQIMWZMHXAZHR-LLVKDONJSA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@@H](C)c1c(C)nn(CCC(C)C)c1C ZINC000054718041 170140633 /nfs/dbraw/zinc/14/06/33/170140633.db2.gz YTKHYZRONKRMEH-NSHDSACASA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@H](C)c1c(C)nn(CCC(C)C)c1C ZINC000054718043 170159178 /nfs/dbraw/zinc/15/91/78/170159178.db2.gz YTKHYZRONKRMEH-LLVKDONJSA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@H](C)c1c(C)nn(C[C@H](C)CC)c1C ZINC000054718203 170159575 /nfs/dbraw/zinc/15/95/75/170159575.db2.gz LKZDRFHCLPVMQP-GHMZBOCLSA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@H](C)c1c(C)nn(C[C@@H](C)CC)c1C ZINC000054718205 170159581 /nfs/dbraw/zinc/15/95/81/170159581.db2.gz LKZDRFHCLPVMQP-WDEREUQCSA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@@H](C)c1c(C)nn(C[C@H](C)CC)c1C ZINC000054718207 170140597 /nfs/dbraw/zinc/14/05/97/170140597.db2.gz LKZDRFHCLPVMQP-MNOVXSKESA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@@H](C)c1c(C)nn(C[C@@H](C)CC)c1C ZINC000054718209 170140906 /nfs/dbraw/zinc/14/09/06/170140906.db2.gz LKZDRFHCLPVMQP-QWRGUYRKSA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@@H](CC)c1c(C)nn(CC(C)C)c1C ZINC000054718774 170144226 /nfs/dbraw/zinc/14/42/26/170144226.db2.gz IUWSPVPGLHKHOV-ZDUSSCGKSA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@H](CC)c1c(C)nn(CC(C)C)c1C ZINC000054718776 170161590 /nfs/dbraw/zinc/16/15/90/170161590.db2.gz IUWSPVPGLHKHOV-CYBMUJFWSA-N 1 0 237.391 3.217 10 0 BGAERO CC[NH2+][C@@H](C)c1cnn(C2CCCCC2)c1 ZINC000054721231 170142748 /nfs/dbraw/zinc/14/27/48/170142748.db2.gz HDXFWLAAZJNGNI-NSHDSACASA-N 1 0 221.348 3.059 10 0 BGAERO CC[NH2+][C@H](C)c1cnn(C2CCCCC2)c1 ZINC000054721233 170159828 /nfs/dbraw/zinc/15/98/28/170159828.db2.gz HDXFWLAAZJNGNI-LLVKDONJSA-N 1 0 221.348 3.059 10 0 BGAERO CCC[NH2+][C@H](C)c1cnn(C[C@H](C)CCC)c1 ZINC000054721682 169288229 /nfs/dbraw/zinc/28/82/29/169288229.db2.gz AOZJFBCVBSKBEZ-CHWSQXEVSA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@H](C)c1cnn(C[C@@H](C)CCC)c1 ZINC000054721685 169288277 /nfs/dbraw/zinc/28/82/77/169288277.db2.gz AOZJFBCVBSKBEZ-QWHCGFSZSA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@@H](C)c1cnn(C[C@H](C)CCC)c1 ZINC000054721687 169277436 /nfs/dbraw/zinc/27/74/36/169277436.db2.gz AOZJFBCVBSKBEZ-OLZOCXBDSA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@@H](C)c1cnn(C[C@@H](C)CCC)c1 ZINC000054721691 169276585 /nfs/dbraw/zinc/27/65/85/169276585.db2.gz AOZJFBCVBSKBEZ-STQMWFEESA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@@H](C)c1cnn(CCC(C)(C)C)c1 ZINC000054721830 169277438 /nfs/dbraw/zinc/27/74/38/169277438.db2.gz JLKNVRMOTBGNSS-LBPRGKRZSA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@H](C)c1cnn(CCC(C)(C)C)c1 ZINC000054721832 169288479 /nfs/dbraw/zinc/28/84/79/169288479.db2.gz JLKNVRMOTBGNSS-GFCCVEGCSA-N 1 0 237.391 3.380 10 0 BGAERO CC[NH2+][C@@H](CC)c1cnn(CCC(C)(C)C)c1 ZINC000054722617 170144252 /nfs/dbraw/zinc/14/42/52/170144252.db2.gz PSGBWMDDCGKGLF-ZDUSSCGKSA-N 1 0 237.391 3.380 10 0 BGAERO CC[NH2+][C@H](CC)c1cnn(CCC(C)(C)C)c1 ZINC000054722620 170161449 /nfs/dbraw/zinc/16/14/49/170161449.db2.gz PSGBWMDDCGKGLF-CYBMUJFWSA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@@H](CC)c1cnn(C[C@@H](C)CC)c1 ZINC000054722848 169278048 /nfs/dbraw/zinc/27/80/48/169278048.db2.gz QLZISPCATJOFGF-JSGCOSHPSA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@H](CC)c1cnn(C[C@@H](C)CC)c1 ZINC000054722851 169288744 /nfs/dbraw/zinc/28/87/44/169288744.db2.gz QLZISPCATJOFGF-GXTWGEPZSA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@@H](CC)c1cnn(C[C@H](C)CC)c1 ZINC000054722854 169277974 /nfs/dbraw/zinc/27/79/74/169277974.db2.gz QLZISPCATJOFGF-OCCSQVGLSA-N 1 0 237.391 3.380 10 0 BGAERO CCC[NH2+][C@H](CC)c1cnn(C[C@H](C)CC)c1 ZINC000054722857 169289270 /nfs/dbraw/zinc/28/92/70/169289270.db2.gz QLZISPCATJOFGF-TZMCWYRMSA-N 1 0 237.391 3.380 10 0 BGAERO CC[NH2+][C@@H]1CCCCc2c(OC)ccc(C)c21 ZINC000054742106 170150621 /nfs/dbraw/zinc/15/06/21/170150621.db2.gz ADFIWUSHZVBXJF-CYBMUJFWSA-N 1 0 233.355 3.381 10 0 BGAERO CC[NH2+][C@H]1CCCCc2c(OC)ccc(C)c21 ZINC000054742107 170166826 /nfs/dbraw/zinc/16/68/26/170166826.db2.gz ADFIWUSHZVBXJF-ZDUSSCGKSA-N 1 0 233.355 3.381 10 0 BGAERO CCC[NH2+][C@@H]1CCCCc2ccc(OC)cc21 ZINC000054742150 169282247 /nfs/dbraw/zinc/28/22/47/169282247.db2.gz BKYWTBNBUAHHCL-OAHLLOKOSA-N 1 0 233.355 3.462 10 0 BGAERO CCC[NH2+][C@H]1CCCCc2ccc(OC)cc21 ZINC000054742151 169290746 /nfs/dbraw/zinc/29/07/46/169290746.db2.gz BKYWTBNBUAHHCL-HNNXBMFYSA-N 1 0 233.355 3.462 10 0 BGAERO CCC[NH2+][C@@H]1CCCc2ccc(OCC)cc21 ZINC000054742180 169281986 /nfs/dbraw/zinc/28/19/86/169281986.db2.gz PVRHDGTVCROHAB-OAHLLOKOSA-N 1 0 233.355 3.462 10 0 BGAERO CCC[NH2+][C@H]1CCCc2ccc(OCC)cc21 ZINC000054742181 169291627 /nfs/dbraw/zinc/29/16/27/169291627.db2.gz PVRHDGTVCROHAB-HNNXBMFYSA-N 1 0 233.355 3.462 10 0 BGAERO CCC[NH2+][C@@H]1CCCc2cc(OC)c(OC)cc21 ZINC000054742270 169282274 /nfs/dbraw/zinc/28/22/74/169282274.db2.gz VJAJSZCRCQFWNJ-CYBMUJFWSA-N 1 0 249.354 3.081 10 0 BGAERO CCC[NH2+][C@H]1CCCc2cc(OC)c(OC)cc21 ZINC000054742271 169292020 /nfs/dbraw/zinc/29/20/20/169292020.db2.gz VJAJSZCRCQFWNJ-ZDUSSCGKSA-N 1 0 249.354 3.081 10 0 BGAERO CC[NH2+][C@@H]1CCCCc2c(F)cc(OC)cc21 ZINC000054742286 170150816 /nfs/dbraw/zinc/15/08/16/170150816.db2.gz DEYWZWIEIVDQOE-CQSZACIVSA-N 1 0 237.318 3.211 10 0 BGAERO CC[NH2+][C@H]1CCCCc2c(F)cc(OC)cc21 ZINC000054742287 170166559 /nfs/dbraw/zinc/16/65/59/170166559.db2.gz DEYWZWIEIVDQOE-AWEZNQCLSA-N 1 0 237.318 3.211 10 0 BGAERO CCC[NH2+][C@@H]1CCCc2c(OC)ccc(OC)c21 ZINC000054742336 169282302 /nfs/dbraw/zinc/28/23/02/169282302.db2.gz AXDFAUAIVVAMJV-GFCCVEGCSA-N 1 0 249.354 3.081 10 0 BGAERO CCC[NH2+][C@H]1CCCc2c(OC)ccc(OC)c21 ZINC000054742337 169291683 /nfs/dbraw/zinc/29/16/83/169291683.db2.gz AXDFAUAIVVAMJV-LBPRGKRZSA-N 1 0 249.354 3.081 10 0 BGAERO CCC[NH2+][C@@H]1CCCc2c(OC)cc(OC)cc21 ZINC000054742356 169282153 /nfs/dbraw/zinc/28/21/53/169282153.db2.gz NUGKVNZANXDANM-CQSZACIVSA-N 1 0 249.354 3.081 10 0 BGAERO CCC[NH2+][C@H]1CCCc2c(OC)cc(OC)cc21 ZINC000054742357 169291523 /nfs/dbraw/zinc/29/15/23/169291523.db2.gz NUGKVNZANXDANM-AWEZNQCLSA-N 1 0 249.354 3.081 10 0 BGAERO CCOc1cc2c(cc1OCC)[C@H]([NH3+])CCCC2 ZINC000054742364 170529787 /nfs/dbraw/zinc/52/97/87/170529787.db2.gz KYWWZUZHGANUHH-CYBMUJFWSA-N 1 0 249.354 3.210 10 0 BGAERO CCOc1cc2c(cc1OCC)[C@@H]([NH3+])CCCC2 ZINC000054742365 170530270 /nfs/dbraw/zinc/53/02/70/170530270.db2.gz KYWWZUZHGANUHH-ZDUSSCGKSA-N 1 0 249.354 3.210 10 0 BGAERO C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21 ZINC000054742520 344042823 /nfs/dbraw/zinc/04/28/23/344042823.db2.gz OMHYDTPNHTUWMT-GFCCVEGCSA-N 1 0 209.720 3.327 10 0 BGAERO C[NH2+][C@H]1CCCCc2ccc(Cl)cc21 ZINC000054742521 344042820 /nfs/dbraw/zinc/04/28/20/344042820.db2.gz OMHYDTPNHTUWMT-LBPRGKRZSA-N 1 0 209.720 3.327 10 0 BGAERO [NH3+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000054742582 344038853 /nfs/dbraw/zinc/03/88/53/344038853.db2.gz VODUXBQLRCIMCW-LLVKDONJSA-N 1 0 240.144 3.175 10 0 BGAERO [NH3+][C@H]1CCCCc2ccc(Br)cc21 ZINC000054742583 344039126 /nfs/dbraw/zinc/03/91/26/344039126.db2.gz VODUXBQLRCIMCW-NSHDSACASA-N 1 0 240.144 3.175 10 0 BGAERO [NH3+][C@H]1CCCc2c(Cl)ccc(Cl)c21 ZINC000054742680 344038885 /nfs/dbraw/zinc/03/88/85/344038885.db2.gz PCRJPMFIQCIZAC-VIFPVBQESA-N 1 0 216.111 3.330 10 0 BGAERO [NH3+][C@@H]1CCCc2c(Cl)ccc(Cl)c21 ZINC000054742681 344039015 /nfs/dbraw/zinc/03/90/15/344039015.db2.gz PCRJPMFIQCIZAC-SECBINFHSA-N 1 0 216.111 3.330 10 0 BGAERO CC(C)c1ccc([C@@H](C)[NH2+]Cc2cnc[nH]2)cc1 ZINC000054764618 358872478 /nfs/dbraw/zinc/87/24/78/358872478.db2.gz GGUTZSGRAHMCLC-GFCCVEGCSA-N 1 0 243.354 3.384 10 0 BGAERO CC(C)c1ccc([C@H](C)[NH2+]Cc2cnc[nH]2)cc1 ZINC000054764619 358872977 /nfs/dbraw/zinc/87/29/77/358872977.db2.gz GGUTZSGRAHMCLC-LBPRGKRZSA-N 1 0 243.354 3.384 10 0 BGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+]Cc1cncs1 ZINC000054770071 177137039 /nfs/dbraw/zinc/13/70/39/177137039.db2.gz UEKQANMTKLQLCG-UMNHJUIQSA-N 1 0 224.373 3.057 10 0 BGAERO C[C@H]1[C@H]([NH2+]Cc2cncs2)CCC[C@@H]1C ZINC000054770074 177123280 /nfs/dbraw/zinc/12/32/80/177123280.db2.gz UEKQANMTKLQLCG-HOSYDEDBSA-N 1 0 224.373 3.057 10 0 BGAERO C[C@H]([NH2+]Cc1cncs1)c1ccc(F)cc1 ZINC000054770104 176881770 /nfs/dbraw/zinc/88/17/70/176881770.db2.gz WTRSWRCTJYPHJF-VIFPVBQESA-N 1 0 236.315 3.133 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)o1)c1ccccc1 ZINC000054788505 181553528 /nfs/dbraw/zinc/55/35/28/181553528.db2.gz BYCSXBGROQDOTA-NSHDSACASA-N 1 0 221.687 3.176 10 0 BGAERO [NH3+][C@H](Cc1ccc(Cl)o1)Cc1ccccc1 ZINC000054788506 181557037 /nfs/dbraw/zinc/55/70/37/181557037.db2.gz RFZBZHWIDVKEAX-NSHDSACASA-N 1 0 235.714 3.046 10 0 BGAERO CCC1CCC(C[NH2+]Cc2ccnc(C)n2)CC1 ZINC000054790770 136373266 /nfs/dbraw/zinc/37/32/66/136373266.db2.gz CTCZYHAEBHCQLM-UHFFFAOYSA-N 1 0 247.386 3.091 10 0 BGAERO C[C@@H]1CCC[C@H](c2nccc(C[NH2+]C3CC3)n2)C1 ZINC000054791894 176146877 /nfs/dbraw/zinc/14/68/77/176146877.db2.gz NUEZBDACFGZACD-NEPJUHHUSA-N 1 0 245.370 3.022 10 0 BGAERO C[C@H]1CCC[C@H](c2nccc(C[NH2+]C3CC3)n2)C1 ZINC000054791896 177139298 /nfs/dbraw/zinc/13/92/98/177139298.db2.gz NUEZBDACFGZACD-RYUDHWBXSA-N 1 0 245.370 3.022 10 0 BGAERO C[C@@H]1CCC[C@@H](c2nccc(C[NH2+]C3CC3)n2)C1 ZINC000054791899 176126231 /nfs/dbraw/zinc/12/62/31/176126231.db2.gz NUEZBDACFGZACD-VXGBXAGGSA-N 1 0 245.370 3.022 10 0 BGAERO C[C@H]1CCC[C@@H](c2nccc(C[NH2+]C3CC3)n2)C1 ZINC000054791901 177123426 /nfs/dbraw/zinc/12/34/26/177123426.db2.gz NUEZBDACFGZACD-NWDGAFQWSA-N 1 0 245.370 3.022 10 0 BGAERO Cc1nc[nH]c1C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000054795381 177532722 /nfs/dbraw/zinc/53/27/22/177532722.db2.gz WXIMGLRXLMSERR-IACUBPJLSA-N 1 0 249.402 3.269 10 0 BGAERO Cc1nc[nH]c1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000054796626 178845680 /nfs/dbraw/zinc/84/56/80/178845680.db2.gz CHWUAXNQFQLSLK-GFCCVEGCSA-N 1 0 243.354 3.186 10 0 BGAERO CCC1CCC(C[NH2+]Cc2[nH]cnc2C)CC1 ZINC000054796853 168514715 /nfs/dbraw/zinc/51/47/15/168514715.db2.gz ACCMROMJMFXZPA-UHFFFAOYSA-N 1 0 235.375 3.024 10 0 BGAERO CC[C@H]([NH2+]Cc1[nH]cnc1C)C1CCCCC1 ZINC000054797549 171533109 /nfs/dbraw/zinc/53/31/09/171533109.db2.gz OTUGMJAXOZORJA-ZDUSSCGKSA-N 1 0 235.375 3.167 10 0 BGAERO Cc1cc(C[NH3+])nc(-c2cccc3ccccc32)n1 ZINC000054830786 177983166 /nfs/dbraw/zinc/98/31/66/177983166.db2.gz FFBRSDIBPUGQTL-UHFFFAOYSA-N 1 0 249.317 3.064 10 0 BGAERO CCC[NH2+]Cc1cc(C)nc(-c2ccsc2)n1 ZINC000054831328 169266041 /nfs/dbraw/zinc/26/60/41/169266041.db2.gz NTMPXIHVWZOQOK-UHFFFAOYSA-N 1 0 247.367 3.013 10 0 BGAERO Cc1cc(C[NH2+]C(C)(C)C)nc(C2CCCC2)n1 ZINC000054832146 178016530 /nfs/dbraw/zinc/01/65/30/178016530.db2.gz UWGNCLZFKRJPQU-UHFFFAOYSA-N 1 0 247.386 3.331 10 0 BGAERO CCC[NH2+]Cc1c(C)nc(C2CCCC2)nc1C ZINC000054854203 169266059 /nfs/dbraw/zinc/26/60/59/169266059.db2.gz FZOCDYIPGXHQFS-UHFFFAOYSA-N 1 0 247.386 3.251 10 0 BGAERO Cc1nc(CC(C)C)nc(C)c1C[NH2+]C(C)(C)C ZINC000054854451 179930757 /nfs/dbraw/zinc/93/07/57/179930757.db2.gz FSVFQXPFPSCNIS-UHFFFAOYSA-N 1 0 249.402 3.180 10 0 BGAERO CCC[NH2+]Cc1cnc(C2CCC(C)CC2)nc1 ZINC000054855969 169269369 /nfs/dbraw/zinc/26/93/69/169269369.db2.gz KBVVMDDVQFDXAM-UHFFFAOYSA-N 1 0 247.386 3.270 10 0 BGAERO C[C@@H]1CCC[C@H](c2ncc(C[NH2+]C3CC3)cn2)C1 ZINC000054856234 176146927 /nfs/dbraw/zinc/14/69/27/176146927.db2.gz WWSIQRFBNDEKJR-YPMHNXCESA-N 1 0 245.370 3.022 10 0 BGAERO C[C@H]1CCC[C@H](c2ncc(C[NH2+]C3CC3)cn2)C1 ZINC000054856236 177139087 /nfs/dbraw/zinc/13/90/87/177139087.db2.gz WWSIQRFBNDEKJR-AAEUAGOBSA-N 1 0 245.370 3.022 10 0 BGAERO C[C@@H]1CCC[C@@H](c2ncc(C[NH2+]C3CC3)cn2)C1 ZINC000054856237 176125796 /nfs/dbraw/zinc/12/57/96/176125796.db2.gz WWSIQRFBNDEKJR-DGCLKSJQSA-N 1 0 245.370 3.022 10 0 BGAERO C[C@H]1CCC[C@@H](c2ncc(C[NH2+]C3CC3)cn2)C1 ZINC000054856238 177123461 /nfs/dbraw/zinc/12/34/61/177123461.db2.gz WWSIQRFBNDEKJR-WCQYABFASA-N 1 0 245.370 3.022 10 0 BGAERO C[C@@H]([NH3+])c1cnc(N(C)[C@@H](C)C(C)(C)C)s1 ZINC000054896655 176745610 /nfs/dbraw/zinc/74/56/10/176745610.db2.gz QLQUSKZFBCFNLS-BDAKNGLRSA-N 1 0 241.404 3.034 10 0 BGAERO CC[NH2+]Cc1cnc(N(C)c2ccccc2)s1 ZINC000054900390 170130657 /nfs/dbraw/zinc/13/06/57/170130657.db2.gz MHZMCYURTVFXSS-UHFFFAOYSA-N 1 0 247.367 3.021 10 0 BGAERO Cc1cc(C[C@H]([NH3+])CC(C)C)c(C)s1 ZINC000054928657 178057878 /nfs/dbraw/zinc/05/78/78/178057878.db2.gz RCBSRNUPMIGNKK-GFCCVEGCSA-N 1 0 211.374 3.281 10 0 BGAERO Cc1cc(C[C@@H]([NH3+])CC(C)C)c(C)s1 ZINC000054928658 178054574 /nfs/dbraw/zinc/05/45/74/178054574.db2.gz RCBSRNUPMIGNKK-LBPRGKRZSA-N 1 0 211.374 3.281 10 0 BGAERO COc1ccc([C@@H]2CC[NH2+][C@@H]2CC(C)C)cc1C ZINC000054928667 175183815 /nfs/dbraw/zinc/18/38/15/175183815.db2.gz BUAIQWMTIGKCHO-LSDHHAIUSA-N 1 0 247.382 3.495 10 0 BGAERO COc1ccc([C@H]2CC[NH2+][C@@H]2CC(C)C)cc1C ZINC000054928668 175195718 /nfs/dbraw/zinc/19/57/18/175195718.db2.gz BUAIQWMTIGKCHO-HUUCEWRRSA-N 1 0 247.382 3.495 10 0 BGAERO COc1ccc([C@@H]2CC[NH2+][C@H]2CC(C)C)cc1C ZINC000054928669 175183919 /nfs/dbraw/zinc/18/39/19/175183919.db2.gz BUAIQWMTIGKCHO-GJZGRUSLSA-N 1 0 247.382 3.495 10 0 BGAERO COc1ccc([C@H]2CC[NH2+][C@H]2CC(C)C)cc1C ZINC000054928670 175195789 /nfs/dbraw/zinc/19/57/89/175195789.db2.gz BUAIQWMTIGKCHO-CABCVRRESA-N 1 0 247.382 3.495 10 0 BGAERO CC(C)C[C@H]1[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000054929015 188127460 /nfs/dbraw/zinc/12/74/60/188127460.db2.gz FHALAEYJFSCWPI-SMDDNHRTSA-N 1 0 239.309 3.456 10 0 BGAERO CC(C)C[C@H]1[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000054929017 187272309 /nfs/dbraw/zinc/27/23/09/187272309.db2.gz FHALAEYJFSCWPI-BXUZGUMPSA-N 1 0 239.309 3.456 10 0 BGAERO Cc1ccc([C@H]2CC[NH2+][C@@H]2CC(C)C)o1 ZINC000054929120 178920076 /nfs/dbraw/zinc/92/00/76/178920076.db2.gz JVYULJNVCDSTAV-NWDGAFQWSA-N 1 0 207.317 3.080 10 0 BGAERO Cc1ccc([C@H]2CC[NH2+][C@H]2CC(C)C)o1 ZINC000054929122 178921137 /nfs/dbraw/zinc/92/11/37/178921137.db2.gz JVYULJNVCDSTAV-RYUDHWBXSA-N 1 0 207.317 3.080 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@H](O)c1csc2ccccc21 ZINC000054929415 187611248 /nfs/dbraw/zinc/61/12/48/187611248.db2.gz QMZXUGXFPMCIOC-GXTWGEPZSA-N 1 0 249.379 3.308 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1csc2ccccc21 ZINC000054929416 188300665 /nfs/dbraw/zinc/30/06/65/188300665.db2.gz QMZXUGXFPMCIOC-TZMCWYRMSA-N 1 0 249.379 3.308 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1csc2ccccc21 ZINC000054929418 187272055 /nfs/dbraw/zinc/27/20/55/187272055.db2.gz QMZXUGXFPMCIOC-OCCSQVGLSA-N 1 0 249.379 3.308 10 0 BGAERO Cc1cc(C)c([C@H](O)[C@H]([NH3+])CC(C)C)c(C)c1 ZINC000054929471 345566528 /nfs/dbraw/zinc/56/65/28/345566528.db2.gz PBOTWYSODHTHND-UKRRQHHQSA-N 1 0 235.371 3.019 10 0 BGAERO Cc1cc(C)c([C@@H](O)[C@H]([NH3+])CC(C)C)c(C)c1 ZINC000054929472 345566547 /nfs/dbraw/zinc/56/65/47/345566547.db2.gz PBOTWYSODHTHND-HIFRSBDPSA-N 1 0 235.371 3.019 10 0 BGAERO Cc1cc(C)c([C@H](O)[C@@H]([NH3+])CC(C)C)c(C)c1 ZINC000054929473 345566568 /nfs/dbraw/zinc/56/65/68/345566568.db2.gz PBOTWYSODHTHND-DZGCQCFKSA-N 1 0 235.371 3.019 10 0 BGAERO Cc1cc(C)c([C@@H](O)[C@@H]([NH3+])CC(C)C)c(C)c1 ZINC000054929474 345566385 /nfs/dbraw/zinc/56/63/85/345566385.db2.gz PBOTWYSODHTHND-ZFWWWQNUSA-N 1 0 235.371 3.019 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@H](O)c1ccc2ccccc2c1 ZINC000054929491 384514722 /nfs/dbraw/zinc/51/47/22/384514722.db2.gz ZRTZPBCHOZPUHM-JKSUJKDBSA-N 1 0 243.350 3.247 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1ccc2ccccc2c1 ZINC000054929492 188126825 /nfs/dbraw/zinc/12/68/25/188126825.db2.gz ZRTZPBCHOZPUHM-HZPDHXFCSA-N 1 0 243.350 3.247 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1ccc2ccccc2c1 ZINC000054929493 345566614 /nfs/dbraw/zinc/56/66/14/345566614.db2.gz ZRTZPBCHOZPUHM-HOTGVXAUSA-N 1 0 243.350 3.247 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1ccc2ccccc2c1 ZINC000054929494 188127424 /nfs/dbraw/zinc/12/74/24/188127424.db2.gz ZRTZPBCHOZPUHM-CVEARBPZSA-N 1 0 243.350 3.247 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@H](O)c1cccc2ccccc21 ZINC000054929579 187611869 /nfs/dbraw/zinc/61/18/69/187611869.db2.gz MWAKGTLEJITKOY-JKSUJKDBSA-N 1 0 243.350 3.247 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@H](O)c1cccc2ccccc21 ZINC000054929580 187437771 /nfs/dbraw/zinc/43/77/71/187437771.db2.gz MWAKGTLEJITKOY-HZPDHXFCSA-N 1 0 243.350 3.247 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@@H](O)c1cccc2ccccc21 ZINC000054929581 345561869 /nfs/dbraw/zinc/56/18/69/345561869.db2.gz MWAKGTLEJITKOY-HOTGVXAUSA-N 1 0 243.350 3.247 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@@H](O)c1cccc2ccccc21 ZINC000054929582 384511793 /nfs/dbraw/zinc/51/17/93/384511793.db2.gz MWAKGTLEJITKOY-CVEARBPZSA-N 1 0 243.350 3.247 10 0 BGAERO Clc1ccc(Cl)c(SC2C[NH2+]C2)c1 ZINC000054931748 345561201 /nfs/dbraw/zinc/56/12/01/345561201.db2.gz QOEFTJWLYRAWJJ-UHFFFAOYSA-N 1 0 234.151 3.057 10 0 BGAERO [NH3+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000054931914 349088594 /nfs/dbraw/zinc/08/85/94/349088594.db2.gz UEFBQEGIZYTATN-UHFFFAOYSA-N 1 0 235.233 3.216 10 0 BGAERO [NH3+]Cc1ccccc1COc1cc(F)cc(F)c1 ZINC000054932518 188127060 /nfs/dbraw/zinc/12/70/60/188127060.db2.gz KRCONSKKRPNWSA-UHFFFAOYSA-N 1 0 249.260 3.003 10 0 BGAERO CC(C)Cc1c(C[NH3+])oc2cc(F)cc(F)c21 ZINC000054932639 188126674 /nfs/dbraw/zinc/12/66/74/188126674.db2.gz FBBKDWZZXCDOGJ-UHFFFAOYSA-N 1 0 239.265 3.368 10 0 BGAERO CC[NH2+][C@H](CC)[C@@H](C)Oc1cc(F)cc(F)c1 ZINC000054932713 170160763 /nfs/dbraw/zinc/16/07/63/170160763.db2.gz JWFNVHCLGNHNDN-NOZJJQNGSA-N 1 0 243.297 3.120 10 0 BGAERO CC[NH2+][C@@H](CC)[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054932714 170144160 /nfs/dbraw/zinc/14/41/60/170144160.db2.gz JWFNVHCLGNHNDN-ZANVPECISA-N 1 0 243.297 3.120 10 0 BGAERO CC[NH2+][C@H](CC)[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054932715 170161183 /nfs/dbraw/zinc/16/11/83/170161183.db2.gz JWFNVHCLGNHNDN-TVQRCGJNSA-N 1 0 243.297 3.120 10 0 BGAERO CC[NH2+]CCCCCOc1cc(F)cc(F)c1 ZINC000054934567 170112161 /nfs/dbraw/zinc/11/21/61/170112161.db2.gz OHZNHELOJUQHEQ-UHFFFAOYSA-N 1 0 243.297 3.123 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](C)Oc1cc(F)cc(F)c1 ZINC000054934950 171341471 /nfs/dbraw/zinc/34/14/71/171341471.db2.gz TXTBFCQMFRFKTD-VHSXEESVSA-N 1 0 243.297 3.120 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054934953 171341890 /nfs/dbraw/zinc/34/18/90/171341890.db2.gz TXTBFCQMFRFKTD-UWVGGRQHSA-N 1 0 243.297 3.120 10 0 BGAERO CCCC[NH2+]C[C@H](C)Oc1cc(F)cc(F)c1 ZINC000054934969 168868221 /nfs/dbraw/zinc/86/82/21/168868221.db2.gz ZKTQKOJXIULUMB-JTQLQIEISA-N 1 0 243.297 3.122 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961117 170140401 /nfs/dbraw/zinc/14/04/01/170140401.db2.gz MJLKAVYWVYRNAG-QWHCGFSZSA-N 1 0 243.354 3.109 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961118 170158388 /nfs/dbraw/zinc/15/83/88/170158388.db2.gz MJLKAVYWVYRNAG-CHWSQXEVSA-N 1 0 243.354 3.109 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961119 170140849 /nfs/dbraw/zinc/14/08/49/170140849.db2.gz MJLKAVYWVYRNAG-STQMWFEESA-N 1 0 243.354 3.109 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961120 170158735 /nfs/dbraw/zinc/15/87/35/170158735.db2.gz MJLKAVYWVYRNAG-OLZOCXBDSA-N 1 0 243.354 3.109 10 0 BGAERO CC[C@@H]([NH2+]C)[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054961236 170889087 /nfs/dbraw/zinc/88/90/87/170889087.db2.gz SBORXACUOYAOKC-IUODEOHRSA-N 1 0 243.354 3.109 10 0 BGAERO CCC[NH2+]C[C@@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962038 169262048 /nfs/dbraw/zinc/26/20/48/169262048.db2.gz ORDUNQXWMXCION-CYBMUJFWSA-N 1 0 243.354 3.111 10 0 BGAERO CCC[NH2+]C[C@H](C)n1cc(-c2ccccc2)cn1 ZINC000054962039 169263596 /nfs/dbraw/zinc/26/35/96/169263596.db2.gz ORDUNQXWMXCION-ZDUSSCGKSA-N 1 0 243.354 3.111 10 0 BGAERO Cc1nc([C@@H]2CCC[C@H](C)C2)ncc1[C@@H](C)[NH3+] ZINC000054962564 180044712 /nfs/dbraw/zinc/04/47/12/180044712.db2.gz VRWWBHZDKUJQJT-HOSYDEDBSA-N 1 0 233.359 3.098 10 0 BGAERO Cc1nc([C@H]2CCC[C@H](C)C2)ncc1[C@@H](C)[NH3+] ZINC000054962565 180057254 /nfs/dbraw/zinc/05/72/54/180057254.db2.gz VRWWBHZDKUJQJT-UMNHJUIQSA-N 1 0 233.359 3.098 10 0 BGAERO Cc1nc([C@@H]2CCC[C@@H](C)C2)ncc1[C@@H](C)[NH3+] ZINC000054962566 180045972 /nfs/dbraw/zinc/04/59/72/180045972.db2.gz VRWWBHZDKUJQJT-CKYFFXLPSA-N 1 0 233.359 3.098 10 0 BGAERO Cc1nc([C@H]2CCC[C@@H](C)C2)ncc1[C@@H](C)[NH3+] ZINC000054962567 180056497 /nfs/dbraw/zinc/05/64/97/180056497.db2.gz VRWWBHZDKUJQJT-FOGDFJRCSA-N 1 0 233.359 3.098 10 0 BGAERO CCC[NH2+][C@@H](C)c1cnc(C(C)(C)C)nc1C ZINC000054963104 169277398 /nfs/dbraw/zinc/27/73/98/169277398.db2.gz SQNSTOISICXMIZ-JTQLQIEISA-N 1 0 235.375 3.143 10 0 BGAERO CCC[NH2+][C@H](C)c1cnc(C(C)(C)C)nc1C ZINC000054963105 169288221 /nfs/dbraw/zinc/28/82/21/169288221.db2.gz SQNSTOISICXMIZ-SNVBAGLBSA-N 1 0 235.375 3.143 10 0 BGAERO Cc1ccccc1CSc1ccc(C[NH3+])cn1 ZINC000054964248 179287695 /nfs/dbraw/zinc/28/76/95/179287695.db2.gz VTRHWXCAFTXFRV-UHFFFAOYSA-N 1 0 244.363 3.141 10 0 BGAERO [NH2+]=C1CCCCN1c1cnc2ccccc2c1 ZINC000055142235 132365354 /nfs/dbraw/zinc/36/53/54/132365354.db2.gz RYPXBWIVZZSSJA-UHFFFAOYSA-N 1 0 225.295 3.202 10 0 BGAERO [NH3+]C1CCC(OCc2ccc(Cl)cc2)CC1 ZINC000055142986 181342342 /nfs/dbraw/zinc/34/23/42/181342342.db2.gz LLBMQHTYDAHGRI-UHFFFAOYSA-N 1 0 239.746 3.127 10 0 BGAERO [NH3+]C1CCC(OCc2ccc(Cl)s2)CC1 ZINC000055143045 181342492 /nfs/dbraw/zinc/34/24/92/181342492.db2.gz JPZKTZMJXXIMQX-UHFFFAOYSA-N 1 0 245.775 3.188 10 0 BGAERO [NH3+]C1CCC(OCc2ccccc2Cl)CC1 ZINC000055143087 181342290 /nfs/dbraw/zinc/34/22/90/181342290.db2.gz XMZGPFRGYUIHBU-UHFFFAOYSA-N 1 0 239.746 3.127 10 0 BGAERO [NH3+]C1CCC(OCc2cccc(Cl)c2)CC1 ZINC000055143118 181342565 /nfs/dbraw/zinc/34/25/65/181342565.db2.gz BUPOIURDKUEKSP-UHFFFAOYSA-N 1 0 239.746 3.127 10 0 BGAERO [NH3+]C1CCC(SCc2ccccc2)CC1 ZINC000055143697 181342122 /nfs/dbraw/zinc/34/21/22/181342122.db2.gz ZQGZJCZDJCKIAM-UHFFFAOYSA-N 1 0 221.369 3.190 10 0 BGAERO COc1cccc(SC2CCC([NH3+])CC2)c1 ZINC000055143705 188300614 /nfs/dbraw/zinc/30/06/14/188300614.db2.gz QVTAGLUDMBVLIJ-UHFFFAOYSA-N 1 0 237.368 3.057 10 0 BGAERO [NH3+]C1CCC(Sc2cccs2)CC1 ZINC000055143765 181342465 /nfs/dbraw/zinc/34/24/65/181342465.db2.gz WIHPIZSPZHDCAE-UHFFFAOYSA-N 1 0 213.371 3.110 10 0 BGAERO [NH3+]C1CCC(SC2CCCCC2)CC1 ZINC000055143807 181342371 /nfs/dbraw/zinc/34/23/71/181342371.db2.gz DOQONWFSGDUTAW-UHFFFAOYSA-N 1 0 213.390 3.322 10 0 BGAERO [NH3+]C1CCC(Oc2cccc3ccccc32)CC1 ZINC000055144014 181342067 /nfs/dbraw/zinc/34/20/67/181342067.db2.gz QGXJAOZIGZNHOQ-UHFFFAOYSA-N 1 0 241.334 3.489 10 0 BGAERO CC(C)c1ccccc1OC1CCC([NH3+])CC1 ZINC000055144029 167642970 /nfs/dbraw/zinc/64/29/70/167642970.db2.gz OUTQFTPJPGRBCB-UHFFFAOYSA-N 1 0 233.355 3.459 10 0 BGAERO CCCOc1ccc(OC2CCC([NH3+])CC2)cc1 ZINC000055144084 169320832 /nfs/dbraw/zinc/32/08/32/169320832.db2.gz KRBOKOZUKQAMEI-UHFFFAOYSA-N 1 0 249.354 3.124 10 0 BGAERO CCCc1ccc(OC2CCC([NH3+])CC2)cc1 ZINC000055144185 169572733 /nfs/dbraw/zinc/57/27/33/169572733.db2.gz KSQXGZRLQITEJI-UHFFFAOYSA-N 1 0 233.355 3.288 10 0 BGAERO Cc1cc2ncn(C3CCC([NH3+])CC3)c2cc1C ZINC000055144708 178305270 /nfs/dbraw/zinc/30/52/70/178305270.db2.gz NPKPNUCGBRSWOQ-UHFFFAOYSA-N 1 0 243.354 3.096 10 0 BGAERO CC[NH2+]C1CCC(n2c(C)ccc2C)CC1 ZINC000055170214 170108840 /nfs/dbraw/zinc/10/88/40/170108840.db2.gz VPDSSVBDGYKRTE-UHFFFAOYSA-N 1 0 220.360 3.198 10 0 BGAERO COc1ccc(C2([NH3+])CCC(C)CC2)cc1OC ZINC000055193707 175084270 /nfs/dbraw/zinc/08/42/70/175084270.db2.gz JJYJSXGVJUDYDJ-UHFFFAOYSA-N 1 0 249.354 3.068 10 0 BGAERO COc1ccc([C@@]2([NH3+])CCCC[C@@H]2C)cc1OC ZINC000055194100 187272569 /nfs/dbraw/zinc/27/25/69/187272569.db2.gz AEUSQCONSQHHSY-XHDPSFHLSA-N 1 0 249.354 3.068 10 0 BGAERO COc1ccc([C@]2([NH3+])CCCC[C@@H]2C)cc1OC ZINC000055194105 188127037 /nfs/dbraw/zinc/12/70/37/188127037.db2.gz AEUSQCONSQHHSY-NHYWBVRUSA-N 1 0 249.354 3.068 10 0 BGAERO Cc1ccc(F)cc1C1([NH3+])Cc2ccccc2C1 ZINC000055194361 178684714 /nfs/dbraw/zinc/68/47/14/178684714.db2.gz BXOHGRAMMQHSPB-UHFFFAOYSA-N 1 0 241.309 3.087 10 0 BGAERO Cc1cc([C@]2([NH3+])CCc3ccccc32)ccc1F ZINC000055194580 178270570 /nfs/dbraw/zinc/27/05/70/178270570.db2.gz WQMJLAYMZQJJSQ-MRXNPFEDSA-N 1 0 241.309 3.283 10 0 BGAERO Cc1cc([C@@]2([NH3+])CCc3ccccc32)ccc1F ZINC000055194585 178243723 /nfs/dbraw/zinc/24/37/23/178243723.db2.gz WQMJLAYMZQJJSQ-INIZCTEOSA-N 1 0 241.309 3.283 10 0 BGAERO Cc1cc([C@](C)([NH3+])c2cccc(F)c2)ccc1F ZINC000055195341 178269156 /nfs/dbraw/zinc/26/91/56/178269156.db2.gz SIMPWIDUXOCGLG-OAHLLOKOSA-N 1 0 247.288 3.495 10 0 BGAERO Cc1cc([C@@](C)([NH3+])c2cccc(F)c2)ccc1F ZINC000055195343 178242731 /nfs/dbraw/zinc/24/27/31/178242731.db2.gz SIMPWIDUXOCGLG-HNNXBMFYSA-N 1 0 247.288 3.495 10 0 BGAERO Cc1cc(F)ccc1[C@](C)([NH3+])c1ccccc1F ZINC000055195470 178092398 /nfs/dbraw/zinc/09/23/98/178092398.db2.gz VYNGPHCMCXFPDX-HNNXBMFYSA-N 1 0 247.288 3.495 10 0 BGAERO Cc1cc(F)ccc1[C@@](C)([NH3+])c1ccccc1F ZINC000055195474 178092537 /nfs/dbraw/zinc/09/25/37/178092537.db2.gz VYNGPHCMCXFPDX-OAHLLOKOSA-N 1 0 247.288 3.495 10 0 BGAERO CC[C@](C)([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000055196955 349086100 /nfs/dbraw/zinc/08/61/00/349086100.db2.gz ZZBVMHNZNFKKQT-JTQLQIEISA-N 1 0 217.234 3.289 10 0 BGAERO CC[C@@](C)([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000055196959 349938576 /nfs/dbraw/zinc/93/85/76/349938576.db2.gz ZZBVMHNZNFKKQT-SNVBAGLBSA-N 1 0 217.234 3.289 10 0 BGAERO CCOc1ccc([C@@](C)([NH3+])CC)cc1OCC ZINC000055197004 170561665 /nfs/dbraw/zinc/56/16/65/170561665.db2.gz HGKOLNCZXPVAPN-AWEZNQCLSA-N 1 0 237.343 3.068 10 0 BGAERO CCOc1ccc([C@](C)([NH3+])CC)cc1OCC ZINC000055197011 170564852 /nfs/dbraw/zinc/56/48/52/170564852.db2.gz HGKOLNCZXPVAPN-CQSZACIVSA-N 1 0 237.343 3.068 10 0 BGAERO CC(C)[C@](C)([NH3+])c1ccccc1OC(F)(F)F ZINC000055197128 167525565 /nfs/dbraw/zinc/52/55/65/167525565.db2.gz MCHRKENARCVXEV-NSHDSACASA-N 1 0 247.260 3.415 10 0 BGAERO CC(C)[C@@](C)([NH3+])c1ccccc1OC(F)(F)F ZINC000055197132 188127131 /nfs/dbraw/zinc/12/71/31/188127131.db2.gz MCHRKENARCVXEV-LLVKDONJSA-N 1 0 247.260 3.415 10 0 BGAERO COCC[C@@](C)([NH3+])c1cc(Cl)ccc1Cl ZINC000055198401 174399797 /nfs/dbraw/zinc/39/97/97/174399797.db2.gz YVTNDQLSUUMLTL-LLVKDONJSA-N 1 0 248.153 3.204 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccc(F)cc2C)c1 ZINC000055206165 179200199 /nfs/dbraw/zinc/20/01/99/179200199.db2.gz WDACRXVNJFOVKA-HNNXBMFYSA-N 1 0 229.298 3.491 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)cc2C)c1 ZINC000055206167 179186233 /nfs/dbraw/zinc/18/62/33/179186233.db2.gz WDACRXVNJFOVKA-OAHLLOKOSA-N 1 0 229.298 3.491 10 0 BGAERO CC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055206186 369144131 /nfs/dbraw/zinc/14/41/31/369144131.db2.gz JFGPNUHLPSMRSX-QMMMGPOBSA-N 1 0 204.100 3.403 10 0 BGAERO CC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055206190 369144142 /nfs/dbraw/zinc/14/41/42/369144142.db2.gz JFGPNUHLPSMRSX-MRVPVSSYSA-N 1 0 204.100 3.403 10 0 BGAERO CCC[C@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000055222620 369148824 /nfs/dbraw/zinc/14/88/24/369148824.db2.gz FFQSXSBFCIWHRL-VIFPVBQESA-N 1 0 233.233 3.385 10 0 BGAERO CCC[C@@H]([NH3+])c1ccccc1OC(F)(F)F ZINC000055222622 369148911 /nfs/dbraw/zinc/14/89/11/369148911.db2.gz FFQSXSBFCIWHRL-SECBINFHSA-N 1 0 233.233 3.385 10 0 BGAERO [NH3+][C@@H](c1cccc(Cl)c1Cl)C1CC1 ZINC000055222624 369149155 /nfs/dbraw/zinc/14/91/55/369149155.db2.gz OWYGIZQRPLUCNT-SNVBAGLBSA-N 1 0 216.111 3.403 10 0 BGAERO [NH3+][C@H](c1cccc(Cl)c1Cl)C1CC1 ZINC000055222626 369148593 /nfs/dbraw/zinc/14/85/93/369148593.db2.gz OWYGIZQRPLUCNT-JTQLQIEISA-N 1 0 216.111 3.403 10 0 BGAERO CC[NH2+][C@H](c1ccccn1)c1ccc(F)cc1C ZINC000055222954 170165021 /nfs/dbraw/zinc/16/50/21/170165021.db2.gz JQFKKSGBGLJJTA-HNNXBMFYSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@@H](c1ccccn1)c1ccc(F)cc1C ZINC000055222956 170148897 /nfs/dbraw/zinc/14/88/97/170148897.db2.gz JQFKKSGBGLJJTA-OAHLLOKOSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@@H](c1ccncc1)c1cc(F)cc(F)c1 ZINC000055223174 170148813 /nfs/dbraw/zinc/14/88/13/170148813.db2.gz DHSPEFVZCSNQFX-AWEZNQCLSA-N 1 0 248.276 3.059 10 0 BGAERO CC[NH2+][C@H](c1ccncc1)c1cc(F)cc(F)c1 ZINC000055223176 170165407 /nfs/dbraw/zinc/16/54/07/170165407.db2.gz DHSPEFVZCSNQFX-CQSZACIVSA-N 1 0 248.276 3.059 10 0 BGAERO CC[NH2+][C@@H](c1ccncc1)c1cc(C)ccc1F ZINC000055223192 170148181 /nfs/dbraw/zinc/14/81/81/170148181.db2.gz RJKLFPBWOQDGLR-HNNXBMFYSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@H](c1ccncc1)c1cc(C)ccc1F ZINC000055223194 170164866 /nfs/dbraw/zinc/16/48/66/170164866.db2.gz RJKLFPBWOQDGLR-OAHLLOKOSA-N 1 0 244.313 3.228 10 0 BGAERO CC[C@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000055224066 369148791 /nfs/dbraw/zinc/14/87/91/369148791.db2.gz RVZNUAUZEZXEQQ-JTQLQIEISA-N 1 0 217.234 3.376 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccc(C(F)(F)F)cc1 ZINC000055224067 369149066 /nfs/dbraw/zinc/14/90/66/369149066.db2.gz RVZNUAUZEZXEQQ-SNVBAGLBSA-N 1 0 217.234 3.376 10 0 BGAERO C[NH2+][C@@H](C)c1cccc(Cl)c1Cl ZINC000055224130 343666066 /nfs/dbraw/zinc/66/60/66/343666066.db2.gz OHVGFBXSCKTBNK-LURJTMIESA-N 1 0 204.100 3.274 10 0 BGAERO C[NH2+][C@H](C)c1cccc(Cl)c1Cl ZINC000055224132 369148719 /nfs/dbraw/zinc/14/87/19/369148719.db2.gz OHVGFBXSCKTBNK-ZCFIWIBFSA-N 1 0 204.100 3.274 10 0 BGAERO Cc1ccc(F)cc1[C@H]([NH3+])CC(F)(F)F ZINC000055225494 370577764 /nfs/dbraw/zinc/57/77/64/370577764.db2.gz SFWGTXRIMZARTM-SECBINFHSA-N 1 0 221.197 3.086 10 0 BGAERO Cc1ccc(F)cc1[C@@H]([NH3+])CC(F)(F)F ZINC000055225497 370577692 /nfs/dbraw/zinc/57/76/92/370577692.db2.gz SFWGTXRIMZARTM-VIFPVBQESA-N 1 0 221.197 3.086 10 0 BGAERO Cc1cc(F)ccc1[C@H]([NH3+])CC(F)(F)F ZINC000055225503 370577820 /nfs/dbraw/zinc/57/78/20/370577820.db2.gz DPRGRINLKFRBBG-SECBINFHSA-N 1 0 221.197 3.086 10 0 BGAERO Cc1cc(F)ccc1[C@@H]([NH3+])CC(F)(F)F ZINC000055225507 370577782 /nfs/dbraw/zinc/57/77/82/370577782.db2.gz DPRGRINLKFRBBG-VIFPVBQESA-N 1 0 221.197 3.086 10 0 BGAERO Cc1cc([C@H]([NH3+])CC(F)(F)F)ccc1F ZINC000055225509 370577634 /nfs/dbraw/zinc/57/76/34/370577634.db2.gz CQGFZJWJUDTRTP-SECBINFHSA-N 1 0 221.197 3.086 10 0 BGAERO Cc1cc([C@@H]([NH3+])CC(F)(F)F)ccc1F ZINC000055225512 370577456 /nfs/dbraw/zinc/57/74/56/370577456.db2.gz CQGFZJWJUDTRTP-VIFPVBQESA-N 1 0 221.197 3.086 10 0 BGAERO Cc1ccc(F)c([C@H]([NH3+])CC(F)(F)F)c1 ZINC000055225514 370577747 /nfs/dbraw/zinc/57/77/47/370577747.db2.gz YLDYEISSHYQKOG-SECBINFHSA-N 1 0 221.197 3.086 10 0 BGAERO Cc1ccc(F)c([C@@H]([NH3+])CC(F)(F)F)c1 ZINC000055225517 370578093 /nfs/dbraw/zinc/57/80/93/370578093.db2.gz YLDYEISSHYQKOG-VIFPVBQESA-N 1 0 221.197 3.086 10 0 BGAERO COCC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055225725 174392650 /nfs/dbraw/zinc/39/26/50/174392650.db2.gz FFNURTRTYHLADT-SECBINFHSA-N 1 0 234.126 3.030 10 0 BGAERO COCC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000055225727 174415912 /nfs/dbraw/zinc/41/59/12/174415912.db2.gz VFCBNXIXBMJFPN-JTQLQIEISA-N 1 0 234.126 3.030 10 0 BGAERO COCC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000055225730 174392568 /nfs/dbraw/zinc/39/25/68/174392568.db2.gz VFCBNXIXBMJFPN-SNVBAGLBSA-N 1 0 234.126 3.030 10 0 BGAERO CCC[NH2+][C@@H](CCOC)c1cc(C)ccc1F ZINC000055225915 169277724 /nfs/dbraw/zinc/27/77/24/169277724.db2.gz PDDTUPBCPKBAIZ-AWEZNQCLSA-N 1 0 239.334 3.211 10 0 BGAERO CCC[NH2+][C@H](CCOC)c1cc(C)ccc1F ZINC000055225918 169289048 /nfs/dbraw/zinc/28/90/48/169289048.db2.gz PDDTUPBCPKBAIZ-CQSZACIVSA-N 1 0 239.334 3.211 10 0 BGAERO CC[NH2+][C@@H](COC)c1ccc(C(F)(F)F)cc1 ZINC000055226246 170146303 /nfs/dbraw/zinc/14/63/03/170146303.db2.gz XSGFXBCOWLJPJJ-NSHDSACASA-N 1 0 247.260 3.002 10 0 BGAERO CC[NH2+][C@H](COC)c1ccc(C(F)(F)F)cc1 ZINC000055226248 170162204 /nfs/dbraw/zinc/16/22/04/170162204.db2.gz XSGFXBCOWLJPJJ-LLVKDONJSA-N 1 0 247.260 3.002 10 0 BGAERO CCCOC[C@H]([NH2+]CC)c1cc(F)cc(F)c1 ZINC000055227640 169309882 /nfs/dbraw/zinc/30/98/82/169309882.db2.gz BJUHHDGKGREKTG-ZDUSSCGKSA-N 1 0 243.297 3.042 10 0 BGAERO CCCOC[C@@H]([NH2+]CC)c1cc(F)cc(F)c1 ZINC000055227643 169309675 /nfs/dbraw/zinc/30/96/75/169309675.db2.gz BJUHHDGKGREKTG-CYBMUJFWSA-N 1 0 243.297 3.042 10 0 BGAERO CCCOC[C@H]([NH2+]CC)c1ccc(F)cc1C ZINC000055227667 169310244 /nfs/dbraw/zinc/31/02/44/169310244.db2.gz PUYWJXDJVYXCGJ-AWEZNQCLSA-N 1 0 239.334 3.211 10 0 BGAERO CCCOC[C@@H]([NH2+]CC)c1ccc(F)cc1C ZINC000055227670 169309967 /nfs/dbraw/zinc/30/99/67/169309967.db2.gz PUYWJXDJVYXCGJ-CQSZACIVSA-N 1 0 239.334 3.211 10 0 BGAERO CC[NH2+][C@@H](c1ccco1)c1cc(F)ccc1C ZINC000055229583 170148920 /nfs/dbraw/zinc/14/89/20/170148920.db2.gz WWYQDFIFFWLVTB-CQSZACIVSA-N 1 0 233.286 3.426 10 0 BGAERO CC[NH2+][C@H](c1ccco1)c1cc(F)ccc1C ZINC000055229584 170165046 /nfs/dbraw/zinc/16/50/46/170165046.db2.gz WWYQDFIFFWLVTB-AWEZNQCLSA-N 1 0 233.286 3.426 10 0 BGAERO CSC[C@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055229622 369150961 /nfs/dbraw/zinc/15/09/61/369150961.db2.gz HROBXBHDJCAPBJ-QMMMGPOBSA-N 1 0 236.167 3.356 10 0 BGAERO CSC[C@@H]([NH3+])c1cccc(Cl)c1Cl ZINC000055229625 369150897 /nfs/dbraw/zinc/15/08/97/369150897.db2.gz HROBXBHDJCAPBJ-MRVPVSSYSA-N 1 0 236.167 3.356 10 0 BGAERO CSC[C@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000055229631 369150700 /nfs/dbraw/zinc/15/07/00/369150700.db2.gz BEIOZQXPOWRCFV-VIFPVBQESA-N 1 0 236.167 3.356 10 0 BGAERO CSC[C@@H]([NH3+])c1cc(Cl)ccc1Cl ZINC000055229633 369150781 /nfs/dbraw/zinc/15/07/81/369150781.db2.gz BEIOZQXPOWRCFV-SECBINFHSA-N 1 0 236.167 3.356 10 0 BGAERO CSC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000055229640 384876022 /nfs/dbraw/zinc/87/60/22/384876022.db2.gz MVRBFXYRJBBGAB-VIFPVBQESA-N 1 0 235.274 3.068 10 0 BGAERO CSC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000055229642 384877621 /nfs/dbraw/zinc/87/76/21/384877621.db2.gz MVRBFXYRJBBGAB-SECBINFHSA-N 1 0 235.274 3.068 10 0 BGAERO CSC[C@H]([NH3+])c1cccc2ccccc21 ZINC000055229684 175526334 /nfs/dbraw/zinc/52/63/34/175526334.db2.gz FMCKTGUOQFGXEX-ZDUSSCGKSA-N 1 0 217.337 3.203 10 0 BGAERO c1ccc2c(c1)cccc2C[C@@H]1CCC[NH2+]C1 ZINC000055229937 183439352 /nfs/dbraw/zinc/43/93/52/183439352.db2.gz CYABEZDXUCEGPZ-ZDUSSCGKSA-N 1 0 225.335 3.382 10 0 BGAERO c1ccc2cc(CC3CC[NH2+]CC3)ccc2c1 ZINC000055230028 385639605 /nfs/dbraw/zinc/63/96/05/385639605.db2.gz BNMDUCFDNPEQLU-UHFFFAOYSA-N 1 0 225.335 3.382 10 0 BGAERO CCOc1ccc([C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000055230955 170563922 /nfs/dbraw/zinc/56/39/22/170563922.db2.gz BBMHWCNYMXLQRC-ZIAGYGMSSA-N 1 0 219.328 3.070 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231152 384878158 /nfs/dbraw/zinc/87/81/58/384878158.db2.gz ARWAAPSLJYIWMJ-QWRGUYRKSA-N 1 0 229.245 3.300 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231153 181647756 /nfs/dbraw/zinc/64/77/56/181647756.db2.gz ARWAAPSLJYIWMJ-MNOVXSKESA-N 1 0 229.245 3.300 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231155 384875369 /nfs/dbraw/zinc/87/53/69/384875369.db2.gz ARWAAPSLJYIWMJ-WDEREUQCSA-N 1 0 229.245 3.300 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000055231156 181581998 /nfs/dbraw/zinc/58/19/98/181581998.db2.gz ARWAAPSLJYIWMJ-GHMZBOCLSA-N 1 0 229.245 3.300 10 0 BGAERO COc1ccc(C2([NH3+])CCCCCC2)c(OC)c1 ZINC000055232534 175084610 /nfs/dbraw/zinc/08/46/10/175084610.db2.gz XQEWEDPHAWWUMK-UHFFFAOYSA-N 1 0 249.354 3.212 10 0 BGAERO CC[NH2+][C@@H](COC)c1ccccc1C(F)(F)F ZINC000055234032 170146728 /nfs/dbraw/zinc/14/67/28/170146728.db2.gz XWVOZTPRSJECMD-NSHDSACASA-N 1 0 247.260 3.002 10 0 BGAERO CC[NH2+][C@H](COC)c1ccccc1C(F)(F)F ZINC000055234033 170162677 /nfs/dbraw/zinc/16/26/77/170162677.db2.gz XWVOZTPRSJECMD-LLVKDONJSA-N 1 0 247.260 3.002 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000055234160 384876859 /nfs/dbraw/zinc/87/68/59/384876859.db2.gz MTTDMGKJIKPRFW-ONGXEEELSA-N 1 0 229.245 3.300 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000055234161 181647569 /nfs/dbraw/zinc/64/75/69/181647569.db2.gz MTTDMGKJIKPRFW-KOLCDFICSA-N 1 0 229.245 3.300 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1c1ccccc1C(F)(F)F ZINC000055234162 384877786 /nfs/dbraw/zinc/87/77/86/384877786.db2.gz MTTDMGKJIKPRFW-GXSJLCMTSA-N 1 0 229.245 3.300 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1c1ccccc1C(F)(F)F ZINC000055234163 384875971 /nfs/dbraw/zinc/87/59/71/384875971.db2.gz MTTDMGKJIKPRFW-MWLCHTKSSA-N 1 0 229.245 3.300 10 0 BGAERO CCC[NH2+]CCc1ccccc1C(F)(F)F ZINC000055234175 169261233 /nfs/dbraw/zinc/26/12/33/169261233.db2.gz WRSBTDNMKXXZNJ-UHFFFAOYSA-N 1 0 231.261 3.248 10 0 BGAERO C[NH2+][C@H](C[C@@H]1CCCO1)c1ccc(C)cc1C ZINC000055235904 173453780 /nfs/dbraw/zinc/45/37/80/173453780.db2.gz DCFWBZOMXGHKRQ-DZGCQCFKSA-N 1 0 233.355 3.133 10 0 BGAERO Cc1ccc([C@@H]2CCCC[C@@H]2[NH3+])c(C)c1 ZINC000055236290 178872685 /nfs/dbraw/zinc/87/26/85/178872685.db2.gz QILQXSHINLJUNV-KBPBESRZSA-N 1 0 203.329 3.288 10 0 BGAERO CCOc1ccccc1[C@@H]([NH3+])c1ccsc1 ZINC000055240421 170598617 /nfs/dbraw/zinc/59/86/17/170598617.db2.gz XAHXBMUQVOCMNN-ZDUSSCGKSA-N 1 0 233.336 3.195 10 0 BGAERO CCOc1ccccc1[C@H]([NH3+])CC(F)(F)F ZINC000055240740 369157070 /nfs/dbraw/zinc/15/70/70/369157070.db2.gz ZNZCDUBOMJOJDI-SECBINFHSA-N 1 0 233.233 3.038 10 0 BGAERO CCOc1ccccc1[C@@H]([NH3+])CC(F)(F)F ZINC000055240742 369156743 /nfs/dbraw/zinc/15/67/43/369156743.db2.gz ZNZCDUBOMJOJDI-VIFPVBQESA-N 1 0 233.233 3.038 10 0 BGAERO CCOc1ccccc1[C@H]1CCCC[C@@H]1[NH3+] ZINC000055241055 170599786 /nfs/dbraw/zinc/59/97/86/170599786.db2.gz OCQJKRLIWPOCKD-YPMHNXCESA-N 1 0 219.328 3.070 10 0 BGAERO CCOc1ccccc1[C@@H]1CCCC[C@H]1[NH3+] ZINC000055241057 170598346 /nfs/dbraw/zinc/59/83/46/170598346.db2.gz OCQJKRLIWPOCKD-WCQYABFASA-N 1 0 219.328 3.070 10 0 BGAERO CCOc1ccccc1[C@H]1CCCC[C@@H]1[NH2+]C ZINC000055241095 170599970 /nfs/dbraw/zinc/59/99/70/170599970.db2.gz ZVSKGPUMDTYFGZ-OCCSQVGLSA-N 1 0 233.355 3.331 10 0 BGAERO CC(C)c1ccc([C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000055241598 167615961 /nfs/dbraw/zinc/61/59/61/167615961.db2.gz JPJAHHRFNCZMGW-UONOGXRCSA-N 1 0 203.329 3.405 10 0 BGAERO CC(C)c1ccc([C@H]2CCC[C@H]2[NH3+])cc1 ZINC000055241600 167620254 /nfs/dbraw/zinc/62/02/54/167620254.db2.gz JPJAHHRFNCZMGW-ZIAGYGMSSA-N 1 0 203.329 3.405 10 0 BGAERO C[C@@]([NH3+])(c1ccccc1)c1cc(F)ccc1F ZINC000055242694 176512956 /nfs/dbraw/zinc/51/29/56/176512956.db2.gz WCCZDHLSIQKTJC-CQSZACIVSA-N 1 0 233.261 3.187 10 0 BGAERO COc1ccc(C)cc1-c1ccccc1C[NH3+] ZINC000055243912 175072223 /nfs/dbraw/zinc/07/22/23/175072223.db2.gz QGYQVXNMAGVXNU-UHFFFAOYSA-N 1 0 227.307 3.129 10 0 BGAERO COc1ccc(C)cc1[C@]1([NH3+])CCC[C@H](C)C1 ZINC000055261799 175082964 /nfs/dbraw/zinc/08/29/64/175082964.db2.gz QUICSJBMJXEEKD-WFASDCNBSA-N 1 0 233.355 3.368 10 0 BGAERO COc1ccc(C)cc1[C@@]1([NH3+])CCC[C@H](C)C1 ZINC000055261801 175081294 /nfs/dbraw/zinc/08/12/94/175081294.db2.gz QUICSJBMJXEEKD-SWLSCSKDSA-N 1 0 233.355 3.368 10 0 BGAERO COc1ccc(C)cc1[C@]1([NH3+])CCC[C@@H](C)C1 ZINC000055261804 175083014 /nfs/dbraw/zinc/08/30/14/175083014.db2.gz QUICSJBMJXEEKD-DOMZBBRYSA-N 1 0 233.355 3.368 10 0 BGAERO COc1ccc(C)cc1[C@@]1([NH3+])CCC[C@@H](C)C1 ZINC000055261805 175081610 /nfs/dbraw/zinc/08/16/10/175081610.db2.gz QUICSJBMJXEEKD-IUODEOHRSA-N 1 0 233.355 3.368 10 0 BGAERO COc1ccc([C@]2([NH3+])CCCC[C@@H]2C)cc1F ZINC000055261917 188300385 /nfs/dbraw/zinc/30/03/85/188300385.db2.gz WUSKGFCOTIMVLA-HZMBPMFUSA-N 1 0 237.318 3.198 10 0 BGAERO CC[C@](C)([NH3+])c1ccc(OC(C)C)cc1 ZINC000055262317 171696811 /nfs/dbraw/zinc/69/68/11/171696811.db2.gz MHUVTUFQUQBUMY-ZDUSSCGKSA-N 1 0 207.317 3.058 10 0 BGAERO CC[C@@](C)([NH3+])c1ccc(OC(C)C)cc1 ZINC000055262318 171171532 /nfs/dbraw/zinc/17/15/32/171171532.db2.gz MHUVTUFQUQBUMY-CYBMUJFWSA-N 1 0 207.317 3.058 10 0 BGAERO CCCOc1ccc(C[C@@H]2CCCC[NH2+]2)cc1 ZINC000055264859 169319196 /nfs/dbraw/zinc/31/91/96/169319196.db2.gz JEYYTPMJRUYIHV-AWEZNQCLSA-N 1 0 233.355 3.160 10 0 BGAERO CCCOc1ccc(C[C@H]2CCCC[NH2+]2)cc1 ZINC000055264861 169319310 /nfs/dbraw/zinc/31/93/10/169319310.db2.gz JEYYTPMJRUYIHV-CQSZACIVSA-N 1 0 233.355 3.160 10 0 BGAERO CCCOc1ccc([C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000055265102 169321779 /nfs/dbraw/zinc/32/17/79/169321779.db2.gz AEQWFNHRUOQAJW-GJZGRUSLSA-N 1 0 233.355 3.460 10 0 BGAERO CCCOc1ccc([C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC000055265104 169322161 /nfs/dbraw/zinc/32/21/61/169322161.db2.gz AEQWFNHRUOQAJW-CABCVRRESA-N 1 0 233.355 3.460 10 0 BGAERO CCCOc1ccc([C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000055265106 169321953 /nfs/dbraw/zinc/32/19/53/169321953.db2.gz AEQWFNHRUOQAJW-LSDHHAIUSA-N 1 0 233.355 3.460 10 0 BGAERO CCCOc1ccc([C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000055265108 169322142 /nfs/dbraw/zinc/32/21/42/169322142.db2.gz AEQWFNHRUOQAJW-HUUCEWRRSA-N 1 0 233.355 3.460 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000055265150 167299974 /nfs/dbraw/zinc/29/99/74/167299974.db2.gz OGLPMUZEQSBRQN-KBPBESRZSA-N 1 0 219.328 3.069 10 0 BGAERO CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000055265152 167301617 /nfs/dbraw/zinc/30/16/17/167301617.db2.gz OGLPMUZEQSBRQN-KGLIPLIRSA-N 1 0 219.328 3.069 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000055265154 167300139 /nfs/dbraw/zinc/30/01/39/167300139.db2.gz OGLPMUZEQSBRQN-UONOGXRCSA-N 1 0 219.328 3.069 10 0 BGAERO CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH3+])cc1 ZINC000055265156 167300771 /nfs/dbraw/zinc/30/07/71/167300771.db2.gz OGLPMUZEQSBRQN-ZIAGYGMSSA-N 1 0 219.328 3.069 10 0 BGAERO COc1ccc([C@@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000055265174 175182301 /nfs/dbraw/zinc/18/23/01/175182301.db2.gz FVAVBIYIIDMPHK-AAEUAGOBSA-N 1 0 237.318 3.209 10 0 BGAERO COc1ccc([C@H]2CCCCC[C@@H]2[NH3+])cc1F ZINC000055265176 175194662 /nfs/dbraw/zinc/19/46/62/175194662.db2.gz FVAVBIYIIDMPHK-YPMHNXCESA-N 1 0 237.318 3.209 10 0 BGAERO COc1ccc([C@@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000055265179 175181783 /nfs/dbraw/zinc/18/17/83/175181783.db2.gz FVAVBIYIIDMPHK-WCQYABFASA-N 1 0 237.318 3.209 10 0 BGAERO COc1ccc([C@H]2CCCCC[C@H]2[NH3+])cc1F ZINC000055265181 175194907 /nfs/dbraw/zinc/19/49/07/175194907.db2.gz FVAVBIYIIDMPHK-DGCLKSJQSA-N 1 0 237.318 3.209 10 0 BGAERO CCC[NH2+]CCc1ccc(OCCC)cc1 ZINC000055265198 169261391 /nfs/dbraw/zinc/26/13/91/169261391.db2.gz ALJONJBRUIWOFT-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CCCOc1ccc(CC[NH2+]CC(C)C)cc1 ZINC000055265213 169318134 /nfs/dbraw/zinc/31/81/34/169318134.db2.gz XUJCBHFXHNRETF-UHFFFAOYSA-N 1 0 235.371 3.264 10 0 BGAERO Cc1csc(C[C@@H]([NH3+])c2cccc(C)c2)n1 ZINC000055267459 179200392 /nfs/dbraw/zinc/20/03/92/179200392.db2.gz HRJDKHAJPNHOOV-GFCCVEGCSA-N 1 0 232.352 3.002 10 0 BGAERO Cc1csc(C[C@H]([NH3+])c2cccc(C)c2)n1 ZINC000055267461 179186461 /nfs/dbraw/zinc/18/64/61/179186461.db2.gz HRJDKHAJPNHOOV-LBPRGKRZSA-N 1 0 232.352 3.002 10 0 BGAERO Cc1csc(C[C@@H]([NH3+])c2cc(C)ccc2C)n1 ZINC000055267519 178502908 /nfs/dbraw/zinc/50/29/08/178502908.db2.gz NNFOEPZZXGWBJA-CYBMUJFWSA-N 1 0 246.379 3.311 10 0 BGAERO CC[NH2+][C@@H](CCC(C)C)Cc1nc(C)cs1 ZINC000055268683 170145138 /nfs/dbraw/zinc/14/51/38/170145138.db2.gz COQJEMVMFXAFMQ-LBPRGKRZSA-N 1 0 240.416 3.408 10 0 BGAERO CC[NH2+][C@H](CCC(C)C)Cc1nc(C)cs1 ZINC000055268685 170161973 /nfs/dbraw/zinc/16/19/73/170161973.db2.gz COQJEMVMFXAFMQ-GFCCVEGCSA-N 1 0 240.416 3.408 10 0 BGAERO Cc1nc(C[C@@H]([NH3+])c2cccc(C)c2)cs1 ZINC000055294607 179200890 /nfs/dbraw/zinc/20/08/90/179200890.db2.gz MYTKSUGQQVLXHY-CYBMUJFWSA-N 1 0 232.352 3.002 10 0 BGAERO Cc1nc(C[C@H]([NH3+])c2cccc(C)c2)cs1 ZINC000055294608 179186811 /nfs/dbraw/zinc/18/68/11/179186811.db2.gz MYTKSUGQQVLXHY-ZDUSSCGKSA-N 1 0 232.352 3.002 10 0 BGAERO Cc1nc(C[C@@H]([NH3+])c2ccccc2C)cs1 ZINC000055294621 179981903 /nfs/dbraw/zinc/98/19/03/179981903.db2.gz LJWHAFXFTSLVPT-CYBMUJFWSA-N 1 0 232.352 3.002 10 0 BGAERO Cc1nc(C[C@H]([NH3+])c2ccccc2C)cs1 ZINC000055294622 179984268 /nfs/dbraw/zinc/98/42/68/179984268.db2.gz LJWHAFXFTSLVPT-ZDUSSCGKSA-N 1 0 232.352 3.002 10 0 BGAERO C[NH2+][C@@H](Cc1csc(C)n1)C1CCCCC1 ZINC000055294993 173426317 /nfs/dbraw/zinc/42/63/17/173426317.db2.gz NBRDOLNAYIVKMU-ZDUSSCGKSA-N 1 0 238.400 3.162 10 0 BGAERO C[NH2+][C@H](Cc1csc(C)n1)c1cccs1 ZINC000055295070 173454869 /nfs/dbraw/zinc/45/48/69/173454869.db2.gz UPEVEQBBOSLIPG-SNVBAGLBSA-N 1 0 238.381 3.016 10 0 BGAERO Clc1cn(CCC[NH2+]C2CC2)c2ccccc12 ZINC000055310804 180597509 /nfs/dbraw/zinc/59/75/09/180597509.db2.gz CQWSSHHXVHWFAH-UHFFFAOYSA-N 1 0 248.757 3.437 10 0 BGAERO Cc1ccc([C@@H]([NH3+])C2=CCCCC2)c(C)n1 ZINC000055330819 178857979 /nfs/dbraw/zinc/85/79/79/178857979.db2.gz UJIMOTXCTGBKEP-AWEZNQCLSA-N 1 0 216.328 3.199 10 0 BGAERO Cc1ccc(C[NH2+]Cc2cccs2)c(C)n1 ZINC000055330874 178614937 /nfs/dbraw/zinc/61/49/37/178614937.db2.gz YESCNGYJGQHJRC-UHFFFAOYSA-N 1 0 232.352 3.050 10 0 BGAERO CCC([NH3+])(CC)c1ccccc1Br ZINC000055336247 369195676 /nfs/dbraw/zinc/19/56/76/369195676.db2.gz YMRCHUDIXUTGLG-UHFFFAOYSA-N 1 0 242.160 3.423 10 0 BGAERO CC[C@H]([NH3+])c1ccc2cc(OC)ccc2c1 ZINC000055345919 171490589 /nfs/dbraw/zinc/49/05/89/171490589.db2.gz CCEPTKPFZVMJEE-AWEZNQCLSA-N 1 0 215.296 3.258 10 0 BGAERO CC[C@@H]([NH3+])c1ccc2cc(OC)ccc2c1 ZINC000055345922 398286181 /nfs/dbraw/zinc/28/61/81/398286181.db2.gz CCEPTKPFZVMJEE-CQSZACIVSA-N 1 0 215.296 3.258 10 0 BGAERO [NH3+]C1(Cc2nc3ccccc3s2)CCCC1 ZINC000057218433 181332457 /nfs/dbraw/zinc/33/24/57/181332457.db2.gz AXANOKLTTHKCFL-UHFFFAOYSA-N 1 0 232.352 3.110 10 0 BGAERO Cc1cc2[nH]c([C@@H]3CCCC[NH2+]3)nc2cc1Cl ZINC000057340804 178277368 /nfs/dbraw/zinc/27/73/68/178277368.db2.gz YJHVGJTVWKFDPT-JTQLQIEISA-N 1 0 249.745 3.339 10 0 BGAERO Cc1cc2[nH]c([C@H]3CCCC[NH2+]3)nc2cc1Cl ZINC000057340807 178277194 /nfs/dbraw/zinc/27/71/94/178277194.db2.gz YJHVGJTVWKFDPT-SNVBAGLBSA-N 1 0 249.745 3.339 10 0 BGAERO Cc1nn(C(C)(C)C)c(Cl)c1C[NH2+]C(C)C ZINC000057354254 527575004 /nfs/dbraw/zinc/57/50/04/527575004.db2.gz YNMXTIUNHDDYOF-UHFFFAOYSA-N 1 0 243.782 3.098 10 0 BGAERO Cc1cc(N)ccc1[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000057381066 132237030 /nfs/dbraw/zinc/23/70/30/132237030.db2.gz YWEYVVKEGSIKCJ-PHIMTYICSA-N 1 0 218.344 3.060 10 0 BGAERO Cc1cc(N)ccc1[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000057381067 132237041 /nfs/dbraw/zinc/23/70/41/132237041.db2.gz YWEYVVKEGSIKCJ-QWRGUYRKSA-N 1 0 218.344 3.060 10 0 BGAERO Cc1cc(N)ccc1[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000057381068 132236791 /nfs/dbraw/zinc/23/67/91/132236791.db2.gz YWEYVVKEGSIKCJ-GHMZBOCLSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)c1ccc2c(c1)C[NH2+]CC2(C)C ZINC000057491984 384950378 /nfs/dbraw/zinc/95/03/78/384950378.db2.gz JUSDECVWCCKZFX-UHFFFAOYSA-N 1 0 203.329 3.191 10 0 BGAERO C[C@@H]1C[NH2+]Cc2cc(C(C)(C)C)ccc21 ZINC000057491992 176330698 /nfs/dbraw/zinc/33/06/98/176330698.db2.gz BIEXMFOHFDJDGZ-SNVBAGLBSA-N 1 0 203.329 3.191 10 0 BGAERO C[C@H]1C[NH2+]Cc2cc(C(C)(C)C)ccc21 ZINC000057491995 188009126 /nfs/dbraw/zinc/00/91/26/188009126.db2.gz BIEXMFOHFDJDGZ-JTQLQIEISA-N 1 0 203.329 3.191 10 0 BGAERO CC(C)Cc1ccc2c(c1)C[NH2+]C[C@H]2C ZINC000057492001 188179143 /nfs/dbraw/zinc/17/91/43/188179143.db2.gz ARQJFADSBFEXRK-LLVKDONJSA-N 1 0 203.329 3.092 10 0 BGAERO CC(C)c1ccc([C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000057492081 167621028 /nfs/dbraw/zinc/62/10/28/167621028.db2.gz LNPXKFPNHMBKLY-KBPBESRZSA-N 1 0 203.329 3.405 10 0 BGAERO CCCCc1ccc(C[NH2+]C2CC2)cc1 ZINC000057492124 169020826 /nfs/dbraw/zinc/02/08/26/169020826.db2.gz HGCMRRUXOWLJTH-UHFFFAOYSA-N 1 0 203.329 3.281 10 0 BGAERO CC(C)[C@@H]1C[NH2+]Cc2cccc(Cl)c21 ZINC000057496103 187273075 /nfs/dbraw/zinc/27/30/75/187273075.db2.gz DHLVKIYNIPVMII-JTQLQIEISA-N 1 0 209.720 3.183 10 0 BGAERO CCC[C@@H]1C[NH2+]Cc2cc(Cl)ccc21 ZINC000057496108 169423864 /nfs/dbraw/zinc/42/38/64/169423864.db2.gz AZPPCGUIPUZXOO-SECBINFHSA-N 1 0 209.720 3.327 10 0 BGAERO [NH3+][C@H]1CC[C@@H](c2c(F)cccc2Cl)C1 ZINC000057497015 388361757 /nfs/dbraw/zinc/36/17/57/388361757.db2.gz BYRKRLDFMKIJAV-SFYZADRCSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@H]1CC[C@H](c2c(F)cccc2Cl)C1 ZINC000057497018 388361279 /nfs/dbraw/zinc/36/12/79/388361279.db2.gz BYRKRLDFMKIJAV-YUMQZZPRSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](c2c(F)cccc2Cl)C1 ZINC000057497021 388361652 /nfs/dbraw/zinc/36/16/52/388361652.db2.gz BYRKRLDFMKIJAV-HTQZYQBOSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CC[C@H](c2c(F)cccc2Cl)C1 ZINC000057497024 388361885 /nfs/dbraw/zinc/36/18/85/388361885.db2.gz BYRKRLDFMKIJAV-JGVFFNPUSA-N 1 0 213.683 3.074 10 0 BGAERO Cc1cccc2c1C1(CCCCC1)C[NH2+]C2 ZINC000057497501 179213156 /nfs/dbraw/zinc/21/31/56/179213156.db2.gz YOMUJUIDYXFZCH-UHFFFAOYSA-N 1 0 215.340 3.300 10 0 BGAERO C[NH2+]C(C)(C)Cc1c(F)cccc1Cl ZINC000057497568 173319957 /nfs/dbraw/zinc/31/99/57/173319957.db2.gz PQXFIKNJBGKPDL-UHFFFAOYSA-N 1 0 215.699 3.020 10 0 BGAERO CC1(c2ccc(Cl)s2)CC[NH2+]CC1 ZINC000057497583 187438053 /nfs/dbraw/zinc/43/80/53/187438053.db2.gz KFNHPATXRXZFTN-UHFFFAOYSA-N 1 0 215.749 3.043 10 0 BGAERO CC(C)(C)c1ccc2c(c1)C[NH2+]CC2(C)C ZINC000057498738 187438356 /nfs/dbraw/zinc/43/83/56/187438356.db2.gz UZAVAPKOMYGPIF-UHFFFAOYSA-N 1 0 217.356 3.365 10 0 BGAERO CC(C)Cc1ccc(C[C@H]2CCC[NH2+]2)cc1 ZINC000057498839 187272852 /nfs/dbraw/zinc/27/28/52/187272852.db2.gz MYAIZUKXVPROLH-OAHLLOKOSA-N 1 0 217.356 3.180 10 0 BGAERO CCCc1ccc(C2(C)CC[NH2+]CC2)cc1 ZINC000057498849 169570826 /nfs/dbraw/zinc/57/08/26/169570826.db2.gz VMEHVMOUXMKABW-UHFFFAOYSA-N 1 0 217.356 3.280 10 0 BGAERO CC[NH+](CC)[C@H](CC(C)=O)c1ccccc1 ZINC000057500927 169800825 /nfs/dbraw/zinc/80/08/25/169800825.db2.gz DPBBEPLMJDDNLK-CQSZACIVSA-N 1 0 219.328 3.049 10 0 BGAERO CCC[NH2+]Cc1ccc(OC)c(C(C)C)c1 ZINC000057514378 169266833 /nfs/dbraw/zinc/26/68/33/169266833.db2.gz ZZXSDBJUGQEYHJ-UHFFFAOYSA-N 1 0 221.344 3.318 10 0 BGAERO CCC[NH2+]Cc1cc(C)c(OCC)cc1C ZINC000057514410 169266019 /nfs/dbraw/zinc/26/60/19/169266019.db2.gz LXYNAPZVVBAQPV-UHFFFAOYSA-N 1 0 221.344 3.202 10 0 BGAERO Cc1ccccc1N[C@@H](C[NH3+])c1ccccc1 ZINC000057517429 179307422 /nfs/dbraw/zinc/30/74/22/179307422.db2.gz PUKOPBZIVPRCRK-HNNXBMFYSA-N 1 0 226.323 3.107 10 0 BGAERO Cc1ccccc1N[C@H](C[NH3+])c1ccccc1 ZINC000057517430 179306538 /nfs/dbraw/zinc/30/65/38/179306538.db2.gz PUKOPBZIVPRCRK-OAHLLOKOSA-N 1 0 226.323 3.107 10 0 BGAERO Cc1cccc(N[C@@H](C[NH3+])c2ccccc2)c1 ZINC000057517433 179153036 /nfs/dbraw/zinc/15/30/36/179153036.db2.gz VISBANAAGWKUAN-HNNXBMFYSA-N 1 0 226.323 3.107 10 0 BGAERO Cc1cccc(N[C@H](C[NH3+])c2ccccc2)c1 ZINC000057517436 179157973 /nfs/dbraw/zinc/15/79/73/179157973.db2.gz VISBANAAGWKUAN-OAHLLOKOSA-N 1 0 226.323 3.107 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Nc1ccccc1 ZINC000057517441 187273111 /nfs/dbraw/zinc/27/31/11/187273111.db2.gz DLNLPCOFCRTQKT-OAHLLOKOSA-N 1 0 226.323 3.107 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Nc1ccccc1 ZINC000057517443 179341520 /nfs/dbraw/zinc/34/15/20/179341520.db2.gz DLNLPCOFCRTQKT-HNNXBMFYSA-N 1 0 226.323 3.107 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Nc2ccccc2)c1 ZINC000057517444 179183985 /nfs/dbraw/zinc/18/39/85/179183985.db2.gz DRCICZAIQPHJKW-OAHLLOKOSA-N 1 0 226.323 3.107 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Nc2ccccc2)c1 ZINC000057517445 179198527 /nfs/dbraw/zinc/19/85/27/179198527.db2.gz DRCICZAIQPHJKW-HNNXBMFYSA-N 1 0 226.323 3.107 10 0 BGAERO Cc1ccc([C@H](C[NH3+])Nc2ccccc2)cc1 ZINC000057517448 178902885 /nfs/dbraw/zinc/90/28/85/178902885.db2.gz QYPFWLCBFLHGMZ-HNNXBMFYSA-N 1 0 226.323 3.107 10 0 BGAERO COc1ccc2c(c1)C1(CCCCC1)C[NH2+]C2 ZINC000057519575 175206324 /nfs/dbraw/zinc/20/63/24/175206324.db2.gz ZLOWFJHXNWPBMH-UHFFFAOYSA-N 1 0 231.339 3.000 10 0 BGAERO Cc1ccccc1N[C@@H](C[NH3+])c1cccs1 ZINC000057521124 179306509 /nfs/dbraw/zinc/30/65/09/179306509.db2.gz IAPBSGYCMUTOFS-LBPRGKRZSA-N 1 0 232.352 3.168 10 0 BGAERO Cc1ccccc1N[C@H](C[NH3+])c1cccs1 ZINC000057521126 179306849 /nfs/dbraw/zinc/30/68/49/179306849.db2.gz IAPBSGYCMUTOFS-GFCCVEGCSA-N 1 0 232.352 3.168 10 0 BGAERO Cc1cccc(N[C@@H](C[NH3+])c2cccs2)c1 ZINC000057521129 179153097 /nfs/dbraw/zinc/15/30/97/179153097.db2.gz WOXPRJBLNWKZBG-LBPRGKRZSA-N 1 0 232.352 3.168 10 0 BGAERO Cc1cccc(N[C@H](C[NH3+])c2cccs2)c1 ZINC000057521131 179157849 /nfs/dbraw/zinc/15/78/49/179157849.db2.gz WOXPRJBLNWKZBG-GFCCVEGCSA-N 1 0 232.352 3.168 10 0 BGAERO COc1ccc(CC[NH2+]C2CC2)cc1C(C)C ZINC000057522683 175091240 /nfs/dbraw/zinc/09/12/40/175091240.db2.gz ZRAMXDWNRWXSHN-UHFFFAOYSA-N 1 0 233.355 3.113 10 0 BGAERO COc1ccc(C(C)C)cc1CC[NH2+]C1CC1 ZINC000057522685 175069466 /nfs/dbraw/zinc/06/94/66/175069466.db2.gz VBGNCNSEEIOHIU-UHFFFAOYSA-N 1 0 233.355 3.113 10 0 BGAERO COc1ccc(C(C)C)cc1CC[NH2+]C(C)C ZINC000057526491 175069296 /nfs/dbraw/zinc/06/92/96/175069296.db2.gz JOMFHDUYYLJVJD-UHFFFAOYSA-N 1 0 235.371 3.359 10 0 BGAERO CCC[NH2+]Cc1ccc(OC)c(C(C)(C)C)c1 ZINC000057526508 169267112 /nfs/dbraw/zinc/26/71/12/169267112.db2.gz WQNJNTVJAFKNDU-UHFFFAOYSA-N 1 0 235.371 3.492 10 0 BGAERO CCC[NH2+]Cc1cc(C(C)(C)C)ccc1OC ZINC000057526512 169265791 /nfs/dbraw/zinc/26/57/91/169265791.db2.gz QNFWDFVELDLDPC-UHFFFAOYSA-N 1 0 235.371 3.492 10 0 BGAERO COCC[NH2+]Cc1cc(C(C)(C)C)ccc1C ZINC000057526516 174335019 /nfs/dbraw/zinc/33/50/19/174335019.db2.gz DCJFACHJZAPLFU-UHFFFAOYSA-N 1 0 235.371 3.029 10 0 BGAERO COCCC[NH2+]Cc1c(C)c(C)cc(C)c1C ZINC000057526568 174246935 /nfs/dbraw/zinc/24/69/35/174246935.db2.gz KOCNRBOKAQMVMX-UHFFFAOYSA-N 1 0 235.371 3.046 10 0 BGAERO [NH3+]C[C@H](Nc1ccccc1Cl)c1ccco1 ZINC000057528132 181449501 /nfs/dbraw/zinc/44/95/01/181449501.db2.gz ZHCJSBJEUAMLQE-NSHDSACASA-N 1 0 236.702 3.045 10 0 BGAERO [NH3+]C[C@H](Nc1ccc(Cl)cc1)c1ccco1 ZINC000057528148 181447962 /nfs/dbraw/zinc/44/79/62/181447962.db2.gz LUQQKSGELPQGDW-NSHDSACASA-N 1 0 236.702 3.045 10 0 BGAERO [NH3+][C@H]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000057533307 388363063 /nfs/dbraw/zinc/36/30/63/388363063.db2.gz RAIOWHDTOKUKAH-KOLCDFICSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@H]1CC[C@H](c2cccc(Br)c2)C1 ZINC000057533308 181653979 /nfs/dbraw/zinc/65/39/79/181653979.db2.gz RAIOWHDTOKUKAH-ONGXEEELSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](c2cccc(Br)c2)C1 ZINC000057533309 388362592 /nfs/dbraw/zinc/36/25/92/388362592.db2.gz RAIOWHDTOKUKAH-MWLCHTKSSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@@H]1CC[C@H](c2cccc(Br)c2)C1 ZINC000057533310 371859258 /nfs/dbraw/zinc/85/92/58/371859258.db2.gz RAIOWHDTOKUKAH-GXSJLCMTSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@H]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC000057533311 181653976 /nfs/dbraw/zinc/65/39/76/181653976.db2.gz RZPPTYZARIWQCK-KOLCDFICSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@H]1CC[C@H](c2ccc(Br)cc2)C1 ZINC000057533312 388363049 /nfs/dbraw/zinc/36/30/49/388363049.db2.gz RZPPTYZARIWQCK-ONGXEEELSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](c2ccc(Br)cc2)C1 ZINC000057533314 388362736 /nfs/dbraw/zinc/36/27/36/388362736.db2.gz RZPPTYZARIWQCK-MWLCHTKSSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@@H]1CC[C@H](c2ccc(Br)cc2)C1 ZINC000057533316 388362668 /nfs/dbraw/zinc/36/26/68/388362668.db2.gz RZPPTYZARIWQCK-GXSJLCMTSA-N 1 0 240.144 3.044 10 0 BGAERO Cc1ccccc1N[C@H](C[NH3+])c1ccccc1C ZINC000057533443 179307251 /nfs/dbraw/zinc/30/72/51/179307251.db2.gz AOJKVKHWKHZXPY-MRXNPFEDSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1ccccc1N[C@@H](C[NH3+])c1ccccc1C ZINC000057533444 179306795 /nfs/dbraw/zinc/30/67/95/179306795.db2.gz AOJKVKHWKHZXPY-INIZCTEOSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1cccc(N[C@@H](C[NH3+])c2ccccc2C)c1 ZINC000057533445 179152833 /nfs/dbraw/zinc/15/28/33/179152833.db2.gz MDMZNUQNHBICRY-INIZCTEOSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1cccc(N[C@H](C[NH3+])c2ccccc2C)c1 ZINC000057533446 179157550 /nfs/dbraw/zinc/15/75/50/179157550.db2.gz MDMZNUQNHBICRY-MRXNPFEDSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Nc2ccccc2C)c1 ZINC000057533450 179185338 /nfs/dbraw/zinc/18/53/38/179185338.db2.gz XBNOLEITBKZTEY-MRXNPFEDSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Nc2ccccc2C)c1 ZINC000057533451 179199384 /nfs/dbraw/zinc/19/93/84/179199384.db2.gz XBNOLEITBKZTEY-INIZCTEOSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1cccc(N[C@H](C[NH3+])c2cccc(C)c2)c1 ZINC000057533452 179157733 /nfs/dbraw/zinc/15/77/33/179157733.db2.gz LDLWYDBZOAZMEI-MRXNPFEDSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1cccc(N[C@@H](C[NH3+])c2cccc(C)c2)c1 ZINC000057533453 179153030 /nfs/dbraw/zinc/15/30/30/179153030.db2.gz LDLWYDBZOAZMEI-INIZCTEOSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1ccc(N[C@@H](C[NH3+])c2cccc(C)c2)cc1 ZINC000057533454 178770576 /nfs/dbraw/zinc/77/05/76/178770576.db2.gz XOFPUYIKIIYPMX-INIZCTEOSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1ccc(N[C@H](C[NH3+])c2ccc(C)cc2)cc1 ZINC000057533460 178776555 /nfs/dbraw/zinc/77/65/55/178776555.db2.gz MRANHAHSUJGYPO-MRXNPFEDSA-N 1 0 240.350 3.415 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Nc1ccccc1F ZINC000057534544 187273139 /nfs/dbraw/zinc/27/31/39/187273139.db2.gz IAOQRQPNSCSEMV-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Nc1ccccc1F ZINC000057534545 179341577 /nfs/dbraw/zinc/34/15/77/179341577.db2.gz IAOQRQPNSCSEMV-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Nc1ccc(F)cc1 ZINC000057534546 188127782 /nfs/dbraw/zinc/12/77/82/188127782.db2.gz AFTVKEBPZHPKMC-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Nc1ccc(F)cc1 ZINC000057534547 179341780 /nfs/dbraw/zinc/34/17/80/179341780.db2.gz AFTVKEBPZHPKMC-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Nc1cccc(F)c1 ZINC000057534548 187272937 /nfs/dbraw/zinc/27/29/37/187272937.db2.gz WOTJQHIUOWBROT-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Nc1cccc(F)c1 ZINC000057534549 179341773 /nfs/dbraw/zinc/34/17/73/179341773.db2.gz WOTJQHIUOWBROT-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Nc2ccccc2F)c1 ZINC000057534550 179185156 /nfs/dbraw/zinc/18/51/56/179185156.db2.gz VQTARXHFDWENJY-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Nc2ccccc2F)c1 ZINC000057534551 179198506 /nfs/dbraw/zinc/19/85/06/179198506.db2.gz VQTARXHFDWENJY-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Nc2ccc(F)cc2)c1 ZINC000057534552 179184178 /nfs/dbraw/zinc/18/41/78/179184178.db2.gz IVSCIPFKJZRWHT-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Nc2ccc(F)cc2)c1 ZINC000057534553 179199177 /nfs/dbraw/zinc/19/91/77/179199177.db2.gz IVSCIPFKJZRWHT-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc([C@@H](C[NH3+])Nc2cccc(F)c2)c1 ZINC000057534554 179185674 /nfs/dbraw/zinc/18/56/74/179185674.db2.gz YNHZLSOPMOLGRR-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc([C@H](C[NH3+])Nc2cccc(F)c2)c1 ZINC000057534555 179198533 /nfs/dbraw/zinc/19/85/33/179198533.db2.gz YNHZLSOPMOLGRR-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Nc2ccccc2F)cc1 ZINC000057534556 178855952 /nfs/dbraw/zinc/85/59/52/178855952.db2.gz QSJYHYMHQDKBQY-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccc([C@@H](C[NH3+])Nc2ccc(F)cc2)cc1 ZINC000057534558 178855981 /nfs/dbraw/zinc/85/59/81/178855981.db2.gz HNLBEMPFMQIATO-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1N[C@@H](C[NH3+])c1ccccc1F ZINC000057534562 179306815 /nfs/dbraw/zinc/30/68/15/179306815.db2.gz JOFTXTMWUWZHMU-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1N[C@H](C[NH3+])c1ccccc1F ZINC000057534563 179307106 /nfs/dbraw/zinc/30/71/06/179307106.db2.gz JOFTXTMWUWZHMU-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc(N[C@@H](C[NH3+])c2ccccc2F)c1 ZINC000057534564 179153043 /nfs/dbraw/zinc/15/30/43/179153043.db2.gz LDGSTFUJQFUYMT-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc(N[C@H](C[NH3+])c2ccccc2F)c1 ZINC000057534565 179157239 /nfs/dbraw/zinc/15/72/39/179157239.db2.gz LDGSTFUJQFUYMT-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1N[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000057534568 179306597 /nfs/dbraw/zinc/30/65/97/179306597.db2.gz ZKVGEWFXFCUUSK-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccccc1N[C@H](C[NH3+])c1ccc(F)cc1 ZINC000057534569 179307457 /nfs/dbraw/zinc/30/74/57/179307457.db2.gz ZKVGEWFXFCUUSK-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc(N[C@@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000057534570 179152765 /nfs/dbraw/zinc/15/27/65/179152765.db2.gz VRTLMOJGYGIHKD-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1cccc(N[C@H](C[NH3+])c2ccc(F)cc2)c1 ZINC000057534571 179157014 /nfs/dbraw/zinc/15/70/14/179157014.db2.gz VRTLMOJGYGIHKD-OAHLLOKOSA-N 1 0 244.313 3.246 10 0 BGAERO Cc1ccc(N[C@@H](C[NH3+])c2ccc(F)cc2)cc1 ZINC000057534572 178771383 /nfs/dbraw/zinc/77/13/83/178771383.db2.gz HFHHIOTZMJGTPQ-HNNXBMFYSA-N 1 0 244.313 3.246 10 0 BGAERO CCCCc1ccc(-c2ncoc2CC[NH3+])cc1 ZINC000057534741 169019346 /nfs/dbraw/zinc/01/93/46/169019346.db2.gz ANYLJWZJNVLUPR-UHFFFAOYSA-N 1 0 244.338 3.185 10 0 BGAERO [NH3+]C[C@H](Nc1ccccc1Cl)c1ccccc1 ZINC000057535976 181449172 /nfs/dbraw/zinc/44/91/72/181449172.db2.gz VYKRXSODHWWJIL-AWEZNQCLSA-N 1 0 246.741 3.452 10 0 BGAERO [NH3+]C[C@@H](Nc1cccc(Cl)c1)c1ccccc1 ZINC000057535977 181421388 /nfs/dbraw/zinc/42/13/88/181421388.db2.gz ZQAMLSBGHVMDQL-CQSZACIVSA-N 1 0 246.741 3.452 10 0 BGAERO [NH3+]C[C@@H](Nc1ccc(Cl)cc1)c1ccccc1 ZINC000057535979 181421586 /nfs/dbraw/zinc/42/15/86/181421586.db2.gz KNIKKPBAWDDKPW-CQSZACIVSA-N 1 0 246.741 3.452 10 0 BGAERO [NH3+]C[C@H](Nc1ccccc1)c1cccc(Cl)c1 ZINC000057535984 181449232 /nfs/dbraw/zinc/44/92/32/181449232.db2.gz QBWLZKVAZIIKRJ-AWEZNQCLSA-N 1 0 246.741 3.452 10 0 BGAERO [NH3+]C[C@H](Nc1ccccc1)c1ccc(Cl)cc1 ZINC000057535987 181448638 /nfs/dbraw/zinc/44/86/38/181448638.db2.gz QQNKQJHYYVCTHJ-AWEZNQCLSA-N 1 0 246.741 3.452 10 0 BGAERO COCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC000057536590 174336321 /nfs/dbraw/zinc/33/63/21/174336321.db2.gz OUCYHWMNMYIZAD-UHFFFAOYSA-N 1 0 247.382 3.470 10 0 BGAERO OCCC[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC000057536591 183058709 /nfs/dbraw/zinc/05/87/09/183058709.db2.gz UZAQJQKADGAYDF-UHFFFAOYSA-N 1 0 247.382 3.206 10 0 BGAERO [NH3+]C[C@H](Nc1ccccc1F)c1ccccc1F ZINC000057536749 181448621 /nfs/dbraw/zinc/44/86/21/181448621.db2.gz CTLLGWRNKBXMLA-AWEZNQCLSA-N 1 0 248.276 3.077 10 0 BGAERO [NH3+]C[C@@H](Nc1cccc(F)c1)c1ccccc1F ZINC000057536754 181421547 /nfs/dbraw/zinc/42/15/47/181421547.db2.gz JAWRKUAJWOPDDX-CQSZACIVSA-N 1 0 248.276 3.077 10 0 BGAERO [NH3+]C[C@H](Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000057536762 181448293 /nfs/dbraw/zinc/44/82/93/181448293.db2.gz NRDTXTUZAMGSIW-AWEZNQCLSA-N 1 0 248.276 3.077 10 0 BGAERO [NH3+]C[C@@H](Nc1cccc(F)c1)c1ccc(F)cc1 ZINC000057536764 181421907 /nfs/dbraw/zinc/42/19/07/181421907.db2.gz NRDTXTUZAMGSIW-CQSZACIVSA-N 1 0 248.276 3.077 10 0 BGAERO Cc1ccc(C[NH2+]C[C@@H](C)c2ccccc2)cn1 ZINC000057591085 178610386 /nfs/dbraw/zinc/61/03/86/178610386.db2.gz XRKROZNFCXJSEB-CYBMUJFWSA-N 1 0 240.350 3.283 10 0 BGAERO Cc1ccc(C[NH2+]C[C@H](C)c2ccccc2)cn1 ZINC000057591088 178612900 /nfs/dbraw/zinc/61/29/00/178612900.db2.gz XRKROZNFCXJSEB-ZDUSSCGKSA-N 1 0 240.350 3.283 10 0 BGAERO [NH3+]C[C@@H](CCc1ccccc1)c1ccccc1 ZINC000057698415 181417603 /nfs/dbraw/zinc/41/76/03/181417603.db2.gz RMOITFVHFQWNTE-MRXNPFEDSA-N 1 0 225.335 3.362 10 0 BGAERO Cc1cccc(OCCCC(C)(C)C[NH3+])c1 ZINC000057713835 179164591 /nfs/dbraw/zinc/16/45/91/179164591.db2.gz AAKYZKSZHDFZFR-UHFFFAOYSA-N 1 0 221.344 3.139 10 0 BGAERO Cc1ccccc1OCCCC(C)(C)C[NH3+] ZINC000057713865 179309827 /nfs/dbraw/zinc/30/98/27/179309827.db2.gz HARJBQRGEQGXDB-UHFFFAOYSA-N 1 0 221.344 3.139 10 0 BGAERO CCc1ccccc1OCCCC(C)(C)C[NH3+] ZINC000057713878 171890736 /nfs/dbraw/zinc/89/07/36/171890736.db2.gz OFKIDOXHNNWYJJ-UHFFFAOYSA-N 1 0 235.371 3.393 10 0 BGAERO Cc1cccc(C)c1OCCCC(C)(C)C[NH3+] ZINC000057713884 179046597 /nfs/dbraw/zinc/04/65/97/179046597.db2.gz VNQRRWNUFQVOHE-UHFFFAOYSA-N 1 0 235.371 3.447 10 0 BGAERO Cc1ccc(OCCCC(C)(C)C[NH3+])c(C)c1 ZINC000057713890 178811505 /nfs/dbraw/zinc/81/15/05/178811505.db2.gz FHCPILGFNNIWFK-UHFFFAOYSA-N 1 0 235.371 3.447 10 0 BGAERO Cc1cccc(OCCCC(C)(C)C[NH3+])c1C ZINC000057713893 179165219 /nfs/dbraw/zinc/16/52/19/179165219.db2.gz ODSJNSQPYGBGFQ-UHFFFAOYSA-N 1 0 235.371 3.447 10 0 BGAERO CC(C)(C[NH3+])CCCOc1ccc2c(c1)CCC2 ZINC000057713925 187273029 /nfs/dbraw/zinc/27/30/29/187273029.db2.gz DJEVDZIXQYNZBD-UHFFFAOYSA-N 1 0 247.382 3.319 10 0 BGAERO CCc1cccc(OCCC(C)(C)C[NH3+])c1 ZINC000057714033 171864642 /nfs/dbraw/zinc/86/46/42/171864642.db2.gz QXPDWNOJYSBEMT-UHFFFAOYSA-N 1 0 221.344 3.003 10 0 BGAERO Cc1cccc(C)c1OCCC(C)(C)C[NH3+] ZINC000057714038 179046273 /nfs/dbraw/zinc/04/62/73/179046273.db2.gz WTFNLRXFXOCXHF-UHFFFAOYSA-N 1 0 221.344 3.057 10 0 BGAERO Cc1cccc(OCCC(C)(C)C[NH3+])c1C ZINC000057714047 179164096 /nfs/dbraw/zinc/16/40/96/179164096.db2.gz HJNQYILGKTZMOV-UHFFFAOYSA-N 1 0 221.344 3.057 10 0 BGAERO Cc1ccc(OCCC(C)(C)C[NH3+])cc1C ZINC000057714054 178810878 /nfs/dbraw/zinc/81/08/78/178810878.db2.gz GHWRKOJLFPJVOI-UHFFFAOYSA-N 1 0 221.344 3.057 10 0 BGAERO CC(C)(C[NH3+])CCOc1ccccc1Cl ZINC000057716882 187319048 /nfs/dbraw/zinc/31/90/48/187319048.db2.gz PHMKKIOEDYKTCS-UHFFFAOYSA-N 1 0 227.735 3.094 10 0 BGAERO CC(C)(C[NH3+])CCOc1cccc(Cl)c1 ZINC000057716886 188009176 /nfs/dbraw/zinc/00/91/76/188009176.db2.gz QIWFRRNJXINDIS-UHFFFAOYSA-N 1 0 227.735 3.094 10 0 BGAERO Cc1cc(Cl)ccc1OCCC(C)(C)C[NH3+] ZINC000057716889 178069423 /nfs/dbraw/zinc/06/94/23/178069423.db2.gz ZIOXFJCRZLAYQK-UHFFFAOYSA-N 1 0 241.762 3.402 10 0 BGAERO Cc1cc(OCCC(C)(C)C[NH3+])ccc1Cl ZINC000057716896 178209736 /nfs/dbraw/zinc/20/97/36/178209736.db2.gz JAFLRVYNVJSXCQ-UHFFFAOYSA-N 1 0 241.762 3.402 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])Cc1cccc(F)c1 ZINC000057750689 179341431 /nfs/dbraw/zinc/34/14/31/179341431.db2.gz BHPIPYDPFKKMSO-AWEZNQCLSA-N 1 0 243.325 3.419 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])Cc1cccc(F)c1 ZINC000057750694 188127991 /nfs/dbraw/zinc/12/79/91/188127991.db2.gz BHPIPYDPFKKMSO-CQSZACIVSA-N 1 0 243.325 3.419 10 0 BGAERO [NH3+]C[C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000057750749 181445629 /nfs/dbraw/zinc/44/56/29/181445629.db2.gz QJWHFKNEZBBNGT-ZDUSSCGKSA-N 1 0 247.288 3.250 10 0 BGAERO [NH3+]C[C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000057750752 181418825 /nfs/dbraw/zinc/41/88/25/181418825.db2.gz QJWHFKNEZBBNGT-CYBMUJFWSA-N 1 0 247.288 3.250 10 0 BGAERO CCCCc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000057937911 169024653 /nfs/dbraw/zinc/02/46/53/169024653.db2.gz FIIBIGIWCCTNHS-CQSZACIVSA-N 1 0 203.329 3.454 10 0 BGAERO CC(C)(C)c1ccc(C[C@@H]2CC[NH2+]C2)cc1 ZINC000057939415 188301379 /nfs/dbraw/zinc/30/13/79/188301379.db2.gz IOXXZDXQUGCGSX-ZDUSSCGKSA-N 1 0 217.356 3.136 10 0 BGAERO COc1ccc(C(C)C)cc1[C@@H]1CCC[NH2+]1 ZINC000057939632 175069063 /nfs/dbraw/zinc/06/90/63/175069063.db2.gz UHNHTQXLQNKDSF-ZDUSSCGKSA-N 1 0 219.328 3.243 10 0 BGAERO COc1ccc(C(C)C)cc1[C@H]1CCC[NH2+]1 ZINC000057939633 175070091 /nfs/dbraw/zinc/07/00/91/175070091.db2.gz UHNHTQXLQNKDSF-CYBMUJFWSA-N 1 0 219.328 3.243 10 0 BGAERO Clc1ccc(C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000057953399 384973954 /nfs/dbraw/zinc/97/39/54/384973954.db2.gz IAUOYBGFQWZMFD-VIFPVBQESA-N 1 0 230.138 3.145 10 0 BGAERO Clc1ccc(C[C@H]2CC[NH2+]C2)cc1Cl ZINC000057953401 180582116 /nfs/dbraw/zinc/58/21/16/180582116.db2.gz IAUOYBGFQWZMFD-SECBINFHSA-N 1 0 230.138 3.145 10 0 BGAERO COc1ccc(CSCC[NH3+])cc1C(C)C ZINC000057955483 175114425 /nfs/dbraw/zinc/11/44/25/175114425.db2.gz SRCDSHFQTOHQEE-UHFFFAOYSA-N 1 0 239.384 3.011 10 0 BGAERO COc1ccc(C(C)C)cc1CSCC[NH3+] ZINC000057955486 175069261 /nfs/dbraw/zinc/06/92/61/175069261.db2.gz XIQNTTHTKPHPQA-UHFFFAOYSA-N 1 0 239.384 3.011 10 0 BGAERO [NH3+]CCOCCc1ccc(C2CCCCC2)cc1 ZINC000057956378 181399386 /nfs/dbraw/zinc/39/93/86/181399386.db2.gz ZAJCOMVRNAMUQN-UHFFFAOYSA-N 1 0 247.382 3.252 10 0 BGAERO Cc1ccsc1C[C@H](C[NH3+])c1ccccc1 ZINC000058002048 179551115 /nfs/dbraw/zinc/55/11/15/179551115.db2.gz YBATZTJJYFGLII-CYBMUJFWSA-N 1 0 231.364 3.342 10 0 BGAERO CC[C@@H]([NH3+])CSc1ccc(Cl)cc1 ZINC000058035745 170865679 /nfs/dbraw/zinc/86/56/79/170865679.db2.gz NVDFMUSUBQAUNV-SECBINFHSA-N 1 0 215.749 3.169 10 0 BGAERO CC(C)N(Cc1ccccc1)C[C@@H]([NH3+])C(C)(C)C ZINC000058057752 188357298 /nfs/dbraw/zinc/35/72/98/188357298.db2.gz KPOYVXFVVXIPDQ-OAHLLOKOSA-N 1 0 248.414 3.270 10 0 BGAERO C=COCCC[NH2+][C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C ZINC000058101166 188356576 /nfs/dbraw/zinc/35/65/76/188356576.db2.gz XHKUQFRSQQDDRY-GZBFAFLISA-N 1 0 237.387 3.341 10 0 BGAERO [NH3+]CCCSCc1c(F)cccc1Cl ZINC000058250268 181385066 /nfs/dbraw/zinc/38/50/66/181385066.db2.gz PGDPUAWOPVROQC-UHFFFAOYSA-N 1 0 233.739 3.061 10 0 BGAERO [NH3+]CCCCSCc1ccc(Cl)cc1 ZINC000058251192 181378732 /nfs/dbraw/zinc/37/87/32/181378732.db2.gz JLECZYBANOHEFV-UHFFFAOYSA-N 1 0 229.776 3.312 10 0 BGAERO Cc1nc([C@@H]([NH3+])c2cccc(C)c2)sc1C ZINC000058432061 179200998 /nfs/dbraw/zinc/20/09/98/179200998.db2.gz DCERPDHEXDRGBG-LBPRGKRZSA-N 1 0 232.352 3.116 10 0 BGAERO Cc1nc([C@H]([NH3+])c2cccc(C)c2)sc1C ZINC000058432066 179187307 /nfs/dbraw/zinc/18/73/07/179187307.db2.gz DCERPDHEXDRGBG-GFCCVEGCSA-N 1 0 232.352 3.116 10 0 BGAERO CC(C)c1ccc(N2CC(C)(C)[NH2+]C[C@H]2C)cc1 ZINC000058449469 132368179 /nfs/dbraw/zinc/36/81/79/132368179.db2.gz OHKIHQNYEVRTGY-CYBMUJFWSA-N 1 0 246.398 3.387 10 0 BGAERO CC(C)c1ccc(N2CC(C)(C)[NH2+]C[C@@H]2C)cc1 ZINC000058449470 132368246 /nfs/dbraw/zinc/36/82/46/132368246.db2.gz OHKIHQNYEVRTGY-ZDUSSCGKSA-N 1 0 246.398 3.387 10 0 BGAERO CC(C)(C)c1ccc(N2CC[NH2+]C(C)(C)C2)cc1 ZINC000058449472 535118007 /nfs/dbraw/zinc/11/80/07/535118007.db2.gz PZEHGATXMBRYSW-UHFFFAOYSA-N 1 0 246.398 3.172 10 0 BGAERO CCC[N@@H+]1CCC[C@@H]2c3cccc(O)c3CC[C@H]21 ZINC000058522933 169198204 /nfs/dbraw/zinc/19/82/04/169198204.db2.gz ANYSYRVXKLTFPB-UKRRQHHQSA-N 1 0 245.366 3.296 10 0 BGAERO [NH3+]Cc1cc(F)ccc1Sc1ccccc1 ZINC000058824978 385027741 /nfs/dbraw/zinc/02/77/41/385027741.db2.gz SIWMNAIOYNWBOA-UHFFFAOYSA-N 1 0 233.311 3.436 10 0 BGAERO CC(C)n1cc([C@@H](C)[NH3+])c2ccccc21 ZINC000058825276 385027277 /nfs/dbraw/zinc/02/72/77/385027277.db2.gz XKBISUDLYCVUOG-SNVBAGLBSA-N 1 0 202.301 3.242 10 0 BGAERO CC(C)n1cc([C@H](C)[NH3+])c2ccccc21 ZINC000058825280 385028215 /nfs/dbraw/zinc/02/82/15/385028215.db2.gz XKBISUDLYCVUOG-JTQLQIEISA-N 1 0 202.301 3.242 10 0 BGAERO CCC[NH+](CCC)CCC(=O)c1cccs1 ZINC000058826534 169147454 /nfs/dbraw/zinc/14/74/54/169147454.db2.gz AVMALGLFSKUABO-UHFFFAOYSA-N 1 0 239.384 3.443 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1CCC(=O)c1cccs1 ZINC000058826536 176070614 /nfs/dbraw/zinc/07/06/14/176070614.db2.gz XPHBPAOTXUGGID-LLVKDONJSA-N 1 0 237.368 3.195 10 0 BGAERO C[C@H]1CCCC[N@@H+]1CCC(=O)c1cccs1 ZINC000058826539 177074989 /nfs/dbraw/zinc/07/49/89/177074989.db2.gz XPHBPAOTXUGGID-NSHDSACASA-N 1 0 237.368 3.195 10 0 BGAERO CSCCC[NH2+]CC1CCC(C)CC1 ZINC000058872501 134788539 /nfs/dbraw/zinc/78/85/39/134788539.db2.gz SWTOIWOHPMLUSM-UHFFFAOYSA-N 1 0 215.406 3.155 10 0 BGAERO c1ccc2c(c1)C=C([NH+]1CCCCC1)CC2 ZINC000058969476 384388314 /nfs/dbraw/zinc/38/83/14/384388314.db2.gz DPWSJDWANCYKJF-UHFFFAOYSA-N 1 0 213.324 3.460 10 0 BGAERO C[NH2+]CCCc1csc2ccccc12 ZINC000059178058 173350770 /nfs/dbraw/zinc/35/07/70/173350770.db2.gz CDQIHTLLGFKDGK-UHFFFAOYSA-N 1 0 205.326 3.053 10 0 BGAERO C[NH2+]C[C@H]1C2CCC(CC2)[C@@H]1c1ccccc1 ZINC000059232038 173378228 /nfs/dbraw/zinc/37/82/28/173378228.db2.gz UJWZWFZELVZHTK-UAOKOLBASA-N 1 0 229.367 3.426 10 0 BGAERO C[NH2+]C[C@@H]1C2CCC(CC2)[C@H]1c1ccccc1 ZINC000059232040 173366992 /nfs/dbraw/zinc/36/69/92/173366992.db2.gz UJWZWFZELVZHTK-AHNOJICISA-N 1 0 229.367 3.426 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1ccccc1Br ZINC000059341735 167397013 /nfs/dbraw/zinc/39/70/13/167397013.db2.gz XEPOZRCMILUPKN-SNVBAGLBSA-N 1 0 242.160 3.147 10 0 BGAERO CN(C)C[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000059382882 343045767 /nfs/dbraw/zinc/04/57/67/343045767.db2.gz YXUBHTBLGIAIHH-HNNXBMFYSA-N 1 0 248.414 3.315 10 0 BGAERO CN(C)C[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC000059382883 343045747 /nfs/dbraw/zinc/04/57/47/343045747.db2.gz YXUBHTBLGIAIHH-OAHLLOKOSA-N 1 0 248.414 3.315 10 0 BGAERO Clc1ccc(S[C@@H]2CC[NH2+]C2)cc1Cl ZINC000059411959 180584904 /nfs/dbraw/zinc/58/49/04/180584904.db2.gz XICYHAYZDPBRIT-MRVPVSSYSA-N 1 0 248.178 3.447 10 0 BGAERO CC(C)([NH3+])Cc1ccc(F)c(C(F)(F)F)c1 ZINC000059551097 347230198 /nfs/dbraw/zinc/23/01/98/347230198.db2.gz IDLOHOZZJIQUEV-UHFFFAOYSA-N 1 0 235.224 3.124 10 0 BGAERO CC(=[NH2+])Nc1ccc(Cl)c(Cl)c1 ZINC000059628058 342816067 /nfs/dbraw/zinc/81/60/67/342816067.db2.gz IUAMALPIUAGHAG-UHFFFAOYSA-N 1 0 203.072 3.402 10 0 BGAERO [NH3+]Cc1cccc(Oc2cccc(F)c2)c1 ZINC000059679631 349227936 /nfs/dbraw/zinc/22/79/36/349227936.db2.gz HZQRKVJTELCYRU-UHFFFAOYSA-N 1 0 217.243 3.077 10 0 BGAERO [NH3+]Cc1ccc(C=C(C2CC2)C2CC2)s1 ZINC000059680338 368333248 /nfs/dbraw/zinc/33/32/48/368333248.db2.gz KZDYQNONRITMRK-UHFFFAOYSA-N 1 0 219.353 3.410 10 0 BGAERO O=C(c1ccc2ccccc2c1)C1CC[NH2+]CC1 ZINC000059712318 182667997 /nfs/dbraw/zinc/66/79/97/182667997.db2.gz CUWYCKSZGXGUJC-UHFFFAOYSA-N 1 0 239.318 3.022 10 0 BGAERO [NH3+]CCCn1ccc2c1cc(Cl)cc2Cl ZINC000059731559 342858580 /nfs/dbraw/zinc/85/85/80/342858580.db2.gz MHYLCMQOWXZXRB-UHFFFAOYSA-N 1 0 243.137 3.297 10 0 BGAERO CC(C)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000059731585 167628429 /nfs/dbraw/zinc/62/84/29/167628429.db2.gz XGVPTDNCORVOQG-UHFFFAOYSA-N 1 0 216.328 3.114 10 0 BGAERO c1ccc(N2CC[NH2+]CC2)c(C2CCCCC2)c1 ZINC000059755052 368335865 /nfs/dbraw/zinc/33/58/65/368335865.db2.gz XHBQEXHISRGXOF-UHFFFAOYSA-N 1 0 244.382 3.144 10 0 BGAERO CCC[NH2+][C@@H](C)CN(C)c1ccc(C)cc1C ZINC000059762944 169274550 /nfs/dbraw/zinc/27/45/50/169274550.db2.gz XDCMZEYNBJDCGY-AWEZNQCLSA-N 1 0 234.387 3.128 10 0 BGAERO CCC[NH2+][C@H](C)CN(C)c1ccc(C)cc1C ZINC000059762948 169286383 /nfs/dbraw/zinc/28/63/83/169286383.db2.gz XDCMZEYNBJDCGY-CQSZACIVSA-N 1 0 234.387 3.128 10 0 BGAERO c1c2ccccc2oc1C[C@@H]1CCCC[NH2+]1 ZINC000059776215 384343923 /nfs/dbraw/zinc/34/39/23/384343923.db2.gz BACKVISBRLZYOX-LBPRGKRZSA-N 1 0 215.296 3.117 10 0 BGAERO c1c2ccccc2oc1C[C@H]1CCCC[NH2+]1 ZINC000059776220 183460823 /nfs/dbraw/zinc/46/08/23/183460823.db2.gz BACKVISBRLZYOX-GFCCVEGCSA-N 1 0 215.296 3.117 10 0 BGAERO O=C(C[C@@H]1CCCC[NH2+]1)c1cc2ccccc2o1 ZINC000059776449 342862500 /nfs/dbraw/zinc/86/25/00/342862500.db2.gz VYEKSYRWRGGHDW-LBPRGKRZSA-N 1 0 243.306 3.148 10 0 BGAERO O=C(C[C@H]1CCCC[NH2+]1)c1cc2ccccc2o1 ZINC000059776451 342862371 /nfs/dbraw/zinc/86/23/71/342862371.db2.gz VYEKSYRWRGGHDW-GFCCVEGCSA-N 1 0 243.306 3.148 10 0 BGAERO CC[NH2+][C@@H]1CC2(CCCC2)Oc2ccccc21 ZINC000059785240 170150045 /nfs/dbraw/zinc/15/00/45/170150045.db2.gz GZYDLDHMWVVBDY-CYBMUJFWSA-N 1 0 231.339 3.433 10 0 BGAERO CC[NH2+][C@H]1CC2(CCCC2)Oc2ccccc21 ZINC000059785243 170166137 /nfs/dbraw/zinc/16/61/37/170166137.db2.gz GZYDLDHMWVVBDY-ZDUSSCGKSA-N 1 0 231.339 3.433 10 0 BGAERO C[C@H]([NH3+])c1ccc(COc2ccccc2)cc1 ZINC000059834929 347230325 /nfs/dbraw/zinc/23/03/25/347230325.db2.gz DBRKSCBFIVZOLT-LBPRGKRZSA-N 1 0 227.307 3.285 10 0 BGAERO C[C@@H]([NH3+])c1ccc(COc2ccccc2)cc1 ZINC000059834931 347230414 /nfs/dbraw/zinc/23/04/14/347230414.db2.gz DBRKSCBFIVZOLT-GFCCVEGCSA-N 1 0 227.307 3.285 10 0 BGAERO [NH3+][C@H](CCSc1ccccn1)c1ccccc1 ZINC000059835013 347230854 /nfs/dbraw/zinc/23/08/54/347230854.db2.gz PFTFCEHOPFJBKY-CYBMUJFWSA-N 1 0 244.363 3.264 10 0 BGAERO [NH3+][C@@H](CCSc1ccccn1)c1ccccc1 ZINC000059835017 347230672 /nfs/dbraw/zinc/23/06/72/347230672.db2.gz PFTFCEHOPFJBKY-ZDUSSCGKSA-N 1 0 244.363 3.264 10 0 BGAERO Fc1cccc(CCCC2CC[NH2+]CC2)c1 ZINC000059843450 180995351 /nfs/dbraw/zinc/99/53/51/180995351.db2.gz ZVPHXQKSGDGSLH-UHFFFAOYSA-N 1 0 221.319 3.148 10 0 BGAERO Fc1ccccc1CCCC1CC[NH2+]CC1 ZINC000059843453 181009823 /nfs/dbraw/zinc/00/98/23/181009823.db2.gz MMZACFRZHFWMLO-UHFFFAOYSA-N 1 0 221.319 3.148 10 0 BGAERO COc1cccc(CCCC2CC[NH2+]CC2)c1 ZINC000059843454 175250501 /nfs/dbraw/zinc/25/05/01/175250501.db2.gz OUQLIGFEQVXIHF-UHFFFAOYSA-N 1 0 233.355 3.018 10 0 BGAERO COc1ccccc1CCCC1CC[NH2+]CC1 ZINC000059843456 175322410 /nfs/dbraw/zinc/32/24/10/175322410.db2.gz CYGOJNSXBBGLRZ-UHFFFAOYSA-N 1 0 233.355 3.018 10 0 BGAERO CCOc1ccc(CCCC2CC[NH2+]CC2)cc1 ZINC000059843457 170542106 /nfs/dbraw/zinc/54/21/06/170542106.db2.gz ZUQXQZDWNVIRMQ-UHFFFAOYSA-N 1 0 247.382 3.408 10 0 BGAERO Fc1ccc(CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000059843467 385057127 /nfs/dbraw/zinc/05/71/27/385057127.db2.gz JHJNRKJJXPOHTO-CYBMUJFWSA-N 1 0 221.319 3.148 10 0 BGAERO Fc1ccc(CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000059843468 385057547 /nfs/dbraw/zinc/05/75/47/385057547.db2.gz JHJNRKJJXPOHTO-ZDUSSCGKSA-N 1 0 221.319 3.148 10 0 BGAERO Fc1cccc(CCC[C@@H]2CCC[NH2+]C2)c1 ZINC000059843470 385058757 /nfs/dbraw/zinc/05/87/57/385058757.db2.gz FQECVNXYDZYTDJ-CYBMUJFWSA-N 1 0 221.319 3.148 10 0 BGAERO Fc1cccc(CCC[C@H]2CCC[NH2+]C2)c1 ZINC000059843471 385057350 /nfs/dbraw/zinc/05/73/50/385057350.db2.gz FQECVNXYDZYTDJ-ZDUSSCGKSA-N 1 0 221.319 3.148 10 0 BGAERO Fc1ccccc1CCC[C@@H]1CCC[NH2+]C1 ZINC000059843473 181010715 /nfs/dbraw/zinc/01/07/15/181010715.db2.gz RMWKXYBLJQLFCR-GFCCVEGCSA-N 1 0 221.319 3.148 10 0 BGAERO Fc1ccccc1CCC[C@H]1CCC[NH2+]C1 ZINC000059843475 181010561 /nfs/dbraw/zinc/01/05/61/181010561.db2.gz RMWKXYBLJQLFCR-LBPRGKRZSA-N 1 0 221.319 3.148 10 0 BGAERO COc1ccc(CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000059843476 175089518 /nfs/dbraw/zinc/08/95/18/175089518.db2.gz HJQOBIGVNSYXJA-CQSZACIVSA-N 1 0 233.355 3.018 10 0 BGAERO COc1ccc(CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000059843478 175089800 /nfs/dbraw/zinc/08/98/00/175089800.db2.gz HJQOBIGVNSYXJA-AWEZNQCLSA-N 1 0 233.355 3.018 10 0 BGAERO COc1cccc(CCC[C@@H]2CCC[NH2+]C2)c1 ZINC000059843479 175252206 /nfs/dbraw/zinc/25/22/06/175252206.db2.gz ONFLIQGBSBNIFT-CQSZACIVSA-N 1 0 233.355 3.018 10 0 BGAERO COc1cccc(CCC[C@H]2CCC[NH2+]C2)c1 ZINC000059843481 175251923 /nfs/dbraw/zinc/25/19/23/175251923.db2.gz ONFLIQGBSBNIFT-AWEZNQCLSA-N 1 0 233.355 3.018 10 0 BGAERO COc1ccccc1CCC[C@@H]1CCC[NH2+]C1 ZINC000059843483 175322300 /nfs/dbraw/zinc/32/23/00/175322300.db2.gz PREBZMJTEKNQJC-CYBMUJFWSA-N 1 0 233.355 3.018 10 0 BGAERO COc1ccccc1CCC[C@H]1CCC[NH2+]C1 ZINC000059843484 175322070 /nfs/dbraw/zinc/32/20/70/175322070.db2.gz PREBZMJTEKNQJC-ZDUSSCGKSA-N 1 0 233.355 3.018 10 0 BGAERO CCOc1ccc(CCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000059843486 385058374 /nfs/dbraw/zinc/05/83/74/385058374.db2.gz ZFGKPWSRMLZHSX-OAHLLOKOSA-N 1 0 247.382 3.408 10 0 BGAERO CCOc1ccc(CCC[C@H]2CCC[NH2+]C2)cc1 ZINC000059843487 385057073 /nfs/dbraw/zinc/05/70/73/385057073.db2.gz ZFGKPWSRMLZHSX-HNNXBMFYSA-N 1 0 247.382 3.408 10 0 BGAERO Cc1ccccc1[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000059860484 343713358 /nfs/dbraw/zinc/71/33/58/343713358.db2.gz ARTLMKKTFSBWOH-JSGCOSHPSA-N 1 0 203.329 3.050 10 0 BGAERO [NH2+]=C(NCc1ccccc1Cl)c1ccccc1 ZINC000059925534 181198911 /nfs/dbraw/zinc/19/89/11/181198911.db2.gz QWKXZOIGVUCCOD-UHFFFAOYSA-N 1 0 244.725 3.455 10 0 BGAERO [NH3+]Cc1cccc(-c2c[nH]c(-c3ccccc3)n2)c1 ZINC000060008287 385060315 /nfs/dbraw/zinc/06/03/15/385060315.db2.gz MASMCVQYHPISIG-UHFFFAOYSA-N 1 0 249.317 3.202 10 0 BGAERO COc1cccc2c1CCC1=C2CCC[N@@H+]1C ZINC000060214547 343716949 /nfs/dbraw/zinc/71/69/49/343716949.db2.gz IWEXGPVQNIPUPH-UHFFFAOYSA-N 1 0 229.323 3.078 10 0 BGAERO COc1ccc2c(c1)CCC1=C2CCC[N@@H+]1C ZINC000060214622 349279730 /nfs/dbraw/zinc/27/97/30/349279730.db2.gz RUFQWTNWPWPDJS-UHFFFAOYSA-N 1 0 229.323 3.078 10 0 BGAERO C[N@@H+]1CCC[C@H]2CCc3ccccc3[C@@H]21 ZINC000060248247 368335888 /nfs/dbraw/zinc/33/58/88/368335888.db2.gz KFQXNYZIBDCUGC-GXTWGEPZSA-N 1 0 201.313 3.016 10 0 BGAERO C[N@@H+]1CCC[C@@H]2CCc3ccccc3[C@@H]21 ZINC000060248249 368334940 /nfs/dbraw/zinc/33/49/40/368334940.db2.gz KFQXNYZIBDCUGC-TZMCWYRMSA-N 1 0 201.313 3.016 10 0 BGAERO CC1CC[NH+](Cc2ccc3c(c2)CCC3=O)CC1 ZINC000060295844 368335971 /nfs/dbraw/zinc/33/59/71/368335971.db2.gz VNVJVHIZVPTFQO-UHFFFAOYSA-N 1 0 243.350 3.047 10 0 BGAERO C[NH+]1CCC(c2ccccc2Cl)CC1 ZINC000060313570 343478406 /nfs/dbraw/zinc/47/84/06/343478406.db2.gz PJSGHLBFZKTBRR-UHFFFAOYSA-N 1 0 209.720 3.149 10 0 BGAERO CC(C)C[C@@H](C)N(C)C(=[NH2+])Nc1ccccc1 ZINC000060393335 187956506 /nfs/dbraw/zinc/95/65/06/187956506.db2.gz VXMCEWNIBHLIRE-GFCCVEGCSA-N 1 0 233.359 3.400 10 0 BGAERO CC(C)C[C@H](C)N(C)C(=[NH2+])Nc1ccccc1 ZINC000060393336 188302231 /nfs/dbraw/zinc/30/22/31/188302231.db2.gz VXMCEWNIBHLIRE-LBPRGKRZSA-N 1 0 233.359 3.400 10 0 BGAERO CC[C@@H](C[NH2+]C1CC1)N(CC)c1ccccc1C ZINC000060403924 170827742 /nfs/dbraw/zinc/82/77/42/170827742.db2.gz PDOHABPJMKMEBB-HNNXBMFYSA-N 1 0 246.398 3.352 10 0 BGAERO CCN(c1ccccc1F)[C@H](C)C[NH2+]C(C)C ZINC000060457664 169944184 /nfs/dbraw/zinc/94/41/84/169944184.db2.gz MDUDAOZKMYIEJZ-GFCCVEGCSA-N 1 0 238.350 3.039 10 0 BGAERO [NH3+]CCCOc1ccc2oc3ccccc3c2c1 ZINC000060651424 181384996 /nfs/dbraw/zinc/38/49/96/181384996.db2.gz WNZWAMGJDFEVDD-UHFFFAOYSA-N 1 0 241.290 3.314 10 0 BGAERO CCC[NH2+][C@@H](CCCc1ccccc1)COC ZINC000060697883 169278578 /nfs/dbraw/zinc/27/85/78/169278578.db2.gz REHWWQXMNZRXMX-HNNXBMFYSA-N 1 0 235.371 3.024 10 0 BGAERO CCC[NH2+][C@H](CCCc1ccccc1)COC ZINC000060697886 169288858 /nfs/dbraw/zinc/28/88/58/169288858.db2.gz REHWWQXMNZRXMX-OAHLLOKOSA-N 1 0 235.371 3.024 10 0 BGAERO CC(C)CC[C@H]([NH3+])c1cc(F)cc(F)c1 ZINC000060698477 344182807 /nfs/dbraw/zinc/18/28/07/344182807.db2.gz WAFNYTAELJTVHZ-LBPRGKRZSA-N 1 0 213.271 3.401 10 0 BGAERO CC(C)CC[C@@H]([NH3+])c1cc(F)cc(F)c1 ZINC000060698479 350498183 /nfs/dbraw/zinc/49/81/83/350498183.db2.gz WAFNYTAELJTVHZ-GFCCVEGCSA-N 1 0 213.271 3.401 10 0 BGAERO CC[NH2+][C@@H](CCOCC)c1cc(F)cc(F)c1 ZINC000060698871 170145474 /nfs/dbraw/zinc/14/54/74/170145474.db2.gz MLASGDXTSFDUOC-ZDUSSCGKSA-N 1 0 243.297 3.042 10 0 BGAERO CC[NH2+][C@H](CCOCC)c1cc(F)cc(F)c1 ZINC000060698873 170161585 /nfs/dbraw/zinc/16/15/85/170161585.db2.gz MLASGDXTSFDUOC-CYBMUJFWSA-N 1 0 243.297 3.042 10 0 BGAERO CCCC[C@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000060699026 344182962 /nfs/dbraw/zinc/18/29/62/344182962.db2.gz BSUNNDGILBBBGH-JTQLQIEISA-N 1 0 217.234 3.294 10 0 BGAERO CCCC[C@@H]([NH3+])c1cc(F)c(F)c(F)c1 ZINC000060699028 344182952 /nfs/dbraw/zinc/18/29/52/344182952.db2.gz BSUNNDGILBBBGH-SNVBAGLBSA-N 1 0 217.234 3.294 10 0 BGAERO CCC[NH2+][C@@H](CCCOC)Cc1ccccc1C ZINC000060699838 169278598 /nfs/dbraw/zinc/27/85/98/169278598.db2.gz SOAWNPKZBIXWHS-INIZCTEOSA-N 1 0 249.398 3.332 10 0 BGAERO CCC[NH2+][C@H](CCCOC)Cc1ccccc1C ZINC000060699840 169289136 /nfs/dbraw/zinc/28/91/36/169289136.db2.gz SOAWNPKZBIXWHS-MRXNPFEDSA-N 1 0 249.398 3.332 10 0 BGAERO Cc1cccnc1[C@H]([NH3+])CCC(C)(C)C ZINC000060700710 179398248 /nfs/dbraw/zinc/39/82/48/179398248.db2.gz VQXXKJULWWPTGI-LLVKDONJSA-N 1 0 206.333 3.216 10 0 BGAERO Cc1cccnc1[C@@H]([NH3+])CCC(C)(C)C ZINC000060700712 179397715 /nfs/dbraw/zinc/39/77/15/179397715.db2.gz VQXXKJULWWPTGI-NSHDSACASA-N 1 0 206.333 3.216 10 0 BGAERO CC[NH2+][C@@H](Cc1cccs1)c1ncccc1C ZINC000060700944 170146609 /nfs/dbraw/zinc/14/66/09/170146609.db2.gz RNIZIRRMIKJJES-ZDUSSCGKSA-N 1 0 246.379 3.345 10 0 BGAERO CC[NH2+][C@H](Cc1cccs1)c1ncccc1C ZINC000060700945 170163052 /nfs/dbraw/zinc/16/30/52/170163052.db2.gz RNIZIRRMIKJJES-CYBMUJFWSA-N 1 0 246.379 3.345 10 0 BGAERO CCCCCC[C@@H](COCCC)[NH2+]CC ZINC000060702037 168676576 /nfs/dbraw/zinc/67/65/76/168676576.db2.gz DPOYNAKHHVWUAO-ZDUSSCGKSA-N 1 0 215.381 3.362 10 0 BGAERO C[NH2+][C@H](CC1CCOCC1)[C@H]1CCC[C@H](C)C1 ZINC000060702683 173451620 /nfs/dbraw/zinc/45/16/20/173451620.db2.gz BFHMIKXTAASEJC-AEGPPILISA-N 1 0 239.403 3.217 10 0 BGAERO CC[NH2+][C@H](C[C@@H]1CCCO1)[C@@H]1CCC[C@H](C)C1 ZINC000060702783 170162578 /nfs/dbraw/zinc/16/25/78/170162578.db2.gz WCSLNRQXTAIXEP-LJISPDSOSA-N 1 0 239.403 3.360 10 0 BGAERO COc1cccc(C[C@@H]([NH3+])C2CCC(C)CC2)c1 ZINC000060702953 175270887 /nfs/dbraw/zinc/27/08/87/175270887.db2.gz HYWPSEOYIGYNIY-LDZOIKDWSA-N 1 0 247.382 3.391 10 0 BGAERO COc1cccc(C[C@H]([NH3+])C2CCC(C)CC2)c1 ZINC000060702955 175271241 /nfs/dbraw/zinc/27/12/41/175271241.db2.gz HYWPSEOYIGYNIY-PXCJXSSVSA-N 1 0 247.382 3.391 10 0 BGAERO CC[NH2+][C@@H](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000060703292 170146081 /nfs/dbraw/zinc/14/60/81/170146081.db2.gz OLIICIBZCDLRHN-WUCCLRPBSA-N 1 0 239.403 3.360 10 0 BGAERO CC[NH2+][C@H](C[C@@H]1CCCO1)C1CCC(C)CC1 ZINC000060703299 170162418 /nfs/dbraw/zinc/16/24/18/170162418.db2.gz OLIICIBZCDLRHN-PFSRBDOWSA-N 1 0 239.403 3.360 10 0 BGAERO CC[NH2+][C@@H](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000060703302 170146621 /nfs/dbraw/zinc/14/66/21/170146621.db2.gz OLIICIBZCDLRHN-CVSAEHQPSA-N 1 0 239.403 3.360 10 0 BGAERO CC[NH2+][C@H](C[C@H]1CCCO1)C1CCC(C)CC1 ZINC000060703304 170162150 /nfs/dbraw/zinc/16/21/50/170162150.db2.gz OLIICIBZCDLRHN-NEXFUWMNSA-N 1 0 239.403 3.360 10 0 BGAERO CCC[NH2+][C@@H](CCOC)c1cc(F)ccc1C ZINC000060705100 169278413 /nfs/dbraw/zinc/27/84/13/169278413.db2.gz BHRCOQXPQRGHPM-AWEZNQCLSA-N 1 0 239.334 3.211 10 0 BGAERO CCC[NH2+][C@H](CCOC)c1cc(F)ccc1C ZINC000060705104 169288960 /nfs/dbraw/zinc/28/89/60/169288960.db2.gz BHRCOQXPQRGHPM-CQSZACIVSA-N 1 0 239.334 3.211 10 0 BGAERO CCC[NH2+][C@@H](Cc1cccnc1)C[C@@H](C)CC ZINC000060708532 169278850 /nfs/dbraw/zinc/27/88/50/169278850.db2.gz WDPLENYDGSLEBE-DZGCQCFKSA-N 1 0 234.387 3.429 10 0 BGAERO CCC[NH2+][C@H](Cc1cccnc1)C[C@@H](C)CC ZINC000060708536 169289726 /nfs/dbraw/zinc/28/97/26/169289726.db2.gz WDPLENYDGSLEBE-ZFWWWQNUSA-N 1 0 234.387 3.429 10 0 BGAERO CCC[NH2+][C@@H](Cc1cccnc1)C[C@H](C)CC ZINC000060708537 169279230 /nfs/dbraw/zinc/27/92/30/169279230.db2.gz WDPLENYDGSLEBE-UKRRQHHQSA-N 1 0 234.387 3.429 10 0 BGAERO CCC[NH2+][C@H](Cc1cccnc1)C[C@H](C)CC ZINC000060708540 169289755 /nfs/dbraw/zinc/28/97/55/169289755.db2.gz WDPLENYDGSLEBE-HIFRSBDPSA-N 1 0 234.387 3.429 10 0 BGAERO CC[NH2+][C@@H](Cc1ccncc1)CC1CCCC1 ZINC000060709550 170146832 /nfs/dbraw/zinc/14/68/32/170146832.db2.gz HJNKYVICCSBDKK-OAHLLOKOSA-N 1 0 232.371 3.183 10 0 BGAERO CC[NH2+][C@H](Cc1ccncc1)CC1CCCC1 ZINC000060709555 170163348 /nfs/dbraw/zinc/16/33/48/170163348.db2.gz HJNKYVICCSBDKK-HNNXBMFYSA-N 1 0 232.371 3.183 10 0 BGAERO Cc1cc(C)cc([C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000060713526 188360042 /nfs/dbraw/zinc/36/00/42/188360042.db2.gz JVRYCTCLXHVEBK-UONOGXRCSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1ccc(C)c([C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000060713779 178498147 /nfs/dbraw/zinc/49/81/47/178498147.db2.gz GCEYQNJFJARNKP-JSGCOSHPSA-N 1 0 203.329 3.288 10 0 BGAERO CCc1ccc([C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000060713803 171844610 /nfs/dbraw/zinc/84/46/10/171844610.db2.gz ADKYRZXONWNJEX-ZIAGYGMSSA-N 1 0 203.329 3.234 10 0 BGAERO Cc1ccc([C@@H]2CCCC[C@H]2[NH3+])cc1C ZINC000060713813 178871908 /nfs/dbraw/zinc/87/19/08/178871908.db2.gz JGNAYLYUWKDGFL-UONOGXRCSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1cccc([C@@H]2CCCC[C@@H]2[NH3+])c1C ZINC000060713832 179189678 /nfs/dbraw/zinc/18/96/78/179189678.db2.gz PWGMDROMVGGQMS-KBPBESRZSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1cccc([C@H]2CCCC[C@@H]2[NH3+])c1C ZINC000060713837 179203664 /nfs/dbraw/zinc/20/36/64/179203664.db2.gz PWGMDROMVGGQMS-KGLIPLIRSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1cccc([C@@H]2CCCC[C@H]2[NH3+])c1C ZINC000060713839 179190028 /nfs/dbraw/zinc/19/00/28/179190028.db2.gz PWGMDROMVGGQMS-UONOGXRCSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1cccc([C@H]2CCCC[C@H]2[NH3+])c1C ZINC000060713840 179203616 /nfs/dbraw/zinc/20/36/16/179203616.db2.gz PWGMDROMVGGQMS-ZIAGYGMSSA-N 1 0 203.329 3.288 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000060713846 181641719 /nfs/dbraw/zinc/64/17/19/181641719.db2.gz FDMYRCFQJFNUSQ-PWSUYJOCSA-N 1 0 209.720 3.325 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000060713851 181574496 /nfs/dbraw/zinc/57/44/96/181574496.db2.gz FDMYRCFQJFNUSQ-ZYHUDNBSSA-N 1 0 209.720 3.325 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000060713906 181576210 /nfs/dbraw/zinc/57/62/10/181576210.db2.gz OJKRKVFERUHTQM-NWDGAFQWSA-N 1 0 209.720 3.325 10 0 BGAERO CC[NH2+][C@@H]1CCCC[C@@H]1c1cccc(OC)c1 ZINC000060715416 170150859 /nfs/dbraw/zinc/15/08/59/170150859.db2.gz APRRGYBGAASBIE-HUUCEWRRSA-N 1 0 233.355 3.331 10 0 BGAERO CC[NH2+][C@H]1CCCC[C@@H]1c1cccc(OC)c1 ZINC000060715420 170166304 /nfs/dbraw/zinc/16/63/04/170166304.db2.gz APRRGYBGAASBIE-CABCVRRESA-N 1 0 233.355 3.331 10 0 BGAERO CC[NH2+][C@H]1CCCC[C@H]1c1cccc(OC)c1 ZINC000060715424 170166849 /nfs/dbraw/zinc/16/68/49/170166849.db2.gz APRRGYBGAASBIE-GJZGRUSLSA-N 1 0 233.355 3.331 10 0 BGAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1cccnc1 ZINC000060715640 169281670 /nfs/dbraw/zinc/28/16/70/169281670.db2.gz JVYIXGGMLXHHAM-ZIAGYGMSSA-N 1 0 218.344 3.107 10 0 BGAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1cccnc1 ZINC000060715642 169290886 /nfs/dbraw/zinc/29/08/86/169290886.db2.gz JVYIXGGMLXHHAM-KGLIPLIRSA-N 1 0 218.344 3.107 10 0 BGAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1cccnc1 ZINC000060715644 169282291 /nfs/dbraw/zinc/28/22/91/169282291.db2.gz JVYIXGGMLXHHAM-UONOGXRCSA-N 1 0 218.344 3.107 10 0 BGAERO CCC[NH2+][C@H]1CCCC[C@H]1c1cccnc1 ZINC000060715647 169290483 /nfs/dbraw/zinc/29/04/83/169290483.db2.gz JVYIXGGMLXHHAM-KBPBESRZSA-N 1 0 218.344 3.107 10 0 BGAERO CCC[NH2+][C@@H]1CCCC[C@@H]1c1cncc(F)c1 ZINC000060715789 169282324 /nfs/dbraw/zinc/28/23/24/169282324.db2.gz HUNNKIFLMAMWAW-ZIAGYGMSSA-N 1 0 236.334 3.247 10 0 BGAERO CCC[NH2+][C@H]1CCCC[C@@H]1c1cncc(F)c1 ZINC000060715791 169291187 /nfs/dbraw/zinc/29/11/87/169291187.db2.gz HUNNKIFLMAMWAW-KGLIPLIRSA-N 1 0 236.334 3.247 10 0 BGAERO CCC[NH2+][C@@H]1CCCC[C@H]1c1cncc(F)c1 ZINC000060715793 169282282 /nfs/dbraw/zinc/28/22/82/169282282.db2.gz HUNNKIFLMAMWAW-UONOGXRCSA-N 1 0 236.334 3.247 10 0 BGAERO CCC[NH2+][C@H]1CCCC[C@H]1c1cncc(F)c1 ZINC000060715796 169291030 /nfs/dbraw/zinc/29/10/30/169291030.db2.gz HUNNKIFLMAMWAW-KBPBESRZSA-N 1 0 236.334 3.247 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H]1c1cnc2ccccc2c1 ZINC000060715844 173433941 /nfs/dbraw/zinc/43/39/41/173433941.db2.gz NNACDVYBGPGOCR-UKRRQHHQSA-N 1 0 226.323 3.090 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H]1c1cnc2ccccc2c1 ZINC000060715847 173434508 /nfs/dbraw/zinc/43/45/08/173434508.db2.gz NNACDVYBGPGOCR-DZGCQCFKSA-N 1 0 226.323 3.090 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000060715863 344198635 /nfs/dbraw/zinc/19/86/35/344198635.db2.gz LGAKFUNUGQGFHW-VXGBXAGGSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CCC[C@@H]1c1ccc(Cl)cc1 ZINC000060715866 344198482 /nfs/dbraw/zinc/19/84/82/344198482.db2.gz LGAKFUNUGQGFHW-NEPJUHHUSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000060715869 344198923 /nfs/dbraw/zinc/19/89/23/344198923.db2.gz LGAKFUNUGQGFHW-NWDGAFQWSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CCC[C@H]1c1ccc(Cl)cc1 ZINC000060715871 344198432 /nfs/dbraw/zinc/19/84/32/344198432.db2.gz LGAKFUNUGQGFHW-RYUDHWBXSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H]1c1ccccc1Cl ZINC000060716056 344198469 /nfs/dbraw/zinc/19/84/69/344198469.db2.gz HLDPWEUQAIEXSE-ZYHUDNBSSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CCC[C@@H]1c1ccccc1Cl ZINC000060716059 344198648 /nfs/dbraw/zinc/19/86/48/344198648.db2.gz HLDPWEUQAIEXSE-PWSUYJOCSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H]1c1ccccc1Cl ZINC000060716060 344198769 /nfs/dbraw/zinc/19/87/69/344198769.db2.gz HLDPWEUQAIEXSE-CMPLNLGQSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CCC[C@H]1c1ccccc1Cl ZINC000060716061 344198387 /nfs/dbraw/zinc/19/83/87/344198387.db2.gz HLDPWEUQAIEXSE-JQWIXIFHSA-N 1 0 209.720 3.196 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@@H]1c1ccccc1OC ZINC000060716476 169282189 /nfs/dbraw/zinc/28/21/89/169282189.db2.gz YUXRBZUOQVZRBS-TZMCWYRMSA-N 1 0 233.355 3.331 10 0 BGAERO CCC[NH2+][C@H]1CCC[C@@H]1c1ccccc1OC ZINC000060716478 169291812 /nfs/dbraw/zinc/29/18/12/169291812.db2.gz YUXRBZUOQVZRBS-OCCSQVGLSA-N 1 0 233.355 3.331 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@H]1c1ccccc1OC ZINC000060716480 169282009 /nfs/dbraw/zinc/28/20/09/169282009.db2.gz YUXRBZUOQVZRBS-GXTWGEPZSA-N 1 0 233.355 3.331 10 0 BGAERO CCC[NH2+][C@H]1CCC[C@H]1c1ccccc1OC ZINC000060716481 169292000 /nfs/dbraw/zinc/29/20/00/169292000.db2.gz YUXRBZUOQVZRBS-JSGCOSHPSA-N 1 0 233.355 3.331 10 0 BGAERO C[NH2+][C@@H]1CCCCC[C@H]1c1ccccc1OC ZINC000060716805 173431495 /nfs/dbraw/zinc/43/14/95/173431495.db2.gz LXBLNXJCCLWMJZ-GXTWGEPZSA-N 1 0 233.355 3.331 10 0 BGAERO C[NH2+][C@@H]1CCCCC[C@@H]1c1cccs1 ZINC000060716910 344199502 /nfs/dbraw/zinc/19/95/02/344199502.db2.gz FDUMJRGAAOAXDB-WDEREUQCSA-N 1 0 209.358 3.384 10 0 BGAERO C[NH2+][C@H]1CCCCC[C@@H]1c1cccs1 ZINC000060716911 344199261 /nfs/dbraw/zinc/19/92/61/344199261.db2.gz FDUMJRGAAOAXDB-QWRGUYRKSA-N 1 0 209.358 3.384 10 0 BGAERO C[NH2+][C@@H]1CCCCC[C@H]1c1cccs1 ZINC000060716912 344199133 /nfs/dbraw/zinc/19/91/33/344199133.db2.gz FDUMJRGAAOAXDB-GHMZBOCLSA-N 1 0 209.358 3.384 10 0 BGAERO C[NH2+][C@H]1CCCCC[C@H]1c1cccs1 ZINC000060716913 344199439 /nfs/dbraw/zinc/19/94/39/344199439.db2.gz FDUMJRGAAOAXDB-MNOVXSKESA-N 1 0 209.358 3.384 10 0 BGAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1cccnc1 ZINC000060716979 170151074 /nfs/dbraw/zinc/15/10/74/170151074.db2.gz FFDDKJQRIQVRRJ-ZIAGYGMSSA-N 1 0 218.344 3.107 10 0 BGAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1cccnc1 ZINC000060716981 170166289 /nfs/dbraw/zinc/16/62/89/170166289.db2.gz FFDDKJQRIQVRRJ-KGLIPLIRSA-N 1 0 218.344 3.107 10 0 BGAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1cccnc1 ZINC000060716982 170151113 /nfs/dbraw/zinc/15/11/13/170151113.db2.gz FFDDKJQRIQVRRJ-UONOGXRCSA-N 1 0 218.344 3.107 10 0 BGAERO CC[NH2+][C@H]1CCCCC[C@H]1c1cccnc1 ZINC000060716986 170166035 /nfs/dbraw/zinc/16/60/35/170166035.db2.gz FFDDKJQRIQVRRJ-KBPBESRZSA-N 1 0 218.344 3.107 10 0 BGAERO CCCn1cc([C@H]2CCCCC[C@@H]2[NH2+]CC)cn1 ZINC000060717140 169620552 /nfs/dbraw/zinc/62/05/52/169620552.db2.gz ROKOELGFTWEZRV-CABCVRRESA-N 1 0 249.402 3.319 10 0 BGAERO CCCn1cc([C@H]2CCCCC[C@H]2[NH2+]CC)cn1 ZINC000060717144 169620328 /nfs/dbraw/zinc/62/03/28/169620328.db2.gz ROKOELGFTWEZRV-HUUCEWRRSA-N 1 0 249.402 3.319 10 0 BGAERO CCCC1CC[NH+](C[C@H]2CCCCC2=O)CC1 ZINC000060720252 168607592 /nfs/dbraw/zinc/60/75/92/168607592.db2.gz BKGGMUWUNNXNOQ-CQSZACIVSA-N 1 0 237.387 3.258 10 0 BGAERO C[N@H+](CC1CCCCC1)C[C@H]1CCCCC1=O ZINC000060720471 172660206 /nfs/dbraw/zinc/66/02/06/172660206.db2.gz GYAMHAOWIYRTJL-CQSZACIVSA-N 1 0 237.387 3.258 10 0 BGAERO Cc1cccc(C[N@H+](C)C[C@@H]2CCCCC2=O)c1 ZINC000060720504 179066340 /nfs/dbraw/zinc/06/63/40/179066340.db2.gz ZJPXQZFGHIAGOY-HNNXBMFYSA-N 1 0 245.366 3.186 10 0 BGAERO Cc1cccc(C[N@H+](C)C[C@H]2CCCCC2=O)c1 ZINC000060720505 179066645 /nfs/dbraw/zinc/06/66/45/179066645.db2.gz ZJPXQZFGHIAGOY-OAHLLOKOSA-N 1 0 245.366 3.186 10 0 BGAERO CCN(C[C@H]1CCCC[C@@H]1[NH3+])c1ccccc1C ZINC000060743478 517650772 /nfs/dbraw/zinc/65/07/72/517650772.db2.gz JPBXPBKJLBMXTD-CABCVRRESA-N 1 0 246.398 3.339 10 0 BGAERO C[NH2+]Cc1ccc(-c2cc(F)c(F)cc2F)o1 ZINC000061094761 173387894 /nfs/dbraw/zinc/38/78/94/173387894.db2.gz PBCSGTLNOXYYCA-UHFFFAOYSA-N 1 0 241.212 3.083 10 0 BGAERO Cc1cc(N2Cc3ccccc3C2=[NH2+])ccc1F ZINC000061118738 178122467 /nfs/dbraw/zinc/12/24/67/178122467.db2.gz GZLFASSSNVAVRI-UHFFFAOYSA-N 1 0 240.281 3.480 10 0 BGAERO Cc1cc(-n2ccc3c2CCC[C@H]3[NH3+])ccc1F ZINC000061122413 177696951 /nfs/dbraw/zinc/69/69/51/177696951.db2.gz LFMXDZXVNKKYMN-CQSZACIVSA-N 1 0 244.313 3.261 10 0 BGAERO CC(C)[C@](C)([NH3+])c1cccc2cnccc21 ZINC000061123522 167525020 /nfs/dbraw/zinc/52/50/20/167525020.db2.gz LHNHCMJOJMBVDR-AWEZNQCLSA-N 1 0 214.312 3.065 10 0 BGAERO CC[C@@]([NH3+])(c1cccc2cnccc21)C(C)C ZINC000061123538 171193720 /nfs/dbraw/zinc/19/37/20/171193720.db2.gz KTECJZBRSXWDCM-HNNXBMFYSA-N 1 0 228.339 3.455 10 0 BGAERO CC[C@]([NH3+])(c1cccc2cnccc21)C(C)C ZINC000061123539 171709800 /nfs/dbraw/zinc/70/98/00/171709800.db2.gz KTECJZBRSXWDCM-OAHLLOKOSA-N 1 0 228.339 3.455 10 0 BGAERO CCC[C@@H]([NH3+])c1cccc2cnccc21 ZINC000061124026 169393423 /nfs/dbraw/zinc/39/34/23/169393423.db2.gz RRVFHJUUVMDPJL-CYBMUJFWSA-N 1 0 200.285 3.035 10 0 BGAERO C[NH2+][C@H](c1cccc2cnccc21)C(C)C ZINC000061124171 173457921 /nfs/dbraw/zinc/45/79/21/173457921.db2.gz DLTDQLABZMNPFY-AWEZNQCLSA-N 1 0 214.312 3.151 10 0 BGAERO CC[NH2+][C@@H](CC)c1cccc2cnccc21 ZINC000061124199 170144038 /nfs/dbraw/zinc/14/40/38/170144038.db2.gz JLEZKRGHZAXCOT-AWEZNQCLSA-N 1 0 214.312 3.295 10 0 BGAERO CC[NH2+][C@H](CC)c1cccc2cnccc21 ZINC000061124200 170161361 /nfs/dbraw/zinc/16/13/61/170161361.db2.gz JLEZKRGHZAXCOT-CQSZACIVSA-N 1 0 214.312 3.295 10 0 BGAERO CCC[NH2+][C@@H](C)c1cccc2cnccc21 ZINC000061124206 169276554 /nfs/dbraw/zinc/27/65/54/169276554.db2.gz WLUGHXYFXRXJNC-NSHDSACASA-N 1 0 214.312 3.295 10 0 BGAERO CCC[NH2+][C@H](C)c1cccc2cnccc21 ZINC000061124207 169286987 /nfs/dbraw/zinc/28/69/87/169286987.db2.gz WLUGHXYFXRXJNC-LLVKDONJSA-N 1 0 214.312 3.295 10 0 BGAERO CCC[C@@H]([NH2+]C)c1cccc2cnccc21 ZINC000061124221 169399923 /nfs/dbraw/zinc/39/99/23/169399923.db2.gz KQNIVZRRSIGNGL-CQSZACIVSA-N 1 0 214.312 3.295 10 0 BGAERO C[NH2+][C@@H](c1ccco1)c1cccc2cnccc21 ZINC000061124541 173429626 /nfs/dbraw/zinc/42/96/26/173429626.db2.gz MPVMIRASDLNFGN-OAHLLOKOSA-N 1 0 238.290 3.137 10 0 BGAERO CC[NH2+]C(C)(C)c1nc2cc(Cl)ccc2[nH]1 ZINC000061149768 170107152 /nfs/dbraw/zinc/10/71/52/170107152.db2.gz QUMVYJJYGCFFND-UHFFFAOYSA-N 1 0 237.734 3.061 10 0 BGAERO CC[NH2+]C(C)(C)c1nc2ccccc2n1C(C)C ZINC000061149780 170107815 /nfs/dbraw/zinc/10/78/15/170107815.db2.gz BVWGWNAZVLFWMS-UHFFFAOYSA-N 1 0 245.370 3.462 10 0 BGAERO CC[NH2+]C(C)(C)c1nc2ccccc2n1C1CC1 ZINC000061149784 170107297 /nfs/dbraw/zinc/10/72/97/170107297.db2.gz DJDSJVJCXDGBGG-UHFFFAOYSA-N 1 0 243.354 3.216 10 0 BGAERO CC[NH2+]C(C)(C)c1nc2cc(C)ccc2n1CC ZINC000061149794 170107891 /nfs/dbraw/zinc/10/78/91/170107891.db2.gz LKEXWLPTBZGEBV-UHFFFAOYSA-N 1 0 245.370 3.209 10 0 BGAERO CC[NH2+]C(C)(C)c1nc2c(cccc2F)n1CC ZINC000061149840 170107651 /nfs/dbraw/zinc/10/76/51/170107651.db2.gz WKWWROWWRACOFB-UHFFFAOYSA-N 1 0 249.333 3.040 10 0 BGAERO CC[NH2+]C(C)(C)c1nc2c(cccc2Cl)[nH]1 ZINC000061149850 170107147 /nfs/dbraw/zinc/10/71/47/170107147.db2.gz YGNPWJTVEZBDOQ-UHFFFAOYSA-N 1 0 237.734 3.061 10 0 BGAERO CC[NH2+][C@@H](C)Cc1nc2cc(Cl)ccc2o1 ZINC000061213182 170140469 /nfs/dbraw/zinc/14/04/69/170140469.db2.gz ANSZMBNYMGQYMR-QMMMGPOBSA-N 1 0 238.718 3.022 10 0 BGAERO CC[NH2+][C@H](C)Cc1nc2cc(Cl)ccc2o1 ZINC000061213183 170158261 /nfs/dbraw/zinc/15/82/61/170158261.db2.gz ANSZMBNYMGQYMR-MRVPVSSYSA-N 1 0 238.718 3.022 10 0 BGAERO CC[NH2+]C[C@@H](C)c1nc2ccccc2n1C1CC1 ZINC000061219117 170118869 /nfs/dbraw/zinc/11/88/69/170118869.db2.gz YAKSZERTROHPCS-LLVKDONJSA-N 1 0 243.354 3.084 10 0 BGAERO CC[NH2+]C[C@H](C)c1nc2ccccc2n1C1CC1 ZINC000061219118 170121792 /nfs/dbraw/zinc/12/17/92/170121792.db2.gz YAKSZERTROHPCS-NSHDSACASA-N 1 0 243.354 3.084 10 0 BGAERO CC[NH2+]C[C@@H](C)c1nc2ccccc2s1 ZINC000061219617 170118856 /nfs/dbraw/zinc/11/88/56/170118856.db2.gz ILICEBCUAVUIEY-SECBINFHSA-N 1 0 220.341 3.009 10 0 BGAERO CC[NH2+]C[C@H](C)c1nc2ccccc2s1 ZINC000061219619 170122066 /nfs/dbraw/zinc/12/20/66/170122066.db2.gz ILICEBCUAVUIEY-VIFPVBQESA-N 1 0 220.341 3.009 10 0 BGAERO CC[NH2+]C[C@@H](C)c1nc2cc(Cl)ccc2o1 ZINC000061220995 170119220 /nfs/dbraw/zinc/11/92/20/170119220.db2.gz GLDQYRPTKVQDBE-MRVPVSSYSA-N 1 0 238.718 3.194 10 0 BGAERO CC[NH2+]C[C@H](C)c1nc2cc(Cl)ccc2o1 ZINC000061220997 170121561 /nfs/dbraw/zinc/12/15/61/170121561.db2.gz GLDQYRPTKVQDBE-QMMMGPOBSA-N 1 0 238.718 3.194 10 0 BGAERO CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000061269352 170138675 /nfs/dbraw/zinc/13/86/75/170138675.db2.gz FJCIJEHBJKWDKT-LBPRGKRZSA-N 1 0 248.370 3.137 10 0 BGAERO CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(C)C)c1 ZINC000061269353 170156754 /nfs/dbraw/zinc/15/67/54/170156754.db2.gz FJCIJEHBJKWDKT-GFCCVEGCSA-N 1 0 248.370 3.137 10 0 BGAERO CC[NH2+]C(C)(C)C(=O)Nc1ccc(C(C)C)cc1 ZINC000061287128 170107941 /nfs/dbraw/zinc/10/79/41/170107941.db2.gz FGPJVCMKCPPGMP-UHFFFAOYSA-N 1 0 248.370 3.137 10 0 BGAERO CC[NH2+]C(C)(C)CN(CC)c1ccc(C)cc1 ZINC000061299935 170107576 /nfs/dbraw/zinc/10/75/76/170107576.db2.gz NXCDYHSXIAWALH-UHFFFAOYSA-N 1 0 234.387 3.209 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+]Cc1cnc(C)cn1 ZINC000061319959 171296697 /nfs/dbraw/zinc/29/66/97/171296697.db2.gz WPRKAURREAZOIR-WCQYABFASA-N 1 0 235.375 3.089 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+]Cc1cnc(C)cn1 ZINC000061319961 171299552 /nfs/dbraw/zinc/29/95/52/171299552.db2.gz WPRKAURREAZOIR-AAEUAGOBSA-N 1 0 235.375 3.089 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000061329413 385113648 /nfs/dbraw/zinc/11/36/48/385113648.db2.gz IKCWNDNFPDTPLH-IEBDPFPHSA-N 1 0 207.342 3.124 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2sccc21 ZINC000061329419 385112461 /nfs/dbraw/zinc/11/24/61/385112461.db2.gz IKCWNDNFPDTPLH-FBIMIBRVSA-N 1 0 207.342 3.124 10 0 BGAERO C[C@@H](c1ccsc1)N1CCCCC1=[NH2+] ZINC000061364056 344922776 /nfs/dbraw/zinc/92/27/76/344922776.db2.gz MSNBXQKIOILYES-VIFPVBQESA-N 1 0 208.330 3.272 10 0 BGAERO C[C@H](c1ccsc1)N1CCCCC1=[NH2+] ZINC000061364058 344922625 /nfs/dbraw/zinc/92/26/25/344922625.db2.gz MSNBXQKIOILYES-SECBINFHSA-N 1 0 208.330 3.272 10 0 BGAERO CCn1cc[nH+]c1N[C@@H](C)c1ccsc1 ZINC000061364411 172228010 /nfs/dbraw/zinc/22/80/10/172228010.db2.gz YNUJZASFFXXOID-VIFPVBQESA-N 1 0 221.329 3.138 10 0 BGAERO CCn1cc[nH+]c1N[C@H](C)c1ccsc1 ZINC000061364412 172227744 /nfs/dbraw/zinc/22/77/44/172227744.db2.gz YNUJZASFFXXOID-SECBINFHSA-N 1 0 221.329 3.138 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@H+](C)CC1CCC1 ZINC000061453682 176014936 /nfs/dbraw/zinc/01/49/36/176014936.db2.gz FZUNQZKZMHFYFG-NSHDSACASA-N 1 0 218.344 3.062 10 0 BGAERO C[C@H](c1ccc(N)cc1)[N@H+](C)CC1CCC1 ZINC000061453684 177034204 /nfs/dbraw/zinc/03/42/04/177034204.db2.gz FZUNQZKZMHFYFG-LLVKDONJSA-N 1 0 218.344 3.062 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@H+](C)CC1CCC1 ZINC000061453691 176018049 /nfs/dbraw/zinc/01/80/49/176018049.db2.gz DIYZFGBPHVSPQL-NSHDSACASA-N 1 0 218.344 3.062 10 0 BGAERO C[C@H](c1cccc(N)c1)[N@H+](C)CC1CCC1 ZINC000061453692 177036546 /nfs/dbraw/zinc/03/65/46/177036546.db2.gz DIYZFGBPHVSPQL-LLVKDONJSA-N 1 0 218.344 3.062 10 0 BGAERO Cc1cccc([C@@H](CN)[N@H+](C)CC2CCC2)c1C ZINC000061455169 179185553 /nfs/dbraw/zinc/18/55/53/179185553.db2.gz FFJRUZFSNDNHFJ-MRXNPFEDSA-N 1 0 246.398 3.035 10 0 BGAERO Cc1cccc([C@H](CN)[N@H+](C)CC2CCC2)c1C ZINC000061455172 179199110 /nfs/dbraw/zinc/19/91/10/179199110.db2.gz FFJRUZFSNDNHFJ-INIZCTEOSA-N 1 0 246.398 3.035 10 0 BGAERO CCC[NH2+][C@@H]1CCCC[C@@H]1N(C)CC1CCC1 ZINC000061457485 169282165 /nfs/dbraw/zinc/28/21/65/169282165.db2.gz XDNNQIVWUCKUPX-CABCVRRESA-N 1 0 238.419 3.029 10 0 BGAERO CCC[NH2+][C@H]1CCCC[C@@H]1N(C)CC1CCC1 ZINC000061457487 169290896 /nfs/dbraw/zinc/29/08/96/169290896.db2.gz XDNNQIVWUCKUPX-GJZGRUSLSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[NH2+][C@@H]1CCCC[C@H]1N(C)CC1CCC1 ZINC000061457490 169282305 /nfs/dbraw/zinc/28/23/05/169282305.db2.gz XDNNQIVWUCKUPX-HUUCEWRRSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[NH2+][C@H]1CCCC[C@H]1N(C)CC1CCC1 ZINC000061457492 169290954 /nfs/dbraw/zinc/29/09/54/169290954.db2.gz XDNNQIVWUCKUPX-LSDHHAIUSA-N 1 0 238.419 3.029 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)CC1CCC1 ZINC000061480763 170128728 /nfs/dbraw/zinc/12/87/28/170128728.db2.gz WVSDFMAOIGQHBA-UHFFFAOYSA-N 1 0 232.371 3.032 10 0 BGAERO Cc1cccc(NCC[N@@H+](C)CC2CCC2)c1 ZINC000061486513 179145089 /nfs/dbraw/zinc/14/50/89/179145089.db2.gz NVGPJXNKVGBGMH-UHFFFAOYSA-N 1 0 232.371 3.139 10 0 BGAERO CCCC[C@H](CC)c1nnc([C@@H](CC)[NH2+]C)o1 ZINC000061511799 169000580 /nfs/dbraw/zinc/00/05/80/169000580.db2.gz OGZVJPQTKIHHEL-WDEREUQCSA-N 1 0 239.363 3.424 10 0 BGAERO CCCC[C@H](CC)c1nnc([C@H](CC)[NH2+]C)o1 ZINC000061511803 169001330 /nfs/dbraw/zinc/00/13/30/169001330.db2.gz OGZVJPQTKIHHEL-QWRGUYRKSA-N 1 0 239.363 3.424 10 0 BGAERO CC[NH2+][C@@H](CC)c1nnc(-c2ccc(C)cc2)o1 ZINC000061512952 170143812 /nfs/dbraw/zinc/14/38/12/170143812.db2.gz PLOTURYUKWQGKL-LBPRGKRZSA-N 1 0 245.326 3.106 10 0 BGAERO CC[NH2+][C@H](CC)c1nnc(-c2ccc(C)cc2)o1 ZINC000061512956 170161452 /nfs/dbraw/zinc/16/14/52/170161452.db2.gz PLOTURYUKWQGKL-GFCCVEGCSA-N 1 0 245.326 3.106 10 0 BGAERO CCCC[C@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061560429 169009082 /nfs/dbraw/zinc/00/90/82/169009082.db2.gz IWGGFODUJAVXJG-NSHDSACASA-N 1 0 241.306 3.033 10 0 BGAERO CCCC[C@@H]([NH3+])c1cc(OC)c(OC)cc1F ZINC000061560431 344965562 /nfs/dbraw/zinc/96/55/62/344965562.db2.gz IWGGFODUJAVXJG-LLVKDONJSA-N 1 0 241.306 3.033 10 0 BGAERO C[C@@H]1[C@@H](C)CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000061571403 177137102 /nfs/dbraw/zinc/13/71/02/177137102.db2.gz AQYAOALCSPRSOS-LOWDOPEQSA-N 1 0 227.417 3.296 10 0 BGAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCSC2)[C@@H]1C ZINC000061571405 176124130 /nfs/dbraw/zinc/12/41/30/176124130.db2.gz AQYAOALCSPRSOS-FDYHWXHSSA-N 1 0 227.417 3.296 10 0 BGAERO C[C@H]1[C@H]([NH2+][C@@H]2CCCSC2)CCC[C@@H]1C ZINC000061571407 385122261 /nfs/dbraw/zinc/12/22/61/385122261.db2.gz AQYAOALCSPRSOS-UMSGYPCISA-N 1 0 227.417 3.296 10 0 BGAERO [NH3+][C@H](Cc1ccsc1)C1(c2ccccc2)CC1 ZINC000061618149 181627627 /nfs/dbraw/zinc/62/76/27/181627627.db2.gz SDJFKQWOJNYUMY-CQSZACIVSA-N 1 0 243.375 3.350 10 0 BGAERO CCC[N@H+](C(C)C)[C@H](CN)CCc1ccccc1 ZINC000061624563 169049883 /nfs/dbraw/zinc/04/98/83/169049883.db2.gz SCMUUHSAAYFBIY-INIZCTEOSA-N 1 0 248.414 3.067 10 0 BGAERO CCC[N@H+](C(C)C)[C@@H](CN)CCc1ccccc1 ZINC000061624564 169049621 /nfs/dbraw/zinc/04/96/21/169049621.db2.gz SCMUUHSAAYFBIY-MRXNPFEDSA-N 1 0 248.414 3.067 10 0 BGAERO CC[C@H](C)[N@H+](CC)[C@H](CN)CCc1ccccc1 ZINC000061624593 171312194 /nfs/dbraw/zinc/31/21/94/171312194.db2.gz YBFPLXWSJLDPRO-HOCLYGCPSA-N 1 0 248.414 3.067 10 0 BGAERO Cc1nc([C@@H]([NH3+])CCc2ccccc2)sc1C ZINC000061625679 180040268 /nfs/dbraw/zinc/04/02/68/180040268.db2.gz PZDATUFCWQUUMX-ZDUSSCGKSA-N 1 0 246.379 3.393 10 0 BGAERO CC[NH2+][C@@H](CCc1ccccc1)c1nccs1 ZINC000061625715 170145106 /nfs/dbraw/zinc/14/51/06/170145106.db2.gz QMNZMWKDQAWDTG-ZDUSSCGKSA-N 1 0 246.379 3.427 10 0 BGAERO CC[NH2+][C@H](CCc1ccccc1)c1nccs1 ZINC000061625716 170162740 /nfs/dbraw/zinc/16/27/40/170162740.db2.gz QMNZMWKDQAWDTG-CYBMUJFWSA-N 1 0 246.379 3.427 10 0 BGAERO [NH2+]=C1CCCN1Cc1ccccc1C(F)(F)F ZINC000061627092 181206905 /nfs/dbraw/zinc/20/69/05/181206905.db2.gz IBIQNUMLIVEKGU-UHFFFAOYSA-N 1 0 242.244 3.278 10 0 BGAERO Cc1cccc(SCc2cccnc2C[NH3+])c1 ZINC000061658075 179177444 /nfs/dbraw/zinc/17/74/44/179177444.db2.gz AIEPTSLSGKWGLY-UHFFFAOYSA-N 1 0 244.363 3.141 10 0 BGAERO COc1ccc([C@@H]2CCCCC[NH2+]2)cc1F ZINC000061668686 640986027 /nfs/dbraw/zinc/98/60/27/640986027.db2.gz CYQMULGANCJLMB-LBPRGKRZSA-N 1 0 223.291 3.039 10 0 BGAERO COc1ccc([C@H]2CCCCC[NH2+]2)cc1F ZINC000061668688 640985548 /nfs/dbraw/zinc/98/55/48/640985548.db2.gz CYQMULGANCJLMB-GFCCVEGCSA-N 1 0 223.291 3.039 10 0 BGAERO CCCCc1ccc([C@H]([NH3+])C2CCOCC2)cc1 ZINC000061671446 169023523 /nfs/dbraw/zinc/02/35/23/169023523.db2.gz GRTJCEABYLREFT-INIZCTEOSA-N 1 0 247.382 3.456 10 0 BGAERO CCCCc1ccc([C@@H]([NH3+])C2CCOCC2)cc1 ZINC000061671447 169022022 /nfs/dbraw/zinc/02/20/22/169022022.db2.gz GRTJCEABYLREFT-MRXNPFEDSA-N 1 0 247.382 3.456 10 0 BGAERO [NH3+][C@@H](c1csc2ccccc12)C1CCOCC1 ZINC000061671503 345810449 /nfs/dbraw/zinc/81/04/49/345810449.db2.gz AFWOBLXKKGILRL-CQSZACIVSA-N 1 0 247.363 3.328 10 0 BGAERO [NH3+][C@H](c1csc2ccccc12)C1CCOCC1 ZINC000061671504 345810103 /nfs/dbraw/zinc/81/01/03/345810103.db2.gz AFWOBLXKKGILRL-AWEZNQCLSA-N 1 0 247.363 3.328 10 0 BGAERO C[NH2+][C@@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000061671601 173427947 /nfs/dbraw/zinc/42/79/47/173427947.db2.gz ZSLBNRHUYLKZEI-ZDUSSCGKSA-N 1 0 239.746 3.027 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)cc1)C1CCOCC1 ZINC000061671602 385129027 /nfs/dbraw/zinc/12/90/27/385129027.db2.gz ZSLBNRHUYLKZEI-CYBMUJFWSA-N 1 0 239.746 3.027 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)s1)C1CCOCC1 ZINC000061671785 170146985 /nfs/dbraw/zinc/14/69/85/170146985.db2.gz RSRYKCVCPDCXLX-CYBMUJFWSA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)s1)C1CCOCC1 ZINC000061671786 170163075 /nfs/dbraw/zinc/16/30/75/170163075.db2.gz RSRYKCVCPDCXLX-ZDUSSCGKSA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@@H](c1sccc1C)C1CCOCC1 ZINC000061672201 170149879 /nfs/dbraw/zinc/14/98/79/170149879.db2.gz MEXOIMWPDHMSCO-GFCCVEGCSA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@H](c1sccc1C)C1CCOCC1 ZINC000061672203 170165067 /nfs/dbraw/zinc/16/50/67/170165067.db2.gz MEXOIMWPDHMSCO-LBPRGKRZSA-N 1 0 239.384 3.134 10 0 BGAERO CCC[NH2+][C@H](C1=CCCCC1)C1CCOCC1 ZINC000061672246 169288334 /nfs/dbraw/zinc/28/83/34/169288334.db2.gz YLQSUZVEHFGXQY-OAHLLOKOSA-N 1 0 237.387 3.282 10 0 BGAERO CCC[NH2+][C@@H](C1=CCCCC1)C1CCOCC1 ZINC000061672247 169277502 /nfs/dbraw/zinc/27/75/02/169277502.db2.gz YLQSUZVEHFGXQY-HNNXBMFYSA-N 1 0 237.387 3.282 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccccc1)C1CCOCC1 ZINC000061672979 169279488 /nfs/dbraw/zinc/27/94/88/169279488.db2.gz CGFZHFSTXMJJJR-INIZCTEOSA-N 1 0 247.382 3.024 10 0 BGAERO CCC[NH2+][C@H](Cc1ccccc1)C1CCOCC1 ZINC000061672980 169290204 /nfs/dbraw/zinc/29/02/04/169290204.db2.gz CGFZHFSTXMJJJR-MRXNPFEDSA-N 1 0 247.382 3.024 10 0 BGAERO C[NH2+]CC1(CCCc2ccccc2)CCOCC1 ZINC000061674084 173337716 /nfs/dbraw/zinc/33/77/16/173337716.db2.gz ONZRWFOLOWAISR-UHFFFAOYSA-N 1 0 247.382 3.026 10 0 BGAERO CC(C)[NH2+]CC1(CC2CCCC2)CCOCC1 ZINC000061674333 167100930 /nfs/dbraw/zinc/10/09/30/167100930.db2.gz SCEJXJZDRMRTKN-UHFFFAOYSA-N 1 0 239.403 3.362 10 0 BGAERO CC[C@@H](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000061674568 170689639 /nfs/dbraw/zinc/68/96/39/170689639.db2.gz WTPJTJYHOUKDRP-CQSZACIVSA-N 1 0 241.419 3.465 10 0 BGAERO CC[C@H](C)CC1(C[NH2+]CC(C)C)CCOCC1 ZINC000061674569 171263439 /nfs/dbraw/zinc/26/34/39/171263439.db2.gz WTPJTJYHOUKDRP-AWEZNQCLSA-N 1 0 241.419 3.465 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061681030 177350376 /nfs/dbraw/zinc/35/03/76/177350376.db2.gz LUFBTUYHRXWXFW-JQWIXIFHSA-N 1 0 244.363 3.308 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000061681032 177386094 /nfs/dbraw/zinc/38/60/94/177386094.db2.gz LUFBTUYHRXWXFW-CMPLNLGQSA-N 1 0 244.363 3.308 10 0 BGAERO CC[NH2+][C@@H](CCCOC)Cc1ccc(C)c(C)c1 ZINC000061681693 170144576 /nfs/dbraw/zinc/14/45/76/170144576.db2.gz OVVPJKCRRBEGGI-INIZCTEOSA-N 1 0 249.398 3.251 10 0 BGAERO CC[NH2+][C@H](CCCOC)Cc1ccc(C)c(C)c1 ZINC000061681694 170161941 /nfs/dbraw/zinc/16/19/41/170161941.db2.gz OVVPJKCRRBEGGI-MRXNPFEDSA-N 1 0 249.398 3.251 10 0 BGAERO COc1ccc(C)cc1C[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000061686330 175076517 /nfs/dbraw/zinc/07/65/17/175076517.db2.gz HQMRYWNQJJOYCQ-TZMCWYRMSA-N 1 0 235.371 3.166 10 0 BGAERO COc1ccc(C)cc1C[C@H](C(C)C)[C@H](C)[NH3+] ZINC000061686332 175077080 /nfs/dbraw/zinc/07/70/80/175077080.db2.gz HQMRYWNQJJOYCQ-GXTWGEPZSA-N 1 0 235.371 3.166 10 0 BGAERO COc1ccc2[nH+]c(C)c(C(C)C)c(N)c2c1 ZINC000061687772 343728020 /nfs/dbraw/zinc/72/80/20/343728020.db2.gz JHCUQKOWDWFPOS-UHFFFAOYSA-N 1 0 230.311 3.257 10 0 BGAERO Cc1cc(C)n(-c2ccc([C@@H](C)[NH3+])cc2Cl)n1 ZINC000061698325 188128121 /nfs/dbraw/zinc/12/81/21/188128121.db2.gz UOEGJFHFQWZAPQ-SNVBAGLBSA-N 1 0 249.745 3.162 10 0 BGAERO C[C@H]([NH3+])c1ccc(OCC2CC2)c(Cl)c1 ZINC000061698645 176776743 /nfs/dbraw/zinc/77/67/43/176776743.db2.gz NCPQFTAKUGNUDH-QMMMGPOBSA-N 1 0 225.719 3.149 10 0 BGAERO CCOc1ccc([C@@H](C)[NH2+]C)cc1Cl ZINC000061698725 170558158 /nfs/dbraw/zinc/55/81/58/170558158.db2.gz APGUOPFADYFGCI-MRVPVSSYSA-N 1 0 213.708 3.019 10 0 BGAERO CCSc1ccc([C@H](C)[NH3+])cc1Cl ZINC000061699886 384670984 /nfs/dbraw/zinc/67/09/84/384670984.db2.gz QASGEKBDDVGEGJ-ZETCQYMHSA-N 1 0 215.749 3.472 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(SC)c(Cl)c1 ZINC000061700281 345842536 /nfs/dbraw/zinc/84/25/36/345842536.db2.gz XGMBGNSLYHJONF-ZETCQYMHSA-N 1 0 215.749 3.342 10 0 BGAERO C[NH2+][C@H](C)c1ccc(SC)c(Cl)c1 ZINC000061700282 345842562 /nfs/dbraw/zinc/84/25/62/345842562.db2.gz XGMBGNSLYHJONF-SSDOTTSWSA-N 1 0 215.749 3.342 10 0 BGAERO CSc1ccc([C@H](C)[NH3+])cc1Br ZINC000061700293 384671733 /nfs/dbraw/zinc/67/17/33/384671733.db2.gz MWIXXASSKKCKBZ-LURJTMIESA-N 1 0 246.173 3.191 10 0 BGAERO CSc1ccc([C@@H](C)[NH3+])cc1Br ZINC000061700294 188486547 /nfs/dbraw/zinc/48/65/47/188486547.db2.gz MWIXXASSKKCKBZ-ZCFIWIBFSA-N 1 0 246.173 3.191 10 0 BGAERO CCC[C@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703541 345841402 /nfs/dbraw/zinc/84/14/02/345841402.db2.gz FTHLHQNYFGXHBU-JTQLQIEISA-N 1 0 233.233 3.385 10 0 BGAERO CCC[C@@H]([NH3+])c1cccc(OC(F)(F)F)c1 ZINC000061703542 345841516 /nfs/dbraw/zinc/84/15/16/345841516.db2.gz FTHLHQNYFGXHBU-SNVBAGLBSA-N 1 0 233.233 3.385 10 0 BGAERO CCC[NH2+]CCc1cccc(OC(F)(F)F)c1 ZINC000061703810 169261684 /nfs/dbraw/zinc/26/16/84/169261684.db2.gz FXJJUCKSKYRVDP-UHFFFAOYSA-N 1 0 247.260 3.127 10 0 BGAERO [NH3+]C1(c2nc(-c3cccc(F)c3)cs2)CCC1 ZINC000061713478 181335669 /nfs/dbraw/zinc/33/56/69/181335669.db2.gz IAMJOWUUOHLBAY-UHFFFAOYSA-N 1 0 248.326 3.287 10 0 BGAERO Cc1ccccc1-c1csc(C2([NH3+])CCC2)n1 ZINC000061713486 179237188 /nfs/dbraw/zinc/23/71/88/179237188.db2.gz RLNWXRXGMANLCL-UHFFFAOYSA-N 1 0 244.363 3.456 10 0 BGAERO [NH3+]C1(c2nc3c(s2)Cc2ccccc2-3)CCC1 ZINC000061713537 181335703 /nfs/dbraw/zinc/33/57/03/181335703.db2.gz DKVVPUXDDOEPDJ-UHFFFAOYSA-N 1 0 242.347 3.052 10 0 BGAERO [NH3+]C1(c2nc(-c3ccc(F)cc3)cs2)CCC1 ZINC000061713542 181335589 /nfs/dbraw/zinc/33/55/89/181335589.db2.gz CSNLUUKAMNDSBT-UHFFFAOYSA-N 1 0 248.326 3.287 10 0 BGAERO Cc1ccc(-c2csc(C3([NH3+])CCC3)n2)cc1 ZINC000061713560 178330730 /nfs/dbraw/zinc/33/07/30/178330730.db2.gz NVMMHOBMTRDTHE-UHFFFAOYSA-N 1 0 244.363 3.456 10 0 BGAERO C[C@@H]1CCC[C@H](Sc2ccnc(C[NH3+])c2)C1 ZINC000061812393 176146396 /nfs/dbraw/zinc/14/63/96/176146396.db2.gz DLUOIYNIBHRSMH-PWSUYJOCSA-N 1 0 236.384 3.211 10 0 BGAERO C[C@H]1CCC[C@H](Sc2ccnc(C[NH3+])c2)C1 ZINC000061812394 177139195 /nfs/dbraw/zinc/13/91/95/177139195.db2.gz DLUOIYNIBHRSMH-JQWIXIFHSA-N 1 0 236.384 3.211 10 0 BGAERO C[C@@H]1CCC[C@@H](Sc2ccnc(C[NH3+])c2)C1 ZINC000061812395 176125132 /nfs/dbraw/zinc/12/51/32/176125132.db2.gz DLUOIYNIBHRSMH-ZYHUDNBSSA-N 1 0 236.384 3.211 10 0 BGAERO C[C@H]1CCC[C@@H](Sc2ccnc(C[NH3+])c2)C1 ZINC000061812396 177123365 /nfs/dbraw/zinc/12/33/65/177123365.db2.gz DLUOIYNIBHRSMH-CMPLNLGQSA-N 1 0 236.384 3.211 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)CCCOc1ccccc1 ZINC000061816140 170140170 /nfs/dbraw/zinc/14/01/70/170140170.db2.gz CVMVGRLUOWHGIM-KBPBESRZSA-N 1 0 235.371 3.480 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)CCCOc1ccccc1 ZINC000061816141 170158671 /nfs/dbraw/zinc/15/86/71/170158671.db2.gz CVMVGRLUOWHGIM-UONOGXRCSA-N 1 0 235.371 3.480 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)CCCOc1ccccc1 ZINC000061816143 170158589 /nfs/dbraw/zinc/15/85/89/170158589.db2.gz CVMVGRLUOWHGIM-ZIAGYGMSSA-N 1 0 235.371 3.480 10 0 BGAERO CC(C)C[C@H](C[NH3+])CCCOc1ccccc1 ZINC000061817163 188302197 /nfs/dbraw/zinc/30/21/97/188302197.db2.gz LARDGWHQYWBYRS-CQSZACIVSA-N 1 0 235.371 3.467 10 0 BGAERO [NH3+]CC1(CCCOc2ccccc2)CCCC1 ZINC000061817262 181359519 /nfs/dbraw/zinc/35/95/19/181359519.db2.gz OTFOVKLQCJZHSZ-UHFFFAOYSA-N 1 0 233.355 3.365 10 0 BGAERO CC[NH2+]CC(C)(C)CCCOc1ccccc1 ZINC000061817273 170110957 /nfs/dbraw/zinc/11/09/57/170110957.db2.gz WTWAECBIVXGVAL-UHFFFAOYSA-N 1 0 235.371 3.481 10 0 BGAERO C[C@@H](c1cccc(N)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818279 176018454 /nfs/dbraw/zinc/01/84/54/176018454.db2.gz HETRXAOXZDAPRN-LBPRGKRZSA-N 1 0 232.371 3.452 10 0 BGAERO C[C@H](c1cccc(N)c1)[NH+]1CCC(C)(C)CC1 ZINC000061818280 177036287 /nfs/dbraw/zinc/03/62/87/177036287.db2.gz HETRXAOXZDAPRN-GFCCVEGCSA-N 1 0 232.371 3.452 10 0 BGAERO Cc1ccccc1[C@H](CN)[NH+]1CCC(C)(C)CC1 ZINC000061818546 179342445 /nfs/dbraw/zinc/34/24/45/179342445.db2.gz YDNCOPLRSXZXRR-HNNXBMFYSA-N 1 0 246.398 3.117 10 0 BGAERO C[C@@H]1CCCC[C@@]1(CN)[NH+]1CCC(C)(C)CC1 ZINC000061819101 176083308 /nfs/dbraw/zinc/08/33/08/176083308.db2.gz WHTRIMRJUPQTKJ-HIFRSBDPSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@H]1CCCC[C@@]1(CN)[NH+]1CCC(C)(C)CC1 ZINC000061819102 177085448 /nfs/dbraw/zinc/08/54/48/177085448.db2.gz WHTRIMRJUPQTKJ-ZFWWWQNUSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@@H]1CCCC[C@]1(CN)[NH+]1CCC(C)(C)CC1 ZINC000061819103 176089958 /nfs/dbraw/zinc/08/99/58/176089958.db2.gz WHTRIMRJUPQTKJ-UKRRQHHQSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@H]1CCCC[C@]1(CN)[NH+]1CCC(C)(C)CC1 ZINC000061819104 177090262 /nfs/dbraw/zinc/09/02/62/177090262.db2.gz WHTRIMRJUPQTKJ-DZGCQCFKSA-N 1 0 238.419 3.016 10 0 BGAERO CC[NH2+][C@@H](C)CN1CCC2(CCCCC2)CC1 ZINC000061819378 170138943 /nfs/dbraw/zinc/13/89/43/170138943.db2.gz NLYWZTWKINVUFS-AWEZNQCLSA-N 1 0 238.419 3.031 10 0 BGAERO CC[NH2+][C@H](C)CN1CCC2(CCCCC2)CC1 ZINC000061819379 170156739 /nfs/dbraw/zinc/15/67/39/170156739.db2.gz NLYWZTWKINVUFS-CQSZACIVSA-N 1 0 238.419 3.031 10 0 BGAERO CCC[NH2+][C@@H](CCC)CN1CCC(C)(C)CC1 ZINC000061819451 169277903 /nfs/dbraw/zinc/27/79/03/169277903.db2.gz QOPDFGWBJUMVJQ-AWEZNQCLSA-N 1 0 240.435 3.277 10 0 BGAERO CCC[NH2+][C@H](CCC)CN1CCC(C)(C)CC1 ZINC000061819452 169289192 /nfs/dbraw/zinc/28/91/92/169289192.db2.gz QOPDFGWBJUMVJQ-CQSZACIVSA-N 1 0 240.435 3.277 10 0 BGAERO C[C@](O)(C[NH+]1CCC(C)(C)CC1)c1ccccc1 ZINC000061821142 640996349 /nfs/dbraw/zinc/99/63/49/640996349.db2.gz VHVRAHHZOBPAGF-INIZCTEOSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@@](O)(C[NH+]1CCC(C)(C)CC1)c1ccccc1 ZINC000061821143 640996928 /nfs/dbraw/zinc/99/69/28/640996928.db2.gz VHVRAHHZOBPAGF-MRXNPFEDSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@@H]([C@H](O)c1ccccc1)[NH+]1CCC(C)(C)CC1 ZINC000061821529 176011915 /nfs/dbraw/zinc/01/19/15/176011915.db2.gz WFDWRKDVROVHCV-ZFWWWQNUSA-N 1 0 247.382 3.231 10 0 BGAERO C[C@H]([C@H](O)c1ccccc1)[NH+]1CCC(C)(C)CC1 ZINC000061821530 177031592 /nfs/dbraw/zinc/03/15/92/177031592.db2.gz WFDWRKDVROVHCV-HIFRSBDPSA-N 1 0 247.382 3.231 10 0 BGAERO C[C@@H]([C@@H](O)c1ccccc1)[NH+]1CCC(C)(C)CC1 ZINC000061821531 176011260 /nfs/dbraw/zinc/01/12/60/176011260.db2.gz WFDWRKDVROVHCV-DZGCQCFKSA-N 1 0 247.382 3.231 10 0 BGAERO C[C@H]([C@@H](O)c1ccccc1)[NH+]1CCC(C)(C)CC1 ZINC000061821532 177031200 /nfs/dbraw/zinc/03/12/00/177031200.db2.gz WFDWRKDVROVHCV-UKRRQHHQSA-N 1 0 247.382 3.231 10 0 BGAERO CCNc1cc(C[NH+]2CCC(C)(C)CC2)ccn1 ZINC000061822145 170172532 /nfs/dbraw/zinc/17/25/32/170172532.db2.gz OHSMLCAFSNGQNR-UHFFFAOYSA-N 1 0 247.386 3.135 10 0 BGAERO Cc1ccc(C[NH+]2CCC(C)(C)CC2)cc1N ZINC000061822634 178563392 /nfs/dbraw/zinc/56/33/92/178563392.db2.gz BRCVKAZIZNYHON-UHFFFAOYSA-N 1 0 232.371 3.199 10 0 BGAERO CC(C)[NH2+]C[C@H](C(C)C)N1CCC(C)(C)CC1 ZINC000061823256 167113432 /nfs/dbraw/zinc/11/34/32/167113432.db2.gz SWLLGJXMRHVUSD-CQSZACIVSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)[NH2+]C[C@@H](C(C)C)N1CCC(C)(C)CC1 ZINC000061823257 167109947 /nfs/dbraw/zinc/10/99/47/167109947.db2.gz SWLLGJXMRHVUSD-AWEZNQCLSA-N 1 0 240.435 3.131 10 0 BGAERO CCC(CC)[NH2+]C[C@@H](C)N1CCC(C)(C)CC1 ZINC000061823468 168388007 /nfs/dbraw/zinc/38/80/07/168388007.db2.gz JKVXBRFKZPYOMJ-CYBMUJFWSA-N 1 0 240.435 3.275 10 0 BGAERO CCC(CC)[NH2+]C[C@H](C)N1CCC(C)(C)CC1 ZINC000061823469 168388926 /nfs/dbraw/zinc/38/89/26/168388926.db2.gz JKVXBRFKZPYOMJ-ZDUSSCGKSA-N 1 0 240.435 3.275 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH3+])CC(C)(C)CC2 ZINC000061825892 175216353 /nfs/dbraw/zinc/21/63/53/175216353.db2.gz BNHUYNUIFQKTPT-CYBMUJFWSA-N 1 0 219.328 3.058 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)CC2 ZINC000061825893 175214548 /nfs/dbraw/zinc/21/45/48/175214548.db2.gz BNHUYNUIFQKTPT-ZDUSSCGKSA-N 1 0 219.328 3.058 10 0 BGAERO CCOc1ccc(C)c2c1CC[C@H](C)C[C@@H]2[NH3+] ZINC000061831475 170539525 /nfs/dbraw/zinc/53/95/25/170539525.db2.gz OCSVJHRLWOMKKV-GWCFXTLKSA-N 1 0 233.355 3.366 10 0 BGAERO CCOc1ccc(C)c2c1CC[C@@H](C)C[C@H]2[NH3+] ZINC000061831478 170540021 /nfs/dbraw/zinc/54/00/21/170540021.db2.gz OCSVJHRLWOMKKV-ZWNOBZJWSA-N 1 0 233.355 3.366 10 0 BGAERO CCOc1ccc2c(c1)[C@H]([NH2+]C)C[C@@H](C)CC2 ZINC000061831505 170569211 /nfs/dbraw/zinc/56/92/11/170569211.db2.gz OWZPCTXBPGVDDZ-XHDPSFHLSA-N 1 0 233.355 3.318 10 0 BGAERO CC1CCC([NH3+])(c2ccc(F)c(F)c2F)CC1 ZINC000061837886 168159810 /nfs/dbraw/zinc/15/98/10/168159810.db2.gz GTKUOCXWIPRFQL-UHFFFAOYSA-N 1 0 243.272 3.468 10 0 BGAERO C[C@@H]1CCCC[C@]1([NH3+])c1ccc(F)c(F)c1F ZINC000061837895 176091078 /nfs/dbraw/zinc/09/10/78/176091078.db2.gz IXSMVAFLRKMKIX-AMIZOPFISA-N 1 0 243.272 3.468 10 0 BGAERO C[C@H]1CCCC[C@]1([NH3+])c1ccc(F)c(F)c1F ZINC000061837896 177090206 /nfs/dbraw/zinc/09/02/06/177090206.db2.gz IXSMVAFLRKMKIX-ISVAXAHUSA-N 1 0 243.272 3.468 10 0 BGAERO C[C@@H]1CCCC[C@@]1([NH3+])c1ccc(F)c(F)c1F ZINC000061837897 176083306 /nfs/dbraw/zinc/08/33/06/176083306.db2.gz IXSMVAFLRKMKIX-OQPBUACISA-N 1 0 243.272 3.468 10 0 BGAERO C[C@H]1CCCC[C@@]1([NH3+])c1ccc(F)c(F)c1F ZINC000061837898 177085042 /nfs/dbraw/zinc/08/50/42/177085042.db2.gz IXSMVAFLRKMKIX-SDBXPKJASA-N 1 0 243.272 3.468 10 0 BGAERO [NH3+][C@@H](c1ccsc1)c1ccc(F)c(F)c1F ZINC000061838319 181568419 /nfs/dbraw/zinc/56/84/19/181568419.db2.gz UVZWGMWWAFHIND-NSHDSACASA-N 1 0 243.253 3.214 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc(F)c(F)c1F ZINC000061838334 345957308 /nfs/dbraw/zinc/95/73/08/345957308.db2.gz PUXRHSPWYVZAOQ-VIFPVBQESA-N 1 0 217.234 3.150 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc(F)c(F)c1F ZINC000061838335 345957332 /nfs/dbraw/zinc/95/73/32/345957332.db2.gz PUXRHSPWYVZAOQ-SECBINFHSA-N 1 0 217.234 3.150 10 0 BGAERO [NH3+][C@H](CC(F)(F)F)c1ccc(F)c(F)c1F ZINC000061838572 343729658 /nfs/dbraw/zinc/72/96/58/343729658.db2.gz MLHHDBLMZSHTCM-ZCFIWIBFSA-N 1 0 243.150 3.056 10 0 BGAERO [NH3+][C@@H](CC(F)(F)F)c1ccc(F)c(F)c1F ZINC000061838573 343729666 /nfs/dbraw/zinc/72/96/66/343729666.db2.gz MLHHDBLMZSHTCM-LURJTMIESA-N 1 0 243.150 3.056 10 0 BGAERO Cc1cccc(CN(C)[C@H](C[NH3+])CC(C)(C)C)c1 ZINC000061839848 179068795 /nfs/dbraw/zinc/06/87/95/179068795.db2.gz ZRNXILDTMYQEOH-HNNXBMFYSA-N 1 0 248.414 3.190 10 0 BGAERO Cc1cccc(CN(C)[C@@H](C[NH3+])CC(C)(C)C)c1 ZINC000061839849 179070302 /nfs/dbraw/zinc/07/03/02/179070302.db2.gz ZRNXILDTMYQEOH-OAHLLOKOSA-N 1 0 248.414 3.190 10 0 BGAERO CC1CCC([N@H+](C)[C@H](CN)CC(C)(C)C)CC1 ZINC000061839904 168160369 /nfs/dbraw/zinc/16/03/69/168160369.db2.gz FBLAJLBONWNZKV-RUXDESIVSA-N 1 0 240.435 3.260 10 0 BGAERO CC1CCC([N@H+](C)[C@@H](CN)CC(C)(C)C)CC1 ZINC000061839905 168160118 /nfs/dbraw/zinc/16/01/18/168160118.db2.gz FBLAJLBONWNZKV-JXQTWKCFSA-N 1 0 240.435 3.260 10 0 BGAERO C[C@@H]1CCC[C@H]([N@H+](C)[C@H](CN)CC(C)(C)C)C1 ZINC000061839924 176140813 /nfs/dbraw/zinc/14/08/13/176140813.db2.gz KIFRMSPOQRGKQZ-RDBSUJKOSA-N 1 0 240.435 3.260 10 0 BGAERO C[C@@H]1CCC[C@@H]([N@H+](C)[C@H](CN)CC(C)(C)C)C1 ZINC000061839926 176120991 /nfs/dbraw/zinc/12/09/91/176120991.db2.gz KIFRMSPOQRGKQZ-MCIONIFRSA-N 1 0 240.435 3.260 10 0 BGAERO Cc1nc([C@H]([NH3+])CC(C)(C)C)sc1C ZINC000061840492 180052775 /nfs/dbraw/zinc/05/27/75/180052775.db2.gz XPMNGMYBWKQGOP-SECBINFHSA-N 1 0 212.362 3.196 10 0 BGAERO Cc1nc([C@@H]([NH3+])CC(C)(C)C)sc1C ZINC000061840493 180039412 /nfs/dbraw/zinc/03/94/12/180039412.db2.gz XPMNGMYBWKQGOP-VIFPVBQESA-N 1 0 212.362 3.196 10 0 BGAERO CC(C)(C)C[C@H]([NH3+])c1nc2c(s1)CCC2 ZINC000061840498 166602531 /nfs/dbraw/zinc/60/25/31/166602531.db2.gz VSRLDUSWXLHEHE-QMMMGPOBSA-N 1 0 224.373 3.068 10 0 BGAERO CCc1nc([C@H]([NH3+])CC(C)(C)C)sc1C ZINC000061840502 172007272 /nfs/dbraw/zinc/00/72/72/172007272.db2.gz XLOGSFISEHXWPO-SECBINFHSA-N 1 0 226.389 3.450 10 0 BGAERO CCc1nc([C@@H]([NH3+])CC(C)(C)C)sc1C ZINC000061840503 172001881 /nfs/dbraw/zinc/00/18/81/172001881.db2.gz XLOGSFISEHXWPO-VIFPVBQESA-N 1 0 226.389 3.450 10 0 BGAERO C[NH2+][C@H](CC(C)(C)C)c1nc2c(s1)CCC2 ZINC000061840517 173451312 /nfs/dbraw/zinc/45/13/12/173451312.db2.gz YPPSLXWPQPNSRL-SNVBAGLBSA-N 1 0 238.400 3.329 10 0 BGAERO CC(C)Sc1ccc(C[NH3+])c(Cl)c1 ZINC000061847184 167337375 /nfs/dbraw/zinc/33/73/75/167337375.db2.gz MWPAWPLSURGHDY-UHFFFAOYSA-N 1 0 215.749 3.299 10 0 BGAERO NC(=[NH2+])c1ccc(Oc2ccccc2)cc1Cl ZINC000061856839 181194878 /nfs/dbraw/zinc/19/48/78/181194878.db2.gz UINJPTQFKYNWNL-UHFFFAOYSA-N 1 0 246.697 3.416 10 0 BGAERO CC(C)Sc1ccc(C(N)=[NH2+])c(Cl)c1 ZINC000061857033 345963234 /nfs/dbraw/zinc/96/32/34/345963234.db2.gz HLCBNEGYLKBYCL-UHFFFAOYSA-N 1 0 228.748 3.125 10 0 BGAERO CCc1oc2ccccc2c1[C@@H](C)[NH2+]C ZINC000061877053 172111866 /nfs/dbraw/zinc/11/18/66/172111866.db2.gz PIDTYXBBOOOVGA-SECBINFHSA-N 1 0 203.285 3.276 10 0 BGAERO CCc1oc2ccccc2c1[C@H](C)[NH2+]C ZINC000061877054 172111960 /nfs/dbraw/zinc/11/19/60/172111960.db2.gz PIDTYXBBOOOVGA-VIFPVBQESA-N 1 0 203.285 3.276 10 0 BGAERO Cc1nc[nH]c1C[NH2+]CC[C@@H](C)c1ccccc1 ZINC000061910136 180120980 /nfs/dbraw/zinc/12/09/80/180120980.db2.gz AWXVHFKVOILLDZ-GFCCVEGCSA-N 1 0 243.354 3.002 10 0 BGAERO Cc1nc[nH]c1C[NH2+]CC[C@H](C)c1ccccc1 ZINC000061910137 180121913 /nfs/dbraw/zinc/12/19/13/180121913.db2.gz AWXVHFKVOILLDZ-LBPRGKRZSA-N 1 0 243.354 3.002 10 0 BGAERO C[C@H](CC[N@@H+]1CCC(=O)[C@H](C)C1)c1ccccc1 ZINC000061910670 176292311 /nfs/dbraw/zinc/29/23/11/176292311.db2.gz DTSONSUSCDMOTC-ZIAGYGMSSA-N 1 0 245.366 3.091 10 0 BGAERO C[C@H](CC[N@@H+]1CCC(=O)[C@@H](C)C1)c1ccccc1 ZINC000061910671 177254593 /nfs/dbraw/zinc/25/45/93/177254593.db2.gz DTSONSUSCDMOTC-KGLIPLIRSA-N 1 0 245.366 3.091 10 0 BGAERO C[C@H](CCNC1=[NH+]C[C@@H](C)S1)c1ccccc1 ZINC000061911266 176323846 /nfs/dbraw/zinc/32/38/46/176323846.db2.gz KIQQOQGKSPDOHH-VXGBXAGGSA-N 1 0 248.395 3.261 10 0 BGAERO C[C@H](CCNC1=[NH+]C[C@H](C)S1)c1ccccc1 ZINC000061911268 177282194 /nfs/dbraw/zinc/28/21/94/177282194.db2.gz KIQQOQGKSPDOHH-NEPJUHHUSA-N 1 0 248.395 3.261 10 0 BGAERO C[C@@H](CCNC1=[NH+]C[C@H](C)S1)c1ccccc1 ZINC000061911272 177281357 /nfs/dbraw/zinc/28/13/57/177281357.db2.gz KIQQOQGKSPDOHH-RYUDHWBXSA-N 1 0 248.395 3.261 10 0 BGAERO Cc1cccc(CN(C)c2cccc(C[NH3+])c2)c1 ZINC000061951555 179072685 /nfs/dbraw/zinc/07/26/85/179072685.db2.gz GVJNDAMHPRQSHN-UHFFFAOYSA-N 1 0 240.350 3.090 10 0 BGAERO Cc1ccccc1CN(C)c1cccc(C[NH3+])c1 ZINC000061951560 179271502 /nfs/dbraw/zinc/27/15/02/179271502.db2.gz SZVJYEQYIQZETH-UHFFFAOYSA-N 1 0 240.350 3.090 10 0 BGAERO C[C@@H](c1ccc(Cl)cc1)N(C)C(C)(C)C[NH3+] ZINC000062013251 176014285 /nfs/dbraw/zinc/01/42/85/176014285.db2.gz GROQMYYTWKIWKD-JTQLQIEISA-N 1 0 240.778 3.070 10 0 BGAERO C[C@H](c1ccc(Cl)cc1)N(C)C(C)(C)C[NH3+] ZINC000062013252 177032906 /nfs/dbraw/zinc/03/29/06/177032906.db2.gz GROQMYYTWKIWKD-SNVBAGLBSA-N 1 0 240.778 3.070 10 0 BGAERO C[C@@H](c1ccccc1Cl)N(C)C(C)(C)C[NH3+] ZINC000062013341 176024363 /nfs/dbraw/zinc/02/43/63/176024363.db2.gz KZOWKRIMJLPQRG-JTQLQIEISA-N 1 0 240.778 3.070 10 0 BGAERO C[C@H](c1ccccc1Cl)N(C)C(C)(C)C[NH3+] ZINC000062013342 177041840 /nfs/dbraw/zinc/04/18/40/177041840.db2.gz KZOWKRIMJLPQRG-SNVBAGLBSA-N 1 0 240.778 3.070 10 0 BGAERO C[C@@H](c1cccc(Cl)c1)N(C)C(C)(C)C[NH3+] ZINC000062013493 176016717 /nfs/dbraw/zinc/01/67/17/176016717.db2.gz CATHDQADSWROKL-JTQLQIEISA-N 1 0 240.778 3.070 10 0 BGAERO C[C@H](c1cccc(Cl)c1)N(C)C(C)(C)C[NH3+] ZINC000062013494 177035455 /nfs/dbraw/zinc/03/54/55/177035455.db2.gz CATHDQADSWROKL-SNVBAGLBSA-N 1 0 240.778 3.070 10 0 BGAERO C[C@@H](c1ccccc1F)N(C)c1cc(N)cc[nH+]1 ZINC000062014113 176025372 /nfs/dbraw/zinc/02/53/72/176025372.db2.gz ALQUYGHMSZYTQT-JTQLQIEISA-N 1 0 245.301 3.000 10 0 BGAERO C[C@H](c1ccccc1F)N(C)c1cc(N)cc[nH+]1 ZINC000062014114 177041504 /nfs/dbraw/zinc/04/15/04/177041504.db2.gz ALQUYGHMSZYTQT-SNVBAGLBSA-N 1 0 245.301 3.000 10 0 BGAERO C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2CCCC(C)C ZINC000062098862 173324092 /nfs/dbraw/zinc/32/40/92/173324092.db2.gz YIJURGYLDIXQJT-GOOCMWNKSA-N 1 0 238.419 3.028 10 0 BGAERO [NH3+][C@H]1c2ccccc2CCC[C@H]1Cc1ccco1 ZINC000062102418 181660968 /nfs/dbraw/zinc/66/09/68/181660968.db2.gz ZJNUPPKZAIRLEB-XJKSGUPXSA-N 1 0 241.334 3.475 10 0 BGAERO CC[NH2+]C[C@H](Cc1ccco1)Cc1ccccc1 ZINC000062102745 170119267 /nfs/dbraw/zinc/11/92/67/170119267.db2.gz CCUCPVJTBXZZRT-HNNXBMFYSA-N 1 0 243.350 3.291 10 0 BGAERO CC[NH2+]C[C@@H](Cc1ccco1)Cc1ccccc1 ZINC000062102746 170121774 /nfs/dbraw/zinc/12/17/74/170121774.db2.gz CCUCPVJTBXZZRT-OAHLLOKOSA-N 1 0 243.350 3.291 10 0 BGAERO C[NH2+]C[C@H](Cc1ccco1)Cc1ccc(F)cc1 ZINC000062102841 173364493 /nfs/dbraw/zinc/36/44/93/173364493.db2.gz SOWGLRBPJCJWHW-ZDUSSCGKSA-N 1 0 247.313 3.040 10 0 BGAERO C[NH2+]C[C@@H](Cc1ccco1)Cc1ccc(F)cc1 ZINC000062102842 173376138 /nfs/dbraw/zinc/37/61/38/173376138.db2.gz SOWGLRBPJCJWHW-CYBMUJFWSA-N 1 0 247.313 3.040 10 0 BGAERO C[NH2+]C[C@H](Cc1ccco1)Cc1ccccc1C ZINC000062102947 173376068 /nfs/dbraw/zinc/37/60/68/173376068.db2.gz CSSQSXHFQXYYJK-AWEZNQCLSA-N 1 0 243.350 3.209 10 0 BGAERO C[NH2+]C[C@@H](Cc1ccco1)Cc1ccccc1C ZINC000062102948 173364838 /nfs/dbraw/zinc/36/48/38/173364838.db2.gz CSSQSXHFQXYYJK-CQSZACIVSA-N 1 0 243.350 3.209 10 0 BGAERO c1coc(C[C@]2(C[NH2+]C3CC3)C[C@H]3CC[C@@H]2C3)c1 ZINC000062103044 183511535 /nfs/dbraw/zinc/51/15/35/183511535.db2.gz OYAQCKNGTMZLNC-ZENOOKHLSA-N 1 0 245.366 3.381 10 0 BGAERO c1coc(C[C@@]2(C[NH2+]C3CC3)C[C@H]3CC[C@@H]2C3)c1 ZINC000062103045 183511847 /nfs/dbraw/zinc/51/18/47/183511847.db2.gz OYAQCKNGTMZLNC-WOSRLPQWSA-N 1 0 245.366 3.381 10 0 BGAERO COc1ccc2ccccc2c1CC[C@H](C)[NH3+] ZINC000062153479 175225688 /nfs/dbraw/zinc/22/56/88/175225688.db2.gz WOUGFORKTMNCSM-NSHDSACASA-N 1 0 229.323 3.128 10 0 BGAERO COc1ccc2ccccc2c1CC[C@@H](C)[NH3+] ZINC000062153480 175225746 /nfs/dbraw/zinc/22/57/46/175225746.db2.gz WOUGFORKTMNCSM-LLVKDONJSA-N 1 0 229.323 3.128 10 0 BGAERO C[NH2+][C@@H](C)CCc1c(OC)ccc2ccccc21 ZINC000062164262 173414482 /nfs/dbraw/zinc/41/44/82/173414482.db2.gz ICTZJGOHCBBOPZ-LBPRGKRZSA-N 1 0 243.350 3.389 10 0 BGAERO C[NH2+][C@H](C)CCc1cccc(OC(C)C)c1 ZINC000062164325 173446044 /nfs/dbraw/zinc/44/60/44/173446044.db2.gz SZURGIQSHQHOQO-GFCCVEGCSA-N 1 0 221.344 3.014 10 0 BGAERO COc1ccc(CC[C@@H]([NH3+])C(C)(C)C)cc1 ZINC000062164404 175092671 /nfs/dbraw/zinc/09/26/71/175092671.db2.gz NRZAWCYCXIGJNP-CYBMUJFWSA-N 1 0 221.344 3.001 10 0 BGAERO COc1ccc(CC[C@H]([NH3+])C(C)(C)C)cc1 ZINC000062164406 175093990 /nfs/dbraw/zinc/09/39/90/175093990.db2.gz NRZAWCYCXIGJNP-ZDUSSCGKSA-N 1 0 221.344 3.001 10 0 BGAERO CCOc1ccccc1CC[C@H]([NH3+])C(C)(C)C ZINC000062164545 170590849 /nfs/dbraw/zinc/59/08/49/170590849.db2.gz GDBNJRMYUGIMKF-AWEZNQCLSA-N 1 0 235.371 3.391 10 0 BGAERO C[C@@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000062169040 349461158 /nfs/dbraw/zinc/46/11/58/349461158.db2.gz ZAOAQJWJEAOBEF-LBPRGKRZSA-N 1 0 203.329 3.150 10 0 BGAERO C[C@H](Cc1ccccc1)[NH2+]C1CCCC1 ZINC000062169041 349461298 /nfs/dbraw/zinc/46/12/98/349461298.db2.gz ZAOAQJWJEAOBEF-GFCCVEGCSA-N 1 0 203.329 3.150 10 0 BGAERO CCC[C@@H](C)[NH2+][C@@H](C)Cc1ccccc1 ZINC000062169090 169370656 /nfs/dbraw/zinc/37/06/56/169370656.db2.gz ORKKGGSOIQERPB-OLZOCXBDSA-N 1 0 205.345 3.396 10 0 BGAERO CCC[C@@H](C)[NH2+][C@H](C)Cc1ccccc1 ZINC000062169093 169371785 /nfs/dbraw/zinc/37/17/85/169371785.db2.gz ORKKGGSOIQERPB-CHWSQXEVSA-N 1 0 205.345 3.396 10 0 BGAERO C[C@H](Cc1ccccc1)[NH2+]Cc1cccc(O)c1 ZINC000062183407 176724405 /nfs/dbraw/zinc/72/44/05/176724405.db2.gz ZEQSMFRDIGZSLW-CYBMUJFWSA-N 1 0 241.334 3.113 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1cccc(O)c1 ZINC000062183965 177116746 /nfs/dbraw/zinc/11/67/46/177116746.db2.gz VWMRINNOMIEXRF-TXEJJXNPSA-N 1 0 219.328 3.155 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1cccc(O)c1 ZINC000062183968 177132455 /nfs/dbraw/zinc/13/24/55/177132455.db2.gz VWMRINNOMIEXRF-RYUDHWBXSA-N 1 0 219.328 3.155 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1cccc(O)c1 ZINC000062183970 176116509 /nfs/dbraw/zinc/11/65/09/176116509.db2.gz VWMRINNOMIEXRF-VXGBXAGGSA-N 1 0 219.328 3.155 10 0 BGAERO CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)Cc1ccccc1 ZINC000062184393 174874680 /nfs/dbraw/zinc/87/46/80/174874680.db2.gz MJNWDDMEXQZVKW-BPUTZDHNSA-N 1 0 247.382 3.165 10 0 BGAERO CCC[NH2+]C[C@]1(CCC(C)C)CCCOC1 ZINC000062194276 169264632 /nfs/dbraw/zinc/26/46/32/169264632.db2.gz LPZDFEQDBDSDIG-CQSZACIVSA-N 1 0 227.392 3.219 10 0 BGAERO CCC[NH2+]C[C@@]1(CCC(C)C)CCCOC1 ZINC000062194277 169263836 /nfs/dbraw/zinc/26/38/36/169263836.db2.gz LPZDFEQDBDSDIG-AWEZNQCLSA-N 1 0 227.392 3.219 10 0 BGAERO CC(C)[NH2+]C[C@]1(CC2CCCC2)CCCOC1 ZINC000062194834 167117115 /nfs/dbraw/zinc/11/71/15/167117115.db2.gz JEDPYSMALPUGRL-OAHLLOKOSA-N 1 0 239.403 3.362 10 0 BGAERO CC(C)[NH2+]C[C@@]1(CC2CCCC2)CCCOC1 ZINC000062194836 167113013 /nfs/dbraw/zinc/11/30/13/167113013.db2.gz JEDPYSMALPUGRL-HNNXBMFYSA-N 1 0 239.403 3.362 10 0 BGAERO CC[NH2+]Cc1sc(CSC(C)C)nc1C ZINC000062214192 170133111 /nfs/dbraw/zinc/13/31/11/170133111.db2.gz KCNVIEMZHJYKIC-UHFFFAOYSA-N 1 0 244.429 3.203 10 0 BGAERO CCCSCc1nc(C)c(C[NH2+]CC)s1 ZINC000062214200 169340576 /nfs/dbraw/zinc/34/05/76/169340576.db2.gz QQEVDKCGZLQONX-UHFFFAOYSA-N 1 0 244.429 3.204 10 0 BGAERO CC(C)[NH2+]Cc1csc(CSC(C)C)n1 ZINC000062214605 167120795 /nfs/dbraw/zinc/12/07/95/167120795.db2.gz QBDPLEIUPAQESY-UHFFFAOYSA-N 1 0 244.429 3.283 10 0 BGAERO CCCSCc1nc(C[NH2+]C(C)C)cs1 ZINC000062214615 169340430 /nfs/dbraw/zinc/34/04/30/169340430.db2.gz FBWSZRKPNKAJHJ-UHFFFAOYSA-N 1 0 244.429 3.284 10 0 BGAERO CC(C)C[C@]1(C[NH2+]C(C)(C)C)CCCOC1 ZINC000062228775 187273392 /nfs/dbraw/zinc/27/33/92/187273392.db2.gz SCXCWZXOTYTGTI-AWEZNQCLSA-N 1 0 227.392 3.217 10 0 BGAERO Cc1cc(C)c(C)c([C@H]([NH3+])[C@H]2CCCOC2)c1C ZINC000062230548 177854819 /nfs/dbraw/zinc/85/48/19/177854819.db2.gz GEAKRSKCQNIWLX-GOEBONIOSA-N 1 0 247.382 3.347 10 0 BGAERO Cc1cc(C)c(C)c([C@@H]([NH3+])[C@H]2CCCOC2)c1C ZINC000062230550 177854064 /nfs/dbraw/zinc/85/40/64/177854064.db2.gz GEAKRSKCQNIWLX-HOCLYGCPSA-N 1 0 247.382 3.347 10 0 BGAERO CCCc1ccc([C@H]([NH3+])[C@H]2CCCOC2)cc1 ZINC000062230608 169575319 /nfs/dbraw/zinc/57/53/19/169575319.db2.gz CRMGXUPELKZYCA-GJZGRUSLSA-N 1 0 233.355 3.066 10 0 BGAERO [NH3+][C@H](c1csc2ccccc12)[C@@H]1CCCOC1 ZINC000062230795 181634943 /nfs/dbraw/zinc/63/49/43/181634943.db2.gz FCTZNSPRYSFUBB-YGRLFVJLSA-N 1 0 247.363 3.328 10 0 BGAERO C[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000062231064 173427303 /nfs/dbraw/zinc/42/73/03/173427303.db2.gz LYWHJOVTMWSRKQ-YPMHNXCESA-N 1 0 239.746 3.027 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CCCOC1 ZINC000062231066 173456013 /nfs/dbraw/zinc/45/60/13/173456013.db2.gz LYWHJOVTMWSRKQ-DGCLKSJQSA-N 1 0 239.746 3.027 10 0 BGAERO C[NH2+][C@@H](c1c(C)cc(C)cc1C)[C@@H]1CCCOC1 ZINC000062231465 173426699 /nfs/dbraw/zinc/42/66/99/173426699.db2.gz DJDLYNZWPMSCHA-GDBMZVCRSA-N 1 0 247.382 3.299 10 0 BGAERO C[NH2+][C@H](c1cc(C)sc1C)[C@@H]1CCCOC1 ZINC000062231743 173455711 /nfs/dbraw/zinc/45/57/11/173455711.db2.gz QJXSMOYXBHIDPJ-YPMHNXCESA-N 1 0 239.384 3.052 10 0 BGAERO C[NH2+][C@H](c1cc(C)sc1C)[C@H]1CCCOC1 ZINC000062231777 173455577 /nfs/dbraw/zinc/45/55/77/173455577.db2.gz QJXSMOYXBHIDPJ-AAEUAGOBSA-N 1 0 239.384 3.052 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@@H]1CCCOC1 ZINC000062232217 170147572 /nfs/dbraw/zinc/14/75/72/170147572.db2.gz ZIWYIWJSJCGRMQ-CVEARBPZSA-N 1 0 247.382 3.381 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)[C@@H]1CCCOC1 ZINC000062232229 170163525 /nfs/dbraw/zinc/16/35/25/170163525.db2.gz ZIWYIWJSJCGRMQ-HZPDHXFCSA-N 1 0 247.382 3.381 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)c(C)c1)[C@H]1CCCOC1 ZINC000062232239 170147713 /nfs/dbraw/zinc/14/77/13/170147713.db2.gz ZIWYIWJSJCGRMQ-HOTGVXAUSA-N 1 0 247.382 3.381 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)c(C)c1)[C@H]1CCCOC1 ZINC000062232253 170163125 /nfs/dbraw/zinc/16/31/25/170163125.db2.gz ZIWYIWJSJCGRMQ-JKSUJKDBSA-N 1 0 247.382 3.381 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@@H]1CCCOC1 ZINC000062232310 170147348 /nfs/dbraw/zinc/14/73/48/170147348.db2.gz HXHSUBSIRFNVAC-DGCLKSJQSA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)s1)[C@@H]1CCCOC1 ZINC000062232315 170163533 /nfs/dbraw/zinc/16/35/33/170163533.db2.gz HXHSUBSIRFNVAC-YPMHNXCESA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)s1)[C@H]1CCCOC1 ZINC000062232318 170147748 /nfs/dbraw/zinc/14/77/48/170147748.db2.gz HXHSUBSIRFNVAC-WCQYABFASA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)s1)[C@H]1CCCOC1 ZINC000062232320 170163308 /nfs/dbraw/zinc/16/33/08/170163308.db2.gz HXHSUBSIRFNVAC-AAEUAGOBSA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@@H](c1sccc1C)[C@@H]1CCCOC1 ZINC000062234492 170149295 /nfs/dbraw/zinc/14/92/95/170149295.db2.gz FUAYJZLSFQDRPM-VXGBXAGGSA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@H](c1sccc1C)[C@@H]1CCCOC1 ZINC000062234494 170164693 /nfs/dbraw/zinc/16/46/93/170164693.db2.gz FUAYJZLSFQDRPM-NEPJUHHUSA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@@H](c1sccc1C)[C@H]1CCCOC1 ZINC000062234495 170149814 /nfs/dbraw/zinc/14/98/14/170149814.db2.gz FUAYJZLSFQDRPM-NWDGAFQWSA-N 1 0 239.384 3.134 10 0 BGAERO CC[NH2+][C@H](c1sccc1C)[C@H]1CCCOC1 ZINC000062234496 170165398 /nfs/dbraw/zinc/16/53/98/170165398.db2.gz FUAYJZLSFQDRPM-RYUDHWBXSA-N 1 0 239.384 3.134 10 0 BGAERO CCC[NH2+][C@H](C1=CCCCC1)[C@@H]1CCCOC1 ZINC000062234780 169288594 /nfs/dbraw/zinc/28/85/94/169288594.db2.gz CFBGTTXXEXGJCQ-HUUCEWRRSA-N 1 0 237.387 3.282 10 0 BGAERO CCC[NH2+][C@@H](C1=CCCCC1)[C@@H]1CCCOC1 ZINC000062234784 169276988 /nfs/dbraw/zinc/27/69/88/169276988.db2.gz CFBGTTXXEXGJCQ-CABCVRRESA-N 1 0 237.387 3.282 10 0 BGAERO CCC[NH2+][C@H](C1=CCCCC1)[C@H]1CCCOC1 ZINC000062234786 169288358 /nfs/dbraw/zinc/28/83/58/169288358.db2.gz CFBGTTXXEXGJCQ-LSDHHAIUSA-N 1 0 237.387 3.282 10 0 BGAERO CCC[NH2+][C@@H](C1=CCCCC1)[C@H]1CCCOC1 ZINC000062234789 169276891 /nfs/dbraw/zinc/27/68/91/169276891.db2.gz CFBGTTXXEXGJCQ-GJZGRUSLSA-N 1 0 237.387 3.282 10 0 BGAERO Clc1ccc2[nH]cc([C@@H]3CCC[NH2+]C3)c2c1 ZINC000062319086 385131786 /nfs/dbraw/zinc/13/17/86/385131786.db2.gz YPWPLCJWVTYMBN-SECBINFHSA-N 1 0 234.730 3.288 10 0 BGAERO Clc1ccc2[nH]cc([C@H]3CCC[NH2+]C3)c2c1 ZINC000062319087 180585291 /nfs/dbraw/zinc/58/52/91/180585291.db2.gz YPWPLCJWVTYMBN-VIFPVBQESA-N 1 0 234.730 3.288 10 0 BGAERO Clc1ccc2c(c1)[nH]cc2[C@@H]1CCC[NH2+]C1 ZINC000062319105 385131627 /nfs/dbraw/zinc/13/16/27/385131627.db2.gz NINJSWVEDSXNTA-SECBINFHSA-N 1 0 234.730 3.288 10 0 BGAERO Clc1ccc2c(c1)[nH]cc2[C@H]1CCC[NH2+]C1 ZINC000062319106 385131948 /nfs/dbraw/zinc/13/19/48/385131948.db2.gz NINJSWVEDSXNTA-VIFPVBQESA-N 1 0 234.730 3.288 10 0 BGAERO CCC(C)(C)[C@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062331992 168304382 /nfs/dbraw/zinc/30/43/82/168304382.db2.gz XTJIMHUZNYDKAA-CYBMUJFWSA-N 1 0 219.328 3.153 10 0 BGAERO CCC(C)(C)[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062331993 168303721 /nfs/dbraw/zinc/30/37/21/168303721.db2.gz XTJIMHUZNYDKAA-ZDUSSCGKSA-N 1 0 219.328 3.153 10 0 BGAERO CCC(CC)[C@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062332159 168406359 /nfs/dbraw/zinc/40/63/59/168406359.db2.gz ZUOGZQFHUHDKAA-AWEZNQCLSA-N 1 0 219.328 3.153 10 0 BGAERO CCC[C@@H](C)[C@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062332268 169373190 /nfs/dbraw/zinc/37/31/90/169373190.db2.gz FOFSOVDPLAZXPP-YGRLFVJLSA-N 1 0 219.328 3.153 10 0 BGAERO CCC[C@@H](C)[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062332272 169372155 /nfs/dbraw/zinc/37/21/55/169372155.db2.gz FOFSOVDPLAZXPP-QMTHXVAHSA-N 1 0 219.328 3.153 10 0 BGAERO CCC[C@H](C)[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062332274 169495117 /nfs/dbraw/zinc/49/51/17/169495117.db2.gz FOFSOVDPLAZXPP-IINYFYTJSA-N 1 0 219.328 3.153 10 0 BGAERO CC(C)(C)C[C@@H]([NH3+])c1ccc2c(c1)COC2 ZINC000062332497 166596320 /nfs/dbraw/zinc/59/63/20/166596320.db2.gz OHOSBSZZJCULDH-CYBMUJFWSA-N 1 0 219.328 3.153 10 0 BGAERO C[NH2+][C@H](c1ccc2c(c1)COC2)C(C)(C)C ZINC000062332921 173457461 /nfs/dbraw/zinc/45/74/61/173457461.db2.gz HMLSUQXSCOLFSX-CYBMUJFWSA-N 1 0 219.328 3.023 10 0 BGAERO C[NH2+][C@@H](CC(C)(C)C)c1ccc2c(c1)COC2 ZINC000062333158 173422024 /nfs/dbraw/zinc/42/20/24/173422024.db2.gz JPFGIQAQDPTJRZ-AWEZNQCLSA-N 1 0 233.355 3.414 10 0 BGAERO CC[C@H](C)[C@H]([NH2+]C)c1ccc2c(c1)COC2 ZINC000062333172 171398728 /nfs/dbraw/zinc/39/87/28/171398728.db2.gz RHSVFPKAYINVIX-HZMBPMFUSA-N 1 0 219.328 3.023 10 0 BGAERO CC[C@H](C)[C@@H]([NH2+]C)c1ccc2c(c1)COC2 ZINC000062333175 171374030 /nfs/dbraw/zinc/37/40/30/171374030.db2.gz RHSVFPKAYINVIX-IINYFYTJSA-N 1 0 219.328 3.023 10 0 BGAERO CC[NH2+][C@H](c1ccoc1)c1ccc2c(c1)COC2 ZINC000062333274 170165344 /nfs/dbraw/zinc/16/53/44/170165344.db2.gz KIQLRLWOILUNDR-HNNXBMFYSA-N 1 0 243.306 3.009 10 0 BGAERO CC[NH2+][C@@H](c1ccoc1)c1ccc2c(c1)COC2 ZINC000062333281 170149885 /nfs/dbraw/zinc/14/98/85/170149885.db2.gz KIQLRLWOILUNDR-OAHLLOKOSA-N 1 0 243.306 3.009 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)COC2)C1CCC1 ZINC000062333454 170148906 /nfs/dbraw/zinc/14/89/06/170148906.db2.gz LTFKPQRAJSHVIE-OAHLLOKOSA-N 1 0 231.339 3.168 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)COC2)C1CCC1 ZINC000062333456 170163970 /nfs/dbraw/zinc/16/39/70/170163970.db2.gz LTFKPQRAJSHVIE-HNNXBMFYSA-N 1 0 231.339 3.168 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)COC2)C(C)(C)C ZINC000062333472 170148700 /nfs/dbraw/zinc/14/87/00/170148700.db2.gz LAEIFMNKRZJVSF-AWEZNQCLSA-N 1 0 233.355 3.414 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)COC2)C(C)(C)C ZINC000062333474 170164380 /nfs/dbraw/zinc/16/43/80/170164380.db2.gz LAEIFMNKRZJVSF-CQSZACIVSA-N 1 0 233.355 3.414 10 0 BGAERO CC[NH2+][C@@H](c1ccc2c(c1)COC2)C(C)C ZINC000062333562 170148722 /nfs/dbraw/zinc/14/87/22/170148722.db2.gz TTZLRFVLWBDCCQ-CQSZACIVSA-N 1 0 219.328 3.023 10 0 BGAERO CC[NH2+][C@H](c1ccc2c(c1)COC2)C(C)C ZINC000062333563 170164336 /nfs/dbraw/zinc/16/43/36/170164336.db2.gz TTZLRFVLWBDCCQ-AWEZNQCLSA-N 1 0 219.328 3.023 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)COC2)[C@@H]1C[C@@H]1C ZINC000062333853 169280530 /nfs/dbraw/zinc/28/05/30/169280530.db2.gz UVNZVYCUHBZCBS-XZJROXQQSA-N 1 0 245.366 3.414 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)COC2)[C@@H]1C[C@@H]1C ZINC000062333855 169290704 /nfs/dbraw/zinc/29/07/04/169290704.db2.gz UVNZVYCUHBZCBS-IUIKQTSFSA-N 1 0 245.366 3.414 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)COC2)[C@H]1C[C@@H]1C ZINC000062333858 169280264 /nfs/dbraw/zinc/28/02/64/169280264.db2.gz UVNZVYCUHBZCBS-UVBJJODRSA-N 1 0 245.366 3.414 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)COC2)[C@H]1C[C@@H]1C ZINC000062333860 169290736 /nfs/dbraw/zinc/29/07/36/169290736.db2.gz UVNZVYCUHBZCBS-KNXALSJPSA-N 1 0 245.366 3.414 10 0 BGAERO CCC[NH2+][C@@H](c1ccc2c(c1)COC2)C1CC1 ZINC000062333992 169280407 /nfs/dbraw/zinc/28/04/07/169280407.db2.gz ZTVAIKQWTXADHA-OAHLLOKOSA-N 1 0 231.339 3.168 10 0 BGAERO CCC[NH2+][C@H](c1ccc2c(c1)COC2)C1CC1 ZINC000062333994 169290194 /nfs/dbraw/zinc/29/01/94/169290194.db2.gz ZTVAIKQWTXADHA-HNNXBMFYSA-N 1 0 231.339 3.168 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)COC3)cc1 ZINC000062334311 176775540 /nfs/dbraw/zinc/77/55/40/176775540.db2.gz IVCOHSDXWASPGN-NSHDSACASA-N 1 0 239.318 3.404 10 0 BGAERO Cc1ncc(COc2ccccc2[C@@H](C)[NH3+])s1 ZINC000062336562 180159453 /nfs/dbraw/zinc/15/94/53/180159453.db2.gz FATAULIMOWGOQK-SECBINFHSA-N 1 0 248.351 3.050 10 0 BGAERO Cc1ncc(CC(C)(C)C[NH2+]C(C)(C)C)s1 ZINC000062337643 180136461 /nfs/dbraw/zinc/13/64/61/180136461.db2.gz VBXFZVOGMRUUAT-UHFFFAOYSA-N 1 0 240.416 3.408 10 0 BGAERO C[NH2+]CC1(Cc2cnc(C)s2)CCCCC1 ZINC000062337683 173337858 /nfs/dbraw/zinc/33/78/58/173337858.db2.gz RLYJJVYDZAVYDX-UHFFFAOYSA-N 1 0 238.400 3.164 10 0 BGAERO CC[NH2+][C@@H](c1cscn1)c1sccc1C ZINC000062356771 170149496 /nfs/dbraw/zinc/14/94/96/170149496.db2.gz ZXXRDHPWCUXBOQ-JTQLQIEISA-N 1 0 238.381 3.212 10 0 BGAERO CC[NH2+][C@H](c1cscn1)c1sccc1C ZINC000062356775 170165131 /nfs/dbraw/zinc/16/51/31/170165131.db2.gz ZXXRDHPWCUXBOQ-SNVBAGLBSA-N 1 0 238.381 3.212 10 0 BGAERO CC[NH2+][C@@H](C)c1nc2ccccc2n1C(C)(C)C ZINC000062365998 170143222 /nfs/dbraw/zinc/14/32/22/170143222.db2.gz ZUFZPALAMVIKEB-NSHDSACASA-N 1 0 245.370 3.462 10 0 BGAERO CC[NH2+][C@H](C)c1nc2ccccc2n1C(C)(C)C ZINC000062366002 170160163 /nfs/dbraw/zinc/16/01/63/170160163.db2.gz ZUFZPALAMVIKEB-LLVKDONJSA-N 1 0 245.370 3.462 10 0 BGAERO CC[NH2+][C@@H](C)c1nc2cc(F)ccc2n1C(C)C ZINC000062366212 170142829 /nfs/dbraw/zinc/14/28/29/170142829.db2.gz BYBDYQXRXWIGKN-JTQLQIEISA-N 1 0 249.333 3.427 10 0 BGAERO CC[NH2+][C@H](C)c1nc2cc(F)ccc2n1C(C)C ZINC000062366215 170160451 /nfs/dbraw/zinc/16/04/51/170160451.db2.gz BYBDYQXRXWIGKN-SNVBAGLBSA-N 1 0 249.333 3.427 10 0 BGAERO CCC[NH2+][C@@H](C)c1nc2ccc(F)cc2n1CC ZINC000062366622 169277148 /nfs/dbraw/zinc/27/71/48/169277148.db2.gz WXBICTGPLFMAFR-JTQLQIEISA-N 1 0 249.333 3.256 10 0 BGAERO CCC[NH2+][C@H](C)c1nc2ccc(F)cc2n1CC ZINC000062366626 169288526 /nfs/dbraw/zinc/28/85/26/169288526.db2.gz WXBICTGPLFMAFR-SNVBAGLBSA-N 1 0 249.333 3.256 10 0 BGAERO [NH3+][C@H]1C[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000062495155 181659102 /nfs/dbraw/zinc/65/91/02/181659102.db2.gz KJHSXOXZHVTSOS-CVEARBPZSA-N 1 0 239.318 3.080 10 0 BGAERO [NH3+][C@@H]1C[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000062495156 181600493 /nfs/dbraw/zinc/60/04/93/181600493.db2.gz KJHSXOXZHVTSOS-JKSUJKDBSA-N 1 0 239.318 3.080 10 0 BGAERO [NH3+][C@@H]1C[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000062495157 181598929 /nfs/dbraw/zinc/59/89/29/181598929.db2.gz KJHSXOXZHVTSOS-HZPDHXFCSA-N 1 0 239.318 3.080 10 0 BGAERO CCCCc1ccc2oc(CCC[NH3+])nc2c1 ZINC000062530734 169025007 /nfs/dbraw/zinc/02/50/07/169025007.db2.gz ACKDHDOUVWTLIC-UHFFFAOYSA-N 1 0 232.327 3.062 10 0 BGAERO COc1cc(C)c(CCCC[NH3+])cc1C(C)C ZINC000062532254 174957662 /nfs/dbraw/zinc/95/76/62/174957662.db2.gz PLZCZFUGIQFTOV-UHFFFAOYSA-N 1 0 235.371 3.408 10 0 BGAERO Cc1cc(Cl)cc2nc([C@@H]3CCC[NH2+]3)oc21 ZINC000062532340 178065079 /nfs/dbraw/zinc/06/50/79/178065079.db2.gz QLKWLONHBIOYRR-VIFPVBQESA-N 1 0 236.702 3.214 10 0 BGAERO Cc1cc(Cl)cc2nc([C@H]3CCC[NH2+]3)oc21 ZINC000062532343 178065231 /nfs/dbraw/zinc/06/52/31/178065231.db2.gz QLKWLONHBIOYRR-SECBINFHSA-N 1 0 236.702 3.214 10 0 BGAERO [NH3+]CC[C@H]1CCCC[C@H]1c1ccccc1 ZINC000062569012 181409376 /nfs/dbraw/zinc/40/93/76/181409376.db2.gz RQLGEDBTTPDHCP-KGLIPLIRSA-N 1 0 203.329 3.309 10 0 BGAERO [NH3+]CC[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000062569017 518197361 /nfs/dbraw/zinc/19/73/61/518197361.db2.gz RQLGEDBTTPDHCP-KBPBESRZSA-N 1 0 203.329 3.309 10 0 BGAERO C[C@@H]([NH3+])[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000062569022 175812048 /nfs/dbraw/zinc/81/20/48/175812048.db2.gz IBERNQCMWHGOGF-KWCYVHTRSA-N 1 0 203.329 3.308 10 0 BGAERO C[C@@H]([NH3+])[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000062569025 175814360 /nfs/dbraw/zinc/81/43/60/175814360.db2.gz IBERNQCMWHGOGF-MRVWCRGKSA-N 1 0 203.329 3.308 10 0 BGAERO Cc1ccccc1[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000062569027 179328879 /nfs/dbraw/zinc/32/88/79/179328879.db2.gz NFLWRTUQEHQJKZ-TZMCWYRMSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1ccccc1[C@H]1CCCC[C@@H]1C[NH3+] ZINC000062569029 179347753 /nfs/dbraw/zinc/34/77/53/179347753.db2.gz NFLWRTUQEHQJKZ-OCCSQVGLSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1ccccc1[C@@H]1CCCC[C@H]1C[NH3+] ZINC000062569031 179328528 /nfs/dbraw/zinc/32/85/28/179328528.db2.gz NFLWRTUQEHQJKZ-GXTWGEPZSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1ccccc1[C@H]1CCCC[C@H]1C[NH3+] ZINC000062569033 179346822 /nfs/dbraw/zinc/34/68/22/179346822.db2.gz NFLWRTUQEHQJKZ-JSGCOSHPSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1cccc([C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000062569035 179190197 /nfs/dbraw/zinc/19/01/97/179190197.db2.gz YZHGIPSNRWEJCX-KGLIPLIRSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1cccc([C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000062569037 179203090 /nfs/dbraw/zinc/20/30/90/179203090.db2.gz YZHGIPSNRWEJCX-ZIAGYGMSSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1cccc([C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000062569038 179190233 /nfs/dbraw/zinc/19/02/33/179190233.db2.gz YZHGIPSNRWEJCX-KBPBESRZSA-N 1 0 203.329 3.228 10 0 BGAERO Cc1cccc([C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000062569040 179203791 /nfs/dbraw/zinc/20/37/91/179203791.db2.gz YZHGIPSNRWEJCX-UONOGXRCSA-N 1 0 203.329 3.228 10 0 BGAERO [NH3+]C[C@H]1CCCC[C@H]1c1ccc(F)cc1 ZINC000062569858 181459220 /nfs/dbraw/zinc/45/92/20/181459220.db2.gz QOSONTLSIWYIPV-YPMHNXCESA-N 1 0 207.292 3.058 10 0 BGAERO [NH3+]C[C@@H]1CCCC[C@H]1c1ccc(F)cc1 ZINC000062569864 181428758 /nfs/dbraw/zinc/42/87/58/181428758.db2.gz QOSONTLSIWYIPV-AAEUAGOBSA-N 1 0 207.292 3.058 10 0 BGAERO [NH3+]C[C@H]1CCCCC[C@@H]1c1cccs1 ZINC000062570179 181457235 /nfs/dbraw/zinc/45/72/35/181457235.db2.gz ZJDGCQGYWUPYED-MNOVXSKESA-N 1 0 209.358 3.371 10 0 BGAERO [NH3+]CC[C@H]1CCCC[C@H]1c1cccs1 ZINC000062570184 181409497 /nfs/dbraw/zinc/40/94/97/181409497.db2.gz MDDUKXFZNGETFK-GHMZBOCLSA-N 1 0 209.358 3.371 10 0 BGAERO [NH3+]Cc1csc(-c2cccc(Cl)c2F)n1 ZINC000062606517 181496107 /nfs/dbraw/zinc/49/61/07/181496107.db2.gz GBIZPYVHXSCORY-UHFFFAOYSA-N 1 0 242.706 3.061 10 0 BGAERO [NH3+]C1(c2ccc(F)cc2Cl)CCCC1 ZINC000062607055 346290539 /nfs/dbraw/zinc/29/05/39/346290539.db2.gz ZFMZLIUOXOSUOA-UHFFFAOYSA-N 1 0 213.683 3.207 10 0 BGAERO CCC([NH3+])(CC)c1ccc(F)cc1Cl ZINC000062607060 346290829 /nfs/dbraw/zinc/29/08/29/346290829.db2.gz CXEOOTTYVDRTBO-UHFFFAOYSA-N 1 0 215.699 3.453 10 0 BGAERO [NH3+]C[C@H]1CCCCC[C@H]1c1ccc(F)cc1 ZINC000062610761 181457195 /nfs/dbraw/zinc/45/71/95/181457195.db2.gz TYYOQTKOUJRBFE-OCCSQVGLSA-N 1 0 221.319 3.448 10 0 BGAERO [NH3+]C[C@H]1CCCCC[C@@H]1c1ccc(F)cc1 ZINC000062610764 181457431 /nfs/dbraw/zinc/45/74/31/181457431.db2.gz TYYOQTKOUJRBFE-TZMCWYRMSA-N 1 0 221.319 3.448 10 0 BGAERO [NH3+]C[C@@H]1CCCCC[C@H]1c1ccc(F)cc1 ZINC000062610766 181427029 /nfs/dbraw/zinc/42/70/29/181427029.db2.gz TYYOQTKOUJRBFE-JSGCOSHPSA-N 1 0 221.319 3.448 10 0 BGAERO [NH3+]C[C@H]1CCCCC[C@@H]1c1ccccc1F ZINC000062610774 181456794 /nfs/dbraw/zinc/45/67/94/181456794.db2.gz QWZRXRPJWJLMMG-NEPJUHHUSA-N 1 0 221.319 3.448 10 0 BGAERO [NH3+]C[C@@H]1CCCCC[C@@H]1c1ccccc1F ZINC000062610782 181426556 /nfs/dbraw/zinc/42/65/56/181426556.db2.gz QWZRXRPJWJLMMG-RYUDHWBXSA-N 1 0 221.319 3.448 10 0 BGAERO CC(C)[NH2+][C@@H]1CCCOc2c(F)c(F)ccc21 ZINC000062611280 167133915 /nfs/dbraw/zinc/13/39/15/167133915.db2.gz MGJVGNTXSMEKCN-LLVKDONJSA-N 1 0 241.281 3.177 10 0 BGAERO CC(C)[NH2+][C@H]1CCCOc2c(F)c(F)ccc21 ZINC000062611285 167140620 /nfs/dbraw/zinc/14/06/20/167140620.db2.gz MGJVGNTXSMEKCN-NSHDSACASA-N 1 0 241.281 3.177 10 0 BGAERO C[C@@H]([NH3+])[C@H](Oc1cccc(F)c1F)C(C)(C)C ZINC000062612610 175812658 /nfs/dbraw/zinc/81/26/58/175812658.db2.gz NDQDYLWKOWLRIQ-PELKAZGASA-N 1 0 243.297 3.106 10 0 BGAERO C[C@H]([NH3+])[C@@H](Oc1cccc(F)c1F)C(C)(C)C ZINC000062612614 176765207 /nfs/dbraw/zinc/76/52/07/176765207.db2.gz NDQDYLWKOWLRIQ-QPUJVOFHSA-N 1 0 243.297 3.106 10 0 BGAERO C[C@@H]([NH3+])[C@@H](Oc1cccc(F)c1F)C(C)(C)C ZINC000062612616 175809413 /nfs/dbraw/zinc/80/94/13/175809413.db2.gz NDQDYLWKOWLRIQ-PRHODGIISA-N 1 0 243.297 3.106 10 0 BGAERO [NH3+]Cc1ccc2c(Cl)ccc(Cl)c2n1 ZINC000062612994 181486941 /nfs/dbraw/zinc/48/69/41/181486941.db2.gz LCVZABCRWVSYTO-UHFFFAOYSA-N 1 0 227.094 3.000 10 0 BGAERO [NH3+]Cc1ccc2c(Cl)cc(Cl)cc2n1 ZINC000062612998 385247055 /nfs/dbraw/zinc/24/70/55/385247055.db2.gz ZNOLXEVXAKWKAE-UHFFFAOYSA-N 1 0 227.094 3.000 10 0 BGAERO [NH3+]Cc1ccc2ccc(Cl)c(Cl)c2n1 ZINC000062613002 385248513 /nfs/dbraw/zinc/24/85/13/385248513.db2.gz TUTSHPNFRMJVLE-UHFFFAOYSA-N 1 0 227.094 3.000 10 0 BGAERO [NH3+]Cc1ccc2cc(Cl)cc(Cl)c2n1 ZINC000062613008 385245943 /nfs/dbraw/zinc/24/59/43/385245943.db2.gz WQKONYVWSUMKDS-UHFFFAOYSA-N 1 0 227.094 3.000 10 0 BGAERO [NH3+][C@H]1CCCCC[C@H]1Oc1cccc(F)c1F ZINC000062614421 181640381 /nfs/dbraw/zinc/64/03/81/181640381.db2.gz FAAHGEIDFWVDTI-WDEREUQCSA-N 1 0 241.281 3.004 10 0 BGAERO CCC[NH2+][C@@H](C)[C@@H](C)Oc1cccc(F)c1F ZINC000062614553 169276401 /nfs/dbraw/zinc/27/64/01/169276401.db2.gz QRIIWKFORNMFAR-VHSXEESVSA-N 1 0 243.297 3.120 10 0 BGAERO CCC[NH2+][C@H](C)[C@@H](C)Oc1cccc(F)c1F ZINC000062614556 169285729 /nfs/dbraw/zinc/28/57/29/169285729.db2.gz QRIIWKFORNMFAR-NXEZZACHSA-N 1 0 243.297 3.120 10 0 BGAERO CCC[NH2+][C@@H](C)[C@H](C)Oc1cccc(F)c1F ZINC000062614557 169276127 /nfs/dbraw/zinc/27/61/27/169276127.db2.gz QRIIWKFORNMFAR-UWVGGRQHSA-N 1 0 243.297 3.120 10 0 BGAERO CCC[NH2+][C@H](C)[C@H](C)Oc1cccc(F)c1F ZINC000062614561 169285805 /nfs/dbraw/zinc/28/58/05/169285805.db2.gz QRIIWKFORNMFAR-ZJUUUORDSA-N 1 0 243.297 3.120 10 0 BGAERO CCCCCCN1CC[NH2+]Cc2ccccc21 ZINC000062615891 168661793 /nfs/dbraw/zinc/66/17/93/168661793.db2.gz LHUZKMMSTDDTQK-UHFFFAOYSA-N 1 0 232.371 3.177 10 0 BGAERO CC(C)CN1CC(C)(C)[NH2+]Cc2ccccc21 ZINC000062615899 166965430 /nfs/dbraw/zinc/96/54/30/166965430.db2.gz TVPXKAFIONAGGI-UHFFFAOYSA-N 1 0 232.371 3.031 10 0 BGAERO CCCCN1CC(C)(C)[NH2+]Cc2ccccc21 ZINC000062615902 168826993 /nfs/dbraw/zinc/82/69/93/168826993.db2.gz SRTMOZFJIYGRDT-UHFFFAOYSA-N 1 0 232.371 3.175 10 0 BGAERO CC[C@H](C)N1CC(C)(C)[NH2+]Cc2ccccc21 ZINC000062615906 171317636 /nfs/dbraw/zinc/31/76/36/171317636.db2.gz FAIZYOFUZXEYLL-LBPRGKRZSA-N 1 0 232.371 3.173 10 0 BGAERO CCCN1C[C@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062615911 169209746 /nfs/dbraw/zinc/20/97/46/169209746.db2.gz KCYBRNHFBJHHDY-CQSZACIVSA-N 1 0 232.371 3.031 10 0 BGAERO CCCN1C[C@@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062615912 169210222 /nfs/dbraw/zinc/21/02/22/169210222.db2.gz KCYBRNHFBJHHDY-AWEZNQCLSA-N 1 0 232.371 3.031 10 0 BGAERO COc1ccc([C@@H]2CCCCC[C@@H]2C[NH3+])cc1 ZINC000062616593 175182317 /nfs/dbraw/zinc/18/23/17/175182317.db2.gz XHJMDANFPOIUNA-HIFRSBDPSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccc([C@H]2CCCCC[C@@H]2C[NH3+])cc1 ZINC000062616596 175194627 /nfs/dbraw/zinc/19/46/27/175194627.db2.gz XHJMDANFPOIUNA-UKRRQHHQSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccc([C@@H]2CCCCC[C@H]2C[NH3+])cc1 ZINC000062616599 175181606 /nfs/dbraw/zinc/18/16/06/175181606.db2.gz XHJMDANFPOIUNA-ZFWWWQNUSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccc([C@H]2CCCCC[C@H]2C[NH3+])cc1 ZINC000062616601 175194499 /nfs/dbraw/zinc/19/44/99/175194499.db2.gz XHJMDANFPOIUNA-DZGCQCFKSA-N 1 0 233.355 3.318 10 0 BGAERO COc1cccc([C@@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000062616625 175289724 /nfs/dbraw/zinc/28/97/24/175289724.db2.gz AOIYPVDGLZEUIL-HIFRSBDPSA-N 1 0 233.355 3.318 10 0 BGAERO COc1cccc([C@H]2CCCCC[C@@H]2C[NH3+])c1 ZINC000062616626 175296022 /nfs/dbraw/zinc/29/60/22/175296022.db2.gz AOIYPVDGLZEUIL-UKRRQHHQSA-N 1 0 233.355 3.318 10 0 BGAERO COc1cccc([C@@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000062616630 175290029 /nfs/dbraw/zinc/29/00/29/175290029.db2.gz AOIYPVDGLZEUIL-ZFWWWQNUSA-N 1 0 233.355 3.318 10 0 BGAERO COc1cccc([C@H]2CCCCC[C@H]2C[NH3+])c1 ZINC000062616631 175295855 /nfs/dbraw/zinc/29/58/55/175295855.db2.gz AOIYPVDGLZEUIL-DZGCQCFKSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccccc1[C@@H]1CCCCC[C@@H]1C[NH3+] ZINC000062616634 175348827 /nfs/dbraw/zinc/34/88/27/175348827.db2.gz QJHVFDLKSUJSKL-CHWSQXEVSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccccc1[C@H]1CCCCC[C@@H]1C[NH3+] ZINC000062616638 175354150 /nfs/dbraw/zinc/35/41/50/175354150.db2.gz QJHVFDLKSUJSKL-OLZOCXBDSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccccc1[C@@H]1CCCCC[C@H]1C[NH3+] ZINC000062616641 175348468 /nfs/dbraw/zinc/34/84/68/175348468.db2.gz QJHVFDLKSUJSKL-QWHCGFSZSA-N 1 0 233.355 3.318 10 0 BGAERO COc1ccccc1[C@H]1CCCCC[C@H]1C[NH3+] ZINC000062616643 175353982 /nfs/dbraw/zinc/35/39/82/175353982.db2.gz QJHVFDLKSUJSKL-STQMWFEESA-N 1 0 233.355 3.318 10 0 BGAERO CC[C@H](C)[N@@H+]1C[C@H](C(C)C)NC[C@@H]1CC(C)C ZINC000062620111 171320651 /nfs/dbraw/zinc/32/06/51/171320651.db2.gz OIDMLLPZRQAUAB-SOUVJXGZSA-N 1 0 240.435 3.129 10 0 BGAERO CCC[N@@H+]1C[C@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062620114 169210352 /nfs/dbraw/zinc/21/03/52/169210352.db2.gz IYAITRBSMOZJHK-GJZGRUSLSA-N 1 0 240.435 3.131 10 0 BGAERO CCC[N@@H+]1C[C@@H](CC(C)C)NC[C@@H]1CC(C)C ZINC000062620118 169209643 /nfs/dbraw/zinc/20/96/43/169209643.db2.gz IYAITRBSMOZJHK-CABCVRRESA-N 1 0 240.435 3.131 10 0 BGAERO C[C@@H]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)C1 ZINC000062621485 176141393 /nfs/dbraw/zinc/14/13/93/176141393.db2.gz MLBRAIBRXOGKRT-HIFRSBDPSA-N 1 0 244.382 3.175 10 0 BGAERO C[C@H]1CCC[C@H](N2CC[NH2+]Cc3ccccc32)C1 ZINC000062621487 177135313 /nfs/dbraw/zinc/13/53/13/177135313.db2.gz MLBRAIBRXOGKRT-ZFWWWQNUSA-N 1 0 244.382 3.175 10 0 BGAERO C[C@@H]1CCC[C@@H](N2CC[NH2+]Cc3ccccc32)C1 ZINC000062621488 176120273 /nfs/dbraw/zinc/12/02/73/176120273.db2.gz MLBRAIBRXOGKRT-UKRRQHHQSA-N 1 0 244.382 3.175 10 0 BGAERO C[C@H]1CCC[C@@H](N2CC[NH2+]Cc3ccccc32)C1 ZINC000062621489 177121558 /nfs/dbraw/zinc/12/15/58/177121558.db2.gz MLBRAIBRXOGKRT-DZGCQCFKSA-N 1 0 244.382 3.175 10 0 BGAERO C[C@@H]1CN(C2CCCCC2)c2ccccc2C[NH2+]1 ZINC000062621490 176284032 /nfs/dbraw/zinc/28/40/32/176284032.db2.gz QAHNPFVUKGFIPV-CYBMUJFWSA-N 1 0 244.382 3.317 10 0 BGAERO C[C@H]1CN(C2CCCCC2)c2ccccc2C[NH2+]1 ZINC000062621492 177242103 /nfs/dbraw/zinc/24/21/03/177242103.db2.gz QAHNPFVUKGFIPV-ZDUSSCGKSA-N 1 0 244.382 3.317 10 0 BGAERO CC(C)C[N@@H+]1CC(C)(C)NC[C@@H]1c1ccccc1 ZINC000062622308 166966771 /nfs/dbraw/zinc/96/67/71/166966771.db2.gz SQWVPZJVXUUYIR-OAHLLOKOSA-N 1 0 246.398 3.068 10 0 BGAERO CC[C@H](C)[N@@H+]1CC(C)(C)NC[C@@H]1c1ccccc1 ZINC000062622317 171317827 /nfs/dbraw/zinc/31/78/27/171317827.db2.gz GYDPIBWXYZMSGV-DZGCQCFKSA-N 1 0 246.398 3.210 10 0 BGAERO CCC[N@@H+]1C[C@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062622324 169210215 /nfs/dbraw/zinc/21/02/15/169210215.db2.gz MBBOOYAGGSTSDR-HZPDHXFCSA-N 1 0 246.398 3.068 10 0 BGAERO CCC[N@@H+]1C[C@@H](C(C)C)NC[C@@H]1c1ccccc1 ZINC000062622325 169210649 /nfs/dbraw/zinc/21/06/49/169210649.db2.gz MBBOOYAGGSTSDR-JKSUJKDBSA-N 1 0 246.398 3.068 10 0 BGAERO CCN1C[C@H](CC(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062622332 170039463 /nfs/dbraw/zinc/03/94/63/170039463.db2.gz RCFZRKYEDYTMQV-JKSUJKDBSA-N 1 0 246.398 3.068 10 0 BGAERO CCN1C[C@@H](CC(C)C)[NH2+]C[C@@H]1c1ccccc1 ZINC000062622334 170029078 /nfs/dbraw/zinc/02/90/78/170029078.db2.gz RCFZRKYEDYTMQV-HZPDHXFCSA-N 1 0 246.398 3.068 10 0 BGAERO CCCCC[N@@H+]1CCCN[C@H](c2ccccc2)C1 ZINC000062622407 168697506 /nfs/dbraw/zinc/69/75/06/168697506.db2.gz AHMKSZYJOUHAKP-INIZCTEOSA-N 1 0 246.398 3.213 10 0 BGAERO CC[C@H](C)N1C[C@H](C(C)C)[NH2+]Cc2ccccc21 ZINC000062622431 171320489 /nfs/dbraw/zinc/32/04/89/171320489.db2.gz NIJJUWDVXQIZHA-DZGCQCFKSA-N 1 0 246.398 3.419 10 0 BGAERO CCC[NH2+]CC(C)(C)Oc1cccc(F)c1F ZINC000062654251 169257719 /nfs/dbraw/zinc/25/77/19/169257719.db2.gz HDICQKTXOXFIPY-UHFFFAOYSA-N 1 0 243.297 3.122 10 0 BGAERO CC[C@H](C[NH2+]C(C)C)Oc1cccc(F)c1F ZINC000062654694 171437023 /nfs/dbraw/zinc/43/70/23/171437023.db2.gz NOPFZGHZMQXOHA-SNVBAGLBSA-N 1 0 243.297 3.120 10 0 BGAERO CC[C@@H](C)[NH2+]C[C@@H](C)Oc1cccc(F)c1F ZINC000062654922 170752349 /nfs/dbraw/zinc/75/23/49/170752349.db2.gz GBNNELWCTNAVIZ-NXEZZACHSA-N 1 0 243.297 3.120 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](C)Oc1cccc(F)c1F ZINC000062654933 171341274 /nfs/dbraw/zinc/34/12/74/171341274.db2.gz GBNNELWCTNAVIZ-VHSXEESVSA-N 1 0 243.297 3.120 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](C)Oc1cccc(F)c1F ZINC000062654937 171342189 /nfs/dbraw/zinc/34/21/89/171342189.db2.gz GBNNELWCTNAVIZ-UWVGGRQHSA-N 1 0 243.297 3.120 10 0 BGAERO CCCC[NH2+]C[C@H](C)Oc1cccc(F)c1F ZINC000062654953 168868327 /nfs/dbraw/zinc/86/83/27/168868327.db2.gz NVDCYJCRJVSOOZ-JTQLQIEISA-N 1 0 243.297 3.122 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062706174 167382292 /nfs/dbraw/zinc/38/22/92/167382292.db2.gz PXWRIBWSYDVDTN-MRVPVSSYSA-N 1 0 231.261 3.238 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000062706177 323180074 /nfs/dbraw/zinc/18/00/74/323180074.db2.gz PXWRIBWSYDVDTN-QMMMGPOBSA-N 1 0 231.261 3.238 10 0 BGAERO CC(C)C[C@H]1[NH2+]CCc2cc(F)c(F)c(F)c21 ZINC000062707541 188303655 /nfs/dbraw/zinc/30/36/55/188303655.db2.gz QNZPJFNDLYSDAA-SNVBAGLBSA-N 1 0 243.272 3.337 10 0 BGAERO CC(C)C[C@@H]1[NH2+]CCc2cc(F)c(F)c(F)c21 ZINC000062707543 188487201 /nfs/dbraw/zinc/48/72/01/188487201.db2.gz QNZPJFNDLYSDAA-JTQLQIEISA-N 1 0 243.272 3.337 10 0 BGAERO CN(c1ccccc1)c1c(F)cc(C[NH3+])cc1F ZINC000062709084 172950598 /nfs/dbraw/zinc/95/05/98/172950598.db2.gz IQKVMNFIDCZBMV-UHFFFAOYSA-N 1 0 248.276 3.191 10 0 BGAERO Cc1ccc2c(c1)[C@H](c1ccccc1)C[NH2+]C2 ZINC000062709525 178957065 /nfs/dbraw/zinc/95/70/65/178957065.db2.gz PORBYICOSCAUDD-INIZCTEOSA-N 1 0 223.319 3.230 10 0 BGAERO Cc1ccc2c(c1)[C@@H](c1ccccc1)C[NH2+]C2 ZINC000062709528 178952147 /nfs/dbraw/zinc/95/21/47/178952147.db2.gz PORBYICOSCAUDD-MRXNPFEDSA-N 1 0 223.319 3.230 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062721019 169262011 /nfs/dbraw/zinc/26/20/11/169262011.db2.gz PYGLRFLWQCEGCZ-VHSXEESVSA-N 1 0 243.272 3.207 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000062721020 169265034 /nfs/dbraw/zinc/26/50/34/169265034.db2.gz PYGLRFLWQCEGCZ-NXEZZACHSA-N 1 0 243.272 3.207 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062721021 169263770 /nfs/dbraw/zinc/26/37/70/169263770.db2.gz PYGLRFLWQCEGCZ-UWVGGRQHSA-N 1 0 243.272 3.207 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@H]1c1cc(F)c(F)c(F)c1 ZINC000062721022 169264399 /nfs/dbraw/zinc/26/43/99/169264399.db2.gz PYGLRFLWQCEGCZ-ZJUUUORDSA-N 1 0 243.272 3.207 10 0 BGAERO Nc1ccc(Cl)cc1C(=[NH2+])c1ccccc1 ZINC000062722231 181206592 /nfs/dbraw/zinc/20/65/92/181206592.db2.gz QNIUWWCDBYUWGZ-UHFFFAOYSA-N 1 0 230.698 3.338 10 0 BGAERO C/C=C/COc1ccc(C[NH2+]CC(C)C)cc1 ZINC000062728940 187784573 /nfs/dbraw/zinc/78/45/73/187784573.db2.gz QSHPCOFORJALQZ-SNAWJCMRSA-N 1 0 233.355 3.387 10 0 BGAERO CC(C)C[NH2+]Cc1cccc(OCC2CC2)c1 ZINC000062731469 167010659 /nfs/dbraw/zinc/01/06/59/167010659.db2.gz IEGPVHKZTMKMNX-UHFFFAOYSA-N 1 0 233.355 3.221 10 0 BGAERO CC(C)C[NH2+]Cc1ccccc1N(C)C1CC1 ZINC000062735142 167010245 /nfs/dbraw/zinc/01/02/45/167010245.db2.gz JUPBOXYUHXRIRB-UHFFFAOYSA-N 1 0 232.371 3.031 10 0 BGAERO CC(C)C[NH2+]Cc1ccccc1N1CC[C@@H](C)C1 ZINC000062736683 167009740 /nfs/dbraw/zinc/00/97/40/167009740.db2.gz DOLFIXUIOYCNBA-CQSZACIVSA-N 1 0 246.398 3.278 10 0 BGAERO CC(C)C[NH2+]Cc1ccccc1N1CC[C@H](C)C1 ZINC000062736684 167009684 /nfs/dbraw/zinc/00/96/84/167009684.db2.gz DOLFIXUIOYCNBA-AWEZNQCLSA-N 1 0 246.398 3.278 10 0 BGAERO Cc1ccn(-c2ccccc2C[NH2+]C(C)(C)C)n1 ZINC000062738948 179399673 /nfs/dbraw/zinc/39/96/73/179399673.db2.gz XLOPNGOWMDEVLJ-UHFFFAOYSA-N 1 0 243.354 3.069 10 0 BGAERO CCCCCC[C@@H](C)OCC[C@H](C[NH3+])OCC ZINC000062741679 168674363 /nfs/dbraw/zinc/67/43/63/168674363.db2.gz QDBXNSJEQZRVJG-ZIAGYGMSSA-N 1 0 245.407 3.116 10 0 BGAERO CC[C@H](C)Oc1cc(F)ccc1[C@@H](C)[NH3+] ZINC000062745647 171356553 /nfs/dbraw/zinc/35/65/53/171356553.db2.gz MIMFVDHVLGBNDI-DTWKUNHWSA-N 1 0 211.280 3.023 10 0 BGAERO CC[C@H](C)Oc1cc(F)ccc1[C@H](C)[NH3+] ZINC000062745649 171356030 /nfs/dbraw/zinc/35/60/30/171356030.db2.gz MIMFVDHVLGBNDI-IUCAKERBSA-N 1 0 211.280 3.023 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(F)cc1OC1CCCC1 ZINC000062746642 173419004 /nfs/dbraw/zinc/41/90/04/173419004.db2.gz KGDAOZCSPYQOPR-JTQLQIEISA-N 1 0 237.318 3.428 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC1CC1 ZINC000062747058 170141837 /nfs/dbraw/zinc/14/18/37/170141837.db2.gz FTVDEUFDDNTZKQ-JTQLQIEISA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCC1CC1 ZINC000062747059 170159587 /nfs/dbraw/zinc/15/95/87/170159587.db2.gz FTVDEUFDDNTZKQ-SNVBAGLBSA-N 1 0 237.318 3.285 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(F)cc1OCC(F)F ZINC000062747124 170142256 /nfs/dbraw/zinc/14/22/56/170142256.db2.gz RIOUWFBPGGBJOG-QMMMGPOBSA-N 1 0 247.260 3.140 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(F)cc1OCC(F)F ZINC000062747125 170159567 /nfs/dbraw/zinc/15/95/67/170159567.db2.gz RIOUWFBPGGBJOG-MRVPVSSYSA-N 1 0 247.260 3.140 10 0 BGAERO C[NH2+][C@@H](C)Cc1ccc(-c2ccccc2F)o1 ZINC000062770324 173416006 /nfs/dbraw/zinc/41/60/06/173416006.db2.gz DTDYLDCXCQODFM-JTQLQIEISA-N 1 0 233.286 3.236 10 0 BGAERO C[NH2+][C@H](C)Cc1ccc(-c2ccccc2F)o1 ZINC000062770325 173447067 /nfs/dbraw/zinc/44/70/67/173447067.db2.gz DTDYLDCXCQODFM-SNVBAGLBSA-N 1 0 233.286 3.236 10 0 BGAERO CCc1ccc(-c2ccc(C[C@@H](C)[NH3+])o2)cc1 ZINC000062770352 171778706 /nfs/dbraw/zinc/77/87/06/171778706.db2.gz XJOBCGSJKVTYFW-LLVKDONJSA-N 1 0 229.323 3.399 10 0 BGAERO Cc1ccc(-c2ccc(C[C@@H](C)[NH3+])o2)c(C)c1 ZINC000062770460 178324669 /nfs/dbraw/zinc/32/46/69/178324669.db2.gz WOJYFZHTUIZSOT-GFCCVEGCSA-N 1 0 229.323 3.453 10 0 BGAERO Cc1ccc(-c2ccc(C[C@H](C)[NH3+])o2)c(C)c1 ZINC000062770461 178324266 /nfs/dbraw/zinc/32/42/66/178324266.db2.gz WOJYFZHTUIZSOT-LBPRGKRZSA-N 1 0 229.323 3.453 10 0 BGAERO C[C@H](Cc1ccco1)[NH2+][C@@H](C)Cc1ccco1 ZINC000062770527 175774967 /nfs/dbraw/zinc/77/49/67/175774967.db2.gz OZEGOUKUMCTCDA-TXEJJXNPSA-N 1 0 233.311 3.024 10 0 BGAERO C[C@@H](Cc1ccco1)[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000062772047 175774578 /nfs/dbraw/zinc/77/45/78/175774578.db2.gz RRMUFGSZEPIRLD-MAZHCROVSA-N 1 0 241.334 3.356 10 0 BGAERO Clc1ccc(C[C@@H]2CCCC[NH2+]2)s1 ZINC000062772352 385413877 /nfs/dbraw/zinc/41/38/77/385413877.db2.gz FHFJCMBDSDOGAY-QMMMGPOBSA-N 1 0 215.749 3.086 10 0 BGAERO Clc1ccc(C[C@H]2CCCC[NH2+]2)s1 ZINC000062772353 385413334 /nfs/dbraw/zinc/41/33/34/385413334.db2.gz FHFJCMBDSDOGAY-MRVPVSSYSA-N 1 0 215.749 3.086 10 0 BGAERO c1cc2cnccc2c([C@@H]2CCCC[NH2+]2)c1 ZINC000062772394 346963680 /nfs/dbraw/zinc/96/36/80/346963680.db2.gz WDISRZFQPCFHRL-AWEZNQCLSA-N 1 0 212.296 3.049 10 0 BGAERO c1cc2cnccc2c([C@H]2CCCC[NH2+]2)c1 ZINC000062772395 346963805 /nfs/dbraw/zinc/96/38/05/346963805.db2.gz WDISRZFQPCFHRL-CQSZACIVSA-N 1 0 212.296 3.049 10 0 BGAERO FC(F)(F)Oc1ccccc1[C@@H]1CCCC[NH2+]1 ZINC000062772396 346963825 /nfs/dbraw/zinc/96/38/25/346963825.db2.gz WMXQSISKLNLEKA-JTQLQIEISA-N 1 0 245.244 3.400 10 0 BGAERO FC(F)(F)Oc1ccccc1[C@H]1CCCC[NH2+]1 ZINC000062772397 346963847 /nfs/dbraw/zinc/96/38/47/346963847.db2.gz WMXQSISKLNLEKA-SNVBAGLBSA-N 1 0 245.244 3.400 10 0 BGAERO FC(F)(F)Oc1cccc([C@@H]2CCCC[NH2+]2)c1 ZINC000062772404 385414390 /nfs/dbraw/zinc/41/43/90/385414390.db2.gz AVJDAIVCMAKCPU-NSHDSACASA-N 1 0 245.244 3.400 10 0 BGAERO FC(F)(F)Oc1cccc([C@H]2CCCC[NH2+]2)c1 ZINC000062772405 385413980 /nfs/dbraw/zinc/41/39/80/385413980.db2.gz AVJDAIVCMAKCPU-LLVKDONJSA-N 1 0 245.244 3.400 10 0 BGAERO C[NH2+]Cc1cnc(C(C)(C)c2ccccc2)s1 ZINC000062773644 173392078 /nfs/dbraw/zinc/39/20/78/173392078.db2.gz KCXOIRXVYFVGAD-UHFFFAOYSA-N 1 0 246.379 3.188 10 0 BGAERO CC[NH2+][C@@H](CCOCC)c1ccc(F)cc1F ZINC000062774491 170145184 /nfs/dbraw/zinc/14/51/84/170145184.db2.gz XEYBZDBSWMJBLQ-ZDUSSCGKSA-N 1 0 243.297 3.042 10 0 BGAERO CC[NH2+][C@H](CCOCC)c1ccc(F)cc1F ZINC000062774492 170161756 /nfs/dbraw/zinc/16/17/56/170161756.db2.gz XEYBZDBSWMJBLQ-CYBMUJFWSA-N 1 0 243.297 3.042 10 0 BGAERO CC(C)(C)[C@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000062783639 187613998 /nfs/dbraw/zinc/61/39/98/187613998.db2.gz XXFNMEXPGYLSMU-AWEZNQCLSA-N 1 0 247.382 3.108 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])C1(c2ccccc2)CCOCC1 ZINC000062783640 166696737 /nfs/dbraw/zinc/69/67/37/166696737.db2.gz XXFNMEXPGYLSMU-CQSZACIVSA-N 1 0 247.382 3.108 10 0 BGAERO CC[NH2+][C@@H](CC)C1(c2ccccc2)CCOCC1 ZINC000062783783 170143995 /nfs/dbraw/zinc/14/39/95/170143995.db2.gz VFAMJPLXECTFAG-HNNXBMFYSA-N 1 0 247.382 3.123 10 0 BGAERO CC[NH2+][C@H](CC)C1(c2ccccc2)CCOCC1 ZINC000062783784 170161130 /nfs/dbraw/zinc/16/11/30/170161130.db2.gz VFAMJPLXECTFAG-OAHLLOKOSA-N 1 0 247.382 3.123 10 0 BGAERO CCC[NH2+][C@@H](C)C1(c2ccccc2)CCOCC1 ZINC000062783819 169274828 /nfs/dbraw/zinc/27/48/28/169274828.db2.gz NGODIBCGUKACNI-AWEZNQCLSA-N 1 0 247.382 3.123 10 0 BGAERO CCC[NH2+][C@H](C)C1(c2ccccc2)CCOCC1 ZINC000062783820 169285712 /nfs/dbraw/zinc/28/57/12/169285712.db2.gz NGODIBCGUKACNI-CQSZACIVSA-N 1 0 247.382 3.123 10 0 BGAERO CCC[C@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785829 346989839 /nfs/dbraw/zinc/98/98/39/346989839.db2.gz MZUQIHVCGRHWHY-JTQLQIEISA-N 1 0 201.672 3.279 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc(Cl)cc1F ZINC000062785830 346990008 /nfs/dbraw/zinc/99/00/08/346990008.db2.gz MZUQIHVCGRHWHY-SNVBAGLBSA-N 1 0 201.672 3.279 10 0 BGAERO CC[C@H]([NH2+]C)c1ccc(Cl)cc1F ZINC000062786198 346990158 /nfs/dbraw/zinc/99/01/58/346990158.db2.gz QYZCCGYSNYFMQU-JTQLQIEISA-N 1 0 201.672 3.150 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccc(Cl)cc1F ZINC000062786199 346989727 /nfs/dbraw/zinc/98/97/27/346989727.db2.gz QYZCCGYSNYFMQU-SNVBAGLBSA-N 1 0 201.672 3.150 10 0 BGAERO CC(C)(C)Nc1cc(Cl)ccc1C[NH3+] ZINC000062787024 385476007 /nfs/dbraw/zinc/47/60/07/385476007.db2.gz FURQMMQFUGXIKJ-UHFFFAOYSA-N 1 0 212.724 3.009 10 0 BGAERO Cc1ccc(Oc2cc(Cl)ccc2C[NH3+])cn1 ZINC000062787211 178819665 /nfs/dbraw/zinc/81/96/65/178819665.db2.gz CAFDJQXTAXKNBP-UHFFFAOYSA-N 1 0 248.713 3.294 10 0 BGAERO CC(C)Sc1cc(Cl)ccc1C[NH3+] ZINC000062787261 167335164 /nfs/dbraw/zinc/33/51/64/167335164.db2.gz OIWUPEIKQLHLQQ-UHFFFAOYSA-N 1 0 215.749 3.299 10 0 BGAERO CCC[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792085 347047646 /nfs/dbraw/zinc/04/76/46/347047646.db2.gz AMDDSZAHAUUFBM-JTQLQIEISA-N 1 0 201.672 3.279 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792086 347047676 /nfs/dbraw/zinc/04/76/76/347047676.db2.gz AMDDSZAHAUUFBM-SNVBAGLBSA-N 1 0 201.672 3.279 10 0 BGAERO CC(C)[C@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792123 188302993 /nfs/dbraw/zinc/30/29/93/188302993.db2.gz UWCAFFFSPQEHJN-JTQLQIEISA-N 1 0 201.672 3.135 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc(F)c(Cl)c1 ZINC000062792124 167422541 /nfs/dbraw/zinc/42/25/41/167422541.db2.gz UWCAFFFSPQEHJN-SNVBAGLBSA-N 1 0 201.672 3.135 10 0 BGAERO CC[C@H]([NH2+]C)c1ccc(F)c(Cl)c1 ZINC000062792389 347048925 /nfs/dbraw/zinc/04/89/25/347048925.db2.gz AQPVMMHPPXONQG-JTQLQIEISA-N 1 0 201.672 3.150 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccc(F)c(Cl)c1 ZINC000062792390 347048545 /nfs/dbraw/zinc/04/85/45/347048545.db2.gz AQPVMMHPPXONQG-SNVBAGLBSA-N 1 0 201.672 3.150 10 0 BGAERO [NH3+]Cc1ccc(NC2CCCC2)c(Cl)c1 ZINC000062793160 181485129 /nfs/dbraw/zinc/48/51/29/181485129.db2.gz DATZUBDNARNDEP-UHFFFAOYSA-N 1 0 224.735 3.153 10 0 BGAERO CC(C)Sc1ccc(C[NH3+])cc1Cl ZINC000062793400 167337394 /nfs/dbraw/zinc/33/73/94/167337394.db2.gz WRQLGIKQMDTQTF-UHFFFAOYSA-N 1 0 215.749 3.299 10 0 BGAERO CC(C)Sc1ccc(C(N)=[NH2+])cc1Cl ZINC000062794878 347048051 /nfs/dbraw/zinc/04/80/51/347048051.db2.gz BGRNTSFIUBSQFD-UHFFFAOYSA-N 1 0 228.748 3.125 10 0 BGAERO CC(C)C[C@H]([NH3+])c1cc2ccccc2o1 ZINC000062797505 582463702 /nfs/dbraw/zinc/46/37/02/582463702.db2.gz ZGGSJPWPXMPDDY-NSHDSACASA-N 1 0 203.285 3.479 10 0 BGAERO [NH3+][C@H](CC1CCOCC1)c1cc2ccccc2o1 ZINC000062797597 181613266 /nfs/dbraw/zinc/61/32/66/181613266.db2.gz SOYJNJAMOLPZKJ-CYBMUJFWSA-N 1 0 245.322 3.249 10 0 BGAERO C[NH2+][C@@H](C[C@@H]1CCCO1)c1cc2ccccc2o1 ZINC000062797779 173425155 /nfs/dbraw/zinc/42/51/55/173425155.db2.gz GWOMUFUVMVSYEH-STQMWFEESA-N 1 0 245.322 3.262 10 0 BGAERO CCC[C@@H](C)COc1cccc2c1CC[C@@H]2[NH3+] ZINC000062798478 169361484 /nfs/dbraw/zinc/36/14/84/169361484.db2.gz LULDAHWMPDITOT-RISCZKNCSA-N 1 0 233.355 3.448 10 0 BGAERO CCC[C@@H](C)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798480 169361292 /nfs/dbraw/zinc/36/12/92/169361292.db2.gz LULDAHWMPDITOT-BXUZGUMPSA-N 1 0 233.355 3.448 10 0 BGAERO CCC[C@H](C)COc1cccc2c1CC[C@H]2[NH3+] ZINC000062798481 169484119 /nfs/dbraw/zinc/48/41/19/169484119.db2.gz LULDAHWMPDITOT-SMDDNHRTSA-N 1 0 233.355 3.448 10 0 BGAERO [NH3+][C@H]1CCc2c1cccc2OCc1ccccc1 ZINC000062798826 347057608 /nfs/dbraw/zinc/05/76/08/347057608.db2.gz XDYCMNHSTOVJRO-HNNXBMFYSA-N 1 0 239.318 3.212 10 0 BGAERO [NH3+][C@@H]1CCc2c1cccc2OCc1ccccc1 ZINC000062798827 347057479 /nfs/dbraw/zinc/05/74/79/347057479.db2.gz XDYCMNHSTOVJRO-OAHLLOKOSA-N 1 0 239.318 3.212 10 0 BGAERO CC[NH2+][C@@H]1CCc2c1cccc2OCC(C)C ZINC000062799732 170154408 /nfs/dbraw/zinc/15/44/08/170154408.db2.gz GBFWCTOZMWVUNT-CQSZACIVSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@H]1CCc2c1cccc2OCC(C)C ZINC000062799733 170168719 /nfs/dbraw/zinc/16/87/19/170168719.db2.gz GBFWCTOZMWVUNT-AWEZNQCLSA-N 1 0 233.355 3.318 10 0 BGAERO CC[NH2+][C@@H](CC)c1ccc2ncccc2c1 ZINC000062802368 170144396 /nfs/dbraw/zinc/14/43/96/170144396.db2.gz DCAZTKQLFXLDHK-ZDUSSCGKSA-N 1 0 214.312 3.295 10 0 BGAERO CC[NH2+][C@H](CC)c1ccc2ncccc2c1 ZINC000062802369 170161978 /nfs/dbraw/zinc/16/19/78/170161978.db2.gz DCAZTKQLFXLDHK-CYBMUJFWSA-N 1 0 214.312 3.295 10 0 BGAERO CCC[C@@H](C)COc1ccc2c(c1)OC[C@@H]2[NH2+]C ZINC000062804215 169361307 /nfs/dbraw/zinc/36/13/07/169361307.db2.gz IBHXAKXGWMUJAF-RISCZKNCSA-N 1 0 249.354 3.155 10 0 BGAERO CCC[C@@H](C)COc1ccc2c(c1)OC[C@H]2[NH2+]C ZINC000062804217 169361326 /nfs/dbraw/zinc/36/13/26/169361326.db2.gz IBHXAKXGWMUJAF-BXUZGUMPSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H]1COc2cc(OCCC(C)C)ccc21 ZINC000062804559 170153917 /nfs/dbraw/zinc/15/39/17/170153917.db2.gz FFMFUMILQHIZMD-CQSZACIVSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@H]1COc2cc(OCCC(C)C)ccc21 ZINC000062804560 170168782 /nfs/dbraw/zinc/16/87/82/170168782.db2.gz FFMFUMILQHIZMD-AWEZNQCLSA-N 1 0 249.354 3.155 10 0 BGAERO CC[NH2+][C@@H]1COc2cc(OCC=C(C)C)ccc21 ZINC000062804773 170153406 /nfs/dbraw/zinc/15/34/06/170153406.db2.gz LGDPHJXQRWNXIX-CQSZACIVSA-N 1 0 247.338 3.075 10 0 BGAERO CC[NH2+][C@H]1COc2cc(OCC=C(C)C)ccc21 ZINC000062804774 170168650 /nfs/dbraw/zinc/16/86/50/170168650.db2.gz LGDPHJXQRWNXIX-AWEZNQCLSA-N 1 0 247.338 3.075 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)n1c(CC)nc2ccccc21 ZINC000062807443 170158487 /nfs/dbraw/zinc/15/84/87/170158487.db2.gz DMOOGVBSVZZSBM-NEPJUHHUSA-N 1 0 245.370 3.158 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)n1c(CC)nc2ccccc21 ZINC000062807444 170158395 /nfs/dbraw/zinc/15/83/95/170158395.db2.gz DMOOGVBSVZZSBM-VXGBXAGGSA-N 1 0 245.370 3.158 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](C)n1c(CC)nc2ccccc21 ZINC000062807445 170141381 /nfs/dbraw/zinc/14/13/81/170141381.db2.gz DMOOGVBSVZZSBM-RYUDHWBXSA-N 1 0 245.370 3.158 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)n1c(CC)nc2ccccc21 ZINC000062807446 170140429 /nfs/dbraw/zinc/14/04/29/170140429.db2.gz DMOOGVBSVZZSBM-NWDGAFQWSA-N 1 0 245.370 3.158 10 0 BGAERO CCc1nc2ccccc2n1[C@@H](C)[C@@H](CC)[NH2+]C ZINC000062807559 172014076 /nfs/dbraw/zinc/01/40/76/172014076.db2.gz BQJMAHGGEAJSTK-NWDGAFQWSA-N 1 0 245.370 3.158 10 0 BGAERO CCc1nc2ccccc2n1[C@H](C)[C@@H](CC)[NH2+]C ZINC000062807560 172013664 /nfs/dbraw/zinc/01/36/64/172013664.db2.gz BQJMAHGGEAJSTK-VXGBXAGGSA-N 1 0 245.370 3.158 10 0 BGAERO CCc1nc2ccccc2n1[C@@H](C)[C@H](CC)[NH2+]C ZINC000062807561 172014043 /nfs/dbraw/zinc/01/40/43/172014043.db2.gz BQJMAHGGEAJSTK-RYUDHWBXSA-N 1 0 245.370 3.158 10 0 BGAERO CCc1nc2ccccc2n1[C@H](C)[C@H](CC)[NH2+]C ZINC000062807562 172013342 /nfs/dbraw/zinc/01/33/42/172013342.db2.gz BQJMAHGGEAJSTK-NEPJUHHUSA-N 1 0 245.370 3.158 10 0 BGAERO c1ccc2c(c1)C[NH2+]CCN2CC1CCCCC1 ZINC000062818180 323086480 /nfs/dbraw/zinc/08/64/80/323086480.db2.gz NWSVZRQQISIGOI-UHFFFAOYSA-N 1 0 244.382 3.177 10 0 BGAERO CCC[NH2+]Cc1cnc(-c2ccc(Cl)cc2)[nH]1 ZINC000062821161 169266051 /nfs/dbraw/zinc/26/60/51/169266051.db2.gz OHOZWUHLUZHLQJ-UHFFFAOYSA-N 1 0 249.745 3.230 10 0 BGAERO CC(C)[NH2+]Cc1cnc(-c2ccc(Cl)cc2)[nH]1 ZINC000062821278 167117232 /nfs/dbraw/zinc/11/72/32/167117232.db2.gz AWHQZWUPBYAAEP-UHFFFAOYSA-N 1 0 249.745 3.228 10 0 BGAERO CC(C)C[NH2+]Cc1cnc(C2CCC(C)CC2)[nH]1 ZINC000062821584 167007964 /nfs/dbraw/zinc/00/79/64/167007964.db2.gz NZJLLLMZIGUSHF-UHFFFAOYSA-N 1 0 249.402 3.449 10 0 BGAERO Cc1ccc(-c2ncc(C[NH2+]CC(C)C)[nH]2)cc1 ZINC000062821611 178335201 /nfs/dbraw/zinc/33/52/01/178335201.db2.gz XPLFZNYBFUOXJA-UHFFFAOYSA-N 1 0 243.354 3.131 10 0 BGAERO CC(C)C[NH2+]Cc1cnc(C2CCCCC2)[nH]1 ZINC000062821615 167007820 /nfs/dbraw/zinc/00/78/20/167007820.db2.gz QCKWRTZMTMYFMZ-UHFFFAOYSA-N 1 0 235.375 3.203 10 0 BGAERO NC(=[NH2+])c1ccc(SC2CCCC2)cc1 ZINC000062829725 181195438 /nfs/dbraw/zinc/19/54/38/181195438.db2.gz UXMUROIQKJNBCG-UHFFFAOYSA-N 1 0 220.341 3.005 10 0 BGAERO [NH3+]Cc1ccccc1SC1CCCC1 ZINC000062829965 347139636 /nfs/dbraw/zinc/13/96/36/347139636.db2.gz BTMSDGAGIXTXSM-UHFFFAOYSA-N 1 0 207.342 3.180 10 0 BGAERO [NH3+]Cc1ccc(SC2CCCC2)cc1 ZINC000062829970 385800541 /nfs/dbraw/zinc/80/05/41/385800541.db2.gz ZCMQUQOFHOUPPI-UHFFFAOYSA-N 1 0 207.342 3.180 10 0 BGAERO [NH3+]Cc1ccc(CSC2CCCC2)cc1 ZINC000062830013 349493653 /nfs/dbraw/zinc/49/36/53/349493653.db2.gz WVVMSMYEVIIURR-UHFFFAOYSA-N 1 0 221.369 3.321 10 0 BGAERO [NH3+]C1CCC(SCC2CCCC2)CC1 ZINC000062835544 347170656 /nfs/dbraw/zinc/17/06/56/347170656.db2.gz HKAAVIZCAMSYPS-UHFFFAOYSA-N 1 0 213.390 3.180 10 0 BGAERO NC(=[NH2+])c1cccc(CSCC2CCCC2)c1 ZINC000062836164 181196123 /nfs/dbraw/zinc/19/61/23/181196123.db2.gz OHRZLLYZAQRVER-UHFFFAOYSA-N 1 0 248.395 3.394 10 0 BGAERO [NH3+]Cc1ccc(SCC2CCCC2)cc1 ZINC000062836354 188542596 /nfs/dbraw/zinc/54/25/96/188542596.db2.gz VIPSYMGETTVPDV-UHFFFAOYSA-N 1 0 221.369 3.428 10 0 BGAERO CCN(C[C@]1(C)CCC[NH2+]C1)c1cccc(C)c1 ZINC000062862179 169898972 /nfs/dbraw/zinc/89/89/72/169898972.db2.gz WRBGPLWUDXTIBD-MRXNPFEDSA-N 1 0 246.398 3.211 10 0 BGAERO CC[C@@]1(C[N@H+](C)[C@@H](C)CC(C)C)CCC[NH2+]C1 ZINC000062862742 171211101 /nfs/dbraw/zinc/21/11/01/171211101.db2.gz PNCACWKOFIXJBN-LSDHHAIUSA-N 1 0 240.435 3.133 10 0 BGAERO CC[C@@]1(c2nc3cc(C)ccc3o2)CCC[NH2+]C1 ZINC000062872533 171216353 /nfs/dbraw/zinc/21/63/53/171216353.db2.gz MLIHHZCSABZFFM-OAHLLOKOSA-N 1 0 244.338 3.167 10 0 BGAERO CC[C@@]1(CN(C)c2cc(C)cc(C)c2)CC[NH2+]C1 ZINC000062912244 171210289 /nfs/dbraw/zinc/21/02/89/171210289.db2.gz FAZRWOQNYVYBHQ-MRXNPFEDSA-N 1 0 246.398 3.129 10 0 BGAERO CCC[C@]1(CN(C)c2ccc(C)cc2)CC[NH2+]C1 ZINC000062912273 169556459 /nfs/dbraw/zinc/55/64/59/169556459.db2.gz MCHRODXHUSGFEF-INIZCTEOSA-N 1 0 246.398 3.211 10 0 BGAERO CC(C)Cc1nc(-c2ccc(C[NH3+])cc2)cs1 ZINC000062938362 188303876 /nfs/dbraw/zinc/30/38/76/188303876.db2.gz HUXQXYHLZVOJNI-UHFFFAOYSA-N 1 0 246.379 3.467 10 0 BGAERO CC(C)c1nc(-c2ccc(C[NH3+])cc2)cs1 ZINC000062938365 187274158 /nfs/dbraw/zinc/27/41/58/187274158.db2.gz FLKOZEDWTWFKCG-UHFFFAOYSA-N 1 0 232.352 3.392 10 0 BGAERO CC(C)Cc1nc(-c2cccc(C[NH3+])c2)cs1 ZINC000062938444 188304136 /nfs/dbraw/zinc/30/41/36/188304136.db2.gz CNGULXMKXGSKNX-UHFFFAOYSA-N 1 0 246.379 3.467 10 0 BGAERO Cc1ccc(-c2cccc([C@@H](C)[NH3+])c2)cn1 ZINC000062948329 178326386 /nfs/dbraw/zinc/32/63/86/178326386.db2.gz VCQTYBCKRLXPSH-LLVKDONJSA-N 1 0 212.296 3.077 10 0 BGAERO Cc1ccc(-c2cccc([C@H](C)[NH3+])c2)cn1 ZINC000062948330 178326854 /nfs/dbraw/zinc/32/68/54/178326854.db2.gz VCQTYBCKRLXPSH-NSHDSACASA-N 1 0 212.296 3.077 10 0 BGAERO Cc1ccc(-c2ccccc2C[NH2+]C2CC2)cn1 ZINC000062948401 178326669 /nfs/dbraw/zinc/32/66/69/178326669.db2.gz WQZQJRWCIXQFPH-UHFFFAOYSA-N 1 0 238.334 3.309 10 0 BGAERO CC[NH2+][C@H](c1ccc(C)nc1)c1cccc(C)c1 ZINC000062950015 170163520 /nfs/dbraw/zinc/16/35/20/170163520.db2.gz VIRSGYZSZDXOIU-INIZCTEOSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@@H](c1ccc(C)nc1)c1cccc(C)c1 ZINC000062950016 170147730 /nfs/dbraw/zinc/14/77/30/170147730.db2.gz VIRSGYZSZDXOIU-MRXNPFEDSA-N 1 0 240.350 3.397 10 0 BGAERO Cc1ccc([C@@H]([NH3+])Cc2ccccc2Cl)cn1 ZINC000062950240 178860222 /nfs/dbraw/zinc/86/02/22/178860222.db2.gz TXAYBDYYNJAZLI-AWEZNQCLSA-N 1 0 246.741 3.286 10 0 BGAERO CC[NH2+][C@@H](Cc1cccs1)c1ccc(C)nc1 ZINC000062950331 170146289 /nfs/dbraw/zinc/14/62/89/170146289.db2.gz XPGXCMPLJVRZCU-AWEZNQCLSA-N 1 0 246.379 3.345 10 0 BGAERO CC[NH2+][C@H](Cc1cccs1)c1ccc(C)nc1 ZINC000062950332 170162985 /nfs/dbraw/zinc/16/29/85/170162985.db2.gz XPGXCMPLJVRZCU-CQSZACIVSA-N 1 0 246.379 3.345 10 0 BGAERO CC[NH2+][C@@H]1CCCCC[C@@H]1c1ccc(C)nc1 ZINC000062950631 170151101 /nfs/dbraw/zinc/15/11/01/170151101.db2.gz ICAGSXJNCZUYOL-HUUCEWRRSA-N 1 0 232.371 3.416 10 0 BGAERO CC[NH2+][C@H]1CCCCC[C@@H]1c1ccc(C)nc1 ZINC000062950632 170165681 /nfs/dbraw/zinc/16/56/81/170165681.db2.gz ICAGSXJNCZUYOL-CABCVRRESA-N 1 0 232.371 3.416 10 0 BGAERO CC[NH2+][C@@H]1CCCCC[C@H]1c1ccc(C)nc1 ZINC000062950633 170150555 /nfs/dbraw/zinc/15/05/55/170150555.db2.gz ICAGSXJNCZUYOL-LSDHHAIUSA-N 1 0 232.371 3.416 10 0 BGAERO CC[NH2+][C@H]1CCCCC[C@H]1c1ccc(C)nc1 ZINC000062950634 170166103 /nfs/dbraw/zinc/16/61/03/170166103.db2.gz ICAGSXJNCZUYOL-GJZGRUSLSA-N 1 0 232.371 3.416 10 0 BGAERO CCCCCn1cc(CC[NH3+])c2ccccc21 ZINC000062950683 168751573 /nfs/dbraw/zinc/75/15/73/168751573.db2.gz HWKFFMAEBXXASP-UHFFFAOYSA-N 1 0 230.355 3.333 10 0 BGAERO CCC1(C)CCN(c2ccccc2C[NH3+])CC1 ZINC000062951129 132388805 /nfs/dbraw/zinc/38/88/05/132388805.db2.gz BTXGMDBBUAXKQM-UHFFFAOYSA-N 1 0 232.371 3.162 10 0 BGAERO CCC1(C)CCN(c2cc(C)ccc2C[NH3+])CC1 ZINC000062951135 132388735 /nfs/dbraw/zinc/38/87/35/132388735.db2.gz PTJPNVRQTHVSOI-UHFFFAOYSA-N 1 0 246.398 3.470 10 0 BGAERO CC[C@H](C)[C@@H](C[NH3+])N1CCC2(CCCC2)CC1 ZINC000062952587 171369014 /nfs/dbraw/zinc/36/90/14/171369014.db2.gz BAMMJJLYRLIXKM-UONOGXRCSA-N 1 0 238.419 3.016 10 0 BGAERO CC[C@@H](C)[C@H](C[NH3+])N1CCC2(CCCC2)CC1 ZINC000062952588 170792718 /nfs/dbraw/zinc/79/27/18/170792718.db2.gz BAMMJJLYRLIXKM-KGLIPLIRSA-N 1 0 238.419 3.016 10 0 BGAERO CC[C@H](C)[C@H](C[NH3+])N1CCC2(CCCC2)CC1 ZINC000062952589 171392464 /nfs/dbraw/zinc/39/24/64/171392464.db2.gz BAMMJJLYRLIXKM-KBPBESRZSA-N 1 0 238.419 3.016 10 0 BGAERO CCCC[C@H](C[NH3+])N1CCC2(CCCC2)CC1 ZINC000062952629 169002617 /nfs/dbraw/zinc/00/26/17/169002617.db2.gz XPVHNJKXBSLFEV-CQSZACIVSA-N 1 0 238.419 3.160 10 0 BGAERO CCC1(C)CC[NH+]([C@@H]2CCCCC[C@@H]2N)CC1 ZINC000062952945 168445666 /nfs/dbraw/zinc/44/56/66/168445666.db2.gz UZNNZUMEHCMDAD-UONOGXRCSA-N 1 0 238.419 3.159 10 0 BGAERO CC[NH2+][C@@H](CC)[C@@H](C)N1CCC(C)(CC)CC1 ZINC000062952979 170143810 /nfs/dbraw/zinc/14/38/10/170143810.db2.gz VSGLOSCMUQPVNF-KGLIPLIRSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+][C@H](CC)[C@@H](C)N1CCC(C)(CC)CC1 ZINC000062952980 170161133 /nfs/dbraw/zinc/16/11/33/170161133.db2.gz VSGLOSCMUQPVNF-ZIAGYGMSSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+][C@@H](CC)[C@H](C)N1CCC(C)(CC)CC1 ZINC000062952981 170144230 /nfs/dbraw/zinc/14/42/30/170144230.db2.gz VSGLOSCMUQPVNF-KBPBESRZSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+][C@H](CC)[C@H](C)N1CCC(C)(CC)CC1 ZINC000062952982 170161229 /nfs/dbraw/zinc/16/12/29/170161229.db2.gz VSGLOSCMUQPVNF-UONOGXRCSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[C@@H](CN1CCC(C)(CC)CC1)[NH2+]CC ZINC000062953061 169383596 /nfs/dbraw/zinc/38/35/96/169383596.db2.gz KQFLBCYTMMWFRS-AWEZNQCLSA-N 1 0 240.435 3.277 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)N1CCC(CC)(CC)CC1 ZINC000062953278 170158667 /nfs/dbraw/zinc/15/86/67/170158667.db2.gz PPUNEXBKHWUAQW-KGLIPLIRSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)N1CCC(CC)(CC)CC1 ZINC000062953279 170158358 /nfs/dbraw/zinc/15/83/58/170158358.db2.gz PPUNEXBKHWUAQW-ZIAGYGMSSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](C)N1CCC(CC)(CC)CC1 ZINC000062953280 170140991 /nfs/dbraw/zinc/14/09/91/170140991.db2.gz PPUNEXBKHWUAQW-KBPBESRZSA-N 1 0 240.435 3.275 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)N1CCC(CC)(CC)CC1 ZINC000062953281 170140352 /nfs/dbraw/zinc/14/03/52/170140352.db2.gz PPUNEXBKHWUAQW-UONOGXRCSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[C@@H](CN1CCC(CC)(CC)CC1)[NH2+]C ZINC000062953325 169383574 /nfs/dbraw/zinc/38/35/74/169383574.db2.gz KBXWRGDSHBPOCJ-AWEZNQCLSA-N 1 0 240.435 3.277 10 0 BGAERO CCC[C@H](CN1CCC(CC)(CC)CC1)[NH2+]C ZINC000062953326 169498510 /nfs/dbraw/zinc/49/85/10/169498510.db2.gz KBXWRGDSHBPOCJ-CQSZACIVSA-N 1 0 240.435 3.277 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000062953606 170140502 /nfs/dbraw/zinc/14/05/02/170140502.db2.gz WVANUQWGIURHBP-UONOGXRCSA-N 1 0 238.419 3.029 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)N1CCC2(CCCC2)CC1 ZINC000062953607 170158741 /nfs/dbraw/zinc/15/87/41/170158741.db2.gz WVANUQWGIURHBP-ZIAGYGMSSA-N 1 0 238.419 3.029 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000062953608 170141007 /nfs/dbraw/zinc/14/10/07/170141007.db2.gz WVANUQWGIURHBP-KBPBESRZSA-N 1 0 238.419 3.029 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)N1CCC2(CCCC2)CC1 ZINC000062953609 170158703 /nfs/dbraw/zinc/15/87/03/170158703.db2.gz WVANUQWGIURHBP-KGLIPLIRSA-N 1 0 238.419 3.029 10 0 BGAERO CCC1(CC)CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000062955329 168459865 /nfs/dbraw/zinc/45/98/65/168459865.db2.gz WFMGRHDRSUTSBB-KBPBESRZSA-N 1 0 239.403 3.192 10 0 BGAERO CCC1(C)CC[NH+]([C@H]2C[C@@H](C)CC[C@@H]2O)CC1 ZINC000062955671 168447425 /nfs/dbraw/zinc/44/74/25/168447425.db2.gz STPYOJKCCYJLBX-IHRRRGAJSA-N 1 0 239.403 3.048 10 0 BGAERO CCC1(CC)CC[NH+](CCCC[C@@H](C)O)CC1 ZINC000062955713 168456938 /nfs/dbraw/zinc/45/69/38/168456938.db2.gz KCHLZGVSOQNQEW-CQSZACIVSA-N 1 0 241.419 3.440 10 0 BGAERO CCC[C@@](C)(CO)C[NH+]1CCC(C)(CC)CC1 ZINC000062957347 169448415 /nfs/dbraw/zinc/44/84/15/169448415.db2.gz OVGRAKGNBHLQHC-OAHLLOKOSA-N 1 0 241.419 3.297 10 0 BGAERO CCC[NH2+]C[C@@H](CC)N1CCC(C)(CC)CC1 ZINC000062958258 169262946 /nfs/dbraw/zinc/26/29/46/169262946.db2.gz CNBFGVRKGSEOSI-CQSZACIVSA-N 1 0 240.435 3.277 10 0 BGAERO CCC[NH2+]C[C@H](CC)N1CCC(C)(CC)CC1 ZINC000062958259 169263505 /nfs/dbraw/zinc/26/35/05/169263505.db2.gz CNBFGVRKGSEOSI-AWEZNQCLSA-N 1 0 240.435 3.277 10 0 BGAERO CCC[NH2+]C[C@@H](C)N1CCC(CC)(CC)CC1 ZINC000062958449 169261628 /nfs/dbraw/zinc/26/16/28/169261628.db2.gz HDXOMLWNEYMSIR-CQSZACIVSA-N 1 0 240.435 3.277 10 0 BGAERO CCC[NH2+]C[C@H](C)N1CCC(CC)(CC)CC1 ZINC000062958450 169263285 /nfs/dbraw/zinc/26/32/85/169263285.db2.gz HDXOMLWNEYMSIR-AWEZNQCLSA-N 1 0 240.435 3.277 10 0 BGAERO CCCC[NH2+]C[C@@H](C)N1CCC(C)(CC)CC1 ZINC000062958744 168868060 /nfs/dbraw/zinc/86/80/60/168868060.db2.gz AUDZDUZZDSXGDC-CQSZACIVSA-N 1 0 240.435 3.277 10 0 BGAERO CCC(CC)[NH2+]CCN1CCC(C)(CC)CC1 ZINC000062958761 168388496 /nfs/dbraw/zinc/38/84/96/168388496.db2.gz WOIODDDYNBQNPY-UHFFFAOYSA-N 1 0 240.435 3.277 10 0 BGAERO [NH2+]=C(NC1CCCC1)N1CCC2(CCCC2)CC1 ZINC000062959769 181196782 /nfs/dbraw/zinc/19/67/82/181196782.db2.gz HVYMFKMBJXALSK-UHFFFAOYSA-N 1 0 249.402 3.110 10 0 BGAERO CC[NH2+]C(C)(C)CN1CCC2(CCCC2)CC1 ZINC000062959925 170107740 /nfs/dbraw/zinc/10/77/40/170107740.db2.gz VPGSNWUOZHVJKU-UHFFFAOYSA-N 1 0 238.419 3.031 10 0 BGAERO CC(=[NH2+])Nc1ccc(C)cc1Br ZINC000062986930 349864100 /nfs/dbraw/zinc/86/41/00/349864100.db2.gz WGQTTYDRSXYGEQ-UHFFFAOYSA-N 1 0 227.105 3.167 10 0 BGAERO CC(=[NH2+])Nc1ccc(Br)cc1C ZINC000062986949 343746944 /nfs/dbraw/zinc/74/69/44/343746944.db2.gz PWZGTVTXIQDPBQ-UHFFFAOYSA-N 1 0 227.105 3.167 10 0 BGAERO CC(=[NH2+])Nc1ccc(Br)c(C)c1 ZINC000062986969 349863938 /nfs/dbraw/zinc/86/39/38/349863938.db2.gz OHTKIBDIBKFEIX-UHFFFAOYSA-N 1 0 227.105 3.167 10 0 BGAERO CC(=[NH2+])Nc1ccc(C(F)(F)F)cc1 ZINC000062986972 349863848 /nfs/dbraw/zinc/86/38/48/349863848.db2.gz VKAKJMWDXOOWGO-UHFFFAOYSA-N 1 0 202.179 3.114 10 0 BGAERO CC(=[NH2+])NC(c1ccccc1)c1ccccc1 ZINC000062987125 187785137 /nfs/dbraw/zinc/78/51/37/187785137.db2.gz YDCJSNAYJJSKMS-UHFFFAOYSA-N 1 0 224.307 3.363 10 0 in-vivo BGAERO CC(=[NH2+])Nc1ccc(SC(F)F)cc1 ZINC000062987164 349866259 /nfs/dbraw/zinc/86/62/59/349866259.db2.gz ALRBQCBBIUMIED-UHFFFAOYSA-N 1 0 216.256 3.410 10 0 BGAERO CC(=[NH2+])Nc1cc(Br)ccc1C ZINC000062987237 349866868 /nfs/dbraw/zinc/86/68/68/349866868.db2.gz OZEKNBKRONCXHU-UHFFFAOYSA-N 1 0 227.105 3.167 10 0 BGAERO CC(=[NH2+])N[C@@H](C)c1cccc(Br)c1 ZINC000062987352 349867392 /nfs/dbraw/zinc/86/73/92/349867392.db2.gz GFUNHMXTXKCANY-ZETCQYMHSA-N 1 0 241.132 3.097 10 0 BGAERO CC(=[NH2+])N[C@H](C)c1cccc(Br)c1 ZINC000062987353 349867345 /nfs/dbraw/zinc/86/73/45/349867345.db2.gz GFUNHMXTXKCANY-SSDOTTSWSA-N 1 0 241.132 3.097 10 0 BGAERO CC(=[NH2+])N[C@@H](C)c1ccc(Cl)s1 ZINC000062987356 349867212 /nfs/dbraw/zinc/86/72/12/349867212.db2.gz LMMHCRTXJADMGO-YFKPBYRVSA-N 1 0 202.710 3.049 10 0 BGAERO CC(=[NH2+])N[C@H](C)c1ccc(Cl)s1 ZINC000062987357 349867696 /nfs/dbraw/zinc/86/76/96/349867696.db2.gz LMMHCRTXJADMGO-RXMQYKEDSA-N 1 0 202.710 3.049 10 0 BGAERO CC(=[NH2+])N[C@@H](C)c1ccc(Br)cc1 ZINC000062987472 349868194 /nfs/dbraw/zinc/86/81/94/349868194.db2.gz XXWTZBVXFJLBDO-ZETCQYMHSA-N 1 0 241.132 3.097 10 0 BGAERO CC(=[NH2+])N[C@H](C)c1ccc(Br)cc1 ZINC000062987473 349868138 /nfs/dbraw/zinc/86/81/38/349868138.db2.gz XXWTZBVXFJLBDO-SSDOTTSWSA-N 1 0 241.132 3.097 10 0 BGAERO CC(=[NH2+])N(C)[C@@H](C)c1ccc(Cl)cc1 ZINC000062987636 349868349 /nfs/dbraw/zinc/86/83/49/349868349.db2.gz LQKVDVKPNDAQNR-QMMMGPOBSA-N 1 0 210.708 3.330 10 0 BGAERO CC(=[NH2+])N(C)[C@H](C)c1ccc(Cl)cc1 ZINC000062987637 349868218 /nfs/dbraw/zinc/86/82/18/349868218.db2.gz LQKVDVKPNDAQNR-MRVPVSSYSA-N 1 0 210.708 3.330 10 0 BGAERO CC(C)C(=[NH2+])NCc1ccccc1C(F)(F)F ZINC000062987783 188304279 /nfs/dbraw/zinc/30/42/79/188304279.db2.gz OMVUUKPIPQZTIG-UHFFFAOYSA-N 1 0 244.260 3.428 10 0 BGAERO CCC(=[NH2+])N[C@@H]1CCCc2sccc21 ZINC000062987837 343746809 /nfs/dbraw/zinc/74/68/09/343746809.db2.gz KAKZHWNEPYIEFT-SECBINFHSA-N 1 0 208.330 3.102 10 0 BGAERO CCC(=[NH2+])N[C@H]1CCCc2sccc21 ZINC000062987838 349868396 /nfs/dbraw/zinc/86/83/96/349868396.db2.gz KAKZHWNEPYIEFT-VIFPVBQESA-N 1 0 208.330 3.102 10 0 BGAERO CCC(=[NH2+])Nc1ccc(F)cc1Cl ZINC000062988028 349869257 /nfs/dbraw/zinc/86/92/57/349869257.db2.gz CKWKIAOHBPPXQM-UHFFFAOYSA-N 1 0 200.644 3.278 10 0 BGAERO [NH2+]=C(Nc1ccc(F)cc1Cl)C1CC1 ZINC000062988031 343746963 /nfs/dbraw/zinc/74/69/63/343746963.db2.gz OYQGKNORVLFJPN-UHFFFAOYSA-N 1 0 212.655 3.278 10 0 BGAERO [NH2+]=C(Nc1ccc(F)c(Cl)c1)C1CC1 ZINC000062988105 349869288 /nfs/dbraw/zinc/86/92/88/349869288.db2.gz IIAGIKVCFZREON-UHFFFAOYSA-N 1 0 212.655 3.278 10 0 BGAERO [NH2+]=C(Nc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000062988140 181199480 /nfs/dbraw/zinc/19/94/80/181199480.db2.gz DKODWPACHDUEPG-UHFFFAOYSA-N 1 0 246.310 3.385 10 0 BGAERO CSc1cccc(NC(=[NH2+])C(C)C)c1 ZINC000062988331 349869291 /nfs/dbraw/zinc/86/92/91/349869291.db2.gz QXJNISYHSVWDAZ-UHFFFAOYSA-N 1 0 208.330 3.454 10 0 BGAERO Cc1ccc(NC(=[NH2+])C2CC2)cc1Cl ZINC000062988340 349868874 /nfs/dbraw/zinc/86/88/74/349868874.db2.gz GJBGJRSDMQVBQH-UHFFFAOYSA-N 1 0 208.692 3.448 10 0 BGAERO COc1ccccc1CNC(=[NH2+])C1CCCCC1 ZINC000062988409 175328815 /nfs/dbraw/zinc/32/88/15/175328815.db2.gz KFFJZEHPKMGLIH-UHFFFAOYSA-N 1 0 246.354 3.342 10 0 BGAERO CCC(=[NH2+])Nc1ccc(OC)c(Cl)c1 ZINC000062988437 349863960 /nfs/dbraw/zinc/86/39/60/349863960.db2.gz JJKBJKDTKMUONT-UHFFFAOYSA-N 1 0 212.680 3.148 10 0 BGAERO Cc1c(Cl)cccc1NC(=[NH2+])C1CC1 ZINC000062988543 349864090 /nfs/dbraw/zinc/86/40/90/349864090.db2.gz OOCWSYSFNNSPNL-UHFFFAOYSA-N 1 0 208.692 3.448 10 0 BGAERO CCC(=[NH2+])NC[C@@H](c1ccccc1)N(CC)CC ZINC000062988572 168196429 /nfs/dbraw/zinc/19/64/29/168196429.db2.gz PCLLHBHFALQIJF-AWEZNQCLSA-N 1 0 247.386 3.046 10 0 BGAERO CCC(=[NH2+])NC[C@H](c1ccccc1)N(CC)CC ZINC000062988573 168197354 /nfs/dbraw/zinc/19/73/54/168197354.db2.gz PCLLHBHFALQIJF-CQSZACIVSA-N 1 0 247.386 3.046 10 0 BGAERO CSc1ccc(NC(=[NH2+])C(C)C)cc1 ZINC000062988625 349864760 /nfs/dbraw/zinc/86/47/60/349864760.db2.gz VTUKCFNNSJEAFG-UHFFFAOYSA-N 1 0 208.330 3.454 10 0 BGAERO COc1cc(NC(=[NH2+])C(C)(C)C)cc(OC)c1 ZINC000062988752 174998608 /nfs/dbraw/zinc/99/86/08/174998608.db2.gz IPSGAJNPWSKVIT-UHFFFAOYSA-N 1 0 236.315 3.139 10 0 BGAERO COc1ccc(C)cc1NC(=[NH2+])c1ccccc1 ZINC000062988932 187273997 /nfs/dbraw/zinc/27/39/97/187273997.db2.gz JWMJFUSSTNCKTR-UHFFFAOYSA-N 1 0 240.306 3.441 10 0 BGAERO C[C@@H]1CCC[C@H](NC(=[NH2+])c2ccccc2)[C@@H]1C ZINC000062989068 176141446 /nfs/dbraw/zinc/14/14/46/176141446.db2.gz VSKSNIQOWHXNKI-BZPMIXESSA-N 1 0 230.355 3.426 10 0 BGAERO CC(C)C(=[NH2+])Nc1ccccc1Br ZINC000062989101 350101496 /nfs/dbraw/zinc/10/14/96/350101496.db2.gz QEOCTWZKJRKEPB-UHFFFAOYSA-N 1 0 241.132 3.494 10 0 BGAERO [NH2+]=C(Nc1ccccc1Br)C1CC1 ZINC000062989102 350101709 /nfs/dbraw/zinc/10/17/09/350101709.db2.gz VIXIENPUOKBEAW-UHFFFAOYSA-N 1 0 239.116 3.248 10 0 BGAERO CCC(=[NH2+])Nc1ccc(Br)cc1 ZINC000062989107 350101084 /nfs/dbraw/zinc/10/10/84/350101084.db2.gz JJFYIQVVKSJWGH-UHFFFAOYSA-N 1 0 227.105 3.248 10 0 BGAERO [NH2+]=C(Nc1ccc(Br)cc1)C1CC1 ZINC000062989110 350101734 /nfs/dbraw/zinc/10/17/34/350101734.db2.gz FDUJJSUZRBUDPH-UHFFFAOYSA-N 1 0 239.116 3.248 10 0 BGAERO CCC(=[NH2+])Nc1cccc(Br)c1 ZINC000062989114 350101566 /nfs/dbraw/zinc/10/15/66/350101566.db2.gz DZWKNYLXYATLHH-UHFFFAOYSA-N 1 0 227.105 3.248 10 0 BGAERO [NH2+]=C(Nc1cccc(Br)c1)C1CC1 ZINC000062989117 350101661 /nfs/dbraw/zinc/10/16/61/350101661.db2.gz SMXLQTSNLWUBJB-UHFFFAOYSA-N 1 0 239.116 3.248 10 0 BGAERO [NH2+]=C(Nc1cccc(OC(F)(F)F)c1)C1CC1 ZINC000062989409 181200369 /nfs/dbraw/zinc/20/03/69/181200369.db2.gz XJQSXTJXDFGLKE-UHFFFAOYSA-N 1 0 244.216 3.384 10 0 BGAERO Cc1ccc(Cl)cc1NC(=[NH2+])C1CC1 ZINC000062989432 350099930 /nfs/dbraw/zinc/09/99/30/350099930.db2.gz CSQRCSFRZSCGKA-UHFFFAOYSA-N 1 0 208.692 3.448 10 0 BGAERO CCC(=[NH2+])Nc1ccc(F)cc1Br ZINC000062989444 350099786 /nfs/dbraw/zinc/09/97/86/350099786.db2.gz XYIIDSNHEPEFDY-UHFFFAOYSA-N 1 0 245.095 3.387 10 0 BGAERO Cc1ccc(NC(=[NH2+])C2CC2)c(Cl)c1 ZINC000062989479 350099854 /nfs/dbraw/zinc/09/98/54/350099854.db2.gz TVPTULSKWKKRCR-UHFFFAOYSA-N 1 0 208.692 3.448 10 0 BGAERO [NH2+]=C(NCc1cccc(F)c1)C1CCCCC1 ZINC000062989490 181199088 /nfs/dbraw/zinc/19/90/88/181199088.db2.gz OSOSQXZPCMTRRX-UHFFFAOYSA-N 1 0 234.318 3.473 10 0 BGAERO [NH2+]=C(c1ccccc1)N1CCc2sccc2C1 ZINC000062989724 181206769 /nfs/dbraw/zinc/20/67/69/181206769.db2.gz VZQBLXHLRJBNLX-UHFFFAOYSA-N 1 0 242.347 3.132 10 0 BGAERO C[C@H](NC(=[NH2+])C1CCCCC1)c1ccncc1 ZINC000062990372 176784246 /nfs/dbraw/zinc/78/42/46/176784246.db2.gz GGLDNMQCJNGCTB-NSHDSACASA-N 1 0 231.343 3.290 10 0 BGAERO C[C@@H](NC(=[NH2+])C1CCCCC1)c1ccncc1 ZINC000062990373 175822768 /nfs/dbraw/zinc/82/27/68/175822768.db2.gz GGLDNMQCJNGCTB-LLVKDONJSA-N 1 0 231.343 3.290 10 0 BGAERO C[C@H](NC(=[NH2+])C(C)(C)C)c1cccs1 ZINC000062990424 350100128 /nfs/dbraw/zinc/10/01/28/350100128.db2.gz ZIJUUMINYNRLFX-QMMMGPOBSA-N 1 0 210.346 3.422 10 0 BGAERO C[C@@H](NC(=[NH2+])C(C)(C)C)c1cccs1 ZINC000062990425 350100226 /nfs/dbraw/zinc/10/02/26/350100226.db2.gz ZIJUUMINYNRLFX-MRVPVSSYSA-N 1 0 210.346 3.422 10 0 BGAERO CN(Cc1cccnc1)C(=[NH2+])C1CCCCC1 ZINC000062990690 172881933 /nfs/dbraw/zinc/88/19/33/172881933.db2.gz PUEBYFMFEWIUCV-UHFFFAOYSA-N 1 0 231.343 3.071 10 0 BGAERO [NH2+]=C(NCCCOc1ccccc1)C1CCCC1 ZINC000062990733 181199233 /nfs/dbraw/zinc/19/92/33/181199233.db2.gz GXBYAFTZUQNMNC-UHFFFAOYSA-N 1 0 246.354 3.213 10 0 BGAERO [NH2+]=C(N[C@H]1CCc2ccccc21)C1CCCC1 ZINC000062990902 181199893 /nfs/dbraw/zinc/19/98/93/181199893.db2.gz NLZBQSYASPBMCS-AWEZNQCLSA-N 1 0 228.339 3.431 10 0 BGAERO [NH2+]=C(N[C@@H]1CCc2ccccc21)C1CCCC1 ZINC000062990903 181200304 /nfs/dbraw/zinc/20/03/04/181200304.db2.gz NLZBQSYASPBMCS-CQSZACIVSA-N 1 0 228.339 3.431 10 0 BGAERO [NH2+]=C(N[C@H]1CCc2ccccc2C1)C1CCCC1 ZINC000062991154 181199576 /nfs/dbraw/zinc/19/95/76/181199576.db2.gz NWLAOMGYMBQPGP-HNNXBMFYSA-N 1 0 242.366 3.301 10 0 BGAERO [NH2+]=C(N[C@@H]1CCc2ccccc2C1)C1CCCC1 ZINC000062991155 181200147 /nfs/dbraw/zinc/20/01/47/181200147.db2.gz NWLAOMGYMBQPGP-OAHLLOKOSA-N 1 0 242.366 3.301 10 0 BGAERO Cc1ccc(CNC(=[NH2+])C(C)(C)C)s1 ZINC000062991220 350100787 /nfs/dbraw/zinc/10/07/87/350100787.db2.gz ZFTHWHGIHGJWIR-UHFFFAOYSA-N 1 0 210.346 3.169 10 0 BGAERO [NH2+]=C(N[C@@H]1CCOc2ccccc21)C1CCCC1 ZINC000062991368 181199722 /nfs/dbraw/zinc/19/97/22/181199722.db2.gz LTLCIBHJLOGYAK-CYBMUJFWSA-N 1 0 244.338 3.267 10 0 BGAERO [NH2+]=C(N[C@H]1CCOc2ccccc21)C1CCCC1 ZINC000062991369 181200386 /nfs/dbraw/zinc/20/03/86/181200386.db2.gz LTLCIBHJLOGYAK-ZDUSSCGKSA-N 1 0 244.338 3.267 10 0 BGAERO CCC(=[NH2+])N1CCc2sccc2[C@@H]1C ZINC000062991641 350111929 /nfs/dbraw/zinc/11/19/29/350111929.db2.gz OGSWPMDWJXDMGX-QMMMGPOBSA-N 1 0 208.330 3.054 10 0 BGAERO CCC(=[NH2+])N1CCc2sccc2[C@H]1C ZINC000062991642 350111684 /nfs/dbraw/zinc/11/16/84/350111684.db2.gz OGSWPMDWJXDMGX-MRVPVSSYSA-N 1 0 208.330 3.054 10 0 BGAERO COCCN(CC(C)C)C(=[NH2+])C1CCCCC1 ZINC000062991711 174287255 /nfs/dbraw/zinc/28/72/55/174287255.db2.gz CVZTXAIJLWBOFC-UHFFFAOYSA-N 1 0 240.391 3.148 10 0 BGAERO CCN(C[C@H]1CCCO1)C(=[NH2+])C1CCCCC1 ZINC000062991734 169896731 /nfs/dbraw/zinc/89/67/31/169896731.db2.gz ZBPZJSRVYCHNOP-CYBMUJFWSA-N 1 0 238.375 3.045 10 0 BGAERO COc1cccc(N(C)C(=[NH2+])C2CCCC2)c1 ZINC000062991849 175275526 /nfs/dbraw/zinc/27/55/26/175275526.db2.gz NJMABDDLTWZPPY-UHFFFAOYSA-N 1 0 232.327 3.299 10 0 BGAERO CCC(=[NH2+])N[C@@H](C)c1ccc(Cl)s1 ZINC000062991908 350111797 /nfs/dbraw/zinc/11/17/97/350111797.db2.gz WQCMZJMTCDIRIG-LURJTMIESA-N 1 0 216.737 3.439 10 0 BGAERO CCC(=[NH2+])N[C@H](C)c1ccc(Cl)s1 ZINC000062991909 350112646 /nfs/dbraw/zinc/11/26/46/350112646.db2.gz WQCMZJMTCDIRIG-ZCFIWIBFSA-N 1 0 216.737 3.439 10 0 BGAERO C[C@H](NC(=[NH2+])C1CC1)c1ccc(Cl)s1 ZINC000062991914 350112675 /nfs/dbraw/zinc/11/26/75/350112675.db2.gz CUYHSJXIMYQWDG-LURJTMIESA-N 1 0 228.748 3.439 10 0 BGAERO C[C@@H](NC(=[NH2+])C1CC1)c1ccc(Cl)s1 ZINC000062991915 350112586 /nfs/dbraw/zinc/11/25/86/350112586.db2.gz CUYHSJXIMYQWDG-ZCFIWIBFSA-N 1 0 228.748 3.439 10 0 BGAERO [NH2+]=C(NCc1ccc(F)c(F)c1)C1CCCC1 ZINC000062992177 181198509 /nfs/dbraw/zinc/19/85/09/181198509.db2.gz FZKYGIBYPKDBCW-UHFFFAOYSA-N 1 0 238.281 3.222 10 0 BGAERO CCC(=[NH2+])N[C@@H](C)c1cc(C)sc1C ZINC000062992256 350112769 /nfs/dbraw/zinc/11/27/69/350112769.db2.gz HYSPJGPOADPDBN-QMMMGPOBSA-N 1 0 210.346 3.403 10 0 BGAERO CCC(=[NH2+])N[C@H](C)c1cc(C)sc1C ZINC000062992257 350112856 /nfs/dbraw/zinc/11/28/56/350112856.db2.gz HYSPJGPOADPDBN-MRVPVSSYSA-N 1 0 210.346 3.403 10 0 BGAERO COc1ccc(CN(C)C(=[NH2+])C2CCCC2)cc1 ZINC000062992365 187784414 /nfs/dbraw/zinc/78/44/14/187784414.db2.gz ZRKPPZQSDPMBRO-UHFFFAOYSA-N 1 0 246.354 3.294 10 0 BGAERO COc1ccc(N(C)C(=[NH2+])C2CCCC2)cc1 ZINC000062992549 175135119 /nfs/dbraw/zinc/13/51/19/175135119.db2.gz DUHGJFGGYJSCQG-UHFFFAOYSA-N 1 0 232.327 3.299 10 0 BGAERO C[C@@H]1CN(C(=[NH2+])C2CCCCC2)CC(C)(C)O1 ZINC000062992650 176241276 /nfs/dbraw/zinc/24/12/76/176241276.db2.gz MSYPAMCFRCVHBS-LLVKDONJSA-N 1 0 238.375 3.043 10 0 BGAERO C[C@H]1CN(C(=[NH2+])C2CCCCC2)CC(C)(C)O1 ZINC000062992651 177211212 /nfs/dbraw/zinc/21/12/12/177211212.db2.gz MSYPAMCFRCVHBS-NSHDSACASA-N 1 0 238.375 3.043 10 0 BGAERO CCC(=[NH2+])N[C@@H](C)c1cccc(Cl)c1 ZINC000062992774 350112402 /nfs/dbraw/zinc/11/24/02/350112402.db2.gz KABCTZBMKFZERX-QMMMGPOBSA-N 1 0 210.708 3.378 10 0 BGAERO CCC(=[NH2+])N[C@H](C)c1cccc(Cl)c1 ZINC000062992775 350112684 /nfs/dbraw/zinc/11/26/84/350112684.db2.gz KABCTZBMKFZERX-MRVPVSSYSA-N 1 0 210.708 3.378 10 0 BGAERO CCC(=[NH2+])N[C@@H](C)c1ccccc1Cl ZINC000062992838 350112726 /nfs/dbraw/zinc/11/27/26/350112726.db2.gz FELKMOXPQKEGKJ-QMMMGPOBSA-N 1 0 210.708 3.378 10 0 BGAERO CCC(=[NH2+])N[C@H](C)c1ccccc1Cl ZINC000062992839 350112457 /nfs/dbraw/zinc/11/24/57/350112457.db2.gz FELKMOXPQKEGKJ-MRVPVSSYSA-N 1 0 210.708 3.378 10 0 BGAERO CCC(=[NH2+])Nc1ccc(Cl)c(F)c1 ZINC000062993285 350112812 /nfs/dbraw/zinc/11/28/12/350112812.db2.gz PZEFTWIUVYADEO-UHFFFAOYSA-N 1 0 200.644 3.278 10 0 BGAERO [NH2+]=C(Nc1ccc(Cl)c(F)c1)C1CC1 ZINC000062993288 350112636 /nfs/dbraw/zinc/11/26/36/350112636.db2.gz MFWYDUYNLVMJRF-UHFFFAOYSA-N 1 0 212.655 3.278 10 0 BGAERO Cc1ccc([C@@H](C)NC(=[NH2+])C(C)C)s1 ZINC000062993392 385916828 /nfs/dbraw/zinc/91/68/28/385916828.db2.gz LYZBLPNKXWAYML-SECBINFHSA-N 1 0 210.346 3.340 10 0 BGAERO Cc1ccc([C@H](C)NC(=[NH2+])C(C)C)s1 ZINC000062993393 385918008 /nfs/dbraw/zinc/91/80/08/385918008.db2.gz LYZBLPNKXWAYML-VIFPVBQESA-N 1 0 210.346 3.340 10 0 BGAERO CC[C@@H]1CO[C@H](C)CN1C(=[NH2+])C1CCCCC1 ZINC000062993452 171109499 /nfs/dbraw/zinc/10/94/99/171109499.db2.gz SWWADLOJRPTBHQ-DGCLKSJQSA-N 1 0 238.375 3.043 10 0 BGAERO CC[C@H]1CO[C@H](C)CN1C(=[NH2+])C1CCCCC1 ZINC000062993453 171673680 /nfs/dbraw/zinc/67/36/80/171673680.db2.gz SWWADLOJRPTBHQ-YPMHNXCESA-N 1 0 238.375 3.043 10 0 BGAERO [NH2+]=C(C1CCCC1)N(Cc1ccco1)C1CC1 ZINC000062993768 181185711 /nfs/dbraw/zinc/18/57/11/181185711.db2.gz AUOFOPRIYKCUHT-UHFFFAOYSA-N 1 0 232.327 3.411 10 0 BGAERO CCC(=[NH2+])Nc1ccc(Cl)cc1F ZINC000062993819 350112031 /nfs/dbraw/zinc/11/20/31/350112031.db2.gz GWJUUXUYJWEQCE-UHFFFAOYSA-N 1 0 200.644 3.278 10 0 BGAERO CCNC(=[NH2+])Cc1ccc(Cl)c(Cl)c1 ZINC000062994606 385918061 /nfs/dbraw/zinc/91/80/61/385918061.db2.gz QFCVYLISCIFGEM-UHFFFAOYSA-N 1 0 231.126 3.123 10 0 BGAERO CCNC(=[NH2+])Cc1c(Cl)cccc1Cl ZINC000062994612 385917063 /nfs/dbraw/zinc/91/70/63/385917063.db2.gz CBFZSUSFNGFCNM-UHFFFAOYSA-N 1 0 231.126 3.123 10 0 BGAERO CC(C)NC(=[NH2+])C1(c2ccccc2)CCCC1 ZINC000062994748 167035529 /nfs/dbraw/zinc/03/55/29/167035529.db2.gz MTMDHCPAZBPSMD-UHFFFAOYSA-N 1 0 230.355 3.474 10 0 BGAERO [NH2+]=C(NC1CC1)C1(c2ccccc2)CCCC1 ZINC000062994825 181197719 /nfs/dbraw/zinc/19/77/19/181197719.db2.gz PILBWBWSYWAMRT-UHFFFAOYSA-N 1 0 228.339 3.228 10 0 BGAERO CC(C)(C)NC(=[NH2+])c1ccc(Cl)cc1 ZINC000062994883 350111862 /nfs/dbraw/zinc/11/18/62/350111862.db2.gz SUVLOMHWFYUMBS-UHFFFAOYSA-N 1 0 210.708 3.053 10 0 BGAERO CN(C)C(=[NH2+])Cc1ccc(Cl)cc1Cl ZINC000062995180 350112042 /nfs/dbraw/zinc/11/20/42/350112042.db2.gz SWHBVWUVGNICGO-UHFFFAOYSA-N 1 0 231.126 3.075 10 0 BGAERO CN(C)C(=[NH2+])C1(c2ccccc2)CCCCC1 ZINC000062995206 172353014 /nfs/dbraw/zinc/35/30/14/172353014.db2.gz XMVMQCJQVLBXIJ-UHFFFAOYSA-N 1 0 230.355 3.427 10 0 BGAERO CN(C)C(=[NH2+])Cc1c(Cl)cccc1Cl ZINC000062995232 350111790 /nfs/dbraw/zinc/11/17/90/350111790.db2.gz YFJVCDIANBMPAP-UHFFFAOYSA-N 1 0 231.126 3.075 10 0 BGAERO [NH2+]=C(c1ccc2ccccc2c1)N1CCCC1 ZINC000062995350 181206920 /nfs/dbraw/zinc/20/69/20/181206920.db2.gz AYXIJPXZLXNEDB-UHFFFAOYSA-N 1 0 224.307 3.261 10 0 BGAERO [NH2+]=C(N1CCCC1)C1(c2ccccc2)CCC1 ZINC000062995389 181197318 /nfs/dbraw/zinc/19/73/18/181197318.db2.gz LKJYBMDJWNQQQW-UHFFFAOYSA-N 1 0 228.339 3.181 10 0 BGAERO [NH2+]=C(c1ccccc1Cl)N1CCCCC1 ZINC000062995420 181206208 /nfs/dbraw/zinc/20/62/08/181206208.db2.gz SMANOKQVJHEOOK-UHFFFAOYSA-N 1 0 222.719 3.151 10 0 BGAERO [NH2+]=C(N1CCCCC1)C1(c2ccccc2)CC1 ZINC000062995482 181198029 /nfs/dbraw/zinc/19/80/29/181198029.db2.gz AQRCZXJBGSXMFI-UHFFFAOYSA-N 1 0 228.339 3.181 10 0 BGAERO CC[NH+](CC)c1ccc(NC[C@H]2CCCO2)cc1 ZINC000062996204 169804089 /nfs/dbraw/zinc/80/40/89/169804089.db2.gz VXVYDTOCGXXICO-OAHLLOKOSA-N 1 0 248.370 3.124 10 0 BGAERO CC(C)[C@@H](C)NC1=[NH+][C@H](c2ccccc2)CS1 ZINC000063001057 167380308 /nfs/dbraw/zinc/38/03/08/167380308.db2.gz PBXXFOLWPPBQQN-YPMHNXCESA-N 1 0 248.395 3.465 10 0 BGAERO CC(C)[C@@H](C)NC1=[NH+][C@@H](c2ccccc2)CS1 ZINC000063001059 167379944 /nfs/dbraw/zinc/37/99/44/167379944.db2.gz PBXXFOLWPPBQQN-DGCLKSJQSA-N 1 0 248.395 3.465 10 0 BGAERO CC1(C)C[C@H]1NC1=[NH+][C@H](c2ccccc2)CS1 ZINC000063002856 188303980 /nfs/dbraw/zinc/30/39/80/188303980.db2.gz IKUILQHKXGUBKC-NWDGAFQWSA-N 1 0 246.379 3.219 10 0 BGAERO CCC[C@@H]1OC[C@@H](c2ccccc2)[NH2+][C@@H]1CC ZINC000063003373 169444509 /nfs/dbraw/zinc/44/45/09/169444509.db2.gz RMUVCLGTBMGXPO-ILXRZTDVSA-N 1 0 233.355 3.295 10 0 BGAERO Fc1cc([C@@H]2CCCCC[NH2+]2)cc(F)c1F ZINC000063004922 641117879 /nfs/dbraw/zinc/11/78/79/641117879.db2.gz ZKFHLBLPIHYEHU-NSHDSACASA-N 1 0 229.245 3.309 10 0 BGAERO Fc1cc([C@H]2CCCCC[NH2+]2)cc(F)c1F ZINC000063004923 641118963 /nfs/dbraw/zinc/11/89/63/641118963.db2.gz ZKFHLBLPIHYEHU-LLVKDONJSA-N 1 0 229.245 3.309 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1Cc1ccc(N)c(F)c1 ZINC000063011217 177116670 /nfs/dbraw/zinc/11/66/70/177116670.db2.gz BWIJHBWWBZPGLZ-PHIMTYICSA-N 1 0 236.334 3.171 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1ccc(N)c(F)c1 ZINC000063011218 177131967 /nfs/dbraw/zinc/13/19/67/177131967.db2.gz BWIJHBWWBZPGLZ-QWRGUYRKSA-N 1 0 236.334 3.171 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1ccc(N)c(F)c1 ZINC000063011219 176116561 /nfs/dbraw/zinc/11/65/61/176116561.db2.gz BWIJHBWWBZPGLZ-GHMZBOCLSA-N 1 0 236.334 3.171 10 0 BGAERO Nc1ccc(C[NH+]2CCCCCCC2)cc1F ZINC000063011227 181705992 /nfs/dbraw/zinc/70/59/92/181705992.db2.gz VJJGFHSGDWHWQB-UHFFFAOYSA-N 1 0 236.334 3.174 10 0 BGAERO CC[NH+](CC)CC(C)(C)[C@@H](N)c1ccccc1 ZINC000063018719 169770035 /nfs/dbraw/zinc/77/00/35/169770035.db2.gz ZQKHTTFUMBEDPW-AWEZNQCLSA-N 1 0 234.387 3.054 10 0 BGAERO CC(C)[N@H+](C)CC(C)(C)[C@@H](N)c1ccccc1 ZINC000063018769 188304085 /nfs/dbraw/zinc/30/40/85/188304085.db2.gz ROKWWZLQTGARDL-AWEZNQCLSA-N 1 0 234.387 3.053 10 0 BGAERO CC[C@H](C)[N@H+](C)CC(C)(C)[C@H](N)c1ccccc1 ZINC000063018831 171305225 /nfs/dbraw/zinc/30/52/25/171305225.db2.gz OPXPRYITFPZNHC-DZGCQCFKSA-N 1 0 248.414 3.443 10 0 BGAERO CCC[N@H+](C)CC(C)(C)[C@H](O)c1ccccc1 ZINC000063019663 169076759 /nfs/dbraw/zinc/07/67/59/169076759.db2.gz SFHFQXSNAZDBIK-CQSZACIVSA-N 1 0 235.371 3.088 10 0 BGAERO CCC[N@H+](C)CC(C)(C)[C@@H](O)c1ccccc1 ZINC000063019664 169074936 /nfs/dbraw/zinc/07/49/36/169074936.db2.gz SFHFQXSNAZDBIK-AWEZNQCLSA-N 1 0 235.371 3.088 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)c1ccccc1C(F)(F)F ZINC000063029100 176023751 /nfs/dbraw/zinc/02/37/51/176023751.db2.gz UQBSLKCKICAAGQ-HTQZYQBOSA-N 1 0 217.234 3.156 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)c1ccccc1C(F)(F)F ZINC000063029101 175813001 /nfs/dbraw/zinc/81/30/01/175813001.db2.gz UQBSLKCKICAAGQ-JGVFFNPUSA-N 1 0 217.234 3.156 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)c1ccccc1C(F)(F)F ZINC000063029102 385204697 /nfs/dbraw/zinc/20/46/97/385204697.db2.gz UQBSLKCKICAAGQ-SFYZADRCSA-N 1 0 217.234 3.156 10 0 BGAERO C[C@H](c1ccccc1C(F)(F)F)[C@H](C)[NH3+] ZINC000063029103 385205238 /nfs/dbraw/zinc/20/52/38/385205238.db2.gz UQBSLKCKICAAGQ-YUMQZZPRSA-N 1 0 217.234 3.156 10 0 BGAERO C[NH2+][C@H](Cc1nc2ccccc2s1)C(C)(C)C ZINC000063029686 173455172 /nfs/dbraw/zinc/45/51/72/173455172.db2.gz LQWIZAPITGFUIR-GFCCVEGCSA-N 1 0 248.395 3.473 10 0 BGAERO CCC[NH2+][C@@H](Cc1ncccc1C)C(C)(C)C ZINC000063030126 169279064 /nfs/dbraw/zinc/27/90/64/169279064.db2.gz HMLDDZWWKWJZKV-AWEZNQCLSA-N 1 0 234.387 3.347 10 0 BGAERO CCC[NH2+][C@H](Cc1ncccc1C)C(C)(C)C ZINC000063030127 169289820 /nfs/dbraw/zinc/28/98/20/169289820.db2.gz HMLDDZWWKWJZKV-CQSZACIVSA-N 1 0 234.387 3.347 10 0 BGAERO CCC[NH2+][C@@H](Cc1ccc(C)cn1)C(C)(C)C ZINC000063030154 169279302 /nfs/dbraw/zinc/27/93/02/169279302.db2.gz WMDHSMJHQAFKER-AWEZNQCLSA-N 1 0 234.387 3.347 10 0 BGAERO CCC[NH2+][C@H](Cc1ccc(C)cn1)C(C)(C)C ZINC000063030155 169290200 /nfs/dbraw/zinc/29/02/00/169290200.db2.gz WMDHSMJHQAFKER-CQSZACIVSA-N 1 0 234.387 3.347 10 0 BGAERO CC[NH2+][C@@H](CC)Cc1ccc2ccccc2n1 ZINC000063030572 170144254 /nfs/dbraw/zinc/14/42/54/170144254.db2.gz QROOYQKHGGNETO-ZDUSSCGKSA-N 1 0 228.339 3.165 10 0 BGAERO CC[NH2+][C@H](CC)Cc1ccc2ccccc2n1 ZINC000063030573 170160680 /nfs/dbraw/zinc/16/06/80/170160680.db2.gz QROOYQKHGGNETO-CYBMUJFWSA-N 1 0 228.339 3.165 10 0 BGAERO CC[NH2+][C@@H](CC)Cc1ccnc2ccccc12 ZINC000063030798 170143878 /nfs/dbraw/zinc/14/38/78/170143878.db2.gz ZDFUTQWZTKLLSX-ZDUSSCGKSA-N 1 0 228.339 3.165 10 0 BGAERO CC[NH2+][C@H](CC)Cc1ccnc2ccccc12 ZINC000063030799 170160860 /nfs/dbraw/zinc/16/08/60/170160860.db2.gz ZDFUTQWZTKLLSX-CYBMUJFWSA-N 1 0 228.339 3.165 10 0 BGAERO CC[NH2+][C@@H](Cc1nc2ccccc2s1)C(C)C ZINC000063031312 170146102 /nfs/dbraw/zinc/14/61/02/170146102.db2.gz FJANRBQTBCGXEX-LBPRGKRZSA-N 1 0 248.395 3.473 10 0 BGAERO CC[NH2+][C@H](Cc1nc2ccccc2s1)C(C)C ZINC000063031313 170162864 /nfs/dbraw/zinc/16/28/64/170162864.db2.gz FJANRBQTBCGXEX-GFCCVEGCSA-N 1 0 248.395 3.473 10 0 BGAERO CCC[C@@H](Cc1ccc2ccccc2n1)[NH2+]C ZINC000063031762 169385425 /nfs/dbraw/zinc/38/54/25/169385425.db2.gz VHWZXDKERVPFDX-ZDUSSCGKSA-N 1 0 228.339 3.165 10 0 BGAERO CCC[NH2+][C@@H](C)Cc1ccnc2ccccc12 ZINC000063034724 169274169 /nfs/dbraw/zinc/27/41/69/169274169.db2.gz GYQNUYHIMRYXMZ-LBPRGKRZSA-N 1 0 228.339 3.165 10 0 BGAERO CCC[NH2+][C@H](C)Cc1ccnc2ccccc12 ZINC000063034725 169286131 /nfs/dbraw/zinc/28/61/31/169286131.db2.gz GYQNUYHIMRYXMZ-GFCCVEGCSA-N 1 0 228.339 3.165 10 0 BGAERO CC[C@@H](c1nc2ccccc2s1)[C@@H](C)[NH3+] ZINC000063034750 350787299 /nfs/dbraw/zinc/78/72/99/350787299.db2.gz ONNBPSNZAXDYQH-RKDXNWHRSA-N 1 0 220.341 3.137 10 0 BGAERO CC[C@H](c1nc2ccccc2s1)[C@@H](C)[NH3+] ZINC000063034751 386567717 /nfs/dbraw/zinc/56/77/17/386567717.db2.gz ONNBPSNZAXDYQH-BDAKNGLRSA-N 1 0 220.341 3.137 10 0 BGAERO CC[C@@H](c1nc2ccccc2s1)[C@H](C)[NH3+] ZINC000063034752 170956829 /nfs/dbraw/zinc/95/68/29/170956829.db2.gz ONNBPSNZAXDYQH-DTWKUNHWSA-N 1 0 220.341 3.137 10 0 BGAERO CC[C@H](c1nc2ccccc2s1)[C@H](C)[NH3+] ZINC000063034753 386568319 /nfs/dbraw/zinc/56/83/19/386568319.db2.gz ONNBPSNZAXDYQH-IUCAKERBSA-N 1 0 220.341 3.137 10 0 BGAERO CC[C@@H](c1ncc(Cl)cc1Cl)[C@@H](C)[NH3+] ZINC000063034786 170956854 /nfs/dbraw/zinc/95/68/54/170956854.db2.gz ABXLFGBKOVDXRZ-HTRCEHHLSA-N 1 0 233.142 3.229 10 0 BGAERO Cc1[nH]c2ccc(NCc3ccoc3)cc2[nH+]1 ZINC000063047323 180096391 /nfs/dbraw/zinc/09/63/91/180096391.db2.gz IREQFRDRXMNVHU-UHFFFAOYSA-N 1 0 227.267 3.076 10 0 BGAERO Cc1cc([C@@H]2CCCCC[NH2+]2)ccc1F ZINC000063055918 641124163 /nfs/dbraw/zinc/12/41/63/641124163.db2.gz RKOURTYAPUVDFO-ZDUSSCGKSA-N 1 0 207.292 3.339 10 0 BGAERO Cc1cc([C@H]2CCCCC[NH2+]2)ccc1F ZINC000063055919 641123682 /nfs/dbraw/zinc/12/36/82/641123682.db2.gz RKOURTYAPUVDFO-CYBMUJFWSA-N 1 0 207.292 3.339 10 0 BGAERO Cc1cccc([C@@H]([C@@H](C)N)[N@@H+]2CCCC2(C)C)c1 ZINC000063065755 179188519 /nfs/dbraw/zinc/18/85/19/179188519.db2.gz PGFOQJNNXPGVMN-UKRRQHHQSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@H]([C@@H](C)N)[N@@H+]2CCCC2(C)C)c1 ZINC000063065756 179203232 /nfs/dbraw/zinc/20/32/32/179203232.db2.gz PGFOQJNNXPGVMN-HIFRSBDPSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@@H]([C@H](C)N)[N@@H+]2CCCC2(C)C)c1 ZINC000063065757 179188676 /nfs/dbraw/zinc/18/86/76/179188676.db2.gz PGFOQJNNXPGVMN-DZGCQCFKSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1cccc([C@H]([C@H](C)N)[N@@H+]2CCCC2(C)C)c1 ZINC000063065758 179203393 /nfs/dbraw/zinc/20/33/93/179203393.db2.gz PGFOQJNNXPGVMN-ZFWWWQNUSA-N 1 0 246.398 3.258 10 0 BGAERO CC[NH2+][C@@H]1CCCCC[C@@H]1N1CCCC1(C)C ZINC000063066666 170150290 /nfs/dbraw/zinc/15/02/90/170150290.db2.gz XDXUURVYJDXWAH-KGLIPLIRSA-N 1 0 238.419 3.172 10 0 BGAERO CC[NH2+][C@H]1CCCCC[C@@H]1N1CCCC1(C)C ZINC000063066667 170165996 /nfs/dbraw/zinc/16/59/96/170165996.db2.gz XDXUURVYJDXWAH-KBPBESRZSA-N 1 0 238.419 3.172 10 0 BGAERO CC[NH2+][C@@H]1CCCCC[C@H]1N1CCCC1(C)C ZINC000063066668 170151064 /nfs/dbraw/zinc/15/10/64/170151064.db2.gz XDXUURVYJDXWAH-ZIAGYGMSSA-N 1 0 238.419 3.172 10 0 BGAERO CC[NH2+][C@H]1CCCCC[C@H]1N1CCCC1(C)C ZINC000063066669 170165988 /nfs/dbraw/zinc/16/59/88/170165988.db2.gz XDXUURVYJDXWAH-UONOGXRCSA-N 1 0 238.419 3.172 10 0 BGAERO CCC[C@@H]([NH2+]CC)[C@@H](CC)N1CCCC1(C)C ZINC000063066737 169399958 /nfs/dbraw/zinc/39/99/58/169399958.db2.gz IPFVRTBGAKIATO-ZIAGYGMSSA-N 1 0 240.435 3.418 10 0 BGAERO CC(C)[C@H]1CC[C@H](N)[C@H]([N@@H+]2CCCC2(C)C)C1 ZINC000063066941 188185769 /nfs/dbraw/zinc/18/57/69/188185769.db2.gz NIJBNBSTNSLIIZ-MELADBBJSA-N 1 0 238.419 3.013 10 0 BGAERO C[C@@H]([NH3+])c1cc(F)ccc1N1CCCC1(C)C ZINC000063067456 175815493 /nfs/dbraw/zinc/81/54/93/175815493.db2.gz URFGXKZSPXWKEM-SNVBAGLBSA-N 1 0 236.334 3.224 10 0 BGAERO Cc1ccc(C(=O)C[N@@H+]2CCCC2(C)C)cc1 ZINC000063071704 178373534 /nfs/dbraw/zinc/37/35/34/178373534.db2.gz OLRIBBVNBQJEGH-UHFFFAOYSA-N 1 0 231.339 3.052 10 0 BGAERO Cc1cccc(C(=O)C[N@@H+]2CCCC2(C)C)c1 ZINC000063071712 179004074 /nfs/dbraw/zinc/00/40/74/179004074.db2.gz SNBHFBOQVOZATK-UHFFFAOYSA-N 1 0 231.339 3.052 10 0 BGAERO CC(C)[C@@H]1CC[C@H](O)[C@H]([N@@H+]2CCCC2(C)C)C1 ZINC000063072369 187273922 /nfs/dbraw/zinc/27/39/22/187273922.db2.gz SXNSSZAFZPSUNV-MCIONIFRSA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@H]1CC[C@@H](O)[C@H]([N@@H+]2CCCC2(C)C)C1 ZINC000063072372 188184800 /nfs/dbraw/zinc/18/48/00/188184800.db2.gz SXNSSZAFZPSUNV-BFHYXJOUSA-N 1 0 239.403 3.046 10 0 BGAERO CC[C@@H]1CCC(=O)[C@@H](C[N@@H+]2CCCC2(C)C)C1 ZINC000063073026 187273460 /nfs/dbraw/zinc/27/34/60/187273460.db2.gz VIKBBJWOQVEMTI-CHWSQXEVSA-N 1 0 237.387 3.256 10 0 BGAERO CC[C@H]1CCC(=O)[C@@H](C[N@@H+]2CCCC2(C)C)C1 ZINC000063073027 188304188 /nfs/dbraw/zinc/30/41/88/188304188.db2.gz VIKBBJWOQVEMTI-QWHCGFSZSA-N 1 0 237.387 3.256 10 0 BGAERO CC[NH2+]C[C@@H](c1ccccc1)N1CCCC1(C)C ZINC000063073981 170119724 /nfs/dbraw/zinc/11/97/24/170119724.db2.gz SPHPASYGCFNBDJ-HNNXBMFYSA-N 1 0 246.398 3.212 10 0 BGAERO CC[NH2+]C[C@H](c1ccccc1)N1CCCC1(C)C ZINC000063073982 170123060 /nfs/dbraw/zinc/12/30/60/170123060.db2.gz SPHPASYGCFNBDJ-OAHLLOKOSA-N 1 0 246.398 3.212 10 0 BGAERO C[C@@H](C[NH2+]C1CCCCC1)N1CCCC1(C)C ZINC000063074006 175730796 /nfs/dbraw/zinc/73/07/96/175730796.db2.gz FDLXMKXGGAIIID-ZDUSSCGKSA-N 1 0 238.419 3.172 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+]CCN2CCCC2(C)C)C1 ZINC000063074090 176143104 /nfs/dbraw/zinc/14/31/04/176143104.db2.gz GVPRKRFGQJIKJK-KGLIPLIRSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@H]1CCC[C@H]([NH2+]CCN2CCCC2(C)C)C1 ZINC000063074091 177137184 /nfs/dbraw/zinc/13/71/84/177137184.db2.gz GVPRKRFGQJIKJK-KBPBESRZSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@@H]1CCC[C@@H]([NH2+]CCN2CCCC2(C)C)C1 ZINC000063074092 176123147 /nfs/dbraw/zinc/12/31/47/176123147.db2.gz GVPRKRFGQJIKJK-ZIAGYGMSSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@H]1CCC[C@@H]([NH2+]CCN2CCCC2(C)C)C1 ZINC000063074093 188304329 /nfs/dbraw/zinc/30/43/29/188304329.db2.gz GVPRKRFGQJIKJK-UONOGXRCSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@H]1CCCC[C@@H]1[NH2+]CCN1CCCC1(C)C ZINC000063074122 177082656 /nfs/dbraw/zinc/08/26/56/177082656.db2.gz HRDBKQJCHKDSFJ-KBPBESRZSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@@H]1CCCC[C@H]1[NH2+]CCN1CCCC1(C)C ZINC000063074123 176088757 /nfs/dbraw/zinc/08/87/57/176088757.db2.gz HRDBKQJCHKDSFJ-ZIAGYGMSSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@H]1CCCC[C@H]1[NH2+]CCN1CCCC1(C)C ZINC000063074124 177088725 /nfs/dbraw/zinc/08/87/25/177088725.db2.gz HRDBKQJCHKDSFJ-UONOGXRCSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075888 351072523 /nfs/dbraw/zinc/07/25/23/351072523.db2.gz IOVOEMJCWWDMGP-LLVKDONJSA-N 1 0 200.285 3.035 10 0 BGAERO CCCC[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075903 351072231 /nfs/dbraw/zinc/07/22/31/351072231.db2.gz TUOSLZVVUYRZQP-LBPRGKRZSA-N 1 0 214.312 3.425 10 0 BGAERO CCCC[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075904 351072364 /nfs/dbraw/zinc/07/23/64/351072364.db2.gz TUOSLZVVUYRZQP-GFCCVEGCSA-N 1 0 214.312 3.425 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075909 351072811 /nfs/dbraw/zinc/07/28/11/351072811.db2.gz GVJBRQWYGRUISW-LBPRGKRZSA-N 1 0 214.312 3.281 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075910 351072258 /nfs/dbraw/zinc/07/22/58/351072258.db2.gz GVJBRQWYGRUISW-GFCCVEGCSA-N 1 0 214.312 3.281 10 0 BGAERO [NH3+][C@@H](c1ccccc1)c1ccc2ccccc2n1 ZINC000063075931 181566302 /nfs/dbraw/zinc/56/63/02/181566302.db2.gz FASFFZNSDWWLCE-INIZCTEOSA-N 1 0 234.302 3.283 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075963 351072372 /nfs/dbraw/zinc/07/23/72/351072372.db2.gz CDUOSFAKHAQBDZ-CYBMUJFWSA-N 1 0 214.312 3.281 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1ccc2ccccc2n1 ZINC000063075964 351072734 /nfs/dbraw/zinc/07/27/34/351072734.db2.gz CDUOSFAKHAQBDZ-ZDUSSCGKSA-N 1 0 214.312 3.281 10 0 BGAERO [NH3+][C@H](c1cccs1)c1ccc2ccccc2n1 ZINC000063075969 351072529 /nfs/dbraw/zinc/07/25/29/351072529.db2.gz JCYRILVGEYRCEA-AWEZNQCLSA-N 1 0 240.331 3.344 10 0 BGAERO [NH3+][C@@H](c1cccs1)c1ccc2ccccc2n1 ZINC000063075970 351072558 /nfs/dbraw/zinc/07/25/58/351072558.db2.gz JCYRILVGEYRCEA-CQSZACIVSA-N 1 0 240.331 3.344 10 0 BGAERO CC(C)C[C@H](C)N1C[C@H](CC[NH3+])c2ccccc21 ZINC000063126769 188304099 /nfs/dbraw/zinc/30/40/99/188304099.db2.gz VXEZESOHNIKVEK-KBPBESRZSA-N 1 0 246.398 3.374 10 0 BGAERO [NH3+]CC[C@@H]1CN(CC2CCCC2)c2ccccc21 ZINC000063127338 181406368 /nfs/dbraw/zinc/40/63/68/181406368.db2.gz VGUNRYRINOAIGE-CQSZACIVSA-N 1 0 244.382 3.129 10 0 BGAERO [NH3+]CC[C@H]1CN(CC2CCCC2)c2ccccc21 ZINC000063127341 181410757 /nfs/dbraw/zinc/41/07/57/181410757.db2.gz VGUNRYRINOAIGE-AWEZNQCLSA-N 1 0 244.382 3.129 10 0 BGAERO CCCCOCC[NH2+]CC1CCC(C)CC1 ZINC000063145220 357534345 /nfs/dbraw/zinc/53/43/45/357534345.db2.gz UMOWBVBXJOMDSL-UHFFFAOYSA-N 1 0 227.392 3.219 10 0 BGAERO CC1CCC(C[NH2+][C@@H]2CCCCC[C@@H]2O)CC1 ZINC000063145269 168157072 /nfs/dbraw/zinc/15/70/72/168157072.db2.gz LDJKDNXDXJWKIV-CVSAEHQPSA-N 1 0 239.403 3.096 10 0 BGAERO CC1CCC(C[NH2+][C@H]2CCCCC[C@@H]2O)CC1 ZINC000063145270 168157083 /nfs/dbraw/zinc/15/70/83/168157083.db2.gz LDJKDNXDXJWKIV-WUCCLRPBSA-N 1 0 239.403 3.096 10 0 BGAERO CC1CCC(C[NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000063145272 168156689 /nfs/dbraw/zinc/15/66/89/168156689.db2.gz LDJKDNXDXJWKIV-NEXFUWMNSA-N 1 0 239.403 3.096 10 0 BGAERO CC1CCC(C[NH2+][C@H]2CCCCC[C@H]2O)CC1 ZINC000063145274 168156061 /nfs/dbraw/zinc/15/60/61/168156061.db2.gz LDJKDNXDXJWKIV-PFSRBDOWSA-N 1 0 239.403 3.096 10 0 BGAERO CC1CCC(C[NH2+]CCc2ccccn2)CC1 ZINC000063145308 168155545 /nfs/dbraw/zinc/15/55/45/168155545.db2.gz ZWQFNYJFLBFSPH-UHFFFAOYSA-N 1 0 232.371 3.040 10 0 BGAERO CC1CCC(C[NH2+]CCc2ccncc2)CC1 ZINC000063145626 168154790 /nfs/dbraw/zinc/15/47/90/168154790.db2.gz ASLRJJRYVDFDKV-UHFFFAOYSA-N 1 0 232.371 3.040 10 0 BGAERO CC1CCC(C[N@@H+]2Cc3cccc(N)c3C2)CC1 ZINC000063146464 168152910 /nfs/dbraw/zinc/15/29/10/168152910.db2.gz DPSGICHOTNNUFB-UHFFFAOYSA-N 1 0 244.382 3.411 10 0 BGAERO CC1CCC(C[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CC1 ZINC000063146955 168154056 /nfs/dbraw/zinc/15/40/56/168154056.db2.gz NNXZKGLNRCSOCK-ZMYVRHLSSA-N 1 0 249.398 3.399 10 0 BGAERO c1cc(C[NH2+]Cc2ccc3c(c2)CCN3)cs1 ZINC000063147290 183352584 /nfs/dbraw/zinc/35/25/84/183352584.db2.gz JTLHPUHIMWAKMZ-UHFFFAOYSA-N 1 0 244.363 3.006 10 0 BGAERO C[NH2+]C[C@H]1CCCCN1[C@H](C)c1ccccc1C ZINC000063166457 173378074 /nfs/dbraw/zinc/37/80/74/173378074.db2.gz IJLVIMYXQWWLOG-HUUCEWRRSA-N 1 0 246.398 3.130 10 0 BGAERO C[NH2+]C[C@H]1CCCCN1[C@@H](C)c1ccccc1C ZINC000063166458 173378055 /nfs/dbraw/zinc/37/80/55/173378055.db2.gz IJLVIMYXQWWLOG-LSDHHAIUSA-N 1 0 246.398 3.130 10 0 BGAERO C[C@H]([NH3+])CCNc1ccnc2cc(Cl)ccc21 ZINC000063171638 387269739 /nfs/dbraw/zinc/26/97/39/387269739.db2.gz WWKXRDBGWPEHLI-VIFPVBQESA-N 1 0 249.745 3.037 10 0 BGAERO C[C@@H]([NH3+])CCNc1ccnc2cc(Cl)ccc21 ZINC000063171639 387269217 /nfs/dbraw/zinc/26/92/17/387269217.db2.gz WWKXRDBGWPEHLI-SECBINFHSA-N 1 0 249.745 3.037 10 0 BGAERO CC[C@H](C(C)C)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000063188193 171243228 /nfs/dbraw/zinc/24/32/28/171243228.db2.gz HDYBZQZSGIPUDA-RRFJBIMHSA-N 1 0 238.419 3.028 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000063191852 171295317 /nfs/dbraw/zinc/29/53/17/171295317.db2.gz NFDFGKWYPHXDNI-GBJTYRQASA-N 1 0 240.435 3.403 10 0 BGAERO CC[C@H](C)C[C@H](CC)[N@@H+]1CCCC[C@@H]1[C@@H](C)N ZINC000063191854 171299399 /nfs/dbraw/zinc/29/93/99/171299399.db2.gz NFDFGKWYPHXDNI-LJISPDSOSA-N 1 0 240.435 3.403 10 0 BGAERO Cc1ccc2ccn(CC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000063221740 178972087 /nfs/dbraw/zinc/97/20/87/178972087.db2.gz VWLKYPCHESUYID-AWEZNQCLSA-N 1 0 242.366 3.339 10 0 BGAERO Cc1ccc2ccn(CC[C@H]3CCC[NH2+]C3)c2c1 ZINC000063221741 178971462 /nfs/dbraw/zinc/97/14/62/178971462.db2.gz VWLKYPCHESUYID-CQSZACIVSA-N 1 0 242.366 3.339 10 0 BGAERO CC1CCC(C[NH2+]CCc2cccnc2)CC1 ZINC000063222521 168155680 /nfs/dbraw/zinc/15/56/80/168155680.db2.gz SZXRAJCISAVRTC-UHFFFAOYSA-N 1 0 232.371 3.040 10 0 BGAERO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C)CC1 ZINC000063309328 342875249 /nfs/dbraw/zinc/87/52/49/342875249.db2.gz VUTQQHKVCLKMND-WDEREUQCSA-N 1 0 249.358 3.130 10 0 BGAERO C(CC12CC3CC(CC(C3)C1)C2)[NH2+]C1CC1 ZINC000064873897 360745850 /nfs/dbraw/zinc/74/58/50/360745850.db2.gz SPGMSEIKGYTHLT-UHFFFAOYSA-N 1 0 219.372 3.345 10 0 BGAERO CCC/C=C/c1ccc(C[NH+]2CCCC2)cn1 ZINC000065396585 385306565 /nfs/dbraw/zinc/30/65/65/385306565.db2.gz UPVAWAUNJNRAIQ-QPJJXVBHSA-N 1 0 230.355 3.491 10 0 BGAERO [NH3+]Cc1ccc(OCCC2CCCCC2)cc1 ZINC000066057015 349869928 /nfs/dbraw/zinc/86/99/28/349869928.db2.gz WJBZBIPIMCERQD-UHFFFAOYSA-N 1 0 233.355 3.495 10 0 BGAERO C[NH2+]CC1(c2ccc(F)c(F)c2)CCCCC1 ZINC000066079858 173337903 /nfs/dbraw/zinc/33/79/03/173337903.db2.gz XRXPUZOKWCSSLL-UHFFFAOYSA-N 1 0 239.309 3.386 10 0 BGAERO Cc1ccc(-c2c[nH+]c(N)n2C(C)C)cc1 ZINC000066100983 178328870 /nfs/dbraw/zinc/32/88/70/178328870.db2.gz ISSPPFYDCUQWCV-UHFFFAOYSA-N 1 0 215.300 3.022 10 0 BGAERO C[C@H](C[NH2+]Cc1ccccc1)Oc1ccccc1 ZINC000066162439 176680874 /nfs/dbraw/zinc/68/08/74/176680874.db2.gz ZUAXUVCAYRIKHS-CQSZACIVSA-N 1 0 241.334 3.244 10 0 BGAERO CCC[NH2+]C[C@@H](C)Oc1c(C)cccc1C ZINC000066164354 169261030 /nfs/dbraw/zinc/26/10/30/169261030.db2.gz UOHPIKYXJOKBEY-CYBMUJFWSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+]C[C@H](C)Oc1c(C)cccc1C ZINC000066164355 169263963 /nfs/dbraw/zinc/26/39/63/169263963.db2.gz UOHPIKYXJOKBEY-ZDUSSCGKSA-N 1 0 221.344 3.070 10 0 BGAERO CCC[NH2+]CCCc1c[nH]c2ccc(F)cc12 ZINC000066258843 169258415 /nfs/dbraw/zinc/25/84/15/169258415.db2.gz DEEFEXAYMWHFED-UHFFFAOYSA-N 1 0 234.318 3.239 10 0 BGAERO CC[NH+](CC)CCc1c[nH]c2ccc(F)cc12 ZINC000066259003 385840223 /nfs/dbraw/zinc/84/02/23/385840223.db2.gz LBJIPBJDJFZKIQ-UHFFFAOYSA-N 1 0 234.318 3.191 10 0 BGAERO Cc1nc2cc(CC3CC[NH2+]CC3)ccc2s1 ZINC000066346631 180078014 /nfs/dbraw/zinc/07/80/14/180078014.db2.gz VKZRBORNQBPFSP-UHFFFAOYSA-N 1 0 246.379 3.147 10 0 BGAERO [NH3+]Cc1ccc2[nH]c(Cc3ccccc3)cc2c1 ZINC000066347706 383861984 /nfs/dbraw/zinc/86/19/84/383861984.db2.gz NOGIEXNFAHCQBM-UHFFFAOYSA-N 1 0 236.318 3.217 10 0 BGAERO CC(C)C[NH2+]Cc1csc(-c2ccco2)n1 ZINC000066608854 167010325 /nfs/dbraw/zinc/01/03/25/167010325.db2.gz WVUWYOVWFZDWTG-UHFFFAOYSA-N 1 0 236.340 3.149 10 0 BGAERO Cc1n[nH]c(C)c1-c1cccc([C@@H](C)[NH+](C)C)c1 ZINC000067757494 179817320 /nfs/dbraw/zinc/81/73/20/179817320.db2.gz UNYCGEWIBZPAKT-GFCCVEGCSA-N 1 0 243.354 3.316 10 0 BGAERO Cc1n[nH]c(C)c1-c1cccc([C@H](C)[NH+](C)C)c1 ZINC000067757497 179816587 /nfs/dbraw/zinc/81/65/87/179816587.db2.gz UNYCGEWIBZPAKT-LBPRGKRZSA-N 1 0 243.354 3.316 10 0 BGAERO [NH3+]C1CCC2(CC1)C1CC3CC(C1)CC2C3 ZINC000068249657 181342347 /nfs/dbraw/zinc/34/23/47/181342347.db2.gz VNTMIVFMVGTSHV-UHFFFAOYSA-N 1 0 219.372 3.330 10 0 BGAERO CCCn1cc(CC[NH3+])c2ccc(Cl)cc21 ZINC000068576890 383999728 /nfs/dbraw/zinc/99/97/28/383999728.db2.gz PCAWMGAVGXQAEU-UHFFFAOYSA-N 1 0 236.746 3.206 10 0 BGAERO C[C@H]([NH3+])c1ccc(SC(F)F)cc1 ZINC000068576933 176776513 /nfs/dbraw/zinc/77/65/13/176776513.db2.gz WXWQNZDMLQXMKZ-LURJTMIESA-N 1 0 203.257 3.021 10 0 BGAERO C[C@@H]([NH3+])c1ccc(SC(F)F)cc1 ZINC000068576935 383999721 /nfs/dbraw/zinc/99/97/21/383999721.db2.gz WXWQNZDMLQXMKZ-ZCFIWIBFSA-N 1 0 203.257 3.021 10 0 BGAERO CC[N@@H+]1CCCC[C@@H]1c1ccc(Cl)nc1 ZINC000068590767 343919572 /nfs/dbraw/zinc/91/95/72/343919572.db2.gz NUNGUNMCCLKYSF-LLVKDONJSA-N 1 0 224.735 3.282 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1ccc(Cl)nc1 ZINC000068590771 343919500 /nfs/dbraw/zinc/91/95/00/343919500.db2.gz NUNGUNMCCLKYSF-NSHDSACASA-N 1 0 224.735 3.282 10 0 BGAERO C[C@@H](C[C@@H](C[NH3+])c1ccccn1)c1ccccc1 ZINC000068591105 175766669 /nfs/dbraw/zinc/76/66/69/175766669.db2.gz CJYOEPILUIAHMM-ZFWWWQNUSA-N 1 0 240.350 3.318 10 0 BGAERO C[C@H](C[C@@H](C[NH3+])c1ccccn1)c1ccccc1 ZINC000068591109 384002730 /nfs/dbraw/zinc/00/27/30/384002730.db2.gz CJYOEPILUIAHMM-HIFRSBDPSA-N 1 0 240.350 3.318 10 0 BGAERO C[C@@H](C[C@H](C[NH3+])c1ccccn1)c1ccccc1 ZINC000068591112 384002083 /nfs/dbraw/zinc/00/20/83/384002083.db2.gz CJYOEPILUIAHMM-DZGCQCFKSA-N 1 0 240.350 3.318 10 0 BGAERO C[C@H](C[C@H](C[NH3+])c1ccccn1)c1ccccc1 ZINC000068591117 384001124 /nfs/dbraw/zinc/00/11/24/384001124.db2.gz CJYOEPILUIAHMM-UKRRQHHQSA-N 1 0 240.350 3.318 10 0 BGAERO C[C@@H](C[C@@H](C[NH3+])c1ccncc1)c1ccccc1 ZINC000068591360 384002111 /nfs/dbraw/zinc/00/21/11/384002111.db2.gz TVVIEDYJMOQCNQ-BBRMVZONSA-N 1 0 240.350 3.318 10 0 BGAERO C[C@H](C[C@@H](C[NH3+])c1ccncc1)c1ccccc1 ZINC000068591362 384001759 /nfs/dbraw/zinc/00/17/59/384001759.db2.gz TVVIEDYJMOQCNQ-CJNGLKHVSA-N 1 0 240.350 3.318 10 0 BGAERO C[C@@H](C[C@H](C[NH3+])c1ccncc1)c1ccccc1 ZINC000068591365 384002888 /nfs/dbraw/zinc/00/28/88/384002888.db2.gz TVVIEDYJMOQCNQ-XJKSGUPXSA-N 1 0 240.350 3.318 10 0 BGAERO C[C@H](C[C@H](C[NH3+])c1ccncc1)c1ccccc1 ZINC000068591370 384003334 /nfs/dbraw/zinc/00/33/34/384003334.db2.gz TVVIEDYJMOQCNQ-CZUORRHYSA-N 1 0 240.350 3.318 10 0 BGAERO C[C@H]1C(=O)[C@@H](C)[C@@H](C)[N@H+](Cc2ccccc2)[C@H]1C ZINC000068592657 176047506 /nfs/dbraw/zinc/04/75/06/176047506.db2.gz LPKQYIKVPAIMPD-LVEBTZEWSA-N 1 0 245.366 3.121 10 0 BGAERO C[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000068592660 176047181 /nfs/dbraw/zinc/04/71/81/176047181.db2.gz LPKQYIKVPAIMPD-XDQVBPFNSA-N 1 0 245.366 3.121 10 0 BGAERO C[C@H]1C(=O)[C@@H](C)[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000068592662 176047284 /nfs/dbraw/zinc/04/72/84/176047284.db2.gz LPKQYIKVPAIMPD-XJFOESAGSA-N 1 0 245.366 3.121 10 0 BGAERO C[C@@H]1[C@H](C)C(=O)[C@@H](C)[C@@H](C)[NH+]1Cc1ccccc1 ZINC000068592666 176047112 /nfs/dbraw/zinc/04/71/12/176047112.db2.gz LPKQYIKVPAIMPD-IGQOVBAYSA-N 1 0 245.366 3.121 10 0 BGAERO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000068838160 388809710 /nfs/dbraw/zinc/80/97/10/388809710.db2.gz VUTQQHKVCLKMND-MNOVXSKESA-N 1 0 249.358 3.130 10 0 BGAERO C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@H](C)CC1 ZINC000068838163 388809923 /nfs/dbraw/zinc/80/99/23/388809923.db2.gz VUTQQHKVCLKMND-QWRGUYRKSA-N 1 0 249.358 3.130 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1occc1Br ZINC000068982365 351320115 /nfs/dbraw/zinc/32/01/15/351320115.db2.gz MPHFLDKVJBRVLA-MRVPVSSYSA-N 1 0 232.121 3.088 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1occc1Br ZINC000068982368 351320080 /nfs/dbraw/zinc/32/00/80/351320080.db2.gz MPHFLDKVJBRVLA-QMMMGPOBSA-N 1 0 232.121 3.088 10 0 BGAERO C[NH2+][C@H](c1occc1Br)C(C)(C)C ZINC000068982617 351319994 /nfs/dbraw/zinc/31/99/94/351319994.db2.gz HTVWTBLORZQPDL-SECBINFHSA-N 1 0 246.148 3.349 10 0 BGAERO C[NH2+][C@@H](c1occc1Br)C(C)(C)C ZINC000068982619 351319699 /nfs/dbraw/zinc/31/96/99/351319699.db2.gz HTVWTBLORZQPDL-VIFPVBQESA-N 1 0 246.148 3.349 10 0 BGAERO [NH3+][C@@H](c1occc1Br)C1CCCC1 ZINC000068982657 351319923 /nfs/dbraw/zinc/31/99/23/351319923.db2.gz OMVIHPANHLOKJC-SECBINFHSA-N 1 0 244.132 3.232 10 0 BGAERO [NH3+][C@H](c1occc1Br)C1CCCC1 ZINC000068982660 351319988 /nfs/dbraw/zinc/31/99/88/351319988.db2.gz OMVIHPANHLOKJC-VIFPVBQESA-N 1 0 244.132 3.232 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1c1occc1Br ZINC000068983290 351320804 /nfs/dbraw/zinc/32/08/04/351320804.db2.gz RGYUVAGBSKIBKF-APPZFPTMSA-N 1 0 244.132 3.027 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H]1c1occc1Br ZINC000068983292 351320615 /nfs/dbraw/zinc/32/06/15/351320615.db2.gz RGYUVAGBSKIBKF-CBAPKCEASA-N 1 0 244.132 3.027 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1c1occc1Br ZINC000068983294 351320810 /nfs/dbraw/zinc/32/08/10/351320810.db2.gz RGYUVAGBSKIBKF-VXNVDRBHSA-N 1 0 244.132 3.027 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1c1occc1Br ZINC000068983297 351320450 /nfs/dbraw/zinc/32/04/50/351320450.db2.gz RGYUVAGBSKIBKF-IONNQARKSA-N 1 0 244.132 3.027 10 0 BGAERO [NH3+]Cc1cccc(Oc2ccccc2F)c1 ZINC000068983728 527260902 /nfs/dbraw/zinc/26/09/02/527260902.db2.gz KTKFASDZHMHEQP-UHFFFAOYSA-N 1 0 217.243 3.077 10 0 BGAERO CCCC[C@@H](CC)[NH2+]Cc1ccccn1 ZINC000068985609 168960579 /nfs/dbraw/zinc/96/05/79/168960579.db2.gz GAFWOAIYCLKDCP-GFCCVEGCSA-N 1 0 206.333 3.140 10 0 BGAERO CCCC[C@H](CC)[NH2+]Cc1ccccn1 ZINC000068985612 169000003 /nfs/dbraw/zinc/00/00/03/169000003.db2.gz GAFWOAIYCLKDCP-LBPRGKRZSA-N 1 0 206.333 3.140 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000068985987 388817583 /nfs/dbraw/zinc/81/75/83/388817583.db2.gz XVWSIBLJBQCQKM-AVGNSLFASA-N 1 0 213.365 3.112 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000068985994 388818025 /nfs/dbraw/zinc/81/80/25/388818025.db2.gz XVWSIBLJBQCQKM-AGIUHOORSA-N 1 0 213.365 3.112 10 0 BGAERO CCCC[C@@H](CC)[NH2+]CC[C@@H]1CCCO1 ZINC000068986880 490103205 /nfs/dbraw/zinc/10/32/05/490103205.db2.gz NGZVXPJQYNSWGU-OLZOCXBDSA-N 1 0 213.365 3.114 10 0 BGAERO CCCC[C@H](CC)[NH2+]CC[C@@H]1CCCO1 ZINC000068986882 490138190 /nfs/dbraw/zinc/13/81/90/490138190.db2.gz NGZVXPJQYNSWGU-STQMWFEESA-N 1 0 213.365 3.114 10 0 BGAERO CCCC[C@@H](CC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000068986906 398099316 /nfs/dbraw/zinc/09/93/16/398099316.db2.gz YJZGKSIEXYUFAS-ZIAGYGMSSA-N 1 0 226.408 3.029 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@@H]1CCCN(CC)C1 ZINC000068986910 348248391 /nfs/dbraw/zinc/24/83/91/348248391.db2.gz YJZGKSIEXYUFAS-UONOGXRCSA-N 1 0 226.408 3.029 10 0 BGAERO CCCC[C@@H](CC)[NH2+][C@H]1CCCN(CC)C1 ZINC000068986913 348248568 /nfs/dbraw/zinc/24/85/68/348248568.db2.gz YJZGKSIEXYUFAS-KGLIPLIRSA-N 1 0 226.408 3.029 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@H]1CCCN(CC)C1 ZINC000068986916 348248352 /nfs/dbraw/zinc/24/83/52/348248352.db2.gz YJZGKSIEXYUFAS-KBPBESRZSA-N 1 0 226.408 3.029 10 0 BGAERO CCC(C)(C)[N@H+](C)[C@H]1CCCCCC1=O ZINC000069000195 373103836 /nfs/dbraw/zinc/10/38/36/373103836.db2.gz KNVLELZVQPGNJH-NSHDSACASA-N 1 0 211.349 3.009 10 0 BGAERO C/C(=C/C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000069049623 388412910 /nfs/dbraw/zinc/41/29/10/388412910.db2.gz IYVDAYYCFKPCAE-DAXSKMNVSA-N 1 0 216.111 3.355 10 0 BGAERO C/C(=C/C[NH3+])c1cc(Cl)ccc1Cl ZINC000069049867 351347369 /nfs/dbraw/zinc/34/73/69/351347369.db2.gz NDVKHYCSBLPXOI-DAXSKMNVSA-N 1 0 216.111 3.355 10 0 BGAERO C/C(=C/C[NH3+])c1ccc(Cl)cc1Cl ZINC000069050253 351347216 /nfs/dbraw/zinc/34/72/16/351347216.db2.gz WKMOLEUZYGEYGO-DAXSKMNVSA-N 1 0 216.111 3.355 10 0 BGAERO [NH3+]C/C=C/c1ccc(-c2ccccc2)cc1 ZINC000069050288 181323930 /nfs/dbraw/zinc/32/39/30/181323930.db2.gz CNWOKXAGFMOOSL-SNAWJCMRSA-N 1 0 209.292 3.326 10 0 BGAERO C/C(=C/CC[NH3+])c1ccc(Cl)s1 ZINC000069050341 351347398 /nfs/dbraw/zinc/34/73/98/351347398.db2.gz RRMCDQVEPCCKHE-CLTKARDFSA-N 1 0 201.722 3.154 10 0 BGAERO [NH3+]CC/C=C/c1ccc(Cl)c(Cl)c1 ZINC000069050401 349938121 /nfs/dbraw/zinc/93/81/21/349938121.db2.gz INQYHAIZEFHIMG-HNQUOIGGSA-N 1 0 216.111 3.355 10 0 BGAERO [NH3+]CC/C=C/c1ccc(Cl)cc1Cl ZINC000069050601 351347170 /nfs/dbraw/zinc/34/71/70/351347170.db2.gz RLKGNMOWGFLBNA-HNQUOIGGSA-N 1 0 216.111 3.355 10 0 BGAERO c1ccc2c(c1)cncc2[C@@H]1CCCC[NH2+]1 ZINC000069630405 373554622 /nfs/dbraw/zinc/55/46/22/373554622.db2.gz SATCHHVQDCSAJU-AWEZNQCLSA-N 1 0 212.296 3.049 10 0 BGAERO c1ccc2c(c1)cncc2[C@H]1CCCC[NH2+]1 ZINC000069630408 373555256 /nfs/dbraw/zinc/55/52/56/373555256.db2.gz SATCHHVQDCSAJU-CQSZACIVSA-N 1 0 212.296 3.049 10 0 BGAERO Cc1ccsc1-c1csc([C@@H](C)[NH3+])n1 ZINC000069635956 359687578 /nfs/dbraw/zinc/68/75/78/359687578.db2.gz JCDMLOQBNLWMMI-SSDOTTSWSA-N 1 0 224.354 3.200 10 0 BGAERO Cc1ccsc1-c1csc([C@H](C)[NH3+])n1 ZINC000069635957 359688217 /nfs/dbraw/zinc/68/82/17/359688217.db2.gz JCDMLOQBNLWMMI-ZETCQYMHSA-N 1 0 224.354 3.200 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000069636159 179555042 /nfs/dbraw/zinc/55/50/42/179555042.db2.gz UZTYDDFIULFMSI-SRVKXCTJSA-N 1 0 239.384 3.275 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000069636165 384053931 /nfs/dbraw/zinc/05/39/31/384053931.db2.gz UZTYDDFIULFMSI-WOPDTQHZSA-N 1 0 239.384 3.275 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000069636569 490176863 /nfs/dbraw/zinc/17/68/63/490176863.db2.gz NSZLFZQOBLWSQN-TUAOUCFPSA-N 1 0 239.384 3.011 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000069636572 490177105 /nfs/dbraw/zinc/17/71/05/490177105.db2.gz NSZLFZQOBLWSQN-SRVKXCTJSA-N 1 0 239.384 3.011 10 0 BGAERO Cc1ccsc1[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000069636757 490177330 /nfs/dbraw/zinc/17/73/30/490177330.db2.gz CHBITXIANJKVBF-NEPJUHHUSA-N 1 0 239.384 3.276 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000069636759 490176948 /nfs/dbraw/zinc/17/69/48/490176948.db2.gz CHBITXIANJKVBF-RYUDHWBXSA-N 1 0 239.384 3.276 10 0 BGAERO CC(C)CC[C@H]([NH3+])c1cccc(F)c1F ZINC000069640900 359690468 /nfs/dbraw/zinc/69/04/68/359690468.db2.gz VSPNOKVAUGXLRT-NSHDSACASA-N 1 0 213.271 3.401 10 0 BGAERO CC(C)CC[C@@H]([NH3+])c1cccc(F)c1F ZINC000069640902 359690601 /nfs/dbraw/zinc/69/06/01/359690601.db2.gz VSPNOKVAUGXLRT-LLVKDONJSA-N 1 0 213.271 3.401 10 0 BGAERO C[C@@H](CC1CC1)[NH2+][C@H]1CCc2ccccc21 ZINC000069663353 359031784 /nfs/dbraw/zinc/03/17/84/359031784.db2.gz VBDUIQJSAZVALQ-NHYWBVRUSA-N 1 0 215.340 3.452 10 0 BGAERO C[C@H](CC1CC1)[NH2+][C@H]1CCc2ccccc21 ZINC000069663356 359031344 /nfs/dbraw/zinc/03/13/44/359031344.db2.gz VBDUIQJSAZVALQ-ABAIWWIYSA-N 1 0 215.340 3.452 10 0 BGAERO [NH3+]C1(CCc2ccsc2)CCCCC1 ZINC000069765724 373729727 /nfs/dbraw/zinc/72/97/27/373729727.db2.gz GEACAOHKKFHAPI-UHFFFAOYSA-N 1 0 209.358 3.342 10 0 BGAERO Clc1ccc(C[C@@H]2CCCCC[NH2+]2)s1 ZINC000069841823 343943824 /nfs/dbraw/zinc/94/38/24/343943824.db2.gz MXUPTEZXMVGGAI-VIFPVBQESA-N 1 0 229.776 3.476 10 0 BGAERO Clc1ccc(C[C@H]2CCCCC[NH2+]2)s1 ZINC000069841825 373852898 /nfs/dbraw/zinc/85/28/98/373852898.db2.gz MXUPTEZXMVGGAI-SECBINFHSA-N 1 0 229.776 3.476 10 0 BGAERO Brc1ccoc1[C@@H]1CCCCC[NH2+]1 ZINC000069841855 373853015 /nfs/dbraw/zinc/85/30/15/373853015.db2.gz TXWYPWDYSMCQKX-VIFPVBQESA-N 1 0 244.132 3.247 10 0 BGAERO Brc1ccoc1[C@H]1CCCCC[NH2+]1 ZINC000069841857 373853695 /nfs/dbraw/zinc/85/36/95/373853695.db2.gz TXWYPWDYSMCQKX-SECBINFHSA-N 1 0 244.132 3.247 10 0 BGAERO c1csc(CC[C@@H]2CCCCC[NH2+]2)c1 ZINC000069841890 373852592 /nfs/dbraw/zinc/85/25/92/373852592.db2.gz BFGAXPBBQPANPF-NSHDSACASA-N 1 0 209.358 3.213 10 0 BGAERO c1csc(CC[C@H]2CCCCC[NH2+]2)c1 ZINC000069841894 373853734 /nfs/dbraw/zinc/85/37/34/373853734.db2.gz BFGAXPBBQPANPF-LLVKDONJSA-N 1 0 209.358 3.213 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC000069890187 324983779 /nfs/dbraw/zinc/98/37/79/324983779.db2.gz KOCZMJSWDIOUKU-RDBSUJKOSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCO[C@H](C(C)C)C1)C(C)C ZINC000069890195 324983856 /nfs/dbraw/zinc/98/38/56/324983856.db2.gz KOCZMJSWDIOUKU-IHRRRGAJSA-N 1 0 227.392 3.214 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000069890915 323153439 /nfs/dbraw/zinc/15/34/39/323153439.db2.gz LBRIXYFUGPLGAY-SGMGOOAPSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@H]([NH2+][C@H]1CCO[C@@H](C)C1)C1CCCCC1 ZINC000069890918 323153471 /nfs/dbraw/zinc/15/34/71/323153471.db2.gz LBRIXYFUGPLGAY-OBJOEFQTSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](c2occc2Br)C1 ZINC000069940320 361162308 /nfs/dbraw/zinc/16/23/08/361162308.db2.gz MRUDWAMZDDNYGV-APPZFPTMSA-N 1 0 244.132 3.103 10 0 BGAERO C[C@H]1CC[NH2+][C@H](c2occc2Br)C1 ZINC000069940321 361162767 /nfs/dbraw/zinc/16/27/67/361162767.db2.gz MRUDWAMZDDNYGV-CBAPKCEASA-N 1 0 244.132 3.103 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](c2occc2Br)C1 ZINC000069940322 361162837 /nfs/dbraw/zinc/16/28/37/361162837.db2.gz MRUDWAMZDDNYGV-VXNVDRBHSA-N 1 0 244.132 3.103 10 0 BGAERO C[C@H]1CC[NH2+][C@@H](c2occc2Br)C1 ZINC000069940323 361162499 /nfs/dbraw/zinc/16/24/99/361162499.db2.gz MRUDWAMZDDNYGV-IONNQARKSA-N 1 0 244.132 3.103 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](CCc2ccsc2)C1 ZINC000069940694 361162760 /nfs/dbraw/zinc/16/27/60/361162760.db2.gz NGBSZAVMIYMRGC-ZYHUDNBSSA-N 1 0 209.358 3.069 10 0 BGAERO C[C@H]1CC[NH2+][C@H](CCc2ccsc2)C1 ZINC000069940695 361162448 /nfs/dbraw/zinc/16/24/48/361162448.db2.gz NGBSZAVMIYMRGC-CMPLNLGQSA-N 1 0 209.358 3.069 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](CCc2ccsc2)C1 ZINC000069940696 361162439 /nfs/dbraw/zinc/16/24/39/361162439.db2.gz NGBSZAVMIYMRGC-PWSUYJOCSA-N 1 0 209.358 3.069 10 0 BGAERO C[C@H]1CC[NH2+][C@@H](CCc2ccsc2)C1 ZINC000069940697 361160503 /nfs/dbraw/zinc/16/05/03/361160503.db2.gz NGBSZAVMIYMRGC-JQWIXIFHSA-N 1 0 209.358 3.069 10 0 BGAERO CC[C@@H]1CC[NH2+][C@H](Cc2ccsc2)C1 ZINC000069941074 361162513 /nfs/dbraw/zinc/16/25/13/361162513.db2.gz PAIQZTOCVXGVCB-PWSUYJOCSA-N 1 0 209.358 3.069 10 0 BGAERO CC[C@H]1CC[NH2+][C@H](Cc2ccsc2)C1 ZINC000069941075 361162693 /nfs/dbraw/zinc/16/26/93/361162693.db2.gz PAIQZTOCVXGVCB-JQWIXIFHSA-N 1 0 209.358 3.069 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@H](Cc2ccsc2)C1 ZINC000069941076 361162288 /nfs/dbraw/zinc/16/22/88/361162288.db2.gz PAIQZTOCVXGVCB-ZYHUDNBSSA-N 1 0 209.358 3.069 10 0 BGAERO CC[C@H]1CC[NH2+][C@@H](Cc2ccsc2)C1 ZINC000069941077 361162862 /nfs/dbraw/zinc/16/28/62/361162862.db2.gz PAIQZTOCVXGVCB-CMPLNLGQSA-N 1 0 209.358 3.069 10 0 BGAERO [NH3+][C@@H](Cc1ccc(Cl)s1)c1ccoc1 ZINC000069946297 374098459 /nfs/dbraw/zinc/09/84/59/374098459.db2.gz LNLWWQBMNNKMCG-VIFPVBQESA-N 1 0 227.716 3.237 10 0 BGAERO [NH3+][C@H](Cc1ccc(Cl)s1)c1ccoc1 ZINC000069946300 374098627 /nfs/dbraw/zinc/09/86/27/374098627.db2.gz LNLWWQBMNNKMCG-SECBINFHSA-N 1 0 227.716 3.237 10 0 BGAERO Cc1cc([C@@H](C)[NH3+])c(C)cc1Br ZINC000070021136 374112026 /nfs/dbraw/zinc/11/20/26/374112026.db2.gz QRLXGMLWDIRQJN-MRVPVSSYSA-N 1 0 228.133 3.086 10 0 BGAERO Cc1cc([C@H](C)[NH3+])c(C)cc1Br ZINC000070021139 374112411 /nfs/dbraw/zinc/11/24/11/374112411.db2.gz QRLXGMLWDIRQJN-QMMMGPOBSA-N 1 0 228.133 3.086 10 0 BGAERO CC[C@H]([NH3+])c1cc(C)c(Br)cc1C ZINC000070021272 343946727 /nfs/dbraw/zinc/94/67/27/343946727.db2.gz VPDRMOFKETYPPS-NSHDSACASA-N 1 0 242.160 3.476 10 0 BGAERO CC[C@@H]([NH3+])c1cc(C)c(Br)cc1C ZINC000070021274 374112700 /nfs/dbraw/zinc/11/27/00/374112700.db2.gz VPDRMOFKETYPPS-LLVKDONJSA-N 1 0 242.160 3.476 10 0 BGAERO C[NH2+][C@H](C)c1cc(C)c(Br)cc1C ZINC000070021347 343947055 /nfs/dbraw/zinc/94/70/55/343947055.db2.gz WVTMALPVBQZYQC-SECBINFHSA-N 1 0 242.160 3.346 10 0 BGAERO C[NH2+][C@@H](C)c1cc(C)c(Br)cc1C ZINC000070021353 343946788 /nfs/dbraw/zinc/94/67/88/343946788.db2.gz WVTMALPVBQZYQC-VIFPVBQESA-N 1 0 242.160 3.346 10 0 BGAERO CC[NH2+]Cc1cc(C)c(Br)cc1C ZINC000070021447 343946690 /nfs/dbraw/zinc/94/66/90/343946690.db2.gz KPDGXXXPFOOTOI-UHFFFAOYSA-N 1 0 242.160 3.175 10 0 BGAERO Cc1cc([C@H]([NH3+])C2CC2)c(C)cc1Cl ZINC000070023578 374112588 /nfs/dbraw/zinc/11/25/88/374112588.db2.gz HIDHQLSJUWQKRW-GFCCVEGCSA-N 1 0 209.720 3.367 10 0 BGAERO Cc1cc([C@@H]([NH3+])C2CC2)c(C)cc1Cl ZINC000070023579 374112779 /nfs/dbraw/zinc/11/27/79/374112779.db2.gz HIDHQLSJUWQKRW-LBPRGKRZSA-N 1 0 209.720 3.367 10 0 BGAERO Cc1cc(Cl)c(C)c2c1CCC[C@@H]2[NH3+] ZINC000070024162 343946830 /nfs/dbraw/zinc/94/68/30/343946830.db2.gz NVDGPMPNBJOBJQ-NSHDSACASA-N 1 0 209.720 3.293 10 0 BGAERO C[C@]1(c2ccc(Cl)s2)CCC[NH2+]C1 ZINC000070063908 361392775 /nfs/dbraw/zinc/39/27/75/361392775.db2.gz WBDNRZIJEZKWNP-JTQLQIEISA-N 1 0 215.749 3.043 10 0 BGAERO C[C@@]1(c2ccc(Cl)s2)CCC[NH2+]C1 ZINC000070063909 361393004 /nfs/dbraw/zinc/39/30/04/361393004.db2.gz WBDNRZIJEZKWNP-SNVBAGLBSA-N 1 0 215.749 3.043 10 0 BGAERO CC(C)c1ccc(C2(C[NH3+])CC(C)C2)cc1 ZINC000070068637 168138964 /nfs/dbraw/zinc/13/89/64/168138964.db2.gz IGXDFHLQQARYJN-UHFFFAOYSA-N 1 0 217.356 3.436 10 0 BGAERO CC1CC([NH3+])(c2c(F)cccc2Cl)C1 ZINC000070068657 361397927 /nfs/dbraw/zinc/39/79/27/361397927.db2.gz GSSANCQABORQIA-UHFFFAOYSA-N 1 0 213.683 3.063 10 0 BGAERO CC1CC([NH3+])(c2ccc(Br)cc2)C1 ZINC000070068659 361397811 /nfs/dbraw/zinc/39/78/11/361397811.db2.gz FZONPCUJDBHISI-UHFFFAOYSA-N 1 0 240.144 3.033 10 0 BGAERO CC1CC([NH3+])(c2cccc(Br)c2)C1 ZINC000070068679 361397887 /nfs/dbraw/zinc/39/78/87/361397887.db2.gz FDYSSNUCMAUSEF-UHFFFAOYSA-N 1 0 240.144 3.033 10 0 BGAERO CC1CC([NH3+])(c2ccccc2Br)C1 ZINC000070068688 361397820 /nfs/dbraw/zinc/39/78/20/361397820.db2.gz BMOYJTOBLKEKGH-UHFFFAOYSA-N 1 0 240.144 3.033 10 0 BGAERO CC1CC([NH3+])(c2ccc(F)cc2Cl)C1 ZINC000070068690 361397834 /nfs/dbraw/zinc/39/78/34/361397834.db2.gz ORDFVHIDUFBQES-UHFFFAOYSA-N 1 0 213.683 3.063 10 0 BGAERO CCC(CC)C[NH2+][C@@H]1COc2ccccc21 ZINC000070068819 323164105 /nfs/dbraw/zinc/16/41/05/323164105.db2.gz VOCDOGZRDWRQFQ-CYBMUJFWSA-N 1 0 219.328 3.146 10 0 BGAERO CCC(CC)C[NH2+][C@H]1COc2ccccc21 ZINC000070068820 323164059 /nfs/dbraw/zinc/16/40/59/323164059.db2.gz VOCDOGZRDWRQFQ-ZDUSSCGKSA-N 1 0 219.328 3.146 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@@H]1COc2ccccc21 ZINC000070068837 323164151 /nfs/dbraw/zinc/16/41/51/323164151.db2.gz XYAOSQXSFRUBRJ-DGCLKSJQSA-N 1 0 219.328 3.146 10 0 BGAERO CCC[C@H](C)C[NH2+][C@@H]1COc2ccccc21 ZINC000070068838 323164114 /nfs/dbraw/zinc/16/41/14/323164114.db2.gz XYAOSQXSFRUBRJ-WCQYABFASA-N 1 0 219.328 3.146 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@H]1COc2ccccc21 ZINC000070068839 323164180 /nfs/dbraw/zinc/16/41/80/323164180.db2.gz XYAOSQXSFRUBRJ-YPMHNXCESA-N 1 0 219.328 3.146 10 0 BGAERO CCC[C@H](C)C[NH2+][C@H]1COc2ccccc21 ZINC000070068840 323164159 /nfs/dbraw/zinc/16/41/59/323164159.db2.gz XYAOSQXSFRUBRJ-AAEUAGOBSA-N 1 0 219.328 3.146 10 0 BGAERO CC(C)C[C@@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070068853 323164193 /nfs/dbraw/zinc/16/41/93/323164193.db2.gz FALBYGOIXOOXLF-DGCLKSJQSA-N 1 0 219.328 3.144 10 0 BGAERO CC(C)C[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070068854 323164098 /nfs/dbraw/zinc/16/40/98/323164098.db2.gz FALBYGOIXOOXLF-WCQYABFASA-N 1 0 219.328 3.144 10 0 BGAERO CC(C)C[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070068855 323164243 /nfs/dbraw/zinc/16/42/43/323164243.db2.gz FALBYGOIXOOXLF-YPMHNXCESA-N 1 0 219.328 3.144 10 0 BGAERO CC(C)C[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070068856 323164205 /nfs/dbraw/zinc/16/42/05/323164205.db2.gz FALBYGOIXOOXLF-AAEUAGOBSA-N 1 0 219.328 3.144 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070068857 323164245 /nfs/dbraw/zinc/16/42/45/323164245.db2.gz ULQJOCXCJAZIQY-DGCLKSJQSA-N 1 0 219.328 3.288 10 0 BGAERO CCCC[C@H](C)[NH2+][C@@H]1COc2ccccc21 ZINC000070068858 323164133 /nfs/dbraw/zinc/16/41/33/323164133.db2.gz ULQJOCXCJAZIQY-WCQYABFASA-N 1 0 219.328 3.288 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070068859 323164373 /nfs/dbraw/zinc/16/43/73/323164373.db2.gz ULQJOCXCJAZIQY-YPMHNXCESA-N 1 0 219.328 3.288 10 0 BGAERO CCCC[C@H](C)[NH2+][C@H]1COc2ccccc21 ZINC000070068860 323164315 /nfs/dbraw/zinc/16/43/15/323164315.db2.gz ULQJOCXCJAZIQY-AAEUAGOBSA-N 1 0 219.328 3.288 10 0 BGAERO COc1ccc(C[C@]2(C)C[C@H]2C[NH2+]C(C)C)cc1 ZINC000070069821 188305317 /nfs/dbraw/zinc/30/53/17/188305317.db2.gz MIBWGJYMBUHWJL-GOEBONIOSA-N 1 0 247.382 3.262 10 0 BGAERO COc1ccc(C[C@]2(C)C[C@@H]2C[NH2+]C(C)C)cc1 ZINC000070069822 188130680 /nfs/dbraw/zinc/13/06/80/188130680.db2.gz MIBWGJYMBUHWJL-GDBMZVCRSA-N 1 0 247.382 3.262 10 0 BGAERO COc1ccc(C[C@@]2(C)C[C@H]2C[NH2+]C(C)C)cc1 ZINC000070069823 175116567 /nfs/dbraw/zinc/11/65/67/175116567.db2.gz MIBWGJYMBUHWJL-HOCLYGCPSA-N 1 0 247.382 3.262 10 0 BGAERO COc1ccc(C[C@@]2(C)C[C@@H]2C[NH2+]C(C)C)cc1 ZINC000070069824 175116604 /nfs/dbraw/zinc/11/66/04/175116604.db2.gz MIBWGJYMBUHWJL-ZBFHGGJFSA-N 1 0 247.382 3.262 10 0 BGAERO Cc1ccsc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070265 398125460 /nfs/dbraw/zinc/12/54/60/398125460.db2.gz FFVZOPGDDYKSQY-GFCCVEGCSA-N 1 0 245.347 3.280 10 0 BGAERO Cc1ccsc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070266 179550490 /nfs/dbraw/zinc/55/04/90/179550490.db2.gz FFVZOPGDDYKSQY-LBPRGKRZSA-N 1 0 245.347 3.280 10 0 BGAERO Cc1ccc(C[NH2+][C@@H]2COc3ccccc32)s1 ZINC000070070267 398125594 /nfs/dbraw/zinc/12/55/94/398125594.db2.gz UBJRGCSPHVNTPE-CYBMUJFWSA-N 1 0 245.347 3.280 10 0 BGAERO Cc1ccc(C[NH2+][C@H]2COc3ccccc32)s1 ZINC000070070268 384076785 /nfs/dbraw/zinc/07/67/85/384076785.db2.gz UBJRGCSPHVNTPE-ZDUSSCGKSA-N 1 0 245.347 3.280 10 0 BGAERO Fc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070281 359040375 /nfs/dbraw/zinc/04/03/75/359040375.db2.gz IUTQRVAALJPCBG-CQSZACIVSA-N 1 0 243.281 3.049 10 0 BGAERO Fc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070282 359040346 /nfs/dbraw/zinc/04/03/46/359040346.db2.gz IUTQRVAALJPCBG-AWEZNQCLSA-N 1 0 243.281 3.049 10 0 BGAERO Fc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070309 359040196 /nfs/dbraw/zinc/04/01/96/359040196.db2.gz VJMUXRCGVFSLMQ-CQSZACIVSA-N 1 0 243.281 3.049 10 0 BGAERO Fc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070310 359040309 /nfs/dbraw/zinc/04/03/09/359040309.db2.gz VJMUXRCGVFSLMQ-AWEZNQCLSA-N 1 0 243.281 3.049 10 0 BGAERO Cc1ccccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000070070317 179284852 /nfs/dbraw/zinc/28/48/52/179284852.db2.gz NBSHCFZESYVYLG-OAHLLOKOSA-N 1 0 239.318 3.218 10 0 BGAERO Cc1ccccc1C[NH2+][C@H]1COc2ccccc21 ZINC000070070318 179284669 /nfs/dbraw/zinc/28/46/69/179284669.db2.gz NBSHCFZESYVYLG-HNNXBMFYSA-N 1 0 239.318 3.218 10 0 BGAERO Cc1ccc(C[NH2+][C@@H]2COc3ccccc32)cc1 ZINC000070070319 384078550 /nfs/dbraw/zinc/07/85/50/384078550.db2.gz IJRSIEXTMSFERS-OAHLLOKOSA-N 1 0 239.318 3.218 10 0 BGAERO Cc1ccc(C[NH2+][C@H]2COc3ccccc32)cc1 ZINC000070070320 384077857 /nfs/dbraw/zinc/07/78/57/384077857.db2.gz IJRSIEXTMSFERS-HNNXBMFYSA-N 1 0 239.318 3.218 10 0 BGAERO Cc1cccc(C[NH2+][C@@H]2COc3ccccc32)c1 ZINC000070070323 179100623 /nfs/dbraw/zinc/10/06/23/179100623.db2.gz QDUDTBXPWHCLEG-OAHLLOKOSA-N 1 0 239.318 3.218 10 0 BGAERO Cc1cccc(C[NH2+][C@H]2COc3ccccc32)c1 ZINC000070070324 191002858 /nfs/dbraw/zinc/00/28/58/191002858.db2.gz QDUDTBXPWHCLEG-HNNXBMFYSA-N 1 0 239.318 3.218 10 0 BGAERO COc1cccc(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000070093291 175267233 /nfs/dbraw/zinc/26/72/33/175267233.db2.gz GRTMGOCWCAEXEZ-JTQLQIEISA-N 1 0 248.351 3.003 10 0 BGAERO COc1cccc(C[NH2+][C@H](C)c2cccs2)n1 ZINC000070093292 175268280 /nfs/dbraw/zinc/26/82/80/175268280.db2.gz GRTMGOCWCAEXEZ-SNVBAGLBSA-N 1 0 248.351 3.003 10 0 BGAERO CC[NH2+][C@H](CC1CC1)c1ccc(CCOC)cc1 ZINC000070141677 170161748 /nfs/dbraw/zinc/16/17/48/170161748.db2.gz WBRIMXOTIFZJIZ-MRXNPFEDSA-N 1 0 247.382 3.326 10 0 BGAERO CSCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000070184115 345453905 /nfs/dbraw/zinc/45/39/05/345453905.db2.gz HUDOSPIPHOLKKY-MNOVXSKESA-N 1 0 215.406 3.154 10 0 BGAERO CSCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000070184116 345454317 /nfs/dbraw/zinc/45/43/17/345454317.db2.gz HUDOSPIPHOLKKY-QWRGUYRKSA-N 1 0 215.406 3.154 10 0 BGAERO CSCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000070184117 345454322 /nfs/dbraw/zinc/45/43/22/345454322.db2.gz HUDOSPIPHOLKKY-GHMZBOCLSA-N 1 0 215.406 3.154 10 0 BGAERO CSCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000070184118 345453852 /nfs/dbraw/zinc/45/38/52/345453852.db2.gz HUDOSPIPHOLKKY-WDEREUQCSA-N 1 0 215.406 3.154 10 0 BGAERO CSCC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000070184181 323172107 /nfs/dbraw/zinc/17/21/07/323172107.db2.gz QEIFFXNRQWNORB-YNEHKIRRSA-N 1 0 229.433 3.400 10 0 BGAERO CSCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000070184182 323172115 /nfs/dbraw/zinc/17/21/15/323172115.db2.gz QEIFFXNRQWNORB-FRRDWIJNSA-N 1 0 229.433 3.400 10 0 BGAERO CSCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000070184183 323172140 /nfs/dbraw/zinc/17/21/40/323172140.db2.gz QEIFFXNRQWNORB-RWMBFGLXSA-N 1 0 229.433 3.400 10 0 BGAERO CC(C)CC[C@@H](C)[NH2+]CC(=O)Nc1ccccc1 ZINC000070185301 384087689 /nfs/dbraw/zinc/08/76/89/384087689.db2.gz MHQUUIQWKMAGBV-CYBMUJFWSA-N 1 0 248.370 3.039 10 0 BGAERO CC(C)CC[C@H](C)[NH2+]CC(=O)Nc1ccccc1 ZINC000070185302 343949139 /nfs/dbraw/zinc/94/91/39/343949139.db2.gz MHQUUIQWKMAGBV-ZDUSSCGKSA-N 1 0 248.370 3.039 10 0 BGAERO CCCCCC[NH2+]CC(=O)Nc1cccc(C)c1 ZINC000070192534 384085590 /nfs/dbraw/zinc/08/55/90/384085590.db2.gz MNLFPBKZTQLSKB-UHFFFAOYSA-N 1 0 248.370 3.103 10 0 BGAERO C[C@](O)(C[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000070259596 643008808 /nfs/dbraw/zinc/00/88/08/643008808.db2.gz NMJKJLKRBCVANM-INIZCTEOSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@@](O)(C[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000070259597 643008073 /nfs/dbraw/zinc/00/80/73/643008073.db2.gz NMJKJLKRBCVANM-MRXNPFEDSA-N 1 0 247.382 3.016 10 0 BGAERO Nc1cc[nH+]cc1-c1cccc(C(F)(F)F)c1 ZINC000070318391 384100548 /nfs/dbraw/zinc/10/05/48/384100548.db2.gz CHRAELMJXLIMJQ-UHFFFAOYSA-N 1 0 238.212 3.350 10 0 BGAERO Nc1cc[nH+]cc1-c1ccc(C(F)(F)F)cc1 ZINC000070318395 384100878 /nfs/dbraw/zinc/10/08/78/384100878.db2.gz YIZOOMZBAMWTCA-UHFFFAOYSA-N 1 0 238.212 3.350 10 0 BGAERO Nc1cc[nH+]cc1-c1ccccc1C(F)(F)F ZINC000070318410 384100691 /nfs/dbraw/zinc/10/06/91/384100691.db2.gz PDBQPEVFUARRGH-UHFFFAOYSA-N 1 0 238.212 3.350 10 0 BGAERO c1cc2cnccc2c([C@@H]2CCCCC[NH2+]2)c1 ZINC000070318498 374138271 /nfs/dbraw/zinc/13/82/71/374138271.db2.gz CNJFCTSGZUMVST-HNNXBMFYSA-N 1 0 226.323 3.440 10 0 BGAERO c1cc2cnccc2c([C@H]2CCCCC[NH2+]2)c1 ZINC000070318499 374138360 /nfs/dbraw/zinc/13/83/60/374138360.db2.gz CNJFCTSGZUMVST-OAHLLOKOSA-N 1 0 226.323 3.440 10 0 BGAERO c1ccc2c(c1)cncc2[C@@H]1CCCCC[NH2+]1 ZINC000070318516 374137786 /nfs/dbraw/zinc/13/77/86/374137786.db2.gz XQTJYHKHSRPXPV-HNNXBMFYSA-N 1 0 226.323 3.440 10 0 BGAERO c1ccc2c(c1)cncc2[C@H]1CCCCC[NH2+]1 ZINC000070318517 374137721 /nfs/dbraw/zinc/13/77/21/374137721.db2.gz XQTJYHKHSRPXPV-OAHLLOKOSA-N 1 0 226.323 3.440 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000070350185 188130642 /nfs/dbraw/zinc/13/06/42/188130642.db2.gz UQADNIMTBDRZGL-DVOMOZLQSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000070350187 384100810 /nfs/dbraw/zinc/10/08/10/384100810.db2.gz UQADNIMTBDRZGL-WWGRRREGSA-N 1 0 247.382 3.467 10 0 BGAERO CC(=O)[C@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000070376170 643021540 /nfs/dbraw/zinc/02/15/40/643021540.db2.gz TYGPCPQRHWODLU-WFASDCNBSA-N 1 0 231.339 3.049 10 0 BGAERO CC(=O)[C@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000070376171 643022094 /nfs/dbraw/zinc/02/20/94/643022094.db2.gz TYGPCPQRHWODLU-DOMZBBRYSA-N 1 0 231.339 3.049 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cnccn1 ZINC000070477541 179338661 /nfs/dbraw/zinc/33/86/61/179338661.db2.gz CYSHHCATQSGTBL-STQMWFEESA-N 1 0 241.338 3.197 10 0 BGAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000070528444 359058487 /nfs/dbraw/zinc/05/84/87/359058487.db2.gz MRRCTKAFJRDKCY-GXTWGEPZSA-N 1 0 229.323 3.066 10 0 BGAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@H]1CC=CCC1 ZINC000070528445 359058137 /nfs/dbraw/zinc/05/81/37/359058137.db2.gz MRRCTKAFJRDKCY-JSGCOSHPSA-N 1 0 229.323 3.066 10 0 BGAERO c1ccc2c(c1)OC[C@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000070528446 359057976 /nfs/dbraw/zinc/05/79/76/359057976.db2.gz MRRCTKAFJRDKCY-TZMCWYRMSA-N 1 0 229.323 3.066 10 0 BGAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C[C@@H]1CC=CCC1 ZINC000070528447 359058173 /nfs/dbraw/zinc/05/81/73/359058173.db2.gz MRRCTKAFJRDKCY-OCCSQVGLSA-N 1 0 229.323 3.066 10 0 BGAERO C[C@H]([NH2+][C@@H]1COc2ccccc21)C1CCCC1 ZINC000070528686 325014179 /nfs/dbraw/zinc/01/41/79/325014179.db2.gz ZQIQHBVMOKVNOB-SMDDNHRTSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]([NH2+][C@@H]1COc2ccccc21)C1CCCC1 ZINC000070528687 325014336 /nfs/dbraw/zinc/01/43/36/325014336.db2.gz ZQIQHBVMOKVNOB-BXUZGUMPSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@H]([NH2+][C@H]1COc2ccccc21)C1CCCC1 ZINC000070528688 325014323 /nfs/dbraw/zinc/01/43/23/325014323.db2.gz ZQIQHBVMOKVNOB-FZMZJTMJSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]([NH2+][C@H]1COc2ccccc21)C1CCCC1 ZINC000070528689 325014292 /nfs/dbraw/zinc/01/42/92/325014292.db2.gz ZQIQHBVMOKVNOB-RISCZKNCSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000070528825 134919979 /nfs/dbraw/zinc/91/99/79/134919979.db2.gz VCGRIPWRTKLBSN-MBNYWOFBSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]1CCC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000070528827 134920063 /nfs/dbraw/zinc/92/00/63/134920063.db2.gz VCGRIPWRTKLBSN-YRGRVCCFSA-N 1 0 231.339 3.288 10 0 BGAERO c1ccc2c(c1)OC[C@H]2[NH2+]C1CCCCCC1 ZINC000070529007 325014987 /nfs/dbraw/zinc/01/49/87/325014987.db2.gz HICNNBXKXOGWQX-CQSZACIVSA-N 1 0 231.339 3.433 10 0 BGAERO c1ccc2c(c1)OC[C@@H]2[NH2+]C1CCCCCC1 ZINC000070529008 325014938 /nfs/dbraw/zinc/01/49/38/325014938.db2.gz HICNNBXKXOGWQX-AWEZNQCLSA-N 1 0 231.339 3.433 10 0 BGAERO c1ccc2c(c1)OC[C@H]2[NH2+]CC1CCCCC1 ZINC000070529019 325015175 /nfs/dbraw/zinc/01/51/75/325015175.db2.gz YXXDCZMARYMOAQ-CQSZACIVSA-N 1 0 231.339 3.290 10 0 BGAERO c1ccc2c(c1)OC[C@@H]2[NH2+]CC1CCCCC1 ZINC000070529020 325014933 /nfs/dbraw/zinc/01/49/33/325014933.db2.gz YXXDCZMARYMOAQ-AWEZNQCLSA-N 1 0 231.339 3.290 10 0 BGAERO CC(C)(C)CC[NH2+][C@@H]1COc2ccccc21 ZINC000070529347 325015139 /nfs/dbraw/zinc/01/51/39/325015139.db2.gz SZSBBVCPAGUPQJ-GFCCVEGCSA-N 1 0 219.328 3.146 10 0 BGAERO CC(C)(C)CC[NH2+][C@H]1COc2ccccc21 ZINC000070529348 325014952 /nfs/dbraw/zinc/01/49/52/325014952.db2.gz SZSBBVCPAGUPQJ-LBPRGKRZSA-N 1 0 219.328 3.146 10 0 BGAERO CC1CCC(CC[NH2+]Cc2ccc[nH]2)CC1 ZINC000070532254 537870088 /nfs/dbraw/zinc/87/00/88/537870088.db2.gz JEQSPTCQMRZXMX-UHFFFAOYSA-N 1 0 220.360 3.321 10 0 BGAERO CC1CCC(CC[NH2+]Cc2cncs2)CC1 ZINC000070532276 537870103 /nfs/dbraw/zinc/87/01/03/537870103.db2.gz AQBXLTLNQRJATC-UHFFFAOYSA-N 1 0 238.400 3.449 10 0 BGAERO C[C@H]1CCC[C@H](CC[NH2+]CC2CCOCC2)C1 ZINC000070537445 134921166 /nfs/dbraw/zinc/92/11/66/134921166.db2.gz OGDCXWATGRXURH-UONOGXRCSA-N 1 0 239.403 3.219 10 0 BGAERO C[C@H]1CCC[C@@H](CC[NH2+]CC2CCOCC2)C1 ZINC000070537447 134920912 /nfs/dbraw/zinc/92/09/12/134920912.db2.gz OGDCXWATGRXURH-KBPBESRZSA-N 1 0 239.403 3.219 10 0 BGAERO CC1CCC(CC[NH2+]Cc2ccncc2)CC1 ZINC000070538535 643445527 /nfs/dbraw/zinc/44/55/27/643445527.db2.gz XHDITLVEWMNHCU-UHFFFAOYSA-N 1 0 232.371 3.388 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](c2nc(C3CCCCC3)no2)C1 ZINC000070557305 181646762 /nfs/dbraw/zinc/64/67/62/181646762.db2.gz BIRITSAOAHVIEW-NEPJUHHUSA-N 1 0 249.358 3.102 10 0 BGAERO [NH3+][C@H]1CCC[C@H](c2nc(C3CCCCC3)no2)C1 ZINC000070557306 181648296 /nfs/dbraw/zinc/64/82/96/181648296.db2.gz BIRITSAOAHVIEW-RYUDHWBXSA-N 1 0 249.358 3.102 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](c2nc(C3CCCCC3)no2)C1 ZINC000070557307 643041662 /nfs/dbraw/zinc/04/16/62/643041662.db2.gz BIRITSAOAHVIEW-VXGBXAGGSA-N 1 0 249.358 3.102 10 0 BGAERO CC[C@@H]1CCC[C@H](NCC(F)(F)F)C1 ZINC000070562089 323200379 /nfs/dbraw/zinc/20/03/79/323200379.db2.gz RJYDKWIGCCBXBV-BDAKNGLRSA-N 1 0 209.255 3.107 10 0 BGAERO CC[C@H]1CCC[C@H](NCC(F)(F)F)C1 ZINC000070562090 323200429 /nfs/dbraw/zinc/20/04/29/323200429.db2.gz RJYDKWIGCCBXBV-IUCAKERBSA-N 1 0 209.255 3.107 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000070562769 345775722 /nfs/dbraw/zinc/77/57/22/345775722.db2.gz QQXRAGNJNWTCPB-RDBSUJKOSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000070562771 345775773 /nfs/dbraw/zinc/77/57/73/345775773.db2.gz QQXRAGNJNWTCPB-MCIONIFRSA-N 1 0 225.376 3.114 10 0 BGAERO CCc1ccc(N(C)C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070578679 517847242 /nfs/dbraw/zinc/84/72/42/517847242.db2.gz UVMBCUOLNRPKKM-GJZGRUSLSA-N 1 0 246.398 3.203 10 0 BGAERO CC(C)c1ccc([C@@H]2C[NH2+][C@H](C)C2)cc1 ZINC000070586574 517487299 /nfs/dbraw/zinc/48/72/99/517487299.db2.gz ZDHAFABZMATURN-RISCZKNCSA-N 1 0 203.329 3.275 10 0 BGAERO CC(C)c1ccc([C@@H]2C[NH2+][C@@H](C)C2)cc1 ZINC000070586575 167614722 /nfs/dbraw/zinc/61/47/22/167614722.db2.gz ZDHAFABZMATURN-FZMZJTMJSA-N 1 0 203.329 3.275 10 0 BGAERO C[C@@H]1C[C@H](c2cccc(Cl)c2Cl)C[NH2+]1 ZINC000070586578 361572527 /nfs/dbraw/zinc/57/25/27/361572527.db2.gz HYGCKRUDPXRPSH-SFYZADRCSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@H]1C[C@H](c2cccc(Cl)c2Cl)C[NH2+]1 ZINC000070586579 361572530 /nfs/dbraw/zinc/57/25/30/361572530.db2.gz HYGCKRUDPXRPSH-YUMQZZPRSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@@H]1C[C@@H](c2cccc(Cl)c2Cl)C[NH2+]1 ZINC000070586580 361572339 /nfs/dbraw/zinc/57/23/39/361572339.db2.gz HYGCKRUDPXRPSH-HTQZYQBOSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@H]1C[C@@H](c2cccc(Cl)c2Cl)C[NH2+]1 ZINC000070586581 361572312 /nfs/dbraw/zinc/57/23/12/361572312.db2.gz HYGCKRUDPXRPSH-JGVFFNPUSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@@H]1C[C@H](c2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000070586678 361575265 /nfs/dbraw/zinc/57/52/65/361575265.db2.gz RDHUIRLVERZWMS-SFYZADRCSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@H]1C[C@H](c2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000070586679 187274421 /nfs/dbraw/zinc/27/44/21/187274421.db2.gz RDHUIRLVERZWMS-YUMQZZPRSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@@H]1C[C@@H](c2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000070586680 387991266 /nfs/dbraw/zinc/99/12/66/387991266.db2.gz RDHUIRLVERZWMS-HTQZYQBOSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@H]1C[C@@H](c2ccc(Cl)cc2Cl)C[NH2+]1 ZINC000070586681 177338235 /nfs/dbraw/zinc/33/82/35/177338235.db2.gz RDHUIRLVERZWMS-JGVFFNPUSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@@H]1C[C@H](c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000070586682 361575517 /nfs/dbraw/zinc/57/55/17/361575517.db2.gz GLXPQDUEJNWMQD-SFYZADRCSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@H]1C[C@H](c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000070586683 361575490 /nfs/dbraw/zinc/57/54/90/361575490.db2.gz GLXPQDUEJNWMQD-YUMQZZPRSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@@H]1C[C@@H](c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000070586684 361575370 /nfs/dbraw/zinc/57/53/70/361575370.db2.gz GLXPQDUEJNWMQD-HTQZYQBOSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@H]1C[C@@H](c2c(Cl)cccc2Cl)C[NH2+]1 ZINC000070586685 361575359 /nfs/dbraw/zinc/57/53/59/361575359.db2.gz GLXPQDUEJNWMQD-JGVFFNPUSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000070586770 188304635 /nfs/dbraw/zinc/30/46/35/188304635.db2.gz WMYXQKPEWNYQMP-APPZFPTMSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000070586771 188304591 /nfs/dbraw/zinc/30/45/91/188304591.db2.gz WMYXQKPEWNYQMP-CBAPKCEASA-N 1 0 230.138 3.459 10 0 BGAERO C[C@@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000070586772 361576610 /nfs/dbraw/zinc/57/66/10/361576610.db2.gz WMYXQKPEWNYQMP-VXNVDRBHSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@H]1C[C@@H](c2ccc(Cl)c(Cl)c2)C[NH2+]1 ZINC000070586773 177338465 /nfs/dbraw/zinc/33/84/65/177338465.db2.gz WMYXQKPEWNYQMP-IONNQARKSA-N 1 0 230.138 3.459 10 0 BGAERO C[C@@H]1C[C@@H](c2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC000070586872 187275185 /nfs/dbraw/zinc/27/51/85/187275185.db2.gz LGKFIYCUSLWCPY-DGCLKSJQSA-N 1 0 217.356 3.450 10 0 BGAERO C[C@H]1C[C@@H](c2ccc(C(C)(C)C)cc2)C[NH2+]1 ZINC000070586873 177338497 /nfs/dbraw/zinc/33/84/97/177338497.db2.gz LGKFIYCUSLWCPY-WCQYABFASA-N 1 0 217.356 3.450 10 0 BGAERO C[C@@H]1C[C@H](c2ccc(Cl)s2)[C@H](C)[NH2+]1 ZINC000070586926 361577625 /nfs/dbraw/zinc/57/76/25/361577625.db2.gz DTYOAOPKEIMNAK-CSMHCCOUSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@@H](c2ccc(Cl)s2)[C@H](C)[NH2+]1 ZINC000070586928 361577780 /nfs/dbraw/zinc/57/77/80/361577780.db2.gz DTYOAOPKEIMNAK-GJMOJQLCSA-N 1 0 215.749 3.255 10 0 BGAERO Cc1ccc(OCCCCCC[NH3+])cc1C ZINC000070596664 178811527 /nfs/dbraw/zinc/81/15/27/178811527.db2.gz IKPVOCUFRISXDU-UHFFFAOYSA-N 1 0 221.344 3.201 10 0 BGAERO CC(C)[C@H]([NH3+])c1cc(Br)cs1 ZINC000070598984 384123808 /nfs/dbraw/zinc/12/38/08/384123808.db2.gz NRPRZSLMFWJVMD-QMMMGPOBSA-N 1 0 234.162 3.166 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cc(Br)cs1 ZINC000070598985 384125374 /nfs/dbraw/zinc/12/53/74/384125374.db2.gz NRPRZSLMFWJVMD-MRVPVSSYSA-N 1 0 234.162 3.166 10 0 BGAERO [NH2+]=C1CCCCN1Cc1ccc(Cl)s1 ZINC000070600628 361582525 /nfs/dbraw/zinc/58/25/25/361582525.db2.gz PSPRAEXRZXPTSR-UHFFFAOYSA-N 1 0 228.748 3.365 10 0 BGAERO Clc1ccc(CNc2cc[nH+]cc2)s1 ZINC000070600660 388050771 /nfs/dbraw/zinc/05/07/71/388050771.db2.gz XUPACNVXOXTFHK-UHFFFAOYSA-N 1 0 224.716 3.409 10 0 BGAERO CC(C)C(=[NH2+])NCc1ccc(Cl)s1 ZINC000070600945 361585338 /nfs/dbraw/zinc/58/53/38/361585338.db2.gz SAZQKVFRAFZIDQ-UHFFFAOYSA-N 1 0 216.737 3.124 10 0 BGAERO Cc1ccccc1-c1csc(C[NH3+])c1 ZINC000070601089 361586752 /nfs/dbraw/zinc/58/67/52/361586752.db2.gz KCKPZHWDHHSBBS-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO Cc1cccc(-c2csc(C[NH3+])c2)c1 ZINC000070601098 361586844 /nfs/dbraw/zinc/58/68/44/361586844.db2.gz MYVUATCVUPWCIO-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO [NH3+]Cc1cc(-c2ccccc2F)cs1 ZINC000070601122 361587727 /nfs/dbraw/zinc/58/77/27/361587727.db2.gz HLDWYACVJUVGKW-UHFFFAOYSA-N 1 0 207.273 3.013 10 0 BGAERO CC(C)Oc1ccc([C@@H](C)[NH3+])c(Cl)c1 ZINC000070602894 167299966 /nfs/dbraw/zinc/29/99/66/167299966.db2.gz OXNIHAKSCSSGRF-MRVPVSSYSA-N 1 0 213.708 3.147 10 0 BGAERO CC(C)Oc1ccc([C@H](C)[NH3+])c(Cl)c1 ZINC000070602895 167301257 /nfs/dbraw/zinc/30/12/57/167301257.db2.gz OXNIHAKSCSSGRF-QMMMGPOBSA-N 1 0 213.708 3.147 10 0 BGAERO CCCOc1ccc([C@@H](C)[NH3+])c(Cl)c1 ZINC000070602927 169321042 /nfs/dbraw/zinc/32/10/42/169321042.db2.gz RUGDWJNGQFGGSC-MRVPVSSYSA-N 1 0 213.708 3.149 10 0 BGAERO CCCOc1ccc([C@H](C)[NH3+])c(Cl)c1 ZINC000070602928 169321345 /nfs/dbraw/zinc/32/13/45/169321345.db2.gz RUGDWJNGQFGGSC-QMMMGPOBSA-N 1 0 213.708 3.149 10 0 BGAERO CCSc1ccc([C@@H](C)[NH3+])c(Cl)c1 ZINC000070602978 361589537 /nfs/dbraw/zinc/58/95/37/361589537.db2.gz RWCMXXOKGVAUPZ-SSDOTTSWSA-N 1 0 215.749 3.472 10 0 BGAERO CSc1ccc([C@H](C)[NH3+])c(Cl)c1 ZINC000070603031 361589655 /nfs/dbraw/zinc/58/96/55/361589655.db2.gz OFMJKSIRWBHEBT-LURJTMIESA-N 1 0 201.722 3.082 10 0 BGAERO CSc1ccc([C@@H](C)[NH3+])c(Cl)c1 ZINC000070603032 361589444 /nfs/dbraw/zinc/58/94/44/361589444.db2.gz OFMJKSIRWBHEBT-ZCFIWIBFSA-N 1 0 201.722 3.082 10 0 BGAERO C[C@]1(c2nc3cc(F)ccc3s2)CCC[NH2+]1 ZINC000070617867 177481850 /nfs/dbraw/zinc/48/18/50/177481850.db2.gz BPTLKMZBFBQEGK-GFCCVEGCSA-N 1 0 236.315 3.034 10 0 BGAERO C[C@@]1(c2nc3cc(F)ccc3s2)CCC[NH2+]1 ZINC000070617868 176548811 /nfs/dbraw/zinc/54/88/11/176548811.db2.gz BPTLKMZBFBQEGK-LBPRGKRZSA-N 1 0 236.315 3.034 10 0 BGAERO C[C@]1(c2nc3cc(Cl)ccc3o2)CCC[NH2+]1 ZINC000070617952 177481264 /nfs/dbraw/zinc/48/12/64/177481264.db2.gz WUCWWLOOFVQBAP-GFCCVEGCSA-N 1 0 236.702 3.080 10 0 BGAERO CC(C)(C)[NH2+]CCc1c[nH]c2ccccc12 ZINC000070631123 166632332 /nfs/dbraw/zinc/63/23/32/166632332.db2.gz IDXHHISJIRGWJV-UHFFFAOYSA-N 1 0 216.328 3.099 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1nccs1)C(C)C ZINC000070634111 383948887 /nfs/dbraw/zinc/94/88/87/383948887.db2.gz SFHXOJXIIWFOPH-ZJUUUORDSA-N 1 0 212.362 3.228 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1nccs1)C(C)C ZINC000070634112 343336458 /nfs/dbraw/zinc/33/64/58/343336458.db2.gz SFHXOJXIIWFOPH-NXEZZACHSA-N 1 0 212.362 3.228 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000070636812 167298262 /nfs/dbraw/zinc/29/82/62/167298262.db2.gz XGDLAOIUJMBCOH-OLZOCXBDSA-N 1 0 219.328 3.069 10 0 BGAERO CC(C)Oc1ccc([C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000070636815 167300996 /nfs/dbraw/zinc/30/09/96/167300996.db2.gz XGDLAOIUJMBCOH-STQMWFEESA-N 1 0 219.328 3.069 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000070636817 167298152 /nfs/dbraw/zinc/29/81/52/167298152.db2.gz XGDLAOIUJMBCOH-CHWSQXEVSA-N 1 0 219.328 3.069 10 0 BGAERO CC(C)Oc1ccc([C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000070636818 167300941 /nfs/dbraw/zinc/30/09/41/167300941.db2.gz XGDLAOIUJMBCOH-QWHCGFSZSA-N 1 0 219.328 3.069 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000070643511 135001215 /nfs/dbraw/zinc/00/12/15/135001215.db2.gz CANVVRWEQGJPME-MNOVXSKESA-N 1 0 224.373 3.120 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000070643512 135001420 /nfs/dbraw/zinc/00/14/20/135001420.db2.gz CANVVRWEQGJPME-QWRGUYRKSA-N 1 0 224.373 3.120 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000070643513 135001777 /nfs/dbraw/zinc/00/17/77/135001777.db2.gz CANVVRWEQGJPME-GHMZBOCLSA-N 1 0 224.373 3.120 10 0 BGAERO CC[C@H]1CC[C@@H]([NH2+]Cc2nc(C)cs2)C1 ZINC000070643514 536094121 /nfs/dbraw/zinc/09/41/21/536094121.db2.gz CANVVRWEQGJPME-WDEREUQCSA-N 1 0 224.373 3.120 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000070644150 135001714 /nfs/dbraw/zinc/00/17/14/135001714.db2.gz JACOHZMSEFRSEL-MNOVXSKESA-N 1 0 224.373 3.120 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+]Cc2scnc2C)C1 ZINC000070644151 135001111 /nfs/dbraw/zinc/00/11/11/135001111.db2.gz JACOHZMSEFRSEL-QWRGUYRKSA-N 1 0 224.373 3.120 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000070644152 135001941 /nfs/dbraw/zinc/00/19/41/135001941.db2.gz JACOHZMSEFRSEL-GHMZBOCLSA-N 1 0 224.373 3.120 10 0 BGAERO CC[C@H]1CC[C@@H]([NH2+]Cc2scnc2C)C1 ZINC000070644153 536094488 /nfs/dbraw/zinc/09/44/88/536094488.db2.gz JACOHZMSEFRSEL-WDEREUQCSA-N 1 0 224.373 3.120 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000070644295 325020078 /nfs/dbraw/zinc/02/00/78/325020078.db2.gz BOGDGBNCZLHUFM-DCAQKATOSA-N 1 0 224.373 3.372 10 0 BGAERO CC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2nccs2)C1 ZINC000070644297 325020265 /nfs/dbraw/zinc/02/02/65/325020265.db2.gz BOGDGBNCZLHUFM-GARJFASQSA-N 1 0 224.373 3.372 10 0 BGAERO [NH3+]CCCCc1ccc(Cl)c(Cl)c1 ZINC000070651752 350039180 /nfs/dbraw/zinc/03/91/80/350039180.db2.gz DFORBMFOFAEZHP-UHFFFAOYSA-N 1 0 218.127 3.275 10 0 BGAERO CC[C@H]([NH2+]C)c1cc(Br)cs1 ZINC000070652572 343953264 /nfs/dbraw/zinc/95/32/64/343953264.db2.gz SZWBXJASGWWJQD-ZETCQYMHSA-N 1 0 234.162 3.181 10 0 BGAERO CC[C@@H]([NH2+]C)c1cc(Br)cs1 ZINC000070652573 361698805 /nfs/dbraw/zinc/69/88/05/361698805.db2.gz SZWBXJASGWWJQD-SSDOTTSWSA-N 1 0 234.162 3.181 10 0 BGAERO CC1(C)CCC([NH2+]CC[C@@H]2CCCO2)CC1 ZINC000070654146 345795848 /nfs/dbraw/zinc/79/58/48/345795848.db2.gz PIBGWVBDKIQBCN-ZDUSSCGKSA-N 1 0 225.376 3.114 10 0 BGAERO Cc1ccc([C@H](C)[C@@H]2CC[NH2+]C2)c(C)c1 ZINC000070676684 178901214 /nfs/dbraw/zinc/90/12/14/178901214.db2.gz GONQSCGMJWINPJ-CHWSQXEVSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1ccc([C@H](C)[C@H]2CC[NH2+]C2)c(C)c1 ZINC000070676688 178900714 /nfs/dbraw/zinc/90/07/14/178900714.db2.gz GONQSCGMJWINPJ-OLZOCXBDSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1ccc(C)c([C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000070676877 178493834 /nfs/dbraw/zinc/49/38/34/178493834.db2.gz MVJPCBQKEXCGKD-QWHCGFSZSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1ccc([C@H](C)[C@@H]2CC[NH2+]C2)cc1C ZINC000070676934 178901211 /nfs/dbraw/zinc/90/12/11/178901211.db2.gz VICNNFYKNVFYOH-GXTWGEPZSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1ccc([C@@H](C)[C@H]2CC[NH2+]C2)cc1C ZINC000070676936 178852256 /nfs/dbraw/zinc/85/22/56/178852256.db2.gz VICNNFYKNVFYOH-OCCSQVGLSA-N 1 0 203.329 3.016 10 0 BGAERO CC1(C)CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000070683176 490232401 /nfs/dbraw/zinc/23/24/01/490232401.db2.gz PNGPOIDLRGTAIL-STQMWFEESA-N 1 0 225.376 3.114 10 0 BGAERO CC1(C)CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000070683178 490232266 /nfs/dbraw/zinc/23/22/66/490232266.db2.gz PNGPOIDLRGTAIL-OLZOCXBDSA-N 1 0 225.376 3.114 10 0 BGAERO [NH3+]Cc1cccc2c1ccn2Cc1ccccc1 ZINC000070708314 374181669 /nfs/dbraw/zinc/18/16/69/374181669.db2.gz PCMQGRLAKLBYMW-UHFFFAOYSA-N 1 0 236.318 3.148 10 0 BGAERO CC[NH2+]CCCCc1c[nH]c2ccccc12 ZINC000070708418 170112767 /nfs/dbraw/zinc/11/27/67/170112767.db2.gz OFBJMAXFLAJULF-UHFFFAOYSA-N 1 0 216.328 3.100 10 0 BGAERO CCC[NH2+]CCCc1c[nH]c2ccccc12 ZINC000070708507 169257934 /nfs/dbraw/zinc/25/79/34/169257934.db2.gz MAXUZMXVDRZJQA-UHFFFAOYSA-N 1 0 216.328 3.100 10 0 BGAERO Cc1ccc(C)c([C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000070709336 178503465 /nfs/dbraw/zinc/50/34/65/178503465.db2.gz RPJVYEUNLANXAP-STQMWFEESA-N 1 0 203.329 3.159 10 0 BGAERO CCc1ccc([C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000070709342 171845407 /nfs/dbraw/zinc/84/54/07/171845407.db2.gz RXEOKIXERSZKIE-FZMZJTMJSA-N 1 0 203.329 3.105 10 0 BGAERO CCc1ccc([C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000070709343 171835891 /nfs/dbraw/zinc/83/58/91/171835891.db2.gz RXEOKIXERSZKIE-BXUZGUMPSA-N 1 0 203.329 3.105 10 0 BGAERO Cc1ccc([C@H]2CC[C@H](C)[NH2+]C2)c(C)c1 ZINC000070709429 178920066 /nfs/dbraw/zinc/92/00/66/178920066.db2.gz LDROPTWOEMPJQC-STQMWFEESA-N 1 0 203.329 3.159 10 0 BGAERO Cc1ccc([C@@H]2CC[C@@H](C)[NH2+]C2)c(C)c1 ZINC000070709430 178874166 /nfs/dbraw/zinc/87/41/66/178874166.db2.gz LDROPTWOEMPJQC-CHWSQXEVSA-N 1 0 203.329 3.159 10 0 BGAERO C[C@@H]1CCC[C@H](c2cc(F)ccc2F)[NH2+]1 ZINC000070709688 537938904 /nfs/dbraw/zinc/93/89/04/537938904.db2.gz DWDWXOYKIBJGGO-PRHODGIISA-N 1 0 211.255 3.168 10 0 BGAERO C[C@H]1CCC[C@H](c2cc(F)ccc2F)[NH2+]1 ZINC000070709692 537883564 /nfs/dbraw/zinc/88/35/64/537883564.db2.gz DWDWXOYKIBJGGO-QPUJVOFHSA-N 1 0 211.255 3.168 10 0 BGAERO C[C@@H]1CCC[C@@H](c2cc(F)ccc2F)[NH2+]1 ZINC000070709693 537938950 /nfs/dbraw/zinc/93/89/50/537938950.db2.gz DWDWXOYKIBJGGO-PELKAZGASA-N 1 0 211.255 3.168 10 0 BGAERO C[C@H]1CCC[C@@H](c2cc(F)ccc2F)[NH2+]1 ZINC000070709695 537883375 /nfs/dbraw/zinc/88/33/75/537883375.db2.gz DWDWXOYKIBJGGO-UFBFGSQYSA-N 1 0 211.255 3.168 10 0 BGAERO CCOc1ccc([C@@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000070710078 537882904 /nfs/dbraw/zinc/88/29/04/537882904.db2.gz LMXQPVMHPVXTFN-FZMZJTMJSA-N 1 0 219.328 3.288 10 0 BGAERO CCOc1ccc([C@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000070710081 537884209 /nfs/dbraw/zinc/88/42/09/537884209.db2.gz LMXQPVMHPVXTFN-SMDDNHRTSA-N 1 0 219.328 3.288 10 0 BGAERO CCOc1ccc([C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000070710083 537883731 /nfs/dbraw/zinc/88/37/31/537883731.db2.gz LMXQPVMHPVXTFN-RISCZKNCSA-N 1 0 219.328 3.288 10 0 BGAERO CCOc1ccc([C@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000070710084 537883558 /nfs/dbraw/zinc/88/35/58/537883558.db2.gz LMXQPVMHPVXTFN-BXUZGUMPSA-N 1 0 219.328 3.288 10 0 BGAERO Cc1cc(F)ccc1[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000070710184 537882759 /nfs/dbraw/zinc/88/27/59/537882759.db2.gz ZVBZUGVJMWHFQH-GWCFXTLKSA-N 1 0 207.292 3.337 10 0 BGAERO Cc1cc(F)ccc1[C@H]1CCC[C@H](C)[NH2+]1 ZINC000070710187 537884398 /nfs/dbraw/zinc/88/43/98/537884398.db2.gz ZVBZUGVJMWHFQH-GXFFZTMASA-N 1 0 207.292 3.337 10 0 BGAERO Cc1cc(F)ccc1[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000070710190 537883718 /nfs/dbraw/zinc/88/37/18/537883718.db2.gz ZVBZUGVJMWHFQH-MFKMUULPSA-N 1 0 207.292 3.337 10 0 BGAERO Cc1cc(F)ccc1[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000070710193 537883954 /nfs/dbraw/zinc/88/39/54/537883954.db2.gz ZVBZUGVJMWHFQH-ZWNOBZJWSA-N 1 0 207.292 3.337 10 0 BGAERO C[C@@H]1CCC[C@H](c2ccc(F)c(F)c2F)[NH2+]1 ZINC000070710252 537884256 /nfs/dbraw/zinc/88/42/56/537884256.db2.gz YVWJICINFGWVLJ-GMSGAONNSA-N 1 0 229.245 3.307 10 0 BGAERO C[C@H]1CCC[C@H](c2ccc(F)c(F)c2F)[NH2+]1 ZINC000070710254 537882547 /nfs/dbraw/zinc/88/25/47/537882547.db2.gz YVWJICINFGWVLJ-OIBJUYFYSA-N 1 0 229.245 3.307 10 0 BGAERO C[C@@H]1CCC[C@@H](c2ccc(F)c(F)c2F)[NH2+]1 ZINC000070710257 537882284 /nfs/dbraw/zinc/88/22/84/537882284.db2.gz YVWJICINFGWVLJ-XCBNKYQSSA-N 1 0 229.245 3.307 10 0 BGAERO C[C@H]1CCC[C@@H](c2ccc(F)c(F)c2F)[NH2+]1 ZINC000070710258 537883214 /nfs/dbraw/zinc/88/32/14/537883214.db2.gz YVWJICINFGWVLJ-XVKPBYJWSA-N 1 0 229.245 3.307 10 0 BGAERO C[NH2+][C@@H](c1cccc(Br)c1)C1CC1 ZINC000070736009 343954800 /nfs/dbraw/zinc/95/48/00/343954800.db2.gz DPSHENMAAMCOAN-LLVKDONJSA-N 1 0 240.144 3.120 10 0 BGAERO C[NH2+][C@H](c1cccc(Br)c1)C1CC1 ZINC000070736010 361747419 /nfs/dbraw/zinc/74/74/19/361747419.db2.gz DPSHENMAAMCOAN-NSHDSACASA-N 1 0 240.144 3.120 10 0 BGAERO C[NH2+][C@@H](c1ccccc1Br)C1CC1 ZINC000070736044 397997161 /nfs/dbraw/zinc/99/71/61/397997161.db2.gz QAZDPTGEHMRUOE-LLVKDONJSA-N 1 0 240.144 3.120 10 0 BGAERO C[NH2+][C@H](c1ccccc1Br)C1CC1 ZINC000070736046 397997148 /nfs/dbraw/zinc/99/71/48/397997148.db2.gz QAZDPTGEHMRUOE-NSHDSACASA-N 1 0 240.144 3.120 10 0 BGAERO C[NH2+][C@@H](c1ccc(Cl)cc1F)C1CC1 ZINC000070736122 397997176 /nfs/dbraw/zinc/99/71/76/397997176.db2.gz YLNRMOWZHIOMEJ-LLVKDONJSA-N 1 0 213.683 3.150 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)cc1F)C1CC1 ZINC000070736123 397997259 /nfs/dbraw/zinc/99/72/59/397997259.db2.gz YLNRMOWZHIOMEJ-NSHDSACASA-N 1 0 213.683 3.150 10 0 BGAERO C[NH2+][C@@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000070736134 343954952 /nfs/dbraw/zinc/95/49/52/343954952.db2.gz XCBPRRARSWFFGH-LLVKDONJSA-N 1 0 213.683 3.150 10 0 BGAERO C[NH2+][C@H](c1ccc(F)c(Cl)c1)C1CC1 ZINC000070736135 343954642 /nfs/dbraw/zinc/95/46/42/343954642.db2.gz XCBPRRARSWFFGH-NSHDSACASA-N 1 0 213.683 3.150 10 0 BGAERO C[NH2+][C@@H](c1cc(Br)cs1)C1CC1 ZINC000070736180 397997253 /nfs/dbraw/zinc/99/72/53/397997253.db2.gz BXEHHSYEYVDOPM-SECBINFHSA-N 1 0 246.173 3.181 10 0 BGAERO C[NH2+][C@H](c1cc(Br)cs1)C1CC1 ZINC000070736182 397997225 /nfs/dbraw/zinc/99/72/25/397997225.db2.gz BXEHHSYEYVDOPM-VIFPVBQESA-N 1 0 246.173 3.181 10 0 BGAERO C[C@@H]([NH3+])CCCc1ccccc1Br ZINC000070740754 175804774 /nfs/dbraw/zinc/80/47/74/175804774.db2.gz RIXIGPWAVDCAQX-SECBINFHSA-N 1 0 242.160 3.119 10 0 BGAERO CCCOc1ccc([C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000070741095 169321699 /nfs/dbraw/zinc/32/16/99/169321699.db2.gz YPNSQAYMSPRAKM-OLZOCXBDSA-N 1 0 219.328 3.070 10 0 BGAERO CCCOc1ccc([C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000070741098 169322419 /nfs/dbraw/zinc/32/24/19/169322419.db2.gz YPNSQAYMSPRAKM-STQMWFEESA-N 1 0 219.328 3.070 10 0 BGAERO CCCOc1ccc([C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000070741100 169321232 /nfs/dbraw/zinc/32/12/32/169321232.db2.gz YPNSQAYMSPRAKM-CHWSQXEVSA-N 1 0 219.328 3.070 10 0 BGAERO CCCOc1ccc([C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000070741102 169322116 /nfs/dbraw/zinc/32/21/16/169322116.db2.gz YPNSQAYMSPRAKM-QWHCGFSZSA-N 1 0 219.328 3.070 10 0 BGAERO [NH3+][C@H]1CC[C@@H](Cc2ccc(Cl)s2)C1 ZINC000070741161 361752546 /nfs/dbraw/zinc/75/25/46/361752546.db2.gz PQHFUWBWHTUMJL-SFYZADRCSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CC[C@H](Cc2ccc(Cl)s2)C1 ZINC000070741162 361752636 /nfs/dbraw/zinc/75/26/36/361752636.db2.gz PQHFUWBWHTUMJL-YUMQZZPRSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](Cc2ccc(Cl)s2)C1 ZINC000070741163 361752999 /nfs/dbraw/zinc/75/29/99/361752999.db2.gz PQHFUWBWHTUMJL-HTQZYQBOSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CC[C@H](Cc2ccc(Cl)s2)C1 ZINC000070741164 361753786 /nfs/dbraw/zinc/75/37/86/361753786.db2.gz PQHFUWBWHTUMJL-JGVFFNPUSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CC[C@@H](Cc2ccccc2Cl)C1 ZINC000070741193 361753851 /nfs/dbraw/zinc/75/38/51/361753851.db2.gz FJTCJUAIQRWKQO-ONGXEEELSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CC[C@H](Cc2ccccc2Cl)C1 ZINC000070741194 361753807 /nfs/dbraw/zinc/75/38/07/361753807.db2.gz FJTCJUAIQRWKQO-KOLCDFICSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](Cc2ccccc2Cl)C1 ZINC000070741195 361753855 /nfs/dbraw/zinc/75/38/55/361753855.db2.gz FJTCJUAIQRWKQO-GXSJLCMTSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CC[C@H](Cc2ccccc2Cl)C1 ZINC000070741196 361753916 /nfs/dbraw/zinc/75/39/16/361753916.db2.gz FJTCJUAIQRWKQO-MWLCHTKSSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CC[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000070741253 361751818 /nfs/dbraw/zinc/75/18/18/361751818.db2.gz LECOQGDRVISAFD-JQWIXIFHSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@H]1CC[C@H](Cc2ccc(Cl)cc2)C1 ZINC000070741254 361751429 /nfs/dbraw/zinc/75/14/29/361751429.db2.gz LECOQGDRVISAFD-PWSUYJOCSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](Cc2ccc(Cl)cc2)C1 ZINC000070741256 361751339 /nfs/dbraw/zinc/75/13/39/361751339.db2.gz LECOQGDRVISAFD-CMPLNLGQSA-N 1 0 209.720 3.010 10 0 BGAERO [NH3+][C@@H]1CC[C@H](Cc2ccc(Cl)cc2)C1 ZINC000070741258 361751753 /nfs/dbraw/zinc/75/17/53/361751753.db2.gz LECOQGDRVISAFD-ZYHUDNBSSA-N 1 0 209.720 3.010 10 0 BGAERO CCCc1ccc([C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000070741276 169574561 /nfs/dbraw/zinc/57/45/61/169574561.db2.gz KXBYOQYIZPVWBH-KGLIPLIRSA-N 1 0 203.329 3.234 10 0 BGAERO CCc1ccc([C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000070741298 171845483 /nfs/dbraw/zinc/84/54/83/171845483.db2.gz CUBOIWPDBCQLFF-KBPBESRZSA-N 1 0 203.329 3.234 10 0 BGAERO CCc1ccc([C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000070741300 171845842 /nfs/dbraw/zinc/84/58/42/171845842.db2.gz CUBOIWPDBCQLFF-UONOGXRCSA-N 1 0 203.329 3.234 10 0 BGAERO Cc1ccc([C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000070741384 178920106 /nfs/dbraw/zinc/92/01/06/178920106.db2.gz NVZZXNNCZWETEQ-JSGCOSHPSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1cccc([C@@H]2CCC[C@H]([NH3+])C2)c1C ZINC000070741390 179189530 /nfs/dbraw/zinc/18/95/30/179189530.db2.gz HSUHJLIMBPPNOS-OLZOCXBDSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1cccc([C@H]2CCC[C@H]([NH3+])C2)c1C ZINC000070741391 179204480 /nfs/dbraw/zinc/20/44/80/179204480.db2.gz HSUHJLIMBPPNOS-STQMWFEESA-N 1 0 203.329 3.288 10 0 BGAERO Cc1cccc([C@@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000070741392 179189556 /nfs/dbraw/zinc/18/95/56/179189556.db2.gz HSUHJLIMBPPNOS-CHWSQXEVSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1cccc([C@H]2CCC[C@@H]([NH3+])C2)c1C ZINC000070741393 179204531 /nfs/dbraw/zinc/20/45/31/179204531.db2.gz HSUHJLIMBPPNOS-QWHCGFSZSA-N 1 0 203.329 3.288 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](CCc2ccsc2)C1 ZINC000070741443 343955316 /nfs/dbraw/zinc/95/53/16/343955316.db2.gz ZCWVZZXJWRZXPD-JQWIXIFHSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@H]1CCC[C@H](CCc2ccsc2)C1 ZINC000070741444 343955395 /nfs/dbraw/zinc/95/53/95/343955395.db2.gz ZCWVZZXJWRZXPD-PWSUYJOCSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](CCc2ccsc2)C1 ZINC000070741446 343955309 /nfs/dbraw/zinc/95/53/09/343955309.db2.gz ZCWVZZXJWRZXPD-CMPLNLGQSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](CCc2ccsc2)C1 ZINC000070741447 343955406 /nfs/dbraw/zinc/95/54/06/343955406.db2.gz ZCWVZZXJWRZXPD-ZYHUDNBSSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](c2occc2Br)C1 ZINC000070741452 374186369 /nfs/dbraw/zinc/18/63/69/374186369.db2.gz UKMHCNRVKBEYMD-SFYZADRCSA-N 1 0 244.132 3.027 10 0 BGAERO [NH3+][C@H]1CCC[C@H](c2occc2Br)C1 ZINC000070741453 374186472 /nfs/dbraw/zinc/18/64/72/374186472.db2.gz UKMHCNRVKBEYMD-YUMQZZPRSA-N 1 0 244.132 3.027 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](c2occc2Br)C1 ZINC000070741454 374185283 /nfs/dbraw/zinc/18/52/83/374185283.db2.gz UKMHCNRVKBEYMD-HTQZYQBOSA-N 1 0 244.132 3.027 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](c2occc2Br)C1 ZINC000070741455 374186311 /nfs/dbraw/zinc/18/63/11/374186311.db2.gz UKMHCNRVKBEYMD-JGVFFNPUSA-N 1 0 244.132 3.027 10 0 BGAERO Cc1ccc([C@@H]2CCC[C@H]([NH3+])C2)c(C)c1 ZINC000070741519 178872982 /nfs/dbraw/zinc/87/29/82/178872982.db2.gz DCCOSLPWIRNGPU-OLZOCXBDSA-N 1 0 203.329 3.288 10 0 BGAERO Cc1ccc([C@H]2CCC[C@@H]([NH3+])C2)c(C)c1 ZINC000070741522 178921145 /nfs/dbraw/zinc/92/11/45/178921145.db2.gz DCCOSLPWIRNGPU-QWHCGFSZSA-N 1 0 203.329 3.288 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](c2ccccc2Cl)C1 ZINC000070741534 181645864 /nfs/dbraw/zinc/64/58/64/181645864.db2.gz LVYHFLXSXUZAQU-ZJUUUORDSA-N 1 0 209.720 3.325 10 0 BGAERO [NH3+][C@H]1CCC[C@H](c2ccccc2Cl)C1 ZINC000070741535 388237830 /nfs/dbraw/zinc/23/78/30/388237830.db2.gz LVYHFLXSXUZAQU-UWVGGRQHSA-N 1 0 209.720 3.325 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](c2ccccc2Cl)C1 ZINC000070741536 388237887 /nfs/dbraw/zinc/23/78/87/388237887.db2.gz LVYHFLXSXUZAQU-NXEZZACHSA-N 1 0 209.720 3.325 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](c2ccccc2Cl)C1 ZINC000070741537 388237749 /nfs/dbraw/zinc/23/77/49/388237749.db2.gz LVYHFLXSXUZAQU-VHSXEESVSA-N 1 0 209.720 3.325 10 0 BGAERO Cc1ccc(C)c([C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000070741653 178497799 /nfs/dbraw/zinc/49/77/99/178497799.db2.gz YLJUBEVWUHQHPD-CHWSQXEVSA-N 1 0 203.329 3.288 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](CCc2cccs2)C1 ZINC000070741681 361751573 /nfs/dbraw/zinc/75/15/73/361751573.db2.gz UAKUUAFBZVOFQF-QWRGUYRKSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@H]1CCC[C@H](CCc2cccs2)C1 ZINC000070741682 361751323 /nfs/dbraw/zinc/75/13/23/361751323.db2.gz UAKUUAFBZVOFQF-MNOVXSKESA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](CCc2cccs2)C1 ZINC000070741683 361751309 /nfs/dbraw/zinc/75/13/09/361751309.db2.gz UAKUUAFBZVOFQF-WDEREUQCSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](CCc2cccs2)C1 ZINC000070741684 361753033 /nfs/dbraw/zinc/75/30/33/361753033.db2.gz UAKUUAFBZVOFQF-GHMZBOCLSA-N 1 0 209.358 3.198 10 0 BGAERO Cc1cc([C@@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000070741739 178241150 /nfs/dbraw/zinc/24/11/50/178241150.db2.gz SOPVQIGZORLPGR-PWSUYJOCSA-N 1 0 207.292 3.119 10 0 BGAERO Cc1cc([C@H]2CCC[C@H]([NH3+])C2)ccc1F ZINC000070741741 178266648 /nfs/dbraw/zinc/26/66/48/178266648.db2.gz SOPVQIGZORLPGR-JQWIXIFHSA-N 1 0 207.292 3.119 10 0 BGAERO Cc1cc([C@@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000070741742 178242030 /nfs/dbraw/zinc/24/20/30/178242030.db2.gz SOPVQIGZORLPGR-ZYHUDNBSSA-N 1 0 207.292 3.119 10 0 BGAERO Cc1cc([C@H]2CCC[C@@H]([NH3+])C2)ccc1F ZINC000070741744 178266842 /nfs/dbraw/zinc/26/68/42/178266842.db2.gz SOPVQIGZORLPGR-CMPLNLGQSA-N 1 0 207.292 3.119 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]1CCC[C@H]([NH3+])C1 ZINC000070741761 175121599 /nfs/dbraw/zinc/12/15/99/175121599.db2.gz HKJDPIAVMQBAFZ-KOLCDFICSA-N 1 0 239.746 3.334 10 0 BGAERO COc1ccc(Cl)cc1[C@H]1CCC[C@H]([NH3+])C1 ZINC000070741762 175123012 /nfs/dbraw/zinc/12/30/12/175123012.db2.gz HKJDPIAVMQBAFZ-ONGXEEELSA-N 1 0 239.746 3.334 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000070741763 175122381 /nfs/dbraw/zinc/12/23/81/175122381.db2.gz HKJDPIAVMQBAFZ-MWLCHTKSSA-N 1 0 239.746 3.334 10 0 BGAERO COc1ccc(Cl)cc1[C@H]1CCC[C@@H]([NH3+])C1 ZINC000070741764 175123190 /nfs/dbraw/zinc/12/31/90/175123190.db2.gz HKJDPIAVMQBAFZ-GXSJLCMTSA-N 1 0 239.746 3.334 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H](Cc2cccs2)C1 ZINC000070742379 361754654 /nfs/dbraw/zinc/75/46/54/361754654.db2.gz ZACQVUSXMZOLOG-MNOVXSKESA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@H]1CCCC[C@H](Cc2cccs2)C1 ZINC000070742380 361754658 /nfs/dbraw/zinc/75/46/58/361754658.db2.gz ZACQVUSXMZOLOG-QWRGUYRKSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H](Cc2cccs2)C1 ZINC000070742382 361754552 /nfs/dbraw/zinc/75/45/52/361754552.db2.gz ZACQVUSXMZOLOG-GHMZBOCLSA-N 1 0 209.358 3.198 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H](Cc2cccs2)C1 ZINC000070742385 361754449 /nfs/dbraw/zinc/75/44/49/361754449.db2.gz ZACQVUSXMZOLOG-WDEREUQCSA-N 1 0 209.358 3.198 10 0 BGAERO CCCOc1ccc(CC[C@H]([NH3+])CC)cc1 ZINC000070742697 169318739 /nfs/dbraw/zinc/31/87/39/169318739.db2.gz VBSXCUIZNMUYRL-CYBMUJFWSA-N 1 0 221.344 3.145 10 0 BGAERO CCCOc1ccc(CC[C@@H]([NH3+])CC)cc1 ZINC000070742698 169318429 /nfs/dbraw/zinc/31/84/29/169318429.db2.gz VBSXCUIZNMUYRL-ZDUSSCGKSA-N 1 0 221.344 3.145 10 0 BGAERO C[NH2+]CCCc1cc(Cl)ccc1Cl ZINC000070743378 173350689 /nfs/dbraw/zinc/35/06/89/173350689.db2.gz TXKADJVCXHUXOE-UHFFFAOYSA-N 1 0 218.127 3.145 10 0 BGAERO C[NH2+]CCCCc1cc(Br)cs1 ZINC000070743403 173346300 /nfs/dbraw/zinc/34/63/00/173346300.db2.gz XUOSGVFNMUDFLP-UHFFFAOYSA-N 1 0 248.189 3.053 10 0 BGAERO CC[NH2+]CCCCc1ccc2c(c1)CCC2 ZINC000070743409 170112607 /nfs/dbraw/zinc/11/26/07/170112607.db2.gz OXYHOSIIIROBHT-UHFFFAOYSA-N 1 0 217.356 3.108 10 0 BGAERO CC[NH2+]CCCCc1cc(Cl)ccc1OC ZINC000070743430 170112887 /nfs/dbraw/zinc/11/28/87/170112887.db2.gz NMKSFIWWVSFIJF-UHFFFAOYSA-N 1 0 241.762 3.281 10 0 BGAERO CCCOc1ccc(CCC[NH2+]CC)cc1 ZINC000070743432 169317876 /nfs/dbraw/zinc/31/78/76/169317876.db2.gz PNMBDOYLIVXONF-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CC[NH2+]CCCCc1ccc(Cl)s1 ZINC000070743435 170112894 /nfs/dbraw/zinc/11/28/94/170112894.db2.gz BUTZSGJKHCZQMX-UHFFFAOYSA-N 1 0 217.765 3.334 10 0 BGAERO CC[NH2+]CCCc1ccc(OC(C)C)cc1 ZINC000070743442 170113382 /nfs/dbraw/zinc/11/33/82/170113382.db2.gz LYDMCJACLFKHAE-UHFFFAOYSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+]CCCc1ccc(OCC)cc1 ZINC000070743485 169258217 /nfs/dbraw/zinc/25/82/17/169258217.db2.gz FXQKMQMNVAPGQC-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CCC[NH2+]CCCc1ccccc1OCC ZINC000070743489 169257857 /nfs/dbraw/zinc/25/78/57/169257857.db2.gz WKJCVWDUQJDIBS-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO Clc1ccc(CCCC[NH2+]C2CC2)s1 ZINC000070743555 180578751 /nfs/dbraw/zinc/57/87/51/180578751.db2.gz QHRDILMOXRMRCH-UHFFFAOYSA-N 1 0 229.776 3.476 10 0 BGAERO CCCc1ccc(CCC[NH2+]C2CC2)cc1 ZINC000070743565 169570940 /nfs/dbraw/zinc/57/09/40/169570940.db2.gz VKXQJESVDZXYQC-UHFFFAOYSA-N 1 0 217.356 3.324 10 0 BGAERO Cc1cc(CCC[NH2+]C(C)(C)C)ccc1F ZINC000070743601 177962978 /nfs/dbraw/zinc/96/29/78/177962978.db2.gz ASCWLSJFFCDZAD-UHFFFAOYSA-N 1 0 223.335 3.455 10 0 BGAERO CCc1ccc([C@H]2CC[C@H]([NH2+]C)C2)cc1 ZINC000070744066 171845161 /nfs/dbraw/zinc/84/51/61/171845161.db2.gz OBVAJZODQYVKOV-KBPBESRZSA-N 1 0 203.329 3.105 10 0 BGAERO CCc1ccc([C@@H]2CC[C@@H]([NH2+]C)C2)cc1 ZINC000070744067 171835544 /nfs/dbraw/zinc/83/55/44/171835544.db2.gz OBVAJZODQYVKOV-ZIAGYGMSSA-N 1 0 203.329 3.105 10 0 BGAERO CCc1ccc([C@H]2CC[C@@H]([NH2+]C)C2)cc1 ZINC000070744068 171845654 /nfs/dbraw/zinc/84/56/54/171845654.db2.gz OBVAJZODQYVKOV-UONOGXRCSA-N 1 0 203.329 3.105 10 0 BGAERO C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000070744181 388237791 /nfs/dbraw/zinc/23/77/91/388237791.db2.gz YBRVVUWPGGHNMP-CMPLNLGQSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000070744182 361754278 /nfs/dbraw/zinc/75/42/78/361754278.db2.gz YBRVVUWPGGHNMP-JQWIXIFHSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000070744183 173438460 /nfs/dbraw/zinc/43/84/60/173438460.db2.gz YBRVVUWPGGHNMP-ZYHUDNBSSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000070744184 388237787 /nfs/dbraw/zinc/23/77/87/388237787.db2.gz YBRVVUWPGGHNMP-PWSUYJOCSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CC[C@H](c2ccccc2Cl)C1 ZINC000070744217 388237811 /nfs/dbraw/zinc/23/78/11/388237811.db2.gz MHDWGMYAQNMLLO-VHSXEESVSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CC[C@H](c2ccccc2Cl)C1 ZINC000070744218 388237841 /nfs/dbraw/zinc/23/78/41/388237841.db2.gz MHDWGMYAQNMLLO-UWVGGRQHSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CC[C@@H](c2ccccc2Cl)C1 ZINC000070744219 388237831 /nfs/dbraw/zinc/23/78/31/388237831.db2.gz MHDWGMYAQNMLLO-NXEZZACHSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CC[C@@H](c2ccccc2Cl)C1 ZINC000070744220 173467904 /nfs/dbraw/zinc/46/79/04/173467904.db2.gz MHDWGMYAQNMLLO-ZJUUUORDSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CC[C@H](Cc2ccc(Cl)s2)C1 ZINC000070744249 361754326 /nfs/dbraw/zinc/75/43/26/361754326.db2.gz UXJCMEIXVYNZRD-DTWKUNHWSA-N 1 0 229.776 3.332 10 0 BGAERO C[NH2+][C@H]1CC[C@H](Cc2ccc(Cl)s2)C1 ZINC000070744250 361754516 /nfs/dbraw/zinc/75/45/16/361754516.db2.gz UXJCMEIXVYNZRD-IUCAKERBSA-N 1 0 229.776 3.332 10 0 BGAERO C[NH2+][C@@H]1CC[C@@H](Cc2ccc(Cl)s2)C1 ZINC000070744251 361754270 /nfs/dbraw/zinc/75/42/70/361754270.db2.gz UXJCMEIXVYNZRD-RKDXNWHRSA-N 1 0 229.776 3.332 10 0 BGAERO C[NH2+][C@H]1CC[C@@H](Cc2ccc(Cl)s2)C1 ZINC000070744252 361754522 /nfs/dbraw/zinc/75/45/22/361754522.db2.gz UXJCMEIXVYNZRD-BDAKNGLRSA-N 1 0 229.776 3.332 10 0 BGAERO C[NH2+][C@@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000070744349 173438692 /nfs/dbraw/zinc/43/86/92/173438692.db2.gz ZSLJXOJNVUMQIO-CMPLNLGQSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000070744350 388237724 /nfs/dbraw/zinc/23/77/24/388237724.db2.gz ZSLJXOJNVUMQIO-JQWIXIFHSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000070744351 388237896 /nfs/dbraw/zinc/23/78/96/388237896.db2.gz ZSLJXOJNVUMQIO-ZYHUDNBSSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@H]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000070744352 388237799 /nfs/dbraw/zinc/23/77/99/388237799.db2.gz ZSLJXOJNVUMQIO-PWSUYJOCSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H](Cc2cccs2)C1 ZINC000070745025 361753871 /nfs/dbraw/zinc/75/38/71/361753871.db2.gz HBESFOXTLUOFLC-WDEREUQCSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CCC[C@H](Cc2cccs2)C1 ZINC000070745026 361753782 /nfs/dbraw/zinc/75/37/82/361753782.db2.gz HBESFOXTLUOFLC-QWRGUYRKSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H](Cc2cccs2)C1 ZINC000070745027 361753890 /nfs/dbraw/zinc/75/38/90/361753890.db2.gz HBESFOXTLUOFLC-GHMZBOCLSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CCC[C@@H](Cc2cccs2)C1 ZINC000070745028 361753802 /nfs/dbraw/zinc/75/38/02/361753802.db2.gz HBESFOXTLUOFLC-MNOVXSKESA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H](Cc2ccsc2)C1 ZINC000070745093 361753848 /nfs/dbraw/zinc/75/38/48/361753848.db2.gz CJWWAMYGBJDUMO-ZYHUDNBSSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CCC[C@H](Cc2ccsc2)C1 ZINC000070745094 361753826 /nfs/dbraw/zinc/75/38/26/361753826.db2.gz CJWWAMYGBJDUMO-PWSUYJOCSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H](Cc2ccsc2)C1 ZINC000070745095 361753812 /nfs/dbraw/zinc/75/38/12/361753812.db2.gz CJWWAMYGBJDUMO-CMPLNLGQSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CCC[C@@H](Cc2ccsc2)C1 ZINC000070745096 361753868 /nfs/dbraw/zinc/75/38/68/361753868.db2.gz CJWWAMYGBJDUMO-JQWIXIFHSA-N 1 0 209.358 3.069 10 0 BGAERO CC[NH2+][C@@H]1CCC[C@H](c2cccs2)C1 ZINC000070745289 361753976 /nfs/dbraw/zinc/75/39/76/361753976.db2.gz IXSWJLZIFKNNLJ-WDEREUQCSA-N 1 0 209.358 3.384 10 0 BGAERO CC[NH2+][C@H]1CCC[C@H](c2cccs2)C1 ZINC000070745290 361753945 /nfs/dbraw/zinc/75/39/45/361753945.db2.gz IXSWJLZIFKNNLJ-QWRGUYRKSA-N 1 0 209.358 3.384 10 0 BGAERO CC[NH2+][C@@H]1CCC[C@@H](c2cccs2)C1 ZINC000070745291 343955257 /nfs/dbraw/zinc/95/52/57/343955257.db2.gz IXSWJLZIFKNNLJ-GHMZBOCLSA-N 1 0 209.358 3.384 10 0 BGAERO CC[NH2+][C@H]1CCC[C@@H](c2cccs2)C1 ZINC000070745292 361753781 /nfs/dbraw/zinc/75/37/81/361753781.db2.gz IXSWJLZIFKNNLJ-MNOVXSKESA-N 1 0 209.358 3.384 10 0 BGAERO C[NH2+][C@@H]1CCCC[C@H](c2cccs2)C1 ZINC000070745945 361753784 /nfs/dbraw/zinc/75/37/84/361753784.db2.gz OWRVMMJSHWILRL-WDEREUQCSA-N 1 0 209.358 3.384 10 0 BGAERO C[NH2+][C@H]1CCCC[C@H](c2cccs2)C1 ZINC000070745946 361753911 /nfs/dbraw/zinc/75/39/11/361753911.db2.gz OWRVMMJSHWILRL-QWRGUYRKSA-N 1 0 209.358 3.384 10 0 BGAERO C[NH2+][C@@H]1CCCC[C@@H](c2cccs2)C1 ZINC000070745948 361753819 /nfs/dbraw/zinc/75/38/19/361753819.db2.gz OWRVMMJSHWILRL-GHMZBOCLSA-N 1 0 209.358 3.384 10 0 BGAERO C[NH2+][C@H]1CCCC[C@@H](c2cccs2)C1 ZINC000070745949 361753901 /nfs/dbraw/zinc/75/39/01/361753901.db2.gz OWRVMMJSHWILRL-MNOVXSKESA-N 1 0 209.358 3.384 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CCCOCC(C)C)C1 ZINC000070760165 134922732 /nfs/dbraw/zinc/92/27/32/134922732.db2.gz XUCSWNHKNJMDFE-ZIAGYGMSSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]CCOCCC(C)C)C1 ZINC000070762291 325029701 /nfs/dbraw/zinc/02/97/01/325029701.db2.gz GDKJRFFNXTVRGN-KGLIPLIRSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+]CCOCCC(C)C)C1 ZINC000070762293 325029505 /nfs/dbraw/zinc/02/95/05/325029505.db2.gz GDKJRFFNXTVRGN-KBPBESRZSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CCOCCC(C)C)C1 ZINC000070762295 325029519 /nfs/dbraw/zinc/02/95/19/325029519.db2.gz GDKJRFFNXTVRGN-ZIAGYGMSSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@H]1CC[C@@H]([NH2+]CCOCCC(C)C)C1 ZINC000070762297 325029616 /nfs/dbraw/zinc/02/96/16/325029616.db2.gz GDKJRFFNXTVRGN-UONOGXRCSA-N 1 0 227.392 3.217 10 0 BGAERO C[C@@H]1CC[C@]([NH3+])(CCc2ccsc2)C1 ZINC000070767687 374189404 /nfs/dbraw/zinc/18/94/04/374189404.db2.gz AGSHKKVNQIVNJA-PWSUYJOCSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@H]1CC[C@]([NH3+])(CCc2ccsc2)C1 ZINC000070767690 374189782 /nfs/dbraw/zinc/18/97/82/374189782.db2.gz AGSHKKVNQIVNJA-JQWIXIFHSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@@H]1CC[C@@]([NH3+])(CCc2ccsc2)C1 ZINC000070767693 374190149 /nfs/dbraw/zinc/19/01/49/374190149.db2.gz AGSHKKVNQIVNJA-ZYHUDNBSSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@H]1CC[C@@]([NH3+])(CCc2ccsc2)C1 ZINC000070767695 374189661 /nfs/dbraw/zinc/18/96/61/374189661.db2.gz AGSHKKVNQIVNJA-CMPLNLGQSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@@H]1CC[C@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000070768259 374189788 /nfs/dbraw/zinc/18/97/88/374189788.db2.gz IQFBGJICAMJOQD-BXKDBHETSA-N 1 0 209.720 3.314 10 0 BGAERO C[C@H]1CC[C@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000070768261 374190211 /nfs/dbraw/zinc/19/02/11/374190211.db2.gz IQFBGJICAMJOQD-JOYOIKCWSA-N 1 0 209.720 3.314 10 0 BGAERO C[C@@H]1CC[C@@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000070768264 374190119 /nfs/dbraw/zinc/19/01/19/374190119.db2.gz IQFBGJICAMJOQD-SKDRFNHKSA-N 1 0 209.720 3.314 10 0 BGAERO C[C@H]1CC[C@@]([NH3+])(c2cccc(Cl)c2)C1 ZINC000070768266 374189801 /nfs/dbraw/zinc/18/98/01/374189801.db2.gz IQFBGJICAMJOQD-CABZTGNLSA-N 1 0 209.720 3.314 10 0 BGAERO C[C@@H]1CC[C@]([NH3+])(Cc2ccc(Cl)s2)C1 ZINC000070768390 361755271 /nfs/dbraw/zinc/75/52/71/361755271.db2.gz IFUVDMRHTPUYES-LDYMZIIASA-N 1 0 229.776 3.462 10 0 BGAERO C[C@H]1CC[C@]([NH3+])(Cc2ccc(Cl)s2)C1 ZINC000070768393 361755383 /nfs/dbraw/zinc/75/53/83/361755383.db2.gz IFUVDMRHTPUYES-GZMMTYOYSA-N 1 0 229.776 3.462 10 0 BGAERO C[C@@H]1CC[C@@]([NH3+])(Cc2ccc(Cl)s2)C1 ZINC000070768398 361755361 /nfs/dbraw/zinc/75/53/61/361755361.db2.gz IFUVDMRHTPUYES-KCJUWKMLSA-N 1 0 229.776 3.462 10 0 BGAERO C[C@H]1CC[C@@]([NH3+])(Cc2ccc(Cl)s2)C1 ZINC000070768400 361755368 /nfs/dbraw/zinc/75/53/68/361755368.db2.gz IFUVDMRHTPUYES-KWQFWETISA-N 1 0 229.776 3.462 10 0 BGAERO CC[C@@H]1CC[C@]([NH3+])(Cc2cccs2)C1 ZINC000070769328 374189433 /nfs/dbraw/zinc/18/94/33/374189433.db2.gz MEMSMSRRVQNQFN-ZYHUDNBSSA-N 1 0 209.358 3.198 10 0 BGAERO CC[C@H]1CC[C@]([NH3+])(Cc2cccs2)C1 ZINC000070769332 374189399 /nfs/dbraw/zinc/18/93/99/374189399.db2.gz MEMSMSRRVQNQFN-CMPLNLGQSA-N 1 0 209.358 3.198 10 0 BGAERO CC[C@@H]1CC[C@@]([NH3+])(Cc2cccs2)C1 ZINC000070769335 374189990 /nfs/dbraw/zinc/18/99/90/374189990.db2.gz MEMSMSRRVQNQFN-PWSUYJOCSA-N 1 0 209.358 3.198 10 0 BGAERO CC[C@H]1CC[C@@]([NH3+])(Cc2cccs2)C1 ZINC000070769338 374190002 /nfs/dbraw/zinc/19/00/02/374190002.db2.gz MEMSMSRRVQNQFN-JQWIXIFHSA-N 1 0 209.358 3.198 10 0 BGAERO CC[C@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821269 171682808 /nfs/dbraw/zinc/68/28/08/171682808.db2.gz WFBHRSAJYSJTIG-LLVKDONJSA-N 1 0 240.144 3.046 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(Br)cccc21 ZINC000070821270 171149972 /nfs/dbraw/zinc/14/99/72/171149972.db2.gz WFBHRSAJYSJTIG-NSHDSACASA-N 1 0 240.144 3.046 10 0 BGAERO CC[C@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000070821271 388239757 /nfs/dbraw/zinc/23/97/57/388239757.db2.gz CDGGLFBPBVDAEJ-LLVKDONJSA-N 1 0 240.144 3.046 10 0 BGAERO CC[C@@H]1[NH2+]CCc2ccc(Br)cc21 ZINC000070821273 171150481 /nfs/dbraw/zinc/15/04/81/171150481.db2.gz CDGGLFBPBVDAEJ-NSHDSACASA-N 1 0 240.144 3.046 10 0 BGAERO CC(C)([NH3+])COCc1ccc(Cl)c(Cl)c1 ZINC000070836989 188113652 /nfs/dbraw/zinc/11/36/52/188113652.db2.gz NYSHMGRYCYCQTP-UHFFFAOYSA-N 1 0 248.153 3.247 10 0 BGAERO Cc1ccccc1Cc1nc([C@@H](C)[NH3+])cs1 ZINC000070840511 179292861 /nfs/dbraw/zinc/29/28/61/179292861.db2.gz LFXYZYHQKRQLAW-SNVBAGLBSA-N 1 0 232.352 3.062 10 0 BGAERO Cc1ccccc1Cc1nc([C@H](C)[NH3+])cs1 ZINC000070840517 179293357 /nfs/dbraw/zinc/29/33/57/179293357.db2.gz LFXYZYHQKRQLAW-JTQLQIEISA-N 1 0 232.352 3.062 10 0 BGAERO Cc1cccc(Cc2nc([C@H](C)[NH3+])cs2)c1 ZINC000070840532 187275459 /nfs/dbraw/zinc/27/54/59/187275459.db2.gz XEUCBUNMABPBSO-JTQLQIEISA-N 1 0 232.352 3.062 10 0 BGAERO C[NH2+][C@@H](C)c1csc(-c2cccs2)n1 ZINC000070840748 398139866 /nfs/dbraw/zinc/13/98/66/398139866.db2.gz QFGBMDRNQMKDDK-ZETCQYMHSA-N 1 0 224.354 3.152 10 0 BGAERO C[NH2+][C@H](C)c1csc(-c2cccs2)n1 ZINC000070840751 398139910 /nfs/dbraw/zinc/13/99/10/398139910.db2.gz QFGBMDRNQMKDDK-SSDOTTSWSA-N 1 0 224.354 3.152 10 0 BGAERO C[NH2+][C@H](C)c1csc(Cc2cccs2)n1 ZINC000070840936 173449676 /nfs/dbraw/zinc/44/96/76/173449676.db2.gz QQNFESJSZWKKAM-MRVPVSSYSA-N 1 0 238.381 3.076 10 0 BGAERO C[NH2+][C@H](C)c1csc(-c2ccccc2C)n1 ZINC000070841051 173450475 /nfs/dbraw/zinc/45/04/75/173450475.db2.gz YMKNKEZKNOKPFB-SNVBAGLBSA-N 1 0 232.352 3.399 10 0 BGAERO CC[NH2+][C@@H](C)c1csc(CC(C)C)n1 ZINC000070841394 170143082 /nfs/dbraw/zinc/14/30/82/170143082.db2.gz MHXQXCOOJSTHTN-VIFPVBQESA-N 1 0 212.362 3.012 10 0 BGAERO CC[NH2+][C@H](C)c1csc(CC(C)C)n1 ZINC000070841402 170159887 /nfs/dbraw/zinc/15/98/87/170159887.db2.gz MHXQXCOOJSTHTN-SECBINFHSA-N 1 0 212.362 3.012 10 0 BGAERO CC[NH2+][C@@H](C)c1csc(-c2ccco2)n1 ZINC000070841438 170142921 /nfs/dbraw/zinc/14/29/21/170142921.db2.gz BDTMHSCASQXXPZ-QMMMGPOBSA-N 1 0 222.313 3.074 10 0 BGAERO CC[NH2+][C@H](C)c1csc(-c2ccco2)n1 ZINC000070841444 170159987 /nfs/dbraw/zinc/15/99/87/170159987.db2.gz BDTMHSCASQXXPZ-MRVPVSSYSA-N 1 0 222.313 3.074 10 0 BGAERO CCC[NH2+][C@@H](C)c1csc(CC(C)C)n1 ZINC000070841804 169276511 /nfs/dbraw/zinc/27/65/11/169276511.db2.gz MUFFBQWSSPUANX-JTQLQIEISA-N 1 0 226.389 3.402 10 0 BGAERO CCC[NH2+][C@H](C)c1csc(CC(C)C)n1 ZINC000070841812 169288531 /nfs/dbraw/zinc/28/85/31/169288531.db2.gz MUFFBQWSSPUANX-SNVBAGLBSA-N 1 0 226.389 3.402 10 0 BGAERO CCC[NH2+][C@H](C)c1csc(CCC)n1 ZINC000070841819 169288279 /nfs/dbraw/zinc/28/82/79/169288279.db2.gz VBEZINFVQLTICR-SECBINFHSA-N 1 0 212.362 3.156 10 0 BGAERO CCC[NH2+][C@@H](C)c1csc(CCC)n1 ZINC000070841828 169277247 /nfs/dbraw/zinc/27/72/47/169277247.db2.gz VBEZINFVQLTICR-VIFPVBQESA-N 1 0 212.362 3.156 10 0 BGAERO CCC[NH2+][C@@H](C)c1csc(C2CC2)n1 ZINC000070841959 169277504 /nfs/dbraw/zinc/27/75/04/169277504.db2.gz ZVYLJGJLBSDPPS-QMMMGPOBSA-N 1 0 210.346 3.081 10 0 BGAERO CCC[NH2+][C@H](C)c1csc(C2CC2)n1 ZINC000070841964 169288272 /nfs/dbraw/zinc/28/82/72/169288272.db2.gz ZVYLJGJLBSDPPS-MRVPVSSYSA-N 1 0 210.346 3.081 10 0 BGAERO Cc1ccc(-c2nc([C@@H](C)[NH3+])cs2)c(C)c1 ZINC000070842584 178336143 /nfs/dbraw/zinc/33/61/43/178336143.db2.gz OHCYQOXUJJYIIW-SNVBAGLBSA-N 1 0 232.352 3.447 10 0 BGAERO Cc1ccc(-c2nc([C@H](C)[NH3+])cs2)c(C)c1 ZINC000070842589 178337747 /nfs/dbraw/zinc/33/77/47/178337747.db2.gz OHCYQOXUJJYIIW-JTQLQIEISA-N 1 0 232.352 3.447 10 0 BGAERO CCC(C)(C)NC1=[NH+][C@](C)(CC)CS1 ZINC000070889872 374224232 /nfs/dbraw/zinc/22/42/32/374224232.db2.gz QKAZYRMCVBCWMB-LLVKDONJSA-N 1 0 214.378 3.036 10 0 BGAERO CCC(C)(C)NC1=[NH+][C@@](C)(CC)CS1 ZINC000070889878 374206744 /nfs/dbraw/zinc/20/67/44/374206744.db2.gz QKAZYRMCVBCWMB-NSHDSACASA-N 1 0 214.378 3.036 10 0 BGAERO CC[C@]1(C)CSC(NCc2ccccc2)=[NH+]1 ZINC000070890162 374224713 /nfs/dbraw/zinc/22/47/13/374224713.db2.gz ZFUUIRYAPMXEKF-CYBMUJFWSA-N 1 0 234.368 3.048 10 0 BGAERO CC[C@@]1(C)CSC(NCc2ccccc2)=[NH+]1 ZINC000070890168 374224587 /nfs/dbraw/zinc/22/45/87/374224587.db2.gz ZFUUIRYAPMXEKF-ZDUSSCGKSA-N 1 0 234.368 3.048 10 0 BGAERO Cc1cccnc1C[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000070907747 179383741 /nfs/dbraw/zinc/38/37/41/179383741.db2.gz HJDFYDIHWWKHDG-WCQYABFASA-N 1 0 218.344 3.058 10 0 BGAERO Cc1cccnc1C[NH2+][C@H]1CCC[C@H](C)C1 ZINC000070907752 179384963 /nfs/dbraw/zinc/38/49/63/179384963.db2.gz HJDFYDIHWWKHDG-AAEUAGOBSA-N 1 0 218.344 3.058 10 0 BGAERO Cc1cccnc1C[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000070907759 179384697 /nfs/dbraw/zinc/38/46/97/179384697.db2.gz HJDFYDIHWWKHDG-DGCLKSJQSA-N 1 0 218.344 3.058 10 0 BGAERO Cc1cccnc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000070907762 179385123 /nfs/dbraw/zinc/38/51/23/179385123.db2.gz HJDFYDIHWWKHDG-YPMHNXCESA-N 1 0 218.344 3.058 10 0 BGAERO Cc1cccnc1C[NH2+][C@@H](C)c1cccs1 ZINC000070908005 359064892 /nfs/dbraw/zinc/06/48/92/359064892.db2.gz FIFGBSPUGNTGPS-NSHDSACASA-N 1 0 232.352 3.302 10 0 BGAERO Cc1cccnc1C[NH2+][C@H](C)c1cccs1 ZINC000070908010 359064855 /nfs/dbraw/zinc/06/48/55/359064855.db2.gz FIFGBSPUGNTGPS-LLVKDONJSA-N 1 0 232.352 3.302 10 0 BGAERO CC1CCC(C[NH2+]CCC(F)(F)F)CC1 ZINC000070913128 135015407 /nfs/dbraw/zinc/01/54/07/135015407.db2.gz WATBBKWQIIBDHO-UHFFFAOYSA-N 1 0 223.282 3.355 10 0 BGAERO COc1ccc([C@H]([NH3+])CCC(F)(F)F)cc1 ZINC000070917537 361884245 /nfs/dbraw/zinc/88/42/45/361884245.db2.gz VQTRUYSCQPTEGO-SNVBAGLBSA-N 1 0 233.233 3.038 10 0 BGAERO COc1ccc([C@@H]([NH3+])CCC(F)(F)F)cc1 ZINC000070917541 361884114 /nfs/dbraw/zinc/88/41/14/361884114.db2.gz VQTRUYSCQPTEGO-JTQLQIEISA-N 1 0 233.233 3.038 10 0 BGAERO COc1ccccc1[C@H]([NH3+])CCC(F)(F)F ZINC000070917542 361884052 /nfs/dbraw/zinc/88/40/52/361884052.db2.gz FMYBEAZEGKGTMR-SECBINFHSA-N 1 0 233.233 3.038 10 0 BGAERO COc1ccccc1[C@@H]([NH3+])CCC(F)(F)F ZINC000070917545 361883817 /nfs/dbraw/zinc/88/38/17/361883817.db2.gz FMYBEAZEGKGTMR-VIFPVBQESA-N 1 0 233.233 3.038 10 0 BGAERO COc1cccc([C@H]([NH3+])CCC(F)(F)F)c1 ZINC000070917547 343957290 /nfs/dbraw/zinc/95/72/90/343957290.db2.gz MOVRDHGJRLRDCS-SNVBAGLBSA-N 1 0 233.233 3.038 10 0 BGAERO COc1cccc([C@@H]([NH3+])CCC(F)(F)F)c1 ZINC000070917550 343957514 /nfs/dbraw/zinc/95/75/14/343957514.db2.gz MOVRDHGJRLRDCS-JTQLQIEISA-N 1 0 233.233 3.038 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1ccc(F)cc1 ZINC000070917564 361885392 /nfs/dbraw/zinc/88/53/92/361885392.db2.gz IOXPOFDILBPRFM-SECBINFHSA-N 1 0 221.197 3.168 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1ccc(F)cc1 ZINC000070917569 361885283 /nfs/dbraw/zinc/88/52/83/361885283.db2.gz IOXPOFDILBPRFM-VIFPVBQESA-N 1 0 221.197 3.168 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1cccc(F)c1 ZINC000070917577 361885334 /nfs/dbraw/zinc/88/53/34/361885334.db2.gz MDDFSZQGJJJJNJ-SECBINFHSA-N 1 0 221.197 3.168 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1cccc(F)c1 ZINC000070917580 361885398 /nfs/dbraw/zinc/88/53/98/361885398.db2.gz MDDFSZQGJJJJNJ-VIFPVBQESA-N 1 0 221.197 3.168 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1cccs1 ZINC000070917598 361885009 /nfs/dbraw/zinc/88/50/09/361885009.db2.gz NKZHPHMDVCFJIG-ZCFIWIBFSA-N 1 0 209.236 3.090 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1cccs1 ZINC000070917601 361884858 /nfs/dbraw/zinc/88/48/58/361884858.db2.gz NKZHPHMDVCFJIG-LURJTMIESA-N 1 0 209.236 3.090 10 0 BGAERO Cc1ccc([C@H]([NH3+])CCC(F)(F)F)cc1 ZINC000070917619 361884699 /nfs/dbraw/zinc/88/46/99/361884699.db2.gz XDTMPTRBBZQXJB-SNVBAGLBSA-N 1 0 217.234 3.337 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CCC(F)(F)F)cc1 ZINC000070917621 361884951 /nfs/dbraw/zinc/88/49/51/361884951.db2.gz XDTMPTRBBZQXJB-JTQLQIEISA-N 1 0 217.234 3.337 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1ccsc1 ZINC000070917666 361885347 /nfs/dbraw/zinc/88/53/47/361885347.db2.gz QUIDDICXKHOYCP-SSDOTTSWSA-N 1 0 209.236 3.090 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1ccsc1 ZINC000070917669 361884716 /nfs/dbraw/zinc/88/47/16/361884716.db2.gz QUIDDICXKHOYCP-ZETCQYMHSA-N 1 0 209.236 3.090 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000070917672 361884866 /nfs/dbraw/zinc/88/48/66/361884866.db2.gz QBUHXYYOQLXLDK-SECBINFHSA-N 1 0 239.187 3.307 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1ccc(F)c(F)c1 ZINC000070917678 361885073 /nfs/dbraw/zinc/88/50/73/361885073.db2.gz QBUHXYYOQLXLDK-VIFPVBQESA-N 1 0 239.187 3.307 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1ccccc1 ZINC000070917719 361884811 /nfs/dbraw/zinc/88/48/11/361884811.db2.gz AJWAQBPTOKKZKY-SECBINFHSA-N 1 0 203.207 3.029 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1ccccc1 ZINC000070917722 361884828 /nfs/dbraw/zinc/88/48/28/361884828.db2.gz AJWAQBPTOKKZKY-VIFPVBQESA-N 1 0 203.207 3.029 10 0 BGAERO Cc1ccccc1[C@H]([NH3+])CCC(F)(F)F ZINC000070917739 361885174 /nfs/dbraw/zinc/88/51/74/361885174.db2.gz JXNWVGBHSPLBAY-SNVBAGLBSA-N 1 0 217.234 3.337 10 0 BGAERO Cc1ccccc1[C@@H]([NH3+])CCC(F)(F)F ZINC000070917741 361884708 /nfs/dbraw/zinc/88/47/08/361884708.db2.gz JXNWVGBHSPLBAY-JTQLQIEISA-N 1 0 217.234 3.337 10 0 BGAERO Cc1cccc([C@H]([NH3+])CCC(F)(F)F)c1 ZINC000070917742 343568950 /nfs/dbraw/zinc/56/89/50/343568950.db2.gz FHSNBXWKJBJHIK-SNVBAGLBSA-N 1 0 217.234 3.337 10 0 BGAERO Cc1cccc([C@@H]([NH3+])CCC(F)(F)F)c1 ZINC000070917745 361885386 /nfs/dbraw/zinc/88/53/86/361885386.db2.gz FHSNBXWKJBJHIK-JTQLQIEISA-N 1 0 217.234 3.337 10 0 BGAERO Cc1ccc([C@H]([NH3+])CCC(F)(F)F)cc1F ZINC000070917748 343957425 /nfs/dbraw/zinc/95/74/25/343957425.db2.gz INWCYUNGTUFHFV-SNVBAGLBSA-N 1 0 235.224 3.476 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CCC(F)(F)F)cc1F ZINC000070917749 361884941 /nfs/dbraw/zinc/88/49/41/361884941.db2.gz INWCYUNGTUFHFV-JTQLQIEISA-N 1 0 235.224 3.476 10 0 BGAERO Cc1cc([C@H]([NH3+])CCC(F)(F)F)ccc1F ZINC000070917956 361884722 /nfs/dbraw/zinc/88/47/22/361884722.db2.gz WCWSPJODCZSUHX-SNVBAGLBSA-N 1 0 235.224 3.476 10 0 BGAERO Cc1cc([C@@H]([NH3+])CCC(F)(F)F)ccc1F ZINC000070917958 361885234 /nfs/dbraw/zinc/88/52/34/361885234.db2.gz WCWSPJODCZSUHX-JTQLQIEISA-N 1 0 235.224 3.476 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1cc(F)cc(F)c1 ZINC000070918042 361885436 /nfs/dbraw/zinc/88/54/36/361885436.db2.gz UKXFGZIBEMAEQQ-SECBINFHSA-N 1 0 239.187 3.307 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1cc(F)cc(F)c1 ZINC000070918043 361885067 /nfs/dbraw/zinc/88/50/67/361885067.db2.gz UKXFGZIBEMAEQQ-VIFPVBQESA-N 1 0 239.187 3.307 10 0 BGAERO Cc1ccc(F)cc1[C@H]([NH3+])CCC(F)(F)F ZINC000070918118 361885352 /nfs/dbraw/zinc/88/53/52/361885352.db2.gz NDLBSJDQKGNCCN-SNVBAGLBSA-N 1 0 235.224 3.476 10 0 BGAERO Cc1ccc(F)cc1[C@@H]([NH3+])CCC(F)(F)F ZINC000070918119 361885422 /nfs/dbraw/zinc/88/54/22/361885422.db2.gz NDLBSJDQKGNCCN-JTQLQIEISA-N 1 0 235.224 3.476 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1ccc(F)cc1F ZINC000070918221 361885222 /nfs/dbraw/zinc/88/52/22/361885222.db2.gz AUSNVYLTRJLIAV-SECBINFHSA-N 1 0 239.187 3.307 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1ccc(F)cc1F ZINC000070918223 361885189 /nfs/dbraw/zinc/88/51/89/361885189.db2.gz AUSNVYLTRJLIAV-VIFPVBQESA-N 1 0 239.187 3.307 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1ccccc1F ZINC000070918225 361885403 /nfs/dbraw/zinc/88/54/03/361885403.db2.gz NTQCFDBPGDYUTM-SECBINFHSA-N 1 0 221.197 3.168 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1ccccc1F ZINC000070918227 361886641 /nfs/dbraw/zinc/88/66/41/361886641.db2.gz NTQCFDBPGDYUTM-VIFPVBQESA-N 1 0 221.197 3.168 10 0 BGAERO [NH3+][C@H](CCC(F)(F)F)c1cc(F)ccc1F ZINC000070918246 361886242 /nfs/dbraw/zinc/88/62/42/361886242.db2.gz WJRRLPARUUSFLD-SECBINFHSA-N 1 0 239.187 3.307 10 0 BGAERO [NH3+][C@@H](CCC(F)(F)F)c1cc(F)ccc1F ZINC000070918247 361886619 /nfs/dbraw/zinc/88/66/19/361886619.db2.gz WJRRLPARUUSFLD-VIFPVBQESA-N 1 0 239.187 3.307 10 0 BGAERO CC[NH2+][C@@H](CCc1cc(F)ccc1F)C1CC1 ZINC000070940898 170144623 /nfs/dbraw/zinc/14/46/23/170144623.db2.gz DWKIKJUOYALJFW-AWEZNQCLSA-N 1 0 239.309 3.286 10 0 BGAERO CCC[NH2+][C@@H](CCc1ccccc1OC)C1CC1 ZINC000070940914 169278834 /nfs/dbraw/zinc/27/88/34/169278834.db2.gz JUZVFVWZYGCAMD-HNNXBMFYSA-N 1 0 247.382 3.406 10 0 BGAERO CCC[NH2+][C@H](CCc1ccccc1OC)C1CC1 ZINC000070940915 169288785 /nfs/dbraw/zinc/28/87/85/169288785.db2.gz JUZVFVWZYGCAMD-OAHLLOKOSA-N 1 0 247.382 3.406 10 0 BGAERO Cc1ccc2oc([C@H]([NH3+])C(C)C)cc2c1 ZINC000070955077 566272903 /nfs/dbraw/zinc/27/29/03/566272903.db2.gz GBCREXBJSZTOOX-CYBMUJFWSA-N 1 0 203.285 3.397 10 0 BGAERO Cc1ccc2oc([C@@H]([NH3+])C(C)C)cc2c1 ZINC000070955081 566272766 /nfs/dbraw/zinc/27/27/66/566272766.db2.gz GBCREXBJSZTOOX-ZDUSSCGKSA-N 1 0 203.285 3.397 10 0 BGAERO CC(=[NH2+])Nc1ccc(C)c(Br)c1 ZINC000070994281 361925514 /nfs/dbraw/zinc/92/55/14/361925514.db2.gz PNZIQNSTCXLGCN-UHFFFAOYSA-N 1 0 227.105 3.167 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(CC)C2)C1 ZINC000071120124 359072613 /nfs/dbraw/zinc/07/26/13/359072613.db2.gz WSPNNYWBOWJRGE-QLFBSQMISA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(CC)C2)C1 ZINC000071120138 359072475 /nfs/dbraw/zinc/07/24/75/359072475.db2.gz WSPNNYWBOWJRGE-RBSFLKMASA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(CC)C1 ZINC000071161368 388033449 /nfs/dbraw/zinc/03/34/49/388033449.db2.gz CNPWUOSRIGRJAA-KFWWJZLASA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(CC)C1 ZINC000071161370 388033642 /nfs/dbraw/zinc/03/36/42/388033642.db2.gz CNPWUOSRIGRJAA-RBSFLKMASA-N 1 0 238.419 3.029 10 0 BGAERO CC(C)[NH2+][C@@H]1CCCOc2c(F)ccc(F)c21 ZINC000071166975 167134480 /nfs/dbraw/zinc/13/44/80/167134480.db2.gz FIVKSYBNYGXSNB-LLVKDONJSA-N 1 0 241.281 3.177 10 0 BGAERO CC(C)[NH2+][C@H]1CCCOc2c(F)ccc(F)c21 ZINC000071166976 167140274 /nfs/dbraw/zinc/14/02/74/167140274.db2.gz FIVKSYBNYGXSNB-NSHDSACASA-N 1 0 241.281 3.177 10 0 BGAERO NC(=[NH2+])c1ccc(Oc2cc(F)ccc2F)cc1 ZINC000071167849 181195579 /nfs/dbraw/zinc/19/55/79/181195579.db2.gz IBUXXMQDMUWCRF-UHFFFAOYSA-N 1 0 248.232 3.041 10 0 BGAERO NC(=[NH2+])c1ccccc1Oc1cc(F)ccc1F ZINC000071167850 181195895 /nfs/dbraw/zinc/19/58/95/181195895.db2.gz WMFSISVRFTXOFD-UHFFFAOYSA-N 1 0 248.232 3.041 10 0 BGAERO CCC(C)(C)[NH2+]CCOc1cc(F)ccc1F ZINC000071169005 168298758 /nfs/dbraw/zinc/29/87/58/168298758.db2.gz LIEOVRKGEQWNRY-UHFFFAOYSA-N 1 0 243.297 3.122 10 0 BGAERO CC[C@H](C)C[C@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000071169612 171299170 /nfs/dbraw/zinc/29/91/70/171299170.db2.gz YUZRKAPYTDOVCO-WFASDCNBSA-N 1 0 235.371 3.391 10 0 BGAERO CC[C@H](C)C[C@@](C)([NH3+])Cc1ccc(OC)cc1 ZINC000071169614 171296608 /nfs/dbraw/zinc/29/66/08/171296608.db2.gz YUZRKAPYTDOVCO-SWLSCSKDSA-N 1 0 235.371 3.391 10 0 BGAERO C[NH2+]C[C@H]1CCN(c2ccccc2C(C)(C)C)C1 ZINC000071174503 173382065 /nfs/dbraw/zinc/38/20/65/173382065.db2.gz XOJFTEFHTBXLGM-CYBMUJFWSA-N 1 0 246.398 3.030 10 0 BGAERO C[NH2+]C[C@@H]1CCN(c2ccccc2C(C)(C)C)C1 ZINC000071174504 173371045 /nfs/dbraw/zinc/37/10/45/173371045.db2.gz XOJFTEFHTBXLGM-ZDUSSCGKSA-N 1 0 246.398 3.030 10 0 BGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000071205758 176131801 /nfs/dbraw/zinc/13/18/01/176131801.db2.gz BJPMDNZZYHEYFF-KWCYVHTRSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000071205760 176150663 /nfs/dbraw/zinc/15/06/63/176150663.db2.gz BJPMDNZZYHEYFF-MRVWCRGKSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]1CCC[C@@H]1Nc1ccc(N)c2c[nH+]ccc12 ZINC000071206886 176132928 /nfs/dbraw/zinc/13/29/28/176132928.db2.gz ZCVBMVDXIHGWAW-YGRLFVJLSA-N 1 0 241.338 3.418 10 0 BGAERO C[C@H]1CCC[C@@H]1Nc1ccc(N)c2c[nH+]ccc12 ZINC000071206887 177126599 /nfs/dbraw/zinc/12/65/99/177126599.db2.gz ZCVBMVDXIHGWAW-HZMBPMFUSA-N 1 0 241.338 3.418 10 0 BGAERO C[C@@H]1CCC[C@H]1Nc1ccc(N)c2c[nH+]ccc12 ZINC000071206888 176151304 /nfs/dbraw/zinc/15/13/04/176151304.db2.gz ZCVBMVDXIHGWAW-QMTHXVAHSA-N 1 0 241.338 3.418 10 0 BGAERO C[C@H]1CCC[C@H]1Nc1ccc(N)c2c[nH+]ccc12 ZINC000071206889 177142857 /nfs/dbraw/zinc/14/28/57/177142857.db2.gz ZCVBMVDXIHGWAW-IINYFYTJSA-N 1 0 241.338 3.418 10 0 BGAERO C[C@@H]1CCC[C@@H]1n1c(N)[nH+]c2cc(F)ccc21 ZINC000071208697 176132412 /nfs/dbraw/zinc/13/24/12/176132412.db2.gz KQOXYTVQHBVESJ-KCJUWKMLSA-N 1 0 233.290 3.119 10 0 BGAERO C[C@H]1CCC[C@@H]1n1c(N)[nH+]c2cc(F)ccc21 ZINC000071208698 177127301 /nfs/dbraw/zinc/12/73/01/177127301.db2.gz KQOXYTVQHBVESJ-KWQFWETISA-N 1 0 233.290 3.119 10 0 BGAERO C[C@@H]1CCC[C@H]1n1c(N)[nH+]c2cc(F)ccc21 ZINC000071208699 176151095 /nfs/dbraw/zinc/15/10/95/176151095.db2.gz KQOXYTVQHBVESJ-LDYMZIIASA-N 1 0 233.290 3.119 10 0 BGAERO C[C@H]1CCC[C@H]1n1c(N)[nH+]c2cc(F)ccc21 ZINC000071208700 177143570 /nfs/dbraw/zinc/14/35/70/177143570.db2.gz KQOXYTVQHBVESJ-GZMMTYOYSA-N 1 0 233.290 3.119 10 0 BGAERO Cc1ncsc1C[NH2+][C@@H](C)c1ccc(O)cc1 ZINC000071212424 180322611 /nfs/dbraw/zinc/32/26/11/180322611.db2.gz JYKSDTQXCJZLNS-VIFPVBQESA-N 1 0 248.351 3.008 10 0 BGAERO Cc1ncsc1C[NH2+][C@H](C)c1ccc(O)cc1 ZINC000071212425 180321698 /nfs/dbraw/zinc/32/16/98/180321698.db2.gz JYKSDTQXCJZLNS-SECBINFHSA-N 1 0 248.351 3.008 10 0 BGAERO [NH3+]Cc1cc(F)ccc1COc1ccccc1F ZINC000071264036 181477385 /nfs/dbraw/zinc/47/73/85/181477385.db2.gz ZJTCUIXZQPGEDU-UHFFFAOYSA-N 1 0 249.260 3.003 10 0 BGAERO [NH2+]=C1c2cc(F)ccc2CN1CC1CCCC1 ZINC000071268726 181208111 /nfs/dbraw/zinc/20/81/11/181208111.db2.gz ZEHYTQNJQVZQSN-UHFFFAOYSA-N 1 0 232.302 3.157 10 0 BGAERO CC[C@H](C)[C@@H](C)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268869 171362255 /nfs/dbraw/zinc/36/22/55/171362255.db2.gz PFAHZOUQRVOZPO-VHSXEESVSA-N 1 0 234.318 3.401 10 0 BGAERO CC[C@H](C(C)C)N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071268883 171242426 /nfs/dbraw/zinc/24/24/26/171242426.db2.gz HFVDWQZJTRABBQ-CYBMUJFWSA-N 1 0 234.318 3.401 10 0 BGAERO C[C@@H]1CCC[C@@H]1N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269267 176128280 /nfs/dbraw/zinc/12/82/80/176128280.db2.gz OEJCUCCPWNWCEO-RNCFNFMXSA-N 1 0 232.302 3.155 10 0 BGAERO C[C@H]1CCC[C@@H]1N1Cc2ccc(F)cc2C1=[NH2+] ZINC000071269270 177124222 /nfs/dbraw/zinc/12/42/22/177124222.db2.gz OEJCUCCPWNWCEO-ZANVPECISA-N 1 0 232.302 3.155 10 0 BGAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071277835 643113531 /nfs/dbraw/zinc/11/35/31/643113531.db2.gz LVKMMDFPDFJITP-WBMJQRKESA-N 1 0 247.382 3.232 10 0 BGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071277836 643113111 /nfs/dbraw/zinc/11/31/11/643113111.db2.gz LVKMMDFPDFJITP-LRDDRELGSA-N 1 0 247.382 3.232 10 0 BGAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071277837 643113861 /nfs/dbraw/zinc/11/38/61/643113861.db2.gz LVKMMDFPDFJITP-MLGOLLRUSA-N 1 0 247.382 3.232 10 0 BGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071277839 643114759 /nfs/dbraw/zinc/11/47/59/643114759.db2.gz LVKMMDFPDFJITP-BLLLJJGKSA-N 1 0 247.382 3.232 10 0 BGAERO CCCc1ccc([C@@H](C)[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071299255 169573709 /nfs/dbraw/zinc/57/37/09/169573709.db2.gz SKWVIHHVXDUHLR-WBMJQRKESA-N 1 0 247.382 3.061 10 0 BGAERO CCC[C@H]([NH3+])c1cc(Br)cs1 ZINC000071303619 374261951 /nfs/dbraw/zinc/26/19/51/374261951.db2.gz QAEOYYXZWHKHHA-ZETCQYMHSA-N 1 0 234.162 3.311 10 0 BGAERO CCC[C@@H]([NH3+])c1cc(Br)cs1 ZINC000071303620 374262328 /nfs/dbraw/zinc/26/23/28/374262328.db2.gz QAEOYYXZWHKHHA-SSDOTTSWSA-N 1 0 234.162 3.311 10 0 BGAERO Cc1cc(C)c([C@H]2C[NH2+]C[C@H](C3CC3)O2)c(C)c1 ZINC000071308590 177876079 /nfs/dbraw/zinc/87/60/79/177876079.db2.gz DIEKBMQIMIISIY-HUUCEWRRSA-N 1 0 245.366 3.051 10 0 BGAERO CCN([C@@H](C)c1ccc(C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000071312221 169940722 /nfs/dbraw/zinc/94/07/22/169940722.db2.gz BVNCEEUCGZMYMW-GOEBONIOSA-N 1 0 246.398 3.048 10 0 BGAERO CCCN([C@@H](C)c1ccc(C)cc1)[C@@H]1CC[NH2+]C1 ZINC000071314502 169181576 /nfs/dbraw/zinc/18/15/76/169181576.db2.gz GFFARZFBMOXKDX-GOEBONIOSA-N 1 0 246.398 3.130 10 0 BGAERO CCCN([C@@H](C)c1ccc(C)cc1)[C@H]1CC[NH2+]C1 ZINC000071314503 169181968 /nfs/dbraw/zinc/18/19/68/169181968.db2.gz GFFARZFBMOXKDX-HOCLYGCPSA-N 1 0 246.398 3.130 10 0 BGAERO CCCN([C@@H](C)C1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000071314850 169180503 /nfs/dbraw/zinc/18/05/03/169180503.db2.gz GDZYRTCGHYECMD-DZGCQCFKSA-N 1 0 238.419 3.029 10 0 BGAERO CCCN([C@@H](C)C1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000071314851 169181150 /nfs/dbraw/zinc/18/11/50/169181150.db2.gz GDZYRTCGHYECMD-ZFWWWQNUSA-N 1 0 238.419 3.029 10 0 BGAERO FCC1([NH2+]Cc2ccccc2)CCCC1 ZINC000071372383 592260707 /nfs/dbraw/zinc/26/07/07/592260707.db2.gz GTIZHARRTSJOAF-UHFFFAOYSA-N 1 0 207.292 3.059 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(C)cc(-c2ccccc2)n1 ZINC000071396810 169393524 /nfs/dbraw/zinc/39/35/24/169393524.db2.gz VVDIBOWBYQZRDT-CYBMUJFWSA-N 1 0 241.338 3.252 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ncc(-c2ccccc2)cn1 ZINC000071396831 188130936 /nfs/dbraw/zinc/13/09/36/188130936.db2.gz MNZGNBIISKDURB-CYBMUJFWSA-N 1 0 241.338 3.190 10 0 BGAERO CCC([NH3+])(CC)c1nc(C)cc(C(C)(C)C)n1 ZINC000071397819 168417070 /nfs/dbraw/zinc/41/70/70/168417070.db2.gz ZGARPUVMRQEEPG-UHFFFAOYSA-N 1 0 235.375 3.057 10 0 BGAERO CCC[C@@H]([NH3+])c1nc(C)cc(C2CCCC2)n1 ZINC000071397840 169393878 /nfs/dbraw/zinc/39/38/78/169393878.db2.gz AFDHVEDEJAJESP-GFCCVEGCSA-N 1 0 233.359 3.243 10 0 BGAERO CC[C@H]([NH3+])Cc1nc(C)cc(C2CCCCC2)n1 ZINC000071397870 171486342 /nfs/dbraw/zinc/48/63/42/171486342.db2.gz FWJKANUNAIMEJY-ZDUSSCGKSA-N 1 0 247.386 3.113 10 0 BGAERO c1cc(C2CCCCC2)nc([C@@H]2CCCC[NH2+]2)n1 ZINC000071397876 183334761 /nfs/dbraw/zinc/33/47/61/183334761.db2.gz ZGBLVBWAMSRFCQ-AWEZNQCLSA-N 1 0 245.370 3.339 10 0 BGAERO c1cc(C2CCCCC2)nc([C@H]2CCCC[NH2+]2)n1 ZINC000071397877 183337206 /nfs/dbraw/zinc/33/72/06/183337206.db2.gz ZGBLVBWAMSRFCQ-CQSZACIVSA-N 1 0 245.370 3.339 10 0 BGAERO CC[C@@](C)([NH3+])c1nccc(C2CCCCC2)n1 ZINC000071397899 171171964 /nfs/dbraw/zinc/17/19/64/171171964.db2.gz IUFCSGNCVGDKMX-CQSZACIVSA-N 1 0 233.359 3.108 10 0 BGAERO CCC[C@H]([NH3+])c1nc(C2CC2)cc(C2CC2)n1 ZINC000071398056 169505054 /nfs/dbraw/zinc/50/50/54/169505054.db2.gz GACLBIKTULAPIA-NSHDSACASA-N 1 0 231.343 3.031 10 0 BGAERO CC[C@@](C)([NH3+])c1nc(C(C)C)cc(C(C)C)n1 ZINC000071398099 171171958 /nfs/dbraw/zinc/17/19/58/171171958.db2.gz RDELQYRBLXSTJS-CQSZACIVSA-N 1 0 235.375 3.307 10 0 BGAERO CC(C)C[NH2+]Cc1ccc(O)c(C(F)(F)F)c1 ZINC000071398824 167007991 /nfs/dbraw/zinc/00/79/91/167007991.db2.gz BIYJYTOGDDUNLA-UHFFFAOYSA-N 1 0 247.260 3.157 10 0 BGAERO CC[C@H](C)Oc1ccc(C)cc1C[NH2+]C1CC1 ZINC000071406972 171356128 /nfs/dbraw/zinc/35/61/28/171356128.db2.gz IEGLGUQQZNFVER-LBPRGKRZSA-N 1 0 233.355 3.424 10 0 BGAERO CCC[C@@H](C)COc1ccc(C)cc1CC[NH3+] ZINC000071411536 169361317 /nfs/dbraw/zinc/36/13/17/169361317.db2.gz HZGUXZKVROKFGK-CYBMUJFWSA-N 1 0 235.371 3.311 10 0 BGAERO CCC[C@H](C)COc1ccc(C)cc1CC[NH3+] ZINC000071411538 169483981 /nfs/dbraw/zinc/48/39/81/169483981.db2.gz HZGUXZKVROKFGK-ZDUSSCGKSA-N 1 0 235.371 3.311 10 0 BGAERO Cc1ccc(OCCC(C)C)c(C[C@@H](C)[NH3+])c1 ZINC000071411799 178810452 /nfs/dbraw/zinc/81/04/52/178810452.db2.gz RHXQEGJJNCHMAD-CYBMUJFWSA-N 1 0 235.371 3.310 10 0 BGAERO Cc1ccc(OCCC(C)C)c(C[C@H](C)[NH3+])c1 ZINC000071411800 178810621 /nfs/dbraw/zinc/81/06/21/178810621.db2.gz RHXQEGJJNCHMAD-ZDUSSCGKSA-N 1 0 235.371 3.310 10 0 BGAERO CC[C@@H]([NH3+])Cc1cc(C)ccc1O[C@@H](C)CC ZINC000071412335 171356225 /nfs/dbraw/zinc/35/62/25/171356225.db2.gz OTBKXYYBWGJVMJ-GXTWGEPZSA-N 1 0 235.371 3.452 10 0 BGAERO CC[C@H]([NH3+])Cc1cc(C)ccc1O[C@@H](C)CC ZINC000071412337 171485344 /nfs/dbraw/zinc/48/53/44/171485344.db2.gz OTBKXYYBWGJVMJ-JSGCOSHPSA-N 1 0 235.371 3.452 10 0 BGAERO CC[C@@H](Cc1ccc(Cl)c(C)c1)[NH2+]C ZINC000071423043 643509691 /nfs/dbraw/zinc/50/96/91/643509691.db2.gz CMNRCIQGEXPWCF-NSHDSACASA-N 1 0 211.736 3.189 10 0 BGAERO CC[C@H](Cc1ccc(Cl)c(C)c1)[NH2+]C ZINC000071423044 643145642 /nfs/dbraw/zinc/14/56/42/643145642.db2.gz CMNRCIQGEXPWCF-LLVKDONJSA-N 1 0 211.736 3.189 10 0 BGAERO CCCC[C@H]([NH3+])Cc1ccc(CC)cc1 ZINC000071424408 169009338 /nfs/dbraw/zinc/00/93/38/169009338.db2.gz VELNATZMLAUMMW-AWEZNQCLSA-N 1 0 205.345 3.309 10 0 BGAERO CCCC[C@H]([NH3+])Cc1cc(C)ccc1OC ZINC000071424422 169008595 /nfs/dbraw/zinc/00/85/95/169008595.db2.gz FEQUHELSEJDKGX-ZDUSSCGKSA-N 1 0 221.344 3.064 10 0 BGAERO CCCC[C@H]([NH3+])Cc1ccc2c(c1)CCC2 ZINC000071424468 169009715 /nfs/dbraw/zinc/00/97/15/169009715.db2.gz CWUFQVQZZVDQSZ-HNNXBMFYSA-N 1 0 217.356 3.235 10 0 BGAERO CCCC[C@H]([NH3+])Cc1cc(F)ccc1F ZINC000071424514 169009478 /nfs/dbraw/zinc/00/94/78/169009478.db2.gz LCZPOMMVNFSRCI-NSHDSACASA-N 1 0 213.271 3.025 10 0 BGAERO CCCC[C@H]([NH3+])Cc1ccc(F)c(F)c1 ZINC000071424516 169008783 /nfs/dbraw/zinc/00/87/83/169008783.db2.gz YUHYHRNRNMAKJN-JTQLQIEISA-N 1 0 213.271 3.025 10 0 BGAERO CCC[C@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000071424526 643145520 /nfs/dbraw/zinc/14/55/20/643145520.db2.gz TUBDTFOUADHBTQ-NSHDSACASA-N 1 0 211.736 3.318 10 0 BGAERO CCC[C@@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000071424527 643146158 /nfs/dbraw/zinc/14/61/58/643146158.db2.gz TUBDTFOUADHBTQ-LLVKDONJSA-N 1 0 211.736 3.318 10 0 BGAERO Cc1cc(C[C@H]([NH3+])C(C)C)ccc1Cl ZINC000071424700 178057881 /nfs/dbraw/zinc/05/78/81/178057881.db2.gz GESDZUAKWRAQDQ-LBPRGKRZSA-N 1 0 211.736 3.174 10 0 BGAERO Cc1cc(C[C@@H]([NH3+])C(C)C)ccc1Cl ZINC000071424701 178055504 /nfs/dbraw/zinc/05/55/04/178055504.db2.gz GESDZUAKWRAQDQ-GFCCVEGCSA-N 1 0 211.736 3.174 10 0 BGAERO CCCOc1ccc(C[C@H]([NH3+])C(C)C)cc1 ZINC000071424706 169319140 /nfs/dbraw/zinc/31/91/40/169319140.db2.gz MEYKIDLJQGYUJE-AWEZNQCLSA-N 1 0 221.344 3.001 10 0 BGAERO CCCOc1ccc(C[C@@H]([NH3+])C(C)C)cc1 ZINC000071424707 169319286 /nfs/dbraw/zinc/31/92/86/169319286.db2.gz MEYKIDLJQGYUJE-CQSZACIVSA-N 1 0 221.344 3.001 10 0 BGAERO Cc1cc(C[C@@H]2CCC[NH2+]C2)ccc1Cl ZINC000071424882 643144798 /nfs/dbraw/zinc/14/47/98/643144798.db2.gz MCLFLKCSVHIBRG-LBPRGKRZSA-N 1 0 223.747 3.191 10 0 BGAERO Cc1cc(C[C@H]2CCC[NH2+]C2)ccc1Cl ZINC000071424883 635479814 /nfs/dbraw/zinc/47/98/14/635479814.db2.gz MCLFLKCSVHIBRG-GFCCVEGCSA-N 1 0 223.747 3.191 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCc1cccc(N)c1 ZINC000071426125 177117418 /nfs/dbraw/zinc/11/74/18/177117418.db2.gz XVWLTXQFHKPPSJ-BETUJISGSA-N 1 0 232.371 3.074 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1CCc1cccc(N)c1 ZINC000071426126 177131463 /nfs/dbraw/zinc/13/14/63/177131463.db2.gz XVWLTXQFHKPPSJ-STQMWFEESA-N 1 0 232.371 3.074 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCc1cccc(N)c1 ZINC000071426127 176115234 /nfs/dbraw/zinc/11/52/34/176115234.db2.gz XVWLTXQFHKPPSJ-CHWSQXEVSA-N 1 0 232.371 3.074 10 0 BGAERO Nc1cccc(CC[NH2+]C2CCCCCC2)c1 ZINC000071428920 181743222 /nfs/dbraw/zinc/74/32/22/181743222.db2.gz AVJISHXSMSXCMS-UHFFFAOYSA-N 1 0 232.371 3.124 10 0 BGAERO CC[NH2+]CCc1ccc(CC(C)C)cc1 ZINC000071443864 170117067 /nfs/dbraw/zinc/11/70/67/170117067.db2.gz LDIXGQNDTBYDPI-UHFFFAOYSA-N 1 0 205.345 3.037 10 0 BGAERO CCC[NH2+]CCc1ccc(Cl)c(C)c1 ZINC000071443871 635478195 /nfs/dbraw/zinc/47/81/95/635478195.db2.gz YUYHLTXSPSBFHZ-UHFFFAOYSA-N 1 0 211.736 3.191 10 0 BGAERO CCC[NH2+]CCc1ccc(CC(C)C)cc1 ZINC000071443900 169261589 /nfs/dbraw/zinc/26/15/89/169261589.db2.gz KNPKFTWVIHZTRH-UHFFFAOYSA-N 1 0 219.372 3.427 10 0 BGAERO CC[NH2+][C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000071444231 643146545 /nfs/dbraw/zinc/14/65/45/643146545.db2.gz ITPJQWNVVBEKCK-JTQLQIEISA-N 1 0 211.736 3.189 10 0 BGAERO CC[NH2+][C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000071444232 643146144 /nfs/dbraw/zinc/14/61/44/643146144.db2.gz ITPJQWNVVBEKCK-SNVBAGLBSA-N 1 0 211.736 3.189 10 0 BGAERO CCCOc1ccc(C[C@@H](C)[NH2+]CC)cc1 ZINC000071444237 169319076 /nfs/dbraw/zinc/31/90/76/169319076.db2.gz IBTFRGMKURFZAJ-GFCCVEGCSA-N 1 0 221.344 3.016 10 0 BGAERO CCCOc1ccc(C[C@H](C)[NH2+]CC)cc1 ZINC000071444238 169319271 /nfs/dbraw/zinc/31/92/71/169319271.db2.gz IBTFRGMKURFZAJ-LBPRGKRZSA-N 1 0 221.344 3.016 10 0 BGAERO CC[NH2+][C@@H](C)Cc1ccc(OC(C)C)cc1 ZINC000071444239 170140129 /nfs/dbraw/zinc/14/01/29/170140129.db2.gz CONNUPXJQPMWGQ-LBPRGKRZSA-N 1 0 221.344 3.014 10 0 BGAERO CC[NH2+][C@H](C)Cc1ccc(OC(C)C)cc1 ZINC000071444240 170157389 /nfs/dbraw/zinc/15/73/89/170157389.db2.gz CONNUPXJQPMWGQ-GFCCVEGCSA-N 1 0 221.344 3.014 10 0 BGAERO CC[NH2+][C@@H](C)Cc1ccc(CC(C)C)cc1 ZINC000071444307 170140227 /nfs/dbraw/zinc/14/02/27/170140227.db2.gz GILKEBKNUBFWOH-ZDUSSCGKSA-N 1 0 219.372 3.426 10 0 BGAERO CC[NH2+][C@H](C)Cc1ccc(CC(C)C)cc1 ZINC000071444308 170158136 /nfs/dbraw/zinc/15/81/36/170158136.db2.gz GILKEBKNUBFWOH-CYBMUJFWSA-N 1 0 219.372 3.426 10 0 BGAERO CCC[NH2+][C@@H](C)Cc1ccc(OCC)cc1 ZINC000071444333 169274133 /nfs/dbraw/zinc/27/41/33/169274133.db2.gz XONFGEHHNYRYOV-LBPRGKRZSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+][C@H](C)Cc1ccc(OCC)cc1 ZINC000071444334 169286315 /nfs/dbraw/zinc/28/63/15/169286315.db2.gz XONFGEHHNYRYOV-GFCCVEGCSA-N 1 0 221.344 3.016 10 0 BGAERO CCC[NH2+][C@@H](C)Cc1ccc(OCCC)cc1 ZINC000071444335 169274175 /nfs/dbraw/zinc/27/41/75/169274175.db2.gz CMNVIWWATJTBPA-ZDUSSCGKSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+][C@H](C)Cc1ccc(OCCC)cc1 ZINC000071444336 169285942 /nfs/dbraw/zinc/28/59/42/169285942.db2.gz CMNVIWWATJTBPA-CYBMUJFWSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+][C@@H](C)Cc1ccc(OC(C)C)cc1 ZINC000071444337 169274824 /nfs/dbraw/zinc/27/48/24/169274824.db2.gz MIBIAHJJVCUCFI-ZDUSSCGKSA-N 1 0 235.371 3.404 10 0 BGAERO CCC[NH2+][C@H](C)Cc1ccc(OC(C)C)cc1 ZINC000071444338 169286170 /nfs/dbraw/zinc/28/61/70/169286170.db2.gz MIBIAHJJVCUCFI-CYBMUJFWSA-N 1 0 235.371 3.404 10 0 BGAERO CC[C@H]([NH3+])c1ccc(C(F)(F)F)cc1OC ZINC000071445450 171490617 /nfs/dbraw/zinc/49/06/17/171490617.db2.gz RPENJGVCCCIYBC-VIFPVBQESA-N 1 0 233.233 3.124 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1OC ZINC000071445451 388093410 /nfs/dbraw/zinc/09/34/10/388093410.db2.gz RPENJGVCCCIYBC-SECBINFHSA-N 1 0 233.233 3.124 10 0 BGAERO CC[C@H]([NH3+])c1c(OC)ccc2ccccc21 ZINC000071445650 388093389 /nfs/dbraw/zinc/09/33/89/388093389.db2.gz KJWNAQJKOWCDCB-LBPRGKRZSA-N 1 0 215.296 3.258 10 0 BGAERO CC[C@@H]([NH3+])c1c(OC)ccc2ccccc21 ZINC000071445651 388093362 /nfs/dbraw/zinc/09/33/62/388093362.db2.gz KJWNAQJKOWCDCB-GFCCVEGCSA-N 1 0 215.296 3.258 10 0 BGAERO CC[C@H]([NH3+])c1ccc(O)c(C(C)(C)C)c1 ZINC000071452295 643511951 /nfs/dbraw/zinc/51/19/51/643511951.db2.gz ZJKKKFYBKTVABZ-NSHDSACASA-N 1 0 207.317 3.100 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(O)c(C(C)(C)C)c1 ZINC000071452296 643512343 /nfs/dbraw/zinc/51/23/43/643512343.db2.gz ZJKKKFYBKTVABZ-LLVKDONJSA-N 1 0 207.317 3.100 10 0 BGAERO CCCOc1ccc(C[NH3+])cc1C(C)C ZINC000071452649 169318585 /nfs/dbraw/zinc/31/85/85/169318585.db2.gz QANDSYLVUVFDTM-UHFFFAOYSA-N 1 0 207.317 3.058 10 0 BGAERO C[NH2+]Cc1oc2ccc(Cl)cc2c1C ZINC000071453059 173399760 /nfs/dbraw/zinc/39/97/60/173399760.db2.gz MPPMGCUXEXPYBX-UHFFFAOYSA-N 1 0 209.676 3.114 10 0 BGAERO CC[C@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000071453318 398015825 /nfs/dbraw/zinc/01/58/25/398015825.db2.gz PHPMCGJEBUCPEV-JTQLQIEISA-N 1 0 228.133 3.167 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000071453319 398015795 /nfs/dbraw/zinc/01/57/95/398015795.db2.gz PHPMCGJEBUCPEV-SNVBAGLBSA-N 1 0 228.133 3.167 10 0 BGAERO CCCSc1ccc(Cl)cc1CC[NH3+] ZINC000071453669 169341578 /nfs/dbraw/zinc/34/15/78/169341578.db2.gz KKJVZCBTAMVSKS-UHFFFAOYSA-N 1 0 229.776 3.343 10 0 BGAERO CC(C)Sc1ccc(Cl)cc1CC[NH3+] ZINC000071454158 167337474 /nfs/dbraw/zinc/33/74/74/167337474.db2.gz QMJLZCSDTQBYDH-UHFFFAOYSA-N 1 0 229.776 3.342 10 0 BGAERO CC[C@H]([NH3+])c1cc(Cl)ccc1SC ZINC000071454253 171490643 /nfs/dbraw/zinc/49/06/43/171490643.db2.gz FBPDXZUUSIPHIG-VIFPVBQESA-N 1 0 215.749 3.472 10 0 BGAERO CC[C@H]([NH3+])c1cc(C(C)C)c(O)cc1C ZINC000071455983 643147159 /nfs/dbraw/zinc/14/71/59/643147159.db2.gz JEHOXKCJJJSXCA-LBPRGKRZSA-N 1 0 207.317 3.234 10 0 BGAERO CC[C@@H]([NH3+])c1cc(C(C)C)c(O)cc1C ZINC000071455984 643512799 /nfs/dbraw/zinc/51/27/99/643512799.db2.gz JEHOXKCJJJSXCA-GFCCVEGCSA-N 1 0 207.317 3.234 10 0 BGAERO CC[C@H]([NH3+])c1cc(Cl)cc(Cl)c1OC ZINC000071462890 171489765 /nfs/dbraw/zinc/48/97/65/171489765.db2.gz QUZOLPIRDRFOOG-VIFPVBQESA-N 1 0 234.126 3.412 10 0 BGAERO CC[C@@H]([NH3+])c1cc(Cl)cc(Cl)c1OC ZINC000071462891 170870221 /nfs/dbraw/zinc/87/02/21/170870221.db2.gz QUZOLPIRDRFOOG-SECBINFHSA-N 1 0 234.126 3.412 10 0 BGAERO c1sc(-c2ccccc2)nc1[C@@H]1CCC[NH2+]1 ZINC000071484799 183382656 /nfs/dbraw/zinc/38/26/56/183382656.db2.gz VZLBDZZPBWSKFZ-NSHDSACASA-N 1 0 230.336 3.235 10 0 BGAERO C[C@H]([NH3+])c1c[nH]c2ccc(C(C)(C)C)cc21 ZINC000071487934 384923706 /nfs/dbraw/zinc/92/37/06/384923706.db2.gz BALMOVYHNALPQY-VIFPVBQESA-N 1 0 216.328 3.485 10 0 BGAERO C[C@@H]([NH3+])c1c[nH]c2ccc(C(C)(C)C)cc21 ZINC000071487935 384924859 /nfs/dbraw/zinc/92/48/59/384924859.db2.gz BALMOVYHNALPQY-SECBINFHSA-N 1 0 216.328 3.485 10 0 BGAERO CC[C@H]([NH3+])c1c[nH]c2cc(Cl)ccc21 ZINC000071488026 388095109 /nfs/dbraw/zinc/09/51/09/388095109.db2.gz KZZKXCMGYRKBIQ-JTQLQIEISA-N 1 0 208.692 3.231 10 0 BGAERO CC[C@@H]([NH3+])c1c[nH]c2c1cccc2Cl ZINC000071488062 388095076 /nfs/dbraw/zinc/09/50/76/388095076.db2.gz NCIUNLHKECLVJH-SNVBAGLBSA-N 1 0 208.692 3.231 10 0 BGAERO CCc1cccc2c([C@@H]([NH3+])C(C)C)c[nH]c21 ZINC000071488125 171868075 /nfs/dbraw/zinc/86/80/75/171868075.db2.gz XVPZANTWTIIZPH-ZDUSSCGKSA-N 1 0 216.328 3.386 10 0 BGAERO CC(C)[C@H]([NH3+])c1c[nH]c2c1cccc2Cl ZINC000071488136 259332113 /nfs/dbraw/zinc/33/21/13/259332113.db2.gz NDUUORACTZQBSM-NSHDSACASA-N 1 0 222.719 3.477 10 0 BGAERO [NH3+][C@@H](c1c[nH]c2ccccc12)C1CCCC1 ZINC000071488284 388444968 /nfs/dbraw/zinc/44/49/68/388444968.db2.gz YYONJRQMUFZZOK-CQSZACIVSA-N 1 0 214.312 3.358 10 0 BGAERO [NH3+][C@H](c1c[nH]c2ccccc12)C1CCCC1 ZINC000071488286 181629615 /nfs/dbraw/zinc/62/96/15/181629615.db2.gz YYONJRQMUFZZOK-AWEZNQCLSA-N 1 0 214.312 3.358 10 0 BGAERO [NH3+][C@@H]1c2cccc(Cl)c2CCC12CC2 ZINC000071489393 181601654 /nfs/dbraw/zinc/60/16/54/181601654.db2.gz FGNKSHLDKMCQAN-LLVKDONJSA-N 1 0 207.704 3.066 10 0 BGAERO CC[C@H]([NH3+])c1cn(C)c2cc(Cl)ccc12 ZINC000071492860 171491789 /nfs/dbraw/zinc/49/17/89/171491789.db2.gz NVJPMKLQXNHNAE-NSHDSACASA-N 1 0 222.719 3.242 10 0 BGAERO Cc1[nH]c2c(cccc2Cl)c1CCC[NH3+] ZINC000071493317 388094954 /nfs/dbraw/zinc/09/49/54/388094954.db2.gz LYHGHLKUZVNSQL-UHFFFAOYSA-N 1 0 222.719 3.021 10 0 BGAERO Cc1[nH]c2c(cccc2Cl)c1[C@@H](C)[NH3+] ZINC000071493693 388095171 /nfs/dbraw/zinc/09/51/71/388095171.db2.gz VMYGTRNXICOLOL-ZCFIWIBFSA-N 1 0 208.692 3.149 10 0 BGAERO Cc1[nH]c2c(cccc2Cl)c1[C@H](C)[NH3+] ZINC000071493694 177508968 /nfs/dbraw/zinc/50/89/68/177508968.db2.gz VMYGTRNXICOLOL-LURJTMIESA-N 1 0 208.692 3.149 10 0 BGAERO Cc1[nH]c2ccccc2c1[C@H]([NH3+])C1CCC1 ZINC000071493797 384927433 /nfs/dbraw/zinc/92/74/33/384927433.db2.gz WMEOZSQRXMKUAV-CQSZACIVSA-N 1 0 214.312 3.276 10 0 BGAERO Cc1[nH]c2ccccc2c1[C@@H]([NH3+])C1CCC1 ZINC000071493798 177516520 /nfs/dbraw/zinc/51/65/20/177516520.db2.gz WMEOZSQRXMKUAV-AWEZNQCLSA-N 1 0 214.312 3.276 10 0 BGAERO C[N@@H+]1CCC[C@@H]1c1ccccc1Br ZINC000071494106 173037453 /nfs/dbraw/zinc/03/74/53/173037453.db2.gz IMOQCUQYWIGYBR-LLVKDONJSA-N 1 0 240.144 3.216 10 0 BGAERO C[N@@H+]1CCC[C@H]1c1ccccc1Br ZINC000071494107 173059413 /nfs/dbraw/zinc/05/94/13/173059413.db2.gz IMOQCUQYWIGYBR-NSHDSACASA-N 1 0 240.144 3.216 10 0 BGAERO c1cc(C2CCCCC2)cc2c1C[NH2+]CC2 ZINC000071494765 643150621 /nfs/dbraw/zinc/15/06/21/643150621.db2.gz MMLFEFFLSSJFEB-UHFFFAOYSA-N 1 0 215.340 3.380 10 0 BGAERO [NH3+]C1(c2ccc(Cl)s2)CCCC1 ZINC000071508336 181333486 /nfs/dbraw/zinc/33/34/86/181333486.db2.gz WRHWXFLNUJJXBL-UHFFFAOYSA-N 1 0 201.722 3.130 10 0 BGAERO CC1([C@H]([NH3+])c2ccc(Cl)s2)CC1 ZINC000071508338 384170043 /nfs/dbraw/zinc/17/00/43/384170043.db2.gz WBFAYYZRZQMFHR-MRVPVSSYSA-N 1 0 201.722 3.201 10 0 BGAERO CC1([C@@H]([NH3+])c2ccc(Cl)s2)CC1 ZINC000071508339 362005061 /nfs/dbraw/zinc/00/50/61/362005061.db2.gz WBFAYYZRZQMFHR-QMMMGPOBSA-N 1 0 201.722 3.201 10 0 BGAERO Cc1cc(C)c([C@@H]([NH3+])C2CCC2)cc1C ZINC000071508774 177872409 /nfs/dbraw/zinc/87/24/09/177872409.db2.gz DCLRKQSGTGSGGQ-AWEZNQCLSA-N 1 0 203.329 3.412 10 0 BGAERO Cc1cc(C)c([C@@H]([NH3+])C2(C)CC2)cc1C ZINC000071508776 177871330 /nfs/dbraw/zinc/87/13/30/177871330.db2.gz FKBZZQWBSDNKEE-CYBMUJFWSA-N 1 0 203.329 3.412 10 0 BGAERO Cc1cc(C)c([C@H]2CCCC[NH2+]2)cc1C ZINC000071508780 177875475 /nfs/dbraw/zinc/87/54/75/177875475.db2.gz JSZKCVXUUOBOBW-CQSZACIVSA-N 1 0 203.329 3.426 10 0 BGAERO CC(C)[C@](C)([NH3+])c1ccc(Cl)s1 ZINC000071508800 388096088 /nfs/dbraw/zinc/09/60/88/388096088.db2.gz SJWOCJXAJLPHJM-VIFPVBQESA-N 1 0 203.738 3.231 10 0 BGAERO CC(C)[C@@](C)([NH3+])c1ccc(Cl)s1 ZINC000071508801 362004822 /nfs/dbraw/zinc/00/48/22/362004822.db2.gz SJWOCJXAJLPHJM-SECBINFHSA-N 1 0 203.738 3.231 10 0 BGAERO CCc1ccc([C@@H](C)CCCC[NH3+])cc1 ZINC000071509860 171829054 /nfs/dbraw/zinc/82/90/54/171829054.db2.gz RDGLMTKPMIBAJI-LBPRGKRZSA-N 1 0 205.345 3.482 10 0 BGAERO CCCCc1ccc(CCC[NH2+]C)cc1 ZINC000071509870 169021152 /nfs/dbraw/zinc/02/11/52/169021152.db2.gz XIARPRHKZLUEHQ-UHFFFAOYSA-N 1 0 205.345 3.181 10 0 BGAERO C[NH2+]CCCc1ccc(CC(C)C)cc1 ZINC000071509872 173350377 /nfs/dbraw/zinc/35/03/77/173350377.db2.gz SEBYDVKKVXWOQL-UHFFFAOYSA-N 1 0 205.345 3.037 10 0 BGAERO CCCc1ccc([C@@H](C)CCC[NH3+])cc1 ZINC000071509876 169573115 /nfs/dbraw/zinc/57/31/15/169573115.db2.gz AIPGOLZLUIIHKQ-LBPRGKRZSA-N 1 0 205.345 3.482 10 0 BGAERO c1ccc(-c2ccc(C3C[NH2+]C3)cc2)cc1 ZINC000071511960 183379513 /nfs/dbraw/zinc/37/95/13/183379513.db2.gz LNFVCXLFPIQTBX-UHFFFAOYSA-N 1 0 209.292 3.040 10 0 BGAERO Cc1cc(C)c(SC[C@@H](C)[NH3+])c(C)c1 ZINC000071512016 177870219 /nfs/dbraw/zinc/87/02/19/177870219.db2.gz NDGHHGRSPFYNTF-LLVKDONJSA-N 1 0 209.358 3.051 10 0 BGAERO [NH3+]C1CCC(c2ccccc2Cl)CC1 ZINC000071512027 181342870 /nfs/dbraw/zinc/34/28/70/181342870.db2.gz VCKLAUSFXMIVFA-UHFFFAOYSA-N 1 0 209.720 3.325 10 0 BGAERO [NH3+]C1CCC(c2cccc(Cl)c2)CC1 ZINC000071512032 181342078 /nfs/dbraw/zinc/34/20/78/181342078.db2.gz KBINPYBXFOINLR-UHFFFAOYSA-N 1 0 209.720 3.325 10 0 BGAERO C[NH2+]C1(c2ccccc2Cl)CCCC1 ZINC000071512037 173321773 /nfs/dbraw/zinc/32/17/73/173321773.db2.gz QSLBAXMTYJMMBC-UHFFFAOYSA-N 1 0 209.720 3.329 10 0 BGAERO C[NH2+]C1(c2cccc(Cl)c2)CCCC1 ZINC000071512046 173322337 /nfs/dbraw/zinc/32/23/37/173322337.db2.gz LYUQDCYCPQHANK-UHFFFAOYSA-N 1 0 209.720 3.329 10 0 BGAERO C[C@H]([NH3+])C1(Cc2cccc(Cl)c2)CC1 ZINC000071512053 384168753 /nfs/dbraw/zinc/16/87/53/384168753.db2.gz BLLKFYKZCPDCMX-VIFPVBQESA-N 1 0 209.720 3.010 10 0 BGAERO C[C@@H]([NH3+])C1(Cc2cccc(Cl)c2)CC1 ZINC000071512054 384170102 /nfs/dbraw/zinc/17/01/02/384170102.db2.gz BLLKFYKZCPDCMX-SECBINFHSA-N 1 0 209.720 3.010 10 0 BGAERO C[NH2+]C1(c2ccc(Cl)cc2)CCCC1 ZINC000071512055 173321823 /nfs/dbraw/zinc/32/18/23/173321823.db2.gz CSLLTFAMIMBDGB-UHFFFAOYSA-N 1 0 209.720 3.329 10 0 BGAERO C[C@H]([NH3+])C1(Cc2ccc(Cl)cc2)CC1 ZINC000071512062 384168235 /nfs/dbraw/zinc/16/82/35/384168235.db2.gz ZTUDEGFUPAHLGI-VIFPVBQESA-N 1 0 209.720 3.010 10 0 BGAERO C[C@@H]([NH3+])C1(Cc2ccc(Cl)cc2)CC1 ZINC000071512063 384168067 /nfs/dbraw/zinc/16/80/67/384168067.db2.gz ZTUDEGFUPAHLGI-SECBINFHSA-N 1 0 209.720 3.010 10 0 BGAERO Clc1ccc([C@@H]2CCC[NH2+]CC2)cc1 ZINC000071512065 388095821 /nfs/dbraw/zinc/09/58/21/388095821.db2.gz SFEGZSYRHVTPAC-SNVBAGLBSA-N 1 0 209.720 3.197 10 0 BGAERO Clc1ccc([C@H]2CCC[NH2+]CC2)cc1 ZINC000071512066 388096461 /nfs/dbraw/zinc/09/64/61/388096461.db2.gz SFEGZSYRHVTPAC-JTQLQIEISA-N 1 0 209.720 3.197 10 0 BGAERO Cc1cc(Cl)ccc1C1([NH3+])CCCC1 ZINC000071512067 178066944 /nfs/dbraw/zinc/06/69/44/178066944.db2.gz PYCPRKFUDWNVRB-UHFFFAOYSA-N 1 0 209.720 3.376 10 0 BGAERO Cc1ccc(C2([NH3+])CCCC2)cc1Cl ZINC000071512068 388096409 /nfs/dbraw/zinc/09/64/09/388096409.db2.gz QKRKSRWSDZUNKP-UHFFFAOYSA-N 1 0 209.720 3.376 10 0 BGAERO C[NH2+]CCc1ccc(-c2ccccc2)cc1 ZINC000071518289 173359991 /nfs/dbraw/zinc/35/99/91/173359991.db2.gz VLKFAIHXYCUNJA-UHFFFAOYSA-N 1 0 211.308 3.116 10 0 BGAERO Cc1[nH]c2ccccc2c1[C@@H]1CCCC[NH2+]1 ZINC000071519117 388097265 /nfs/dbraw/zinc/09/72/65/388097265.db2.gz PMZXCUXWUAGJNH-ZDUSSCGKSA-N 1 0 214.312 3.291 10 0 BGAERO Cc1[nH]c2ccccc2c1[C@H]1CCCC[NH2+]1 ZINC000071519118 388097284 /nfs/dbraw/zinc/09/72/84/388097284.db2.gz PMZXCUXWUAGJNH-CYBMUJFWSA-N 1 0 214.312 3.291 10 0 BGAERO Cc1cc(SC[C@@H](C)[NH3+])ccc1Cl ZINC000071519550 178218843 /nfs/dbraw/zinc/21/88/43/178218843.db2.gz JZGGBUXAMQBPPO-MRVPVSSYSA-N 1 0 215.749 3.088 10 0 BGAERO Cc1cc(SC[C@H](C)[NH3+])ccc1Cl ZINC000071519551 178217798 /nfs/dbraw/zinc/21/77/98/178217798.db2.gz JZGGBUXAMQBPPO-QMMMGPOBSA-N 1 0 215.749 3.088 10 0 BGAERO Clc1ccc(Cl)c([C@@H]2CC[NH2+]C2)c1 ZINC000071519555 388096904 /nfs/dbraw/zinc/09/69/04/388096904.db2.gz DATPDFCBMWYIRF-SSDOTTSWSA-N 1 0 216.111 3.070 10 0 BGAERO Clc1ccc(Cl)c([C@H]2CC[NH2+]C2)c1 ZINC000071519556 388097043 /nfs/dbraw/zinc/09/70/43/388097043.db2.gz DATPDFCBMWYIRF-ZETCQYMHSA-N 1 0 216.111 3.070 10 0 BGAERO Cc1cc(C)c([C@H]2CC[C@@H](C)[NH2+]C2)c(C)c1 ZINC000071520259 177876218 /nfs/dbraw/zinc/87/62/18/177876218.db2.gz QDWVSWOAVGGAQH-KGLIPLIRSA-N 1 0 217.356 3.467 10 0 BGAERO Cc1cc(C)c(CC2([C@H](C)[NH3+])CC2)c(C)c1 ZINC000071520261 177855871 /nfs/dbraw/zinc/85/58/71/177855871.db2.gz ARHJWNDGLNMYLM-ZDUSSCGKSA-N 1 0 217.356 3.282 10 0 BGAERO C[NH2+]C(C)(C)c1ccc(Cl)cc1Cl ZINC000071520402 173320533 /nfs/dbraw/zinc/32/05/33/173320533.db2.gz NTZPQXOFMURIAP-UHFFFAOYSA-N 1 0 218.127 3.448 10 0 BGAERO C[NH2+]C(C)(C)c1ccc(Cl)c(Cl)c1 ZINC000071520403 173320349 /nfs/dbraw/zinc/32/03/49/173320349.db2.gz ZIVSXTJWXYYZBC-UHFFFAOYSA-N 1 0 218.127 3.448 10 0 BGAERO [NH3+]CCCCc1cc(Cl)ccc1Cl ZINC000071520404 181378626 /nfs/dbraw/zinc/37/86/26/181378626.db2.gz SWFZZHKAUNRRLH-UHFFFAOYSA-N 1 0 218.127 3.275 10 0 BGAERO COc1cc(C)c(C2([NH3+])CCCC2)cc1C ZINC000071521806 174957195 /nfs/dbraw/zinc/95/71/95/174957195.db2.gz ARWSZQKWSGZCAI-UHFFFAOYSA-N 1 0 219.328 3.040 10 0 BGAERO COc1cc(C)c([C@@H]([NH3+])C2(C)CC2)cc1C ZINC000071521811 174961140 /nfs/dbraw/zinc/96/11/40/174961140.db2.gz QSSUEWMGWLTIMM-CYBMUJFWSA-N 1 0 219.328 3.112 10 0 BGAERO COc1cc(C)c([C@H]2CCCC[NH2+]2)cc1C ZINC000071521813 174963075 /nfs/dbraw/zinc/96/30/75/174963075.db2.gz VDLNNPWBMNQIMD-CYBMUJFWSA-N 1 0 219.328 3.127 10 0 BGAERO CCCOc1ccc([C@H]([NH3+])C2CCC2)cc1 ZINC000071521823 169322153 /nfs/dbraw/zinc/32/21/53/169322153.db2.gz HWZIDJNSGNAILZ-CQSZACIVSA-N 1 0 219.328 3.275 10 0 BGAERO CCCOc1ccc([C@@H]([NH3+])C2CCC2)cc1 ZINC000071521824 169321880 /nfs/dbraw/zinc/32/18/80/169321880.db2.gz HWZIDJNSGNAILZ-AWEZNQCLSA-N 1 0 219.328 3.275 10 0 BGAERO CCCOc1ccc([C@H]([NH3+])C2(C)CC2)cc1 ZINC000071521825 169322480 /nfs/dbraw/zinc/32/24/80/169322480.db2.gz MDPUUCBHHZBQQV-ZDUSSCGKSA-N 1 0 219.328 3.275 10 0 BGAERO CCCOc1ccc([C@@H]([NH3+])C2(C)CC2)cc1 ZINC000071521826 169321645 /nfs/dbraw/zinc/32/16/45/169321645.db2.gz MDPUUCBHHZBQQV-CYBMUJFWSA-N 1 0 219.328 3.275 10 0 BGAERO CC(C)(C)Oc1ccc([C@@H]2CCC[NH2+]2)cc1 ZINC000071521843 187260041 /nfs/dbraw/zinc/26/00/41/187260041.db2.gz QNENNGAITIROEX-ZDUSSCGKSA-N 1 0 219.328 3.288 10 0 BGAERO CC(C)(C)Oc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000071521844 384953328 /nfs/dbraw/zinc/95/33/28/384953328.db2.gz QNENNGAITIROEX-CYBMUJFWSA-N 1 0 219.328 3.288 10 0 BGAERO CCc1ccc(OC)c(/C=C/CCC[NH3+])c1 ZINC000071521859 171824240 /nfs/dbraw/zinc/82/42/40/171824240.db2.gz OCUXSYUQWAEUCK-FNORWQNLSA-N 1 0 219.328 3.010 10 0 BGAERO CCOc1ccc(/C=C/CCC[NH3+])cc1C ZINC000071521869 170534874 /nfs/dbraw/zinc/53/48/74/170534874.db2.gz QVMGQCKTOXVXRN-FNORWQNLSA-N 1 0 219.328 3.146 10 0 BGAERO CC(C)Oc1ccc(/C=C/CCC[NH3+])cc1 ZINC000071521887 167289425 /nfs/dbraw/zinc/28/94/25/167289425.db2.gz CQNRZZPWSBOKJA-GQCTYLIASA-N 1 0 219.328 3.226 10 0 BGAERO CC(C)Oc1ccc([C@H]([NH3+])C2(C)CC2)cc1 ZINC000071521888 167301123 /nfs/dbraw/zinc/30/11/23/167301123.db2.gz FPHYOEYPZBKFCW-ZDUSSCGKSA-N 1 0 219.328 3.274 10 0 BGAERO CC(C)Oc1ccc([C@@H]([NH3+])C2(C)CC2)cc1 ZINC000071521889 167299048 /nfs/dbraw/zinc/29/90/48/167299048.db2.gz FPHYOEYPZBKFCW-CYBMUJFWSA-N 1 0 219.328 3.274 10 0 BGAERO C[NH2+]CCCCc1c(C)c(C)cc(C)c1C ZINC000071522111 173345716 /nfs/dbraw/zinc/34/57/16/173345716.db2.gz PPCYUOSCIODYNH-UHFFFAOYSA-N 1 0 219.372 3.462 10 0 BGAERO COc1ccc([C@@H](CCC[NH3+])C(C)C)cc1 ZINC000071523524 175178365 /nfs/dbraw/zinc/17/83/65/175178365.db2.gz ICLPFBJKBXDJFJ-AWEZNQCLSA-N 1 0 221.344 3.174 10 0 BGAERO COc1ccc([C@@H](C)CCCC[NH3+])cc1C ZINC000071523526 175175921 /nfs/dbraw/zinc/17/59/21/175175921.db2.gz AXEFNLYZKLJGLR-NSHDSACASA-N 1 0 221.344 3.236 10 0 BGAERO COc1ccc([C@H](C)CCCC[NH3+])cc1C ZINC000071523527 175187610 /nfs/dbraw/zinc/18/76/10/175187610.db2.gz AXEFNLYZKLJGLR-LLVKDONJSA-N 1 0 221.344 3.236 10 0 BGAERO COc1ccc(C)cc1[C@@H](C)CCCC[NH3+] ZINC000071523528 175078882 /nfs/dbraw/zinc/07/88/82/175078882.db2.gz QRAFZZRQAGZNIM-LBPRGKRZSA-N 1 0 221.344 3.236 10 0 BGAERO COc1ccc(C)cc1[C@H](C)CCCC[NH3+] ZINC000071523530 175081212 /nfs/dbraw/zinc/08/12/12/175081212.db2.gz QRAFZZRQAGZNIM-GFCCVEGCSA-N 1 0 221.344 3.236 10 0 BGAERO COc1ccccc1[C@H](CCC[NH3+])C(C)C ZINC000071523531 175353821 /nfs/dbraw/zinc/35/38/21/175353821.db2.gz KRIVCWSDUVIVLY-GFCCVEGCSA-N 1 0 221.344 3.174 10 0 BGAERO COc1ccccc1[C@@H](CCC[NH3+])C(C)C ZINC000071523532 175345613 /nfs/dbraw/zinc/34/56/13/175345613.db2.gz KRIVCWSDUVIVLY-LBPRGKRZSA-N 1 0 221.344 3.174 10 0 BGAERO COc1cccc([C@H](CCC[NH3+])C(C)C)c1 ZINC000071523534 175294115 /nfs/dbraw/zinc/29/41/15/175294115.db2.gz ZJUFKYNSMJHOHR-CQSZACIVSA-N 1 0 221.344 3.174 10 0 BGAERO COc1cccc([C@@H](CCC[NH3+])C(C)C)c1 ZINC000071523535 175287553 /nfs/dbraw/zinc/28/75/53/175287553.db2.gz ZJUFKYNSMJHOHR-AWEZNQCLSA-N 1 0 221.344 3.174 10 0 BGAERO CC[C@H](C)c1ccc([C@H](C[NH2+]C)OC)cc1 ZINC000071523617 171411782 /nfs/dbraw/zinc/41/17/82/171411782.db2.gz RGBUAITXNLFVAZ-FZMZJTMJSA-N 1 0 221.344 3.107 10 0 BGAERO CC[C@H](C)c1ccc([C@@H](C)OCC[NH3+])cc1 ZINC000071523638 171411370 /nfs/dbraw/zinc/41/13/70/171411370.db2.gz RBBFFVCDSABFBX-NWDGAFQWSA-N 1 0 221.344 3.236 10 0 BGAERO CCCOc1ccc(CC(C)(C)C[NH3+])cc1 ZINC000071523730 169317683 /nfs/dbraw/zinc/31/76/83/169317683.db2.gz FDAYDBPZQWPMBL-UHFFFAOYSA-N 1 0 221.344 3.003 10 0 BGAERO CCCOc1ccc([C@@H](C[NH3+])C(C)C)cc1 ZINC000071523737 169321093 /nfs/dbraw/zinc/32/10/93/169321093.db2.gz YVUDYSCCVAOFPJ-AWEZNQCLSA-N 1 0 221.344 3.174 10 0 BGAERO CCCOc1ccc([C@H](C[NH3+])C(C)C)cc1 ZINC000071523738 169322252 /nfs/dbraw/zinc/32/22/52/169322252.db2.gz YVUDYSCCVAOFPJ-CQSZACIVSA-N 1 0 221.344 3.174 10 0 BGAERO CCCCOc1ccc(CC(C)(C)[NH3+])cc1 ZINC000071523753 343964304 /nfs/dbraw/zinc/96/43/04/343964304.db2.gz FAIIOPGOQIHOGV-UHFFFAOYSA-N 1 0 221.344 3.145 10 0 BGAERO C[NH2+]CCCc1ccc(OC(C)(C)C)cc1 ZINC000071523761 173350380 /nfs/dbraw/zinc/35/03/80/173350380.db2.gz PNQGSAABVYLOPH-UHFFFAOYSA-N 1 0 221.344 3.016 10 0 BGAERO CCOc1ccc([C@@H](C)CCC[NH3+])cc1C ZINC000071523801 170557907 /nfs/dbraw/zinc/55/79/07/170557907.db2.gz MZIYEKAVXBBZGR-NSHDSACASA-N 1 0 221.344 3.236 10 0 BGAERO CCOc1ccc([C@H](C)CCC[NH3+])cc1C ZINC000071523802 170562286 /nfs/dbraw/zinc/56/22/86/170562286.db2.gz MZIYEKAVXBBZGR-LLVKDONJSA-N 1 0 221.344 3.236 10 0 BGAERO CCC[NH2+]Cc1ccc(OC(C)C)c(C)c1 ZINC000071523815 169266441 /nfs/dbraw/zinc/26/64/41/169266441.db2.gz LECDYIMOGSSIHO-UHFFFAOYSA-N 1 0 221.344 3.282 10 0 BGAERO CC(C)Oc1ccc([C@@H](C)CCC[NH3+])cc1 ZINC000071523825 167299951 /nfs/dbraw/zinc/29/99/51/167299951.db2.gz GTDKVHMLHRVOOR-LBPRGKRZSA-N 1 0 221.344 3.316 10 0 BGAERO CC(C)Oc1ccc([C@H](C)CCC[NH3+])cc1 ZINC000071523826 167301391 /nfs/dbraw/zinc/30/13/91/167301391.db2.gz GTDKVHMLHRVOOR-GFCCVEGCSA-N 1 0 221.344 3.316 10 0 BGAERO CC(C)Oc1ccc(CCCCC[NH3+])cc1 ZINC000071523827 167291908 /nfs/dbraw/zinc/29/19/08/167291908.db2.gz VVZLZUWVAKJBBI-UHFFFAOYSA-N 1 0 221.344 3.145 10 0 BGAERO CCC[NH2+]Cc1ccc(C(C)C)cc1OC ZINC000071523869 169266930 /nfs/dbraw/zinc/26/69/30/169266930.db2.gz ZAHHPWGLYYFQIX-UHFFFAOYSA-N 1 0 221.344 3.318 10 0 BGAERO C[C@@H]([NH3+])CSc1ccc(C(C)(C)C)cc1 ZINC000071531424 175806284 /nfs/dbraw/zinc/80/62/84/175806284.db2.gz IBWOELHWJMTMRP-SNVBAGLBSA-N 1 0 223.385 3.423 10 0 BGAERO Clc1ccccc1CC[C@@H]1CCCC[NH2+]1 ZINC000071531475 180595017 /nfs/dbraw/zinc/59/50/17/180595017.db2.gz HMMVCGTXXGWYRB-LBPRGKRZSA-N 1 0 223.747 3.415 10 0 BGAERO [NH3+]CC1(Cc2ccc(F)c(F)c2)CCCC1 ZINC000071532218 181360676 /nfs/dbraw/zinc/36/06/76/181360676.db2.gz VJKXPUMPGDHNTR-UHFFFAOYSA-N 1 0 225.282 3.026 10 0 BGAERO c1ccc(Oc2ccc(C3C[NH2+]C3)cc2)cc1 ZINC000071532349 343692839 /nfs/dbraw/zinc/69/28/39/343692839.db2.gz HZCKZZDQBXLLBQ-UHFFFAOYSA-N 1 0 225.291 3.166 10 0 BGAERO COc1ccc([C@@H](C)CCCC[NH3+])cc1F ZINC000071532405 175175908 /nfs/dbraw/zinc/17/59/08/175175908.db2.gz MZBCUKNDMMQORJ-JTQLQIEISA-N 1 0 225.307 3.067 10 0 BGAERO COc1ccc([C@H](C)CCCC[NH3+])cc1F ZINC000071532406 175187414 /nfs/dbraw/zinc/18/74/14/175187414.db2.gz MZBCUKNDMMQORJ-SNVBAGLBSA-N 1 0 225.307 3.067 10 0 BGAERO COc1ccc(F)cc1[C@@H](C)CCCC[NH3+] ZINC000071532407 175132130 /nfs/dbraw/zinc/13/21/30/175132130.db2.gz VZYYAWDCSWJMBB-JTQLQIEISA-N 1 0 225.307 3.067 10 0 BGAERO COc1ccc(F)cc1[C@H](C)CCCC[NH3+] ZINC000071532408 175133509 /nfs/dbraw/zinc/13/35/09/175133509.db2.gz VZYYAWDCSWJMBB-SNVBAGLBSA-N 1 0 225.307 3.067 10 0 BGAERO COc1ccc(Cl)cc1[C@H]([NH3+])C1CCC1 ZINC000071532678 175123040 /nfs/dbraw/zinc/12/30/40/175123040.db2.gz CYVDMESAHJTNGF-GFCCVEGCSA-N 1 0 225.719 3.149 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]([NH3+])C1CCC1 ZINC000071532679 175122104 /nfs/dbraw/zinc/12/21/04/175122104.db2.gz CYVDMESAHJTNGF-LBPRGKRZSA-N 1 0 225.719 3.149 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]([NH3+])C1(C)CC1 ZINC000071532680 175122064 /nfs/dbraw/zinc/12/20/64/175122064.db2.gz UXYYZBGCLTXSSS-LLVKDONJSA-N 1 0 225.719 3.149 10 0 BGAERO COc1ccc(Cl)cc1[C@H]([NH3+])C1(C)CC1 ZINC000071532681 175123472 /nfs/dbraw/zinc/12/34/72/175123472.db2.gz UXYYZBGCLTXSSS-NSHDSACASA-N 1 0 225.719 3.149 10 0 BGAERO COc1ccc(CCCCC[NH3+])c(Cl)c1 ZINC000071533555 175089364 /nfs/dbraw/zinc/08/93/64/175089364.db2.gz RGWFUIQYENOPCJ-UHFFFAOYSA-N 1 0 227.735 3.020 10 0 BGAERO Cc1cc(S[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000071533571 178219414 /nfs/dbraw/zinc/21/94/14/178219414.db2.gz IMCXDGBXOAPAKK-SNVBAGLBSA-N 1 0 227.760 3.102 10 0 BGAERO Cc1cc(S[C@H]2CC[NH2+]C2)ccc1Cl ZINC000071533572 178219703 /nfs/dbraw/zinc/21/97/03/178219703.db2.gz IMCXDGBXOAPAKK-JTQLQIEISA-N 1 0 227.760 3.102 10 0 BGAERO [NH3+]CC1(Cc2ccc(Cl)cc2Cl)CC1 ZINC000071534513 181360703 /nfs/dbraw/zinc/36/07/03/181360703.db2.gz VDYPVIAIHHMYJZ-UHFFFAOYSA-N 1 0 230.138 3.275 10 0 BGAERO [NH3+]CC1(Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000071534514 181359862 /nfs/dbraw/zinc/35/98/62/181359862.db2.gz HHIHRQIOUIVJSL-UHFFFAOYSA-N 1 0 230.138 3.275 10 0 BGAERO [NH3+]CCCCCc1cccc(C(F)(F)F)c1 ZINC000071535201 181374690 /nfs/dbraw/zinc/37/46/90/181374690.db2.gz UPLJBHXAARWKDS-UHFFFAOYSA-N 1 0 231.261 3.377 10 0 BGAERO [NH3+]CCCCCc1ccc(C(F)(F)F)cc1 ZINC000071535202 181375522 /nfs/dbraw/zinc/37/55/22/181375522.db2.gz HRSUGRHTXHOVSR-UHFFFAOYSA-N 1 0 231.261 3.377 10 0 BGAERO C[NH2+]Cc1ncc(-c2ccc(C)c(C)c2)s1 ZINC000071536360 173398120 /nfs/dbraw/zinc/39/81/20/173398120.db2.gz RESWJODGINNFBQ-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO C[NH2+]Cc1ncc(-c2cc(C)ccc2C)s1 ZINC000071536362 173397434 /nfs/dbraw/zinc/39/74/34/173397434.db2.gz GWLWRUATAXGFEH-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO C[NH2+]Cc1ncc(-c2ccc(C)cc2C)s1 ZINC000071536364 173397504 /nfs/dbraw/zinc/39/75/04/173397504.db2.gz KJLUUSCDFKIYHH-UHFFFAOYSA-N 1 0 232.352 3.146 10 0 BGAERO CCN(c1cccc(C)c1)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000071536621 169942983 /nfs/dbraw/zinc/94/29/83/169942983.db2.gz FJXYJCJDGLBXCV-DZGCQCFKSA-N 1 0 232.371 3.091 10 0 BGAERO CC[NH2+][C@@H](C(=O)c1ccc(CC)cc1)C(C)C ZINC000071537198 170137706 /nfs/dbraw/zinc/13/77/06/170137706.db2.gz NZKRLWOVHNLPPR-CQSZACIVSA-N 1 0 233.355 3.066 10 0 BGAERO CC[NH2+][C@H](C(=O)c1ccc(CC)cc1)C(C)C ZINC000071537199 170156409 /nfs/dbraw/zinc/15/64/09/170156409.db2.gz NZKRLWOVHNLPPR-AWEZNQCLSA-N 1 0 233.355 3.066 10 0 BGAERO CC[NH2+][C@@H](CC)C(=O)c1ccc(C(C)C)cc1 ZINC000071537208 170143814 /nfs/dbraw/zinc/14/38/14/170143814.db2.gz HSTHNASYOHLKGY-AWEZNQCLSA-N 1 0 233.355 3.381 10 0 BGAERO CC[NH2+][C@H](CC)C(=O)c1ccc(C(C)C)cc1 ZINC000071537209 170161033 /nfs/dbraw/zinc/16/10/33/170161033.db2.gz HSTHNASYOHLKGY-CQSZACIVSA-N 1 0 233.355 3.381 10 0 BGAERO COc1ccc(/C(=C/CCC[NH3+])C(C)C)cc1 ZINC000071537261 175045888 /nfs/dbraw/zinc/04/58/88/175045888.db2.gz BVUDPEXPIFHTQF-GIDUJCDVSA-N 1 0 233.355 3.474 10 0 BGAERO COc1ccccc1/C(=C/CCC[NH3+])C(C)C ZINC000071537265 175314019 /nfs/dbraw/zinc/31/40/19/175314019.db2.gz PEZDXQANPKRGNB-MDWZMJQESA-N 1 0 233.355 3.474 10 0 BGAERO COc1cccc(/C(=C/CCC[NH3+])C(C)C)c1 ZINC000071537266 175239879 /nfs/dbraw/zinc/23/98/79/175239879.db2.gz PFNCBYKBDSICII-OQLLNIDSSA-N 1 0 233.355 3.474 10 0 BGAERO CC[NH2+][C@@H](C)C(=O)c1ccc(CC(C)C)cc1 ZINC000071537322 170137953 /nfs/dbraw/zinc/13/79/53/170137953.db2.gz RCGUBWVAWOWMKR-LBPRGKRZSA-N 1 0 233.355 3.066 10 0 BGAERO CC[NH2+][C@H](C)C(=O)c1ccc(CC(C)C)cc1 ZINC000071537323 170156752 /nfs/dbraw/zinc/15/67/52/170156752.db2.gz RCGUBWVAWOWMKR-GFCCVEGCSA-N 1 0 233.355 3.066 10 0 BGAERO CC[NH2+][C@H](C)C(=O)c1ccc([C@H](C)CC)cc1 ZINC000071537363 170156875 /nfs/dbraw/zinc/15/68/75/170156875.db2.gz DALLMDXOMSJCJP-VXGBXAGGSA-N 1 0 233.355 3.381 10 0 BGAERO CC[NH2+][C@H](C)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC000071537364 170157148 /nfs/dbraw/zinc/15/71/48/170157148.db2.gz DALLMDXOMSJCJP-NWDGAFQWSA-N 1 0 233.355 3.381 10 0 BGAERO CC[NH2+][C@@H](C)C(=O)c1ccc([C@H](C)CC)cc1 ZINC000071537365 170137662 /nfs/dbraw/zinc/13/76/62/170137662.db2.gz DALLMDXOMSJCJP-NEPJUHHUSA-N 1 0 233.355 3.381 10 0 BGAERO CC[NH2+][C@@H](C)C(=O)c1ccc([C@@H](C)CC)cc1 ZINC000071537366 170138468 /nfs/dbraw/zinc/13/84/68/170138468.db2.gz DALLMDXOMSJCJP-RYUDHWBXSA-N 1 0 233.355 3.381 10 0 BGAERO CCOc1cc(C)c(/C=C/CCC[NH3+])cc1C ZINC000071537461 170518053 /nfs/dbraw/zinc/51/80/53/170518053.db2.gz IAPLFAFVOKXBBH-SOFGYWHQSA-N 1 0 233.355 3.454 10 0 BGAERO CC(C)COc1ccc([C@H](C[NH3+])C2CC2)cc1 ZINC000071537520 188306183 /nfs/dbraw/zinc/30/61/83/188306183.db2.gz TXJHPGGPBJLPDT-OAHLLOKOSA-N 1 0 233.355 3.174 10 0 BGAERO C[NH2+]CCCc1ccc(OC2CCCC2)cc1 ZINC000071537533 173350409 /nfs/dbraw/zinc/35/04/09/173350409.db2.gz RQMADFVGHCUKST-UHFFFAOYSA-N 1 0 233.355 3.160 10 0 BGAERO [NH3+]CCCCc1ccc(OC2CCCC2)cc1 ZINC000071537537 181378829 /nfs/dbraw/zinc/37/88/29/181378829.db2.gz BNLLKBFLIJRBJV-UHFFFAOYSA-N 1 0 233.355 3.289 10 0 BGAERO CCc1cc([C@H](CC[NH3+])C2CC2)ccc1OC ZINC000071537567 171774959 /nfs/dbraw/zinc/77/49/59/171774959.db2.gz GSQBOKABCVYSFO-CQSZACIVSA-N 1 0 233.355 3.100 10 0 BGAERO CCOc1ccc([C@H](CC[NH3+])C2CC2)cc1C ZINC000071537587 170563076 /nfs/dbraw/zinc/56/30/76/170563076.db2.gz HTXKAXGKSQZWKR-CQSZACIVSA-N 1 0 233.355 3.236 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000071537707 167299216 /nfs/dbraw/zinc/29/92/16/167299216.db2.gz SKKOWCFYDKDBKQ-KGLIPLIRSA-N 1 0 233.355 3.459 10 0 BGAERO CC(C)Oc1ccc([C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000071537708 167301545 /nfs/dbraw/zinc/30/15/45/167301545.db2.gz SKKOWCFYDKDBKQ-KBPBESRZSA-N 1 0 233.355 3.459 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000071537709 167300004 /nfs/dbraw/zinc/30/00/04/167300004.db2.gz SKKOWCFYDKDBKQ-ZIAGYGMSSA-N 1 0 233.355 3.459 10 0 BGAERO CC(C)Oc1ccc([C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000071537710 167300981 /nfs/dbraw/zinc/30/09/81/167300981.db2.gz SKKOWCFYDKDBKQ-UONOGXRCSA-N 1 0 233.355 3.459 10 0 BGAERO COc1c(Cl)cc(Cl)cc1C(C)(C)[NH3+] ZINC000071543405 174930517 /nfs/dbraw/zinc/93/05/17/174930517.db2.gz RKFXEOVYSKHTPS-UHFFFAOYSA-N 1 0 234.126 3.196 10 0 BGAERO COc1ccc([C@@H](CCC[NH3+])C(C)C)cc1C ZINC000071546505 175178198 /nfs/dbraw/zinc/17/81/98/175178198.db2.gz HGBSHDSTMVSJKY-AWEZNQCLSA-N 1 0 235.371 3.482 10 0 BGAERO COc1ccc(C)cc1[C@@H](CCC[NH3+])C(C)C ZINC000071546507 175079332 /nfs/dbraw/zinc/07/93/32/175079332.db2.gz VEPGSTQWFHZBEJ-ZDUSSCGKSA-N 1 0 235.371 3.482 10 0 BGAERO COc1ccc(C)cc1[C@H](CCC[NH3+])C(C)C ZINC000071546508 175081778 /nfs/dbraw/zinc/08/17/78/175081778.db2.gz VEPGSTQWFHZBEJ-CYBMUJFWSA-N 1 0 235.371 3.482 10 0 BGAERO CCCCc1ccc([C@H](O)[C@H]([NH3+])C(C)C)cc1 ZINC000071546519 169024241 /nfs/dbraw/zinc/02/42/41/169024241.db2.gz BXGNSARFTVCRJE-CABCVRRESA-N 1 0 235.371 3.046 10 0 BGAERO CCCCc1ccc([C@@H](O)[C@H]([NH3+])C(C)C)cc1 ZINC000071546520 169022947 /nfs/dbraw/zinc/02/29/47/169022947.db2.gz BXGNSARFTVCRJE-HUUCEWRRSA-N 1 0 235.371 3.046 10 0 BGAERO CCCCc1ccc([C@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000071546521 169024700 /nfs/dbraw/zinc/02/47/00/169024700.db2.gz BXGNSARFTVCRJE-GJZGRUSLSA-N 1 0 235.371 3.046 10 0 BGAERO CCCCc1ccc([C@@H](O)[C@@H]([NH3+])C(C)C)cc1 ZINC000071546522 169023084 /nfs/dbraw/zinc/02/30/84/169023084.db2.gz BXGNSARFTVCRJE-LSDHHAIUSA-N 1 0 235.371 3.046 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc([C@H](C)CC)cc1 ZINC000071546541 170158695 /nfs/dbraw/zinc/15/86/95/170158695.db2.gz XJXXMGDDABNIST-LALPHHSUSA-N 1 0 235.371 3.232 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](O)c1ccc([C@@H](C)CC)cc1 ZINC000071546542 170158474 /nfs/dbraw/zinc/15/84/74/170158474.db2.gz XJXXMGDDABNIST-YWPYICTPSA-N 1 0 235.371 3.232 10 0 BGAERO CC[NH2+][C@H](C)[C@H](O)c1ccc([C@H](C)CC)cc1 ZINC000071546543 170158365 /nfs/dbraw/zinc/15/83/65/170158365.db2.gz XJXXMGDDABNIST-JMSVASOKSA-N 1 0 235.371 3.232 10 0 BGAERO CC[NH2+][C@H](C)[C@H](O)c1ccc([C@@H](C)CC)cc1 ZINC000071546544 170158743 /nfs/dbraw/zinc/15/87/43/170158743.db2.gz XJXXMGDDABNIST-ZOWXZIJZSA-N 1 0 235.371 3.232 10 0 BGAERO CC[C@@H](C)c1ccc([C@@H](CO)[NH2+]C(C)C)cc1 ZINC000071546545 170805397 /nfs/dbraw/zinc/80/53/97/170805397.db2.gz LXADGXWLZAGIQU-IUODEOHRSA-N 1 0 235.371 3.232 10 0 BGAERO C[NH2+]CCCc1ccc(OC)c(C(C)(C)C)c1 ZINC000071546553 173350261 /nfs/dbraw/zinc/35/02/61/173350261.db2.gz KFTFPNCUMQSSMT-UHFFFAOYSA-N 1 0 235.371 3.145 10 0 BGAERO C[NH2+]CCCc1cc(C(C)(C)C)ccc1OC ZINC000071546555 173350327 /nfs/dbraw/zinc/35/03/27/173350327.db2.gz ASEKVSQUIVFBJG-UHFFFAOYSA-N 1 0 235.371 3.145 10 0 BGAERO CC(C)COc1ccc([C@@H](C[NH3+])C(C)C)cc1 ZINC000071546628 187275999 /nfs/dbraw/zinc/27/59/99/187275999.db2.gz ICXSEPFEYNNUGW-HNNXBMFYSA-N 1 0 235.371 3.420 10 0 BGAERO C[NH2+]CCCc1cc(C(C)C)c(OC)cc1C ZINC000071546650 173350738 /nfs/dbraw/zinc/35/07/38/173350738.db2.gz HBKWDANVZNSUGS-UHFFFAOYSA-N 1 0 235.371 3.279 10 0 BGAERO COc1c(C)cc(CCCCC[NH3+])c(C)c1C ZINC000071546702 174923077 /nfs/dbraw/zinc/92/30/77/174923077.db2.gz PWCONBQNYWXEFX-UHFFFAOYSA-N 1 0 235.371 3.292 10 0 BGAERO C[NH2+]CCCCc1cc(C)c(OC)c(C)c1C ZINC000071546703 173345977 /nfs/dbraw/zinc/34/59/77/173345977.db2.gz NSNZSRJDROHJHF-UHFFFAOYSA-N 1 0 235.371 3.163 10 0 BGAERO [NH3+]C1(c2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000071546815 181334058 /nfs/dbraw/zinc/33/40/58/181334058.db2.gz QXEPVKCIFNZGCU-UHFFFAOYSA-N 1 0 235.636 3.307 10 0 BGAERO C[C@@H]([NH3+])CSc1ccc(Cl)c(Cl)c1 ZINC000071546916 388098418 /nfs/dbraw/zinc/09/84/18/388098418.db2.gz MUOQTSUJNMTVRU-ZCFIWIBFSA-N 1 0 236.167 3.433 10 0 BGAERO CCOc1ccc([C@@H](CC[NH3+])C2CC2)cc1F ZINC000071547995 170558054 /nfs/dbraw/zinc/55/80/54/170558054.db2.gz NCKBKSJTUNDLEO-LBPRGKRZSA-N 1 0 237.318 3.067 10 0 BGAERO CCOc1ccc([C@H](CC[NH3+])C2CC2)cc1F ZINC000071547996 170563402 /nfs/dbraw/zinc/56/34/02/170563402.db2.gz NCKBKSJTUNDLEO-GFCCVEGCSA-N 1 0 237.318 3.067 10 0 BGAERO CC(C)Oc1ccc(/C=C/CCC[NH3+])cc1F ZINC000071547998 167291193 /nfs/dbraw/zinc/29/11/93/167291193.db2.gz YNUKSVZWNCESJU-GQCTYLIASA-N 1 0 237.318 3.365 10 0 BGAERO [NH3+]C1(C(=O)c2ccccc2Cl)CCCCC1 ZINC000071548580 181331381 /nfs/dbraw/zinc/33/13/81/181331381.db2.gz REPDMPAXQLXJGB-UHFFFAOYSA-N 1 0 237.730 3.184 10 0 BGAERO [NH3+]C1(C(=O)c2cccc(Cl)c2)CCCCC1 ZINC000071548581 181331163 /nfs/dbraw/zinc/33/11/63/181331163.db2.gz XDAAGIBEFBPXST-UHFFFAOYSA-N 1 0 237.730 3.184 10 0 BGAERO C[NH2+]CCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000071549536 173342216 /nfs/dbraw/zinc/34/22/16/173342216.db2.gz APYCZCZOFVHRQM-UHFFFAOYSA-N 1 0 239.318 3.146 10 0 BGAERO COc1ccc([C@@H](CCC[NH3+])C(C)C)cc1F ZINC000071549590 175178601 /nfs/dbraw/zinc/17/86/01/175178601.db2.gz MKLKAJQAQROCQA-LBPRGKRZSA-N 1 0 239.334 3.313 10 0 BGAERO COc1ccc(F)cc1[C@H](CCC[NH3+])C(C)C ZINC000071549591 175134587 /nfs/dbraw/zinc/13/45/87/175134587.db2.gz GIBIPEBBOIFZBD-GFCCVEGCSA-N 1 0 239.334 3.313 10 0 BGAERO COc1ccc(F)cc1[C@@H](CCC[NH3+])C(C)C ZINC000071549592 175132782 /nfs/dbraw/zinc/13/27/82/175132782.db2.gz GIBIPEBBOIFZBD-LBPRGKRZSA-N 1 0 239.334 3.313 10 0 BGAERO CCOc1ccc([C@@H](CC[NH3+])C(C)C)cc1F ZINC000071549597 170557465 /nfs/dbraw/zinc/55/74/65/170557465.db2.gz LYEALMMXFYSKSW-LBPRGKRZSA-N 1 0 239.334 3.313 10 0 BGAERO CC(C)Oc1ccc([C@@H](C)CCC[NH3+])cc1F ZINC000071549603 167298402 /nfs/dbraw/zinc/29/84/02/167298402.db2.gz UNAFDBHNIUOCHB-NSHDSACASA-N 1 0 239.334 3.455 10 0 BGAERO CC(C)Oc1ccc([C@H](C)CCC[NH3+])cc1F ZINC000071549604 167300579 /nfs/dbraw/zinc/30/05/79/167300579.db2.gz UNAFDBHNIUOCHB-LLVKDONJSA-N 1 0 239.334 3.455 10 0 BGAERO COc1ccc(Cl)cc1CC1([C@H](C)[NH3+])CC1 ZINC000071549804 175120691 /nfs/dbraw/zinc/12/06/91/175120691.db2.gz YEBUDPRTLXTQGF-VIFPVBQESA-N 1 0 239.746 3.019 10 0 BGAERO COc1ccc(Cl)cc1CC1([C@@H](C)[NH3+])CC1 ZINC000071549805 175120472 /nfs/dbraw/zinc/12/04/72/175120472.db2.gz YEBUDPRTLXTQGF-SECBINFHSA-N 1 0 239.746 3.019 10 0 BGAERO CC1([C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000071549984 187275769 /nfs/dbraw/zinc/27/57/69/187275769.db2.gz NKXKTDLBOAPBBD-SNVBAGLBSA-N 1 0 240.144 3.249 10 0 BGAERO CC1([C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000071549985 362009888 /nfs/dbraw/zinc/00/98/88/362009888.db2.gz NKXKTDLBOAPBBD-JTQLQIEISA-N 1 0 240.144 3.249 10 0 BGAERO C[NH2+]CCCCc1cc(Cl)c(C)cc1OC ZINC000071551131 173346262 /nfs/dbraw/zinc/34/62/62/173346262.db2.gz PUPKDOPIKRBOBF-UHFFFAOYSA-N 1 0 241.762 3.199 10 0 BGAERO C[NH2+]CCCCc1cc(Cl)c(OC)cc1C ZINC000071551141 173346203 /nfs/dbraw/zinc/34/62/03/173346203.db2.gz JYEGGPWDQHBFSR-UHFFFAOYSA-N 1 0 241.762 3.199 10 0 BGAERO CCOc1cc(C)c(CCCC[NH3+])cc1Cl ZINC000071551150 170518351 /nfs/dbraw/zinc/51/83/51/170518351.db2.gz GVMZSICXSIPYPA-UHFFFAOYSA-N 1 0 241.762 3.329 10 0 BGAERO C[NH2+]CCCc1ccc(OC(C)C)c(Cl)c1 ZINC000071551163 173350451 /nfs/dbraw/zinc/35/04/51/173350451.db2.gz XKGAZOWOQDHURV-UHFFFAOYSA-N 1 0 241.762 3.279 10 0 BGAERO CC(C)Oc1ccc(CCCC[NH3+])cc1Cl ZINC000071551167 167292452 /nfs/dbraw/zinc/29/24/52/167292452.db2.gz HHIHQCFVZHCLAQ-UHFFFAOYSA-N 1 0 241.762 3.409 10 0 BGAERO C[NH2+]CCCCc1cc(Cl)cc(C)c1OC ZINC000071551177 173345642 /nfs/dbraw/zinc/34/56/42/173345642.db2.gz XGARBWOKFSWPCB-UHFFFAOYSA-N 1 0 241.762 3.199 10 0 BGAERO CC(C)([NH3+])CCc1ccccc1Br ZINC000071551277 188306316 /nfs/dbraw/zinc/30/63/16/188306316.db2.gz RQAQQCUJYRUJFQ-UHFFFAOYSA-N 1 0 242.160 3.119 10 0 BGAERO C[NH2+]Cc1ncc(-c2c[nH]c3ccccc32)s1 ZINC000071557745 173398070 /nfs/dbraw/zinc/39/80/70/173398070.db2.gz ZKLZVDYKYRZNCE-UHFFFAOYSA-N 1 0 243.335 3.011 10 0 BGAERO CCCCc1ccc(-c2c[nH]c(C[NH2+]C)n2)cc1 ZINC000071557853 169019262 /nfs/dbraw/zinc/01/92/62/169019262.db2.gz DULSRMVAKXOISL-UHFFFAOYSA-N 1 0 243.354 3.139 10 0 BGAERO Cc1ccc(-n2ncc(C[NH3+])c2C(C)C)c(C)c1 ZINC000071557996 178349898 /nfs/dbraw/zinc/34/98/98/178349898.db2.gz MACSROXCRNIAGR-UHFFFAOYSA-N 1 0 243.354 3.071 10 0 BGAERO CCCCc1ccc(-c2oncc2CC[NH3+])cc1 ZINC000071559161 169019129 /nfs/dbraw/zinc/01/91/29/169019129.db2.gz BQDVGPJOIVWART-UHFFFAOYSA-N 1 0 244.338 3.185 10 0 BGAERO CCCCc1ccc(-c2coc(CC[NH3+])n2)cc1 ZINC000071559162 169019565 /nfs/dbraw/zinc/01/95/65/169019565.db2.gz DKCJTQMPPYZIFB-UHFFFAOYSA-N 1 0 244.338 3.185 10 0 BGAERO C[NH2+]Cc1ncc(-c2ccc3c(c2)CCC3)s1 ZINC000071559339 173397532 /nfs/dbraw/zinc/39/75/32/173397532.db2.gz BPBNPXBBMJCQBT-UHFFFAOYSA-N 1 0 244.363 3.018 10 0 BGAERO C[NH2+]Cc1ncc(-c2ccc(Cl)s2)s1 ZINC000071559490 173397948 /nfs/dbraw/zinc/39/79/48/173397948.db2.gz GDRTVVCLIUDKRG-UHFFFAOYSA-N 1 0 244.772 3.244 10 0 BGAERO [NH3+]C1(c2ccc(Br)s2)CCCC1 ZINC000071560361 181334180 /nfs/dbraw/zinc/33/41/80/181334180.db2.gz QFEGACVIIOOEBZ-UHFFFAOYSA-N 1 0 246.173 3.239 10 0 BGAERO CC1([C@H]([NH3+])c2ccc(Br)s2)CC1 ZINC000071560363 362008815 /nfs/dbraw/zinc/00/88/15/362008815.db2.gz RDZUJHNVBHDFMI-MRVPVSSYSA-N 1 0 246.173 3.311 10 0 BGAERO CC1([C@@H]([NH3+])c2ccc(Br)s2)CC1 ZINC000071560364 362008941 /nfs/dbraw/zinc/00/89/41/362008941.db2.gz RDZUJHNVBHDFMI-QMMMGPOBSA-N 1 0 246.173 3.311 10 0 BGAERO [NH3+]C1(c2cc(Br)cs2)CCCC1 ZINC000071560365 181333911 /nfs/dbraw/zinc/33/39/11/181333911.db2.gz SFNWQOCYDKKGAX-UHFFFAOYSA-N 1 0 246.173 3.239 10 0 BGAERO [NH3+][C@@H](c1cc(Br)cs1)C1CCC1 ZINC000071560367 388099410 /nfs/dbraw/zinc/09/94/10/388099410.db2.gz PPAXLOQIXNHJRB-SECBINFHSA-N 1 0 246.173 3.311 10 0 BGAERO [NH3+][C@H](c1cc(Br)cs1)C1CCC1 ZINC000071560368 388099207 /nfs/dbraw/zinc/09/92/07/388099207.db2.gz PPAXLOQIXNHJRB-VIFPVBQESA-N 1 0 246.173 3.311 10 0 BGAERO CC1([C@H]([NH3+])c2cc(Br)cs2)CC1 ZINC000071560369 187275724 /nfs/dbraw/zinc/27/57/24/187275724.db2.gz WUPCUBWUHPKPJO-MRVPVSSYSA-N 1 0 246.173 3.311 10 0 BGAERO CC1([C@@H]([NH3+])c2cc(Br)cs2)CC1 ZINC000071560370 168071918 /nfs/dbraw/zinc/07/19/18/168071918.db2.gz WUPCUBWUHPKPJO-QMMMGPOBSA-N 1 0 246.173 3.311 10 0 BGAERO C[NH2+]Cc1ncc(-c2c(C)cc(C)cc2C)s1 ZINC000071561137 173397975 /nfs/dbraw/zinc/39/79/75/173397975.db2.gz OTHBKKZFQMFUDG-UHFFFAOYSA-N 1 0 246.379 3.455 10 0 BGAERO C[NH2+]Cc1ncc(-c2cc(C)c(C)cc2C)s1 ZINC000071561146 173397931 /nfs/dbraw/zinc/39/79/31/173397931.db2.gz KEMMCKODKNTFKI-UHFFFAOYSA-N 1 0 246.379 3.455 10 0 BGAERO C[C@@H]1CN(c2ccc(C(C)(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000071561187 132394368 /nfs/dbraw/zinc/39/43/68/132394368.db2.gz YMPAPWHOURBRTD-CHWSQXEVSA-N 1 0 246.398 3.171 10 0 BGAERO C[C@@H]1CN(c2ccc(C(C)(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000071561188 132394481 /nfs/dbraw/zinc/39/44/81/132394481.db2.gz YMPAPWHOURBRTD-OLZOCXBDSA-N 1 0 246.398 3.171 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccc(C(C)(C)C)cc1 ZINC000071561189 132394670 /nfs/dbraw/zinc/39/46/70/132394670.db2.gz YMPAPWHOURBRTD-QWHCGFSZSA-N 1 0 246.398 3.171 10 0 BGAERO C[C@H]1CN(c2ccc(C(C)(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000071561190 132394559 /nfs/dbraw/zinc/39/45/59/132394559.db2.gz YMPAPWHOURBRTD-STQMWFEESA-N 1 0 246.398 3.171 10 0 BGAERO CCCCc1ccc([C@H](N)C[NH+]2CCCC2)cc1 ZINC000071561291 169023148 /nfs/dbraw/zinc/02/31/48/169023148.db2.gz JNKUTYKTZURQKK-MRXNPFEDSA-N 1 0 246.398 3.125 10 0 BGAERO CCCCc1ccc([C@@H](N)C[NH+]2CCCC2)cc1 ZINC000071561292 169021583 /nfs/dbraw/zinc/02/15/83/169021583.db2.gz JNKUTYKTZURQKK-INIZCTEOSA-N 1 0 246.398 3.125 10 0 BGAERO CCCCc1ccc([C@@H](C[NH3+])N2CCCC2)cc1 ZINC000071561295 169021910 /nfs/dbraw/zinc/02/19/10/169021910.db2.gz DEIOVFFDIHJPQX-MRXNPFEDSA-N 1 0 246.398 3.125 10 0 BGAERO CCCCc1ccc([C@H](C[NH3+])N2CCCC2)cc1 ZINC000071561296 169023742 /nfs/dbraw/zinc/02/37/42/169023742.db2.gz DEIOVFFDIHJPQX-INIZCTEOSA-N 1 0 246.398 3.125 10 0 BGAERO Cc1cc(C)c([C@H](CN)[NH+]2CCCCC2)cc1C ZINC000071561370 177875121 /nfs/dbraw/zinc/87/51/21/177875121.db2.gz WYAJSERBCVJFLJ-INIZCTEOSA-N 1 0 246.398 3.098 10 0 BGAERO CCc1ccc(OC)c(C(C)(C)C[NH2+]C2CC2)c1 ZINC000071562043 171824956 /nfs/dbraw/zinc/82/49/56/171824956.db2.gz BSOHFNALCWITMQ-UHFFFAOYSA-N 1 0 247.382 3.287 10 0 BGAERO CC(C)(C)c1ccc([C@H](OCC[NH3+])C2CC2)cc1 ZINC000071562093 188306392 /nfs/dbraw/zinc/30/63/92/188306392.db2.gz VSPWSDIOZXJRPR-OAHLLOKOSA-N 1 0 247.382 3.411 10 0 BGAERO CC(C)Cc1ccc([C@H](O)[C@@H](C)[NH2+]C2CC2)cc1 ZINC000071562129 187787319 /nfs/dbraw/zinc/78/73/19/187787319.db2.gz FKFLNBYHXUGWBO-MLGOLLRUSA-N 1 0 247.382 3.059 10 0 BGAERO CC(C)Cc1ccc([C@H](O)[C@H](C)[NH2+]C2CC2)cc1 ZINC000071562131 188306286 /nfs/dbraw/zinc/30/62/86/188306286.db2.gz FKFLNBYHXUGWBO-BLLLJJGKSA-N 1 0 247.382 3.059 10 0 BGAERO CC[C@H](C)c1ccc([C@@H](O)[C@@H](C)[NH2+]C2CC2)cc1 ZINC000071562168 171411666 /nfs/dbraw/zinc/41/16/66/171411666.db2.gz OYNPFLLWJRZKQQ-OZVIIMIRSA-N 1 0 247.382 3.374 10 0 BGAERO CCCCOc1ccc(CC2CC[NH2+]CC2)cc1 ZINC000071562314 168918067 /nfs/dbraw/zinc/91/80/67/168918067.db2.gz NHFYZZPBRVKRNC-UHFFFAOYSA-N 1 0 247.382 3.408 10 0 BGAERO CCCCOc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000071562315 168917978 /nfs/dbraw/zinc/91/79/78/168917978.db2.gz ULMKOSDZWGFURX-HNNXBMFYSA-N 1 0 247.382 3.408 10 0 BGAERO CC(C)(C)Oc1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000071562337 384171949 /nfs/dbraw/zinc/17/19/49/384171949.db2.gz AGGPWEBHKVKTLP-AWEZNQCLSA-N 1 0 247.382 3.406 10 0 BGAERO CC(C)(C)Oc1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000071562338 166686545 /nfs/dbraw/zinc/68/65/45/166686545.db2.gz AGGPWEBHKVKTLP-CQSZACIVSA-N 1 0 247.382 3.406 10 0 BGAERO C[NH2+]C(C)(C)Cc1ccc(Br)s1 ZINC000071562695 173320305 /nfs/dbraw/zinc/32/03/05/173320305.db2.gz BRJYLHPHYRYWSU-UHFFFAOYSA-N 1 0 248.189 3.051 10 0 BGAERO CC(C)[C@](C)([NH3+])c1cc(Br)cs1 ZINC000071562698 167523861 /nfs/dbraw/zinc/52/38/61/167523861.db2.gz WDNUHLMBLYZVDP-VIFPVBQESA-N 1 0 248.189 3.341 10 0 BGAERO C[NH2+]C(C)(C)Cc1cc(Br)cs1 ZINC000071562700 173320381 /nfs/dbraw/zinc/32/03/81/173320381.db2.gz QQULNNMQQNUQLV-UHFFFAOYSA-N 1 0 248.189 3.051 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1cc(Br)cs1 ZINC000071562704 167397736 /nfs/dbraw/zinc/39/77/36/167397736.db2.gz QMCHZUUQXSDPAY-MRVPVSSYSA-N 1 0 248.189 3.209 10 0 BGAERO COc1ccc(/C(=C/CC[NH3+])C(C)C)cc1OC ZINC000071569510 175045525 /nfs/dbraw/zinc/04/55/25/175045525.db2.gz GDVINFSHJMRGJK-AWNIVKPZSA-N 1 0 249.354 3.092 10 0 BGAERO COc1ccc(OC)c(/C(=C/CC[NH3+])C(C)C)c1 ZINC000071569518 175163800 /nfs/dbraw/zinc/16/38/00/175163800.db2.gz PVOKFBNGPKMPFH-AWNIVKPZSA-N 1 0 249.354 3.092 10 0 BGAERO CC(C)[C@@H](CCCC[NH3+])c1ccc2c(c1)OCO2 ZINC000071569533 167390376 /nfs/dbraw/zinc/39/03/76/167390376.db2.gz LPJQMIGZSCRNOS-CYBMUJFWSA-N 1 0 249.354 3.284 10 0 BGAERO COc1ccc(/C(=C/CC[NH3+])C(C)C)c(OC)c1 ZINC000071569668 175045582 /nfs/dbraw/zinc/04/55/82/175045582.db2.gz KQMJQZPJVMZMSU-AWNIVKPZSA-N 1 0 249.354 3.092 10 0 BGAERO C[C@H](OCC[NH3+])c1ccc(OC2CCCC2)cc1 ZINC000071569982 177021325 /nfs/dbraw/zinc/02/13/25/177021325.db2.gz MFSCVDPVXMCGJZ-LBPRGKRZSA-N 1 0 249.354 3.044 10 0 BGAERO C[C@@H](OCC[NH3+])c1ccc(OC2CCCC2)cc1 ZINC000071569987 176002263 /nfs/dbraw/zinc/00/22/63/176002263.db2.gz MFSCVDPVXMCGJZ-GFCCVEGCSA-N 1 0 249.354 3.044 10 0 BGAERO CC[NH2+][C@@H](C)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000071569995 170137750 /nfs/dbraw/zinc/13/77/50/170137750.db2.gz DABASZOSFZMINT-NSHDSACASA-N 1 0 249.354 3.045 10 0 BGAERO CC[NH2+][C@H](C)C(=O)c1ccc(OC(C)(C)C)cc1 ZINC000071569997 170156931 /nfs/dbraw/zinc/15/69/31/170156931.db2.gz DABASZOSFZMINT-LLVKDONJSA-N 1 0 249.354 3.045 10 0 BGAERO COc1ccc(/C(C)=C/CCC[NH3+])c(OC)c1C ZINC000071570565 175045630 /nfs/dbraw/zinc/04/56/30/175045630.db2.gz ODFYKRNUQISCHW-YRNVUSSQSA-N 1 0 249.354 3.154 10 0 BGAERO C[NH2+][C@H](C(C)C)[C@@H](O)c1ccc(CC(C)C)cc1 ZINC000071571113 173443213 /nfs/dbraw/zinc/44/32/13/173443213.db2.gz PKZBJGCWRRSSIN-CVEARBPZSA-N 1 0 249.398 3.163 10 0 BGAERO CC[C@H](C)c1ccc([C@@H](O)[C@H]([NH2+]C)C(C)C)cc1 ZINC000071571136 171411136 /nfs/dbraw/zinc/41/11/36/171411136.db2.gz KEHZYBVSXFYPOJ-APHBMKBZSA-N 1 0 249.398 3.478 10 0 BGAERO C[NH2+]CCCc1cc(C(C)(C)C)c(OC)cc1C ZINC000071571289 173350532 /nfs/dbraw/zinc/35/05/32/173350532.db2.gz IWCVQGLAKXQKJN-UHFFFAOYSA-N 1 0 249.398 3.453 10 0 BGAERO C[NH2+]CCCc1cc(C)cc(C(C)(C)C)c1OC ZINC000071571356 173350470 /nfs/dbraw/zinc/35/04/70/173350470.db2.gz PGJOZMSHLDTIEQ-UHFFFAOYSA-N 1 0 249.398 3.453 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1c1c[nH]c2ccccc12 ZINC000071606938 173007728 /nfs/dbraw/zinc/00/77/28/173007728.db2.gz PMHSDJMJLWDONS-CQSZACIVSA-N 1 0 214.312 3.325 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1c[nH]c2ccccc12 ZINC000071606940 173010317 /nfs/dbraw/zinc/01/03/17/173010317.db2.gz PMHSDJMJLWDONS-AWEZNQCLSA-N 1 0 214.312 3.325 10 0 BGAERO Cc1cc(C2=CC(C)(C)[C@H]([NH3+])C(C)=C2)ccc1N ZINC000071618386 200660860 /nfs/dbraw/zinc/66/08/60/200660860.db2.gz UCDLBNQQNRQANR-OAHLLOKOSA-N 1 0 242.366 3.274 10 0 BGAERO Cc1cc(C2=CC(C)(C)[C@@H]([NH3+])C(C)=C2)ccc1N ZINC000071618387 384173676 /nfs/dbraw/zinc/17/36/76/384173676.db2.gz UCDLBNQQNRQANR-HNNXBMFYSA-N 1 0 242.366 3.274 10 0 BGAERO CC[C@H](C)[NH2+][C@@H](C)[C@H](O)c1ccc(Cl)cc1 ZINC000071690013 171346347 /nfs/dbraw/zinc/34/63/47/171346347.db2.gz HTPFGPKDYCZFJC-KWBADKCTSA-N 1 0 241.762 3.150 10 0 BGAERO CC[C@H](C)[NH2+][C@H](C)[C@H](O)c1ccc(Cl)cc1 ZINC000071690015 171347952 /nfs/dbraw/zinc/34/79/52/171347952.db2.gz HTPFGPKDYCZFJC-CWSCBRNRSA-N 1 0 241.762 3.150 10 0 BGAERO CCCC[C@H]([NH3+])c1nc2cc(CC)ccc2[nH]1 ZINC000071743219 169008459 /nfs/dbraw/zinc/00/84/59/169008459.db2.gz MSXLJKBEHDZAKL-NSHDSACASA-N 1 0 231.343 3.315 10 0 BGAERO C[NH2+]C1CCC(c2nc3cc(C)ccc3o2)CC1 ZINC000071791765 173322247 /nfs/dbraw/zinc/32/22/47/173322247.db2.gz SRFRDKZDZLELMX-UHFFFAOYSA-N 1 0 244.338 3.382 10 0 BGAERO c1ccc(C[NH+]2C3CC4CC(C3)CC2C4)cc1 ZINC000072105212 183397658 /nfs/dbraw/zinc/39/76/58/183397658.db2.gz PNVSKOQMNCHLPX-UHFFFAOYSA-N 1 0 227.351 3.450 10 0 BGAERO C(=Cc1cccnc1)c1c[nH]c2cc[nH+]cc12 ZINC000072107201 166226632 /nfs/dbraw/zinc/22/66/32/166226632.db2.gz VCHIGYDMJYURNY-ONEGZZNKSA-N 1 0 221.263 3.128 10 0 BGAERO c1ccc2cc([C@]34CCC[C@H]3C[NH2+]C4)ccc2c1 ZINC000072112312 183457173 /nfs/dbraw/zinc/45/71/73/183457173.db2.gz KZCROLYCBADBTI-DLBZAZTESA-N 1 0 237.346 3.481 10 0 BGAERO c1ccc2cc([C@@]34CCC[C@@H]3C[NH2+]C4)ccc2c1 ZINC000072112313 183457096 /nfs/dbraw/zinc/45/70/96/183457096.db2.gz KZCROLYCBADBTI-SJORKVTESA-N 1 0 237.346 3.481 10 0 BGAERO CC(C)CNc1nc(-c2ccccc2)c[nH]1 ZINC000072112318 167019045 /nfs/dbraw/zinc/01/90/45/167019045.db2.gz JMSYZAFWHCWGMT-UHFFFAOYSA-N 1 0 215.300 3.145 10 0 BGAERO CC(C)CCCCCCC[C@H](O)[C@@H](C)[NH3+] ZINC000072123428 166799578 /nfs/dbraw/zinc/79/95/78/166799578.db2.gz HZFYLRXGLUPZTG-OLZOCXBDSA-N 1 0 215.381 3.081 10 0 BGAERO C[NH2+]CCc1c2ccccc2[nH]c1C(C)C ZINC000072127518 173359009 /nfs/dbraw/zinc/35/90/09/173359009.db2.gz KXKFPHGYIXDYHJ-UHFFFAOYSA-N 1 0 216.328 3.053 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)c1ncc(Cl)cc1Cl ZINC000072188005 170866852 /nfs/dbraw/zinc/86/68/52/170866852.db2.gz UNQICCIVCMMFDE-HZGVNTEJSA-N 1 0 233.142 3.229 10 0 BGAERO CC[C@@H]([NH3+])[C@H](C)c1ncc(Cl)cc1Cl ZINC000072188007 170868395 /nfs/dbraw/zinc/86/83/95/170868395.db2.gz UNQICCIVCMMFDE-IMTBSYHQSA-N 1 0 233.142 3.229 10 0 BGAERO Nc1cc[nH+]c(-c2ccc(C(F)(F)F)cc2)c1 ZINC000072191775 384197526 /nfs/dbraw/zinc/19/75/26/384197526.db2.gz YJVIDWJYLPBQSC-UHFFFAOYSA-N 1 0 238.212 3.350 10 0 BGAERO CCSc1ccc([C@H]2CCC[NH2+]2)cc1 ZINC000072201968 170655129 /nfs/dbraw/zinc/65/51/29/170655129.db2.gz RTOJBACXCBLNKX-GFCCVEGCSA-N 1 0 207.342 3.223 10 0 BGAERO Cc1cc([C@@H]2CCC[NH2+]2)cc(C)c1Cl ZINC000072201995 178238948 /nfs/dbraw/zinc/23/89/48/178238948.db2.gz LUQJIBWMTMLKTK-NSHDSACASA-N 1 0 209.720 3.381 10 0 BGAERO Cc1cc([C@H]2CCC[NH2+]2)cc(C)c1Cl ZINC000072201996 178265176 /nfs/dbraw/zinc/26/51/76/178265176.db2.gz LUQJIBWMTMLKTK-LLVKDONJSA-N 1 0 209.720 3.381 10 0 BGAERO Cc1ccc(F)c([C@@H]2CCC[NH2+]2)c1Cl ZINC000072202060 384812190 /nfs/dbraw/zinc/81/21/90/384812190.db2.gz IDBFCTQZGAXYNG-VIFPVBQESA-N 1 0 213.683 3.212 10 0 BGAERO Cc1ccc(F)c([C@H]2CCC[NH2+]2)c1Cl ZINC000072202061 384810943 /nfs/dbraw/zinc/81/09/43/384810943.db2.gz IDBFCTQZGAXYNG-SECBINFHSA-N 1 0 213.683 3.212 10 0 BGAERO Cc1ccc(Cl)c([C@@H]2CCC[NH2+]2)c1F ZINC000072202062 384811717 /nfs/dbraw/zinc/81/17/17/384811717.db2.gz VCOVZIPUZSDWCY-VIFPVBQESA-N 1 0 213.683 3.212 10 0 BGAERO Cc1ccc(Cl)c([C@H]2CCC[NH2+]2)c1F ZINC000072202063 384812721 /nfs/dbraw/zinc/81/27/21/384812721.db2.gz VCOVZIPUZSDWCY-SECBINFHSA-N 1 0 213.683 3.212 10 0 BGAERO Cc1cc([C@@H]2CCC[NH2+]2)c(F)cc1Cl ZINC000072202064 178239919 /nfs/dbraw/zinc/23/99/19/178239919.db2.gz SBUPQGPJIBVSMK-NSHDSACASA-N 1 0 213.683 3.212 10 0 BGAERO Cc1cc([C@H]2CCC[NH2+]2)c(F)cc1Cl ZINC000072202065 178266910 /nfs/dbraw/zinc/26/69/10/178266910.db2.gz SBUPQGPJIBVSMK-LLVKDONJSA-N 1 0 213.683 3.212 10 0 BGAERO Fc1ccc([C@@H]2CCC[NH2+]2)c2ccccc12 ZINC000072202094 180982286 /nfs/dbraw/zinc/98/22/86/180982286.db2.gz ATPUZHUUDMGNCW-AWEZNQCLSA-N 1 0 215.271 3.403 10 0 BGAERO Fc1ccc([C@H]2CCC[NH2+]2)c2ccccc12 ZINC000072202095 180983279 /nfs/dbraw/zinc/98/32/79/180983279.db2.gz ATPUZHUUDMGNCW-CQSZACIVSA-N 1 0 215.271 3.403 10 0 BGAERO Fc1ccc(Cl)c(F)c1[C@H]1CCC[NH2+]1 ZINC000072202178 384812934 /nfs/dbraw/zinc/81/29/34/384812934.db2.gz SHXUXQJJLFULDP-MRVPVSSYSA-N 1 0 217.646 3.043 10 0 BGAERO Fc1ccc(F)c([C@H]2CCC[NH2+]2)c1Cl ZINC000072202180 384811700 /nfs/dbraw/zinc/81/17/00/384811700.db2.gz QXSMOVSJUPXUGO-MRVPVSSYSA-N 1 0 217.646 3.043 10 0 BGAERO Fc1cc([C@H]2CCC[NH2+]2)cc(Cl)c1F ZINC000072202181 180956620 /nfs/dbraw/zinc/95/66/20/180956620.db2.gz KWORTINNVLSBOK-SECBINFHSA-N 1 0 217.646 3.043 10 0 BGAERO Fc1cc(Cl)cc(F)c1[C@H]1CCC[NH2+]1 ZINC000072202182 384810513 /nfs/dbraw/zinc/81/05/13/384810513.db2.gz RUQWKIMAVCFHGC-SECBINFHSA-N 1 0 217.646 3.043 10 0 BGAERO Fc1ccc(Cl)c(F)c1[C@@H]1CCC[NH2+]1 ZINC000072202186 384809814 /nfs/dbraw/zinc/80/98/14/384809814.db2.gz SHXUXQJJLFULDP-QMMMGPOBSA-N 1 0 217.646 3.043 10 0 BGAERO Fc1ccc(F)c([C@@H]2CCC[NH2+]2)c1Cl ZINC000072202188 384810210 /nfs/dbraw/zinc/81/02/10/384810210.db2.gz QXSMOVSJUPXUGO-QMMMGPOBSA-N 1 0 217.646 3.043 10 0 BGAERO Fc1cc([C@@H]2CCC[NH2+]2)cc(Cl)c1F ZINC000072202189 180955726 /nfs/dbraw/zinc/95/57/26/180955726.db2.gz KWORTINNVLSBOK-VIFPVBQESA-N 1 0 217.646 3.043 10 0 BGAERO Fc1cc(Cl)cc(F)c1[C@@H]1CCC[NH2+]1 ZINC000072202190 384811627 /nfs/dbraw/zinc/81/16/27/384811627.db2.gz RUQWKIMAVCFHGC-VIFPVBQESA-N 1 0 217.646 3.043 10 0 BGAERO Fc1cc(F)c([C@@H]2CCC[NH2+]2)cc1Cl ZINC000072202191 180951962 /nfs/dbraw/zinc/95/19/62/180951962.db2.gz YAJAXOJVNDVFQF-JTQLQIEISA-N 1 0 217.646 3.043 10 0 BGAERO COc1ccc2cc([C@H]3CCC[NH2+]3)ccc2c1 ZINC000072202427 175225657 /nfs/dbraw/zinc/22/56/57/175225657.db2.gz MSRLGGJJODHTKX-OAHLLOKOSA-N 1 0 227.307 3.273 10 0 BGAERO Nc1c(Cl)cc([C@H]2CCC[NH2+]2)cc1Cl ZINC000072202475 181667760 /nfs/dbraw/zinc/66/77/60/181667760.db2.gz AEMDVKZPBGHQRH-SECBINFHSA-N 1 0 231.126 3.000 10 0 BGAERO Fc1c([C@@H]2CCC[NH2+]2)cccc1C(F)(F)F ZINC000072202524 383824846 /nfs/dbraw/zinc/82/48/46/383824846.db2.gz QGOGJELICIXMNC-VIFPVBQESA-N 1 0 233.208 3.269 10 0 BGAERO Fc1c([C@H]2CCC[NH2+]2)cccc1C(F)(F)F ZINC000072202525 384818761 /nfs/dbraw/zinc/81/87/61/384818761.db2.gz QGOGJELICIXMNC-SECBINFHSA-N 1 0 233.208 3.269 10 0 BGAERO Fc1cccc(C(F)(F)F)c1[C@@H]1CCC[NH2+]1 ZINC000072202526 384818789 /nfs/dbraw/zinc/81/87/89/384818789.db2.gz KUICIQGEVKEBPK-VIFPVBQESA-N 1 0 233.208 3.269 10 0 BGAERO Fc1cccc(C(F)(F)F)c1[C@H]1CCC[NH2+]1 ZINC000072202527 180995766 /nfs/dbraw/zinc/99/57/66/180995766.db2.gz KUICIQGEVKEBPK-SECBINFHSA-N 1 0 233.208 3.269 10 0 BGAERO Fc1cc(C(F)(F)F)ccc1[C@H]1CCC[NH2+]1 ZINC000072202528 383825068 /nfs/dbraw/zinc/82/50/68/383825068.db2.gz MZOKFYYAPYZNDZ-SNVBAGLBSA-N 1 0 233.208 3.269 10 0 BGAERO Fc1cc([C@@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000072202530 383825659 /nfs/dbraw/zinc/82/56/59/383825659.db2.gz JAUQXCQWOFHDQV-JTQLQIEISA-N 1 0 233.208 3.269 10 0 BGAERO Fc1cc([C@H]2CCC[NH2+]2)cc(C(F)(F)F)c1 ZINC000072202531 383824337 /nfs/dbraw/zinc/82/43/37/383824337.db2.gz JAUQXCQWOFHDQV-SNVBAGLBSA-N 1 0 233.208 3.269 10 0 BGAERO Fc1ccc([C@@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000072202532 384819463 /nfs/dbraw/zinc/81/94/63/384819463.db2.gz WSLFISIKONEACD-JTQLQIEISA-N 1 0 233.208 3.269 10 0 BGAERO Fc1ccc([C@H]2CCC[NH2+]2)c(C(F)(F)F)c1 ZINC000072202533 384819208 /nfs/dbraw/zinc/81/92/08/384819208.db2.gz WSLFISIKONEACD-SNVBAGLBSA-N 1 0 233.208 3.269 10 0 BGAERO Fc1cc([C@@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC000072202534 383826294 /nfs/dbraw/zinc/82/62/94/383826294.db2.gz LUXQAWYVSZIBGC-JTQLQIEISA-N 1 0 233.208 3.269 10 0 BGAERO Fc1cc([C@H]2CCC[NH2+]2)ccc1C(F)(F)F ZINC000072202535 180955960 /nfs/dbraw/zinc/95/59/60/180955960.db2.gz LUXQAWYVSZIBGC-SNVBAGLBSA-N 1 0 233.208 3.269 10 0 BGAERO Fc1ccc(C(F)(F)F)c([C@@H]2CCC[NH2+]2)c1 ZINC000072202536 343071770 /nfs/dbraw/zinc/07/17/70/343071770.db2.gz PDTWTZXPJZETSH-JTQLQIEISA-N 1 0 233.208 3.269 10 0 BGAERO Fc1ccc(C(F)(F)F)c([C@H]2CCC[NH2+]2)c1 ZINC000072202537 343071752 /nfs/dbraw/zinc/07/17/52/343071752.db2.gz PDTWTZXPJZETSH-SNVBAGLBSA-N 1 0 233.208 3.269 10 0 BGAERO Cc1ccc([C@@H]2CCC[NH2+]2)c(Br)c1 ZINC000072202708 384818751 /nfs/dbraw/zinc/81/87/51/384818751.db2.gz CDDFIPUZWXOWDT-NSHDSACASA-N 1 0 240.144 3.182 10 0 BGAERO Cc1ccc([C@H]2CCC[NH2+]2)c(Br)c1 ZINC000072202709 384819488 /nfs/dbraw/zinc/81/94/88/384819488.db2.gz CDDFIPUZWXOWDT-LLVKDONJSA-N 1 0 240.144 3.182 10 0 BGAERO Cc1cccc([C@@H]2CCC[NH2+]2)c1Br ZINC000072202712 179189641 /nfs/dbraw/zinc/18/96/41/179189641.db2.gz SNBHRHDJPPPQMM-JTQLQIEISA-N 1 0 240.144 3.182 10 0 BGAERO Cc1cccc([C@H]2CCC[NH2+]2)c1Br ZINC000072202713 179204043 /nfs/dbraw/zinc/20/40/43/179204043.db2.gz SNBHRHDJPPPQMM-SNVBAGLBSA-N 1 0 240.144 3.182 10 0 BGAERO Cc1c(Br)cccc1[C@@H]1CCC[NH2+]1 ZINC000072202714 384200132 /nfs/dbraw/zinc/20/01/32/384200132.db2.gz BMSYXCYQFFDZBY-NSHDSACASA-N 1 0 240.144 3.182 10 0 BGAERO Cc1c(Br)cccc1[C@H]1CCC[NH2+]1 ZINC000072202715 384200697 /nfs/dbraw/zinc/20/06/97/384200697.db2.gz BMSYXCYQFFDZBY-LLVKDONJSA-N 1 0 240.144 3.182 10 0 BGAERO Cc1ccc([C@@H]2CCC[NH2+]2)cc1Br ZINC000072202716 384818928 /nfs/dbraw/zinc/81/89/28/384818928.db2.gz MZMAXJPUNFDTKC-NSHDSACASA-N 1 0 240.144 3.182 10 0 BGAERO Cc1ccc([C@H]2CCC[NH2+]2)cc1Br ZINC000072202717 384818286 /nfs/dbraw/zinc/81/82/86/384818286.db2.gz MZMAXJPUNFDTKC-LLVKDONJSA-N 1 0 240.144 3.182 10 0 BGAERO Cc1ccc(Br)cc1[C@@H]1CCC[NH2+]1 ZINC000072202718 178362329 /nfs/dbraw/zinc/36/23/29/178362329.db2.gz FBSZWWZPOIIBMS-NSHDSACASA-N 1 0 240.144 3.182 10 0 BGAERO Cc1ccc(Br)cc1[C@H]1CCC[NH2+]1 ZINC000072202719 178362358 /nfs/dbraw/zinc/36/23/58/178362358.db2.gz FBSZWWZPOIIBMS-LLVKDONJSA-N 1 0 240.144 3.182 10 0 BGAERO Fc1c(Br)cccc1[C@@H]1CCC[NH2+]1 ZINC000072202758 384820465 /nfs/dbraw/zinc/82/04/65/384820465.db2.gz LAWVVZKMCMFAJQ-VIFPVBQESA-N 1 0 244.107 3.013 10 0 BGAERO Fc1cccc([C@H]2CCC[NH2+]2)c1Br ZINC000072202759 181004107 /nfs/dbraw/zinc/00/41/07/181004107.db2.gz UXNLGKLIUQTOBD-SECBINFHSA-N 1 0 244.107 3.013 10 0 BGAERO Fc1cccc(Br)c1[C@H]1CCC[NH2+]1 ZINC000072202760 384817953 /nfs/dbraw/zinc/81/79/53/384817953.db2.gz OBIFVJJAWAAFGV-SECBINFHSA-N 1 0 244.107 3.013 10 0 BGAERO Fc1c(Br)cccc1[C@H]1CCC[NH2+]1 ZINC000072202762 180945484 /nfs/dbraw/zinc/94/54/84/180945484.db2.gz LAWVVZKMCMFAJQ-SECBINFHSA-N 1 0 244.107 3.013 10 0 BGAERO Fc1cccc([C@@H]2CCC[NH2+]2)c1Br ZINC000072202763 383825596 /nfs/dbraw/zinc/82/55/96/383825596.db2.gz UXNLGKLIUQTOBD-VIFPVBQESA-N 1 0 244.107 3.013 10 0 BGAERO Fc1cccc(Br)c1[C@@H]1CCC[NH2+]1 ZINC000072202764 384820422 /nfs/dbraw/zinc/82/04/22/384820422.db2.gz OBIFVJJAWAAFGV-VIFPVBQESA-N 1 0 244.107 3.013 10 0 BGAERO Fc1cccc2c1C[NH2+]C[C@H]2c1ccccc1 ZINC000072209306 526401418 /nfs/dbraw/zinc/40/14/18/526401418.db2.gz DADJBHYTYWHLNR-ZDUSSCGKSA-N 1 0 227.282 3.061 10 0 BGAERO Fc1cccc2c1C[NH2+]C[C@@H]2c1ccccc1 ZINC000072209307 526402401 /nfs/dbraw/zinc/40/24/01/526402401.db2.gz DADJBHYTYWHLNR-CYBMUJFWSA-N 1 0 227.282 3.061 10 0 BGAERO Fc1ccc2c(c1)C[NH2+]C[C@H]2c1ccccc1 ZINC000072209308 526370936 /nfs/dbraw/zinc/37/09/36/526370936.db2.gz KJBZQYGGYFXZAM-HNNXBMFYSA-N 1 0 227.282 3.061 10 0 BGAERO Fc1ccc2c(c1)C[NH2+]C[C@@H]2c1ccccc1 ZINC000072209309 526370084 /nfs/dbraw/zinc/37/00/84/526370084.db2.gz KJBZQYGGYFXZAM-OAHLLOKOSA-N 1 0 227.282 3.061 10 0 BGAERO Fc1ccc2c(c1)[C@H](c1ccccc1)C[NH2+]C2 ZINC000072209310 526375499 /nfs/dbraw/zinc/37/54/99/526375499.db2.gz RCRLIGYIKWSFDA-HNNXBMFYSA-N 1 0 227.282 3.061 10 0 BGAERO Fc1ccc2c(c1)[C@@H](c1ccccc1)C[NH2+]C2 ZINC000072209311 526373863 /nfs/dbraw/zinc/37/38/63/526373863.db2.gz RCRLIGYIKWSFDA-OAHLLOKOSA-N 1 0 227.282 3.061 10 0 BGAERO Cc1cc(N)c2cc(C)c(Cl)cc2[nH+]1 ZINC000072237425 178104472 /nfs/dbraw/zinc/10/44/72/178104472.db2.gz BFVRMDVPXHRLNH-UHFFFAOYSA-N 1 0 206.676 3.087 10 0 BGAERO Cc1csc([C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000072361353 387125138 /nfs/dbraw/zinc/12/51/38/387125138.db2.gz URRVWDGRFWYQMQ-GFCCVEGCSA-N 1 0 236.384 3.041 10 0 BGAERO Cc1csc([C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000072361354 179796312 /nfs/dbraw/zinc/79/63/12/179796312.db2.gz URRVWDGRFWYQMQ-LBPRGKRZSA-N 1 0 236.384 3.041 10 0 BGAERO [NH3+][C@H]1CCCc2[nH]nc(-c3ccc(Cl)cc3)c21 ZINC000072415322 384104666 /nfs/dbraw/zinc/10/46/66/384104666.db2.gz TYRLRRQDDDFXHY-JTQLQIEISA-N 1 0 247.729 3.066 10 0 BGAERO [NH3+][C@@H]1CCCc2[nH]nc(-c3ccc(Cl)cc3)c21 ZINC000072415323 384104768 /nfs/dbraw/zinc/10/47/68/384104768.db2.gz TYRLRRQDDDFXHY-SNVBAGLBSA-N 1 0 247.729 3.066 10 0 BGAERO CC1(C)Cc2[nH]nc(-c3ccccc3)c2[C@H]([NH3+])C1 ZINC000072415326 187276836 /nfs/dbraw/zinc/27/68/36/187276836.db2.gz RCRBRCDTAVEDNT-LLVKDONJSA-N 1 0 241.338 3.049 10 0 BGAERO CC1(C)Cc2[nH]nc(-c3ccccc3)c2[C@@H]([NH3+])C1 ZINC000072415327 343950821 /nfs/dbraw/zinc/95/08/21/343950821.db2.gz RCRBRCDTAVEDNT-NSHDSACASA-N 1 0 241.338 3.049 10 0 BGAERO Cc1nn(-c2ccc(C)c(C)c2)c(C)c1[C@@H](C)[NH3+] ZINC000072415676 178348108 /nfs/dbraw/zinc/34/81/08/178348108.db2.gz JOVMXHWKXDJFHH-LLVKDONJSA-N 1 0 243.354 3.126 10 0 BGAERO Cc1nn(-c2ccc(C)c(C)c2)c(C)c1[C@H](C)[NH3+] ZINC000072415677 178348121 /nfs/dbraw/zinc/34/81/21/178348121.db2.gz JOVMXHWKXDJFHH-NSHDSACASA-N 1 0 243.354 3.126 10 0 BGAERO Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@@H](C)[NH3+] ZINC000072415680 180329729 /nfs/dbraw/zinc/32/97/29/180329729.db2.gz RMZZMYVKABNDGS-MRVPVSSYSA-N 1 0 249.745 3.162 10 0 BGAERO Cc1nn(-c2ccc(Cl)cc2)c(C)c1[C@H](C)[NH3+] ZINC000072415681 180329425 /nfs/dbraw/zinc/32/94/25/180329425.db2.gz RMZZMYVKABNDGS-QMMMGPOBSA-N 1 0 249.745 3.162 10 0 BGAERO C[N@H+](Cc1ccc2ccccc2n1)C1CCC1 ZINC000072722581 384230612 /nfs/dbraw/zinc/23/06/12/384230612.db2.gz HLHWNMPIBBEUDB-UHFFFAOYSA-N 1 0 226.323 3.219 10 0 BGAERO C[C@@H]1CCC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000072816114 325176710 /nfs/dbraw/zinc/17/67/10/325176710.db2.gz VMPFDLCFTNSLQX-CYBMUJFWSA-N 1 0 240.350 3.467 10 0 BGAERO CCCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000072816379 398187582 /nfs/dbraw/zinc/18/75/82/398187582.db2.gz RXMAKJZFFGPVMF-UHFFFAOYSA-N 1 0 228.339 3.467 10 0 BGAERO CC1CC[NH+](Cc2ccc3ccccc3n2)CC1 ZINC000072816765 325176428 /nfs/dbraw/zinc/17/64/28/325176428.db2.gz LLGFGOFWSAXZAJ-UHFFFAOYSA-N 1 0 240.350 3.467 10 0 BGAERO c1ccc(N[C@H]2CCc3ccccc32)nc1 ZINC000073109603 384025244 /nfs/dbraw/zinc/02/52/44/384025244.db2.gz SOYFIGIJTNJYNZ-ZDUSSCGKSA-N 1 0 210.280 3.181 10 0 BGAERO c1ccc(N[C@@H]2CCc3ccccc32)nc1 ZINC000073109605 384023582 /nfs/dbraw/zinc/02/35/82/384023582.db2.gz SOYFIGIJTNJYNZ-CYBMUJFWSA-N 1 0 210.280 3.181 10 0 BGAERO CC[C@H](C)[NH2+]Cc1csc(-c2ccco2)n1 ZINC000073623124 171344257 /nfs/dbraw/zinc/34/42/57/171344257.db2.gz WOMTVTABHJGSJK-VIFPVBQESA-N 1 0 236.340 3.291 10 0 BGAERO CC[N@H+]1CC=C(c2nc3cc(C)ccc3o2)CC1 ZINC000073635983 343357861 /nfs/dbraw/zinc/35/78/61/343357861.db2.gz LTPOAQAVMLACEQ-UHFFFAOYSA-N 1 0 242.322 3.245 10 0 BGAERO CCc1ccc2oc(C3=CC[N@H+](C)CC3)nc2c1 ZINC000073635987 384024297 /nfs/dbraw/zinc/02/42/97/384024297.db2.gz BNCFMBWYIZUACD-UHFFFAOYSA-N 1 0 242.322 3.109 10 0 BGAERO Cc1cc2nc(C3=CC[N@H+](C)CC3)oc2c(C)c1 ZINC000073636001 384023419 /nfs/dbraw/zinc/02/34/19/384023419.db2.gz WHKVFWUBCQMOMT-UHFFFAOYSA-N 1 0 242.322 3.164 10 0 BGAERO Cc1cc2nc(C3=CC[N@H+](C)CC3)oc2cc1C ZINC000073636011 178302678 /nfs/dbraw/zinc/30/26/78/178302678.db2.gz WKCILBQTKWSYHG-UHFFFAOYSA-N 1 0 242.322 3.164 10 0 BGAERO C[N@H+]1CC=C(c2nc3cc(Cl)ccc3o2)CC1 ZINC000073636016 384025330 /nfs/dbraw/zinc/02/53/30/384025330.db2.gz RZDWYLYWOTVDPD-UHFFFAOYSA-N 1 0 248.713 3.200 10 0 BGAERO C[N@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000073636023 386437257 /nfs/dbraw/zinc/43/72/57/386437257.db2.gz XJDQQDYTOJCFDU-UHFFFAOYSA-N 1 0 230.336 3.015 10 0 BGAERO CC[N@H+]1CC=C(c2nc3ccccc3s2)CC1 ZINC000073636024 343357746 /nfs/dbraw/zinc/35/77/46/343357746.db2.gz ZHHHDBKBLNVYML-UHFFFAOYSA-N 1 0 244.363 3.405 10 0 BGAERO CCC[N@H+]1CC=C(c2nc3ccccc3o2)CC1 ZINC000073636255 169187077 /nfs/dbraw/zinc/18/70/77/169187077.db2.gz IENNKKAGOSWQBL-UHFFFAOYSA-N 1 0 242.322 3.327 10 0 BGAERO CCC[N@H+]1CC=C(c2nc3ccccc3[nH]2)CC1 ZINC000073636285 169186772 /nfs/dbraw/zinc/18/67/72/169186772.db2.gz WPYRXPAMYSZULK-UHFFFAOYSA-N 1 0 241.338 3.062 10 0 BGAERO CC[N@H+]1CC=C(c2nc3ccc(C)cc3o2)CC1 ZINC000073636320 343357409 /nfs/dbraw/zinc/35/74/09/343357409.db2.gz AWIQZZTWGVWDFN-UHFFFAOYSA-N 1 0 242.322 3.245 10 0 BGAERO Cc1ccc2nc(C3=CC[N@H+](C)CC3)sc2c1 ZINC000073638455 384029063 /nfs/dbraw/zinc/02/90/63/384029063.db2.gz XPBLIFSJZZYULK-UHFFFAOYSA-N 1 0 244.363 3.324 10 0 BGAERO Cc1cccc2sc(C3=CC[N@H+](C)CC3)nc21 ZINC000073638866 179234170 /nfs/dbraw/zinc/23/41/70/179234170.db2.gz ZUYAPTSGDBRAKT-UHFFFAOYSA-N 1 0 244.363 3.324 10 0 BGAERO C[N@H+]1CC=C(c2nc3ccc(F)cc3s2)CC1 ZINC000073638888 384028133 /nfs/dbraw/zinc/02/81/33/384028133.db2.gz RRJLTCBWXFWWMB-UHFFFAOYSA-N 1 0 248.326 3.154 10 0 BGAERO CCC[N@@H+]1CC[C@H](Nc2ccccc2)[C@H](C)C1 ZINC000073654055 169209152 /nfs/dbraw/zinc/20/91/52/169209152.db2.gz SRJXJVBGJDAJST-HIFRSBDPSA-N 1 0 232.371 3.219 10 0 BGAERO CCC[N@@H+]1CC[C@@H](Nc2ccccc2)[C@H](C)C1 ZINC000073654059 169207354 /nfs/dbraw/zinc/20/73/54/169207354.db2.gz SRJXJVBGJDAJST-UKRRQHHQSA-N 1 0 232.371 3.219 10 0 BGAERO CCC[N@@H+]1CC[C@H](Nc2ccccc2)C[C@@H]1C ZINC000073655962 169208997 /nfs/dbraw/zinc/20/89/97/169208997.db2.gz LOGINMAWTOPMFF-ZFWWWQNUSA-N 1 0 232.371 3.361 10 0 BGAERO CCC[N@@H+]1CC[C@@H](Nc2ccccc2)C[C@@H]1C ZINC000073655965 169207337 /nfs/dbraw/zinc/20/73/37/169207337.db2.gz LOGINMAWTOPMFF-DZGCQCFKSA-N 1 0 232.371 3.361 10 0 BGAERO COc1ccc(NC2=[NH+]CCCCC2)cc1OC ZINC000073712308 175149684 /nfs/dbraw/zinc/14/96/84/175149684.db2.gz VYZWQTCJFICEFN-UHFFFAOYSA-N 1 0 248.326 3.088 10 0 BGAERO C[C@@H](C1CC1)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000073779912 357929465 /nfs/dbraw/zinc/92/94/65/357929465.db2.gz XGEODHNIBHPPOH-LBPRGKRZSA-N 1 0 240.350 3.465 10 0 BGAERO C[C@H](C1CC1)[N@H+](C)Cc1ccc2ccccc2n1 ZINC000073779913 357930068 /nfs/dbraw/zinc/93/00/68/357930068.db2.gz XGEODHNIBHPPOH-GFCCVEGCSA-N 1 0 240.350 3.465 10 0 BGAERO CC(C)Cc1nc([C@H]([NH3+])CC(C)C)cs1 ZINC000073997243 188115060 /nfs/dbraw/zinc/11/50/60/188115060.db2.gz BMFRHDXXAUWLKC-SNVBAGLBSA-N 1 0 226.389 3.388 10 0 BGAERO CCC1(CC)C[C@@H]([NH3+])c2ccc(F)cc2O1 ZINC000074032541 358420514 /nfs/dbraw/zinc/42/05/14/358420514.db2.gz DFKBKKIJQMQTSH-LLVKDONJSA-N 1 0 223.291 3.167 10 0 BGAERO CC[C@H]([NH3+])[C@@H](C)c1c[nH]c2ccccc21 ZINC000074209271 343074537 /nfs/dbraw/zinc/07/45/37/343074537.db2.gz AWNBBZMGNXKJOO-CABZTGNLSA-N 1 0 202.301 3.009 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)c1c[nH]c2ccccc21 ZINC000074209274 343074588 /nfs/dbraw/zinc/07/45/88/343074588.db2.gz AWNBBZMGNXKJOO-JOYOIKCWSA-N 1 0 202.301 3.009 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)c1c[nH]c2ccccc21 ZINC000074209275 398201590 /nfs/dbraw/zinc/20/15/90/398201590.db2.gz AWNBBZMGNXKJOO-SKDRFNHKSA-N 1 0 202.301 3.009 10 0 BGAERO CC[C@@H]([NH3+])[C@H](C)c1c[nH]c2ccccc21 ZINC000074209278 343074450 /nfs/dbraw/zinc/07/44/50/343074450.db2.gz AWNBBZMGNXKJOO-BXKDBHETSA-N 1 0 202.301 3.009 10 0 BGAERO [NH3+][C@H](CC1CC1)c1cc2ccccc2o1 ZINC000074212100 541313919 /nfs/dbraw/zinc/31/39/19/541313919.db2.gz YUCOMZUGBVMABB-LLVKDONJSA-N 1 0 201.269 3.233 10 0 BGAERO [NH3+][C@@H](CC1CC1)c1cc2ccccc2o1 ZINC000074212102 541313785 /nfs/dbraw/zinc/31/37/85/541313785.db2.gz YUCOMZUGBVMABB-NSHDSACASA-N 1 0 201.269 3.233 10 0 BGAERO Cc1cc2nc([C@H](C(C)C)[NH+](C)C)[nH]c2cc1C ZINC000074324291 178303858 /nfs/dbraw/zinc/30/38/58/178303858.db2.gz SYLFFOMMCLXYKZ-AWEZNQCLSA-N 1 0 245.370 3.438 10 0 BGAERO [NH3+]CCCC(=O)c1ccc(-c2ccccc2)cc1 ZINC000074367328 181373580 /nfs/dbraw/zinc/37/35/80/181373580.db2.gz JDSJZPLQASRJOZ-UHFFFAOYSA-N 1 0 239.318 3.275 10 0 BGAERO O=C(c1ccc2ccccc2c1)[C@H]1CCCC[NH2+]1 ZINC000074367421 182667286 /nfs/dbraw/zinc/66/72/86/182667286.db2.gz HYWLCZLAHJRBRQ-OAHLLOKOSA-N 1 0 239.318 3.165 10 0 BGAERO Cc1cc(C)c(C)c([C@@H](O)[C@H]2CCCC[NH2+]2)c1C ZINC000074369216 177853259 /nfs/dbraw/zinc/85/32/59/177853259.db2.gz HZOVNTIAHBCDTC-ZBFHGGJFSA-N 1 0 247.382 3.096 10 0 BGAERO CC[C@@H](C)c1ccc([C@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000074369596 170805400 /nfs/dbraw/zinc/80/54/00/170805400.db2.gz YBMJTLSEUSWLCL-KCXAZCMYSA-N 1 0 247.382 3.376 10 0 BGAERO CC[C@H](C)c1ccc([C@@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000074369609 171411584 /nfs/dbraw/zinc/41/15/84/171411584.db2.gz YBMJTLSEUSWLCL-VBNZEHGJSA-N 1 0 247.382 3.376 10 0 BGAERO CC(C)Cc1ccc([C@@H](O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000074369665 188306787 /nfs/dbraw/zinc/30/67/87/188306787.db2.gz FWGZVQPIINWAJT-JKSUJKDBSA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)Cc1ccc([C@@H](O)[C@H]2CCCC[NH2+]2)cc1 ZINC000074369672 187277641 /nfs/dbraw/zinc/27/76/41/187277641.db2.gz FWGZVQPIINWAJT-HZPDHXFCSA-N 1 0 247.382 3.061 10 0 BGAERO Cc1cccn2c(N)c(C3CCCCC3)[nH+]c12 ZINC000074541915 179353542 /nfs/dbraw/zinc/35/35/42/179353542.db2.gz DFTCRUZCIGNJLK-UHFFFAOYSA-N 1 0 229.327 3.273 10 0 BGAERO Cc1cccc2[nH+]c(C3CCCCC3)c(N)n21 ZINC000074542283 179230107 /nfs/dbraw/zinc/23/01/07/179230107.db2.gz FKLKMPJECZDOJH-UHFFFAOYSA-N 1 0 229.327 3.273 10 0 BGAERO Cc1ccc(-c2nc3ccc(F)cn3c2N)cc1 ZINC000074542939 178337098 /nfs/dbraw/zinc/33/70/98/178337098.db2.gz NJDXRSQADDPLDU-UHFFFAOYSA-N 1 0 241.269 3.031 10 0 BGAERO Fc1ccc2c(NCC(F)F)cc[nH+]c2c1 ZINC000075060229 344763694 /nfs/dbraw/zinc/76/36/94/344763694.db2.gz UUKIKZUQCYUJFY-UHFFFAOYSA-N 1 0 226.201 3.051 10 0 BGAERO C[C@H]1CC[NH2+][C@@H]1c1cc(F)ccc1Cl ZINC000075069427 177175250 /nfs/dbraw/zinc/17/52/50/177175250.db2.gz DKUASPVPRSOPQQ-CPCISQLKSA-N 1 0 213.683 3.150 10 0 BGAERO CCCCn1c(N)[nH+]c2cc(C)c(C)cc21 ZINC000075415054 169034122 /nfs/dbraw/zinc/03/41/22/169034122.db2.gz OKUJNTOCGNYHCJ-UHFFFAOYSA-N 1 0 217.316 3.035 10 0 BGAERO Cc1cc2[nH+]c(N)n(CCC(C)C)c2cc1C ZINC000075415070 178301697 /nfs/dbraw/zinc/30/16/97/178301697.db2.gz PYJJEZCHRGREGK-UHFFFAOYSA-N 1 0 231.343 3.281 10 0 BGAERO COc1ccc2c(Cl)c(C[NH3+])sc2c1 ZINC000075422952 175204919 /nfs/dbraw/zinc/20/49/19/175204919.db2.gz RTXDOVACUMNBTN-UHFFFAOYSA-N 1 0 227.716 3.022 10 0 BGAERO COc1ccc2sc(C[NH3+])c(Cl)c2c1 ZINC000075422957 175232178 /nfs/dbraw/zinc/23/21/78/175232178.db2.gz PSOAIWWSUGWAHS-UHFFFAOYSA-N 1 0 227.716 3.022 10 0 BGAERO Cc1ccc2sc(CC[NH3+])c(Cl)c2c1 ZINC000075422967 178990481 /nfs/dbraw/zinc/99/04/81/178990481.db2.gz FLJQAMAZATUXBK-UHFFFAOYSA-N 1 0 225.744 3.364 10 0 BGAERO CC(C)([NH3+])Cc1ccc2sccc2c1 ZINC000075427358 367903542 /nfs/dbraw/zinc/90/35/42/367903542.db2.gz KHHYVKFEIJLFEO-UHFFFAOYSA-N 1 0 205.326 3.181 10 0 BGAERO [NH3+]CCCCc1ccc2cc[nH]c2c1Cl ZINC000075446919 181378487 /nfs/dbraw/zinc/37/84/87/181378487.db2.gz TXXAZDWDHWFOLI-UHFFFAOYSA-N 1 0 222.719 3.103 10 0 BGAERO CCSCCC[N@@H+]1CCc2ccccc2C1 ZINC000075589537 347254229 /nfs/dbraw/zinc/25/42/29/347254229.db2.gz QQFXMLBEQMUYNT-UHFFFAOYSA-N 1 0 235.396 3.188 10 0 BGAERO Cc1cccc([C@H](C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000075589606 325301314 /nfs/dbraw/zinc/30/13/14/325301314.db2.gz GDWLAPNFRCLFBA-MCIONIFRSA-N 1 0 233.355 3.165 10 0 BGAERO C[C@]12CCCC[C@@H]1[NH2+]Cc1sccc12 ZINC000075615139 177482366 /nfs/dbraw/zinc/48/23/66/177482366.db2.gz USQXRCOIADZHTE-NWDGAFQWSA-N 1 0 207.342 3.052 10 0 BGAERO CC12CC3(C)CC(C)(C1)CC(C[NH3+])(C2)C3 ZINC000075615150 168074373 /nfs/dbraw/zinc/07/43/73/168074373.db2.gz DGCXBEHZGPYUKX-UHFFFAOYSA-N 1 0 207.361 3.332 10 0 BGAERO C1=C(CC2CC[NH2+]CC2)c2ccccc2C1 ZINC000075623042 367932668 /nfs/dbraw/zinc/93/26/68/367932668.db2.gz PAWJKIYQJJNRDM-UHFFFAOYSA-N 1 0 213.324 3.016 10 0 BGAERO CC[C@]1(C)C[C@@]2(CCC[NH2+]C2)CCS1 ZINC000075623081 171720216 /nfs/dbraw/zinc/72/02/16/171720216.db2.gz XFPQOIPFAAYCMM-VXGBXAGGSA-N 1 0 213.390 3.052 10 0 BGAERO CC[C@]1(C)C[C@]2(CCC[NH2+]C2)CCS1 ZINC000075623087 171721348 /nfs/dbraw/zinc/72/13/48/171721348.db2.gz XFPQOIPFAAYCMM-NEPJUHHUSA-N 1 0 213.390 3.052 10 0 BGAERO CC[C@@]1(C)C[C@]2(CCC[NH2+]C2)CCS1 ZINC000075623090 171207818 /nfs/dbraw/zinc/20/78/18/171207818.db2.gz XFPQOIPFAAYCMM-RYUDHWBXSA-N 1 0 213.390 3.052 10 0 BGAERO CC(C)(C)[C@H]1[NH2+]CCc2c(F)cc(F)c(F)c21 ZINC000075689174 188269711 /nfs/dbraw/zinc/26/97/11/188269711.db2.gz DREQQSCFMUNHPT-LBPRGKRZSA-N 1 0 243.272 3.337 10 0 BGAERO CC(C)[C@H]([NH3+])c1c(F)c(F)c(F)c(F)c1F ZINC000075854016 188308560 /nfs/dbraw/zinc/30/85/60/188308560.db2.gz CTSRFPWLXMNXSC-JTQLQIEISA-N 1 0 239.187 3.038 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cccc(Br)c1F ZINC000075854019 167422312 /nfs/dbraw/zinc/42/23/12/167422312.db2.gz SNBQGMMDVKTFRT-SNVBAGLBSA-N 1 0 246.123 3.244 10 0 BGAERO CC(C)[C@@H]([NH3+])c1c(F)cccc1Br ZINC000075854021 167423273 /nfs/dbraw/zinc/42/32/73/167423273.db2.gz XUJBIJVFEOQDHN-SNVBAGLBSA-N 1 0 246.123 3.244 10 0 BGAERO Cc1cc(O)c(C(C)C)cc1[C@H]([NH3+])C(C)C ZINC000075854094 643696888 /nfs/dbraw/zinc/69/68/88/643696888.db2.gz BEEWFKBIHYKEHN-CQSZACIVSA-N 1 0 221.344 3.480 10 0 BGAERO Cc1cc(O)c(C(C)C)cc1[C@@H]([NH3+])C(C)C ZINC000075854095 643698340 /nfs/dbraw/zinc/69/83/40/643698340.db2.gz BEEWFKBIHYKEHN-AWEZNQCLSA-N 1 0 221.344 3.480 10 0 BGAERO Cc1c(Cl)ccc([C@H]2CCC[NH2+]2)c1F ZINC000075867992 177598348 /nfs/dbraw/zinc/59/83/48/177598348.db2.gz JFVZNHPJKXGWDG-SNVBAGLBSA-N 1 0 213.683 3.212 10 0 BGAERO COc1cccc([C@@H]2CCCCC[NH2+]2)c1F ZINC000075868561 175289854 /nfs/dbraw/zinc/28/98/54/175289854.db2.gz FWNKWHNCDBDCKW-NSHDSACASA-N 1 0 223.291 3.039 10 0 BGAERO COc1cccc([C@H]2CCCCC[NH2+]2)c1F ZINC000075868562 175295518 /nfs/dbraw/zinc/29/55/18/175295518.db2.gz FWNKWHNCDBDCKW-LLVKDONJSA-N 1 0 223.291 3.039 10 0 BGAERO COc1ccc([C@@H]2CCCCC[NH2+]2)c(F)c1 ZINC000075868563 175181868 /nfs/dbraw/zinc/18/18/68/175181868.db2.gz LFKBIGSEXXKKRO-ZDUSSCGKSA-N 1 0 223.291 3.039 10 0 BGAERO COc1ccc([C@H]2CCCCC[NH2+]2)c(F)c1 ZINC000075868564 175194789 /nfs/dbraw/zinc/19/47/89/175194789.db2.gz LFKBIGSEXXKKRO-CYBMUJFWSA-N 1 0 223.291 3.039 10 0 BGAERO COc1cccc(F)c1[C@@H]1CCCCC[NH2+]1 ZINC000075868565 175274549 /nfs/dbraw/zinc/27/45/49/175274549.db2.gz DDKDNAYEEUUZES-NSHDSACASA-N 1 0 223.291 3.039 10 0 BGAERO COc1cccc(F)c1[C@H]1CCCCC[NH2+]1 ZINC000075868566 175275278 /nfs/dbraw/zinc/27/52/78/175275278.db2.gz DDKDNAYEEUUZES-LLVKDONJSA-N 1 0 223.291 3.039 10 0 BGAERO Fc1cc(F)c([C@H]2CCCCC[NH2+]2)c(F)c1 ZINC000075868568 180951433 /nfs/dbraw/zinc/95/14/33/180951433.db2.gz CINCXROBSBSDOH-LLVKDONJSA-N 1 0 229.245 3.309 10 0 BGAERO c1cc2cc([C@@H]3CCCCC[NH2+]3)ccc2[nH]1 ZINC000075868617 183374694 /nfs/dbraw/zinc/37/46/94/183374694.db2.gz CKBHJKKNKXOHEW-ZDUSSCGKSA-N 1 0 214.312 3.373 10 0 BGAERO c1cc2cc([C@H]3CCCCC[NH2+]3)ccc2[nH]1 ZINC000075868618 183374986 /nfs/dbraw/zinc/37/49/86/183374986.db2.gz CKBHJKKNKXOHEW-CYBMUJFWSA-N 1 0 214.312 3.373 10 0 BGAERO c1nn(-c2ccccc2)cc1[C@@H]1CCCCC[NH2+]1 ZINC000075868653 183386477 /nfs/dbraw/zinc/38/64/77/183386477.db2.gz KWAOSJSQDXAMKV-HNNXBMFYSA-N 1 0 241.338 3.077 10 0 BGAERO c1nn(-c2ccccc2)cc1[C@H]1CCCCC[NH2+]1 ZINC000075868654 183386430 /nfs/dbraw/zinc/38/64/30/183386430.db2.gz KWAOSJSQDXAMKV-OAHLLOKOSA-N 1 0 241.338 3.077 10 0 BGAERO CCn1c2ccccc2nc1[C@H]1CCCCC[NH2+]1 ZINC000075868812 188308925 /nfs/dbraw/zinc/30/89/25/188308925.db2.gz LGKHSMISNMAAPV-CYBMUJFWSA-N 1 0 243.354 3.261 10 0 BGAERO c1cc([C@@H]2CCCCC[NH2+]2)n(-c2ccccc2)n1 ZINC000075868931 183388166 /nfs/dbraw/zinc/38/81/66/183388166.db2.gz ALPKSVYCRQCVQG-AWEZNQCLSA-N 1 0 241.338 3.077 10 0 BGAERO c1cc([C@H]2CCCCC[NH2+]2)n(-c2ccccc2)n1 ZINC000075868932 183388133 /nfs/dbraw/zinc/38/81/33/183388133.db2.gz ALPKSVYCRQCVQG-CQSZACIVSA-N 1 0 241.338 3.077 10 0 BGAERO COc1ccc2oc([C@@H]3CCCCC[NH2+]3)nc2c1 ZINC000075868963 175230739 /nfs/dbraw/zinc/23/07/39/175230739.db2.gz OJSXKRZWOQWXBD-NSHDSACASA-N 1 0 246.310 3.041 10 0 BGAERO COc1ccc2oc([C@H]3CCCCC[NH2+]3)nc2c1 ZINC000075868964 175231729 /nfs/dbraw/zinc/23/17/29/175231729.db2.gz OJSXKRZWOQWXBD-LLVKDONJSA-N 1 0 246.310 3.041 10 0 BGAERO CCc1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000075869013 398229722 /nfs/dbraw/zinc/22/97/22/398229722.db2.gz KMWLDFBBZNFIBG-AWEZNQCLSA-N 1 0 203.329 3.454 10 0 BGAERO CCc1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000075869014 398229188 /nfs/dbraw/zinc/22/91/88/398229188.db2.gz KMWLDFBBZNFIBG-CQSZACIVSA-N 1 0 203.329 3.454 10 0 BGAERO Fc1cc(F)c(F)c([C@H]2CCCC[NH2+]2)c1F ZINC000075869054 180952157 /nfs/dbraw/zinc/95/21/57/180952157.db2.gz JJCHTOLMAUJFPJ-MRVPVSSYSA-N 1 0 233.208 3.058 10 0 BGAERO Cc1c(Cl)cccc1[C@H]1CCCC[NH2+]1 ZINC000075869092 177603306 /nfs/dbraw/zinc/60/33/06/177603306.db2.gz DNFRQESSEWKLTB-GFCCVEGCSA-N 1 0 209.720 3.463 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccc(F)cc2)c1F ZINC000075871722 179200818 /nfs/dbraw/zinc/20/08/18/179200818.db2.gz CHFNDXYWUOVVTH-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccc(F)cc2)c1F ZINC000075871723 179185933 /nfs/dbraw/zinc/18/59/33/179185933.db2.gz CHFNDXYWUOVVTH-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccc(F)cc2)c1F ZINC000075871726 175294703 /nfs/dbraw/zinc/29/47/03/175294703.db2.gz KESJNNFUKDELGM-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccc(F)cc2)c1F ZINC000075871727 175288391 /nfs/dbraw/zinc/28/83/91/175288391.db2.gz KESJNNFUKDELGM-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc(F)c1[C@H]([NH3+])c1ccc(F)cc1 ZINC000075871728 175275411 /nfs/dbraw/zinc/27/54/11/175275411.db2.gz SSAYVQWYHZBCFP-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc(F)c1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000075871729 175274258 /nfs/dbraw/zinc/27/42/58/175274258.db2.gz SSAYVQWYHZBCFP-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO Cc1cccc(C)c1[C@H]([NH3+])c1ccc(F)cc1 ZINC000075871750 179050994 /nfs/dbraw/zinc/05/09/94/179050994.db2.gz RUUAAPGYZVGHTH-OAHLLOKOSA-N 1 0 229.298 3.491 10 0 BGAERO Cc1cccc(C)c1[C@@H]([NH3+])c1ccc(F)cc1 ZINC000075871751 179049468 /nfs/dbraw/zinc/04/94/68/179049468.db2.gz RUUAAPGYZVGHTH-HNNXBMFYSA-N 1 0 229.298 3.491 10 0 BGAERO Cc1cccc([C@H]([NH3+])c2ccccc2F)c1F ZINC000075872357 179200094 /nfs/dbraw/zinc/20/00/94/179200094.db2.gz OSWCCBBTXNXIRV-CQSZACIVSA-N 1 0 233.261 3.321 10 0 BGAERO Cc1cccc([C@@H]([NH3+])c2ccccc2F)c1F ZINC000075872358 179186793 /nfs/dbraw/zinc/18/67/93/179186793.db2.gz OSWCCBBTXNXIRV-AWEZNQCLSA-N 1 0 233.261 3.321 10 0 BGAERO COc1cccc([C@H]([NH3+])c2ccccc2F)c1F ZINC000075872361 175294691 /nfs/dbraw/zinc/29/46/91/175294691.db2.gz JYVOYQNIDKKKBQ-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc([C@@H]([NH3+])c2ccccc2F)c1F ZINC000075872362 175288802 /nfs/dbraw/zinc/28/88/02/175288802.db2.gz JYVOYQNIDKKKBQ-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc(F)c1[C@H]([NH3+])c1ccccc1F ZINC000075872363 175275273 /nfs/dbraw/zinc/27/52/73/175275273.db2.gz DCJSMPAERSSBFO-CQSZACIVSA-N 1 0 249.260 3.022 10 0 BGAERO COc1cccc(F)c1[C@@H]([NH3+])c1ccccc1F ZINC000075872364 175274674 /nfs/dbraw/zinc/27/46/74/175274674.db2.gz DCJSMPAERSSBFO-AWEZNQCLSA-N 1 0 249.260 3.022 10 0 BGAERO Cc1cccc(C)c1[C@H]([NH3+])c1ccccc1F ZINC000075872389 179051131 /nfs/dbraw/zinc/05/11/31/179051131.db2.gz AQRODAPNISWOIL-OAHLLOKOSA-N 1 0 229.298 3.491 10 0 BGAERO Cc1cccc(C)c1[C@@H]([NH3+])c1ccccc1F ZINC000075872390 179049524 /nfs/dbraw/zinc/04/95/24/179049524.db2.gz AQRODAPNISWOIL-HNNXBMFYSA-N 1 0 229.298 3.491 10 0 BGAERO CC(C)(C[NH3+])COc1ccc(C(F)(F)F)cc1 ZINC000075880686 187962758 /nfs/dbraw/zinc/96/27/58/187962758.db2.gz IJKAPHCDDIMZMI-UHFFFAOYSA-N 1 0 247.260 3.069 10 0 BGAERO Cc1ccc(F)cc1Oc1ccc(C(N)=[NH2+])cc1 ZINC000075881602 178691943 /nfs/dbraw/zinc/69/19/43/178691943.db2.gz HGDBFTUVFFIZCY-UHFFFAOYSA-N 1 0 244.269 3.210 10 0 BGAERO C[C@H]([NH3+])c1coc2c1c(Cl)ccc2F ZINC000075883069 176778901 /nfs/dbraw/zinc/77/89/01/176778901.db2.gz LRFFWRFGGXJZDR-YFKPBYRVSA-N 1 0 213.639 3.245 10 0 BGAERO Cc1c(Cl)ccc([C@@H]([NH3+])C2CC2)c1F ZINC000075902599 177597363 /nfs/dbraw/zinc/59/73/63/177597363.db2.gz VYHWXQSJCKAWDT-NSHDSACASA-N 1 0 213.683 3.197 10 0 BGAERO FC(F)(F)C1CCC(C2CC[NH2+]CC2)CC1 ZINC000075904799 180879065 /nfs/dbraw/zinc/87/90/65/180879065.db2.gz DCELZMIVAYTEIJ-UHFFFAOYSA-N 1 0 235.293 3.355 10 0 BGAERO [NH3+][C@@H]1C[C@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000075916426 367978682 /nfs/dbraw/zinc/97/86/82/367978682.db2.gz XDICQBYYZUUYPB-UKRRQHHQSA-N 1 0 243.281 3.349 10 0 BGAERO [NH3+][C@H]1C[C@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000075916428 367978827 /nfs/dbraw/zinc/97/88/27/367978827.db2.gz XDICQBYYZUUYPB-DZGCQCFKSA-N 1 0 243.281 3.349 10 0 BGAERO [NH3+][C@@H]1C[C@@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000075916430 367978707 /nfs/dbraw/zinc/97/87/07/367978707.db2.gz XDICQBYYZUUYPB-HIFRSBDPSA-N 1 0 243.281 3.349 10 0 BGAERO [NH3+][C@H]1C[C@@H](c2ccc(F)cc2)Oc2ccccc21 ZINC000075916433 367979148 /nfs/dbraw/zinc/97/91/48/367979148.db2.gz XDICQBYYZUUYPB-ZFWWWQNUSA-N 1 0 243.281 3.349 10 0 BGAERO CC(C)([NH3+])c1cc(Cl)cc(Cl)c1F ZINC000075925426 187279443 /nfs/dbraw/zinc/27/94/43/187279443.db2.gz NZDQFXJBXQNHFK-UHFFFAOYSA-N 1 0 222.090 3.326 10 0 BGAERO [NH3+]C1CCC(c2cc(-c3ccccc3)n[nH]2)CC1 ZINC000075925690 181342532 /nfs/dbraw/zinc/34/25/32/181342532.db2.gz PBBJZODRCRBVCE-UHFFFAOYSA-N 1 0 241.338 3.062 10 0 BGAERO [NH3+]CC1(c2ccc(C(F)(F)F)cc2)CCCC1 ZINC000075932679 181361493 /nfs/dbraw/zinc/36/14/93/181361493.db2.gz LSJPLOGUWZWFMT-UHFFFAOYSA-N 1 0 243.272 3.476 10 0 BGAERO [NH3+]CC1(c2ccccc2C(F)(F)F)CCCC1 ZINC000075932682 181362681 /nfs/dbraw/zinc/36/26/81/181362681.db2.gz ZUANQTUDDXDMOB-UHFFFAOYSA-N 1 0 243.272 3.476 10 0 BGAERO [NH3+]C1(c2ccc(Cl)cc2F)CCCC1 ZINC000075932683 181334173 /nfs/dbraw/zinc/33/41/73/181334173.db2.gz RCJDSJOKUHVGQP-UHFFFAOYSA-N 1 0 213.683 3.207 10 0 BGAERO CCCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000076076098 641790852 /nfs/dbraw/zinc/79/08/52/641790852.db2.gz YBTLPBPPRIRXMW-CVEARBPZSA-N 1 0 247.382 3.375 10 0 BGAERO CCCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccccc1 ZINC000076076100 643069879 /nfs/dbraw/zinc/06/98/79/643069879.db2.gz YBTLPBPPRIRXMW-HOTGVXAUSA-N 1 0 247.382 3.375 10 0 BGAERO c1cc(CCC[NH2+]C2CCCCCC2)ccn1 ZINC000076276812 183336803 /nfs/dbraw/zinc/33/68/03/183336803.db2.gz JOCGPVFBUAWEQG-UHFFFAOYSA-N 1 0 232.371 3.327 10 0 BGAERO c1cncc(CCC[NH2+]C2CCCCCC2)c1 ZINC000076276969 183490183 /nfs/dbraw/zinc/49/01/83/183490183.db2.gz JLYSVVDCBNTKRK-UHFFFAOYSA-N 1 0 232.371 3.327 10 0 BGAERO Cc1ccsc1CCC[NH2+]CC(C)C ZINC000076285946 179539377 /nfs/dbraw/zinc/53/93/77/179539377.db2.gz JMIHUZQQCWEJCK-UHFFFAOYSA-N 1 0 211.374 3.235 10 0 BGAERO CCC[NH2+]CCCc1cccc(OCC)c1 ZINC000076288506 169258052 /nfs/dbraw/zinc/25/80/52/169258052.db2.gz USPVPXQJMDRFRA-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CCC[NH2+]CCCc1ccc(OC(C)C)cc1 ZINC000076289778 169257890 /nfs/dbraw/zinc/25/78/90/169257890.db2.gz AUZZLXARMRGKLH-UHFFFAOYSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+]CCCc1ccc(OCCC)cc1 ZINC000076289894 169258440 /nfs/dbraw/zinc/25/84/40/169258440.db2.gz YAUBASZACLCVJK-UHFFFAOYSA-N 1 0 235.371 3.408 10 0 BGAERO CCC[NH2+]CCCc1cccc(OC(C)C)c1 ZINC000076290011 169258211 /nfs/dbraw/zinc/25/82/11/169258211.db2.gz SUIMQHVLXJWSCW-UHFFFAOYSA-N 1 0 235.371 3.406 10 0 BGAERO CC[NH2+]CCCc1cccc(OC(C)C)c1 ZINC000076290016 170113249 /nfs/dbraw/zinc/11/32/49/170113249.db2.gz XZTKZXODHSHTDS-UHFFFAOYSA-N 1 0 221.344 3.016 10 0 BGAERO CC(C)[NH2+]CCCc1cccc(OC(C)C)c1 ZINC000076290038 167102983 /nfs/dbraw/zinc/10/29/83/167102983.db2.gz KHXIHTWOBLSDCW-UHFFFAOYSA-N 1 0 235.371 3.404 10 0 BGAERO CCC[NH2+]CCCc1ccccc1OCCC ZINC000076290131 169258691 /nfs/dbraw/zinc/25/86/91/169258691.db2.gz DRTIXWMIYYISHP-UHFFFAOYSA-N 1 0 235.371 3.408 10 0 BGAERO CCCOc1ccccc1CCC[NH2+]CC ZINC000076290136 169326622 /nfs/dbraw/zinc/32/66/22/169326622.db2.gz HJQQOFHPIVPJQL-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO CCCOc1ccccc1CCC[NH2+]C(C)C ZINC000076290158 169326606 /nfs/dbraw/zinc/32/66/06/169326606.db2.gz RKTMBYUWJDZCOM-UHFFFAOYSA-N 1 0 235.371 3.406 10 0 BGAERO CCC[NH2+]CCCc1ccccc1OC(C)C ZINC000076290251 169258547 /nfs/dbraw/zinc/25/85/47/169258547.db2.gz WYEXVHAFPJNZDK-UHFFFAOYSA-N 1 0 235.371 3.406 10 0 BGAERO CC[NH2+]CCCc1ccccc1OC(C)C ZINC000076290256 170113901 /nfs/dbraw/zinc/11/39/01/170113901.db2.gz PRUAHISAMSANTH-UHFFFAOYSA-N 1 0 221.344 3.016 10 0 BGAERO CC(C)[NH2+]CCCc1ccccc1OC(C)C ZINC000076290278 167102063 /nfs/dbraw/zinc/10/20/63/167102063.db2.gz PGMFNFUHRONENT-UHFFFAOYSA-N 1 0 235.371 3.404 10 0 BGAERO CCCc1ccc([C@H](CC)CC[NH3+])cc1 ZINC000076583490 169575066 /nfs/dbraw/zinc/57/50/66/169575066.db2.gz RLGLHGQBBHIVKS-CYBMUJFWSA-N 1 0 205.345 3.482 10 0 BGAERO Cc1ccccc1[C@@H](C[NH3+])c1ccccc1 ZINC000076585332 368239816 /nfs/dbraw/zinc/23/98/16/368239816.db2.gz AIBVXIHCUSSENZ-HNNXBMFYSA-N 1 0 211.308 3.086 10 0 BGAERO Cc1ccccc1[C@H](C[NH3+])c1ccccc1 ZINC000076585335 179341378 /nfs/dbraw/zinc/34/13/78/179341378.db2.gz AIBVXIHCUSSENZ-OAHLLOKOSA-N 1 0 211.308 3.086 10 0 BGAERO CC[C@H](C[NH3+])c1ccc(Cl)cc1Cl ZINC000076609365 171430701 /nfs/dbraw/zinc/43/07/01/171430701.db2.gz GCGWCCFRWCZUSG-SSDOTTSWSA-N 1 0 218.127 3.446 10 0 BGAERO CCc1cc([C@@H](CC)CC[NH3+])ccc1OC ZINC000076610860 171773526 /nfs/dbraw/zinc/77/35/26/171773526.db2.gz GABZSNKCVPNFRL-NSHDSACASA-N 1 0 221.344 3.100 10 0 BGAERO CC(C)c1ccc(OC[C@@H](C)CC[NH3+])cc1 ZINC000076610895 167608976 /nfs/dbraw/zinc/60/89/76/167608976.db2.gz QNDXCPOCCUGQIC-LBPRGKRZSA-N 1 0 221.344 3.174 10 0 BGAERO CC(C)c1ccc(OC[C@H](C)CC[NH3+])cc1 ZINC000076610897 167608924 /nfs/dbraw/zinc/60/89/24/167608924.db2.gz QNDXCPOCCUGQIC-GFCCVEGCSA-N 1 0 221.344 3.174 10 0 BGAERO Cc1cccc(C(C[NH3+])c2cccc(C)c2)c1 ZINC000076612047 179029085 /nfs/dbraw/zinc/02/90/85/179029085.db2.gz YBLZLWVKSCVVHI-UHFFFAOYSA-N 1 0 225.335 3.394 10 0 BGAERO CC(C)CC[N@H+](CCN)C1CCCCCC1 ZINC000076612441 166834617 /nfs/dbraw/zinc/83/46/17/166834617.db2.gz KLPGEHKOYSOOJA-UHFFFAOYSA-N 1 0 226.408 3.016 10 0 BGAERO [NH3+]C[C@@H](c1ccco1)c1ccc(Cl)s1 ZINC000076612908 181426515 /nfs/dbraw/zinc/42/65/15/181426515.db2.gz UPYIPRFEXGFTFV-ZETCQYMHSA-N 1 0 227.716 3.085 10 0 BGAERO [NH3+]CC[C@@H](CCc1ccco1)c1ccccc1 ZINC000076613516 181402929 /nfs/dbraw/zinc/40/29/29/181402929.db2.gz CIOHCQLZXZKASZ-CQSZACIVSA-N 1 0 229.323 3.345 10 0 BGAERO [NH3+]C[C@H](c1ccc(Cl)cc1Cl)C1CC1 ZINC000076613660 181453915 /nfs/dbraw/zinc/45/39/15/181453915.db2.gz QPMUSWDMYZIJEF-JTQLQIEISA-N 1 0 230.138 3.446 10 0 BGAERO CCCOc1ccc([C@@H](C[NH3+])C2CCC2)cc1 ZINC000076615468 169320882 /nfs/dbraw/zinc/32/08/82/169320882.db2.gz IIORQJLUXYBFGU-HNNXBMFYSA-N 1 0 233.355 3.318 10 0 BGAERO Cc1cc(C)cc(N(CC[NH3+])CCC(C)C)c1 ZINC000076617412 177905416 /nfs/dbraw/zinc/90/54/16/177905416.db2.gz PEZIQUKTJVGEOQ-UHFFFAOYSA-N 1 0 234.387 3.115 10 0 BGAERO Cc1cccc(C)c1N(CC[NH3+])CCC(C)C ZINC000076617414 179039659 /nfs/dbraw/zinc/03/96/59/179039659.db2.gz NUJIUJPLFSIADM-UHFFFAOYSA-N 1 0 234.387 3.115 10 0 BGAERO Cc1cccc(N(CC[NH3+])CCC(C)C)c1C ZINC000076617419 179119798 /nfs/dbraw/zinc/11/97/98/179119798.db2.gz SDJADDQHOLHTFQ-UHFFFAOYSA-N 1 0 234.387 3.115 10 0 BGAERO CC(C)CN(CC[NH3+])c1ccc(C(C)C)cc1 ZINC000076617427 166955071 /nfs/dbraw/zinc/95/50/71/166955071.db2.gz LECJBNHNEKYONZ-UHFFFAOYSA-N 1 0 234.387 3.231 10 0 BGAERO CCCN(CC[NH3+])c1c(C)cccc1C(C)C ZINC000076617436 169157336 /nfs/dbraw/zinc/15/73/36/169157336.db2.gz YMZPYYNPVITTRA-UHFFFAOYSA-N 1 0 234.387 3.294 10 0 BGAERO CCCN(CC[NH3+])c1ccccc1C(C)(C)C ZINC000076617438 169158417 /nfs/dbraw/zinc/15/84/17/169158417.db2.gz SSXYMCYSLKAIPI-UHFFFAOYSA-N 1 0 234.387 3.159 10 0 BGAERO CCCN(CC[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000076617442 169157809 /nfs/dbraw/zinc/15/78/09/169157809.db2.gz UFZJMFYMPJDPMX-UHFFFAOYSA-N 1 0 234.387 3.159 10 0 BGAERO CCOc1ccc([C@@H](C[NH3+])CC(C)C)cc1C ZINC000076618369 170558649 /nfs/dbraw/zinc/55/86/49/170558649.db2.gz YEZVIEHRSMNZBV-CQSZACIVSA-N 1 0 235.371 3.482 10 0 BGAERO COc1ccc([C@@H](CC[NH3+])CC(C)C)cc1C ZINC000076618417 175178328 /nfs/dbraw/zinc/17/83/28/175178328.db2.gz WUEMYZRMDOIHAD-AWEZNQCLSA-N 1 0 235.371 3.482 10 0 BGAERO COc1ccc([C@H](CC[NH3+])CC(C)C)cc1C ZINC000076618421 188134368 /nfs/dbraw/zinc/13/43/68/188134368.db2.gz WUEMYZRMDOIHAD-CQSZACIVSA-N 1 0 235.371 3.482 10 0 BGAERO C[C@H](CC[NH3+])COc1ccc(C(C)(C)C)cc1 ZINC000076618463 176627049 /nfs/dbraw/zinc/62/70/49/176627049.db2.gz DMCNKRKYYILGAC-GFCCVEGCSA-N 1 0 235.371 3.348 10 0 BGAERO CCOc1ccc([C@@H](C[NH3+])CC(C)C)cc1F ZINC000076621401 170558860 /nfs/dbraw/zinc/55/88/60/170558860.db2.gz ZDDOJQHZCFJPPW-GFCCVEGCSA-N 1 0 239.334 3.313 10 0 BGAERO COc1ccc(F)cc1[C@@H](CC[NH3+])CC(C)C ZINC000076621424 175131977 /nfs/dbraw/zinc/13/19/77/175131977.db2.gz CCCOOYYUABDIME-NSHDSACASA-N 1 0 239.334 3.313 10 0 BGAERO CC(C)CCN(CC[NH3+])c1ccc(Cl)cc1 ZINC000076622999 166834276 /nfs/dbraw/zinc/83/42/76/166834276.db2.gz WIIXUMQDIIENMS-UHFFFAOYSA-N 1 0 240.778 3.151 10 0 BGAERO CCCCN(CC[NH3+])c1cccc(Cl)c1C ZINC000076623011 168810869 /nfs/dbraw/zinc/81/08/69/168810869.db2.gz XDQZEEHRANFUPB-UHFFFAOYSA-N 1 0 240.778 3.214 10 0 BGAERO CCCCN(CC[NH3+])c1ccc(Cl)cc1C ZINC000076623025 168810098 /nfs/dbraw/zinc/81/00/98/168810098.db2.gz DUGGJNAMJSFPFU-UHFFFAOYSA-N 1 0 240.778 3.214 10 0 BGAERO CCCCN(CC[NH3+])c1ccc(C)c(Cl)c1 ZINC000076623034 168810206 /nfs/dbraw/zinc/81/02/06/168810206.db2.gz LVCFBEHCJLCTTG-UHFFFAOYSA-N 1 0 240.778 3.214 10 0 BGAERO CCCOc1ccc([C@@H](C[NH3+])c2ccco2)cc1 ZINC000076628872 169320918 /nfs/dbraw/zinc/32/09/18/169320918.db2.gz QMZVDJQCHPZYRS-CQSZACIVSA-N 1 0 245.322 3.159 10 0 BGAERO CCCOc1ccc([C@H](C[NH3+])c2ccco2)cc1 ZINC000076628880 169322483 /nfs/dbraw/zinc/32/24/83/169322483.db2.gz QMZVDJQCHPZYRS-AWEZNQCLSA-N 1 0 245.322 3.159 10 0 BGAERO CCOc1ccc([C@H](CC[NH3+])c2ccco2)cc1 ZINC000076629006 170562786 /nfs/dbraw/zinc/56/27/86/170562786.db2.gz HFBGHJYNOZMOAG-AWEZNQCLSA-N 1 0 245.322 3.159 10 0 BGAERO Cc1cc([C@H](CC[NH3+])CCc2ccco2)c(C)[nH]1 ZINC000076631866 178261114 /nfs/dbraw/zinc/26/11/14/178261114.db2.gz JLFQIOBHVAXKOU-ZDUSSCGKSA-N 1 0 246.354 3.290 10 0 BGAERO Cc1cc([C@@H](CC[NH3+])CCc2ccco2)c(C)[nH]1 ZINC000076631869 178233974 /nfs/dbraw/zinc/23/39/74/178233974.db2.gz JLFQIOBHVAXKOU-CYBMUJFWSA-N 1 0 246.354 3.290 10 0 BGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccc(C)cc1C ZINC000076634226 169382182 /nfs/dbraw/zinc/38/21/82/169382182.db2.gz OVIWCTQNMRHDCJ-ZDUSSCGKSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1cc(C)ccc1C ZINC000076634239 169381814 /nfs/dbraw/zinc/38/18/14/169381814.db2.gz APGBYRGZURELSA-ZDUSSCGKSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1ccc(C)c(C)c1 ZINC000076634249 169382057 /nfs/dbraw/zinc/38/20/57/169382057.db2.gz FSDCGTYOVJJNTL-ZDUSSCGKSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@H](CC[NH3+])C(=O)Nc1ccc(C)c(C)c1 ZINC000076634253 169497808 /nfs/dbraw/zinc/49/78/08/169497808.db2.gz FSDCGTYOVJJNTL-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1cc(C)cc(C)c1 ZINC000076634262 169381919 /nfs/dbraw/zinc/38/19/19/169381919.db2.gz CYKJLHSCBUDYLX-ZDUSSCGKSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1c(C)cccc1C ZINC000076634274 169381807 /nfs/dbraw/zinc/38/18/07/169381807.db2.gz UNZOUOORCOAUMI-ZDUSSCGKSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](CC[NH3+])C(=O)Nc1cccc(C)c1C ZINC000076634284 169381861 /nfs/dbraw/zinc/38/18/61/169381861.db2.gz IWTPRURECAFKKK-ZDUSSCGKSA-N 1 0 248.370 3.007 10 0 BGAERO CC[C@@H](CC[NH3+])C(=O)Nc1ccccc1C(C)C ZINC000076634316 170816032 /nfs/dbraw/zinc/81/60/32/170816032.db2.gz AICJOONCRUVCQV-LBPRGKRZSA-N 1 0 248.370 3.124 10 0 BGAERO CC[C@H](CC[NH3+])C(=O)Nc1ccc(C(C)C)cc1 ZINC000076634324 188310577 /nfs/dbraw/zinc/31/05/77/188310577.db2.gz KWKKFSZEBUHBPY-GFCCVEGCSA-N 1 0 248.370 3.124 10 0 BGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccc(C)cc1C ZINC000076634433 169383636 /nfs/dbraw/zinc/38/36/36/169383636.db2.gz IZWZHWKUVDWWER-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1cc(C)ccc1C ZINC000076634441 169383467 /nfs/dbraw/zinc/38/34/67/169383467.db2.gz HTEREBRNIVECGV-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1ccc(C)c(C)c1 ZINC000076634453 169383690 /nfs/dbraw/zinc/38/36/90/169383690.db2.gz LVORICPVXJBQFD-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1cc(C)cc(C)c1 ZINC000076634460 169383861 /nfs/dbraw/zinc/38/38/61/169383861.db2.gz JHSSZAGXJUJSRZ-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1c(C)cccc1C ZINC000076634472 169383561 /nfs/dbraw/zinc/38/35/61/169383561.db2.gz ZOIQTIGSIUUREX-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CCC[C@@H](C[NH3+])CC(=O)Nc1cccc(C)c1C ZINC000076634482 169383977 /nfs/dbraw/zinc/38/39/77/169383977.db2.gz RPSQGTFZAFFMNH-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CC[C@@H](C[NH3+])CC(=O)Nc1ccccc1C(C)C ZINC000076634504 170822299 /nfs/dbraw/zinc/82/22/99/170822299.db2.gz FFYVIJRVJSXNPE-GFCCVEGCSA-N 1 0 248.370 3.124 10 0 BGAERO Cc1cccc(C(C)C)c1NC(=O)C[C@@H](C)C[NH3+] ZINC000076634517 187791579 /nfs/dbraw/zinc/79/15/79/187791579.db2.gz XQSYWDUBFYNFMT-LLVKDONJSA-N 1 0 248.370 3.042 10 0 BGAERO Cc1cccc(C(C)C)c1NC(=O)C[C@H](C)C[NH3+] ZINC000076634519 187279939 /nfs/dbraw/zinc/27/99/39/187279939.db2.gz XQSYWDUBFYNFMT-NSHDSACASA-N 1 0 248.370 3.042 10 0 BGAERO CC[C@H](CCC[NH3+])C(=O)Nc1ccc(C)cc1C ZINC000076634596 188310773 /nfs/dbraw/zinc/31/07/73/188310773.db2.gz UGCPVUDVJKYZNZ-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CC[C@H](CCC[NH3+])C(=O)Nc1cc(C)cc(C)c1 ZINC000076634607 188134254 /nfs/dbraw/zinc/13/42/54/188134254.db2.gz VORAZDILHJMVBR-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CC[C@@H](CCC[NH3+])C(=O)Nc1c(C)cccc1C ZINC000076634609 170816095 /nfs/dbraw/zinc/81/60/95/170816095.db2.gz FMVMWLPVFVCTJN-ZDUSSCGKSA-N 1 0 248.370 3.007 10 0 BGAERO CC[C@H](CCC[NH3+])C(=O)Nc1c(C)cccc1C ZINC000076634611 187965516 /nfs/dbraw/zinc/96/55/16/187965516.db2.gz FMVMWLPVFVCTJN-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CC(C)c1ccccc1NC(=O)[C@@H](C)CCC[NH3+] ZINC000076634623 188310390 /nfs/dbraw/zinc/31/03/90/188310390.db2.gz ASWQLTWAZDSVTN-LBPRGKRZSA-N 1 0 248.370 3.124 10 0 BGAERO CC(C)c1ccc(NC(=O)[C@H](C)CCC[NH3+])cc1 ZINC000076634630 167604099 /nfs/dbraw/zinc/60/40/99/167604099.db2.gz QJFCJAIFIRPFFA-GFCCVEGCSA-N 1 0 248.370 3.124 10 0 BGAERO CC[C@@H](C[NH3+])CCC(=O)Nc1ccc(C)cc1C ZINC000076634718 170822357 /nfs/dbraw/zinc/82/23/57/170822357.db2.gz MWOKTJXTIWVYBV-CYBMUJFWSA-N 1 0 248.370 3.007 10 0 BGAERO CC(C)c1ccccc1NC(=O)CC[C@@H](C)C[NH3+] ZINC000076634748 187964966 /nfs/dbraw/zinc/96/49/66/187964966.db2.gz SMAIBUQUTJLWAD-GFCCVEGCSA-N 1 0 248.370 3.124 10 0 BGAERO CC[C@H](C)[N@H+](CCN)Cc1c(C)cc(C)cc1C ZINC000076634974 171313134 /nfs/dbraw/zinc/31/31/34/171313134.db2.gz WPSPYRMZEIMFQP-HNNXBMFYSA-N 1 0 248.414 3.171 10 0 BGAERO Cc1cc(C)c(N(CC[NH3+])CCC(C)C)c(C)c1 ZINC000076634980 177864541 /nfs/dbraw/zinc/86/45/41/177864541.db2.gz FPMVWIXWVWHFQN-UHFFFAOYSA-N 1 0 248.414 3.423 10 0 BGAERO c1ccc(CC[C@@H]2CCCC[NH2+]C2)cc1 ZINC000076638891 183395475 /nfs/dbraw/zinc/39/54/75/183395475.db2.gz VSPHXMKLPRYCKQ-AWEZNQCLSA-N 1 0 203.329 3.009 10 0 BGAERO c1ccc(CC[C@H]2CCCC[NH2+]C2)cc1 ZINC000076638893 183395377 /nfs/dbraw/zinc/39/53/77/183395377.db2.gz VSPHXMKLPRYCKQ-CQSZACIVSA-N 1 0 203.329 3.009 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000076642728 168002700 /nfs/dbraw/zinc/00/27/00/168002700.db2.gz BSKOALQAQMKQKG-MNOVXSKESA-N 1 0 209.720 3.038 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000076642732 168005205 /nfs/dbraw/zinc/00/52/05/168005205.db2.gz BSKOALQAQMKQKG-GHMZBOCLSA-N 1 0 209.720 3.038 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000076642740 168003199 /nfs/dbraw/zinc/00/31/99/168003199.db2.gz UMIGMWBIEAKZFJ-MNOVXSKESA-N 1 0 209.720 3.038 10 0 BGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000076642743 167995486 /nfs/dbraw/zinc/99/54/86/167995486.db2.gz UMIGMWBIEAKZFJ-QWRGUYRKSA-N 1 0 209.720 3.038 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000076642745 168004524 /nfs/dbraw/zinc/00/45/24/168004524.db2.gz UMIGMWBIEAKZFJ-GHMZBOCLSA-N 1 0 209.720 3.038 10 0 BGAERO CCc1ccc(C[C@H]2CCC[NH2+]CC2)cc1 ZINC000076646560 171815183 /nfs/dbraw/zinc/81/51/83/171815183.db2.gz PSABSHYEBFTZPP-AWEZNQCLSA-N 1 0 217.356 3.181 10 0 BGAERO Fc1ccc(Cl)c(C[C@H]2CCCC[NH2+]2)c1 ZINC000076675539 180972437 /nfs/dbraw/zinc/97/24/37/180972437.db2.gz BTAPURQUTDEBEB-LLVKDONJSA-N 1 0 227.710 3.164 10 0 BGAERO c1[nH]c2ccccc2c1CC[C@@H]1CCC[NH2+]C1 ZINC000076675807 410061899 /nfs/dbraw/zinc/06/18/99/410061899.db2.gz MFCNTWPTEPRQDX-LBPRGKRZSA-N 1 0 228.339 3.100 10 0 BGAERO c1[nH]c2ccccc2c1CC[C@H]1CCC[NH2+]C1 ZINC000076675811 183437493 /nfs/dbraw/zinc/43/74/93/183437493.db2.gz MFCNTWPTEPRQDX-GFCCVEGCSA-N 1 0 228.339 3.100 10 0 BGAERO CCC(CC)[NH2+]Cc1cn(C)c2ccccc12 ZINC000076677876 168389678 /nfs/dbraw/zinc/38/96/78/168389678.db2.gz JTVRIRQBQHRJMV-UHFFFAOYSA-N 1 0 230.355 3.457 10 0 BGAERO COc1ccc(CC[C@@H]2CCCC[NH2+]C2)cc1 ZINC000076680312 175093340 /nfs/dbraw/zinc/09/33/40/175093340.db2.gz ZSBFZTAEBMLHFC-AWEZNQCLSA-N 1 0 233.355 3.018 10 0 BGAERO COc1ccc(CC[C@H]2CCCC[NH2+]C2)cc1 ZINC000076680314 175093915 /nfs/dbraw/zinc/09/39/15/175093915.db2.gz ZSBFZTAEBMLHFC-CQSZACIVSA-N 1 0 233.355 3.018 10 0 BGAERO COc1ccc(CC[C@@H]2CCC[NH2+]CC2)cc1 ZINC000076680317 175093573 /nfs/dbraw/zinc/09/35/73/175093573.db2.gz LTYVGPWZUICOEP-ZDUSSCGKSA-N 1 0 233.355 3.018 10 0 BGAERO COc1ccc(CC[C@H]2CCC[NH2+]CC2)cc1 ZINC000076680319 175093373 /nfs/dbraw/zinc/09/33/73/175093373.db2.gz LTYVGPWZUICOEP-CYBMUJFWSA-N 1 0 233.355 3.018 10 0 BGAERO C[N@@H+]1CCC[C@H](Nc2ccc(Cl)cc2)CC1 ZINC000076684601 173045886 /nfs/dbraw/zinc/04/58/86/173045886.db2.gz VUPHGQKDOCOBMQ-LBPRGKRZSA-N 1 0 238.762 3.236 10 0 BGAERO C[N@@H+]1CCC[C@@H](Nc2ccc(Cl)cc2)CC1 ZINC000076684604 173021057 /nfs/dbraw/zinc/02/10/57/173021057.db2.gz VUPHGQKDOCOBMQ-GFCCVEGCSA-N 1 0 238.762 3.236 10 0 BGAERO C[N@@H+]1CCC[C@H](Nc2ccccc2Cl)CC1 ZINC000076684612 173046608 /nfs/dbraw/zinc/04/66/08/173046608.db2.gz VTJNBIGJOXVZOR-NSHDSACASA-N 1 0 238.762 3.236 10 0 BGAERO C[N@@H+]1CCC[C@@H](Nc2ccccc2Cl)CC1 ZINC000076684614 173021955 /nfs/dbraw/zinc/02/19/55/173021955.db2.gz VTJNBIGJOXVZOR-LLVKDONJSA-N 1 0 238.762 3.236 10 0 BGAERO [NH3+]CC1CCC(Oc2cccc(Cl)c2)CC1 ZINC000076685310 181363829 /nfs/dbraw/zinc/36/38/29/181363829.db2.gz OPGOWLNMNZQGJD-UHFFFAOYSA-N 1 0 239.746 3.236 10 0 BGAERO Fc1cccc(Cl)c1C[C@H]1CCCC[NH2+]C1 ZINC000076686502 180998942 /nfs/dbraw/zinc/99/89/42/180998942.db2.gz FSUWAYXFPWUOKK-SNVBAGLBSA-N 1 0 241.737 3.411 10 0 BGAERO c1cc(C[NH2+]C2CCSCC2)cc2c1CCC2 ZINC000076692189 183368470 /nfs/dbraw/zinc/36/84/70/183368470.db2.gz SOJNRUWRPWKQDL-UHFFFAOYSA-N 1 0 247.407 3.161 10 0 BGAERO CCC[NH2+][C@@H](C)c1csc(-c2ccco2)n1 ZINC000076732090 169276981 /nfs/dbraw/zinc/27/69/81/169276981.db2.gz XFDPWIOUGOFJFT-VIFPVBQESA-N 1 0 236.340 3.464 10 0 BGAERO CCC[NH2+][C@H](C)c1csc(-c2ccco2)n1 ZINC000076732093 169288113 /nfs/dbraw/zinc/28/81/13/169288113.db2.gz XFDPWIOUGOFJFT-SECBINFHSA-N 1 0 236.340 3.464 10 0 BGAERO CC[NH2+]CCc1csc(-c2cccc(C)c2)n1 ZINC000076783232 170118456 /nfs/dbraw/zinc/11/84/56/170118456.db2.gz ZZQBDWPBEVWVLG-UHFFFAOYSA-N 1 0 246.379 3.271 10 0 BGAERO CC[NH2+]CCc1csc(-c2ccccc2C)n1 ZINC000076783238 170118417 /nfs/dbraw/zinc/11/84/17/170118417.db2.gz HVIVTERFJNMCPC-UHFFFAOYSA-N 1 0 246.379 3.271 10 0 BGAERO CC[NH2+]CCc1csc(-c2ccc(C)cc2)n1 ZINC000076783241 170118156 /nfs/dbraw/zinc/11/81/56/170118156.db2.gz BKYDUTJQMVHVLG-UHFFFAOYSA-N 1 0 246.379 3.271 10 0 BGAERO CC[NH2+]CCc1csc(C2CCCCC2)n1 ZINC000076783317 170118443 /nfs/dbraw/zinc/11/84/43/170118443.db2.gz GPZILOPNJHVMRK-UHFFFAOYSA-N 1 0 238.400 3.343 10 0 BGAERO CC[NH2+]CCc1csc(-c2cccs2)n1 ZINC000076783321 170118468 /nfs/dbraw/zinc/11/84/68/170118468.db2.gz BXZCEVUSGKQSQP-UHFFFAOYSA-N 1 0 238.381 3.024 10 0 BGAERO CCC[NH2+]CCc1csc(-c2ccccc2)n1 ZINC000076783358 169261273 /nfs/dbraw/zinc/26/12/73/169261273.db2.gz LTNKPOPLZDPZKJ-UHFFFAOYSA-N 1 0 246.379 3.352 10 0 BGAERO CC[NH2+][C@@H](C)Cc1csc(-c2ccccc2)n1 ZINC000076783655 170140011 /nfs/dbraw/zinc/14/00/11/170140011.db2.gz GNANBCWUJCPLTG-NSHDSACASA-N 1 0 246.379 3.351 10 0 BGAERO CC[NH2+][C@H](C)Cc1csc(-c2ccccc2)n1 ZINC000076783656 170158536 /nfs/dbraw/zinc/15/85/36/170158536.db2.gz GNANBCWUJCPLTG-LLVKDONJSA-N 1 0 246.379 3.351 10 0 BGAERO CCC[NH2+][C@@H](C)c1csc(-c2ccccn2)n1 ZINC000076784283 169277378 /nfs/dbraw/zinc/27/73/78/169277378.db2.gz UDNLBDLLJRVSDR-JTQLQIEISA-N 1 0 247.367 3.266 10 0 BGAERO CCC[NH2+][C@H](C)c1csc(-c2ccccn2)n1 ZINC000076784285 169288325 /nfs/dbraw/zinc/28/83/25/169288325.db2.gz UDNLBDLLJRVSDR-SNVBAGLBSA-N 1 0 247.367 3.266 10 0 BGAERO CCC[NH2+][C@@H](C)c1csc(-c2cccnc2)n1 ZINC000076784286 169277111 /nfs/dbraw/zinc/27/71/11/169277111.db2.gz UFIDSYBVGQGSLD-JTQLQIEISA-N 1 0 247.367 3.266 10 0 BGAERO CCC[NH2+][C@H](C)c1csc(-c2cccnc2)n1 ZINC000076784289 169288591 /nfs/dbraw/zinc/28/85/91/169288591.db2.gz UFIDSYBVGQGSLD-SNVBAGLBSA-N 1 0 247.367 3.266 10 0 BGAERO CCC[NH2+][C@@H](C)c1csc(-c2ccncc2)n1 ZINC000076784292 169276683 /nfs/dbraw/zinc/27/66/83/169276683.db2.gz CJGBOFQLXQGOIG-JTQLQIEISA-N 1 0 247.367 3.266 10 0 BGAERO CCC[NH2+][C@H](C)c1csc(-c2ccncc2)n1 ZINC000076784294 169288149 /nfs/dbraw/zinc/28/81/49/169288149.db2.gz CJGBOFQLXQGOIG-SNVBAGLBSA-N 1 0 247.367 3.266 10 0 BGAERO CC[NH2+][C@@H](C)c1csc(Cc2ccccc2)n1 ZINC000076784511 170143397 /nfs/dbraw/zinc/14/33/97/170143397.db2.gz BQTPUUNJIDFBCC-NSHDSACASA-N 1 0 246.379 3.404 10 0 BGAERO CC[NH2+][C@H](C)c1csc(Cc2ccccc2)n1 ZINC000076784513 170159865 /nfs/dbraw/zinc/15/98/65/170159865.db2.gz BQTPUUNJIDFBCC-LLVKDONJSA-N 1 0 246.379 3.404 10 0 BGAERO CC[NH2+]Cc1csc(N(C)c2ccccc2)n1 ZINC000076786396 170130064 /nfs/dbraw/zinc/13/00/64/170130064.db2.gz UUWFDBSRGJVDRK-UHFFFAOYSA-N 1 0 247.367 3.021 10 0 BGAERO CCC[NH2+]Cc1oc2ccccc2c1C ZINC000077067913 169268983 /nfs/dbraw/zinc/26/89/83/169268983.db2.gz YVIFTGCXUKISMF-UHFFFAOYSA-N 1 0 203.285 3.241 10 0 BGAERO CC[NH2+]Cc1oc2ccccc2c1CC ZINC000077067965 170132438 /nfs/dbraw/zinc/13/24/38/170132438.db2.gz SNLAAHXKEIARHW-UHFFFAOYSA-N 1 0 203.285 3.105 10 0 BGAERO CCC[NH2+]Cc1oc2ccccc2c1CC ZINC000077067967 169268939 /nfs/dbraw/zinc/26/89/39/169268939.db2.gz FPRXCOIDBOSXCK-UHFFFAOYSA-N 1 0 217.312 3.495 10 0 BGAERO C[NH2+]Cc1oc2ccccc2c1C(C)C ZINC000077068050 173399353 /nfs/dbraw/zinc/39/93/53/173399353.db2.gz TVHHWDCBDLCPAJ-UHFFFAOYSA-N 1 0 203.285 3.276 10 0 BGAERO CCCc1c2ccccc2oc1C[NH2+]C ZINC000077068124 169561483 /nfs/dbraw/zinc/56/14/83/169561483.db2.gz DSEYSGDKYQWEHI-UHFFFAOYSA-N 1 0 203.285 3.105 10 0 BGAERO C[NH2+]Cc1oc2ccccc2c1C(C)(C)C ZINC000077068198 173399603 /nfs/dbraw/zinc/39/96/03/173399603.db2.gz WGFPOVJUUIIWED-UHFFFAOYSA-N 1 0 217.312 3.450 10 0 BGAERO CC(C)(C)c1c2ccccc2oc1C[NH3+] ZINC000077068216 188290262 /nfs/dbraw/zinc/29/02/62/188290262.db2.gz UGJWQQNJCJQIOR-UHFFFAOYSA-N 1 0 203.285 3.189 10 0 BGAERO CC[NH2+]Cc1oc2ccccc2c1C1CC1 ZINC000077068300 170133002 /nfs/dbraw/zinc/13/30/02/170133002.db2.gz HNWKKRBQYRIDKI-UHFFFAOYSA-N 1 0 215.296 3.420 10 0 BGAERO CCC[NH2+]Cc1oc2c(cccc2C)c1COC ZINC000077068436 169269676 /nfs/dbraw/zinc/26/96/76/169269676.db2.gz CTTYEIQIYFBVKI-UHFFFAOYSA-N 1 0 247.338 3.387 10 0 BGAERO CC[NH2+]Cc1oc2c(cccc2C)c1C ZINC000077068489 170131628 /nfs/dbraw/zinc/13/16/28/170131628.db2.gz UHQQJERSSYJRSG-UHFFFAOYSA-N 1 0 203.285 3.159 10 0 BGAERO CC[NH2+]Cc1oc2c(cccc2C)c1CC ZINC000077068578 170132239 /nfs/dbraw/zinc/13/22/39/170132239.db2.gz JCJWRPFYDAQPBE-UHFFFAOYSA-N 1 0 217.312 3.413 10 0 BGAERO Cc1cccc2c1oc(C[NH3+])c2C(C)C ZINC000077068669 179209830 /nfs/dbraw/zinc/20/98/30/179209830.db2.gz VUZVYGYZZHHCRO-UHFFFAOYSA-N 1 0 203.285 3.323 10 0 BGAERO Cc1cccc2c1oc(C[NH3+])c2C(C)(C)C ZINC000077068726 179209666 /nfs/dbraw/zinc/20/96/66/179209666.db2.gz QIZOOOKZZIOJHZ-UHFFFAOYSA-N 1 0 217.312 3.497 10 0 BGAERO Cc1cccc2c1oc(C[NH3+])c2C1CC1 ZINC000077068828 179209345 /nfs/dbraw/zinc/20/93/45/179209345.db2.gz TZKDCLZJIKNWTQ-UHFFFAOYSA-N 1 0 201.269 3.077 10 0 BGAERO CCc1c2cccc(Cl)c2oc1C[NH3+] ZINC000077069101 171743385 /nfs/dbraw/zinc/74/33/85/171743385.db2.gz PKPXHYNDAVWEMF-UHFFFAOYSA-N 1 0 209.676 3.107 10 0 BGAERO CCC[NH2+]Cc1oc2ccc(C)cc2c1COC ZINC000077069237 169269998 /nfs/dbraw/zinc/26/99/98/169269998.db2.gz FBCLGNVRSBQDKA-UHFFFAOYSA-N 1 0 247.338 3.387 10 0 BGAERO COCc1c2cc(C)ccc2oc1C[NH2+]C1CC1 ZINC000077069238 174617455 /nfs/dbraw/zinc/61/74/55/174617455.db2.gz VRBTUOKMQPWJRQ-UHFFFAOYSA-N 1 0 245.322 3.140 10 0 BGAERO CC[NH2+]Cc1oc2ccc(C)cc2c1C ZINC000077069289 170131966 /nfs/dbraw/zinc/13/19/66/170131966.db2.gz NRBIEQZMONVTGD-UHFFFAOYSA-N 1 0 203.285 3.159 10 0 BGAERO CC[NH2+]Cc1oc2ccc(C)cc2c1CC ZINC000077069355 170131755 /nfs/dbraw/zinc/13/17/55/170131755.db2.gz YJUFRFHEICTKGI-UHFFFAOYSA-N 1 0 217.312 3.413 10 0 BGAERO C[NH2+]Cc1oc2ccc(C)cc2c1C1CC1 ZINC000077069537 173399880 /nfs/dbraw/zinc/39/98/80/173399880.db2.gz RWJCMMKMRGELKK-UHFFFAOYSA-N 1 0 215.296 3.338 10 0 BGAERO C[NH2+]Cc1oc2c(ccc(C)c2C)c1C ZINC000077070059 173399559 /nfs/dbraw/zinc/39/95/59/173399559.db2.gz FQRSBSDBWWHSBM-UHFFFAOYSA-N 1 0 203.285 3.077 10 0 BGAERO CC[NH2+]Cc1oc2c(ccc(C)c2C)c1C ZINC000077070060 170131732 /nfs/dbraw/zinc/13/17/32/170131732.db2.gz JPVYFFHNRHJUPF-UHFFFAOYSA-N 1 0 217.312 3.468 10 0 BGAERO CC[NH2+]Cc1oc2c(ccc(C)c2C)c1COC ZINC000077070383 170132008 /nfs/dbraw/zinc/13/20/08/170132008.db2.gz UUZFDGDOPLDYBX-UHFFFAOYSA-N 1 0 247.338 3.306 10 0 BGAERO CC[NH2+]Cc1oc2ccc(CC)cc2c1C ZINC000077070424 170132125 /nfs/dbraw/zinc/13/21/25/170132125.db2.gz AJXMLKWCSONRHH-UHFFFAOYSA-N 1 0 217.312 3.413 10 0 BGAERO CC[NH2+]Cc1oc2ccc(CC)cc2c1COC ZINC000077070744 170132064 /nfs/dbraw/zinc/13/20/64/170132064.db2.gz NZWBWIXZOVOBIO-UHFFFAOYSA-N 1 0 247.338 3.251 10 0 BGAERO CC[NH2+]Cc1oc2c(cc(C)cc2C)c1C ZINC000077070786 170131586 /nfs/dbraw/zinc/13/15/86/170131586.db2.gz VLOCJHWITWHQNX-UHFFFAOYSA-N 1 0 217.312 3.468 10 0 BGAERO CC[NH2+]Cc1oc2c(cc(C)cc2C)c1COC ZINC000077071097 170131943 /nfs/dbraw/zinc/13/19/43/170131943.db2.gz HLORLKFITQMWRU-UHFFFAOYSA-N 1 0 247.338 3.306 10 0 BGAERO CC[NH2+]Cc1oc2cc(C)cc(C)c2c1C ZINC000077071140 170132143 /nfs/dbraw/zinc/13/21/43/170132143.db2.gz LUQJMJVCSABLOG-UHFFFAOYSA-N 1 0 217.312 3.468 10 0 BGAERO CC[NH2+]Cc1oc2cc(C)cc(C)c2c1COC ZINC000077071477 170131264 /nfs/dbraw/zinc/13/12/64/170131264.db2.gz IUAGAMSFHJBNSV-UHFFFAOYSA-N 1 0 247.338 3.306 10 0 BGAERO CC(C)(C)c1cc(C[NH3+])c(C(C)(C)C)o1 ZINC000077084557 566283597 /nfs/dbraw/zinc/28/35/97/566283597.db2.gz RHHKDRHVYIFQML-UHFFFAOYSA-N 1 0 209.333 3.333 10 0 BGAERO COc1ccc([C@H]([NH3+])c2c(C)oc(C)c2C)cc1 ZINC000077088659 175192930 /nfs/dbraw/zinc/19/29/30/175192930.db2.gz AGAJLIWXOBTVNF-HNNXBMFYSA-N 1 0 245.322 3.262 10 0 BGAERO CCC1CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000077205485 325369413 /nfs/dbraw/zinc/36/94/13/325369413.db2.gz DJAOVJUKWGJILA-SHWKFHJASA-N 1 0 239.403 3.096 10 0 BGAERO CCC1CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000077205490 323224419 /nfs/dbraw/zinc/22/44/19/323224419.db2.gz DJAOVJUKWGJILA-HXSCFSKGSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCC([NH2+]C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000077205994 135059466 /nfs/dbraw/zinc/05/94/66/135059466.db2.gz MLKDZJKBWGVCFE-JSGCOSHPSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCC([NH2+]C[C@H]2CCCC[C@H]2O)CC1 ZINC000077205997 384787459 /nfs/dbraw/zinc/78/74/59/384787459.db2.gz MLKDZJKBWGVCFE-TZMCWYRMSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@H]1CC[NH2+][C@@H](c2ccc(F)c(F)c2)CC1 ZINC000077291562 177175847 /nfs/dbraw/zinc/17/58/47/177175847.db2.gz VSOCWRVMRKBDKV-NOZJJQNGSA-N 1 0 225.282 3.416 10 0 in-vitro BGAERO C[C@@H]1CC[NH2+][C@@H](c2ccc(F)c(F)c2)CC1 ZINC000077291567 176185955 /nfs/dbraw/zinc/18/59/55/176185955.db2.gz VSOCWRVMRKBDKV-TVQRCGJNSA-N 1 0 225.282 3.416 10 0 in-vitro BGAERO C[C@H]1CC[NH2+][C@H](c2ccc(F)c(F)c2)CC1 ZINC000077291569 177176129 /nfs/dbraw/zinc/17/61/29/177176129.db2.gz VSOCWRVMRKBDKV-RNCFNFMXSA-N 1 0 225.282 3.416 10 0 in-vitro BGAERO C[C@@H]1CC[NH2+][C@H](c2ccc(F)c(F)c2)CC1 ZINC000077291571 176187397 /nfs/dbraw/zinc/18/73/97/176187397.db2.gz VSOCWRVMRKBDKV-ZANVPECISA-N 1 0 225.282 3.416 10 0 in-vitro BGAERO C[C@H]1CC[NH2+][C@@H](c2ccc(F)cc2)CC1 ZINC000077292722 177175767 /nfs/dbraw/zinc/17/57/67/177175767.db2.gz YQVYRLMCXGXNFO-ZWNOBZJWSA-N 1 0 207.292 3.276 10 0 in-vitro BGAERO C[C@@H]1CC[NH2+][C@@H](c2ccc(F)cc2)CC1 ZINC000077292724 176186289 /nfs/dbraw/zinc/18/62/89/176186289.db2.gz YQVYRLMCXGXNFO-GXFFZTMASA-N 1 0 207.292 3.276 10 0 in-vitro BGAERO C[C@H]1CC[NH2+][C@H](c2ccc(F)cc2)CC1 ZINC000077292726 177176155 /nfs/dbraw/zinc/17/61/55/177176155.db2.gz YQVYRLMCXGXNFO-MFKMUULPSA-N 1 0 207.292 3.276 10 0 in-vitro BGAERO C[C@@H]1CC[NH2+][C@H](c2ccc(F)cc2)CC1 ZINC000077292729 176186905 /nfs/dbraw/zinc/18/69/05/176186905.db2.gz YQVYRLMCXGXNFO-GWCFXTLKSA-N 1 0 207.292 3.276 10 0 in-vitro BGAERO FC(F)(F)[C@@H]1CC[NH2+][C@H](c2cccnc2)CC1 ZINC000077293136 388615559 /nfs/dbraw/zinc/61/55/59/388615559.db2.gz PGTSWWAAQOMZAR-QWRGUYRKSA-N 1 0 244.260 3.075 10 0 in-vitro BGAERO FC(F)(F)[C@@H]1CC[NH2+][C@@H](c2cccnc2)CC1 ZINC000077293138 398095041 /nfs/dbraw/zinc/09/50/41/398095041.db2.gz PGTSWWAAQOMZAR-WDEREUQCSA-N 1 0 244.260 3.075 10 0 in-vitro BGAERO FC(F)(F)[C@H]1CC[NH2+][C@H](c2cccnc2)CC1 ZINC000077293143 398095064 /nfs/dbraw/zinc/09/50/64/398095064.db2.gz PGTSWWAAQOMZAR-MNOVXSKESA-N 1 0 244.260 3.075 10 0 in-vitro BGAERO FC(F)(F)[C@H]1CC[NH2+][C@@H](c2cccnc2)CC1 ZINC000077293145 180890331 /nfs/dbraw/zinc/89/03/31/180890331.db2.gz PGTSWWAAQOMZAR-GHMZBOCLSA-N 1 0 244.260 3.075 10 0 in-vitro BGAERO CC(C)c1ccc([C@]2(C[NH3+])C[C@H]2C)cc1 ZINC000077297592 167621886 /nfs/dbraw/zinc/62/18/86/167621886.db2.gz TYVHDMPJAVOJKV-RISCZKNCSA-N 1 0 203.329 3.046 10 0 BGAERO Cc1ccccc1C1(C[NH3+])CC(C)(C)C1 ZINC000077297600 179255463 /nfs/dbraw/zinc/25/54/63/179255463.db2.gz ALTNDKGGKYVTIA-UHFFFAOYSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1cccc(C2(C[NH3+])CC(C)(C)C2)c1 ZINC000077297601 179050626 /nfs/dbraw/zinc/05/06/26/179050626.db2.gz AKDQPDNTYDLKMT-UHFFFAOYSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1ccccc1[C@]1(C[NH3+])CCC[C@@H]1C ZINC000077297607 179350674 /nfs/dbraw/zinc/35/06/74/179350674.db2.gz KBMZKOQFHXUIEO-JSGCOSHPSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1ccccc1[C@@]1(C[NH3+])CCC[C@@H]1C ZINC000077297608 179332512 /nfs/dbraw/zinc/33/25/12/179332512.db2.gz KBMZKOQFHXUIEO-GXTWGEPZSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1ccccc1[C@]1(C[NH3+])CCC[C@H]1C ZINC000077297609 179350776 /nfs/dbraw/zinc/35/07/76/179350776.db2.gz KBMZKOQFHXUIEO-OCCSQVGLSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1ccccc1[C@@]1(C[NH3+])CCC[C@H]1C ZINC000077297610 179333221 /nfs/dbraw/zinc/33/32/21/179333221.db2.gz KBMZKOQFHXUIEO-TZMCWYRMSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1cccc([C@]2(C[NH3+])CCC[C@@H]2C)c1 ZINC000077297611 179205197 /nfs/dbraw/zinc/20/51/97/179205197.db2.gz MLCWBITVQRBCQR-JSGCOSHPSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1cccc([C@@]2(C[NH3+])CCC[C@@H]2C)c1 ZINC000077297612 179191548 /nfs/dbraw/zinc/19/15/48/179191548.db2.gz MLCWBITVQRBCQR-GXTWGEPZSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1cccc([C@]2(C[NH3+])CCC[C@H]2C)c1 ZINC000077297613 179205763 /nfs/dbraw/zinc/20/57/63/179205763.db2.gz MLCWBITVQRBCQR-OCCSQVGLSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1cccc([C@@]2(C[NH3+])CCC[C@H]2C)c1 ZINC000077297614 179191576 /nfs/dbraw/zinc/19/15/76/179191576.db2.gz MLCWBITVQRBCQR-TZMCWYRMSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1ccc([C@]2(C[NH3+])CCC[C@@H]2C)cc1 ZINC000077297615 178926991 /nfs/dbraw/zinc/92/69/91/178926991.db2.gz LRXRRIFQYCQIPS-JSGCOSHPSA-N 1 0 203.329 3.012 10 0 BGAERO Cc1ccc([C@]2(C[NH3+])CCC[C@H]2C)cc1 ZINC000077297617 178927261 /nfs/dbraw/zinc/92/72/61/178927261.db2.gz LRXRRIFQYCQIPS-OCCSQVGLSA-N 1 0 203.329 3.012 10 0 BGAERO CC1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000077297631 168152771 /nfs/dbraw/zinc/15/27/71/168152771.db2.gz BXOHPXLDQHEHDA-UHFFFAOYSA-N 1 0 203.329 3.093 10 0 BGAERO Cc1cc(C)c([C@@H]2CC[C@H]([NH3+])C2)cc1C ZINC000077297649 177873616 /nfs/dbraw/zinc/87/36/16/177873616.db2.gz VKSABURDTUUHEN-OLZOCXBDSA-N 1 0 203.329 3.207 10 0 BGAERO Cc1cc(C)c([C@H]2CC[C@H]([NH3+])C2)cc1C ZINC000077297650 177875874 /nfs/dbraw/zinc/87/58/74/177875874.db2.gz VKSABURDTUUHEN-STQMWFEESA-N 1 0 203.329 3.207 10 0 BGAERO Cc1cc(C)c([C@H]2CC[C@@H]([NH3+])C2)cc1C ZINC000077297652 177875930 /nfs/dbraw/zinc/87/59/30/177875930.db2.gz VKSABURDTUUHEN-QWHCGFSZSA-N 1 0 203.329 3.207 10 0 BGAERO Cc1ccccc1[C@@H](C)CC[NH2+]C1CC1 ZINC000077297655 179318032 /nfs/dbraw/zinc/31/80/32/179318032.db2.gz ZUPCGCOEWGFPPM-LBPRGKRZSA-N 1 0 203.329 3.241 10 0 BGAERO Cc1ccccc1[C@H](C)CC[NH2+]C1CC1 ZINC000077297656 179334249 /nfs/dbraw/zinc/33/42/49/179334249.db2.gz ZUPCGCOEWGFPPM-GFCCVEGCSA-N 1 0 203.329 3.241 10 0 BGAERO Cc1cccc([C@@H](C)CC[NH2+]C2CC2)c1 ZINC000077297657 179178927 /nfs/dbraw/zinc/17/89/27/179178927.db2.gz MMKDUJZTBLHXHN-LBPRGKRZSA-N 1 0 203.329 3.241 10 0 BGAERO Cc1cccc([C@H](C)CC[NH2+]C2CC2)c1 ZINC000077297658 179193736 /nfs/dbraw/zinc/19/37/36/179193736.db2.gz MMKDUJZTBLHXHN-GFCCVEGCSA-N 1 0 203.329 3.241 10 0 BGAERO C/C(=C\C[NH3+])c1ccc(C(C)(C)C)cc1 ZINC000077297659 188135551 /nfs/dbraw/zinc/13/55/51/188135551.db2.gz URWWFKAAHOEOGB-PKNBQFBNSA-N 1 0 203.329 3.346 10 0 BGAERO Cc1ccc(CCC(C)(C)C[NH3+])cc1C ZINC000077299204 178527048 /nfs/dbraw/zinc/52/70/48/178527048.db2.gz YZUZMMNYAODXCP-UHFFFAOYSA-N 1 0 205.345 3.221 10 0 BGAERO C[C@@H](CC[NH2+]C1CC1)c1ccccc1F ZINC000077300731 175675263 /nfs/dbraw/zinc/67/52/63/175675263.db2.gz XCLLZRCPUXSJND-JTQLQIEISA-N 1 0 207.292 3.071 10 0 BGAERO CSc1ccc([C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000077301059 175578243 /nfs/dbraw/zinc/57/82/43/175578243.db2.gz OMEAYLCKHJRMOZ-MNOVXSKESA-N 1 0 207.342 3.003 10 0 BGAERO CSc1ccc([C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000077301062 175578686 /nfs/dbraw/zinc/57/86/86/175578686.db2.gz OMEAYLCKHJRMOZ-GHMZBOCLSA-N 1 0 207.342 3.003 10 0 BGAERO CC1CCC(C[NH3+])(c2cccs2)CC1 ZINC000077303687 168154385 /nfs/dbraw/zinc/15/43/85/168154385.db2.gz RXUROEUSNJUKMD-UHFFFAOYSA-N 1 0 209.358 3.155 10 0 BGAERO Cc1ccc(SC[C@H]([NH3+])C(C)C)cc1 ZINC000077303689 178828460 /nfs/dbraw/zinc/82/84/60/178828460.db2.gz ZKLQZRVAAYGBCW-LBPRGKRZSA-N 1 0 209.358 3.070 10 0 BGAERO Cc1ccc(SC[C@@H]([NH3+])C(C)C)cc1 ZINC000077303691 178828606 /nfs/dbraw/zinc/82/86/06/178828606.db2.gz ZKLQZRVAAYGBCW-GFCCVEGCSA-N 1 0 209.358 3.070 10 0 BGAERO Cc1cccc(SC[C@H]([NH3+])C(C)C)c1 ZINC000077303693 179177216 /nfs/dbraw/zinc/17/72/16/179177216.db2.gz SIUDISGFXSCZJQ-LBPRGKRZSA-N 1 0 209.358 3.070 10 0 BGAERO Cc1cccc(SC[C@@H]([NH3+])C(C)C)c1 ZINC000077303696 179177255 /nfs/dbraw/zinc/17/72/55/179177255.db2.gz SIUDISGFXSCZJQ-GFCCVEGCSA-N 1 0 209.358 3.070 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](c2ccc(F)c(Cl)c2)C1 ZINC000077306122 181593136 /nfs/dbraw/zinc/59/31/36/181593136.db2.gz KUEDVBXDZRECEJ-VXNVDRBHSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+]CC1(c2ccccc2)CC2(C1)CCCC2 ZINC000077307701 181362712 /nfs/dbraw/zinc/36/27/12/181362712.db2.gz LKZQVZFWBZEHAO-UHFFFAOYSA-N 1 0 215.340 3.237 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](c2ccc3c(c2)CCC3)C1 ZINC000077307720 181584754 /nfs/dbraw/zinc/58/47/54/181584754.db2.gz GAMKZGUHGKIWMC-DZGCQCFKSA-N 1 0 215.340 3.160 10 0 BGAERO C[C@]1(c2ccc(Cl)s2)CCCC[NH2+]1 ZINC000077307819 177477744 /nfs/dbraw/zinc/47/77/44/177477744.db2.gz XGQHRRNBXACDEL-SNVBAGLBSA-N 1 0 215.749 3.390 10 0 BGAERO Cc1cccc(C2(C[NH3+])CC(C(C)C)C2)c1 ZINC000077325400 179050774 /nfs/dbraw/zinc/05/07/74/179050774.db2.gz YAUOOVNPMSGBLK-UHFFFAOYSA-N 1 0 217.356 3.258 10 0 BGAERO Cc1ccc(C2(C[NH3+])CC(C(C)C)C2)cc1 ZINC000077325401 178512305 /nfs/dbraw/zinc/51/23/05/178512305.db2.gz MPRHAZLEESHJJW-UHFFFAOYSA-N 1 0 217.356 3.258 10 0 BGAERO Cc1ccccc1C1(C[NH3+])CCC(C)CC1 ZINC000077325463 179255474 /nfs/dbraw/zinc/25/54/74/179255474.db2.gz WACZFVJQOISHDC-UHFFFAOYSA-N 1 0 217.356 3.402 10 0 BGAERO Cc1cccc(C2(C[NH3+])CCC(C)CC2)c1 ZINC000077325464 179050884 /nfs/dbraw/zinc/05/08/84/179050884.db2.gz MGTYXKVGEDWYGW-UHFFFAOYSA-N 1 0 217.356 3.402 10 0 BGAERO Cc1ccc(C2(C[NH3+])CCC(C)CC2)cc1 ZINC000077325466 178512052 /nfs/dbraw/zinc/51/20/52/178512052.db2.gz WKLXDYWPTRLEBP-UHFFFAOYSA-N 1 0 217.356 3.402 10 0 BGAERO CC(C)Cc1ccc(C[C@@H]2CC[NH2+]C2)cc1 ZINC000077325502 188493291 /nfs/dbraw/zinc/49/32/91/188493291.db2.gz NYBNUZWQJOZVMI-HNNXBMFYSA-N 1 0 217.356 3.037 10 0 BGAERO CC(C)(C[NH3+])CCc1ccc(Cl)s1 ZINC000077325692 188291188 /nfs/dbraw/zinc/29/11/88/188291188.db2.gz YDXSWFNSQNHYMU-UHFFFAOYSA-N 1 0 217.765 3.319 10 0 BGAERO CC1CCC(C[NH3+])(c2ccccc2F)CC1 ZINC000077332598 168153513 /nfs/dbraw/zinc/15/35/13/168153513.db2.gz FNGHOPBZQQGHNE-UHFFFAOYSA-N 1 0 221.319 3.232 10 0 BGAERO CC1CCC(C[NH3+])(c2ccc(F)cc2)CC1 ZINC000077332599 168153734 /nfs/dbraw/zinc/15/37/34/168153734.db2.gz SAPZNSOEGUUYGY-UHFFFAOYSA-N 1 0 221.319 3.232 10 0 BGAERO CC1CCC(C[NH3+])(c2cccc(F)c2)CC1 ZINC000077332601 168154211 /nfs/dbraw/zinc/15/42/11/168154211.db2.gz WDLQQNQZZLDFQG-UHFFFAOYSA-N 1 0 221.319 3.232 10 0 BGAERO Cc1cc([C@@H](C)CC[NH2+]C2CC2)ccc1F ZINC000077332605 178220852 /nfs/dbraw/zinc/22/08/52/178220852.db2.gz ALDQOKOMFGYCQM-JTQLQIEISA-N 1 0 221.319 3.380 10 0 BGAERO Cc1cc([C@H](C)CC[NH2+]C2CC2)ccc1F ZINC000077332606 178244067 /nfs/dbraw/zinc/24/40/67/178244067.db2.gz ALDQOKOMFGYCQM-SNVBAGLBSA-N 1 0 221.319 3.380 10 0 BGAERO [NH3+]CC1(c2cccs2)CC2(C1)CCCC2 ZINC000077332881 181363412 /nfs/dbraw/zinc/36/34/12/181363412.db2.gz UBGPHLIPUPFETA-UHFFFAOYSA-N 1 0 221.369 3.299 10 0 BGAERO Cc1ccc(C)c(SC[C@@H]([NH3+])C(C)C)c1 ZINC000077336297 178493141 /nfs/dbraw/zinc/49/31/41/178493141.db2.gz BVHBOOFQHBJFSY-GFCCVEGCSA-N 1 0 223.385 3.379 10 0 BGAERO CC1(C)CC(C[NH3+])(c2cccc(Cl)c2)C1 ZINC000077336402 167888084 /nfs/dbraw/zinc/88/80/84/167888084.db2.gz FGOGKNMPUAFQIX-UHFFFAOYSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1ccccc1Cl ZINC000077336409 176134274 /nfs/dbraw/zinc/13/42/74/176134274.db2.gz IXICANHXAOSQPF-MFKMUULPSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccccc1Cl ZINC000077336413 177128431 /nfs/dbraw/zinc/12/84/31/177128431.db2.gz IXICANHXAOSQPF-GWCFXTLKSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccccc1Cl ZINC000077336415 176152123 /nfs/dbraw/zinc/15/21/23/176152123.db2.gz IXICANHXAOSQPF-ZWNOBZJWSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@H]1CCC[C@]1(C[NH3+])c1ccccc1Cl ZINC000077336418 177144665 /nfs/dbraw/zinc/14/46/65/177144665.db2.gz IXICANHXAOSQPF-GXFFZTMASA-N 1 0 223.747 3.357 10 0 BGAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1cccc(Cl)c1 ZINC000077336421 176134325 /nfs/dbraw/zinc/13/43/25/176134325.db2.gz PENQYHIAGQYJHW-MFKMUULPSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@H]1CCC[C@@]1(C[NH3+])c1cccc(Cl)c1 ZINC000077336422 177128371 /nfs/dbraw/zinc/12/83/71/177128371.db2.gz PENQYHIAGQYJHW-GWCFXTLKSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@@H]1CCC[C@]1(C[NH3+])c1cccc(Cl)c1 ZINC000077336425 176152008 /nfs/dbraw/zinc/15/20/08/176152008.db2.gz PENQYHIAGQYJHW-ZWNOBZJWSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@H]1CCC[C@]1(C[NH3+])c1cccc(Cl)c1 ZINC000077336429 177144310 /nfs/dbraw/zinc/14/43/10/177144310.db2.gz PENQYHIAGQYJHW-GXFFZTMASA-N 1 0 223.747 3.357 10 0 BGAERO C[C@@H]1CCC[C@@]1(C[NH3+])c1ccc(Cl)cc1 ZINC000077336430 176133551 /nfs/dbraw/zinc/13/35/51/176133551.db2.gz GUYPAKJMSGPSLE-MFKMUULPSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@H]1CCC[C@@]1(C[NH3+])c1ccc(Cl)cc1 ZINC000077336434 177128402 /nfs/dbraw/zinc/12/84/02/177128402.db2.gz GUYPAKJMSGPSLE-GWCFXTLKSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@@H]1CCC[C@]1(C[NH3+])c1ccc(Cl)cc1 ZINC000077336435 176151991 /nfs/dbraw/zinc/15/19/91/176151991.db2.gz GUYPAKJMSGPSLE-ZWNOBZJWSA-N 1 0 223.747 3.357 10 0 BGAERO C[C@H]1CCC[C@]1(C[NH3+])c1ccc(Cl)cc1 ZINC000077336437 177144695 /nfs/dbraw/zinc/14/46/95/177144695.db2.gz GUYPAKJMSGPSLE-GXFFZTMASA-N 1 0 223.747 3.357 10 0 BGAERO C[C@@H](CC[NH2+]C1CC1)c1cc(F)ccc1F ZINC000077338466 175675266 /nfs/dbraw/zinc/67/52/66/175675266.db2.gz KOKQJNNJRCCLQB-VIFPVBQESA-N 1 0 225.282 3.210 10 0 BGAERO C[C@@H](CC[NH2+]C1CC1)c1ccc(F)cc1F ZINC000077338483 175675402 /nfs/dbraw/zinc/67/54/02/175675402.db2.gz DCAUGTNZRHHNOV-VIFPVBQESA-N 1 0 225.282 3.210 10 0 BGAERO [NH3+]CC1(c2cccc(-c3cccs3)c2)CC1 ZINC000077358512 488166931 /nfs/dbraw/zinc/16/69/31/488166931.db2.gz BXFYDEZDPIVBAP-UHFFFAOYSA-N 1 0 229.348 3.405 10 0 BGAERO CC(C)[C@@H]([NH3+])CSc1cccc(Cl)c1 ZINC000077358885 167423344 /nfs/dbraw/zinc/42/33/44/167423344.db2.gz PZRNDTFUJZUHPG-NSHDSACASA-N 1 0 229.776 3.415 10 0 BGAERO C[C@H]1C[C@@]1(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000077359013 177353040 /nfs/dbraw/zinc/35/30/40/177353040.db2.gz FJUYGNFVEWFDED-CPCISQLKSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@H]1C[C@]1(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000077359016 176449250 /nfs/dbraw/zinc/44/92/50/176449250.db2.gz FJUYGNFVEWFDED-RDDDGLTNSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@H]1C[C@]1(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000077359020 177386868 /nfs/dbraw/zinc/38/68/68/177386868.db2.gz FJUYGNFVEWFDED-WRWORJQWSA-N 1 0 230.138 3.230 10 0 BGAERO C[NH2+]Cc1ncc(-c2ccc(C(C)C)cc2)o1 ZINC000077359759 173397052 /nfs/dbraw/zinc/39/70/52/173397052.db2.gz SYYWAVSQYYFARI-UHFFFAOYSA-N 1 0 230.311 3.184 10 0 BGAERO [NH3+]CC1(c2ccccn2)CC2(C1)CCCCC2 ZINC000077360234 181362434 /nfs/dbraw/zinc/36/24/34/181362434.db2.gz ZJAFETOXLJPJFJ-UHFFFAOYSA-N 1 0 230.355 3.022 10 0 BGAERO [NH3+]CC1(c2cccnc2)CC2(C1)CCCCC2 ZINC000077360237 181362586 /nfs/dbraw/zinc/36/25/86/181362586.db2.gz IOXXZHKLMYCCAP-UHFFFAOYSA-N 1 0 230.355 3.022 10 0 BGAERO [NH3+]CC1(c2ccncc2)CC2(C1)CCCCC2 ZINC000077360238 181364145 /nfs/dbraw/zinc/36/41/45/181364145.db2.gz KVOQSEWECURBJZ-UHFFFAOYSA-N 1 0 230.355 3.022 10 0 BGAERO CC(C)[NH2+]CCCCc1ccc2ncoc2c1 ZINC000077364395 167101375 /nfs/dbraw/zinc/10/13/75/167101375.db2.gz QCMXJXQWKXJCAU-UHFFFAOYSA-N 1 0 232.327 3.149 10 0 BGAERO [NH3+]CC1(c2ccccc2F)CC2(C1)CCCC2 ZINC000077366815 181363115 /nfs/dbraw/zinc/36/31/15/181363115.db2.gz AFFRESBTPLQBAF-UHFFFAOYSA-N 1 0 233.330 3.376 10 0 BGAERO [NH3+]CC1(c2ccc(F)cc2)CC2(C1)CCCC2 ZINC000077366817 181362773 /nfs/dbraw/zinc/36/27/73/181362773.db2.gz LMWPPOPDVGAEGX-UHFFFAOYSA-N 1 0 233.330 3.376 10 0 BGAERO [NH3+]CC1(c2cccc(F)c2)CC2(C1)CCCC2 ZINC000077366820 181362933 /nfs/dbraw/zinc/36/29/33/181362933.db2.gz DGPPHXYWEILYTM-UHFFFAOYSA-N 1 0 233.330 3.376 10 0 BGAERO CC(C)Oc1ccc([C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000077367012 167301167 /nfs/dbraw/zinc/30/11/67/167301167.db2.gz YMPNTMNKAPDPSJ-OCCSQVGLSA-N 1 0 233.355 3.329 10 0 BGAERO CC(C)Oc1ccc([C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000077367014 167301091 /nfs/dbraw/zinc/30/10/91/167301091.db2.gz YMPNTMNKAPDPSJ-JSGCOSHPSA-N 1 0 233.355 3.329 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000077367018 167299042 /nfs/dbraw/zinc/29/90/42/167299042.db2.gz YMPNTMNKAPDPSJ-TZMCWYRMSA-N 1 0 233.355 3.329 10 0 BGAERO CC(C)Oc1ccc([C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000077367020 167298320 /nfs/dbraw/zinc/29/83/20/167298320.db2.gz YMPNTMNKAPDPSJ-GXTWGEPZSA-N 1 0 233.355 3.329 10 0 BGAERO COc1ccc(C)cc1C1(C[NH3+])CC(C)(C)C1 ZINC000077367065 175074159 /nfs/dbraw/zinc/07/41/59/175074159.db2.gz RNUDIVMNXMKHSV-UHFFFAOYSA-N 1 0 233.355 3.020 10 0 BGAERO CCOc1ccc([C@]2(C[NH3+])CCC[C@H]2C)cc1 ZINC000077367100 170565635 /nfs/dbraw/zinc/56/56/35/170565635.db2.gz XRRPXBNBSLDJLS-DOMZBBRYSA-N 1 0 233.355 3.102 10 0 BGAERO COc1ccc(C)cc1[C@]1(C[NH3+])CCC[C@@H]1C ZINC000077367120 175082937 /nfs/dbraw/zinc/08/29/37/175082937.db2.gz VWHUHUWYMDLPKI-WFASDCNBSA-N 1 0 233.355 3.020 10 0 BGAERO COc1ccc(C)cc1[C@@]1(C[NH3+])CCC[C@@H]1C ZINC000077367122 175081411 /nfs/dbraw/zinc/08/14/11/175081411.db2.gz VWHUHUWYMDLPKI-SWLSCSKDSA-N 1 0 233.355 3.020 10 0 BGAERO COc1ccc(C)cc1[C@]1(C[NH3+])CCC[C@H]1C ZINC000077367123 175082836 /nfs/dbraw/zinc/08/28/36/175082836.db2.gz VWHUHUWYMDLPKI-DOMZBBRYSA-N 1 0 233.355 3.020 10 0 BGAERO COc1ccc(C)cc1[C@@]1(C[NH3+])CCC[C@H]1C ZINC000077367131 175081292 /nfs/dbraw/zinc/08/12/92/175081292.db2.gz VWHUHUWYMDLPKI-IUODEOHRSA-N 1 0 233.355 3.020 10 0 BGAERO COc1ccccc1C1(C[NH3+])CCC(C)CC1 ZINC000077367169 175320073 /nfs/dbraw/zinc/32/00/73/175320073.db2.gz JVJWUXVBJCFKOS-UHFFFAOYSA-N 1 0 233.355 3.102 10 0 BGAERO COc1cccc(C2(C[NH3+])CCC(C)CC2)c1 ZINC000077367171 175247861 /nfs/dbraw/zinc/24/78/61/175247861.db2.gz WLCRFDBIRKHPHI-UHFFFAOYSA-N 1 0 233.355 3.102 10 0 BGAERO COc1ccc(C2(C[NH3+])CCC(C)CC2)cc1 ZINC000077367172 175084164 /nfs/dbraw/zinc/08/41/64/175084164.db2.gz OXKZORGMOVVGON-UHFFFAOYSA-N 1 0 233.355 3.102 10 0 BGAERO CCCCOc1ccc(C[C@@H]2CC[NH2+]C2)cc1 ZINC000077367265 168918567 /nfs/dbraw/zinc/91/85/67/168918567.db2.gz KFYBHGBRAJHXJJ-AWEZNQCLSA-N 1 0 233.355 3.018 10 0 BGAERO COc1cc(C)c([C@H]2CCC[C@H]([NH3+])C2)cc1C ZINC000077367332 174963227 /nfs/dbraw/zinc/96/32/27/174963227.db2.gz SAUXPYGHKPOWRM-STQMWFEESA-N 1 0 233.355 3.297 10 0 BGAERO COc1cc(C)c([C@@H]2CCC[C@@H]([NH3+])C2)cc1C ZINC000077367334 174962318 /nfs/dbraw/zinc/96/23/18/174962318.db2.gz SAUXPYGHKPOWRM-CHWSQXEVSA-N 1 0 233.355 3.297 10 0 BGAERO CCCOc1ccc([C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000077367340 169321347 /nfs/dbraw/zinc/32/13/47/169321347.db2.gz MMAWCIHKWNAKRS-KGLIPLIRSA-N 1 0 233.355 3.460 10 0 BGAERO CCCOc1ccc([C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000077367342 169322257 /nfs/dbraw/zinc/32/22/57/169322257.db2.gz MMAWCIHKWNAKRS-KBPBESRZSA-N 1 0 233.355 3.460 10 0 BGAERO CCCOc1ccc([C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000077367344 169321296 /nfs/dbraw/zinc/32/12/96/169321296.db2.gz MMAWCIHKWNAKRS-ZIAGYGMSSA-N 1 0 233.355 3.460 10 0 BGAERO CCCOc1ccc([C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000077367347 169322447 /nfs/dbraw/zinc/32/24/47/169322447.db2.gz MMAWCIHKWNAKRS-UONOGXRCSA-N 1 0 233.355 3.460 10 0 BGAERO COc1cc(C)cc(C)c1[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000077367403 188311728 /nfs/dbraw/zinc/31/17/28/188311728.db2.gz AEPSOPMBDYUGEI-CHWSQXEVSA-N 1 0 233.355 3.297 10 0 BGAERO COc1cc(C)cc(C)c1[C@H]1CCC[C@@H]([NH3+])C1 ZINC000077367405 174965050 /nfs/dbraw/zinc/96/50/50/174965050.db2.gz AEPSOPMBDYUGEI-QWHCGFSZSA-N 1 0 233.355 3.297 10 0 BGAERO COc1ccc([C@@H](C)CC[NH2+]C2CC2)cc1C ZINC000077367494 175175996 /nfs/dbraw/zinc/17/59/96/175175996.db2.gz WFBQJJDKNDMZAB-NSHDSACASA-N 1 0 233.355 3.249 10 0 BGAERO COc1ccc(C)cc1[C@@H](C)CC[NH2+]C1CC1 ZINC000077367500 175079334 /nfs/dbraw/zinc/07/93/34/175079334.db2.gz QNLQKCJTFVRRGZ-LBPRGKRZSA-N 1 0 233.355 3.249 10 0 BGAERO COc1ccc(C)cc1[C@H](C)CC[NH2+]C1CC1 ZINC000077367502 175081683 /nfs/dbraw/zinc/08/16/83/175081683.db2.gz QNLQKCJTFVRRGZ-GFCCVEGCSA-N 1 0 233.355 3.249 10 0 BGAERO Cc1cc(N(C)C2CCCCCC2)[nH+]cc1N ZINC000077367590 178097147 /nfs/dbraw/zinc/09/71/47/178097147.db2.gz AMKBPKVRCWPTHW-UHFFFAOYSA-N 1 0 233.359 3.131 10 0 BGAERO Cc1cc(Cl)ccc1Nc1cc[nH+]cc1N ZINC000077367756 178068937 /nfs/dbraw/zinc/06/89/37/178068937.db2.gz FCQIJTTXEQWRNJ-UHFFFAOYSA-N 1 0 233.702 3.369 10 0 BGAERO C[NH2+]CCCN(C)c1c(C)cccc1C(C)C ZINC000077370014 173347321 /nfs/dbraw/zinc/34/73/21/173347321.db2.gz YTQWQSDNLNWAPI-UHFFFAOYSA-N 1 0 234.387 3.164 10 0 BGAERO C[NH2+]CCCN(C)c1ccccc1C(C)(C)C ZINC000077370016 173347050 /nfs/dbraw/zinc/34/70/50/173347050.db2.gz SDTBVMRZLGNZFD-UHFFFAOYSA-N 1 0 234.387 3.030 10 0 BGAERO C[NH2+]CCCN(C)c1ccc(C(C)(C)C)cc1 ZINC000077370019 173347052 /nfs/dbraw/zinc/34/70/52/173347052.db2.gz RNNVXCOEKHTAPF-UHFFFAOYSA-N 1 0 234.387 3.030 10 0 BGAERO CC(C)Oc1ccc(CCC(C)(C)C[NH3+])cc1 ZINC000077371578 167292311 /nfs/dbraw/zinc/29/23/11/167292311.db2.gz OYHPARYSTLSQCN-UHFFFAOYSA-N 1 0 235.371 3.391 10 0 BGAERO C[NH2+]CCOCc1cc(C(C)(C)C)ccc1C ZINC000077371611 173357204 /nfs/dbraw/zinc/35/72/04/173357204.db2.gz HUENBCMSXCXVTQ-UHFFFAOYSA-N 1 0 235.371 3.029 10 0 BGAERO C[NH2+]CCOCc1ccc(C(C)(C)C)cc1C ZINC000077371613 173357154 /nfs/dbraw/zinc/35/71/54/173357154.db2.gz QXHFOIUTPFSIDX-UHFFFAOYSA-N 1 0 235.371 3.029 10 0 BGAERO Cc1cc(C(C)(C)C)ccc1COCCC[NH3+] ZINC000077371617 187446263 /nfs/dbraw/zinc/44/62/63/187446263.db2.gz XKEDUKCEVSAUJE-UHFFFAOYSA-N 1 0 235.371 3.158 10 0 BGAERO C[NH2+]CCCOCc1c(C)c(C)cc(C)c1C ZINC000077371618 173349732 /nfs/dbraw/zinc/34/97/32/173349732.db2.gz VTBAVKGSFMSWAY-UHFFFAOYSA-N 1 0 235.371 3.046 10 0 BGAERO COc1ccc([C@@H](C)CC[NH2+]C2CC2)cc1F ZINC000077374299 175176243 /nfs/dbraw/zinc/17/62/43/175176243.db2.gz PJSGTNZXUYYEDH-JTQLQIEISA-N 1 0 237.318 3.080 10 0 BGAERO COc1ccc(F)cc1[C@@H](C)CC[NH2+]C1CC1 ZINC000077374301 175131894 /nfs/dbraw/zinc/13/18/94/175131894.db2.gz LCLQZAWAQDMGGW-JTQLQIEISA-N 1 0 237.318 3.080 10 0 BGAERO COc1ccc(F)cc1[C@H](C)CC[NH2+]C1CC1 ZINC000077374302 175133134 /nfs/dbraw/zinc/13/31/34/175133134.db2.gz LCLQZAWAQDMGGW-SNVBAGLBSA-N 1 0 237.318 3.080 10 0 BGAERO CCOc1ccc(SC[C@H]([NH3+])C(C)C)cc1 ZINC000077385034 187280707 /nfs/dbraw/zinc/28/07/07/187280707.db2.gz QQIBNXXEXLBCLT-ZDUSSCGKSA-N 1 0 239.384 3.161 10 0 BGAERO COC[C@](C)([NH3+])c1ccc(-c2ccccc2)cc1 ZINC000077388283 174615572 /nfs/dbraw/zinc/61/55/72/174615572.db2.gz YFAYMULBOTYKPG-INIZCTEOSA-N 1 0 241.334 3.174 10 0 BGAERO C[NH2+]CCOCc1ccc(-c2ccccc2)cc1 ZINC000077388315 173356978 /nfs/dbraw/zinc/35/69/78/173356978.db2.gz DCBFROHLYXJARN-UHFFFAOYSA-N 1 0 241.334 3.090 10 0 BGAERO [NH3+]CCCOCc1ccc(-c2ccccc2)cc1 ZINC000077388319 181384609 /nfs/dbraw/zinc/38/46/09/181384609.db2.gz KBNIWOCANBYCCE-UHFFFAOYSA-N 1 0 241.334 3.219 10 0 BGAERO COc1ccc(CCC(C)(C)C[NH3+])cc1Cl ZINC000077389483 175088694 /nfs/dbraw/zinc/08/86/94/175088694.db2.gz IRFUDQSNZJNMGY-UHFFFAOYSA-N 1 0 241.762 3.266 10 0 BGAERO COc1ccc(Cl)cc1CCC(C)(C)C[NH3+] ZINC000077389486 175120831 /nfs/dbraw/zinc/12/08/31/175120831.db2.gz KVQNMPKABFHYEQ-UHFFFAOYSA-N 1 0 241.762 3.266 10 0 BGAERO COc1ccc(CCC(C)(C)C[NH3+])c(Cl)c1 ZINC000077389491 175088676 /nfs/dbraw/zinc/08/86/76/175088676.db2.gz NGSWCMPIAUHVQE-UHFFFAOYSA-N 1 0 241.762 3.266 10 0 BGAERO Cc1ccc(CC[C@@H](C)[NH3+])cc1Br ZINC000077389597 188048584 /nfs/dbraw/zinc/04/85/84/188048584.db2.gz GAAYKQGZUMYQDU-SECBINFHSA-N 1 0 242.160 3.037 10 0 BGAERO Cc1ccc(CC[C@H](C)[NH3+])cc1Br ZINC000077389601 178536652 /nfs/dbraw/zinc/53/66/52/178536652.db2.gz GAAYKQGZUMYQDU-VIFPVBQESA-N 1 0 242.160 3.037 10 0 BGAERO Cc1cc(Br)ccc1CC[C@H](C)[NH3+] ZINC000077389612 177723170 /nfs/dbraw/zinc/72/31/70/177723170.db2.gz VJOMFMIEBWTQKR-VIFPVBQESA-N 1 0 242.160 3.037 10 0 BGAERO Cc1cc(CC[C@@H](C)[NH3+])ccc1Br ZINC000077389617 177965924 /nfs/dbraw/zinc/96/59/24/177965924.db2.gz ACBMICGAGDXGSH-SECBINFHSA-N 1 0 242.160 3.037 10 0 BGAERO C[NH2+]Cc1ncc(-c2ccc(C(C)(C)C)cc2)o1 ZINC000077396587 173398033 /nfs/dbraw/zinc/39/80/33/173398033.db2.gz XRZQWMGTVMHRFD-UHFFFAOYSA-N 1 0 244.338 3.359 10 0 BGAERO Cc1nc2ccc(CCCC[NH2+]C3CC3)cc2o1 ZINC000077396865 180091549 /nfs/dbraw/zinc/09/15/49/180091549.db2.gz OJZPNCPYPLDOAD-UHFFFAOYSA-N 1 0 244.338 3.211 10 0 BGAERO Cc1nc2cc(CCCC[NH2+]C3CC3)ccc2o1 ZINC000077396867 180077973 /nfs/dbraw/zinc/07/79/73/180077973.db2.gz SXGMTWXVQMRCJW-UHFFFAOYSA-N 1 0 244.338 3.211 10 0 BGAERO COc1ccccc1C1(C[NH3+])CC2(C1)CCCC2 ZINC000077400032 175319476 /nfs/dbraw/zinc/31/94/76/175319476.db2.gz DCIRJOPOBPCRSW-UHFFFAOYSA-N 1 0 245.366 3.246 10 0 BGAERO COc1cccc(C2(C[NH3+])CC3(C2)CCCC3)c1 ZINC000077400035 175247762 /nfs/dbraw/zinc/24/77/62/175247762.db2.gz DRWCPHWETFDKDE-UHFFFAOYSA-N 1 0 245.366 3.246 10 0 BGAERO COc1ccc(C2(C[NH3+])CC3(C2)CCCC3)cc1 ZINC000077400039 175084830 /nfs/dbraw/zinc/08/48/30/175084830.db2.gz RFSSMJPZJWLTKX-UHFFFAOYSA-N 1 0 245.366 3.246 10 0 BGAERO Cc1nc2cc(CCCC[NH2+]C(C)C)ccc2[nH]1 ZINC000077400232 180091603 /nfs/dbraw/zinc/09/16/03/180091603.db2.gz DYUIYMWVFGUUBP-UHFFFAOYSA-N 1 0 245.370 3.192 10 0 BGAERO [NH3+][C@H]1CC[C@H](c2ccc(Br)s2)C1 ZINC000077400681 181654636 /nfs/dbraw/zinc/65/46/36/181654636.db2.gz VRBZGNPPQIOCQT-BQBZGAKWSA-N 1 0 246.173 3.105 10 0 BGAERO [NH3+][C@H]1CC[C@@H](c2cc(Br)cs2)C1 ZINC000077400690 181654207 /nfs/dbraw/zinc/65/42/07/181654207.db2.gz AGKBHHVEKMKPRU-SVRRBLITSA-N 1 0 246.173 3.105 10 0 BGAERO [NH3+][C@H]1CC[C@H](c2cc(Br)cs2)C1 ZINC000077400693 181654354 /nfs/dbraw/zinc/65/43/54/181654354.db2.gz AGKBHHVEKMKPRU-XPUUQOCRSA-N 1 0 246.173 3.105 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](c2cc(Br)cs2)C1 ZINC000077400696 181592538 /nfs/dbraw/zinc/59/25/38/181592538.db2.gz AGKBHHVEKMKPRU-HTRCEHHLSA-N 1 0 246.173 3.105 10 0 BGAERO [NH3+][C@@H]1CC[C@H](c2cc(Br)cs2)C1 ZINC000077400699 181593450 /nfs/dbraw/zinc/59/34/50/181593450.db2.gz AGKBHHVEKMKPRU-POYBYMJQSA-N 1 0 246.173 3.105 10 0 BGAERO Cc1nc2ccc(CCCC[NH2+]C(C)C)cc2o1 ZINC000077403586 180091474 /nfs/dbraw/zinc/09/14/74/180091474.db2.gz MQXSHQBCINNOEW-UHFFFAOYSA-N 1 0 246.354 3.457 10 0 BGAERO Cc1nc2cc(CCCC[NH2+]C(C)C)ccc2o1 ZINC000077403592 180078555 /nfs/dbraw/zinc/07/85/55/180078555.db2.gz NNMWLKFOFMVFIS-UHFFFAOYSA-N 1 0 246.354 3.457 10 0 BGAERO C[NH2+]CCCN(C)c1ccc(Cl)c(Cl)c1 ZINC000077404506 173347289 /nfs/dbraw/zinc/34/72/89/173347289.db2.gz GXMAWQREPDYMQG-UHFFFAOYSA-N 1 0 247.169 3.039 10 0 BGAERO C[NH2+]CCCN(C)c1cc(Cl)ccc1Cl ZINC000077404511 173347064 /nfs/dbraw/zinc/34/70/64/173347064.db2.gz BOWKMUMVQFUWCK-UHFFFAOYSA-N 1 0 247.169 3.039 10 0 BGAERO C[NH2+]CCCN(C)c1cccc(Cl)c1Cl ZINC000077404516 173346699 /nfs/dbraw/zinc/34/66/99/173346699.db2.gz RONZHQNNGMYEQF-UHFFFAOYSA-N 1 0 247.169 3.039 10 0 BGAERO CCOc1ccc(C2(C[NH3+])CC(C(C)C)C2)cc1 ZINC000077418622 170540841 /nfs/dbraw/zinc/54/08/41/170540841.db2.gz ZUHWVKCRVFNYPT-UHFFFAOYSA-N 1 0 247.382 3.348 10 0 BGAERO COc1ccc(C)cc1C1(C[NH3+])CC(C(C)C)C1 ZINC000077418626 175074109 /nfs/dbraw/zinc/07/41/09/175074109.db2.gz MEILALGPIBPMKC-UHFFFAOYSA-N 1 0 247.382 3.266 10 0 BGAERO COc1ccc(C)cc1C1(C[NH3+])CCC(C)CC1 ZINC000077418705 175074122 /nfs/dbraw/zinc/07/41/22/175074122.db2.gz VQJHHWVBWZFYJJ-UHFFFAOYSA-N 1 0 247.382 3.410 10 0 BGAERO C[NH2+]CCOCc1ccc(C2CCCCC2)cc1 ZINC000077419067 173357138 /nfs/dbraw/zinc/35/71/38/173357138.db2.gz UNMOKGXXLXDGHX-UHFFFAOYSA-N 1 0 247.382 3.470 10 0 BGAERO C[NH2+]CCCOCc1ccc(Cl)cc1Cl ZINC000077419517 173349479 /nfs/dbraw/zinc/34/94/79/173349479.db2.gz PIGLZUJBGPXFJM-UHFFFAOYSA-N 1 0 248.153 3.120 10 0 BGAERO C[NH2+]CCCOCc1ccc(Cl)c(Cl)c1 ZINC000077419521 173350040 /nfs/dbraw/zinc/35/00/40/173350040.db2.gz NDKXGBQTLSPQRP-UHFFFAOYSA-N 1 0 248.153 3.120 10 0 BGAERO C[NH2+]CC(C)(C)c1ccc(Br)s1 ZINC000077419524 173337997 /nfs/dbraw/zinc/33/79/97/173337997.db2.gz DPCIZEJTVTVGJF-UHFFFAOYSA-N 1 0 248.189 3.008 10 0 BGAERO C[NH2+]CC(C)(C)c1cc(Br)cs1 ZINC000077419527 173338068 /nfs/dbraw/zinc/33/80/68/173338068.db2.gz FVDQPMNUEMTEGC-UHFFFAOYSA-N 1 0 248.189 3.008 10 0 BGAERO C[NH2+]CCOCc1c(C)cc(C(C)(C)C)cc1C ZINC000077429589 173357122 /nfs/dbraw/zinc/35/71/22/173357122.db2.gz JUJILKCIEJXKFY-UHFFFAOYSA-N 1 0 249.398 3.337 10 0 BGAERO C[C@@H]1C[NH+]([C@@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000078372443 325416314 /nfs/dbraw/zinc/41/63/14/325416314.db2.gz RQHYCIDEEHQCCJ-XJKCOSOUSA-N 1 0 245.366 3.173 10 0 BGAERO CC[NH+](CC)Cc1ccc2ccccc2n1 ZINC000078502648 135394260 /nfs/dbraw/zinc/39/42/60/135394260.db2.gz MIMLWMJAEYJNJT-UHFFFAOYSA-N 1 0 214.312 3.077 10 0 BGAERO [NH3+]CCN(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000079130359 343713016 /nfs/dbraw/zinc/71/30/16/343713016.db2.gz JYSAMWQDDVEJSJ-UHFFFAOYSA-N 1 0 248.276 3.062 10 0 BGAERO CCN1CCC[C@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000079627744 535581094 /nfs/dbraw/zinc/58/10/94/535581094.db2.gz BYTQMZISUMUHGV-AWEZNQCLSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@@H]([NH2+]C2CCC(C)(C)CC2)C1 ZINC000079627746 535538401 /nfs/dbraw/zinc/53/84/01/535538401.db2.gz BYTQMZISUMUHGV-CQSZACIVSA-N 1 0 238.419 3.029 10 0 BGAERO CC1(C)CCC([NH2+][C@@H]2CCCCC[C@@H]2O)CC1 ZINC000079678607 135397276 /nfs/dbraw/zinc/39/72/76/135397276.db2.gz HVQOYGWYVWARLI-KGLIPLIRSA-N 1 0 239.403 3.238 10 0 BGAERO CC1(C)CCC([NH2+][C@H]2CCCCC[C@@H]2O)CC1 ZINC000079678609 135397328 /nfs/dbraw/zinc/39/73/28/135397328.db2.gz HVQOYGWYVWARLI-KBPBESRZSA-N 1 0 239.403 3.238 10 0 BGAERO CC1(C)CCC([NH2+][C@@H]2CCCCC[C@H]2O)CC1 ZINC000079678613 135397373 /nfs/dbraw/zinc/39/73/73/135397373.db2.gz HVQOYGWYVWARLI-ZIAGYGMSSA-N 1 0 239.403 3.238 10 0 BGAERO CC1(C)CCC([NH2+][C@H]2CCCCC[C@H]2O)CC1 ZINC000079678617 135397274 /nfs/dbraw/zinc/39/72/74/135397274.db2.gz HVQOYGWYVWARLI-UONOGXRCSA-N 1 0 239.403 3.238 10 0 BGAERO CC[C@@H](COC)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000079735345 388545861 /nfs/dbraw/zinc/54/58/61/388545861.db2.gz QSQMDKTYBHEGOW-GOEBONIOSA-N 1 0 247.382 3.469 10 0 BGAERO CC[C@H](COC)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000079735350 388545212 /nfs/dbraw/zinc/54/52/12/388545212.db2.gz QSQMDKTYBHEGOW-GDBMZVCRSA-N 1 0 247.382 3.469 10 0 BGAERO CC[C@@H](COC)[NH2+][C@H]1CCCCc2ccccc21 ZINC000079735351 388545782 /nfs/dbraw/zinc/54/57/82/388545782.db2.gz QSQMDKTYBHEGOW-HOCLYGCPSA-N 1 0 247.382 3.469 10 0 BGAERO CC[C@H](COC)[NH2+][C@H]1CCCCc2ccccc21 ZINC000079735357 325465583 /nfs/dbraw/zinc/46/55/83/325465583.db2.gz QSQMDKTYBHEGOW-ZBFHGGJFSA-N 1 0 247.382 3.469 10 0 BGAERO CC1(C)CCC(C)(C)c2cc(C(N)=[NH2+])ccc21 ZINC000080014045 344121793 /nfs/dbraw/zinc/12/17/93/344121793.db2.gz IIXGGIGGOMCDNS-UHFFFAOYSA-N 1 0 230.355 3.320 10 0 BGAERO CC[NH2+]CCCCc1cn(C)c2ccccc12 ZINC000080060897 170112631 /nfs/dbraw/zinc/11/26/31/170112631.db2.gz ANIYCXCUWBQVBQ-UHFFFAOYSA-N 1 0 230.355 3.111 10 0 BGAERO CC(C)[NH2+]CCCCc1cn(C)c2ccccc12 ZINC000080061058 167102874 /nfs/dbraw/zinc/10/28/74/167102874.db2.gz XFRVQJRDJXSCRH-UHFFFAOYSA-N 1 0 244.382 3.499 10 0 BGAERO CC(C)[NH2+]CCCCc1c[nH]c2ccccc12 ZINC000080061078 167103006 /nfs/dbraw/zinc/10/30/06/167103006.db2.gz IQSJYWYHQJYGAU-UHFFFAOYSA-N 1 0 230.355 3.489 10 0 BGAERO Cn1cc(CCCC[NH2+]C2CC2)c2ccccc21 ZINC000080061121 180637994 /nfs/dbraw/zinc/63/79/94/180637994.db2.gz DUMYFZALYRWSNI-UHFFFAOYSA-N 1 0 242.366 3.253 10 0 BGAERO c1[nH]c2ccccc2c1CCCC[NH2+]C1CC1 ZINC000080061139 183437546 /nfs/dbraw/zinc/43/75/46/183437546.db2.gz CEAYJNBQBINXPK-UHFFFAOYSA-N 1 0 228.339 3.243 10 0 BGAERO CC(C)[NH2+]CCCc1cn(C)c2ccccc12 ZINC000080067748 167102132 /nfs/dbraw/zinc/10/21/32/167102132.db2.gz NHWHZWKJDZUMMG-UHFFFAOYSA-N 1 0 230.355 3.109 10 0 BGAERO CC(C)(C)[NH2+]CCCc1c[nH]c2ccccc12 ZINC000080068013 166630810 /nfs/dbraw/zinc/63/08/10/166630810.db2.gz ASQRREJEHJLZFN-UHFFFAOYSA-N 1 0 230.355 3.489 10 0 BGAERO FC(F)(F)Oc1ccccc1[C@@H]1CCC[NH2+]C1 ZINC000080095948 384528185 /nfs/dbraw/zinc/52/81/85/384528185.db2.gz ZLMCPOBNVZLSGH-SECBINFHSA-N 1 0 245.244 3.052 10 0 BGAERO FC(F)(F)Oc1ccccc1[C@H]1CCC[NH2+]C1 ZINC000080095952 384527675 /nfs/dbraw/zinc/52/76/75/384527675.db2.gz ZLMCPOBNVZLSGH-VIFPVBQESA-N 1 0 245.244 3.052 10 0 BGAERO c1ccc2c(C[NH2+][C@H]3CC=CCC3)ccnc2c1 ZINC000080123441 388552961 /nfs/dbraw/zinc/55/29/61/388552961.db2.gz HBGRXYCBEYBHHX-AWEZNQCLSA-N 1 0 238.334 3.433 10 0 BGAERO c1ccc2c(C[NH2+][C@@H]3CC=CCC3)ccnc2c1 ZINC000080123446 388552944 /nfs/dbraw/zinc/55/29/44/388552944.db2.gz HBGRXYCBEYBHHX-CQSZACIVSA-N 1 0 238.334 3.433 10 0 BGAERO CC[NH2+]Cc1ccc(Cc2ccccc2)cc1 ZINC000080180971 170126502 /nfs/dbraw/zinc/12/65/02/170126502.db2.gz AFLGAQAUASYWNK-UHFFFAOYSA-N 1 0 225.335 3.387 10 0 BGAERO COc1ccc(CCCC[NH2+]C(C)C)cc1F ZINC000080391910 175089333 /nfs/dbraw/zinc/08/93/33/175089333.db2.gz GYKATDLJGJZYJS-UHFFFAOYSA-N 1 0 239.334 3.155 10 0 BGAERO CC(C)[NH2+]CCCCc1ccc2c(c1)CCC2 ZINC000080391929 167103081 /nfs/dbraw/zinc/10/30/81/167103081.db2.gz KRIJRUALNZSBCP-UHFFFAOYSA-N 1 0 231.383 3.496 10 0 BGAERO CCCOc1ccc(CCC[NH2+]C(C)C)cc1 ZINC000080391952 169317694 /nfs/dbraw/zinc/31/76/94/169317694.db2.gz WKKRJSDZHNRBIY-UHFFFAOYSA-N 1 0 235.371 3.406 10 0 BGAERO COc1ccc(C)cc1CCCC[NH2+]C(C)C ZINC000080391969 175073772 /nfs/dbraw/zinc/07/37/72/175073772.db2.gz HGJDAJVDGGAESS-UHFFFAOYSA-N 1 0 235.371 3.324 10 0 BGAERO CC(C)[NH2+]CCCc1ccc(OC(C)C)cc1 ZINC000080391987 167101355 /nfs/dbraw/zinc/10/13/55/167101355.db2.gz DXLIFMLLLBYGIU-UHFFFAOYSA-N 1 0 235.371 3.404 10 0 BGAERO c1cc(CCCC[NH2+]C2CC2)cc2c1CCC2 ZINC000080392026 183366340 /nfs/dbraw/zinc/36/63/40/183366340.db2.gz IEBPBVJWBKXJRS-UHFFFAOYSA-N 1 0 229.367 3.250 10 0 BGAERO COc1ccc(C)cc1CCCC[NH2+]C1CC1 ZINC000080392071 175074126 /nfs/dbraw/zinc/07/41/26/175074126.db2.gz KUAPNQCZSFNBDS-UHFFFAOYSA-N 1 0 233.355 3.078 10 0 BGAERO CC(C)Oc1ccc(CCC[NH2+]C2CC2)cc1 ZINC000080392104 167293076 /nfs/dbraw/zinc/29/30/76/167293076.db2.gz QYKIKHQVDYEMLS-UHFFFAOYSA-N 1 0 233.355 3.158 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CN2CCCCC2)C1 ZINC000080456623 135410249 /nfs/dbraw/zinc/41/02/49/135410249.db2.gz KEWHTXTVFBZBLQ-RRFJBIMHSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](CC(C)C)CN(C)C)C1 ZINC000080456799 325481337 /nfs/dbraw/zinc/48/13/37/325481337.db2.gz MAXVLGWATCQADW-ILXRZTDVSA-N 1 0 240.435 3.131 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]CCN(C)C2CCCC2)C1 ZINC000080461137 135374318 /nfs/dbraw/zinc/37/43/18/135374318.db2.gz CJWLPRSPEZWKIH-KGLIPLIRSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+]CCN(C)C2CCCC2)C1 ZINC000080461141 135374737 /nfs/dbraw/zinc/37/47/37/135374737.db2.gz CJWLPRSPEZWKIH-KBPBESRZSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CCN(C)C2CCCC2)C1 ZINC000080461144 135375036 /nfs/dbraw/zinc/37/50/36/135375036.db2.gz CJWLPRSPEZWKIH-ZIAGYGMSSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@H]1CC[C@@H]([NH2+]CCN(C)C2CCCC2)C1 ZINC000080461149 536093970 /nfs/dbraw/zinc/09/39/70/536093970.db2.gz CJWLPRSPEZWKIH-UONOGXRCSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CC(C)(C)CCO)CC(C)(C)C1 ZINC000080535118 135415550 /nfs/dbraw/zinc/41/55/50/135415550.db2.gz HCKHUYAQNNPZLD-OLZOCXBDSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CC(C)(C)CCO)CC(C)(C)C1 ZINC000080535125 135415117 /nfs/dbraw/zinc/41/51/17/135415117.db2.gz HCKHUYAQNNPZLD-CHWSQXEVSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H]([NH2+]Cc1cc[nH]c1)c1ccc(F)c(F)c1 ZINC000080773443 135384880 /nfs/dbraw/zinc/38/48/80/135384880.db2.gz KSOZPCSNLRMSML-VIFPVBQESA-N 1 0 236.265 3.144 10 0 BGAERO C[C@@H]([NH2+]Cc1cc[nH]c1)c1ccc(F)c(F)c1 ZINC000080773447 135384939 /nfs/dbraw/zinc/38/49/39/135384939.db2.gz KSOZPCSNLRMSML-SECBINFHSA-N 1 0 236.265 3.144 10 0 BGAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000080773728 384583741 /nfs/dbraw/zinc/58/37/41/384583741.db2.gz DNZKHHDXOHFTBB-WDEREUQCSA-N 1 0 246.276 3.225 10 0 BGAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000080773732 384580927 /nfs/dbraw/zinc/58/09/27/384580927.db2.gz DNZKHHDXOHFTBB-QWRGUYRKSA-N 1 0 246.276 3.225 10 0 BGAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000080773735 180889512 /nfs/dbraw/zinc/88/95/12/180889512.db2.gz DNZKHHDXOHFTBB-GHMZBOCLSA-N 1 0 246.276 3.225 10 0 BGAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]Cc2cc[nH]c2)C1 ZINC000080773738 384581638 /nfs/dbraw/zinc/58/16/38/384581638.db2.gz DNZKHHDXOHFTBB-MNOVXSKESA-N 1 0 246.276 3.225 10 0 BGAERO CCOc1ccc(-c2nc([C@H](C)[NH3+])cs2)cc1 ZINC000080803933 170532968 /nfs/dbraw/zinc/53/29/68/170532968.db2.gz NCXHJKPHJAPDQU-VIFPVBQESA-N 1 0 248.351 3.229 10 0 BGAERO CCOc1ccccc1-c1nc([C@@H](C)[NH3+])cs1 ZINC000080804031 188312315 /nfs/dbraw/zinc/31/23/15/188312315.db2.gz AFHVCVMYXXFHCU-SECBINFHSA-N 1 0 248.351 3.229 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@H](C2CC2)C1 ZINC000081636862 491135723 /nfs/dbraw/zinc/13/57/23/491135723.db2.gz UBDCTPJOKWCUEH-ZNMIVQPWSA-N 1 0 237.387 3.114 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCC[C@@H](C2CC2)C1 ZINC000081636865 491135711 /nfs/dbraw/zinc/13/57/11/491135711.db2.gz UBDCTPJOKWCUEH-KFWWJZLASA-N 1 0 237.387 3.114 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@H](C2CC2)C1 ZINC000081636870 491135744 /nfs/dbraw/zinc/13/57/44/491135744.db2.gz UBDCTPJOKWCUEH-KKUMJFAQSA-N 1 0 237.387 3.114 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCC[C@@H](C2CC2)C1 ZINC000081636874 491135737 /nfs/dbraw/zinc/13/57/37/491135737.db2.gz UBDCTPJOKWCUEH-ILXRZTDVSA-N 1 0 237.387 3.114 10 0 BGAERO [NH3+]CC12C[C@H]3C[C@@H](C1)CC(C(F)(F)F)(C3)C2 ZINC000082164716 181364403 /nfs/dbraw/zinc/36/44/03/181364403.db2.gz GIXIOOSUIVMGTF-IXBNRNDTSA-N 1 0 233.277 3.094 10 0 BGAERO CCCCCOc1ccc2[nH]cnc2c1 ZINC000082229836 384649792 /nfs/dbraw/zinc/64/97/92/384649792.db2.gz YGFDLBWZZDEXFJ-UHFFFAOYSA-N 1 0 204.273 3.132 10 0 BGAERO [NH3+]C/C=C(/c1ccccc1)c1ccc(F)cc1 ZINC000082293872 181323788 /nfs/dbraw/zinc/32/37/88/181323788.db2.gz CWXHAMQWPIDKOL-GDNBJRDFSA-N 1 0 227.282 3.216 10 0 BGAERO CC[NH2+]Cc1ccc(-c2ccc(OC)cc2)o1 ZINC000082298061 170126562 /nfs/dbraw/zinc/12/65/62/170126562.db2.gz MHLJXDBOUQJKHO-UHFFFAOYSA-N 1 0 231.295 3.065 10 0 BGAERO CCCn1cc(SCC[NH3+])c2ccccc21 ZINC000082300960 169620530 /nfs/dbraw/zinc/62/05/30/169620530.db2.gz GMSQJRQUGADEBQ-UHFFFAOYSA-N 1 0 234.368 3.102 10 0 BGAERO Cc1cccc(C[NH2+]Cc2ccccc2N)c1C ZINC000082306028 179095724 /nfs/dbraw/zinc/09/57/24/179095724.db2.gz UXNPKFCHQGDZBV-UHFFFAOYSA-N 1 0 240.350 3.175 10 0 BGAERO Cc1ccc(C[NH2+]Cc2ccccc2N)c(C)c1 ZINC000082306029 384139600 /nfs/dbraw/zinc/13/96/00/384139600.db2.gz DDANQOOMWSNRIM-UHFFFAOYSA-N 1 0 240.350 3.175 10 0 BGAERO Cc1cccc(C)c1C[NH2+]Cc1ccccc1N ZINC000082306031 179037518 /nfs/dbraw/zinc/03/75/18/179037518.db2.gz DPIFPQPTPIVSJA-UHFFFAOYSA-N 1 0 240.350 3.175 10 0 BGAERO Nc1c[nH+]c2cccc(Sc3ccccc3)n12 ZINC000082306719 384663581 /nfs/dbraw/zinc/66/35/81/384663581.db2.gz UEYSNZLGSZQZDY-UHFFFAOYSA-N 1 0 241.319 3.068 10 0 BGAERO CC(C)C[NH2+][C@@H](CN)c1cccc2ccccc21 ZINC000082307602 167011866 /nfs/dbraw/zinc/01/18/66/167011866.db2.gz UEPJZIMEAXWXMG-INIZCTEOSA-N 1 0 242.366 3.085 10 0 BGAERO CC(C)C[NH2+][C@H](CN)c1cccc2ccccc21 ZINC000082307604 167013139 /nfs/dbraw/zinc/01/31/39/167013139.db2.gz UEPJZIMEAXWXMG-MRXNPFEDSA-N 1 0 242.366 3.085 10 0 BGAERO COc1ccc(-c2ccc(C[NH2+]C(C)C)o2)cc1 ZINC000082309775 175033258 /nfs/dbraw/zinc/03/32/58/175033258.db2.gz XGWLHMLYYINQPT-UHFFFAOYSA-N 1 0 245.322 3.453 10 0 BGAERO COc1cccc([C@]23CCCC[C@@H]2C[NH2+]CC3)c1 ZINC000082309852 175297824 /nfs/dbraw/zinc/29/78/24/175297824.db2.gz WALWPQBKMQZPCX-GDBMZVCRSA-N 1 0 245.366 3.117 10 0 BGAERO COc1cccc([C@@]23CCCC[C@H]2C[NH2+]CC3)c1 ZINC000082309855 175291700 /nfs/dbraw/zinc/29/17/00/175291700.db2.gz WALWPQBKMQZPCX-HOCLYGCPSA-N 1 0 245.366 3.117 10 0 BGAERO CCCCC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000082309859 187967677 /nfs/dbraw/zinc/96/76/77/187967677.db2.gz NDBAFMPPPUHDQR-UHFFFAOYSA-N 1 0 245.366 3.067 10 0 BGAERO Nc1ccccc1C[NH2+]Cc1ccccc1Cl ZINC000082310671 181754532 /nfs/dbraw/zinc/75/45/32/181754532.db2.gz ISQBDRJDLZPMCL-UHFFFAOYSA-N 1 0 246.741 3.212 10 0 BGAERO Nc1ccccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000082310673 384151743 /nfs/dbraw/zinc/15/17/43/384151743.db2.gz BJNYTKUDZJEQNB-UHFFFAOYSA-N 1 0 246.741 3.212 10 0 BGAERO Cc1cccc2sc([C@@H]3CCC[NH2+]3)nc21 ZINC000082320528 179234518 /nfs/dbraw/zinc/23/45/18/179234518.db2.gz DFTRCKXVHPWQOE-VIFPVBQESA-N 1 0 218.325 3.029 10 0 BGAERO Cc1cccc2sc([C@H]3CCC[NH2+]3)nc21 ZINC000082320530 179234830 /nfs/dbraw/zinc/23/48/30/179234830.db2.gz DFTRCKXVHPWQOE-SECBINFHSA-N 1 0 218.325 3.029 10 0 BGAERO Cc1ccc2nc([C@H]3CCCC[NH2+]3)sc2c1 ZINC000082320577 178981320 /nfs/dbraw/zinc/98/13/20/178981320.db2.gz INXJYUUGSJLWBR-LLVKDONJSA-N 1 0 232.352 3.419 10 0 BGAERO Cc1cccc2sc(C3CC[NH2+]CC3)nc21 ZINC000082320616 179234109 /nfs/dbraw/zinc/23/41/09/179234109.db2.gz ULHUZWLIKIASCD-UHFFFAOYSA-N 1 0 232.352 3.072 10 0 BGAERO Cc1cccc2sc([C@@H]3CCCC[NH2+]3)nc21 ZINC000082320618 179234021 /nfs/dbraw/zinc/23/40/21/179234021.db2.gz ULZKGNBKRQPTEQ-JTQLQIEISA-N 1 0 232.352 3.419 10 0 BGAERO Cc1cccc2sc([C@H]3CCCC[NH2+]3)nc21 ZINC000082320620 179233855 /nfs/dbraw/zinc/23/38/55/179233855.db2.gz ULZKGNBKRQPTEQ-SNVBAGLBSA-N 1 0 232.352 3.419 10 0 BGAERO Cc1cccc2sc([C@@H]3CCC[NH2+]C3)nc21 ZINC000082320622 179233819 /nfs/dbraw/zinc/23/38/19/179233819.db2.gz LYYARJAZYIZPBZ-SNVBAGLBSA-N 1 0 232.352 3.072 10 0 BGAERO Cc1cccc2sc([C@H]3CCC[NH2+]C3)nc21 ZINC000082320624 179234524 /nfs/dbraw/zinc/23/45/24/179234524.db2.gz LYYARJAZYIZPBZ-JTQLQIEISA-N 1 0 232.352 3.072 10 0 BGAERO CC(C)C[C@H]([NH3+])Cc1ccc2[nH]ccc2c1 ZINC000082321181 187621057 /nfs/dbraw/zinc/62/10/57/187621057.db2.gz UDZBQOZQYIJLCE-ZDUSSCGKSA-N 1 0 216.328 3.084 10 0 BGAERO CC(C)C[C@@H]([NH3+])Cc1ccc2[nH]ccc2c1 ZINC000082321183 187793674 /nfs/dbraw/zinc/79/36/74/187793674.db2.gz UDZBQOZQYIJLCE-CYBMUJFWSA-N 1 0 216.328 3.084 10 0 BGAERO [NH3+][C@@H](CC1CC1)c1cccc(Br)c1 ZINC000082327944 181541678 /nfs/dbraw/zinc/54/16/78/181541678.db2.gz GEWLRYOMLAPARU-NSHDSACASA-N 1 0 240.144 3.249 10 0 BGAERO CC[C@@]1(C)[NH2+]Cc2cccc(Br)c21 ZINC000082327946 171208833 /nfs/dbraw/zinc/20/88/33/171208833.db2.gz VOEGZVDSDJSRJM-LLVKDONJSA-N 1 0 240.144 3.178 10 0 BGAERO CC[C@@]1(C)[NH2+]Cc2c1cccc2Br ZINC000082327948 171209542 /nfs/dbraw/zinc/20/95/42/171209542.db2.gz JRRARAZLZQZFKK-LLVKDONJSA-N 1 0 240.144 3.178 10 0 BGAERO CC[C@@]1(C)[NH2+]Cc2cc(Br)ccc21 ZINC000082327950 171208745 /nfs/dbraw/zinc/20/87/45/171208745.db2.gz PRISEHDISHWIFS-LLVKDONJSA-N 1 0 240.144 3.178 10 0 BGAERO CC(C)[C@H]1[NH2+]Cc2ccc(Br)cc21 ZINC000082327956 167515736 /nfs/dbraw/zinc/51/57/36/167515736.db2.gz MJQAMAORBXQEEU-LLVKDONJSA-N 1 0 240.144 3.249 10 0 BGAERO CC(C)[C@@H]1[NH2+]Cc2ccc(Br)cc21 ZINC000082327957 187314427 /nfs/dbraw/zinc/31/44/27/187314427.db2.gz MJQAMAORBXQEEU-NSHDSACASA-N 1 0 240.144 3.249 10 0 BGAERO C[C@H]1[NH2+]CCCc2cccc(Br)c21 ZINC000082327960 177396740 /nfs/dbraw/zinc/39/67/40/177396740.db2.gz RQAPLDDUVPSNTI-MRVPVSSYSA-N 1 0 240.144 3.046 10 0 BGAERO CC[C@](C)([NH3+])c1ccsc1Br ZINC000082342586 171696742 /nfs/dbraw/zinc/69/67/42/171696742.db2.gz PZHOWTZQPCLKAE-QMMMGPOBSA-N 1 0 234.162 3.095 10 0 BGAERO CC[C@@](C)([NH3+])c1ccsc1Br ZINC000082342587 171171273 /nfs/dbraw/zinc/17/12/73/171171273.db2.gz PZHOWTZQPCLKAE-MRVPVSSYSA-N 1 0 234.162 3.095 10 0 BGAERO CC1(C)C[C@H]([NH3+])c2cc(F)cc(Cl)c2O1 ZINC000082348257 188293557 /nfs/dbraw/zinc/29/35/57/188293557.db2.gz QPNOMIASDDBKPR-VIFPVBQESA-N 1 0 229.682 3.040 10 0 BGAERO [NH3+][C@H](c1cccc(Cl)c1)[C@H]1CCSC1 ZINC000082351260 181632398 /nfs/dbraw/zinc/63/23/98/181632398.db2.gz DDYRUVWCAIMVNB-GXSJLCMTSA-N 1 0 227.760 3.093 10 0 BGAERO CC[C@@H]1[NH2+]Cc2cccc(Br)c21 ZINC000082360156 171150343 /nfs/dbraw/zinc/15/03/43/171150343.db2.gz VKLFCHGHCODIGY-VIFPVBQESA-N 1 0 226.117 3.003 10 0 BGAERO CC[C@@H]1[NH2+]Cc2c1cccc2Br ZINC000082360158 171149956 /nfs/dbraw/zinc/14/99/56/171149956.db2.gz SKQNQYGLLHOUTG-JTQLQIEISA-N 1 0 226.117 3.003 10 0 BGAERO Cc1cc(Cl)cc2c1OC(C)(C)C[C@H]2[NH3+] ZINC000082360247 178064644 /nfs/dbraw/zinc/06/46/44/178064644.db2.gz XPWFPKZWBMVDOJ-SNVBAGLBSA-N 1 0 225.719 3.209 10 0 BGAERO Cc1ccc(Cl)c2c1[C@H]([NH3+])CC(C)(C)O2 ZINC000082360248 178659536 /nfs/dbraw/zinc/65/95/36/178659536.db2.gz FQIDXWQWSKRMCK-SECBINFHSA-N 1 0 225.719 3.209 10 0 BGAERO Cc1nc([C@H]([NH3+])CC2CCCCC2)cs1 ZINC000082361300 180052493 /nfs/dbraw/zinc/05/24/93/180052493.db2.gz SLJVXABXNBERMC-LLVKDONJSA-N 1 0 224.373 3.422 10 0 BGAERO Cc1nc([C@@H]([NH3+])CC2CCCCC2)cs1 ZINC000082361301 180039654 /nfs/dbraw/zinc/03/96/54/180039654.db2.gz SLJVXABXNBERMC-NSHDSACASA-N 1 0 224.373 3.422 10 0 BGAERO COc1ccc(CCCCCC[NH3+])cc1C ZINC000082364024 188313029 /nfs/dbraw/zinc/31/30/29/188313029.db2.gz DMCQJALQPSIFDM-UHFFFAOYSA-N 1 0 221.344 3.065 10 0 BGAERO CC(C)c1cccc2c1OC(C)(C)C[C@@H]2[NH3+] ZINC000082366210 167637757 /nfs/dbraw/zinc/63/77/57/167637757.db2.gz LYCMPJXZCLEAJA-LBPRGKRZSA-N 1 0 219.328 3.371 10 0 BGAERO [NH3+]CCCCCCc1ccc2c(c1)CCC2 ZINC000082368826 181375114 /nfs/dbraw/zinc/37/51/14/181375114.db2.gz QZYOYODUVJHIRF-UHFFFAOYSA-N 1 0 217.356 3.237 10 0 BGAERO c1cc2cc(C3CC[NH2+]CC3)ccc2s1 ZINC000082368834 183374234 /nfs/dbraw/zinc/37/42/34/183374234.db2.gz LCYBAAHMTWUYQR-UHFFFAOYSA-N 1 0 217.337 3.368 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Cc1ccc(Cl)c(F)c1 ZINC000082370110 175811956 /nfs/dbraw/zinc/81/19/56/175811956.db2.gz JNXFPPDNYLLIOR-HTQZYQBOSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1csc(C(C)C)n1 ZINC000082372295 187265999 /nfs/dbraw/zinc/26/59/99/187265999.db2.gz VJXIUQNASOVBFB-SECBINFHSA-N 1 0 212.362 3.312 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)Cc1ccc(Cl)cc1 ZINC000082372950 171488926 /nfs/dbraw/zinc/48/89/26/171488926.db2.gz JEEBIDHEMGEQRH-SKDRFNHKSA-N 1 0 211.736 3.256 10 0 BGAERO Cc1nc([C@H]([NH3+])CC2CCCC2)cs1 ZINC000082374039 180052472 /nfs/dbraw/zinc/05/24/72/180052472.db2.gz IFVDASODWFMRMK-SNVBAGLBSA-N 1 0 210.346 3.032 10 0 BGAERO Cc1nc([C@@H]([NH3+])CC2CCCC2)cs1 ZINC000082374040 180040333 /nfs/dbraw/zinc/04/03/33/180040333.db2.gz IFVDASODWFMRMK-JTQLQIEISA-N 1 0 210.346 3.032 10 0 BGAERO CC1([C@@H]([NH3+])Cc2ccc(Cl)cc2)CC1 ZINC000082374712 168072005 /nfs/dbraw/zinc/07/20/05/168072005.db2.gz PAZUWNKLCJITJA-NSHDSACASA-N 1 0 209.720 3.010 10 0 BGAERO C[C@@H](C[NH3+])[C@@H](C)c1ccc(Cl)s1 ZINC000082380806 175712877 /nfs/dbraw/zinc/71/28/77/175712877.db2.gz NXNCVJDDYXCOJC-NKWVEPMBSA-N 1 0 203.738 3.100 10 0 BGAERO C[C@@H](c1ccc(Cl)s1)[C@H](C)C[NH3+] ZINC000082380807 176663083 /nfs/dbraw/zinc/66/30/83/176663083.db2.gz NXNCVJDDYXCOJC-RNFRBKRXSA-N 1 0 203.738 3.100 10 0 BGAERO C[C@@H](C[NH3+])[C@H](C)c1ccc(Cl)s1 ZINC000082380808 177032685 /nfs/dbraw/zinc/03/26/85/177032685.db2.gz NXNCVJDDYXCOJC-BQBZGAKWSA-N 1 0 203.738 3.100 10 0 BGAERO C[C@H](C[NH3+])[C@H](C)c1ccc(Cl)s1 ZINC000082380809 176662933 /nfs/dbraw/zinc/66/29/33/176662933.db2.gz NXNCVJDDYXCOJC-RQJHMYQMSA-N 1 0 203.738 3.100 10 0 BGAERO Cc1ccc(-c2sccc2C[NH3+])cc1 ZINC000082380849 178345135 /nfs/dbraw/zinc/34/51/35/178345135.db2.gz QMEPLYGYWFHYMS-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO [NH3+]C1(c2cc3ccccc3o2)CCCC1 ZINC000082382139 181334175 /nfs/dbraw/zinc/33/41/75/181334175.db2.gz XJPRMVSXHJSLLB-UHFFFAOYSA-N 1 0 201.269 3.161 10 0 BGAERO CC(C)[NH2+]Cc1cnc(CSC(C)C)s1 ZINC000082416484 167120189 /nfs/dbraw/zinc/12/01/89/167120189.db2.gz MADDCZQIEWEFJL-UHFFFAOYSA-N 1 0 244.429 3.283 10 0 BGAERO CCC[NH2+]Cc1cnc(CSC(C)C)s1 ZINC000082416485 169268773 /nfs/dbraw/zinc/26/87/73/169268773.db2.gz KMLXMBLOUVENSR-UHFFFAOYSA-N 1 0 244.429 3.284 10 0 BGAERO CCCSCc1ncc(C[NH2+]C(C)C)s1 ZINC000082416525 169340843 /nfs/dbraw/zinc/34/08/43/169340843.db2.gz XZQQKYYIJQELLR-UHFFFAOYSA-N 1 0 244.429 3.284 10 0 BGAERO CCC[NH2+]Cc1cnc(CSCCC)s1 ZINC000082416526 169269194 /nfs/dbraw/zinc/26/91/94/169269194.db2.gz TVLRXMHIAZHQTC-UHFFFAOYSA-N 1 0 244.429 3.286 10 0 BGAERO CCC[NH2+]Cc1sc(CSCC)nc1C ZINC000082420272 169268912 /nfs/dbraw/zinc/26/89/12/169268912.db2.gz CQOKZQSVLLNPED-UHFFFAOYSA-N 1 0 244.429 3.204 10 0 BGAERO CCCSCc1nc(C)c([C@@H](C)[NH3+])s1 ZINC000082420417 169340140 /nfs/dbraw/zinc/34/01/40/169340140.db2.gz MPMQRVFVIDPAKG-SSDOTTSWSA-N 1 0 230.402 3.114 10 0 BGAERO CCCSCc1nc(C)c([C@H](C)[NH3+])s1 ZINC000082420418 169340616 /nfs/dbraw/zinc/34/06/16/169340616.db2.gz MPMQRVFVIDPAKG-ZETCQYMHSA-N 1 0 230.402 3.114 10 0 BGAERO CCC[NH2+]Cc1sc(C(C)C)nc1CC ZINC000082422535 169268909 /nfs/dbraw/zinc/26/89/09/169268909.db2.gz MONKSUANEBKEQF-UHFFFAOYSA-N 1 0 226.389 3.329 10 0 BGAERO CC[NH2+]Cc1sc(-c2ccccc2)nc1CC ZINC000082422602 170132507 /nfs/dbraw/zinc/13/25/07/170132507.db2.gz YZIJLKNKNBAJGK-UHFFFAOYSA-N 1 0 246.379 3.482 10 0 BGAERO CCc1nc(Cc2ccccc2)sc1C[NH2+]C ZINC000082422674 171994453 /nfs/dbraw/zinc/99/44/53/171994453.db2.gz JQCQLLHWCUQCOL-UHFFFAOYSA-N 1 0 246.379 3.016 10 0 BGAERO CCC[NH2+]Cc1sc(CCC)nc1CC ZINC000082422782 169269411 /nfs/dbraw/zinc/26/94/11/169269411.db2.gz IXJYKGCXJCCGBF-UHFFFAOYSA-N 1 0 226.389 3.158 10 0 BGAERO CCCc1nc(CC)c(C[NH2+]CC(C)C)s1 ZINC000082422785 169588167 /nfs/dbraw/zinc/58/81/67/169588167.db2.gz SFVZREASYSKCOI-UHFFFAOYSA-N 1 0 240.416 3.404 10 0 BGAERO CCc1nc(-c2ccc(C)cc2)sc1C[NH2+]C ZINC000082422885 171937636 /nfs/dbraw/zinc/93/76/36/171937636.db2.gz UQGNXVNBLYODGF-UHFFFAOYSA-N 1 0 246.379 3.400 10 0 BGAERO CCc1nc(-c2cccc(C)c2)sc1C[NH2+]C ZINC000082422917 171938815 /nfs/dbraw/zinc/93/88/15/171938815.db2.gz LSDGNIJSDQGVGR-UHFFFAOYSA-N 1 0 246.379 3.400 10 0 BGAERO CCC[NH2+]Cc1sc(CSC)nc1CC ZINC000082423531 169269493 /nfs/dbraw/zinc/26/94/93/169269493.db2.gz USAJPWYFPJOKMO-UHFFFAOYSA-N 1 0 244.429 3.068 10 0 BGAERO CC[NH2+]Cc1sc(CSCC)nc1CC ZINC000082423568 170132729 /nfs/dbraw/zinc/13/27/29/170132729.db2.gz HHRVXKPLUKFLIV-UHFFFAOYSA-N 1 0 244.429 3.068 10 0 BGAERO CCCSCc1nc(CC)c(C[NH2+]C)s1 ZINC000082423651 169340214 /nfs/dbraw/zinc/34/02/14/169340214.db2.gz MOHMMFRNNYELHL-UHFFFAOYSA-N 1 0 244.429 3.068 10 0 BGAERO CCC[NH2+]Cc1sc(C2CC2)nc1CC ZINC000082423789 169268723 /nfs/dbraw/zinc/26/87/23/169268723.db2.gz BGQXHJQRGZHAHY-UHFFFAOYSA-N 1 0 224.373 3.083 10 0 BGAERO CC[NH2+]Cc1sc(CC(C)C)nc1CC ZINC000082423847 170133115 /nfs/dbraw/zinc/13/31/15/170133115.db2.gz OSHJRFWFNFEYLL-UHFFFAOYSA-N 1 0 226.389 3.014 10 0 BGAERO CCC[NH2+]Cc1sc(CC(C)C)nc1CC ZINC000082423849 169269622 /nfs/dbraw/zinc/26/96/22/169269622.db2.gz PDGAUPXGNSJAAZ-UHFFFAOYSA-N 1 0 240.416 3.404 10 0 BGAERO CC[NH2+]Cc1sc(C(C)(C)C)nc1CC ZINC000082423892 170132838 /nfs/dbraw/zinc/13/28/38/170132838.db2.gz PDMCXQWSCJFDFJ-UHFFFAOYSA-N 1 0 226.389 3.113 10 0 BGAERO CCc1nc(-c2cccs2)sc1C[NH2+]C ZINC000082424669 171938877 /nfs/dbraw/zinc/93/88/77/171938877.db2.gz BEZRHSUBYJTORK-UHFFFAOYSA-N 1 0 238.381 3.153 10 0 BGAERO CC[NH2+]Cc1sc(-c2ccco2)nc1CC ZINC000082424706 170133022 /nfs/dbraw/zinc/13/30/22/170133022.db2.gz PEDJXXDCWZLYRJ-UHFFFAOYSA-N 1 0 236.340 3.075 10 0 BGAERO CCC[NH2+]Cc1sc(CC)nc1CCC ZINC000082426432 169269297 /nfs/dbraw/zinc/26/92/97/169269297.db2.gz KSUGLIRHQSMXKY-UHFFFAOYSA-N 1 0 226.389 3.158 10 0 BGAERO CCCc1nc(-c2ccccc2)sc1C[NH2+]C ZINC000082426731 169582098 /nfs/dbraw/zinc/58/20/98/169582098.db2.gz MFIYUKSBOADRIN-UHFFFAOYSA-N 1 0 246.379 3.482 10 0 BGAERO CCCSCc1nc(CCC)c(C[NH3+])s1 ZINC000082427874 169340838 /nfs/dbraw/zinc/34/08/38/169340838.db2.gz RKCNQDSQNPYSQS-UHFFFAOYSA-N 1 0 244.429 3.198 10 0 BGAERO CCC[NH2+]Cc1sc(C2CC2)nc1CCC ZINC000082427967 169269639 /nfs/dbraw/zinc/26/96/39/169269639.db2.gz CGUPMBZXHCSHAG-UHFFFAOYSA-N 1 0 238.400 3.473 10 0 BGAERO Cc1nc(C(C)C)c(C[NH2+]C(C)C)s1 ZINC000082429315 179893271 /nfs/dbraw/zinc/89/32/71/179893271.db2.gz DSDCZSSTRMNKKK-UHFFFAOYSA-N 1 0 212.362 3.073 10 0 BGAERO CCC[NH2+]Cc1sc(C)nc1C(C)C ZINC000082429316 169268817 /nfs/dbraw/zinc/26/88/17/169268817.db2.gz UXIZYYGWPHIRHI-UHFFFAOYSA-N 1 0 212.362 3.075 10 0 BGAERO CCC[NH2+]Cc1sc(CC)nc1C(C)C ZINC000082429364 169269600 /nfs/dbraw/zinc/26/96/00/169269600.db2.gz WXDOJECOBUSXNQ-UHFFFAOYSA-N 1 0 226.389 3.329 10 0 BGAERO CC[NH2+]Cc1sc(C(C)C)nc1C(C)C ZINC000082429444 170132994 /nfs/dbraw/zinc/13/29/94/170132994.db2.gz MFORVGWYFXSZJW-UHFFFAOYSA-N 1 0 226.389 3.499 10 0 BGAERO CC(C)SCc1nc(C(C)C)c(C[NH3+])s1 ZINC000082430203 167336048 /nfs/dbraw/zinc/33/60/48/167336048.db2.gz PKMLAUVEGRDZOB-UHFFFAOYSA-N 1 0 244.429 3.367 10 0 BGAERO CCCSCc1nc(C(C)C)c(C[NH3+])s1 ZINC000082430230 169340495 /nfs/dbraw/zinc/34/04/95/169340495.db2.gz LWCQYBCIGSJIFB-UHFFFAOYSA-N 1 0 244.429 3.368 10 0 BGAERO CC[NH2+]Cc1sc(C2CC2)nc1C(C)C ZINC000082430361 170133125 /nfs/dbraw/zinc/13/31/25/170133125.db2.gz PMUJPIYDPNMYBE-UHFFFAOYSA-N 1 0 224.373 3.253 10 0 BGAERO CC[NH2+]Cc1sc(CSC)nc1C(C)C ZINC000082432665 170132712 /nfs/dbraw/zinc/13/27/12/170132712.db2.gz WMXFVTRYIYMMOI-UHFFFAOYSA-N 1 0 244.429 3.239 10 0 BGAERO CCC[NH2+]Cc1sc(CC)nc1C1CC1 ZINC000082435145 169268734 /nfs/dbraw/zinc/26/87/34/169268734.db2.gz RIPTUTOLIKODDK-UHFFFAOYSA-N 1 0 224.373 3.083 10 0 BGAERO Cc1ccccc1-c1nc(C2CC2)c(C[NH3+])s1 ZINC000082435218 179238133 /nfs/dbraw/zinc/23/81/33/179238133.db2.gz FDZDDSQGDRKTIX-UHFFFAOYSA-N 1 0 244.363 3.455 10 0 BGAERO CC[NH2+]Cc1sc(C(C)C)nc1C1CC1 ZINC000082435230 170132630 /nfs/dbraw/zinc/13/26/30/170132630.db2.gz YGOZJQKTNRVZPZ-UHFFFAOYSA-N 1 0 224.373 3.253 10 0 BGAERO CCC[NH2+]Cc1sc(CCC)nc1C1CC1 ZINC000082435416 169269341 /nfs/dbraw/zinc/26/93/41/169269341.db2.gz OZHRYLHZPUGACA-UHFFFAOYSA-N 1 0 238.400 3.473 10 0 BGAERO Cc1ccc(-c2nc(C3CC3)c(C[NH3+])s2)cc1 ZINC000082435589 178333055 /nfs/dbraw/zinc/33/30/55/178333055.db2.gz NXEUVRQOHYXPIV-UHFFFAOYSA-N 1 0 244.363 3.455 10 0 BGAERO CC(C)SCc1nc(C2CC2)c(C[NH3+])s1 ZINC000082436142 167335835 /nfs/dbraw/zinc/33/58/35/167335835.db2.gz ZUBXPKPCQLVEBU-UHFFFAOYSA-N 1 0 242.413 3.121 10 0 BGAERO CC[NH2+]Cc1sc(C2CC2)nc1C1CC1 ZINC000082436272 170132813 /nfs/dbraw/zinc/13/28/13/170132813.db2.gz XIQCEDHFGNBJDH-UHFFFAOYSA-N 1 0 222.357 3.007 10 0 BGAERO CC(C)[NH2+]Cc1sc(C2CC2)nc1C1CC1 ZINC000082436273 167122855 /nfs/dbraw/zinc/12/28/55/167122855.db2.gz JUYUZBQJAJZNGA-UHFFFAOYSA-N 1 0 236.384 3.396 10 0 BGAERO CC[NH2+]Cc1sc(CC(C)C)nc1C1CC1 ZINC000082436297 170132746 /nfs/dbraw/zinc/13/27/46/170132746.db2.gz VCDNQWMEUYWKNO-UHFFFAOYSA-N 1 0 238.400 3.329 10 0 BGAERO CC[NH2+]Cc1sc(C(C)(C)C)nc1C1CC1 ZINC000082436336 170133024 /nfs/dbraw/zinc/13/30/24/170133024.db2.gz XISDXJPCFCPZDZ-UHFFFAOYSA-N 1 0 238.400 3.428 10 0 BGAERO CC[NH2+]Cc1sc(-c2ccco2)nc1C1CC1 ZINC000082436846 170132431 /nfs/dbraw/zinc/13/24/31/170132431.db2.gz NBQYJLRQFMUQIK-UHFFFAOYSA-N 1 0 248.351 3.390 10 0 BGAERO CCC[NH2+]Cc1sc(C)nc1C(C)(C)C ZINC000082438446 169269190 /nfs/dbraw/zinc/26/91/90/169269190.db2.gz RBZBMTRIPAZKCN-UHFFFAOYSA-N 1 0 226.389 3.249 10 0 BGAERO CC[NH2+]Cc1sc(CC)nc1C(C)(C)C ZINC000082438568 170132555 /nfs/dbraw/zinc/13/25/55/170132555.db2.gz GHNDLPWITBJZDT-UHFFFAOYSA-N 1 0 226.389 3.113 10 0 BGAERO CC[NH2+]Cc1sc(C2CC2)nc1C(C)(C)C ZINC000082439908 170133102 /nfs/dbraw/zinc/13/31/02/170133102.db2.gz DKDUOVJZKBQUAV-UHFFFAOYSA-N 1 0 238.400 3.428 10 0 BGAERO CC(C)Cc1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000082440009 187266150 /nfs/dbraw/zinc/26/61/50/187266150.db2.gz RQFRFVNCMXXMBB-UHFFFAOYSA-N 1 0 226.389 3.098 10 0 BGAERO CC(C)(C)c1nc(-c2ccco2)sc1C[NH3+] ZINC000082440591 188138235 /nfs/dbraw/zinc/13/82/35/188138235.db2.gz VFRZFCOOHNQFSZ-UHFFFAOYSA-N 1 0 236.340 3.159 10 0 BGAERO CC[C@H]([NH2+]C)[C@@H](C)Cc1cccc(F)c1 ZINC000082443299 171513574 /nfs/dbraw/zinc/51/35/74/171513574.db2.gz KLFZSMPQYWTZMP-GWCFXTLKSA-N 1 0 209.308 3.002 10 0 BGAERO CC[C@@H]([NH2+]C)[C@H](C)Cc1cccc(F)c1 ZINC000082443302 170889051 /nfs/dbraw/zinc/88/90/51/170889051.db2.gz KLFZSMPQYWTZMP-ZWNOBZJWSA-N 1 0 209.308 3.002 10 0 BGAERO CC[NH2+][C@@H](CC(C)C)c1cccc(C)n1 ZINC000082451727 170143895 /nfs/dbraw/zinc/14/38/95/170143895.db2.gz RRLVFQJMZZWWQC-ZDUSSCGKSA-N 1 0 206.333 3.087 10 0 BGAERO CC[NH2+][C@H](CC(C)C)c1cccc(C)n1 ZINC000082451729 170160724 /nfs/dbraw/zinc/16/07/24/170160724.db2.gz RRLVFQJMZZWWQC-CYBMUJFWSA-N 1 0 206.333 3.087 10 0 BGAERO CCCCC[C@H]([NH2+]C)c1cccc(C)n1 ZINC000082458947 168744688 /nfs/dbraw/zinc/74/46/88/168744688.db2.gz ARQDKGGCCWHBEO-LBPRGKRZSA-N 1 0 206.333 3.231 10 0 BGAERO CCCCC[C@@H]([NH2+]C)c1cccc(C)n1 ZINC000082458948 168740497 /nfs/dbraw/zinc/74/04/97/168740497.db2.gz ARQDKGGCCWHBEO-GFCCVEGCSA-N 1 0 206.333 3.231 10 0 BGAERO CCCC[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000082503002 643330498 /nfs/dbraw/zinc/33/04/98/643330498.db2.gz KPABYODQLIHETR-CYBMUJFWSA-N 1 0 219.328 3.208 10 0 BGAERO CCCC[NH2+][C@H]1CCOc2c(C)cccc21 ZINC000082503004 643331158 /nfs/dbraw/zinc/33/11/58/643331158.db2.gz KPABYODQLIHETR-ZDUSSCGKSA-N 1 0 219.328 3.208 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1ccc(C)c(F)c1 ZINC000082503911 169262289 /nfs/dbraw/zinc/26/22/89/169262289.db2.gz QTONCIQLAXKLJH-QWHCGFSZSA-N 1 0 221.319 3.237 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@H]1c1ccc(C)c(F)c1 ZINC000082503912 169264492 /nfs/dbraw/zinc/26/44/92/169264492.db2.gz QTONCIQLAXKLJH-CHWSQXEVSA-N 1 0 221.319 3.237 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@H]1c1ccc(C)c(F)c1 ZINC000082503914 169263960 /nfs/dbraw/zinc/26/39/60/169263960.db2.gz QTONCIQLAXKLJH-STQMWFEESA-N 1 0 221.319 3.237 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@H]1c1ccc(C)c(F)c1 ZINC000082503915 169264849 /nfs/dbraw/zinc/26/48/49/169264849.db2.gz QTONCIQLAXKLJH-OLZOCXBDSA-N 1 0 221.319 3.237 10 0 BGAERO CC[NH2+]CCCCOc1ccccc1SC ZINC000082504479 170112256 /nfs/dbraw/zinc/11/22/56/170112256.db2.gz HNECKRGHIRSEML-UHFFFAOYSA-N 1 0 239.384 3.177 10 0 BGAERO CC[NH2+][C@@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000082504933 170149488 /nfs/dbraw/zinc/14/94/88/170149488.db2.gz FVFZQHSARVLZGN-GFCCVEGCSA-N 1 0 219.328 3.207 10 0 BGAERO CC[NH2+][C@H]1CC(C)(C)Oc2cc(C)ccc21 ZINC000082504934 170165617 /nfs/dbraw/zinc/16/56/17/170165617.db2.gz FVFZQHSARVLZGN-LBPRGKRZSA-N 1 0 219.328 3.207 10 0 BGAERO CC[NH2+][C@@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000082505018 170149684 /nfs/dbraw/zinc/14/96/84/170149684.db2.gz IAHCKVWQMRYIKP-GFCCVEGCSA-N 1 0 219.328 3.207 10 0 BGAERO CC[NH2+][C@H]1CC(C)(C)Oc2ccc(C)cc21 ZINC000082505021 170165601 /nfs/dbraw/zinc/16/56/01/170165601.db2.gz IAHCKVWQMRYIKP-LBPRGKRZSA-N 1 0 219.328 3.207 10 0 BGAERO CC[NH2+][C@@H]1CC(C)(C)Oc2ccc(CC)cc21 ZINC000082505075 170149132 /nfs/dbraw/zinc/14/91/32/170149132.db2.gz NLRLJGREWRRWSF-CYBMUJFWSA-N 1 0 233.355 3.461 10 0 BGAERO CC[NH2+][C@H]1CC(C)(C)Oc2ccc(CC)cc21 ZINC000082505077 170165710 /nfs/dbraw/zinc/16/57/10/170165710.db2.gz NLRLJGREWRRWSF-ZDUSSCGKSA-N 1 0 233.355 3.461 10 0 BGAERO C[NH2+][C@H]1CC(C)(C)Oc2c(C)cc(C)cc21 ZINC000082505288 173459688 /nfs/dbraw/zinc/45/96/88/173459688.db2.gz JLUALSFWHHXNSC-LBPRGKRZSA-N 1 0 219.328 3.125 10 0 BGAERO C[NH2+][C@H]1CC(C)(C)Oc2cc(C)cc(C)c21 ZINC000082505385 173459494 /nfs/dbraw/zinc/45/94/94/173459494.db2.gz VWHNZKMTEVFOBB-NSHDSACASA-N 1 0 219.328 3.125 10 0 BGAERO CC[NH2+][C@@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000082505520 170149283 /nfs/dbraw/zinc/14/92/83/170149283.db2.gz KLYXKMSGNCPKFF-LLVKDONJSA-N 1 0 223.291 3.037 10 0 BGAERO CC[NH2+][C@H]1CC(C)(C)Oc2ccc(F)cc21 ZINC000082505522 170165621 /nfs/dbraw/zinc/16/56/21/170165621.db2.gz KLYXKMSGNCPKFF-NSHDSACASA-N 1 0 223.291 3.037 10 0 BGAERO CC[NH2+][C@@H]1CC(C)(C)Oc2ccc(OCC)cc21 ZINC000082505859 170149747 /nfs/dbraw/zinc/14/97/47/170149747.db2.gz LUUCZIRREQHXSA-CYBMUJFWSA-N 1 0 249.354 3.297 10 0 BGAERO CC[NH2+][C@H]1CC(C)(C)Oc2ccc(OCC)cc21 ZINC000082505860 170166084 /nfs/dbraw/zinc/16/60/84/170166084.db2.gz LUUCZIRREQHXSA-ZDUSSCGKSA-N 1 0 249.354 3.297 10 0 BGAERO CCCOc1ccc2c(c1)[C@H]([NH2+]C)CC(C)(C)O2 ZINC000082505896 169323134 /nfs/dbraw/zinc/32/31/34/169323134.db2.gz HULCKJSBNQEDRW-CYBMUJFWSA-N 1 0 249.354 3.297 10 0 BGAERO CCCOc1ccc2c(c1)[C@@H]([NH2+]C)CC(C)(C)O2 ZINC000082505898 169322976 /nfs/dbraw/zinc/32/29/76/169322976.db2.gz HULCKJSBNQEDRW-ZDUSSCGKSA-N 1 0 249.354 3.297 10 0 BGAERO CCCOc1ccc2c(c1)[C@H]([NH3+])CC(C)(C)O2 ZINC000082505926 169323534 /nfs/dbraw/zinc/32/35/34/169323534.db2.gz DKWYTKRARNWWLP-GFCCVEGCSA-N 1 0 235.327 3.036 10 0 BGAERO CCCOc1ccc2c(c1)[C@@H]([NH3+])CC(C)(C)O2 ZINC000082505927 169323378 /nfs/dbraw/zinc/32/33/78/169323378.db2.gz DKWYTKRARNWWLP-LBPRGKRZSA-N 1 0 235.327 3.036 10 0 BGAERO CC[NH2+][C@H]1C[C@@](C)(CC)Oc2ccccc21 ZINC000082506535 170169788 /nfs/dbraw/zinc/16/97/88/170169788.db2.gz CVTQVIGYZYHGJQ-GXTWGEPZSA-N 1 0 219.328 3.288 10 0 BGAERO CC[NH2+][C@H]1C[C@](C)(CC)Oc2ccccc21 ZINC000082506537 170169483 /nfs/dbraw/zinc/16/94/83/170169483.db2.gz CVTQVIGYZYHGJQ-JSGCOSHPSA-N 1 0 219.328 3.288 10 0 BGAERO CC[NH2+][C@@H]1C[C@@](C)(CC)Oc2ccccc21 ZINC000082506540 170154051 /nfs/dbraw/zinc/15/40/51/170154051.db2.gz CVTQVIGYZYHGJQ-TZMCWYRMSA-N 1 0 219.328 3.288 10 0 BGAERO CC[NH2+][C@@H]1C[C@](C)(CC)Oc2ccccc21 ZINC000082506542 170153464 /nfs/dbraw/zinc/15/34/64/170153464.db2.gz CVTQVIGYZYHGJQ-OCCSQVGLSA-N 1 0 219.328 3.288 10 0 BGAERO CC[C@@]1(C)C[C@@H]([NH2+]C)c2cc(C)ccc2O1 ZINC000082506890 171206531 /nfs/dbraw/zinc/20/65/31/171206531.db2.gz FKLQUIHXEJZGGB-OCCSQVGLSA-N 1 0 219.328 3.207 10 0 BGAERO CC[C@@]1(C)C[C@@H]([NH3+])c2cc(Cl)ccc2O1 ZINC000082507441 171206430 /nfs/dbraw/zinc/20/64/30/171206430.db2.gz NYMUVNFKFKKGBO-PWSUYJOCSA-N 1 0 225.719 3.291 10 0 BGAERO CC[C@@]1(C)C[C@@H]([NH2+]C)c2cc(F)ccc2O1 ZINC000082507445 171205826 /nfs/dbraw/zinc/20/58/26/171205826.db2.gz VVWGYIGSKBXTBI-YPMHNXCESA-N 1 0 223.291 3.037 10 0 BGAERO CC[NH2+][C@H]1C[C@@](C)(CC)Oc2ccc(F)cc21 ZINC000082507446 170170017 /nfs/dbraw/zinc/17/00/17/170170017.db2.gz VRJJAKDSZMAELN-GXTWGEPZSA-N 1 0 237.318 3.428 10 0 BGAERO CC[NH2+][C@H]1C[C@](C)(CC)Oc2ccc(F)cc21 ZINC000082507447 170169745 /nfs/dbraw/zinc/16/97/45/170169745.db2.gz VRJJAKDSZMAELN-JSGCOSHPSA-N 1 0 237.318 3.428 10 0 BGAERO CC[NH2+][C@@H]1C[C@@](C)(CC)Oc2ccc(F)cc21 ZINC000082507448 170154368 /nfs/dbraw/zinc/15/43/68/170154368.db2.gz VRJJAKDSZMAELN-TZMCWYRMSA-N 1 0 237.318 3.428 10 0 BGAERO CC[NH2+][C@@H]1C[C@](C)(CC)Oc2ccc(F)cc21 ZINC000082507449 170153888 /nfs/dbraw/zinc/15/38/88/170153888.db2.gz VRJJAKDSZMAELN-OCCSQVGLSA-N 1 0 237.318 3.428 10 0 BGAERO CC[NH2+][C@H]1C[C@@](C)(CC)Oc2cc(OC)ccc21 ZINC000082507566 170169541 /nfs/dbraw/zinc/16/95/41/170169541.db2.gz DNXXYBYKILROMW-DZGCQCFKSA-N 1 0 249.354 3.297 10 0 BGAERO CC[NH2+][C@H]1C[C@](C)(CC)Oc2cc(OC)ccc21 ZINC000082507567 170169390 /nfs/dbraw/zinc/16/93/90/170169390.db2.gz DNXXYBYKILROMW-ZFWWWQNUSA-N 1 0 249.354 3.297 10 0 BGAERO CC[NH2+][C@@H]1C[C@@](C)(CC)Oc2cc(OC)ccc21 ZINC000082507568 170154427 /nfs/dbraw/zinc/15/44/27/170154427.db2.gz DNXXYBYKILROMW-UKRRQHHQSA-N 1 0 249.354 3.297 10 0 BGAERO CC[NH2+][C@@H]1C[C@](C)(CC)Oc2cc(OC)ccc21 ZINC000082507569 170154072 /nfs/dbraw/zinc/15/40/72/170154072.db2.gz DNXXYBYKILROMW-HIFRSBDPSA-N 1 0 249.354 3.297 10 0 BGAERO CC[NH2+][C@H]1C[C@@](C)(CC)Oc2ccc(OC)cc21 ZINC000082507732 170169913 /nfs/dbraw/zinc/16/99/13/170169913.db2.gz SZZHRBPNJQTGIA-DZGCQCFKSA-N 1 0 249.354 3.297 10 0 BGAERO CC[NH2+][C@H]1C[C@](C)(CC)Oc2ccc(OC)cc21 ZINC000082507733 170169931 /nfs/dbraw/zinc/16/99/31/170169931.db2.gz SZZHRBPNJQTGIA-ZFWWWQNUSA-N 1 0 249.354 3.297 10 0 BGAERO CC[NH2+][C@@H]1C[C@@](C)(CC)Oc2ccc(OC)cc21 ZINC000082507734 170154094 /nfs/dbraw/zinc/15/40/94/170154094.db2.gz SZZHRBPNJQTGIA-UKRRQHHQSA-N 1 0 249.354 3.297 10 0 BGAERO CC[NH2+][C@@H]1C[C@](C)(CC)Oc2ccc(OC)cc21 ZINC000082507735 170153531 /nfs/dbraw/zinc/15/35/31/170153531.db2.gz SZZHRBPNJQTGIA-HIFRSBDPSA-N 1 0 249.354 3.297 10 0 BGAERO CC(C)C[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000082510441 167011118 /nfs/dbraw/zinc/01/11/18/167011118.db2.gz YQLKUOVTOWYING-GFCCVEGCSA-N 1 0 239.746 3.409 10 0 BGAERO CC(C)C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000082510442 167015050 /nfs/dbraw/zinc/01/50/50/167015050.db2.gz YQLKUOVTOWYING-LBPRGKRZSA-N 1 0 239.746 3.409 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1cc2ccccc2o1 ZINC000082516293 583861153 /nfs/dbraw/zinc/86/11/53/583861153.db2.gz LLTWDYZNKXWXPK-RNCFNFMXSA-N 1 0 203.285 3.479 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1cc2ccccc2o1 ZINC000082516294 583860563 /nfs/dbraw/zinc/86/05/63/583860563.db2.gz LLTWDYZNKXWXPK-ZANVPECISA-N 1 0 203.285 3.479 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000082516295 583860625 /nfs/dbraw/zinc/86/06/25/583860625.db2.gz LLTWDYZNKXWXPK-NOZJJQNGSA-N 1 0 203.285 3.479 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1cc2ccccc2o1 ZINC000082516296 583860642 /nfs/dbraw/zinc/86/06/42/583860642.db2.gz LLTWDYZNKXWXPK-TVQRCGJNSA-N 1 0 203.285 3.479 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@@H]1c1cccc(F)c1F ZINC000082523164 169262721 /nfs/dbraw/zinc/26/27/21/169262721.db2.gz KLGFVMZJIWHKMK-ONGXEEELSA-N 1 0 225.282 3.068 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@@H]1c1cccc(F)c1F ZINC000082523165 169264868 /nfs/dbraw/zinc/26/48/68/169264868.db2.gz KLGFVMZJIWHKMK-KOLCDFICSA-N 1 0 225.282 3.068 10 0 BGAERO CCC[NH2+]C[C@@H]1C[C@H]1c1cccc(F)c1F ZINC000082523166 169263518 /nfs/dbraw/zinc/26/35/18/169263518.db2.gz KLGFVMZJIWHKMK-GXSJLCMTSA-N 1 0 225.282 3.068 10 0 BGAERO CCC[NH2+]C[C@H]1C[C@H]1c1cccc(F)c1F ZINC000082523167 169264719 /nfs/dbraw/zinc/26/47/19/169264719.db2.gz KLGFVMZJIWHKMK-MWLCHTKSSA-N 1 0 225.282 3.068 10 0 BGAERO CC[C@@](C)([NH3+])c1ccc(F)c(Cl)c1 ZINC000082531582 171170901 /nfs/dbraw/zinc/17/09/01/171170901.db2.gz NDWGSDAAAMCRMD-SNVBAGLBSA-N 1 0 201.672 3.063 10 0 BGAERO CC[C@](C)([NH3+])c1cc(Cl)ccc1F ZINC000082531588 171695937 /nfs/dbraw/zinc/69/59/37/171695937.db2.gz GVRQJDLNLURBSZ-JTQLQIEISA-N 1 0 201.672 3.063 10 0 BGAERO CC[C@@](C)([NH3+])c1cc(Cl)ccc1F ZINC000082531589 171170778 /nfs/dbraw/zinc/17/07/78/171170778.db2.gz GVRQJDLNLURBSZ-SNVBAGLBSA-N 1 0 201.672 3.063 10 0 BGAERO Cc1ccc(-c2cscc2C[NH3+])cc1 ZINC000082531988 178331349 /nfs/dbraw/zinc/33/13/49/178331349.db2.gz DIGJKKRRESPMCX-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO CC(C)([NH3+])CCc1ccc(Cl)s1 ZINC000082532015 187828435 /nfs/dbraw/zinc/82/84/35/187828435.db2.gz CEOHAYUUWZEKBR-UHFFFAOYSA-N 1 0 203.738 3.071 10 0 BGAERO C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000082532021 388121456 /nfs/dbraw/zinc/12/14/56/388121456.db2.gz BCBZBYWWNAMKIH-LURJTMIESA-N 1 0 204.100 3.274 10 0 BGAERO C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000082532022 388121090 /nfs/dbraw/zinc/12/10/90/388121090.db2.gz BCBZBYWWNAMKIH-ZCFIWIBFSA-N 1 0 204.100 3.274 10 0 BGAERO CC(C)Cc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000082532475 188120560 /nfs/dbraw/zinc/12/05/60/188120560.db2.gz UNDITBHVPLWRJW-GFCCVEGCSA-N 1 0 205.345 3.165 10 0 BGAERO CC[NH2+]CCCc1cc(C)c(C)cc1C ZINC000082532484 170113520 /nfs/dbraw/zinc/11/35/20/170113520.db2.gz BYPQXFSKINCIMM-UHFFFAOYSA-N 1 0 205.345 3.154 10 0 BGAERO CSc1ccc([C@@H]2CCCC[NH2+]2)cc1 ZINC000082532952 385564355 /nfs/dbraw/zinc/56/43/55/385564355.db2.gz IDWWPJGTLQRQSL-LBPRGKRZSA-N 1 0 207.342 3.223 10 0 BGAERO CSc1ccc([C@H]2CCCC[NH2+]2)cc1 ZINC000082532953 385563807 /nfs/dbraw/zinc/56/38/07/385563807.db2.gz IDWWPJGTLQRQSL-GFCCVEGCSA-N 1 0 207.342 3.223 10 0 BGAERO CC(C)Sc1ccc(C(C)(C)[NH3+])cc1 ZINC000082533314 167337322 /nfs/dbraw/zinc/33/73/22/167337322.db2.gz LSLGFIFZOIGNOB-UHFFFAOYSA-N 1 0 209.358 3.381 10 0 BGAERO Fc1ccc([C@@H]2CCCC[NH2+]2)cc1Cl ZINC000082533892 180981690 /nfs/dbraw/zinc/98/16/90/180981690.db2.gz SOFGALCEKRLRAC-NSHDSACASA-N 1 0 213.683 3.294 10 0 BGAERO Fc1ccc(Cl)cc1[C@H]1CCCC[NH2+]1 ZINC000082533896 180972988 /nfs/dbraw/zinc/97/29/88/180972988.db2.gz KLTUKKYTSRRTDD-LLVKDONJSA-N 1 0 213.683 3.294 10 0 BGAERO [NH3+]C1(c2cc(Cl)ccc2F)CCCC1 ZINC000082533897 181333970 /nfs/dbraw/zinc/33/39/70/181333970.db2.gz BWDLDJRLKNZXPW-UHFFFAOYSA-N 1 0 213.683 3.207 10 0 BGAERO CC(C)(C[NH3+])Cc1ccc(F)c(Cl)c1 ZINC000082535143 187662343 /nfs/dbraw/zinc/66/23/43/187662343.db2.gz DNZSVXOIYIOKQK-UHFFFAOYSA-N 1 0 215.699 3.007 10 0 BGAERO CC(C)([NH3+])CCc1ccc(F)c(Cl)c1 ZINC000082535146 188354050 /nfs/dbraw/zinc/35/40/50/188354050.db2.gz RPZFRQMWFAXNTM-UHFFFAOYSA-N 1 0 215.699 3.149 10 0 BGAERO CC(C)[NH2+]CCc1ccc(F)c(Cl)c1 ZINC000082535148 167108518 /nfs/dbraw/zinc/10/85/18/167108518.db2.gz MFPPYADADSILKX-UHFFFAOYSA-N 1 0 215.699 3.020 10 0 BGAERO C[NH2+]CCCCc1ccc(F)c(Cl)c1 ZINC000082535150 173345919 /nfs/dbraw/zinc/34/59/19/173345919.db2.gz FBIHPGWJKIVUTG-UHFFFAOYSA-N 1 0 215.699 3.021 10 0 BGAERO CC(C)(C[NH3+])Cc1cc(Cl)ccc1F ZINC000082535154 188176795 /nfs/dbraw/zinc/17/67/95/188176795.db2.gz WSANPAAYSHBZKE-UHFFFAOYSA-N 1 0 215.699 3.007 10 0 BGAERO CC(C)([NH3+])CCc1cc(Cl)ccc1F ZINC000082535158 188354382 /nfs/dbraw/zinc/35/43/82/188354382.db2.gz CEUNHFMYCBJRPK-UHFFFAOYSA-N 1 0 215.699 3.149 10 0 BGAERO CC(C)[NH2+]CCc1cc(Cl)ccc1F ZINC000082535159 167109426 /nfs/dbraw/zinc/10/94/26/167109426.db2.gz VCWRUSLXNPEVRG-UHFFFAOYSA-N 1 0 215.699 3.020 10 0 BGAERO C[NH2+]CCCCc1cc(Cl)ccc1F ZINC000082535162 173345746 /nfs/dbraw/zinc/34/57/46/173345746.db2.gz WUHBGHLIFRASKE-UHFFFAOYSA-N 1 0 215.699 3.021 10 0 BGAERO Cc1scc(C[NH3+])c1-c1ccc(C)cc1 ZINC000082536278 178317203 /nfs/dbraw/zinc/31/72/03/178317203.db2.gz FXPOMHIWQHOTMR-UHFFFAOYSA-N 1 0 217.337 3.491 10 0 BGAERO Cc1ccc(-c2cscc2C[NH3+])cc1C ZINC000082536281 178332184 /nfs/dbraw/zinc/33/21/84/178332184.db2.gz QNPNBDLYSYTYOJ-UHFFFAOYSA-N 1 0 217.337 3.491 10 0 BGAERO COc1cc(C)cc(C)c1C1([NH3+])CCCC1 ZINC000082537460 187794165 /nfs/dbraw/zinc/79/41/65/187794165.db2.gz OANKQNVTOFRDSX-UHFFFAOYSA-N 1 0 219.328 3.040 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(C)c(Br)c1 ZINC000082541020 173418786 /nfs/dbraw/zinc/41/87/86/173418786.db2.gz QZWYCKKTXYVQQG-QMMMGPOBSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@H](C)c1ccc(Br)cc1C ZINC000082541022 173448709 /nfs/dbraw/zinc/44/87/09/173448709.db2.gz WXBUANMWJQWTKV-MRVPVSSYSA-N 1 0 228.133 3.038 10 0 BGAERO C[C@@H]([NH3+])c1cc(C(F)(F)F)ccc1Cl ZINC000082543609 175816270 /nfs/dbraw/zinc/81/62/70/175816270.db2.gz YJWDXKUMDAATTM-RXMQYKEDSA-N 1 0 223.625 3.379 10 0 BGAERO C[C@H]([NH3+])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000082544472 176775943 /nfs/dbraw/zinc/77/59/43/176775943.db2.gz MOUAJCCENYTTAF-YFKPBYRVSA-N 1 0 223.625 3.379 10 0 BGAERO C[C@@H]([NH3+])c1ccc(Cl)c(C(F)(F)F)c1 ZINC000082544473 384689106 /nfs/dbraw/zinc/68/91/06/384689106.db2.gz MOUAJCCENYTTAF-RXMQYKEDSA-N 1 0 223.625 3.379 10 0 BGAERO [NH3+]CCCCc1nc(-c2ccccc2)cs1 ZINC000082546762 181378907 /nfs/dbraw/zinc/37/89/07/181378907.db2.gz LOGSRKTYUBGVMQ-UHFFFAOYSA-N 1 0 232.352 3.092 10 0 BGAERO CC[C@@](C)([NH3+])c1ccc(Br)s1 ZINC000082547315 171171022 /nfs/dbraw/zinc/17/10/22/171171022.db2.gz YPNIMYYVOQMNFX-MRVPVSSYSA-N 1 0 234.162 3.095 10 0 BGAERO CC[C@](C)([NH3+])c1cc(Br)cs1 ZINC000082547316 171695287 /nfs/dbraw/zinc/69/52/87/171695287.db2.gz MUFYTJABQYKXIX-QMMMGPOBSA-N 1 0 234.162 3.095 10 0 BGAERO CC[C@@](C)([NH3+])c1cc(Br)cs1 ZINC000082547317 171171318 /nfs/dbraw/zinc/17/13/18/171171318.db2.gz MUFYTJABQYKXIX-MRVPVSSYSA-N 1 0 234.162 3.095 10 0 BGAERO [NH3+]CCCCc1nc(-c2cccs2)cs1 ZINC000082549269 181378551 /nfs/dbraw/zinc/37/85/51/181378551.db2.gz KYJCJEPVKBSDIC-UHFFFAOYSA-N 1 0 238.381 3.153 10 0 BGAERO Cc1ccc([C@@H]([NH3+])C(C)C)cc1Br ZINC000082551627 178857644 /nfs/dbraw/zinc/85/76/44/178857644.db2.gz IHWNJHPIRUWXLH-NSHDSACASA-N 1 0 242.160 3.413 10 0 BGAERO Cc1cc([C@H]([NH3+])C(C)C)ccc1Br ZINC000082551630 178260796 /nfs/dbraw/zinc/26/07/96/178260796.db2.gz PNJRMKCNPZGHJQ-LLVKDONJSA-N 1 0 242.160 3.413 10 0 BGAERO Cc1cc([C@@H]([NH3+])C(C)C)ccc1Br ZINC000082551631 178235688 /nfs/dbraw/zinc/23/56/88/178235688.db2.gz PNJRMKCNPZGHJQ-NSHDSACASA-N 1 0 242.160 3.413 10 0 BGAERO [NH3+]CCc1cc(-c2ccc(Cl)s2)ns1 ZINC000082552106 181411532 /nfs/dbraw/zinc/41/15/32/181411532.db2.gz ABGYONPNOXAUQO-UHFFFAOYSA-N 1 0 244.772 3.026 10 0 BGAERO CC(C)[NH2+]CC(=O)c1cc(Cl)ccc1Cl ZINC000082552643 167097338 /nfs/dbraw/zinc/09/73/38/167097338.db2.gz HJZZZGYZEYHYQB-UHFFFAOYSA-N 1 0 246.137 3.174 10 0 BGAERO CC(C)[NH2+]CC(=O)c1cccc(Cl)c1Cl ZINC000082552645 167098133 /nfs/dbraw/zinc/09/81/33/167098133.db2.gz QSKWQAYNMKWQDP-UHFFFAOYSA-N 1 0 246.137 3.174 10 0 BGAERO Cc1ccc(-c2csc(CCCC[NH3+])n2)cc1 ZINC000082553215 178330358 /nfs/dbraw/zinc/33/03/58/178330358.db2.gz QPSHNZYKWPATIQ-UHFFFAOYSA-N 1 0 246.379 3.400 10 0 BGAERO CC(C)([NH3+])CCc1ccc(Br)s1 ZINC000082553885 188177242 /nfs/dbraw/zinc/17/72/42/188177242.db2.gz LSOQEUKSJWIUMR-UHFFFAOYSA-N 1 0 248.189 3.181 10 0 BGAERO CC(C)([NH3+])CCc1cc(Br)cs1 ZINC000082553886 188177001 /nfs/dbraw/zinc/17/70/01/188177001.db2.gz ZKXQXTODQMUYPU-UHFFFAOYSA-N 1 0 248.189 3.181 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1ccc(F)c(Cl)c1 ZINC000082595825 167397047 /nfs/dbraw/zinc/39/70/47/167397047.db2.gz FVLAYRSKALZRJH-SECBINFHSA-N 1 0 215.699 3.177 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1cc(Cl)ccc1F ZINC000082595829 167396453 /nfs/dbraw/zinc/39/64/53/167396453.db2.gz KJTLLRRQMZKPDJ-SNVBAGLBSA-N 1 0 215.699 3.177 10 0 BGAERO CC(C)[C@H](C[NH3+])c1cc(Cl)ccc1F ZINC000082595831 187662224 /nfs/dbraw/zinc/66/22/24/187662224.db2.gz KJTLLRRQMZKPDJ-JTQLQIEISA-N 1 0 215.699 3.177 10 0 BGAERO Cc1cccc2c([C@@H](C[NH3+])C(C)C)c[nH]c21 ZINC000082596140 179211906 /nfs/dbraw/zinc/21/19/06/179211906.db2.gz CRCMGVAVLOIJLG-LBPRGKRZSA-N 1 0 216.328 3.175 10 0 BGAERO Cc1cccc2c([C@H](C[NH3+])C(C)C)c[nH]c21 ZINC000082596143 179211740 /nfs/dbraw/zinc/21/17/40/179211740.db2.gz CRCMGVAVLOIJLG-GFCCVEGCSA-N 1 0 216.328 3.175 10 0 BGAERO CCc1cccc2c(CC[C@@H](C)[NH3+])c[nH]c21 ZINC000082596300 384825990 /nfs/dbraw/zinc/82/59/90/384825990.db2.gz LQEMKQFKQJBBFI-SNVBAGLBSA-N 1 0 216.328 3.010 10 0 BGAERO CCc1cccc2c(CC[C@H](C)[NH3+])c[nH]c21 ZINC000082596302 384826411 /nfs/dbraw/zinc/82/64/11/384826411.db2.gz LQEMKQFKQJBBFI-JTQLQIEISA-N 1 0 216.328 3.010 10 0 BGAERO Cc1cc(C)c(C[C@@H]2CCCC[NH2+]2)cc1C ZINC000082596877 177863663 /nfs/dbraw/zinc/86/36/63/177863663.db2.gz ZJDAPNHJWUXEQP-HNNXBMFYSA-N 1 0 217.356 3.296 10 0 BGAERO COc1cc(C)cc(C)c1[C@H]([NH3+])C1CCC1 ZINC000082597981 174964759 /nfs/dbraw/zinc/96/47/59/174964759.db2.gz SWKPKYDJAUKEEN-CQSZACIVSA-N 1 0 219.328 3.112 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1c[nH]c2c1cccc2F ZINC000082598452 167397084 /nfs/dbraw/zinc/39/70/84/167397084.db2.gz NIGIZTXDYWIGFI-SNVBAGLBSA-N 1 0 220.291 3.005 10 0 BGAERO CC(C)[C@H](C[NH3+])c1c[nH]c2c1cccc2F ZINC000082598454 188139368 /nfs/dbraw/zinc/13/93/68/188139368.db2.gz NIGIZTXDYWIGFI-JTQLQIEISA-N 1 0 220.291 3.005 10 0 BGAERO CC(C)Oc1ccc(C(C)(C)CC[NH3+])cc1 ZINC000082599257 167292786 /nfs/dbraw/zinc/29/27/86/167292786.db2.gz SKYZLANZBOZPRA-UHFFFAOYSA-N 1 0 221.344 3.100 10 0 BGAERO CSc1ccc(CC[NH2+]C(C)(C)C)cc1 ZINC000082600058 187622321 /nfs/dbraw/zinc/62/23/21/187622321.db2.gz ADRLOEJJDYQSLU-UHFFFAOYSA-N 1 0 223.385 3.339 10 0 BGAERO [NH3+]CC1(c2ccc(F)cc2F)CCCCC1 ZINC000082600238 181363065 /nfs/dbraw/zinc/36/30/65/181363065.db2.gz UIMSKEFKUBLQCU-UHFFFAOYSA-N 1 0 225.282 3.125 10 0 BGAERO Cc1ccc([C@H](C[NH3+])c2ccccc2)c(C)c1 ZINC000082600281 178905021 /nfs/dbraw/zinc/90/50/21/178905021.db2.gz BDRWAKLRMPBMGA-MRXNPFEDSA-N 1 0 225.335 3.394 10 0 BGAERO CCc1cccc2c(CC[C@@H](C)[NH3+])cn(C)c21 ZINC000082601430 384825278 /nfs/dbraw/zinc/82/52/78/384825278.db2.gz FUAQOADHMDTCII-LLVKDONJSA-N 1 0 230.355 3.021 10 0 BGAERO CCc1cccc2c(CC[C@H](C)[NH3+])cn(C)c21 ZINC000082601431 384827034 /nfs/dbraw/zinc/82/70/34/384827034.db2.gz FUAQOADHMDTCII-NSHDSACASA-N 1 0 230.355 3.021 10 0 BGAERO C[NH2+]CCN(C)c1ccc(-c2ccccc2)cc1 ZINC000082608064 173353516 /nfs/dbraw/zinc/35/35/16/173353516.db2.gz FRNKPIPMOOMBPD-UHFFFAOYSA-N 1 0 240.350 3.009 10 0 BGAERO CCCCc1ccc(C(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000082610335 169021323 /nfs/dbraw/zinc/02/13/23/169021323.db2.gz RHBRJCRVWNTXJY-HNNXBMFYSA-N 1 0 245.366 3.354 10 0 BGAERO CCCCc1ccc(C(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000082610336 169020564 /nfs/dbraw/zinc/02/05/64/169020564.db2.gz RHBRJCRVWNTXJY-OAHLLOKOSA-N 1 0 245.366 3.354 10 0 BGAERO C[NH2+][C@H]1C[C@@H](C)c2ccc(OC(F)F)cc21 ZINC000082618124 173468586 /nfs/dbraw/zinc/46/85/86/173468586.db2.gz RMKLVTHHBARXGN-HQJQHLMTSA-N 1 0 227.254 3.056 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)c2c1c(C)ccc2OC ZINC000082618192 170153735 /nfs/dbraw/zinc/15/37/35/170153735.db2.gz QWWKENMVOZHIPG-WDEREUQCSA-N 1 0 219.328 3.161 10 0 BGAERO CC[NH2+][C@H]1C[C@H](C)c2c1c(C)ccc2OC ZINC000082618193 170169537 /nfs/dbraw/zinc/16/95/37/170169537.db2.gz QWWKENMVOZHIPG-QWRGUYRKSA-N 1 0 219.328 3.161 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](C)c2c1c(C)ccc2OC ZINC000082618194 170153939 /nfs/dbraw/zinc/15/39/39/170153939.db2.gz QWWKENMVOZHIPG-GHMZBOCLSA-N 1 0 219.328 3.161 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](C)c2c1c(C)ccc2OC ZINC000082618195 170169403 /nfs/dbraw/zinc/16/94/03/170169403.db2.gz QWWKENMVOZHIPG-MNOVXSKESA-N 1 0 219.328 3.161 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](CC)c2ccc(OC)cc21 ZINC000082618204 170170025 /nfs/dbraw/zinc/17/00/25/170170025.db2.gz RKEZOAGBWVYBPA-YGRLFVJLSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@H]1C[C@H](CC)c2ccc(OC)cc21 ZINC000082618205 170169337 /nfs/dbraw/zinc/16/93/37/170169337.db2.gz RKEZOAGBWVYBPA-HZMBPMFUSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](CC)c2ccc(OC)cc21 ZINC000082618206 170153632 /nfs/dbraw/zinc/15/36/32/170153632.db2.gz RKEZOAGBWVYBPA-QMTHXVAHSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](CC)c2ccc(OC)cc21 ZINC000082618207 170153823 /nfs/dbraw/zinc/15/38/23/170153823.db2.gz RKEZOAGBWVYBPA-IINYFYTJSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)c2c1cccc2OCC ZINC000082618228 170153751 /nfs/dbraw/zinc/15/37/51/170153751.db2.gz ZTBQADOGKILUDK-CMPLNLGQSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@H]1C[C@H](C)c2c1cccc2OCC ZINC000082618229 170169896 /nfs/dbraw/zinc/16/98/96/170169896.db2.gz ZTBQADOGKILUDK-JQWIXIFHSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2OCC ZINC000082618230 170154470 /nfs/dbraw/zinc/15/44/70/170154470.db2.gz ZTBQADOGKILUDK-ZYHUDNBSSA-N 1 0 219.328 3.243 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](C)c2c1cccc2OCC ZINC000082618231 170169519 /nfs/dbraw/zinc/16/95/19/170169519.db2.gz ZTBQADOGKILUDK-PWSUYJOCSA-N 1 0 219.328 3.243 10 0 BGAERO CCC[NH2+][C@@H]1C[C@H](C)c2c1cccc2OC ZINC000082618323 169284344 /nfs/dbraw/zinc/28/43/44/169284344.db2.gz ZONQMUGNQCKDJG-CMPLNLGQSA-N 1 0 219.328 3.243 10 0 BGAERO CCC[NH2+][C@H]1C[C@H](C)c2c1cccc2OC ZINC000082618324 169292321 /nfs/dbraw/zinc/29/23/21/169292321.db2.gz ZONQMUGNQCKDJG-JQWIXIFHSA-N 1 0 219.328 3.243 10 0 BGAERO CCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2OC ZINC000082618325 169283774 /nfs/dbraw/zinc/28/37/74/169283774.db2.gz ZONQMUGNQCKDJG-ZYHUDNBSSA-N 1 0 219.328 3.243 10 0 BGAERO CCC[NH2+][C@H]1C[C@@H](C)c2c1cccc2OC ZINC000082618326 169293065 /nfs/dbraw/zinc/29/30/65/169293065.db2.gz ZONQMUGNQCKDJG-PWSUYJOCSA-N 1 0 219.328 3.243 10 0 BGAERO Cc1ccc(SC(C)(C)C[NH3+])c(C)c1 ZINC000082641185 187318552 /nfs/dbraw/zinc/31/85/52/187318552.db2.gz WUQCIPYJKZONJS-UHFFFAOYSA-N 1 0 209.358 3.133 10 0 BGAERO CC(C)(C[NH3+])Sc1ccc(Cl)cc1 ZINC000082642986 188139750 /nfs/dbraw/zinc/13/97/50/188139750.db2.gz ZPSSZHTWIZVDMK-UHFFFAOYSA-N 1 0 215.749 3.169 10 0 BGAERO CC[NH2+][C@@H](CCC(C)C)c1cc(C)ccn1 ZINC000082643796 170145044 /nfs/dbraw/zinc/14/50/44/170145044.db2.gz MIIAFSNBQNKKOV-ZDUSSCGKSA-N 1 0 220.360 3.477 10 0 BGAERO CC[NH2+][C@H](CCC(C)C)c1cc(C)ccn1 ZINC000082643797 170161439 /nfs/dbraw/zinc/16/14/39/170161439.db2.gz MIIAFSNBQNKKOV-CYBMUJFWSA-N 1 0 220.360 3.477 10 0 BGAERO C[C@@H]([NH3+])Cc1ccc(-c2ccccc2F)cc1 ZINC000082706747 175806951 /nfs/dbraw/zinc/80/69/51/175806951.db2.gz PVMDZAGYSXSZTB-LLVKDONJSA-N 1 0 229.298 3.382 10 0 BGAERO COc1ccccc1-c1ccc(C[C@H](C)[NH3+])cc1 ZINC000082706876 175308890 /nfs/dbraw/zinc/30/88/90/175308890.db2.gz AFCYZZBZALVAAV-LBPRGKRZSA-N 1 0 241.334 3.252 10 0 BGAERO COc1ccccc1-c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000082706877 175309352 /nfs/dbraw/zinc/30/93/52/175309352.db2.gz AFCYZZBZALVAAV-GFCCVEGCSA-N 1 0 241.334 3.252 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2cccnc2)c1 ZINC000082709349 173418453 /nfs/dbraw/zinc/41/84/53/173418453.db2.gz PWLJNSJQCCCHRF-JTQLQIEISA-N 1 0 230.286 3.168 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(F)c(-c2ccncc2)c1 ZINC000082709383 173418920 /nfs/dbraw/zinc/41/89/20/173418920.db2.gz PRQWMQQIEQMPTB-JTQLQIEISA-N 1 0 230.286 3.168 10 0 BGAERO COc1ccc([C@H](C)Nc2cc[nH+]cc2)cc1 ZINC000082712277 175190386 /nfs/dbraw/zinc/19/03/86/175190386.db2.gz AFNYVNQUBWZXIU-NSHDSACASA-N 1 0 228.295 3.263 10 0 BGAERO COc1ccc([C@@H](C)Nc2cc[nH+]cc2)cc1 ZINC000082712278 175177719 /nfs/dbraw/zinc/17/77/19/175177719.db2.gz AFNYVNQUBWZXIU-LLVKDONJSA-N 1 0 228.295 3.263 10 0 BGAERO CC[NH2+]Cc1cc(Cl)ccc1SC ZINC000082722286 170125428 /nfs/dbraw/zinc/12/54/28/170125428.db2.gz LFZBFKQWNHNVIF-UHFFFAOYSA-N 1 0 215.749 3.171 10 0 BGAERO CC[C@H]([NH3+])c1cc(C)c(Cl)cc1OC ZINC000082724839 171489618 /nfs/dbraw/zinc/48/96/18/171489618.db2.gz OTWYLQVMMMBZCS-JTQLQIEISA-N 1 0 213.708 3.067 10 0 BGAERO CC[C@@H]([NH3+])c1cc(C)c(Cl)cc1OC ZINC000082724840 170870355 /nfs/dbraw/zinc/87/03/55/170870355.db2.gz OTWYLQVMMMBZCS-SNVBAGLBSA-N 1 0 213.708 3.067 10 0 BGAERO COc1ccc([C@H](C)[NH3+])c(Cl)c1Cl ZINC000082724881 188178490 /nfs/dbraw/zinc/17/84/90/188178490.db2.gz AYYIGWRNSCITNY-YFKPBYRVSA-N 1 0 220.099 3.022 10 0 BGAERO CCOc1c(Cl)cc([C@H](C)[NH3+])cc1Cl ZINC000082725230 170514873 /nfs/dbraw/zinc/51/48/73/170514873.db2.gz GEWVFDPEYGMZGJ-LURJTMIESA-N 1 0 234.126 3.412 10 0 BGAERO COc1c(Cl)cc([C@@H](C)[NH3+])cc1Cl ZINC000082725782 174929880 /nfs/dbraw/zinc/92/98/80/174929880.db2.gz FYBSULDZXHYSCI-RXMQYKEDSA-N 1 0 220.099 3.022 10 0 BGAERO CCC[C@H]([NH3+])c1ccc(O)c(C(C)C)c1 ZINC000082726021 643371639 /nfs/dbraw/zinc/37/16/39/643371639.db2.gz KZIRJPVYJNFCPD-LBPRGKRZSA-N 1 0 207.317 3.316 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc(O)c(C(C)C)c1 ZINC000082726022 643371124 /nfs/dbraw/zinc/37/11/24/643371124.db2.gz KZIRJPVYJNFCPD-GFCCVEGCSA-N 1 0 207.317 3.316 10 0 BGAERO Cc1ccc2ccccc2c1C(=O)[C@@H]1CCC[NH2+]1 ZINC000082726495 178972026 /nfs/dbraw/zinc/97/20/26/178972026.db2.gz HNAQEMFOGCVETH-AWEZNQCLSA-N 1 0 239.318 3.083 10 0 BGAERO CCC[C@H]([NH3+])c1cc(Br)ccc1F ZINC000082726863 384708007 /nfs/dbraw/zinc/70/80/07/384708007.db2.gz RHCWFJIWXDBMTP-JTQLQIEISA-N 1 0 246.123 3.388 10 0 BGAERO CCC[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000082726864 169393175 /nfs/dbraw/zinc/39/31/75/169393175.db2.gz RHCWFJIWXDBMTP-SNVBAGLBSA-N 1 0 246.123 3.388 10 0 BGAERO Nc1ncccc1-c1ccc2c(c1)CCCC2 ZINC000082729961 490300226 /nfs/dbraw/zinc/30/02/26/490300226.db2.gz ACMHOYKBOIVCTM-UHFFFAOYSA-N 1 0 224.307 3.210 10 0 BGAERO CC[C@H]([NH2+]Cc1sc(C)nc1C)C(C)C ZINC000082737574 384262215 /nfs/dbraw/zinc/26/22/15/384262215.db2.gz DGHZIBCBXCRLDI-NSHDSACASA-N 1 0 226.389 3.284 10 0 BGAERO CC[C@@H]([NH2+]Cc1sc(C)nc1C)C(C)C ZINC000082737575 343463119 /nfs/dbraw/zinc/46/31/19/343463119.db2.gz DGHZIBCBXCRLDI-LLVKDONJSA-N 1 0 226.389 3.284 10 0 BGAERO CC[C@H]1Oc2cc(Cl)cc(Cl)c2[C@H]1[NH3+] ZINC000082760077 643376931 /nfs/dbraw/zinc/37/69/31/643376931.db2.gz HCCCJMLOGZWUEJ-XCBNKYQSSA-N 1 0 232.110 3.164 10 0 BGAERO CC[C@@H]1Oc2cc(Cl)cc(Cl)c2[C@H]1[NH3+] ZINC000082760078 643377188 /nfs/dbraw/zinc/37/71/88/643377188.db2.gz HCCCJMLOGZWUEJ-XVKPBYJWSA-N 1 0 232.110 3.164 10 0 BGAERO CC[C@H]1Oc2cc(Cl)cc(Cl)c2[C@@H]1[NH3+] ZINC000082760079 643376718 /nfs/dbraw/zinc/37/67/18/643376718.db2.gz HCCCJMLOGZWUEJ-GMSGAONNSA-N 1 0 232.110 3.164 10 0 BGAERO CC[C@@H]1Oc2cc(Cl)cc(Cl)c2[C@@H]1[NH3+] ZINC000082760080 643377005 /nfs/dbraw/zinc/37/70/05/643377005.db2.gz HCCCJMLOGZWUEJ-OIBJUYFYSA-N 1 0 232.110 3.164 10 0 BGAERO [NH3+]Cc1cc(Cl)c(Cl)c2ccncc12 ZINC000082768794 181475931 /nfs/dbraw/zinc/47/59/31/181475931.db2.gz QVVAEUGLANTTBH-UHFFFAOYSA-N 1 0 227.094 3.000 10 0 BGAERO [NH3+]Cc1nccc2c(Cl)cc(Cl)cc21 ZINC000082768815 386944556 /nfs/dbraw/zinc/94/45/56/386944556.db2.gz XYAPTICWILAOAT-UHFFFAOYSA-N 1 0 227.094 3.000 10 0 BGAERO [NH3+]Cc1nccc2c(Cl)c(Cl)ccc21 ZINC000082768816 386944146 /nfs/dbraw/zinc/94/41/46/386944146.db2.gz AVLUWDGGQZKHRZ-UHFFFAOYSA-N 1 0 227.094 3.000 10 0 BGAERO Cc1cc(CC(C)(C)C[NH3+])c2ccccc2n1 ZINC000082779831 177959675 /nfs/dbraw/zinc/95/96/75/177959675.db2.gz YJVWIAXRJLOXRQ-UHFFFAOYSA-N 1 0 228.339 3.071 10 0 BGAERO Cc1cccc2c1-c1sccc1[C@@H]2[NH3+] ZINC000082781395 179213659 /nfs/dbraw/zinc/21/36/59/179213659.db2.gz SKPMRGQYSFPBNL-LLVKDONJSA-N 1 0 201.294 3.085 10 0 BGAERO Cc1cccc2c1-c1sccc1[C@H]2[NH3+] ZINC000082781396 179213810 /nfs/dbraw/zinc/21/38/10/179213810.db2.gz SKPMRGQYSFPBNL-NSHDSACASA-N 1 0 201.294 3.085 10 0 BGAERO [NH3+][C@@H]1c2ccsc2-c2ccc(Cl)cc21 ZINC000082781586 181661480 /nfs/dbraw/zinc/66/14/80/181661480.db2.gz BFBQKQPAULENRG-SNVBAGLBSA-N 1 0 221.712 3.430 10 0 BGAERO c1csc(-c2cccc3c2CC[NH2+]C3)c1 ZINC000082793972 636447524 /nfs/dbraw/zinc/44/75/24/636447524.db2.gz CCCHBVUGKYEHDZ-UHFFFAOYSA-N 1 0 215.321 3.061 10 0 BGAERO c1csc(-c2ccc3c(c2)CC[NH2+]C3)c1 ZINC000082793985 636447486 /nfs/dbraw/zinc/44/74/86/636447486.db2.gz QCIGPMPMTQIOSE-UHFFFAOYSA-N 1 0 215.321 3.061 10 0 BGAERO c1csc(-c2cccc3c2C[NH2+]CC3)c1 ZINC000082794074 644396344 /nfs/dbraw/zinc/39/63/44/644396344.db2.gz UYIKTHVGNZESEQ-UHFFFAOYSA-N 1 0 215.321 3.061 10 0 BGAERO C[C@H]1CC[C@H]([NH2+]Cc2ccco2)C[C@@H]1C ZINC000082835661 177205394 /nfs/dbraw/zinc/20/53/94/177205394.db2.gz DTZZIZNKWOSXAA-SRVKXCTJSA-N 1 0 207.317 3.194 10 0 BGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccco2)C[C@@H]1C ZINC000082835667 177193221 /nfs/dbraw/zinc/19/32/21/177193221.db2.gz DTZZIZNKWOSXAA-SDDRHHMPSA-N 1 0 207.317 3.194 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000082862589 343469284 /nfs/dbraw/zinc/46/92/84/343469284.db2.gz UJXPGWWWMGVGAE-AUXWQGHOSA-N 1 0 221.266 3.106 10 0 BGAERO FC(F)(F)C1CCC2(CCC[NH2+]C2)CC1 ZINC000082862681 643526434 /nfs/dbraw/zinc/52/64/34/643526434.db2.gz WUQQWLHEJLGPNZ-UHFFFAOYSA-N 1 0 221.266 3.109 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000082862889 387393067 /nfs/dbraw/zinc/39/30/67/387393067.db2.gz RKKUMNIBNFYGNT-RGOKHQFPSA-N 1 0 221.266 3.106 10 0 BGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]CC1CCC1 ZINC000082863323 362237977 /nfs/dbraw/zinc/23/79/77/362237977.db2.gz GOMDPXQSKMPWMG-MNOVXSKESA-N 1 0 235.293 3.497 10 0 BGAERO Cc1cccc2cc([C@@H]3CCC[NH2+]3)oc21 ZINC000082912995 179227270 /nfs/dbraw/zinc/22/72/70/179227270.db2.gz XTXGTFTVLFJXME-NSHDSACASA-N 1 0 201.269 3.166 10 0 BGAERO Cc1cccc2cc([C@H]3CCC[NH2+]3)oc21 ZINC000082912996 179227903 /nfs/dbraw/zinc/22/79/03/179227903.db2.gz XTXGTFTVLFJXME-LLVKDONJSA-N 1 0 201.269 3.166 10 0 BGAERO Cc1cccc2cc([C@@H](C)CC[NH3+])oc21 ZINC000082926143 179226353 /nfs/dbraw/zinc/22/63/53/179226353.db2.gz HAPSQWAOZVNFTO-VIFPVBQESA-N 1 0 203.285 3.194 10 0 BGAERO Cc1cccc2cc([C@H](C)CC[NH3+])oc21 ZINC000082926145 179227944 /nfs/dbraw/zinc/22/79/44/179227944.db2.gz HAPSQWAOZVNFTO-SECBINFHSA-N 1 0 203.285 3.194 10 0 BGAERO Cc1cccc([C@@H]2C[NH2+]CCC2(C)C)c1 ZINC000082926705 179190624 /nfs/dbraw/zinc/19/06/24/179190624.db2.gz GPZTTYIGDYGNNE-ZDUSSCGKSA-N 1 0 203.329 3.098 10 0 BGAERO Cc1cccc([C@H]2C[NH2+]CCC2(C)C)c1 ZINC000082926707 187432986 /nfs/dbraw/zinc/43/29/86/187432986.db2.gz GPZTTYIGDYGNNE-CYBMUJFWSA-N 1 0 203.329 3.098 10 0 BGAERO Cc1ccc([C@@H]2C[NH2+]CCC2(C)C)cc1 ZINC000082926715 178876118 /nfs/dbraw/zinc/87/61/18/178876118.db2.gz YDXFUWCHWDEBQL-ZDUSSCGKSA-N 1 0 203.329 3.098 10 0 BGAERO Cc1ccc([C@H]2C[NH2+]CCC2(C)C)cc1 ZINC000082926718 178921948 /nfs/dbraw/zinc/92/19/48/178921948.db2.gz YDXFUWCHWDEBQL-CYBMUJFWSA-N 1 0 203.329 3.098 10 0 BGAERO Cc1cc(C)cc([C@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000082926720 177919860 /nfs/dbraw/zinc/91/98/60/177919860.db2.gz KFTIKMXGVHCTCW-GXTWGEPZSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1cc(C)cc([C@@H]2C[NH2+]C[C@H](C)C2)c1 ZINC000082926728 188121795 /nfs/dbraw/zinc/12/17/95/188121795.db2.gz KFTIKMXGVHCTCW-OCCSQVGLSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1ccc(C)c([C@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000082926741 178503581 /nfs/dbraw/zinc/50/35/81/178503581.db2.gz RSULKHZRAAMIQB-WCQYABFASA-N 1 0 203.329 3.016 10 0 BGAERO Cc1ccc(C)c([C@@H]2C[NH2+]C[C@@H](C)C2)c1 ZINC000082926743 178498605 /nfs/dbraw/zinc/49/86/05/178498605.db2.gz RSULKHZRAAMIQB-AAEUAGOBSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1ccc([C@@H]2C[NH2+]C[C@H](C)C2)cc1C ZINC000082926755 178874878 /nfs/dbraw/zinc/87/48/78/178874878.db2.gz WMWPKVDTWDCCIG-YGRLFVJLSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1cc(C)cc([C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000082926756 187267181 /nfs/dbraw/zinc/26/71/81/187267181.db2.gz JGPIJMVOPYHJCO-CHWSQXEVSA-N 1 0 203.329 3.159 10 0 BGAERO Cc1cc(C)cc([C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000082926758 177919408 /nfs/dbraw/zinc/91/94/08/177919408.db2.gz JGPIJMVOPYHJCO-OLZOCXBDSA-N 1 0 203.329 3.159 10 0 BGAERO Cc1cc(C)cc([C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000082926760 187267345 /nfs/dbraw/zinc/26/73/45/187267345.db2.gz JGPIJMVOPYHJCO-QWHCGFSZSA-N 1 0 203.329 3.159 10 0 BGAERO Cc1ccc(C)c([C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000082926773 178498265 /nfs/dbraw/zinc/49/82/65/178498265.db2.gz HGAKEGIVHFRHKM-CHWSQXEVSA-N 1 0 203.329 3.159 10 0 BGAERO Cc1ccc(C)c([C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000082926777 178497539 /nfs/dbraw/zinc/49/75/39/178497539.db2.gz HGAKEGIVHFRHKM-QWHCGFSZSA-N 1 0 203.329 3.159 10 0 BGAERO Cc1cc(C)cc([C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000082926849 177918263 /nfs/dbraw/zinc/91/82/63/177918263.db2.gz VQDAYZZVIYNWAS-CHWSQXEVSA-N 1 0 203.329 3.016 10 0 BGAERO Cc1c2cc(C)ccc2sc1CC[NH3+] ZINC000082931425 178990580 /nfs/dbraw/zinc/99/05/80/178990580.db2.gz WDLCYZPYUFAGBA-UHFFFAOYSA-N 1 0 205.326 3.019 10 0 BGAERO CC[C@]1(C)CN(Cc2ccccc2)C(C)(C)C[NH2+]1 ZINC000082937913 371050065 /nfs/dbraw/zinc/05/00/65/371050065.db2.gz DZCXTUKFJQQMEZ-MRXNPFEDSA-N 1 0 246.398 3.039 10 0 BGAERO CC[C@@]1(C)CN(Cc2ccccc2)C(C)(C)C[NH2+]1 ZINC000082937914 371050187 /nfs/dbraw/zinc/05/01/87/371050187.db2.gz DZCXTUKFJQQMEZ-INIZCTEOSA-N 1 0 246.398 3.039 10 0 BGAERO CSc1cccc(C2([NH3+])CCCC2)c1 ZINC000082942433 175579586 /nfs/dbraw/zinc/57/95/86/175579586.db2.gz SYHUYTFQBWRTRB-UHFFFAOYSA-N 1 0 207.342 3.137 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](c2ccccc2Cl)C1 ZINC000082950260 176328524 /nfs/dbraw/zinc/32/85/24/176328524.db2.gz XCAWZQVBVFPRRE-UWVGGRQHSA-N 1 0 209.720 3.053 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H](c2ccccc2Cl)C1 ZINC000082950262 176330253 /nfs/dbraw/zinc/33/02/53/176330253.db2.gz XCAWZQVBVFPRRE-VHSXEESVSA-N 1 0 209.720 3.053 10 0 BGAERO C[C@@H]1C[C@H](c2ccccc2Cl)CC[NH2+]1 ZINC000082950273 176430435 /nfs/dbraw/zinc/43/04/35/176430435.db2.gz JHCAVZMJEBTLPV-NXEZZACHSA-N 1 0 209.720 3.196 10 0 BGAERO C[C@H]1C[C@H](c2ccccc2Cl)CC[NH2+]1 ZINC000082950274 177375365 /nfs/dbraw/zinc/37/53/65/177375365.db2.gz JHCAVZMJEBTLPV-VHSXEESVSA-N 1 0 209.720 3.196 10 0 BGAERO C[C@@H]1C[C@@H](c2ccccc2Cl)CC[NH2+]1 ZINC000082950275 187664111 /nfs/dbraw/zinc/66/41/11/187664111.db2.gz JHCAVZMJEBTLPV-ZJUUUORDSA-N 1 0 209.720 3.196 10 0 BGAERO C[C@H]1C[C@@H](c2ccccc2Cl)CC[NH2+]1 ZINC000082950276 177339704 /nfs/dbraw/zinc/33/97/04/177339704.db2.gz JHCAVZMJEBTLPV-UWVGGRQHSA-N 1 0 209.720 3.196 10 0 BGAERO C[C@@H](c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000082950287 176024996 /nfs/dbraw/zinc/02/49/96/176024996.db2.gz WYDWPDUCDWEDOP-NXEZZACHSA-N 1 0 209.720 3.053 10 0 BGAERO C[C@H](c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000082950288 177041260 /nfs/dbraw/zinc/04/12/60/177041260.db2.gz WYDWPDUCDWEDOP-VHSXEESVSA-N 1 0 209.720 3.053 10 0 BGAERO C[C@@H](c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000082950289 176025301 /nfs/dbraw/zinc/02/53/01/176025301.db2.gz WYDWPDUCDWEDOP-ZJUUUORDSA-N 1 0 209.720 3.053 10 0 BGAERO C[C@H](c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000082950290 177041383 /nfs/dbraw/zinc/04/13/83/177041383.db2.gz WYDWPDUCDWEDOP-UWVGGRQHSA-N 1 0 209.720 3.053 10 0 BGAERO CCC[NH2+]CCc1cccc(OCCC)c1 ZINC000082954792 169261664 /nfs/dbraw/zinc/26/16/64/169261664.db2.gz ICFQJZOEKBVJNM-UHFFFAOYSA-N 1 0 221.344 3.018 10 0 BGAERO C[C@@]1(c2cc(F)ccc2Cl)CCC[NH2+]1 ZINC000082966774 176545850 /nfs/dbraw/zinc/54/58/50/176545850.db2.gz VFMXRKFTRRXDPX-NSHDSACASA-N 1 0 213.683 3.078 10 0 BGAERO Fc1cc([C@@H]2CCCC[NH2+]2)ccc1Cl ZINC000082966780 635159284 /nfs/dbraw/zinc/15/92/84/635159284.db2.gz BPPFQUVLYDZOLZ-NSHDSACASA-N 1 0 213.683 3.294 10 0 BGAERO Fc1cc([C@H]2CCCC[NH2+]2)ccc1Cl ZINC000082966782 180955554 /nfs/dbraw/zinc/95/55/54/180955554.db2.gz BPPFQUVLYDZOLZ-LLVKDONJSA-N 1 0 213.683 3.294 10 0 BGAERO Cc1ccc2occ(C3CC[NH2+]CC3)c2c1 ZINC000082968268 362341360 /nfs/dbraw/zinc/34/13/60/362341360.db2.gz COYQZLHEUQJPGL-UHFFFAOYSA-N 1 0 215.296 3.208 10 0 BGAERO Cc1cccc2cc([C@]3(C)CCC[NH2+]3)oc21 ZINC000082968310 179228287 /nfs/dbraw/zinc/22/82/87/179228287.db2.gz FVSRGGXQSMAYQI-AWEZNQCLSA-N 1 0 215.296 3.340 10 0 BGAERO Cc1cccc2cc([C@@]3(C)CCC[NH2+]3)oc21 ZINC000082968312 179227887 /nfs/dbraw/zinc/22/78/87/179227887.db2.gz FVSRGGXQSMAYQI-CQSZACIVSA-N 1 0 215.296 3.340 10 0 BGAERO Cc1cccc2cc(C3CC[NH2+]CC3)oc21 ZINC000082968315 179227252 /nfs/dbraw/zinc/22/72/52/179227252.db2.gz XQIVTGDABNASNJ-UHFFFAOYSA-N 1 0 215.296 3.208 10 0 BGAERO Cc1ccc2oc([C@]3(C)CCC[NH2+]3)cc2c1 ZINC000082968355 188314972 /nfs/dbraw/zinc/31/49/72/188314972.db2.gz FINDFQIFKKNMQB-AWEZNQCLSA-N 1 0 215.296 3.340 10 0 BGAERO Cc1ccc2oc([C@@]3(C)CCC[NH2+]3)cc2c1 ZINC000082968357 188496870 /nfs/dbraw/zinc/49/68/70/188496870.db2.gz FINDFQIFKKNMQB-CQSZACIVSA-N 1 0 215.296 3.340 10 0 BGAERO C[C@H]1C[C@@H](c2ccc3c(c2)CCC3)CC[NH2+]1 ZINC000082969461 177338718 /nfs/dbraw/zinc/33/87/18/177338718.db2.gz LPQIFXZWQAXTDR-NHYWBVRUSA-N 1 0 215.340 3.031 10 0 BGAERO CCCC[C@H](CC)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082991056 384734977 /nfs/dbraw/zinc/73/49/77/384734977.db2.gz ULMXNGVYOQVZFJ-IHRRRGAJSA-N 1 0 227.392 3.096 10 0 BGAERO CCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082991877 644398500 /nfs/dbraw/zinc/39/85/00/644398500.db2.gz ZTRDFLKENPKINF-IHRRRGAJSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC(CCC)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000082992059 384733933 /nfs/dbraw/zinc/73/39/33/384733933.db2.gz MQPPQNICWZSMTD-JSGCOSHPSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC(CCC)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000082992065 387393628 /nfs/dbraw/zinc/39/36/28/387393628.db2.gz MQPPQNICWZSMTD-TZMCWYRMSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@@]1(c2cc3cc(F)ccc3o2)CCC[NH2+]1 ZINC000083010525 176545770 /nfs/dbraw/zinc/54/57/70/176545770.db2.gz BHPICVAXXXOEEY-ZDUSSCGKSA-N 1 0 219.259 3.171 10 0 BGAERO Fc1cccc2cc(C3CC[NH2+]CC3)oc21 ZINC000083010574 181007565 /nfs/dbraw/zinc/00/75/65/181007565.db2.gz SKGKEWSDRRXMDY-UHFFFAOYSA-N 1 0 219.259 3.039 10 0 BGAERO COc1ccc(C2([NH3+])CCCCC2)c(C)c1 ZINC000083012938 175084780 /nfs/dbraw/zinc/08/47/80/175084780.db2.gz RIFRRWOQMBJOMB-UHFFFAOYSA-N 1 0 219.328 3.122 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000083016233 384737925 /nfs/dbraw/zinc/73/79/25/384737925.db2.gz NEEHWCFNUHNHJU-QMTHXVAHSA-N 1 0 221.319 3.447 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H]1CCc2c1cccc2F ZINC000083016234 256750039 /nfs/dbraw/zinc/75/00/39/256750039.db2.gz NEEHWCFNUHNHJU-IINYFYTJSA-N 1 0 221.319 3.447 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000083016236 387395691 /nfs/dbraw/zinc/39/56/91/387395691.db2.gz NEEHWCFNUHNHJU-YGRLFVJLSA-N 1 0 221.319 3.447 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H]1CCc2c1cccc2F ZINC000083016238 387395460 /nfs/dbraw/zinc/39/54/60/387395460.db2.gz NEEHWCFNUHNHJU-HZMBPMFUSA-N 1 0 221.319 3.447 10 0 BGAERO Fc1ccc2sc([C@@H]3CCC[NH2+]3)cc2c1 ZINC000083020597 180992891 /nfs/dbraw/zinc/99/28/91/180992891.db2.gz AMCLDXRMFQIESJ-JTQLQIEISA-N 1 0 221.300 3.465 10 0 BGAERO Fc1ccc2sc([C@H]3CCC[NH2+]3)cc2c1 ZINC000083020598 180992641 /nfs/dbraw/zinc/99/26/41/180992641.db2.gz AMCLDXRMFQIESJ-SNVBAGLBSA-N 1 0 221.300 3.465 10 0 BGAERO Clc1cccc([C@H]2C[NH2+][C@@H](C3CC3)C2)c1 ZINC000083035387 566435015 /nfs/dbraw/zinc/43/50/15/566435015.db2.gz PKIDYQFPNVUJRK-DGCLKSJQSA-N 1 0 221.731 3.196 10 0 BGAERO Clc1cccc([C@@H]2C[NH2+][C@@H](C3CC3)C2)c1 ZINC000083035389 566435858 /nfs/dbraw/zinc/43/58/58/566435858.db2.gz PKIDYQFPNVUJRK-WCQYABFASA-N 1 0 221.731 3.196 10 0 BGAERO Clc1cccc([C@H]2C[NH2+][C@H](C3CC3)C2)c1 ZINC000083035392 566434734 /nfs/dbraw/zinc/43/47/34/566434734.db2.gz PKIDYQFPNVUJRK-YPMHNXCESA-N 1 0 221.731 3.196 10 0 BGAERO Clc1cccc([C@@H]2C[NH2+][C@H](C3CC3)C2)c1 ZINC000083035394 566435026 /nfs/dbraw/zinc/43/50/26/566435026.db2.gz PKIDYQFPNVUJRK-AAEUAGOBSA-N 1 0 221.731 3.196 10 0 BGAERO Clc1ccccc1[C@H]1C[NH2+][C@@H](C2CC2)C1 ZINC000083035397 566436265 /nfs/dbraw/zinc/43/62/65/566436265.db2.gz NYIYPUMBIXZLRA-ZWNOBZJWSA-N 1 0 221.731 3.196 10 0 BGAERO Clc1ccccc1[C@@H]1C[NH2+][C@@H](C2CC2)C1 ZINC000083035399 566435305 /nfs/dbraw/zinc/43/53/05/566435305.db2.gz NYIYPUMBIXZLRA-GXFFZTMASA-N 1 0 221.731 3.196 10 0 BGAERO Clc1ccccc1[C@H]1C[NH2+][C@H](C2CC2)C1 ZINC000083035403 566435980 /nfs/dbraw/zinc/43/59/80/566435980.db2.gz NYIYPUMBIXZLRA-MFKMUULPSA-N 1 0 221.731 3.196 10 0 BGAERO Clc1ccccc1[C@@H]1C[NH2+][C@H](C2CC2)C1 ZINC000083035404 566435238 /nfs/dbraw/zinc/43/52/38/566435238.db2.gz NYIYPUMBIXZLRA-GWCFXTLKSA-N 1 0 221.731 3.196 10 0 BGAERO CC1(C)CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000083044222 188121299 /nfs/dbraw/zinc/12/12/99/188121299.db2.gz BARIPGVTDFNUFZ-GFCCVEGCSA-N 1 0 223.747 3.443 10 0 BGAERO Cc1[nH]c2c(cccc2C)c1C1CC[NH2+]CC1 ZINC000083069730 342693129 /nfs/dbraw/zinc/69/31/29/342693129.db2.gz RNQYWIZIWVLPMT-UHFFFAOYSA-N 1 0 228.339 3.252 10 0 BGAERO [NH3+]C1(c2cccc3c2OCCC3)CCCCC1 ZINC000083074254 181335648 /nfs/dbraw/zinc/33/56/48/181335648.db2.gz QLNORFCLVKEMKV-UHFFFAOYSA-N 1 0 231.339 3.130 10 0 BGAERO Cc1cccc2sc([C@]3(C)CCC[NH2+]3)nc21 ZINC000083099709 179233731 /nfs/dbraw/zinc/23/37/31/179233731.db2.gz GVPGNIYUMSIUBL-ZDUSSCGKSA-N 1 0 232.352 3.203 10 0 BGAERO Cc1cccc2sc([C@@]3(C)CCC[NH2+]3)nc21 ZINC000083099710 179234409 /nfs/dbraw/zinc/23/44/09/179234409.db2.gz GVPGNIYUMSIUBL-CYBMUJFWSA-N 1 0 232.352 3.203 10 0 BGAERO Cc1cccc2sc(C3([NH3+])CCCC3)nc21 ZINC000083099712 179234483 /nfs/dbraw/zinc/23/44/83/179234483.db2.gz WONDNXXHIMJHKK-UHFFFAOYSA-N 1 0 232.352 3.333 10 0 BGAERO [NH3+]C1(c2nc3cc(F)ccc3o2)CCCCC1 ZINC000083103578 181335766 /nfs/dbraw/zinc/33/57/66/181335766.db2.gz WTNJMEDPUYMFGP-UHFFFAOYSA-N 1 0 234.274 3.085 10 0 BGAERO Cc1cccc2sc([C@@H](C[NH3+])C(C)C)nc21 ZINC000083106642 179233940 /nfs/dbraw/zinc/23/39/40/179233940.db2.gz LDCXQFWUWPTTAG-JTQLQIEISA-N 1 0 234.368 3.303 10 0 BGAERO Cc1cccc2sc([C@H](C[NH3+])C(C)C)nc21 ZINC000083106643 179233992 /nfs/dbraw/zinc/23/39/92/179233992.db2.gz LDCXQFWUWPTTAG-SNVBAGLBSA-N 1 0 234.368 3.303 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1nc2ccc(F)cc2s1 ZINC000083131624 167397519 /nfs/dbraw/zinc/39/75/19/167397519.db2.gz QELVTXYWCGEWKF-SECBINFHSA-N 1 0 238.331 3.134 10 0 BGAERO CC(C)[C@H](C[NH3+])c1nc2ccc(F)cc2s1 ZINC000083131625 187795804 /nfs/dbraw/zinc/79/58/04/187795804.db2.gz QELVTXYWCGEWKF-VIFPVBQESA-N 1 0 238.331 3.134 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1nc2cc(F)ccc2s1 ZINC000083131626 167397752 /nfs/dbraw/zinc/39/77/52/167397752.db2.gz YXMOUDYGHDPJCJ-SECBINFHSA-N 1 0 238.331 3.134 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1nc2cc(Cl)ccc2o1 ZINC000083132211 167397697 /nfs/dbraw/zinc/39/76/97/167397697.db2.gz DPZQZUZEWJHBIM-SECBINFHSA-N 1 0 238.718 3.180 10 0 BGAERO CC(C)[C@H](C[NH3+])c1nc2cc(Cl)ccc2o1 ZINC000083132214 187795926 /nfs/dbraw/zinc/79/59/26/187795926.db2.gz DPZQZUZEWJHBIM-VIFPVBQESA-N 1 0 238.718 3.180 10 0 BGAERO [NH3+]C1(c2nc3ccc(Cl)cc3s2)CCC1 ZINC000083132405 181334678 /nfs/dbraw/zinc/33/46/78/181334678.db2.gz RUTWHDKBUCDFFS-UHFFFAOYSA-N 1 0 238.743 3.288 10 0 BGAERO [NH3+]C1(c2nc3cc(Cl)ccc3s2)CCC1 ZINC000083132406 181335406 /nfs/dbraw/zinc/33/54/06/181335406.db2.gz MCLOIFRGHASQPK-UHFFFAOYSA-N 1 0 238.743 3.288 10 0 BGAERO CC(C)(C)[NH2+]Cc1cnc(C2CCC2)s1 ZINC000083136368 135443873 /nfs/dbraw/zinc/44/38/73/135443873.db2.gz JUNHTVXXNVAXSF-UHFFFAOYSA-N 1 0 224.373 3.299 10 0 BGAERO Cc1cc(OCc2ccccc2)ccc1C[NH3+] ZINC000083140447 178211957 /nfs/dbraw/zinc/21/19/57/178211957.db2.gz NHQLEWYULZUUTM-UHFFFAOYSA-N 1 0 227.307 3.033 10 0 BGAERO C[C@@]1(c2nc3ccc(F)cc3s2)CCC[NH2+]1 ZINC000083143773 176548482 /nfs/dbraw/zinc/54/84/82/176548482.db2.gz DMDIOVFFFQFIKE-LBPRGKRZSA-N 1 0 236.315 3.034 10 0 BGAERO [NH3+]C1(c2nc3ccc(F)cc3s2)CCCC1 ZINC000083143776 181335524 /nfs/dbraw/zinc/33/55/24/181335524.db2.gz UWGJAWNFWLWTKE-UHFFFAOYSA-N 1 0 236.315 3.163 10 0 BGAERO c1ccc(C[N@@H+]2CCNc3ccccc3C2)cc1 ZINC000083145611 183399726 /nfs/dbraw/zinc/39/97/26/183399726.db2.gz CBXURDIDLIFMSR-UHFFFAOYSA-N 1 0 238.334 3.114 10 0 BGAERO CCOc1ccc([C@H](C)[NH3+])c(Cl)c1Cl ZINC000083155813 170561970 /nfs/dbraw/zinc/56/19/70/170561970.db2.gz ZRAKJRSCMKJKSG-LURJTMIESA-N 1 0 234.126 3.412 10 0 BGAERO Cc1c(Cl)c(C)c(C[NH3+])c(C)c1Cl ZINC000083161696 177596563 /nfs/dbraw/zinc/59/65/63/177596563.db2.gz WVTLTGBTINAODX-UHFFFAOYSA-N 1 0 218.127 3.377 10 0 BGAERO CC[C@H]([NH3+])c1cc(C)cc(Cl)c1OC ZINC000083163763 171489910 /nfs/dbraw/zinc/48/99/10/171489910.db2.gz KIDSUTKSHUZSAK-JTQLQIEISA-N 1 0 213.708 3.067 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH3+])c(C)c1Br ZINC000083166782 177874068 /nfs/dbraw/zinc/87/40/68/177874068.db2.gz FSQWNQFIJYSCRR-VIFPVBQESA-N 1 0 242.160 3.394 10 0 BGAERO Cc1ccccc1C1([NH3+])CC2(CCC2)C1 ZINC000083174089 343478569 /nfs/dbraw/zinc/47/85/69/343478569.db2.gz TXZJHCVLWKEMTJ-UHFFFAOYSA-N 1 0 201.313 3.113 10 0 BGAERO Cc1cccc(C2([NH3+])CC3(CCC3)C2)c1 ZINC000083174112 343478273 /nfs/dbraw/zinc/47/82/73/343478273.db2.gz HWZQOAQSBXLJMR-UHFFFAOYSA-N 1 0 201.313 3.113 10 0 BGAERO CC[NH2+]CCCCc1ccc(OC)c(Cl)c1 ZINC000083188694 170112519 /nfs/dbraw/zinc/11/25/19/170112519.db2.gz JCWZUAGOKALTPX-UHFFFAOYSA-N 1 0 241.762 3.281 10 0 BGAERO CC[NH2+]CCc1cc2cc(Cl)ccc2o1 ZINC000083228717 170117650 /nfs/dbraw/zinc/11/76/50/170117650.db2.gz JPIJHZVCKMABHK-UHFFFAOYSA-N 1 0 223.703 3.238 10 0 BGAERO CC[NH2+]Cc1cc2cc(Cl)ccc2o1 ZINC000083228723 170126154 /nfs/dbraw/zinc/12/61/54/170126154.db2.gz UKWXLXMIKLHDIR-UHFFFAOYSA-N 1 0 209.676 3.196 10 0 BGAERO C[NH2+]Cc1cc2cc(Cl)cc(Cl)c2o1 ZINC000083228793 173387957 /nfs/dbraw/zinc/38/79/57/173387957.db2.gz XEFFZWYSNNONRB-UHFFFAOYSA-N 1 0 230.094 3.459 10 0 BGAERO C[NH2+]Cc1c(C)cc(C)c(Br)c1C ZINC000083229218 173384055 /nfs/dbraw/zinc/38/40/55/173384055.db2.gz XTIIWGNBLOSVBW-UHFFFAOYSA-N 1 0 242.160 3.094 10 0 BGAERO Cc1c(Cl)c(C)c(CC[NH3+])c(C)c1Cl ZINC000083229228 177595525 /nfs/dbraw/zinc/59/55/25/177595525.db2.gz MZQLLJCSIUZNCR-UHFFFAOYSA-N 1 0 232.154 3.420 10 0 BGAERO CC[NH2+]Cc1ccc2c3c(cccc31)CC2 ZINC000083230317 170127644 /nfs/dbraw/zinc/12/76/44/170127644.db2.gz GCVJPSDFCAOADZ-UHFFFAOYSA-N 1 0 211.308 3.048 10 0 BGAERO CC[NH2+]CCc1c(OC)ccc2ccccc21 ZINC000083230564 170117064 /nfs/dbraw/zinc/11/70/64/170117064.db2.gz PLBNUWNFUITUSI-UHFFFAOYSA-N 1 0 229.323 3.000 10 0 BGAERO CC[NH2+]CCc1ccc(OC)c2ccccc12 ZINC000083230688 170117166 /nfs/dbraw/zinc/11/71/66/170117166.db2.gz XPVYBNYUFMOSKO-UHFFFAOYSA-N 1 0 229.323 3.000 10 0 BGAERO Fc1ccccc1-c1cnc(C[NH2+]C2CC2)s1 ZINC000083240620 181008916 /nfs/dbraw/zinc/00/89/16/181008916.db2.gz CJTCTARYVYDUGZ-UHFFFAOYSA-N 1 0 248.326 3.201 10 0 BGAERO c1cc(-c2cnc(C[NH2+]C3CC3)s2)cs1 ZINC000083240939 183329511 /nfs/dbraw/zinc/32/95/11/183329511.db2.gz YZDRKGNIWVDWOA-UHFFFAOYSA-N 1 0 236.365 3.124 10 0 BGAERO C[C@@H](CC[NH3+])c1cc(Br)ccc1F ZINC000083255715 175673217 /nfs/dbraw/zinc/67/32/17/175673217.db2.gz HGBLSQTZRXZLGX-ZETCQYMHSA-N 1 0 246.123 3.041 10 0 BGAERO C[C@H](CC[NH3+])c1cc(Br)ccc1F ZINC000083255716 176627974 /nfs/dbraw/zinc/62/79/74/176627974.db2.gz HGBLSQTZRXZLGX-SSDOTTSWSA-N 1 0 246.123 3.041 10 0 BGAERO Cc1ccc(Br)cc1[C@@H](C)CC[NH3+] ZINC000083255717 178362364 /nfs/dbraw/zinc/36/23/64/178362364.db2.gz KYOWEGXFRSXRII-VIFPVBQESA-N 1 0 242.160 3.210 10 0 BGAERO Cc1ccc(Br)cc1[C@H](C)CC[NH3+] ZINC000083255718 178362258 /nfs/dbraw/zinc/36/22/58/178362258.db2.gz KYOWEGXFRSXRII-SECBINFHSA-N 1 0 242.160 3.210 10 0 BGAERO COc1ccc(C(C)(C)[NH3+])c(Cl)c1Cl ZINC000083255969 175067488 /nfs/dbraw/zinc/06/74/88/175067488.db2.gz VQTXCRQTFPWFPT-UHFFFAOYSA-N 1 0 234.126 3.196 10 0 BGAERO COc1ccc([C@@H](C)C[NH3+])c(Cl)c1Cl ZINC000083255993 175176124 /nfs/dbraw/zinc/17/61/24/175176124.db2.gz IFIPYQVTILODKB-LURJTMIESA-N 1 0 234.126 3.064 10 0 BGAERO COc1ccc([C@H](C)C[NH3+])c(Cl)c1Cl ZINC000083255994 175187733 /nfs/dbraw/zinc/18/77/33/175187733.db2.gz IFIPYQVTILODKB-ZCFIWIBFSA-N 1 0 234.126 3.064 10 0 BGAERO CC[C@H](C[NH3+])c1cc(Br)ccc1C ZINC000083256012 171431087 /nfs/dbraw/zinc/43/10/87/171431087.db2.gz YROYGBSAOPMLMM-SECBINFHSA-N 1 0 242.160 3.210 10 0 BGAERO Cc1ccc(Br)cc1[C@H]([NH3+])C(C)C ZINC000083256098 178362418 /nfs/dbraw/zinc/36/24/18/178362418.db2.gz JGMCOBDJCTUFEC-LLVKDONJSA-N 1 0 242.160 3.413 10 0 BGAERO Cc1ccc(Br)cc1[C@@H]([NH3+])C(C)C ZINC000083256099 178362368 /nfs/dbraw/zinc/36/23/68/178362368.db2.gz JGMCOBDJCTUFEC-NSHDSACASA-N 1 0 242.160 3.413 10 0 BGAERO C[NH2+]C[C@H](C)c1cc(Br)ccc1C ZINC000083256265 173376112 /nfs/dbraw/zinc/37/61/12/173376112.db2.gz DPFDCJJBMGAWOK-VIFPVBQESA-N 1 0 242.160 3.080 10 0 BGAERO C[NH2+]C[C@@H](C)c1cc(Br)ccc1C ZINC000083256266 173364915 /nfs/dbraw/zinc/36/49/15/173364915.db2.gz DPFDCJJBMGAWOK-SECBINFHSA-N 1 0 242.160 3.080 10 0 BGAERO Cc1ccc(Br)cc1C[NH2+]C1CC1 ZINC000083256378 178362422 /nfs/dbraw/zinc/36/24/22/178362422.db2.gz FWXRXCXMVIICEY-UHFFFAOYSA-N 1 0 240.144 3.010 10 0 BGAERO Cc1ccc(Br)cc1CC(C)(C)[NH3+] ZINC000083256391 178362406 /nfs/dbraw/zinc/36/24/06/178362406.db2.gz AHUURNMHWHSETM-UHFFFAOYSA-N 1 0 242.160 3.037 10 0 BGAERO C[NH2+]C(C)(C)c1cc(Br)ccc1F ZINC000083256635 173320448 /nfs/dbraw/zinc/32/04/48/173320448.db2.gz NOBFDWWHQXIRDB-UHFFFAOYSA-N 1 0 246.123 3.043 10 0 BGAERO C[NH2+]C(C)(C)c1cc(Br)ccc1C ZINC000083256636 173320130 /nfs/dbraw/zinc/32/01/30/173320130.db2.gz RJVXGNJSVRQWQT-UHFFFAOYSA-N 1 0 242.160 3.212 10 0 BGAERO CC(C)(C)[NH2+]C/C=C(/Cl)C(F)(F)F ZINC000083263154 166629355 /nfs/dbraw/zinc/62/93/55/166629355.db2.gz AWOMKEMOMPLPIC-GQCTYLIASA-N 1 0 215.646 3.060 10 0 BGAERO C[NH2+]C(C)(C)Cc1ccc(F)c(Cl)c1 ZINC000083263878 173320261 /nfs/dbraw/zinc/32/02/61/173320261.db2.gz XSHMERKKPSCXFC-UHFFFAOYSA-N 1 0 215.699 3.020 10 0 BGAERO CC1([C@@H]([NH3+])c2ccc(F)c(Cl)c2)CC1 ZINC000083264294 187242628 /nfs/dbraw/zinc/24/26/28/187242628.db2.gz WOZHRGJESXBQID-JTQLQIEISA-N 1 0 213.683 3.279 10 0 BGAERO CC(C)[C@](C)([NH3+])c1cc(Cl)ccc1F ZINC000083264423 167523935 /nfs/dbraw/zinc/52/39/35/167523935.db2.gz KDRDQEUKRFSVNW-NSHDSACASA-N 1 0 215.699 3.309 10 0 BGAERO C[NH2+]C(C)(C)Cc1cc(Cl)ccc1F ZINC000083264562 173320293 /nfs/dbraw/zinc/32/02/93/173320293.db2.gz LHDHYYKJDPGDCJ-UHFFFAOYSA-N 1 0 215.699 3.020 10 0 BGAERO CC1([C@@H]([NH3+])c2cc(Cl)ccc2F)CC1 ZINC000083264957 168071988 /nfs/dbraw/zinc/07/19/88/168071988.db2.gz BPQDQPXZARIKIC-JTQLQIEISA-N 1 0 213.683 3.279 10 0 BGAERO CSc1ccc([C@](C)([NH3+])C(C)C)cc1 ZINC000083265062 175579147 /nfs/dbraw/zinc/57/91/47/175579147.db2.gz JFSLUIKWRSVBMK-GFCCVEGCSA-N 1 0 209.358 3.238 10 0 BGAERO CSc1ccc([C@@H]([NH3+])C2(C)CC2)cc1 ZINC000083265323 188178514 /nfs/dbraw/zinc/17/85/14/188178514.db2.gz KQXOZTQEUJQJMC-LLVKDONJSA-N 1 0 207.342 3.208 10 0 BGAERO CC(C)Sc1ccc(C2([NH3+])CC2)cc1 ZINC000083266019 167336457 /nfs/dbraw/zinc/33/64/57/167336457.db2.gz ZJTWQDLJUZPNFC-UHFFFAOYSA-N 1 0 207.342 3.135 10 0 BGAERO C[C@]1(c2ccc(Cl)s2)CCC[NH2+]1 ZINC000083283900 177477899 /nfs/dbraw/zinc/47/78/99/177477899.db2.gz LZXMMLKDZNXFPT-SECBINFHSA-N 1 0 201.722 3.000 10 0 BGAERO [NH3+]C1(c2ccsc2Cl)CCCC1 ZINC000083283921 181334787 /nfs/dbraw/zinc/33/47/87/181334787.db2.gz GENCPCNZGGHMKE-UHFFFAOYSA-N 1 0 201.722 3.130 10 0 BGAERO CC(C)[C@H]([NH3+])c1csc(C(C)(C)C)n1 ZINC000083297978 188178997 /nfs/dbraw/zinc/17/89/97/188178997.db2.gz ZTOUCSLFPCPZOV-VIFPVBQESA-N 1 0 212.362 3.096 10 0 BGAERO Cc1cc([C@@H]2CCC[NH2+]C2)c(Cl)s1 ZINC000083299364 178240784 /nfs/dbraw/zinc/24/07/84/178240784.db2.gz QOCXCAAVTHWGTC-MRVPVSSYSA-N 1 0 215.749 3.177 10 0 BGAERO Cc1cc([C@H]2CCC[NH2+]C2)c(Cl)s1 ZINC000083299365 178267313 /nfs/dbraw/zinc/26/73/13/178267313.db2.gz QOCXCAAVTHWGTC-QMMMGPOBSA-N 1 0 215.749 3.177 10 0 BGAERO FC(F)(F)c1csc([C@@H]2CCC[NH2+]2)c1 ZINC000083305466 180897676 /nfs/dbraw/zinc/89/76/76/180897676.db2.gz CFUGKJBDSKUSLM-ZETCQYMHSA-N 1 0 221.247 3.191 10 0 BGAERO FC(F)(F)c1csc([C@H]2CCC[NH2+]2)c1 ZINC000083305467 180897710 /nfs/dbraw/zinc/89/77/10/180897710.db2.gz CFUGKJBDSKUSLM-SSDOTTSWSA-N 1 0 221.247 3.191 10 0 BGAERO FC(F)(F)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000083305470 180893933 /nfs/dbraw/zinc/89/39/33/180893933.db2.gz HUHPIHWOTMJUJM-LURJTMIESA-N 1 0 221.247 3.191 10 0 BGAERO Cc1ccc(/C=C\c2cccc[n+]2C)c(C)c1 ZINC000083308168 644403993 /nfs/dbraw/zinc/40/39/93/644403993.db2.gz QKQZYJUUBQROMS-KTKRTIGZSA-N 1 0 224.327 3.298 10 0 BGAERO [NH3+]C1(c2csc(C3CCCC3)n2)CCC1 ZINC000083319905 181334926 /nfs/dbraw/zinc/33/49/26/181334926.db2.gz BWTILLHCFYIXRL-UHFFFAOYSA-N 1 0 222.357 3.139 10 0 BGAERO [NH3+]C1(c2csc(C3CCC3)n2)CCCC1 ZINC000083319911 181334633 /nfs/dbraw/zinc/33/46/33/181334633.db2.gz QADITQISGMWENQ-UHFFFAOYSA-N 1 0 222.357 3.139 10 0 BGAERO [NH3+]C1(c2csc(C3CC3)n2)CCCCC1 ZINC000083319990 181334727 /nfs/dbraw/zinc/33/47/27/181334727.db2.gz OTQUYDSFVCBROW-UHFFFAOYSA-N 1 0 222.357 3.139 10 0 BGAERO CC(C)(C)c1nc(C2([NH3+])CCCC2)cs1 ZINC000083322284 188295743 /nfs/dbraw/zinc/29/57/43/188295743.db2.gz BJBGTZGEGFAXSV-UHFFFAOYSA-N 1 0 224.373 3.169 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1csc(C2CCC2)n1 ZINC000083322376 167396350 /nfs/dbraw/zinc/39/63/50/167396350.db2.gz CKTSBSLFRAIWOM-SNVBAGLBSA-N 1 0 224.373 3.109 10 0 BGAERO CC(C)C[C@H]([NH3+])c1csc(C(C)(C)C)n1 ZINC000083323763 188122899 /nfs/dbraw/zinc/12/28/99/188122899.db2.gz AOPMLBMAKQLQMD-VIFPVBQESA-N 1 0 226.389 3.487 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1csc(C(C)(C)C)n1 ZINC000083323765 188295260 /nfs/dbraw/zinc/29/52/60/188295260.db2.gz AOPMLBMAKQLQMD-SECBINFHSA-N 1 0 226.389 3.487 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1csc(C(C)(C)C)n1 ZINC000083323767 167397034 /nfs/dbraw/zinc/39/70/34/167397034.db2.gz JMJVQQNOSFQVII-SECBINFHSA-N 1 0 226.389 3.139 10 0 BGAERO CC(C)[C@H](C[NH3+])c1csc(C(C)(C)C)n1 ZINC000083323769 188295479 /nfs/dbraw/zinc/29/54/79/188295479.db2.gz JMJVQQNOSFQVII-VIFPVBQESA-N 1 0 226.389 3.139 10 0 BGAERO [NH3+]CC1(c2csc(C3CCCC3)n2)CCC1 ZINC000083337043 181364274 /nfs/dbraw/zinc/36/42/74/181364274.db2.gz XQDPRNVJSLYVQD-UHFFFAOYSA-N 1 0 236.384 3.181 10 0 BGAERO CC(C)[C@@H](C[NH3+])c1csc(C2CCCC2)n1 ZINC000083338442 167397507 /nfs/dbraw/zinc/39/75/07/167397507.db2.gz UQLMQVMTYZSMKF-LLVKDONJSA-N 1 0 238.400 3.499 10 0 BGAERO CC(C)[C@H](C[NH3+])c1csc(C2CCCC2)n1 ZINC000083338443 187284413 /nfs/dbraw/zinc/28/44/13/187284413.db2.gz UQLMQVMTYZSMKF-NSHDSACASA-N 1 0 238.400 3.499 10 0 BGAERO Cc1cccc(C[NH2+]CC(C)C)c1Cl ZINC000083346832 179090055 /nfs/dbraw/zinc/09/00/55/179090055.db2.gz ZMSRYRUASISAQM-UHFFFAOYSA-N 1 0 211.736 3.394 10 0 BGAERO C[C@H](CNc1cc[nH+]cc1)c1ccccc1 ZINC000083347039 176687146 /nfs/dbraw/zinc/68/71/46/176687146.db2.gz YAPWCZNGDIYMIB-GFCCVEGCSA-N 1 0 212.296 3.297 10 0 BGAERO Cc1nc([C@@H]([NH3+])C(C)C)sc1C(C)C ZINC000083347129 180040411 /nfs/dbraw/zinc/04/04/11/180040411.db2.gz FGQIQFLXRKPFHJ-VIFPVBQESA-N 1 0 212.362 3.231 10 0 BGAERO CCc1sc([C@H]([NH3+])C(C)(C)C)nc1C ZINC000083347139 172129849 /nfs/dbraw/zinc/12/98/49/172129849.db2.gz MRQQPFRIXFQDQJ-VIFPVBQESA-N 1 0 212.362 3.060 10 0 BGAERO CCCCOCCC[NH2+]C[C@@H](C)CCC ZINC000083348433 168895975 /nfs/dbraw/zinc/89/59/75/168895975.db2.gz AAUHEVXABPAUEG-ZDUSSCGKSA-N 1 0 215.381 3.219 10 0 BGAERO CCCCOCCC[NH2+]C[C@H](C)CCC ZINC000083348434 168895281 /nfs/dbraw/zinc/89/52/81/168895281.db2.gz AAUHEVXABPAUEG-CYBMUJFWSA-N 1 0 215.381 3.219 10 0 BGAERO CC[C@@H](C)[NH2+]Cc1cccc(F)c1Cl ZINC000083348470 170754346 /nfs/dbraw/zinc/75/43/46/170754346.db2.gz MKBVXQATMASLHC-MRVPVSSYSA-N 1 0 215.699 3.367 10 0 BGAERO CC[C@H](C)[NH2+]Cc1cccc(F)c1Cl ZINC000083348471 171343262 /nfs/dbraw/zinc/34/32/62/171343262.db2.gz MKBVXQATMASLHC-QMMMGPOBSA-N 1 0 215.699 3.367 10 0 BGAERO CC(C)C[NH2+]Cc1cccc(F)c1Cl ZINC000083348474 167009187 /nfs/dbraw/zinc/00/91/87/167009187.db2.gz DQLZMPVMKXTDSZ-UHFFFAOYSA-N 1 0 215.699 3.225 10 0 BGAERO CC(C)(C)[NH2+]Cc1cccc(Cl)c1F ZINC000083348477 384761919 /nfs/dbraw/zinc/76/19/19/384761919.db2.gz UDALXKRVPVKVQN-UHFFFAOYSA-N 1 0 215.699 3.367 10 0 BGAERO CC(C)[NH2+]Cc1ccc(F)c(Cl)c1F ZINC000083350189 167118359 /nfs/dbraw/zinc/11/83/59/167118359.db2.gz ZJEYMVYLVCBCRC-UHFFFAOYSA-N 1 0 219.662 3.116 10 0 BGAERO Clc1ccc2c(C[NH2+]C3CC3)c[nH]c2c1 ZINC000083350898 180585343 /nfs/dbraw/zinc/58/53/43/180585343.db2.gz NSGPLYHNMCQZKQ-UHFFFAOYSA-N 1 0 220.703 3.073 10 0 BGAERO CCC[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083352322 169265292 /nfs/dbraw/zinc/26/52/92/169265292.db2.gz UEVVOODTZAEULM-UHFFFAOYSA-N 1 0 222.719 3.321 10 0 BGAERO CC(C)[NH2+]Cc1c[nH]c2cc(Cl)ccc12 ZINC000083352323 167116559 /nfs/dbraw/zinc/11/65/59/167116559.db2.gz XLVJKADUXXMZSE-UHFFFAOYSA-N 1 0 222.719 3.319 10 0 BGAERO C[NH2+]Cc1c(Cl)cccc1C(F)(F)F ZINC000083353019 173384586 /nfs/dbraw/zinc/38/45/86/173384586.db2.gz RLFMOITWKKIFRG-UHFFFAOYSA-N 1 0 223.625 3.078 10 0 BGAERO c1ccc(-c2ccc(C[NH2+]C3CC3)cc2)nc1 ZINC000083353533 183379774 /nfs/dbraw/zinc/37/97/74/183379774.db2.gz ANBBMEMNCXGVQJ-UHFFFAOYSA-N 1 0 224.307 3.001 10 0 BGAERO CCC[NH2+]Cc1ccc(-c2ccccn2)cc1 ZINC000083354849 169267251 /nfs/dbraw/zinc/26/72/51/169267251.db2.gz BHSMUKMFXXPIFX-UHFFFAOYSA-N 1 0 226.323 3.248 10 0 BGAERO CCCCCC[NH2+]Cc1cccnc1Cl ZINC000083355104 384762283 /nfs/dbraw/zinc/76/22/83/384762283.db2.gz NQABCGAKCQAKAG-UHFFFAOYSA-N 1 0 226.751 3.405 10 0 BGAERO Cc1cccc(C[NH2+]Cc2ccccc2)c1F ZINC000083356861 179095901 /nfs/dbraw/zinc/09/59/01/179095901.db2.gz UCRZNRUQXLUWSI-UHFFFAOYSA-N 1 0 229.298 3.424 10 0 BGAERO Cc1cc(C)cc(-c2csc([C@H](C)[NH3+])n2)c1 ZINC000083358992 177890009 /nfs/dbraw/zinc/89/00/09/177890009.db2.gz RSTFTLJEYQSAFP-JTQLQIEISA-N 1 0 232.352 3.447 10 0 BGAERO Clc1ncccc1C[NH2+]Cc1ccccc1 ZINC000083359346 384766082 /nfs/dbraw/zinc/76/60/82/384766082.db2.gz FIOBOCMNBKKGHS-UHFFFAOYSA-N 1 0 232.714 3.025 10 0 BGAERO Cc1cccc(C[NH2+]Cc2cccs2)c1F ZINC000083362399 179096747 /nfs/dbraw/zinc/09/67/47/179096747.db2.gz MQOMZOLBKPOWIH-UHFFFAOYSA-N 1 0 235.327 3.485 10 0 BGAERO COc1cc(C[NH2+]C2CCCCC2)ccc1F ZINC000083364985 174983290 /nfs/dbraw/zinc/98/32/90/174983290.db2.gz LNNCAKIAWXPYAM-UHFFFAOYSA-N 1 0 237.318 3.257 10 0 BGAERO CC[NH2+]Cc1cc(C(F)(F)F)ccc1Cl ZINC000083365276 170125085 /nfs/dbraw/zinc/12/50/85/170125085.db2.gz GLCAVZQZJIEQHI-UHFFFAOYSA-N 1 0 237.652 3.468 10 0 BGAERO CC[NH2+]Cc1c(Cl)cccc1C(F)(F)F ZINC000083365278 170124845 /nfs/dbraw/zinc/12/48/45/170124845.db2.gz MPIGKMVELJWXAY-UHFFFAOYSA-N 1 0 237.652 3.468 10 0 BGAERO [NH3+]CCCCc1nc2c(s1)CCCCCC2 ZINC000083366417 181378785 /nfs/dbraw/zinc/37/87/85/181378785.db2.gz KFFMDDHFGVYIES-UHFFFAOYSA-N 1 0 238.400 3.084 10 0 BGAERO Cc1nc(CC2(C[NH3+])CCCCC2)sc1C ZINC000083366423 179930611 /nfs/dbraw/zinc/93/06/11/179930611.db2.gz GBJWQJCVHRMQEM-UHFFFAOYSA-N 1 0 238.400 3.212 10 0 BGAERO CC[C@@H]1C[N@@H+]([C@@H]2CCCC[C@@H]2C)[C@H](CC)CN1 ZINC000083366447 171096626 /nfs/dbraw/zinc/09/66/26/171096626.db2.gz LVSIXPYLOBGBMP-GBJTYRQASA-N 1 0 238.419 3.028 10 0 BGAERO CC[C@@H]1C[N@@H+](C2CCCCCC2)[C@H](CC)CN1 ZINC000083366451 171076474 /nfs/dbraw/zinc/07/64/74/171076474.db2.gz UVPNEXPUEHZWOX-ZIAGYGMSSA-N 1 0 238.419 3.172 10 0 BGAERO CC[C@@H]1CN[C@H](C(C)C)C[N@@H+]1C1CCCCC1 ZINC000083366455 171101209 /nfs/dbraw/zinc/10/12/09/171101209.db2.gz ZUNGDZQAXPGERH-HIFRSBDPSA-N 1 0 238.419 3.028 10 0 BGAERO CC[C@@H]1CN[C@@H](C(C)C)C[N@@H+]1C1CCCCC1 ZINC000083366457 171100863 /nfs/dbraw/zinc/10/08/63/171100863.db2.gz ZUNGDZQAXPGERH-UKRRQHHQSA-N 1 0 238.419 3.028 10 0 BGAERO CC(C)[C@@H]1CN[C@@H](C)C[N@@H+]1C1CCCCCC1 ZINC000083366466 188141979 /nfs/dbraw/zinc/14/19/79/188141979.db2.gz DSLQNVMUTSETEJ-ZFWWWQNUSA-N 1 0 238.419 3.028 10 0 BGAERO CC[C@@H]1C[N@H+](C2CCCCC2)[C@H](C(C)C)CN1 ZINC000083366467 171076379 /nfs/dbraw/zinc/07/63/79/171076379.db2.gz JOVAQHAYTPWRNX-HIFRSBDPSA-N 1 0 238.419 3.028 10 0 BGAERO CC[C@@H]1C[NH2+]CCN1c1ccc2ccccc2c1 ZINC000083368642 535825364 /nfs/dbraw/zinc/82/53/64/535825364.db2.gz UKWKXPMUHISORO-OAHLLOKOSA-N 1 0 240.350 3.028 10 0 BGAERO CC(C)[C@@H]1C[N@@H+](C(C)(C)CC(C)(C)C)CCN1 ZINC000083368719 188142567 /nfs/dbraw/zinc/14/25/67/188142567.db2.gz ITBOCAPPPULRTD-ZDUSSCGKSA-N 1 0 240.435 3.131 10 0 BGAERO CC[C@@H]1C[N@@H+](C(C)(C)CC(C)(C)C)[C@H](C)CN1 ZINC000083368725 171073430 /nfs/dbraw/zinc/07/34/30/171073430.db2.gz KWOCVLCULPMHLH-CHWSQXEVSA-N 1 0 240.435 3.274 10 0 BGAERO CC[C@@H]1CN[C@H](C)C[N@@H+]1C(C)(C)CC(C)(C)C ZINC000083368731 171101994 /nfs/dbraw/zinc/10/19/94/171101994.db2.gz SXZOFURYODSKGG-CHWSQXEVSA-N 1 0 240.435 3.274 10 0 BGAERO CC[C@@H]1CN[C@@H](C)C[N@@H+]1C(C)(C)CC(C)(C)C ZINC000083368733 171101884 /nfs/dbraw/zinc/10/18/84/171101884.db2.gz SXZOFURYODSKGG-QWHCGFSZSA-N 1 0 240.435 3.274 10 0 BGAERO CC(C)[C@@H]1CNCC[N@@H+]1C(C)(C)CC(C)(C)C ZINC000083368739 187284926 /nfs/dbraw/zinc/28/49/26/187284926.db2.gz ZHNBNFLGUNLUCQ-ZDUSSCGKSA-N 1 0 240.435 3.131 10 0 BGAERO CCC[NH2+]Cc1cc(Br)ccc1C ZINC000083370028 169265970 /nfs/dbraw/zinc/26/59/70/169265970.db2.gz AKOZJFCPEYMXEF-UHFFFAOYSA-N 1 0 242.160 3.257 10 0 BGAERO CCC[NH2+]CCc1c(OC)ccc2ccccc21 ZINC000083371987 169261282 /nfs/dbraw/zinc/26/12/82/169261282.db2.gz MIACWKIMOFEUKT-UHFFFAOYSA-N 1 0 243.350 3.391 10 0 BGAERO CCCCc1nc(Cl)c(C[NH2+][C@@H](C)CC)[nH]1 ZINC000083372206 169026859 /nfs/dbraw/zinc/02/68/59/169026859.db2.gz KLWAWAXATZFUKI-VIFPVBQESA-N 1 0 243.782 3.294 10 0 BGAERO CCCCc1nc(Cl)c(C[NH2+][C@H](C)CC)[nH]1 ZINC000083372207 169026291 /nfs/dbraw/zinc/02/62/91/169026291.db2.gz KLWAWAXATZFUKI-SECBINFHSA-N 1 0 243.782 3.294 10 0 BGAERO CCCCc1nc(Cl)c(C[NH2+]CC(C)C)[nH]1 ZINC000083372208 169026381 /nfs/dbraw/zinc/02/63/81/169026381.db2.gz FPUQFCTZLPSSBS-UHFFFAOYSA-N 1 0 243.782 3.151 10 0 BGAERO CCCCc1nc(Cl)c(C[NH2+]C(C)(C)C)[nH]1 ZINC000083372210 169026489 /nfs/dbraw/zinc/02/64/89/169026489.db2.gz LQBNOYNXMAQBKJ-UHFFFAOYSA-N 1 0 243.782 3.294 10 0 BGAERO [NH3+]Cc1ccc(-c2csc(CC3CC3)n2)cc1 ZINC000083373069 181479502 /nfs/dbraw/zinc/47/95/02/181479502.db2.gz UOUBOVGBWMNJRN-UHFFFAOYSA-N 1 0 244.363 3.221 10 0 BGAERO [NH3+]Cc1cccc(-c2csc(CC3CC3)n2)c1 ZINC000083373070 181487758 /nfs/dbraw/zinc/48/77/58/181487758.db2.gz IFNZGAWOKNOKCU-UHFFFAOYSA-N 1 0 244.363 3.221 10 0 BGAERO Cc1ccc(F)cc1C[NH2+]Cc1ccc(O)cc1 ZINC000083373958 388049841 /nfs/dbraw/zinc/04/98/41/388049841.db2.gz DCEIWJUUCFYMRN-UHFFFAOYSA-N 1 0 245.297 3.130 10 0 BGAERO Cc1ccccc1-c1csc(CCCC[NH3+])n1 ZINC000083375639 179236193 /nfs/dbraw/zinc/23/61/93/179236193.db2.gz AIIDFWXOFDXCGA-UHFFFAOYSA-N 1 0 246.379 3.400 10 0 BGAERO Cc1nc([C@@H]([NH3+])c2c(C)cccc2C)sc1C ZINC000083375664 179051451 /nfs/dbraw/zinc/05/14/51/179051451.db2.gz XSBGLKLJOZJWNS-ZDUSSCGKSA-N 1 0 246.379 3.425 10 0 BGAERO Cc1nc([C@H]([NH3+])c2c(C)cccc2C)sc1C ZINC000083375665 179049626 /nfs/dbraw/zinc/04/96/26/179049626.db2.gz XSBGLKLJOZJWNS-CYBMUJFWSA-N 1 0 246.379 3.425 10 0 BGAERO CC[C@H]1CN(c2ccccc2C(C)(C)C)CC[NH2+]1 ZINC000083375700 132424542 /nfs/dbraw/zinc/42/45/42/132424542.db2.gz RENAADGZRTWOMX-ZDUSSCGKSA-N 1 0 246.398 3.172 10 0 BGAERO CC(C)c1cccc(N2CC[NH2+][C@H](C(C)C)C2)c1 ZINC000083375707 132424330 /nfs/dbraw/zinc/42/43/30/132424330.db2.gz NKJLBYAXLLLPMB-INIZCTEOSA-N 1 0 246.398 3.244 10 0 BGAERO CC(C)c1cccc(N2CC[NH2+][C@@H](C(C)C)C2)c1 ZINC000083375708 132424340 /nfs/dbraw/zinc/42/43/40/132424340.db2.gz NKJLBYAXLLLPMB-MRXNPFEDSA-N 1 0 246.398 3.244 10 0 BGAERO CC(C)c1ccccc1N1CC[NH2+][C@@H](C(C)C)C1 ZINC000083375716 132424381 /nfs/dbraw/zinc/42/43/81/132424381.db2.gz CUUBCKHTKNVRJO-OAHLLOKOSA-N 1 0 246.398 3.244 10 0 BGAERO CCCCc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000083375734 132424539 /nfs/dbraw/zinc/42/45/39/132424539.db2.gz IPRBDIUAOBUENY-KGLIPLIRSA-N 1 0 246.398 3.216 10 0 BGAERO C[C@@H]1CN(c2ccccc2C(C)(C)C)[C@@H](C)C[NH2+]1 ZINC000083375736 132424448 /nfs/dbraw/zinc/42/44/48/132424448.db2.gz UMWOZEKUHDTIFP-OLZOCXBDSA-N 1 0 246.398 3.171 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](C)CN1c1ccccc1C(C)(C)C ZINC000083375737 132424397 /nfs/dbraw/zinc/42/43/97/132424397.db2.gz UMWOZEKUHDTIFP-QWHCGFSZSA-N 1 0 246.398 3.171 10 0 BGAERO Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cc1C ZINC000083375770 132424096 /nfs/dbraw/zinc/42/40/96/132424096.db2.gz CVIRLKXGOXJISS-HOCLYGCPSA-N 1 0 246.398 3.126 10 0 BGAERO CCc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083375775 132424258 /nfs/dbraw/zinc/42/42/58/132424258.db2.gz JHPKTEVAYLFLNP-XJKSGUPXSA-N 1 0 246.398 3.072 10 0 BGAERO CCc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)cc1 ZINC000083375776 132424179 /nfs/dbraw/zinc/42/41/79/132424179.db2.gz JHPKTEVAYLFLNP-BBRMVZONSA-N 1 0 246.398 3.072 10 0 BGAERO Cc1ccc(C)c(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)c1 ZINC000083375777 132423941 /nfs/dbraw/zinc/42/39/41/132423941.db2.gz XWWGERFYTBFYLO-LSDHHAIUSA-N 1 0 246.398 3.126 10 0 BGAERO Cc1ccc(N2C[C@H](C(C)C)[NH2+]C[C@@H]2C)c(C)c1 ZINC000083375781 132424525 /nfs/dbraw/zinc/42/45/25/132424525.db2.gz PWBVFEMGMZKRKR-LSDHHAIUSA-N 1 0 246.398 3.126 10 0 BGAERO Cc1ccc(N2C[C@@H](C(C)C)[NH2+]C[C@@H]2C)c(C)c1 ZINC000083375782 132424452 /nfs/dbraw/zinc/42/44/52/132424452.db2.gz PWBVFEMGMZKRKR-GJZGRUSLSA-N 1 0 246.398 3.126 10 0 BGAERO CC[C@H]1C[NH2+]CCN1c1ccc(C(C)(C)C)cc1 ZINC000083375796 132424480 /nfs/dbraw/zinc/42/44/80/132424480.db2.gz FFXOBRDBOPMYOR-AWEZNQCLSA-N 1 0 246.398 3.172 10 0 BGAERO CCCCc1ccc(N2CC[NH2+]C[C@@H]2CC)cc1 ZINC000083375801 132424167 /nfs/dbraw/zinc/42/41/67/132424167.db2.gz XHLZZFCMGVLLBD-HNNXBMFYSA-N 1 0 246.398 3.217 10 0 BGAERO CC[C@H]1C[NH2+][C@H](C)CN1c1ccccc1C(C)C ZINC000083375830 536170046 /nfs/dbraw/zinc/17/00/46/536170046.db2.gz ITBAXPUXOBHPBF-KGLIPLIRSA-N 1 0 246.398 3.387 10 0 BGAERO CC[C@@H]1C[NH2+][C@H](C)CN1c1ccc(C(C)C)cc1 ZINC000083375833 132424487 /nfs/dbraw/zinc/42/44/87/132424487.db2.gz IQHDVUNJDSPNCW-UKRRQHHQSA-N 1 0 246.398 3.387 10 0 BGAERO CC[C@@H]1CN(c2ccc(C)c(C)c2)[C@H](CC)C[NH2+]1 ZINC000083375849 132424183 /nfs/dbraw/zinc/42/41/83/132424183.db2.gz DOYJMVQGIKPPQL-HUUCEWRRSA-N 1 0 246.398 3.270 10 0 BGAERO CC[C@H]1CN(c2cc(C)cc(C)c2)[C@@H](CC)C[NH2+]1 ZINC000083375860 132424038 /nfs/dbraw/zinc/42/40/38/132424038.db2.gz ANYDQJKKKYLCIC-GJZGRUSLSA-N 1 0 246.398 3.270 10 0 BGAERO CCc1ccc(N2C[C@H](CC)[NH2+]C[C@@H]2CC)cc1 ZINC000083375861 132424512 /nfs/dbraw/zinc/42/45/12/132424512.db2.gz PTXLYMGTRKIMBD-GJZGRUSLSA-N 1 0 246.398 3.216 10 0 BGAERO CCc1ccc(N2C[C@@H](CC)[NH2+]C[C@@H]2CC)cc1 ZINC000083375862 132424138 /nfs/dbraw/zinc/42/41/38/132424138.db2.gz PTXLYMGTRKIMBD-CABCVRRESA-N 1 0 246.398 3.216 10 0 BGAERO CC[C@@H]1CN(c2cccc(C)c2C)[C@@H](CC)C[NH2+]1 ZINC000083375868 132423898 /nfs/dbraw/zinc/42/38/98/132423898.db2.gz YEAUDHVWZSFWCS-CABCVRRESA-N 1 0 246.398 3.270 10 0 BGAERO CC[C@@H]1CN(c2ccc(C)cc2C)[C@H](CC)C[NH2+]1 ZINC000083375871 132424233 /nfs/dbraw/zinc/42/42/33/132424233.db2.gz IHDHZTAQZWLSCV-HUUCEWRRSA-N 1 0 246.398 3.270 10 0 BGAERO CC[C@@H]1CN([C@@H](C)c2ccccc2)[C@H](CC)C[NH2+]1 ZINC000083375885 171093658 /nfs/dbraw/zinc/09/36/58/171093658.db2.gz WFOXFPLNYITWTM-NUEKZKHPSA-N 1 0 246.398 3.210 10 0 BGAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccccc1C ZINC000083375895 132424611 /nfs/dbraw/zinc/42/46/11/132424611.db2.gz PEDVSBPAEBEQBL-CABCVRRESA-N 1 0 246.398 3.208 10 0 BGAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1ccc(C)cc1 ZINC000083375899 132424953 /nfs/dbraw/zinc/42/49/53/132424953.db2.gz HHECXYBXAMLJCW-ZBFHGGJFSA-N 1 0 246.398 3.208 10 0 BGAERO CC[C@@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C)cc1 ZINC000083375901 535825325 /nfs/dbraw/zinc/82/53/25/535825325.db2.gz HHECXYBXAMLJCW-GDBMZVCRSA-N 1 0 246.398 3.208 10 0 BGAERO CC[C@H]1C[NH2+][C@@H](C(C)C)CN1c1ccc(C)cc1 ZINC000083375902 132425058 /nfs/dbraw/zinc/42/50/58/132425058.db2.gz HHECXYBXAMLJCW-GOEBONIOSA-N 1 0 246.398 3.208 10 0 BGAERO CC[C@@H]1C[NH2+][C@H](C(C)C)CN1c1cccc(C)c1 ZINC000083375903 132425246 /nfs/dbraw/zinc/42/52/46/132425246.db2.gz NIGYUBMQDYCYJR-ZBFHGGJFSA-N 1 0 246.398 3.208 10 0 BGAERO CC(C)c1ccccc1N1CC[NH2+]C[C@@H]1C(C)C ZINC000083375915 132425060 /nfs/dbraw/zinc/42/50/60/132425060.db2.gz QMSHKOBHWYALFC-MRXNPFEDSA-N 1 0 246.398 3.244 10 0 BGAERO CC(C)c1ccc(N2CC[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083375917 132424817 /nfs/dbraw/zinc/42/48/17/132424817.db2.gz MARBBSLTMUOCHV-MRXNPFEDSA-N 1 0 246.398 3.244 10 0 BGAERO Cc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)cc1C ZINC000083375928 132424976 /nfs/dbraw/zinc/42/49/76/132424976.db2.gz NLINIQWJKPTEEI-GDBMZVCRSA-N 1 0 246.398 3.126 10 0 BGAERO CCc1ccc(N2C[C@H](C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083375933 132424843 /nfs/dbraw/zinc/42/48/43/132424843.db2.gz BWFJXUSKIPSDOH-XJKSGUPXSA-N 1 0 246.398 3.072 10 0 BGAERO CCc1ccc(N2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)cc1 ZINC000083375934 132424806 /nfs/dbraw/zinc/42/48/06/132424806.db2.gz BWFJXUSKIPSDOH-CZUORRHYSA-N 1 0 246.398 3.072 10 0 BGAERO Cc1ccc(C)c(N2C[C@H](C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083375935 132425066 /nfs/dbraw/zinc/42/50/66/132425066.db2.gz FYHJRLZOUUODLA-GOEBONIOSA-N 1 0 246.398 3.126 10 0 BGAERO Cc1cccc(N2C[C@H](C)[NH2+]C[C@@H]2C(C)C)c1C ZINC000083375937 132425116 /nfs/dbraw/zinc/42/51/16/132425116.db2.gz FUFIFRHHYJXZHE-XJKSGUPXSA-N 1 0 246.398 3.126 10 0 BGAERO CCc1cccc(N2C[C@@H](C)[NH2+]C[C@@H]2C(C)C)c1 ZINC000083375944 535892328 /nfs/dbraw/zinc/89/23/28/535892328.db2.gz LXJNVUKGWICQON-CZUORRHYSA-N 1 0 246.398 3.072 10 0 BGAERO CC[C@@H]1CN(c2ccc(C)cc2)[C@H](C(C)C)C[NH2+]1 ZINC000083375947 132425062 /nfs/dbraw/zinc/42/50/62/132425062.db2.gz KCUIHZUFEDMUAD-ZBFHGGJFSA-N 1 0 246.398 3.208 10 0 BGAERO CC[C@@H]1CN(c2cccc(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083375949 132424983 /nfs/dbraw/zinc/42/49/83/132424983.db2.gz ZGDFLKBOXKSJFD-ZBFHGGJFSA-N 1 0 246.398 3.208 10 0 BGAERO CC[C@H]1CN(c2cccc(C)c2)[C@H](C(C)C)C[NH2+]1 ZINC000083375950 536161906 /nfs/dbraw/zinc/16/19/06/536161906.db2.gz ZGDFLKBOXKSJFD-HOCLYGCPSA-N 1 0 246.398 3.208 10 0 BGAERO CC(C)[C@@H]1CN(c2ccccc2)[C@@H](C(C)C)C[NH2+]1 ZINC000083375952 132424848 /nfs/dbraw/zinc/42/48/48/132424848.db2.gz CFSIHZGAEWLZJQ-JKSUJKDBSA-N 1 0 246.398 3.145 10 0 BGAERO Cc1ccccc1C[NH2+]Cc1ccncc1Cl ZINC000083376157 179282917 /nfs/dbraw/zinc/28/29/17/179282917.db2.gz XDZBHSRVDTVKMO-UHFFFAOYSA-N 1 0 246.741 3.333 10 0 BGAERO CC[NH2+]Cc1cc(Cl)ccc1Br ZINC000083379694 170125298 /nfs/dbraw/zinc/12/52/98/170125298.db2.gz IYTWEPPYHRFHOD-UHFFFAOYSA-N 1 0 248.551 3.212 10 0 BGAERO CC[NH2+]Cc1cc(Cl)cc(Br)c1 ZINC000083379695 170125251 /nfs/dbraw/zinc/12/52/51/170125251.db2.gz LTNKZSLGJMFWSE-UHFFFAOYSA-N 1 0 248.551 3.212 10 0 BGAERO CCC[C@@H]([NH3+])C[C@@H](C)Oc1ccccc1C ZINC000083422675 169393339 /nfs/dbraw/zinc/39/33/39/169393339.db2.gz WWNLMBIVVPJCLO-CHWSQXEVSA-N 1 0 221.344 3.280 10 0 BGAERO CCC[C@@H]([NH3+])C[C@H](C)Oc1ccccc1C ZINC000083422678 169393254 /nfs/dbraw/zinc/39/32/54/169393254.db2.gz WWNLMBIVVPJCLO-QWHCGFSZSA-N 1 0 221.344 3.280 10 0 BGAERO CCSC[C@H]([NH3+])CCCc1ccccc1 ZINC000083485203 538508267 /nfs/dbraw/zinc/50/82/67/538508267.db2.gz ZNUPFQWSOQEINI-CYBMUJFWSA-N 1 0 223.385 3.090 10 0 BGAERO CCSC[C@@H]([NH3+])CCCc1ccccc1 ZINC000083485204 538508488 /nfs/dbraw/zinc/50/84/88/538508488.db2.gz ZNUPFQWSOQEINI-ZDUSSCGKSA-N 1 0 223.385 3.090 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+]CCC1CCCCC1 ZINC000083526282 491162048 /nfs/dbraw/zinc/16/20/48/491162048.db2.gz QVCUWOYWJCWHAH-AWEZNQCLSA-N 1 0 225.376 3.116 10 0 BGAERO C(C[C@H]1CCCO1)[NH2+]CCC1CCCCC1 ZINC000083526283 491162051 /nfs/dbraw/zinc/16/20/51/491162051.db2.gz QVCUWOYWJCWHAH-CQSZACIVSA-N 1 0 225.376 3.116 10 0 BGAERO CC(C)CCC[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000083526425 491126390 /nfs/dbraw/zinc/12/63/90/491126390.db2.gz GRILHCWDZFMSQE-KGLIPLIRSA-N 1 0 227.392 3.360 10 0 BGAERO CC(C)CCC[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000083526426 491162057 /nfs/dbraw/zinc/16/20/57/491162057.db2.gz GRILHCWDZFMSQE-KBPBESRZSA-N 1 0 227.392 3.360 10 0 BGAERO CC(C)CCC[C@@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000083526427 491162060 /nfs/dbraw/zinc/16/20/60/491162060.db2.gz GRILHCWDZFMSQE-ZIAGYGMSSA-N 1 0 227.392 3.360 10 0 BGAERO CC(C)CCC[C@H](C)[NH2+]CC[C@H]1CCCO1 ZINC000083526428 491162068 /nfs/dbraw/zinc/16/20/68/491162068.db2.gz GRILHCWDZFMSQE-UONOGXRCSA-N 1 0 227.392 3.360 10 0 BGAERO Cc1nc(Oc2ccc(C[NH3+])cc2)sc1C ZINC000083533219 487918784 /nfs/dbraw/zinc/91/87/84/487918784.db2.gz KUGYRVUVNQJJSW-UHFFFAOYSA-N 1 0 234.324 3.011 10 0 BGAERO [NH3+][C@H]1C=C(c2ccc(Cl)cc2)CCC1 ZINC000083545042 538513723 /nfs/dbraw/zinc/51/37/23/538513723.db2.gz DBBHBZAPCNREEC-GFCCVEGCSA-N 1 0 207.704 3.235 10 0 BGAERO [NH3+][C@@H]1C=C(c2ccc(Cl)cc2)CCC1 ZINC000083545043 538514202 /nfs/dbraw/zinc/51/42/02/538514202.db2.gz DBBHBZAPCNREEC-LBPRGKRZSA-N 1 0 207.704 3.235 10 0 BGAERO CC(C)Cc1ccc([C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000083591823 188122812 /nfs/dbraw/zinc/12/28/12/188122812.db2.gz VQRWGGNUBKREMM-NWDGAFQWSA-N 1 0 205.345 3.336 10 0 BGAERO CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH3+])cc1 ZINC000083591826 187268471 /nfs/dbraw/zinc/26/84/71/187268471.db2.gz VQRWGGNUBKREMM-VXGBXAGGSA-N 1 0 205.345 3.336 10 0 BGAERO CC(C)Cc1ccc([C@@H](C)[C@H](C)[NH3+])cc1 ZINC000083591829 188296244 /nfs/dbraw/zinc/29/62/44/188296244.db2.gz VQRWGGNUBKREMM-RYUDHWBXSA-N 1 0 205.345 3.336 10 0 BGAERO CC(C)Cc1ccc([C@H](C)[C@H](C)[NH3+])cc1 ZINC000083591831 188123079 /nfs/dbraw/zinc/12/30/79/188123079.db2.gz VQRWGGNUBKREMM-NEPJUHHUSA-N 1 0 205.345 3.336 10 0 BGAERO C[C@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000083592591 384784606 /nfs/dbraw/zinc/78/46/06/384784606.db2.gz KRCZPHITDAGPPK-NSHDSACASA-N 1 0 213.280 3.499 10 0 BGAERO C[C@@H]([NH3+])c1cccc(Oc2ccccc2)c1 ZINC000083592593 384784423 /nfs/dbraw/zinc/78/44/23/384784423.db2.gz KRCZPHITDAGPPK-LLVKDONJSA-N 1 0 213.280 3.499 10 0 BGAERO C[C@@H]([NH3+])c1ccc(Cl)c(Br)c1 ZINC000083592910 175816936 /nfs/dbraw/zinc/81/69/36/175816936.db2.gz HPKWUYBLTFXKQP-RXMQYKEDSA-N 1 0 234.524 3.122 10 0 BGAERO CC(C)[C@@H]1[NH2+]CCc2cccc(Cl)c21 ZINC000083594608 188009302 /nfs/dbraw/zinc/00/93/02/188009302.db2.gz MFJLRGGOUMHSOP-LBPRGKRZSA-N 1 0 209.720 3.183 10 0 BGAERO CC(C)[C@@H]1[NH2+]CCc2cc(Cl)ccc21 ZINC000083594610 187320140 /nfs/dbraw/zinc/32/01/40/187320140.db2.gz XPDSQQXLCGIUIW-LBPRGKRZSA-N 1 0 209.720 3.183 10 0 BGAERO CCC[C@@H](C)[C@H]1[NH2+]CCc2ccc(O)cc21 ZINC000083595471 169374397 /nfs/dbraw/zinc/37/43/97/169374397.db2.gz VYYONCLCECCUOA-QMTHXVAHSA-N 1 0 219.328 3.015 10 0 BGAERO CCC[C@H](C)[C@H]1[NH2+]CCc2ccc(O)cc21 ZINC000083595473 169495816 /nfs/dbraw/zinc/49/58/16/169495816.db2.gz VYYONCLCECCUOA-IINYFYTJSA-N 1 0 219.328 3.015 10 0 BGAERO CCC[C@@H](C)[C@@H]1[NH2+]CCc2ccc(O)cc21 ZINC000083595475 169373350 /nfs/dbraw/zinc/37/33/50/169373350.db2.gz VYYONCLCECCUOA-YGRLFVJLSA-N 1 0 219.328 3.015 10 0 BGAERO Oc1ccc2c(c1)[C@H](C1CCCCC1)[NH2+]CC2 ZINC000083595497 183281769 /nfs/dbraw/zinc/28/17/69/183281769.db2.gz OBZVHRMHIDENDV-HNNXBMFYSA-N 1 0 231.339 3.159 10 0 BGAERO Oc1ccc2c(c1)[C@@H](C1CCCCC1)[NH2+]CC2 ZINC000083595498 183281382 /nfs/dbraw/zinc/28/13/82/183281382.db2.gz OBZVHRMHIDENDV-OAHLLOKOSA-N 1 0 231.339 3.159 10 0 BGAERO CCC[C@@H](C)[C@@H]1[NH2+]CCc2c(OC)cccc21 ZINC000083597215 169372958 /nfs/dbraw/zinc/37/29/58/169372958.db2.gz LQOFZXZYORLBPP-ABAIWWIYSA-N 1 0 233.355 3.318 10 0 BGAERO CCC(CC)[C@H]1[NH2+]CCc2c(OC)cccc21 ZINC000083597271 168409066 /nfs/dbraw/zinc/40/90/66/168409066.db2.gz YQKPWWRLMGKKER-OAHLLOKOSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@@H](C)[C@H]1[NH2+]CCc2cc(OC)ccc21 ZINC000083597613 169374367 /nfs/dbraw/zinc/37/43/67/169374367.db2.gz APHDEZMDZBLQNR-IAQYHMDHSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@@H](C)[C@@H]1[NH2+]CCc2cc(OC)ccc21 ZINC000083597620 169372913 /nfs/dbraw/zinc/37/29/13/169372913.db2.gz APHDEZMDZBLQNR-ABAIWWIYSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@H](C)[C@@H]1[NH2+]CCc2cc(OC)ccc21 ZINC000083597623 169494770 /nfs/dbraw/zinc/49/47/70/169494770.db2.gz APHDEZMDZBLQNR-NHYWBVRUSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@@H](C)[C@H]1[NH2+]CCc2ccc(OC)cc21 ZINC000083619089 169374143 /nfs/dbraw/zinc/37/41/43/169374143.db2.gz LWSUAIGGWHGWHL-IAQYHMDHSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@@H](C)[C@@H]1[NH2+]CCc2ccc(OC)cc21 ZINC000083619091 169373237 /nfs/dbraw/zinc/37/32/37/169373237.db2.gz LWSUAIGGWHGWHL-ABAIWWIYSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@H](C)[C@@H]1[NH2+]CCc2ccc(OC)cc21 ZINC000083619092 169495024 /nfs/dbraw/zinc/49/50/24/169495024.db2.gz LWSUAIGGWHGWHL-NHYWBVRUSA-N 1 0 233.355 3.318 10 0 BGAERO CCC(CC)[C@H]1[NH2+]CCc2ccc(OC)cc21 ZINC000083619111 168409469 /nfs/dbraw/zinc/40/94/69/168409469.db2.gz TXUVQDQNMXALNZ-OAHLLOKOSA-N 1 0 233.355 3.318 10 0 BGAERO CCC(CC)[C@@H]1[NH2+]CCc2ccc(OC)cc21 ZINC000083619112 168403766 /nfs/dbraw/zinc/40/37/66/168403766.db2.gz TXUVQDQNMXALNZ-HNNXBMFYSA-N 1 0 233.355 3.318 10 0 BGAERO CCC[C@@H](C)[C@H]1[NH2+]CCc2cc3c(cc21)OCO3 ZINC000083624258 169374151 /nfs/dbraw/zinc/37/41/51/169374151.db2.gz HXAJOUGATVRBTO-MEBBXXQBSA-N 1 0 247.338 3.038 10 0 BGAERO CCC[C@@H](C)[C@@H]1[NH2+]CCc2cc3c(cc21)OCO3 ZINC000083624260 169372972 /nfs/dbraw/zinc/37/29/72/169372972.db2.gz HXAJOUGATVRBTO-BMIGLBTASA-N 1 0 247.338 3.038 10 0 BGAERO CCC[C@H](C)[C@@H]1[NH2+]CCc2cc3c(cc21)OCO3 ZINC000083624261 169495107 /nfs/dbraw/zinc/49/51/07/169495107.db2.gz HXAJOUGATVRBTO-BONVTDFDSA-N 1 0 247.338 3.038 10 0 BGAERO CC[C@@H]1[NH2+]CCc2ccc(Cl)c(F)c21 ZINC000083624643 171150988 /nfs/dbraw/zinc/15/09/88/171150988.db2.gz UOLCMVGXCUAQCO-VIFPVBQESA-N 1 0 213.683 3.076 10 0 BGAERO CC[C@@H]1[NH2+]CCc2cc(F)c(Cl)cc21 ZINC000083624645 171150223 /nfs/dbraw/zinc/15/02/23/171150223.db2.gz CRGMCSJLAOJLRS-NSHDSACASA-N 1 0 213.683 3.076 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(F)cc(Cl)cc21 ZINC000083624733 171150019 /nfs/dbraw/zinc/15/00/19/171150019.db2.gz XVQSXTSYEGZLIS-NSHDSACASA-N 1 0 213.683 3.076 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(Cl)cc(F)cc21 ZINC000083624965 171150266 /nfs/dbraw/zinc/15/02/66/171150266.db2.gz IQGHZJGNVUJILI-NSHDSACASA-N 1 0 213.683 3.076 10 0 BGAERO CC(C)C[C@H]1[NH2+]CCc2c(F)cc(F)c(F)c21 ZINC000083625028 188143588 /nfs/dbraw/zinc/14/35/88/188143588.db2.gz QXOZNSRDEVEXNO-LLVKDONJSA-N 1 0 243.272 3.337 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(F)c(Cl)ccc21 ZINC000083626175 171150926 /nfs/dbraw/zinc/15/09/26/171150926.db2.gz KBULLGRFSBVMLZ-JTQLQIEISA-N 1 0 213.683 3.076 10 0 BGAERO CC[C@@H]1[NH2+]CCc2cc(Cl)cc(F)c21 ZINC000083627045 171149944 /nfs/dbraw/zinc/14/99/44/171149944.db2.gz ZPABHQDGUSRPPH-JTQLQIEISA-N 1 0 213.683 3.076 10 0 BGAERO CC[C@@H]1[NH2+]CCc2cc(F)cc(Cl)c21 ZINC000083627047 171150144 /nfs/dbraw/zinc/15/01/44/171150144.db2.gz XIJNYMMUUUPVJP-JTQLQIEISA-N 1 0 213.683 3.076 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(C)ccc(Cl)c21 ZINC000083628292 171150103 /nfs/dbraw/zinc/15/01/03/171150103.db2.gz VDZMKNPCRBCKCE-NSHDSACASA-N 1 0 209.720 3.245 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(Cl)c(C)ccc21 ZINC000083628409 171150433 /nfs/dbraw/zinc/15/04/33/171150433.db2.gz GHDPMMWOMSGFSM-NSHDSACASA-N 1 0 209.720 3.245 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(F)ccc(Cl)c21 ZINC000083628717 171150185 /nfs/dbraw/zinc/15/01/85/171150185.db2.gz SXFPIPIKNTYBDX-JTQLQIEISA-N 1 0 213.683 3.076 10 0 BGAERO CC[C@@H]1[NH2+]CCc2c(Cl)c(F)ccc21 ZINC000083655814 171151034 /nfs/dbraw/zinc/15/10/34/171151034.db2.gz JMBQEOMRXTXTAM-JTQLQIEISA-N 1 0 213.683 3.076 10 0 BGAERO COc1cccc2c1CC[NH2+][C@@H]2C1CCCC1 ZINC000083665603 175301039 /nfs/dbraw/zinc/30/10/39/175301039.db2.gz XHYRJSVVELAHAT-OAHLLOKOSA-N 1 0 231.339 3.072 10 0 BGAERO COc1cccc2c1CC[NH2+][C@H]2C1CCCC1 ZINC000083665604 175302734 /nfs/dbraw/zinc/30/27/34/175302734.db2.gz XHYRJSVVELAHAT-HNNXBMFYSA-N 1 0 231.339 3.072 10 0 BGAERO CCCC[C@H]1[NH2+]CCc2c(OC)cccc21 ZINC000083665769 169015371 /nfs/dbraw/zinc/01/53/71/169015371.db2.gz BITIKSOTFLBROY-CYBMUJFWSA-N 1 0 219.328 3.072 10 0 BGAERO COc1ccc2c(c1)CC[NH2+][C@@H]2C1CCCC1 ZINC000083666071 175208804 /nfs/dbraw/zinc/20/88/04/175208804.db2.gz LLYFKFBABHNHID-OAHLLOKOSA-N 1 0 231.339 3.072 10 0 BGAERO COc1ccc2c(c1)CC[NH2+][C@H]2C1CCCC1 ZINC000083666072 175209244 /nfs/dbraw/zinc/20/92/44/175209244.db2.gz LLYFKFBABHNHID-HNNXBMFYSA-N 1 0 231.339 3.072 10 0 BGAERO CCCC[C@H]1[NH2+]CCc2cc(OC)ccc21 ZINC000083666401 169014979 /nfs/dbraw/zinc/01/49/79/169014979.db2.gz GJCUKOFDTYTDGX-CQSZACIVSA-N 1 0 219.328 3.072 10 0 BGAERO C/C=C/[C@@H]1[NH2+]CCc2ccc(Cl)cc21 ZINC000083667140 187320396 /nfs/dbraw/zinc/32/03/96/187320396.db2.gz DJZIRVUCKBBMSY-JDGPPOGSSA-N 1 0 207.704 3.103 10 0 BGAERO C/C=C/[C@H]1[NH2+]CCc2c(Cl)cccc21 ZINC000083667473 188010446 /nfs/dbraw/zinc/01/04/46/188010446.db2.gz VZTYJXKVQGMFBQ-FXMSTWTQSA-N 1 0 207.704 3.103 10 0 BGAERO CC[NH2+]CCCCc1ccc(OC)cc1Cl ZINC000083688054 170112618 /nfs/dbraw/zinc/11/26/18/170112618.db2.gz INFAZTDCUZPKNL-UHFFFAOYSA-N 1 0 241.762 3.281 10 0 BGAERO COc1ccc2c(c1)[C@H](C1CCCC1)[NH2+]CC2 ZINC000083695999 175215063 /nfs/dbraw/zinc/21/50/63/175215063.db2.gz NFNMXNYSVUWUCX-HNNXBMFYSA-N 1 0 231.339 3.072 10 0 BGAERO COc1ccc2c(c1)[C@@H](C1CCCC1)[NH2+]CC2 ZINC000083696002 175213878 /nfs/dbraw/zinc/21/38/78/175213878.db2.gz NFNMXNYSVUWUCX-OAHLLOKOSA-N 1 0 231.339 3.072 10 0 BGAERO CCCC[C@H]1[NH2+]CCc2ccc(OC)cc21 ZINC000083696510 169015116 /nfs/dbraw/zinc/01/51/16/169015116.db2.gz MOSFCPZQIKTFDS-CQSZACIVSA-N 1 0 219.328 3.072 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000083698402 256562282 /nfs/dbraw/zinc/56/22/82/256562282.db2.gz JISXGKXVDLTXEQ-HQJQHLMTSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000083698405 384794142 /nfs/dbraw/zinc/79/41/42/384794142.db2.gz JISXGKXVDLTXEQ-CPCISQLKSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000083698407 384794004 /nfs/dbraw/zinc/79/40/04/384794004.db2.gz JISXGKXVDLTXEQ-RDDDGLTNSA-N 1 0 230.138 3.491 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(Cl)ccc1Cl ZINC000083698409 387421662 /nfs/dbraw/zinc/42/16/62/387421662.db2.gz JISXGKXVDLTXEQ-WRWORJQWSA-N 1 0 230.138 3.491 10 0 BGAERO CC(C)(C)[NH2+]Cc1cc2cc(F)ccc2o1 ZINC000083820199 133560998 /nfs/dbraw/zinc/56/09/98/133560998.db2.gz JCVHKYAKWZOFIU-UHFFFAOYSA-N 1 0 221.275 3.460 10 0 BGAERO COc1cccc2cc([C@@H]([NH3+])C(C)C)oc21 ZINC000083821123 538524562 /nfs/dbraw/zinc/52/45/62/538524562.db2.gz MNFGGGLXNXMNKN-LBPRGKRZSA-N 1 0 219.284 3.097 10 0 BGAERO COc1cccc2cc([C@H]([NH3+])C(C)C)oc21 ZINC000083821125 538524070 /nfs/dbraw/zinc/52/40/70/538524070.db2.gz MNFGGGLXNXMNKN-GFCCVEGCSA-N 1 0 219.284 3.097 10 0 BGAERO CCC[C@H]([NH3+])c1cc2cccc(OC)c2o1 ZINC000083821127 538523946 /nfs/dbraw/zinc/52/39/46/538523946.db2.gz HXIOWPJCIPQETL-JTQLQIEISA-N 1 0 219.284 3.241 10 0 BGAERO CCC[C@@H]([NH3+])c1cc2cccc(OC)c2o1 ZINC000083821129 538524762 /nfs/dbraw/zinc/52/47/62/538524762.db2.gz HXIOWPJCIPQETL-SNVBAGLBSA-N 1 0 219.284 3.241 10 0 BGAERO CC(C)[C@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000083821134 538524892 /nfs/dbraw/zinc/52/48/92/538524892.db2.gz XPRQXNBSLFNTLN-NSHDSACASA-N 1 0 207.248 3.228 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000083821136 538523958 /nfs/dbraw/zinc/52/39/58/538523958.db2.gz XPRQXNBSLFNTLN-LLVKDONJSA-N 1 0 207.248 3.228 10 0 BGAERO CCC[C@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000083821144 538524145 /nfs/dbraw/zinc/52/41/45/538524145.db2.gz WKMRKVCEOAOLOK-JTQLQIEISA-N 1 0 207.248 3.372 10 0 BGAERO CCC[C@@H]([NH3+])c1cc2cccc(F)c2o1 ZINC000083821146 538523904 /nfs/dbraw/zinc/52/39/04/538523904.db2.gz WKMRKVCEOAOLOK-SNVBAGLBSA-N 1 0 207.248 3.372 10 0 BGAERO Cc1cccc2cc([C@H]([NH3+])C(C)C)oc21 ZINC000083821198 538524662 /nfs/dbraw/zinc/52/46/62/538524662.db2.gz NLUUBGOHZRYWIM-GFCCVEGCSA-N 1 0 203.285 3.397 10 0 BGAERO Cc1cccc2cc([C@@H]([NH3+])C(C)C)oc21 ZINC000083821200 538524627 /nfs/dbraw/zinc/52/46/27/538524627.db2.gz NLUUBGOHZRYWIM-LBPRGKRZSA-N 1 0 203.285 3.397 10 0 BGAERO COc1ccc2oc([C@@H]([NH3+])C(C)C)cc2c1 ZINC000083821225 538523939 /nfs/dbraw/zinc/52/39/39/538523939.db2.gz NJAZKODBXCPFTE-ZDUSSCGKSA-N 1 0 219.284 3.097 10 0 BGAERO COc1ccc2oc([C@H]([NH3+])C(C)C)cc2c1 ZINC000083821227 538524365 /nfs/dbraw/zinc/52/43/65/538524365.db2.gz NJAZKODBXCPFTE-CYBMUJFWSA-N 1 0 219.284 3.097 10 0 BGAERO CCC[C@H]([NH3+])c1cc2cc(OC)ccc2o1 ZINC000083821232 538524258 /nfs/dbraw/zinc/52/42/58/538524258.db2.gz XBZSQBLLMQODTE-NSHDSACASA-N 1 0 219.284 3.241 10 0 BGAERO CCC[C@@H]([NH3+])c1cc2cc(OC)ccc2o1 ZINC000083821233 566300107 /nfs/dbraw/zinc/30/01/07/566300107.db2.gz XBZSQBLLMQODTE-LLVKDONJSA-N 1 0 219.284 3.241 10 0 BGAERO CC(C)[C@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000083821265 538524672 /nfs/dbraw/zinc/52/46/72/538524672.db2.gz GGLHORIYXSKKJU-LBPRGKRZSA-N 1 0 207.248 3.228 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000083821267 538524164 /nfs/dbraw/zinc/52/41/64/538524164.db2.gz GGLHORIYXSKKJU-GFCCVEGCSA-N 1 0 207.248 3.228 10 0 BGAERO CCC[C@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000083821277 538524019 /nfs/dbraw/zinc/52/40/19/538524019.db2.gz AFHYLNONRNYOIO-JTQLQIEISA-N 1 0 207.248 3.372 10 0 BGAERO CCC[C@@H]([NH3+])c1cc2cc(F)ccc2o1 ZINC000083821279 538524407 /nfs/dbraw/zinc/52/44/07/538524407.db2.gz AFHYLNONRNYOIO-SNVBAGLBSA-N 1 0 207.248 3.372 10 0 BGAERO CC(C)[C@H]([NH3+])c1cc2cc(F)cc(F)c2o1 ZINC000083821347 538523997 /nfs/dbraw/zinc/52/39/97/538523997.db2.gz GUOGCSYVBXCSQG-NSHDSACASA-N 1 0 225.238 3.367 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cc2cc(F)cc(F)c2o1 ZINC000083821349 538524375 /nfs/dbraw/zinc/52/43/75/538524375.db2.gz GUOGCSYVBXCSQG-LLVKDONJSA-N 1 0 225.238 3.367 10 0 BGAERO CC(C)[C@H]([NH3+])c1cc2ccc(F)c(F)c2o1 ZINC000083821661 538524505 /nfs/dbraw/zinc/52/45/05/538524505.db2.gz UTUZEGIMPROQNC-NSHDSACASA-N 1 0 225.238 3.367 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cc2ccc(F)c(F)c2o1 ZINC000083821663 538524126 /nfs/dbraw/zinc/52/41/26/538524126.db2.gz UTUZEGIMPROQNC-LLVKDONJSA-N 1 0 225.238 3.367 10 0 BGAERO CCCCc1nc(Cl)c(C[NH2+]C2CCC2)[nH]1 ZINC000083878476 169026238 /nfs/dbraw/zinc/02/62/38/169026238.db2.gz MSGHEGJGIHBLQU-UHFFFAOYSA-N 1 0 241.766 3.048 10 0 BGAERO COCC[C@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000083941515 388650347 /nfs/dbraw/zinc/65/03/47/388650347.db2.gz GTSZYCPPUWGVOY-XJKSGUPXSA-N 1 0 247.382 3.469 10 0 BGAERO COCC[C@@H](C)[NH2+][C@@H]1CCCCc2ccccc21 ZINC000083941518 388650811 /nfs/dbraw/zinc/65/08/11/388650811.db2.gz GTSZYCPPUWGVOY-CZUORRHYSA-N 1 0 247.382 3.469 10 0 BGAERO COCC[C@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000083941523 325577929 /nfs/dbraw/zinc/57/79/29/325577929.db2.gz GTSZYCPPUWGVOY-BBRMVZONSA-N 1 0 247.382 3.469 10 0 BGAERO COCC[C@@H](C)[NH2+][C@H]1CCCCc2ccccc21 ZINC000083941525 325577851 /nfs/dbraw/zinc/57/78/51/325577851.db2.gz GTSZYCPPUWGVOY-CJNGLKHVSA-N 1 0 247.382 3.469 10 0 BGAERO [NH3+][C@H]1C[C@@H](c2ccccc2)c2ccccc21 ZINC000083987481 355213916 /nfs/dbraw/zinc/21/39/16/355213916.db2.gz SPHAWXCQQFPLSS-GJZGRUSLSA-N 1 0 209.292 3.222 10 0 BGAERO [NH3+][C@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000083987482 368846693 /nfs/dbraw/zinc/84/66/93/368846693.db2.gz SPHAWXCQQFPLSS-CABCVRRESA-N 1 0 209.292 3.222 10 0 BGAERO [NH3+][C@@H]1C[C@@H](c2ccccc2)c2ccccc21 ZINC000083987485 368846706 /nfs/dbraw/zinc/84/67/06/368846706.db2.gz SPHAWXCQQFPLSS-LSDHHAIUSA-N 1 0 209.292 3.222 10 0 BGAERO [NH3+][C@@H]1C[C@H](c2ccccc2)c2ccccc21 ZINC000083987486 368846524 /nfs/dbraw/zinc/84/65/24/368846524.db2.gz SPHAWXCQQFPLSS-HUUCEWRRSA-N 1 0 209.292 3.222 10 0 BGAERO CC[C@H]([NH2+]Cc1ccncc1Cl)C(C)C ZINC000084084884 541358073 /nfs/dbraw/zinc/35/80/73/541358073.db2.gz NVLWHPUQUYRASX-LBPRGKRZSA-N 1 0 226.751 3.259 10 0 BGAERO CC[C@@H]([NH2+]Cc1ccncc1Cl)C(C)C ZINC000084084888 541358753 /nfs/dbraw/zinc/35/87/53/541358753.db2.gz NVLWHPUQUYRASX-GFCCVEGCSA-N 1 0 226.751 3.259 10 0 BGAERO Cc1ncsc1C[NH2+]CC1CCC(C)CC1 ZINC000084149413 135188127 /nfs/dbraw/zinc/18/81/27/135188127.db2.gz FZFKTUYGXLHGKM-UHFFFAOYSA-N 1 0 238.400 3.367 10 0 BGAERO CCC[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000084191646 386719103 /nfs/dbraw/zinc/71/91/03/386719103.db2.gz KUMNULKDYGOLHW-JTQLQIEISA-N 1 0 246.123 3.388 10 0 BGAERO CCC[C@H]([NH3+])c1cccc2ncccc21 ZINC000084191898 490303623 /nfs/dbraw/zinc/30/36/23/490303623.db2.gz WFEQQIHJUQCTQY-LBPRGKRZSA-N 1 0 200.285 3.035 10 0 BGAERO CCC[C@@H]([NH3+])c1cccc2ncccc21 ZINC000084191899 490303509 /nfs/dbraw/zinc/30/35/09/490303509.db2.gz WFEQQIHJUQCTQY-GFCCVEGCSA-N 1 0 200.285 3.035 10 0 BGAERO CC(C)(C)C1CCC2(CC1)[NH2+]CCS2 ZINC000084193429 538528804 /nfs/dbraw/zinc/52/88/04/538528804.db2.gz FLBWNYFCJXHPBD-UHFFFAOYSA-N 1 0 213.390 3.255 10 0 BGAERO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCC[C@@H]1O ZINC000084224972 631437864 /nfs/dbraw/zinc/43/78/64/631437864.db2.gz GSSVSHIXRVTXRK-IHRRRGAJSA-N 1 0 227.392 3.096 10 0 BGAERO COc1ccc([C@H](C)C[NH2+]CC(C)C)cc1 ZINC000084327705 256565539 /nfs/dbraw/zinc/56/55/39/256565539.db2.gz OORWXMRBNVQLMX-GFCCVEGCSA-N 1 0 221.344 3.044 10 0 BGAERO COc1ccc([C@@H](C)C[NH2+]CC(C)C)cc1 ZINC000084327707 384859964 /nfs/dbraw/zinc/85/99/64/384859964.db2.gz OORWXMRBNVQLMX-LBPRGKRZSA-N 1 0 221.344 3.044 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+]CC1CCCCCC1 ZINC000084329156 541360427 /nfs/dbraw/zinc/36/04/27/541360427.db2.gz SFNIDBBCDSDSPF-AWEZNQCLSA-N 1 0 225.376 3.116 10 0 BGAERO C(C[C@H]1CCCO1)[NH2+]CC1CCCCCC1 ZINC000084329159 541360414 /nfs/dbraw/zinc/36/04/14/541360414.db2.gz SFNIDBBCDSDSPF-CQSZACIVSA-N 1 0 225.376 3.116 10 0 BGAERO CC(C)OCCC[NH2+]CC1CCC(C)CC1 ZINC000084330868 135211520 /nfs/dbraw/zinc/21/15/20/135211520.db2.gz DSIURIMWYPVRMH-UHFFFAOYSA-N 1 0 227.392 3.217 10 0 BGAERO CC1CCC(C[NH2+]CCc2ccco2)CC1 ZINC000084330977 135211200 /nfs/dbraw/zinc/21/12/00/135211200.db2.gz NVNCFOGKVKUJSI-UHFFFAOYSA-N 1 0 221.344 3.238 10 0 BGAERO CC1CCC(C[NH2+]CCc2nccs2)CC1 ZINC000084339433 135210416 /nfs/dbraw/zinc/21/04/16/135210416.db2.gz FNDONCSSCOCFJA-UHFFFAOYSA-N 1 0 238.400 3.102 10 0 BGAERO CC1CCC(C[NH2+]CCc2cscn2)CC1 ZINC000084339443 135210684 /nfs/dbraw/zinc/21/06/84/135210684.db2.gz QQGWUARQDADRCG-UHFFFAOYSA-N 1 0 238.400 3.102 10 0 BGAERO C[C@@H]1C[C@]1([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000084367253 518180844 /nfs/dbraw/zinc/18/08/44/518180844.db2.gz JPBYZNBGFHFPMT-QMTHXVAHSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@H]1C[C@]1([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000084367259 177387010 /nfs/dbraw/zinc/38/70/10/177387010.db2.gz JPBYZNBGFHFPMT-IINYFYTJSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@@H]1C[C@@]1([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000084367262 384861429 /nfs/dbraw/zinc/86/14/29/384861429.db2.gz JPBYZNBGFHFPMT-YGRLFVJLSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@H]1C[C@@]1([NH3+])c1ccc(C(C)(C)C)cc1 ZINC000084367265 177352323 /nfs/dbraw/zinc/35/23/23/177352323.db2.gz JPBYZNBGFHFPMT-HZMBPMFUSA-N 1 0 203.329 3.178 10 0 BGAERO Cc1cc(Cl)ccc1C1=CC[NH2+]CC1 ZINC000084386667 323941417 /nfs/dbraw/zinc/94/14/17/323941417.db2.gz XGLSRMJNPQPWCV-UHFFFAOYSA-N 1 0 207.704 3.025 10 0 BGAERO Cc1ccc(O)c(C[NH2+]C2C[C@@H](C)C[C@H](C)C2)n1 ZINC000084461505 388077769 /nfs/dbraw/zinc/07/77/69/388077769.db2.gz RPMCEGSCLXZMBP-QWRGUYRKSA-N 1 0 248.370 3.010 10 0 BGAERO Cc1ccc(O)c(C[NH2+]C2C[C@H](C)C[C@@H](C)C2)n1 ZINC000084461506 135471703 /nfs/dbraw/zinc/47/17/03/135471703.db2.gz RPMCEGSCLXZMBP-GHMZBOCLSA-N 1 0 248.370 3.010 10 0 BGAERO Cc1ccc(-c2cc(C)[nH+]c(N)c2)c(C)c1 ZINC000084477977 538533138 /nfs/dbraw/zinc/53/31/38/538533138.db2.gz FOXVYGGVCDLLQS-UHFFFAOYSA-N 1 0 212.296 3.256 10 0 BGAERO c1csc([C@H]2[NH2+]CCc3ccsc32)c1 ZINC000084495567 641359558 /nfs/dbraw/zinc/35/95/58/641359558.db2.gz SVHMIIUWOMIACQ-SNVBAGLBSA-N 1 0 221.350 3.045 10 0 BGAERO c1csc([C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000084495569 641358943 /nfs/dbraw/zinc/35/89/43/641358943.db2.gz SVHMIIUWOMIACQ-JTQLQIEISA-N 1 0 221.350 3.045 10 0 BGAERO Cc1ccccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000084508815 538534494 /nfs/dbraw/zinc/53/44/94/538534494.db2.gz BKXAASLWPMBXQL-CYBMUJFWSA-N 1 0 229.348 3.292 10 0 BGAERO Cc1ccccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000084508816 538534684 /nfs/dbraw/zinc/53/46/84/538534684.db2.gz BKXAASLWPMBXQL-ZDUSSCGKSA-N 1 0 229.348 3.292 10 0 BGAERO Cc1cccc([C@H]2[NH2+]CCc3ccsc32)c1 ZINC000084508819 538534787 /nfs/dbraw/zinc/53/47/87/538534787.db2.gz DJXPRNPYLAQGIB-CYBMUJFWSA-N 1 0 229.348 3.292 10 0 BGAERO Cc1cccc([C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000084508822 538534385 /nfs/dbraw/zinc/53/43/85/538534385.db2.gz DJXPRNPYLAQGIB-ZDUSSCGKSA-N 1 0 229.348 3.292 10 0 BGAERO Cc1ccc([C@H]2[NH2+]CCc3ccsc32)cc1 ZINC000084508824 538534880 /nfs/dbraw/zinc/53/48/80/538534880.db2.gz LFPRBNDZNGEGCY-CYBMUJFWSA-N 1 0 229.348 3.292 10 0 BGAERO Cc1ccc([C@@H]2[NH2+]CCc3ccsc32)cc1 ZINC000084508826 538534550 /nfs/dbraw/zinc/53/45/50/538534550.db2.gz LFPRBNDZNGEGCY-ZDUSSCGKSA-N 1 0 229.348 3.292 10 0 BGAERO c1sc2ccccc2c1NC1CC[NH2+]CC1 ZINC000084516984 135472098 /nfs/dbraw/zinc/47/20/98/135472098.db2.gz HLDYZXQJJXCKFW-UHFFFAOYSA-N 1 0 232.352 3.065 10 0 BGAERO CC(C)([NH3+])CNc1ccc(Cl)c(Cl)c1 ZINC000084517365 187624762 /nfs/dbraw/zinc/62/47/62/187624762.db2.gz OJBQYQFASIQYLS-UHFFFAOYSA-N 1 0 233.142 3.143 10 0 BGAERO Fc1ccccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000084517923 538534255 /nfs/dbraw/zinc/53/42/55/538534255.db2.gz LBYSYZXOAVGDKB-GFCCVEGCSA-N 1 0 233.311 3.122 10 0 BGAERO Fc1ccccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000084517924 538534518 /nfs/dbraw/zinc/53/45/18/538534518.db2.gz LBYSYZXOAVGDKB-LBPRGKRZSA-N 1 0 233.311 3.122 10 0 BGAERO Fc1ccc([C@H]2[NH2+]CCc3ccsc32)cc1 ZINC000084517925 538534457 /nfs/dbraw/zinc/53/44/57/538534457.db2.gz HKBBSYRSRGVRAL-GFCCVEGCSA-N 1 0 233.311 3.122 10 0 BGAERO Fc1ccc([C@@H]2[NH2+]CCc3ccsc32)cc1 ZINC000084517926 538533525 /nfs/dbraw/zinc/53/35/25/538533525.db2.gz HKBBSYRSRGVRAL-LBPRGKRZSA-N 1 0 233.311 3.122 10 0 BGAERO Fc1cccc([C@H]2[NH2+]CCc3ccsc32)c1 ZINC000084517927 538534864 /nfs/dbraw/zinc/53/48/64/538534864.db2.gz KSRHSNVZEFADJA-GFCCVEGCSA-N 1 0 233.311 3.122 10 0 BGAERO Fc1cccc([C@@H]2[NH2+]CCc3ccsc32)c1 ZINC000084517928 538534032 /nfs/dbraw/zinc/53/40/32/538534032.db2.gz KSRHSNVZEFADJA-LBPRGKRZSA-N 1 0 233.311 3.122 10 0 BGAERO FC(F)(F)c1cccc(C=C2CC[NH2+]CC2)c1 ZINC000084546768 180894513 /nfs/dbraw/zinc/89/45/13/180894513.db2.gz MCCCPVDZNJNACZ-UHFFFAOYSA-N 1 0 241.256 3.472 10 0 BGAERO COc1cc(C)c(-c2ccc(C[NH3+])cc2)cc1C ZINC000084548004 488063096 /nfs/dbraw/zinc/06/30/96/488063096.db2.gz UKXIKWYQLYHDFY-UHFFFAOYSA-N 1 0 241.334 3.438 10 0 BGAERO COc1cc(C)c(-c2cccc(C[NH3+])c2)cc1C ZINC000084548035 487592160 /nfs/dbraw/zinc/59/21/60/487592160.db2.gz NODZQKDJSLTUFP-UHFFFAOYSA-N 1 0 241.334 3.438 10 0 BGAERO CC(C)([NH3+])c1ccc(Cl)cc1Br ZINC000084574913 368856680 /nfs/dbraw/zinc/85/66/80/368856680.db2.gz GNZXCHCWRGLERS-UHFFFAOYSA-N 1 0 248.551 3.296 10 0 BGAERO CC(C)([NH3+])c1cc(Cl)ccc1Br ZINC000084574923 368856927 /nfs/dbraw/zinc/85/69/27/368856927.db2.gz YMMPZZARIQCFSW-UHFFFAOYSA-N 1 0 248.551 3.296 10 0 BGAERO c1cc2c(c(C3CC[NH2+]CC3)c1)CCCC2 ZINC000084596336 183364784 /nfs/dbraw/zinc/36/47/84/183364784.db2.gz YIAHOQWWWGUKRG-UHFFFAOYSA-N 1 0 215.340 3.032 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000084837230 383833678 /nfs/dbraw/zinc/83/36/78/383833678.db2.gz UJXPGWWWMGVGAE-WOOKNIGNSA-N 1 0 221.266 3.106 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000084837231 135475201 /nfs/dbraw/zinc/47/52/01/135475201.db2.gz UJXPGWWWMGVGAE-NFTFJBJSSA-N 1 0 221.266 3.106 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]C1CCC(C(F)(F)F)CC1 ZINC000084837232 135475236 /nfs/dbraw/zinc/47/52/36/135475236.db2.gz UJXPGWWWMGVGAE-SEZDTBSWSA-N 1 0 221.266 3.106 10 0 BGAERO C[C@@H]1CC([NH2+]Cc2ccc(O)cc2)C[C@@H](C)C1 ZINC000084972554 388082067 /nfs/dbraw/zinc/08/20/67/388082067.db2.gz GCSVBSZENDMYNH-RYUDHWBXSA-N 1 0 233.355 3.307 10 0 BGAERO C[C@H]1CC([NH2+]Cc2ccc(O)cc2)C[C@H](C)C1 ZINC000084972556 388082293 /nfs/dbraw/zinc/08/22/93/388082293.db2.gz GCSVBSZENDMYNH-VXGBXAGGSA-N 1 0 233.355 3.307 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C[C@@H]1C ZINC000084988553 388082172 /nfs/dbraw/zinc/08/21/72/388082172.db2.gz GUTNGCHELAXQSG-VRKREXBASA-N 1 0 247.382 3.134 10 0 BGAERO CCOC1(C[NH3+])CCC(C(C)(C)CC)CC1 ZINC000085091202 643682604 /nfs/dbraw/zinc/68/26/04/643682604.db2.gz ZJDGIQOGRQKIHK-UHFFFAOYSA-N 1 0 227.392 3.347 10 0 BGAERO CC(C)n1ccc(C[NH2+]CC2CCC(C)CC2)n1 ZINC000085161549 538115860 /nfs/dbraw/zinc/11/58/60/538115860.db2.gz KTIWDBSLFWAGGW-UHFFFAOYSA-N 1 0 249.402 3.380 10 0 BGAERO CC(C)CC[NH2+]Cc1ccn(C2CCCC2)n1 ZINC000085172517 135480319 /nfs/dbraw/zinc/48/03/19/135480319.db2.gz SHWJYFTYGVOGIB-UHFFFAOYSA-N 1 0 235.375 3.134 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2ccc(Cl)cc2)S1 ZINC000085301190 187243722 /nfs/dbraw/zinc/24/37/22/187243722.db2.gz NHCGATXWTDDHSO-XCBNKYQSSA-N 1 0 213.733 3.064 10 0 BGAERO C[C@H]1C[NH2+][C@H](c2ccc(Cl)cc2)S1 ZINC000085301193 188270655 /nfs/dbraw/zinc/27/06/55/188270655.db2.gz NHCGATXWTDDHSO-XVKPBYJWSA-N 1 0 213.733 3.064 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2ccc(Cl)cc2)S1 ZINC000085301195 176330915 /nfs/dbraw/zinc/33/09/15/176330915.db2.gz NHCGATXWTDDHSO-GMSGAONNSA-N 1 0 213.733 3.064 10 0 BGAERO C[C@H]1C[NH2+][C@@H](c2ccc(Cl)cc2)S1 ZINC000085301199 188097989 /nfs/dbraw/zinc/09/79/89/188097989.db2.gz NHCGATXWTDDHSO-OIBJUYFYSA-N 1 0 213.733 3.064 10 0 BGAERO C[C@@H](c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000085346281 176017353 /nfs/dbraw/zinc/01/73/53/176017353.db2.gz BBMPCXVZCFFTJM-SNVBAGLBSA-N 1 0 223.747 3.443 10 0 BGAERO C[C@H](c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000085346283 177035443 /nfs/dbraw/zinc/03/54/43/177035443.db2.gz BBMPCXVZCFFTJM-JTQLQIEISA-N 1 0 223.747 3.443 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cc[nH]c1 ZINC000085578840 179339450 /nfs/dbraw/zinc/33/94/50/179339450.db2.gz HQKXALYKFNVTNB-LBPRGKRZSA-N 1 0 214.312 3.174 10 0 BGAERO CCCn1ccc(C[NH2+][C@H](C)C(C)C)c1 ZINC000085605241 134441387 /nfs/dbraw/zinc/44/13/87/134441387.db2.gz FGWSBHGFYRHISM-GFCCVEGCSA-N 1 0 208.349 3.032 10 0 BGAERO CCCn1ccc(C[NH2+][C@H](C)CC(C)C)c1 ZINC000085605360 134441122 /nfs/dbraw/zinc/44/11/22/134441122.db2.gz IGHXYEXXKAFBHN-CYBMUJFWSA-N 1 0 222.376 3.422 10 0 BGAERO CCCn1ccc(C[NH2+][C@@H](C)[C@@H](C)CC)c1 ZINC000085605937 135486848 /nfs/dbraw/zinc/48/68/48/135486848.db2.gz CVVDZFONVYAEGF-STQMWFEESA-N 1 0 222.376 3.422 10 0 BGAERO CCCn1ccc(C[NH2+][C@H](C)[C@H](C)CC)c1 ZINC000085605953 135487012 /nfs/dbraw/zinc/48/70/12/135487012.db2.gz CVVDZFONVYAEGF-CHWSQXEVSA-N 1 0 222.376 3.422 10 0 BGAERO CCCn1ccc(C[NH2+][C@@H](CC)C(C)C)c1 ZINC000085605980 134441211 /nfs/dbraw/zinc/44/12/11/134441211.db2.gz QWSXUHXYTFRZGP-AWEZNQCLSA-N 1 0 222.376 3.422 10 0 BGAERO CCCn1ccc(C[NH2+]C[C@@H](C)CC)c1 ZINC000085606380 134442953 /nfs/dbraw/zinc/44/29/53/134442953.db2.gz NVKSDSVFNKMBKN-LBPRGKRZSA-N 1 0 208.349 3.034 10 0 BGAERO CCCn1ccc(C[NH2+]C[C@H](C)CC)c1 ZINC000085606384 134442545 /nfs/dbraw/zinc/44/25/45/134442545.db2.gz NVKSDSVFNKMBKN-GFCCVEGCSA-N 1 0 208.349 3.034 10 0 BGAERO CCCn1ccc(C[NH2+][C@@H]2CCC[C@H]2C)c1 ZINC000085606467 134442604 /nfs/dbraw/zinc/44/26/04/134442604.db2.gz CMOYQAHHNBQOCB-TZMCWYRMSA-N 1 0 220.360 3.176 10 0 BGAERO CCCn1ccc(C[NH2+][C@H]2CCC[C@H]2C)c1 ZINC000085606469 134442680 /nfs/dbraw/zinc/44/26/80/134442680.db2.gz CMOYQAHHNBQOCB-OCCSQVGLSA-N 1 0 220.360 3.176 10 0 BGAERO CCCn1ccc(C[NH2+][C@@H](C)CC2CC2)c1 ZINC000085606595 135487125 /nfs/dbraw/zinc/48/71/25/135487125.db2.gz BQJONIOFOQNAOZ-LBPRGKRZSA-N 1 0 220.360 3.176 10 0 BGAERO CCCn1ccc(C[NH2+]C[C@@H](C)C(C)C)c1 ZINC000085606751 256774605 /nfs/dbraw/zinc/77/46/05/256774605.db2.gz UQVFNKDMUWXOAK-CYBMUJFWSA-N 1 0 222.376 3.280 10 0 BGAERO CCCn1ccc(C[NH2+][C@H]2CC=CCC2)c1 ZINC000085606917 135486709 /nfs/dbraw/zinc/48/67/09/135486709.db2.gz PDBCRPFSSFYKKU-AWEZNQCLSA-N 1 0 218.344 3.096 10 0 BGAERO CCCn1ccc(C[NH2+][C@@H]2CC=CCC2)c1 ZINC000085606921 135486896 /nfs/dbraw/zinc/48/68/96/135486896.db2.gz PDBCRPFSSFYKKU-CQSZACIVSA-N 1 0 218.344 3.096 10 0 BGAERO CCn1cccc1C[NH2+][C@H](C)CCC(C)C ZINC000085608454 536102353 /nfs/dbraw/zinc/10/23/53/536102353.db2.gz SITSEGIACMOCLP-CYBMUJFWSA-N 1 0 222.376 3.422 10 0 BGAERO CCn1cccc1C[NH2+][C@@H](C)c1cccs1 ZINC000085608502 172209661 /nfs/dbraw/zinc/20/96/61/172209661.db2.gz SBPUOBQPPDOUDL-NSHDSACASA-N 1 0 234.368 3.420 10 0 BGAERO CCn1cccc1C[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000085608694 536101772 /nfs/dbraw/zinc/10/17/72/536101772.db2.gz SUVBWKCHZSGWFD-OLZOCXBDSA-N 1 0 220.360 3.176 10 0 BGAERO CCn1cccc1C[NH2+][C@@H](C)CC(C)C ZINC000085608714 172209209 /nfs/dbraw/zinc/20/92/09/172209209.db2.gz XXVLBDWAVGFRFE-LBPRGKRZSA-N 1 0 208.349 3.032 10 0 BGAERO CCn1cccc1C[NH2+][C@H](C)CC(C)C ZINC000085608716 172209520 /nfs/dbraw/zinc/20/95/20/172209520.db2.gz XXVLBDWAVGFRFE-GFCCVEGCSA-N 1 0 208.349 3.032 10 0 BGAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1cccn1CC ZINC000085609175 170773786 /nfs/dbraw/zinc/77/37/86/170773786.db2.gz LKULKXKGVARFDJ-VXGBXAGGSA-N 1 0 208.349 3.032 10 0 BGAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1cccn1CC ZINC000085609179 171365946 /nfs/dbraw/zinc/36/59/46/171365946.db2.gz LKULKXKGVARFDJ-NWDGAFQWSA-N 1 0 208.349 3.032 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]Cc1cccn1CC ZINC000085609187 171389422 /nfs/dbraw/zinc/38/94/22/171389422.db2.gz LKULKXKGVARFDJ-RYUDHWBXSA-N 1 0 208.349 3.032 10 0 BGAERO CCn1cccc1C[NH2+]Cc1ccc(C)s1 ZINC000085609388 172208267 /nfs/dbraw/zinc/20/82/67/172208267.db2.gz QBPYUKATHASEQK-UHFFFAOYSA-N 1 0 234.368 3.168 10 0 BGAERO CCC[C@@H](CC)[NH2+]Cc1cccn1CC ZINC000085609427 169379665 /nfs/dbraw/zinc/37/96/65/169379665.db2.gz FBYSGYMVXQZYGX-GFCCVEGCSA-N 1 0 208.349 3.176 10 0 BGAERO CC[C@@H](C)C[C@H](C)[NH2+]Cc1cccn1CC ZINC000085610004 135486684 /nfs/dbraw/zinc/48/66/84/135486684.db2.gz RPSNZXHPFQHXPL-OLZOCXBDSA-N 1 0 222.376 3.422 10 0 BGAERO C[NH2+][C@@H](C)[C@@H]1CCCCc2ccccc21 ZINC000085659782 173416853 /nfs/dbraw/zinc/41/68/53/173416853.db2.gz PAEFXJJTTHIPFX-AAEUAGOBSA-N 1 0 203.329 3.105 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H]1CCCCc2ccccc21 ZINC000085660833 170141174 /nfs/dbraw/zinc/14/11/74/170141174.db2.gz LTYWJUDIEWQHAE-JSGCOSHPSA-N 1 0 217.356 3.495 10 0 BGAERO CC[NH2+][C@H](C)[C@@H]1CCCCc2ccccc21 ZINC000085660837 170158211 /nfs/dbraw/zinc/15/82/11/170158211.db2.gz LTYWJUDIEWQHAE-OCCSQVGLSA-N 1 0 217.356 3.495 10 0 BGAERO CC[NH2+][C@@H](C)[C@H]1CCCCc2ccccc21 ZINC000085660839 170141355 /nfs/dbraw/zinc/14/13/55/170141355.db2.gz LTYWJUDIEWQHAE-GXTWGEPZSA-N 1 0 217.356 3.495 10 0 BGAERO CC[NH2+][C@H](C)[C@H]1CCCCc2ccccc21 ZINC000085660841 170158813 /nfs/dbraw/zinc/15/88/13/170158813.db2.gz LTYWJUDIEWQHAE-TZMCWYRMSA-N 1 0 217.356 3.495 10 0 BGAERO C[C@]1(Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000085697915 357554142 /nfs/dbraw/zinc/55/41/42/357554142.db2.gz UONVJBMSTXQKOQ-GFCCVEGCSA-N 1 0 209.720 3.025 10 0 BGAERO C[C@@]1(Cc2ccc(Cl)cc2)CCC[NH2+]1 ZINC000085697917 357554719 /nfs/dbraw/zinc/55/47/19/357554719.db2.gz UONVJBMSTXQKOQ-LBPRGKRZSA-N 1 0 209.720 3.025 10 0 BGAERO C[C@]1(CCCc2ccccc2)CCC[NH2+]1 ZINC000085698260 386963232 /nfs/dbraw/zinc/96/32/32/386963232.db2.gz QNWOJYMOHUQYSZ-AWEZNQCLSA-N 1 0 203.329 3.151 10 0 BGAERO C[C@@]1(CCCc2ccccc2)CCC[NH2+]1 ZINC000085698263 386963340 /nfs/dbraw/zinc/96/33/40/386963340.db2.gz QNWOJYMOHUQYSZ-CQSZACIVSA-N 1 0 203.329 3.151 10 0 BGAERO C[C@]1(Cc2ccccc2Cl)CCC[NH2+]1 ZINC000085698334 357554255 /nfs/dbraw/zinc/55/42/55/357554255.db2.gz OYGVNYLYBTYCQK-GFCCVEGCSA-N 1 0 209.720 3.025 10 0 BGAERO C[C@@]1(Cc2ccccc2Cl)CCC[NH2+]1 ZINC000085698336 134525381 /nfs/dbraw/zinc/52/53/81/134525381.db2.gz OYGVNYLYBTYCQK-LBPRGKRZSA-N 1 0 209.720 3.025 10 0 BGAERO CC[C@]1(CCc2ccccc2)CCC[NH2+]1 ZINC000085699112 347086188 /nfs/dbraw/zinc/08/61/88/347086188.db2.gz GIXFQXXBIUWPQX-CQSZACIVSA-N 1 0 203.329 3.151 10 0 BGAERO CC[C@@]1(CCc2ccccc2)CCC[NH2+]1 ZINC000085699115 347085871 /nfs/dbraw/zinc/08/58/71/347085871.db2.gz GIXFQXXBIUWPQX-AWEZNQCLSA-N 1 0 203.329 3.151 10 0 BGAERO CCC[C@]1(Cc2ccccc2)CCC[NH2+]1 ZINC000085700357 387155272 /nfs/dbraw/zinc/15/52/72/387155272.db2.gz IVRMOLGMGWPWLC-CQSZACIVSA-N 1 0 203.329 3.151 10 0 BGAERO CCC[C@@]1(Cc2ccccc2)CCC[NH2+]1 ZINC000085700362 323941166 /nfs/dbraw/zinc/94/11/66/323941166.db2.gz IVRMOLGMGWPWLC-AWEZNQCLSA-N 1 0 203.329 3.151 10 0 BGAERO CC(C)[C@]1(Cc2ccccc2)CCC[NH2+]1 ZINC000085702036 535311326 /nfs/dbraw/zinc/31/13/26/535311326.db2.gz ZLAYJTUYJQNGBZ-CQSZACIVSA-N 1 0 203.329 3.007 10 0 BGAERO CC(C)[C@@]1(Cc2ccccc2)CCC[NH2+]1 ZINC000085702039 357554124 /nfs/dbraw/zinc/55/41/24/357554124.db2.gz ZLAYJTUYJQNGBZ-AWEZNQCLSA-N 1 0 203.329 3.007 10 0 BGAERO CC(C)(C)[C@]1(Cc2ccccc2)CCC[NH2+]1 ZINC000085702548 388683893 /nfs/dbraw/zinc/68/38/93/388683893.db2.gz PPILGWOYLSTBOK-OAHLLOKOSA-N 1 0 217.356 3.397 10 0 BGAERO CC(C)(C)[C@@]1(Cc2ccccc2)CCC[NH2+]1 ZINC000085702550 388683961 /nfs/dbraw/zinc/68/39/61/388683961.db2.gz PPILGWOYLSTBOK-HNNXBMFYSA-N 1 0 217.356 3.397 10 0 BGAERO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085970477 644454647 /nfs/dbraw/zinc/45/46/47/644454647.db2.gz VZIRDDAMHNVDHQ-KKUMJFAQSA-N 1 0 241.419 3.486 10 0 BGAERO CCCCCC[C@H](C)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000085970488 644453870 /nfs/dbraw/zinc/45/38/70/644453870.db2.gz VZIRDDAMHNVDHQ-ZNMIVQPWSA-N 1 0 241.419 3.486 10 0 BGAERO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2O)C1 ZINC000085972505 344210465 /nfs/dbraw/zinc/21/04/65/344210465.db2.gz PULQSXBOQNDURV-IHRRRGAJSA-N 1 0 239.403 3.096 10 0 BGAERO O[C@H]1CCCC[C@H]1C[NH2+]C1CCCCCCC1 ZINC000085974263 643870749 /nfs/dbraw/zinc/87/07/49/643870749.db2.gz PAEMVISWUNPTJL-ZFWWWQNUSA-N 1 0 239.403 3.240 10 0 BGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]C1CCCCCCC1 ZINC000085974273 643870522 /nfs/dbraw/zinc/87/05/22/643870522.db2.gz PAEMVISWUNPTJL-UKRRQHHQSA-N 1 0 239.403 3.240 10 0 BGAERO Cc1ccc2oc([C@H]([NH3+])C(C)(C)C)cc2n1 ZINC000085975072 538549405 /nfs/dbraw/zinc/54/94/05/538549405.db2.gz SXMPNLORYGLZCX-LBPRGKRZSA-N 1 0 218.300 3.182 10 0 BGAERO Cc1ccc2oc([C@@H]([NH3+])C(C)(C)C)cc2n1 ZINC000085975075 538549673 /nfs/dbraw/zinc/54/96/73/538549673.db2.gz SXMPNLORYGLZCX-GFCCVEGCSA-N 1 0 218.300 3.182 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000085976613 344210391 /nfs/dbraw/zinc/21/03/91/344210391.db2.gz GTXKHELPWCYRMT-AJNGGQMLSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000086116008 357853505 /nfs/dbraw/zinc/85/35/05/357853505.db2.gz ANERTFKUDKAKEA-HOTGVXAUSA-N 1 0 246.398 3.068 10 0 BGAERO CC[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CC1 ZINC000086116010 357854166 /nfs/dbraw/zinc/85/41/66/357854166.db2.gz ANERTFKUDKAKEA-CVEARBPZSA-N 1 0 246.398 3.068 10 0 BGAERO CC[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000086116012 357854380 /nfs/dbraw/zinc/85/43/80/357854380.db2.gz ANERTFKUDKAKEA-JKSUJKDBSA-N 1 0 246.398 3.068 10 0 BGAERO CC[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CC1 ZINC000086116013 357854399 /nfs/dbraw/zinc/85/43/99/357854399.db2.gz ANERTFKUDKAKEA-HZPDHXFCSA-N 1 0 246.398 3.068 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCOc2ccccc21)C1CC1 ZINC000086118026 384987757 /nfs/dbraw/zinc/98/77/57/384987757.db2.gz QXAKLFZAUBWTJY-UONOGXRCSA-N 1 0 231.339 3.288 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCOc2ccccc21)C1CC1 ZINC000086118030 344211735 /nfs/dbraw/zinc/21/17/35/344211735.db2.gz QXAKLFZAUBWTJY-ZIAGYGMSSA-N 1 0 231.339 3.288 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCOc2ccccc21)C1CC1 ZINC000086118035 384988716 /nfs/dbraw/zinc/98/87/16/384988716.db2.gz QXAKLFZAUBWTJY-KBPBESRZSA-N 1 0 231.339 3.288 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCOc2ccccc21)C1CC1 ZINC000086118037 344212066 /nfs/dbraw/zinc/21/20/66/344212066.db2.gz QXAKLFZAUBWTJY-KGLIPLIRSA-N 1 0 231.339 3.288 10 0 BGAERO CCC[C@@H]1C[C@]1([NH3+])c1ccc(Cl)cc1 ZINC000086204939 384998980 /nfs/dbraw/zinc/99/89/80/384998980.db2.gz KCXKNYHLEXPQGX-PWSUYJOCSA-N 1 0 209.720 3.314 10 0 BGAERO CCC[C@H]1C[C@]1([NH3+])c1ccc(Cl)cc1 ZINC000086204940 384997983 /nfs/dbraw/zinc/99/79/83/384997983.db2.gz KCXKNYHLEXPQGX-JQWIXIFHSA-N 1 0 209.720 3.314 10 0 BGAERO CCC[C@@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1 ZINC000086204942 384998233 /nfs/dbraw/zinc/99/82/33/384998233.db2.gz KCXKNYHLEXPQGX-ZYHUDNBSSA-N 1 0 209.720 3.314 10 0 BGAERO CCC[C@H]1C[C@@]1([NH3+])c1ccc(Cl)cc1 ZINC000086204944 384998997 /nfs/dbraw/zinc/99/89/97/384998997.db2.gz KCXKNYHLEXPQGX-CMPLNLGQSA-N 1 0 209.720 3.314 10 0 BGAERO c1cc(C[NH2+][C@@H]2C[C@@H]2C2CCCCC2)c[nH]1 ZINC000086255128 183354106 /nfs/dbraw/zinc/35/41/06/183354106.db2.gz AZTDMAKGNYUMTM-ZIAGYGMSSA-N 1 0 218.344 3.073 10 0 BGAERO c1cc(C[NH2+][C@H]2C[C@@H]2C2CCCCC2)c[nH]1 ZINC000086255130 183353857 /nfs/dbraw/zinc/35/38/57/183353857.db2.gz AZTDMAKGNYUMTM-KGLIPLIRSA-N 1 0 218.344 3.073 10 0 BGAERO c1cc(C[NH2+][C@@H]2C[C@H]2C2CCCCC2)c[nH]1 ZINC000086255131 183353321 /nfs/dbraw/zinc/35/33/21/183353321.db2.gz AZTDMAKGNYUMTM-UONOGXRCSA-N 1 0 218.344 3.073 10 0 BGAERO c1cc(C[NH2+][C@H]2C[C@H]2C2CCCCC2)c[nH]1 ZINC000086255134 183353162 /nfs/dbraw/zinc/35/31/62/183353162.db2.gz AZTDMAKGNYUMTM-KBPBESRZSA-N 1 0 218.344 3.073 10 0 BGAERO C[C@H]([NH2+]Cc1cc(Cl)cs1)[C@@H]1CCCO1 ZINC000086332260 384638867 /nfs/dbraw/zinc/63/88/67/384638867.db2.gz ANQRVLWYZYKWDM-KWQFWETISA-N 1 0 245.775 3.059 10 0 BGAERO C[C@@H]([NH2+]Cc1cc(Cl)cs1)[C@@H]1CCCO1 ZINC000086332261 384637834 /nfs/dbraw/zinc/63/78/34/384637834.db2.gz ANQRVLWYZYKWDM-KCJUWKMLSA-N 1 0 245.775 3.059 10 0 BGAERO C[C@H]([NH2+]Cc1cc(Cl)cs1)[C@H]1CCCO1 ZINC000086332263 384639426 /nfs/dbraw/zinc/63/94/26/384639426.db2.gz ANQRVLWYZYKWDM-GZMMTYOYSA-N 1 0 245.775 3.059 10 0 BGAERO C[C@@H]([NH2+]Cc1cc(Cl)cs1)[C@H]1CCCO1 ZINC000086332265 384638907 /nfs/dbraw/zinc/63/89/07/384638907.db2.gz ANQRVLWYZYKWDM-LDYMZIIASA-N 1 0 245.775 3.059 10 0 BGAERO Clc1csc(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000086332542 644461630 /nfs/dbraw/zinc/46/16/30/644461630.db2.gz GWOYERPQAAABPZ-JTQLQIEISA-N 1 0 245.775 3.060 10 0 BGAERO CCCCCC1(c2ccccc2)C[NH2+]C1 ZINC000086396227 351062865 /nfs/dbraw/zinc/06/28/65/351062865.db2.gz CMSJVFXGFXVLQO-UHFFFAOYSA-N 1 0 203.329 3.108 10 0 BGAERO [NH3+][C@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000086438676 385016773 /nfs/dbraw/zinc/01/67/73/385016773.db2.gz OKGUVMKYAWJIHF-JTQLQIEISA-N 1 0 248.326 3.285 10 0 BGAERO [NH3+][C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21 ZINC000086438678 385016479 /nfs/dbraw/zinc/01/64/79/385016479.db2.gz OKGUVMKYAWJIHF-SNVBAGLBSA-N 1 0 248.326 3.285 10 0 BGAERO Cc1cccc(C)c1NC1=[NH+]CCCC1 ZINC000086455377 368881453 /nfs/dbraw/zinc/88/14/53/368881453.db2.gz XXMHLWFCKPAWLT-UHFFFAOYSA-N 1 0 202.301 3.298 10 0 BGAERO CCCCCCN1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000086485670 644141286 /nfs/dbraw/zinc/14/12/86/644141286.db2.gz OMEDJHUUPSKVQU-GJZGRUSLSA-N 1 0 238.419 3.125 10 0 BGAERO CCCCCCN1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000086485671 644140651 /nfs/dbraw/zinc/14/06/51/644140651.db2.gz OMEDJHUUPSKVQU-LSDHHAIUSA-N 1 0 238.419 3.125 10 0 BGAERO O=C(C[C@@H]1CCCC[NH2+]1)c1ccc(Cl)s1 ZINC000086499703 538555986 /nfs/dbraw/zinc/55/59/86/538555986.db2.gz KVYYTISWNWORNZ-QMMMGPOBSA-N 1 0 243.759 3.116 10 0 BGAERO O=C(C[C@H]1CCCC[NH2+]1)c1ccc(Cl)s1 ZINC000086499704 538555969 /nfs/dbraw/zinc/55/59/69/538555969.db2.gz KVYYTISWNWORNZ-MRVPVSSYSA-N 1 0 243.759 3.116 10 0 BGAERO C[NH2+]Cc1ccc(Cl)c2ccccc12 ZINC000086558755 187798646 /nfs/dbraw/zinc/79/86/46/187798646.db2.gz GJLMRLREFQGJPV-UHFFFAOYSA-N 1 0 205.688 3.213 10 0 BGAERO C[C@H](CO)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000086623984 385029994 /nfs/dbraw/zinc/02/99/94/385029994.db2.gz KLDSWVSEYCOXRV-STQMWFEESA-N 1 0 249.398 3.263 10 0 BGAERO C[C@@H](CO)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC000086623987 385030951 /nfs/dbraw/zinc/03/09/51/385030951.db2.gz KLDSWVSEYCOXRV-OLZOCXBDSA-N 1 0 249.398 3.263 10 0 BGAERO C[C@@H]([NH2+]C[C@H](C)CO)c1ccc(C(C)(C)C)cc1 ZINC000086623989 256797294 /nfs/dbraw/zinc/79/72/94/256797294.db2.gz KLDSWVSEYCOXRV-QWHCGFSZSA-N 1 0 249.398 3.263 10 0 BGAERO C[C@@H](CO)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC000086623990 256797292 /nfs/dbraw/zinc/79/72/92/256797292.db2.gz KLDSWVSEYCOXRV-CHWSQXEVSA-N 1 0 249.398 3.263 10 0 BGAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)cc1 ZINC000086629232 167612099 /nfs/dbraw/zinc/61/20/99/167612099.db2.gz GTDDMALUUGQAOR-CHWSQXEVSA-N 1 0 235.371 3.089 10 0 BGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CO)cc1 ZINC000086629235 385033709 /nfs/dbraw/zinc/03/37/09/385033709.db2.gz GTDDMALUUGQAOR-OLZOCXBDSA-N 1 0 235.371 3.089 10 0 BGAERO CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)CO)cc1 ZINC000086629237 167613520 /nfs/dbraw/zinc/61/35/20/167613520.db2.gz GTDDMALUUGQAOR-QWHCGFSZSA-N 1 0 235.371 3.089 10 0 BGAERO CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)CO)cc1 ZINC000086629242 167617669 /nfs/dbraw/zinc/61/76/69/167617669.db2.gz GTDDMALUUGQAOR-STQMWFEESA-N 1 0 235.371 3.089 10 0 BGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)cc1 ZINC000086629501 388105212 /nfs/dbraw/zinc/10/52/12/388105212.db2.gz DADCTGBTMOTAKA-ZIAGYGMSSA-N 1 0 249.398 3.164 10 0 BGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CO)cc1 ZINC000086629503 535338251 /nfs/dbraw/zinc/33/82/51/535338251.db2.gz DADCTGBTMOTAKA-KGLIPLIRSA-N 1 0 249.398 3.164 10 0 BGAERO CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CO)cc1 ZINC000086629506 388105415 /nfs/dbraw/zinc/10/54/15/388105415.db2.gz DADCTGBTMOTAKA-UONOGXRCSA-N 1 0 249.398 3.164 10 0 BGAERO CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](C)CO)cc1 ZINC000086629510 388105933 /nfs/dbraw/zinc/10/59/33/388105933.db2.gz DADCTGBTMOTAKA-KBPBESRZSA-N 1 0 249.398 3.164 10 0 BGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000086671327 388105752 /nfs/dbraw/zinc/10/57/52/388105752.db2.gz YUBJCQMQNCDPBO-KBMXLJTQSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000086671330 388105092 /nfs/dbraw/zinc/10/50/92/388105092.db2.gz YUBJCQMQNCDPBO-BMFZPTHFSA-N 1 0 246.398 3.068 10 0 BGAERO Cc1cc(F)cc([C@@H]2CCCCC[NH2+]2)c1 ZINC000086693898 644163284 /nfs/dbraw/zinc/16/32/84/644163284.db2.gz OSYAFDQHMVUYEF-ZDUSSCGKSA-N 1 0 207.292 3.339 10 0 BGAERO Cc1cc(F)cc([C@H]2CCCCC[NH2+]2)c1 ZINC000086693900 644164478 /nfs/dbraw/zinc/16/44/78/644164478.db2.gz OSYAFDQHMVUYEF-CYBMUJFWSA-N 1 0 207.292 3.339 10 0 BGAERO CSc1ccc(NC2CCC([NH3+])CC2)cc1 ZINC000086724555 636888375 /nfs/dbraw/zinc/88/83/75/636888375.db2.gz GYSPOUYSEHFQRF-UHFFFAOYSA-N 1 0 236.384 3.090 10 0 BGAERO CC1(C)CCCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000086844257 491064655 /nfs/dbraw/zinc/06/46/55/491064655.db2.gz DRUQKOQZZYKBBP-STQMWFEESA-N 1 0 225.376 3.114 10 0 BGAERO CC1(C)CCCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000086844260 491064661 /nfs/dbraw/zinc/06/46/61/491064661.db2.gz DRUQKOQZZYKBBP-QWHCGFSZSA-N 1 0 225.376 3.114 10 0 BGAERO CC1(C)CCc2sc(C3([NH3+])CCCC3)nc21 ZINC000086857614 535331399 /nfs/dbraw/zinc/33/13/99/535331399.db2.gz HWJPFSOAGATLSL-UHFFFAOYSA-N 1 0 236.384 3.095 10 0 BGAERO CCn1cccc1C[NH2+][C@H]1CCCC1(C)C ZINC000086873088 536102576 /nfs/dbraw/zinc/10/25/76/536102576.db2.gz OGOAOKOWZYIKCR-ZDUSSCGKSA-N 1 0 220.360 3.176 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000086896546 491065094 /nfs/dbraw/zinc/06/50/94/491065094.db2.gz ZRCATBGJQZAOBM-YGRLFVJLSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000086896547 491065038 /nfs/dbraw/zinc/06/50/38/491065038.db2.gz ZRCATBGJQZAOBM-HZMBPMFUSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000086896550 491065071 /nfs/dbraw/zinc/06/50/71/491065071.db2.gz ZRCATBGJQZAOBM-QMTHXVAHSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccccc1C1CC1 ZINC000086896552 491065010 /nfs/dbraw/zinc/06/50/10/491065010.db2.gz ZRCATBGJQZAOBM-IINYFYTJSA-N 1 0 201.313 3.062 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000086904224 487583571 /nfs/dbraw/zinc/58/35/71/487583571.db2.gz XOAQIGAALQPUQJ-BARDWOONSA-N 1 0 239.403 3.238 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC1 ZINC000086904238 487582881 /nfs/dbraw/zinc/58/28/81/487582881.db2.gz DSNCZMNJVUPMMN-MJBXVCDLSA-N 1 0 239.403 3.238 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000086904244 487582858 /nfs/dbraw/zinc/58/28/58/487582858.db2.gz DSNCZMNJVUPMMN-IHRRRGAJSA-N 1 0 239.403 3.238 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000087011679 259341745 /nfs/dbraw/zinc/34/17/45/259341745.db2.gz CPUVWERFLVJIKB-GUTXKFCHSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000087011683 259341705 /nfs/dbraw/zinc/34/17/05/259341705.db2.gz CPUVWERFLVJIKB-YDHLFZDLSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000087011918 343635654 /nfs/dbraw/zinc/63/56/54/343635654.db2.gz UYBUXQCVNKWKJU-YGRLFVJLSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000087011920 135500328 /nfs/dbraw/zinc/50/03/28/135500328.db2.gz UYBUXQCVNKWKJU-HZMBPMFUSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000087011922 343635436 /nfs/dbraw/zinc/63/54/36/343635436.db2.gz UYBUXQCVNKWKJU-QMTHXVAHSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cccc(C2CC2)c1 ZINC000087011924 343635378 /nfs/dbraw/zinc/63/53/78/343635378.db2.gz UYBUXQCVNKWKJU-IINYFYTJSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011926 343635606 /nfs/dbraw/zinc/63/56/06/343635606.db2.gz JUMKJJUQEBIPJM-YGRLFVJLSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011927 135500138 /nfs/dbraw/zinc/50/01/38/135500138.db2.gz JUMKJJUQEBIPJM-HZMBPMFUSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011930 343635628 /nfs/dbraw/zinc/63/56/28/343635628.db2.gz JUMKJJUQEBIPJM-QMTHXVAHSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C2CC2)cc1 ZINC000087011932 490164310 /nfs/dbraw/zinc/16/43/10/490164310.db2.gz JUMKJJUQEBIPJM-IINYFYTJSA-N 1 0 201.313 3.062 10 0 BGAERO CCC(O)(CC)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000087014110 387291210 /nfs/dbraw/zinc/29/12/10/387291210.db2.gz QCHUOSVKBGTKKI-QWHCGFSZSA-N 1 0 241.419 3.342 10 0 BGAERO CCC(O)(CC)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000087014112 387291607 /nfs/dbraw/zinc/29/16/07/387291607.db2.gz QCHUOSVKBGTKKI-STQMWFEESA-N 1 0 241.419 3.342 10 0 BGAERO CCC(O)(CC)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000087014114 387290800 /nfs/dbraw/zinc/29/08/00/387290800.db2.gz QCHUOSVKBGTKKI-CHWSQXEVSA-N 1 0 241.419 3.342 10 0 BGAERO CCC(O)(CC)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000087014116 387291252 /nfs/dbraw/zinc/29/12/52/387291252.db2.gz QCHUOSVKBGTKKI-OLZOCXBDSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CC2(O)CCCCCC2)C1 ZINC000087088905 256605126 /nfs/dbraw/zinc/60/51/26/256605126.db2.gz BZPYTYSCGHCZCY-ZIAGYGMSSA-N 1 0 239.403 3.240 10 0 BGAERO [NH3+]C1CC(c2ccc(Cl)c(Cl)c2)C1 ZINC000087199413 181340370 /nfs/dbraw/zinc/34/03/70/181340370.db2.gz GPGVWJNJGQOPEM-UHFFFAOYSA-N 1 0 216.111 3.198 10 0 BGAERO [NH3+]C1CC(c2cc(Cl)ccc2Cl)C1 ZINC000087199444 384750508 /nfs/dbraw/zinc/75/05/08/384750508.db2.gz RGHFRCABYHBHBI-UHFFFAOYSA-N 1 0 216.111 3.198 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(F)cc(F)c1 ZINC000087282723 384757654 /nfs/dbraw/zinc/75/76/54/384757654.db2.gz SPVPXJTWLRMARJ-LWINAJNOSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000087282725 384756598 /nfs/dbraw/zinc/75/65/98/384756598.db2.gz SPVPXJTWLRMARJ-UBJUHAIHSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(F)cc(F)c1 ZINC000087282726 384757332 /nfs/dbraw/zinc/75/73/32/384757332.db2.gz SPVPXJTWLRMARJ-RGNHYFCHSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(F)cc(F)c1 ZINC000087282727 384756885 /nfs/dbraw/zinc/75/68/85/384756885.db2.gz SPVPXJTWLRMARJ-YVZVNANGSA-N 1 0 211.255 3.024 10 0 BGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]2C)C12CCCCC2 ZINC000087300498 385094352 /nfs/dbraw/zinc/09/43/52/385094352.db2.gz NQJYXYPUJYHCDK-RFQIPJPRSA-N 1 0 237.387 3.112 10 0 BGAERO CCn1cccc1C[NH2+]Cc1sccc1C ZINC000087308615 172209834 /nfs/dbraw/zinc/20/98/34/172209834.db2.gz KOASRSKZDFWGIK-UHFFFAOYSA-N 1 0 234.368 3.168 10 0 BGAERO Cc1cscc1C[NH2+]CCc1ccccc1 ZINC000087309186 640870974 /nfs/dbraw/zinc/87/09/74/640870974.db2.gz MIYKHHIFATWBOG-UHFFFAOYSA-N 1 0 231.364 3.389 10 0 BGAERO CCn1cccc1C[NH2+]Cc1cscc1C ZINC000087309466 536102508 /nfs/dbraw/zinc/10/25/08/536102508.db2.gz CKYATUWSJVTHOQ-UHFFFAOYSA-N 1 0 234.368 3.168 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1F ZINC000087364102 359908791 /nfs/dbraw/zinc/90/87/91/359908791.db2.gz XPAZZCONHOQGAQ-CMPLNLGQSA-N 1 0 239.359 3.290 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1F ZINC000087364107 135505266 /nfs/dbraw/zinc/50/52/66/135505266.db2.gz XPAZZCONHOQGAQ-JQWIXIFHSA-N 1 0 239.359 3.290 10 0 BGAERO C[C@]1(c2sccc2Br)CCC[NH2+]1 ZINC000087570348 177481428 /nfs/dbraw/zinc/48/14/28/177481428.db2.gz YQOKOGDOQKRSIW-SECBINFHSA-N 1 0 246.173 3.109 10 0 BGAERO CC(C)[C@H]([NH2+]C1COC1)c1ccc(Cl)cc1 ZINC000087596836 535119684 /nfs/dbraw/zinc/11/96/84/535119684.db2.gz KWXKVIBTYSBISM-ZDUSSCGKSA-N 1 0 239.746 3.026 10 0 BGAERO CC(C)[C@@H]([NH2+]C1COC1)c1ccc(Cl)cc1 ZINC000087596837 135159868 /nfs/dbraw/zinc/15/98/68/135159868.db2.gz KWXKVIBTYSBISM-CYBMUJFWSA-N 1 0 239.746 3.026 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000087620466 256528060 /nfs/dbraw/zinc/52/80/60/256528060.db2.gz LSKJDVFEJLTNDC-AGIUHOORSA-N 1 0 227.417 3.440 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@]2(C)CCCS2)C1 ZINC000087620470 256528027 /nfs/dbraw/zinc/52/80/27/256528027.db2.gz LSKJDVFEJLTNDC-UPJWGTAASA-N 1 0 227.417 3.440 10 0 BGAERO Cc1ccc2sc([C@@H](C)CC[NH3+])nc2c1 ZINC000087634145 178991299 /nfs/dbraw/zinc/99/12/99/178991299.db2.gz FAADWMAFOJEOSQ-VIFPVBQESA-N 1 0 220.341 3.057 10 0 BGAERO Cc1ccc2sc([C@H](C)CC[NH3+])nc2c1 ZINC000087634146 178990898 /nfs/dbraw/zinc/99/08/98/178990898.db2.gz FAADWMAFOJEOSQ-SECBINFHSA-N 1 0 220.341 3.057 10 0 BGAERO Cc1cccc2sc([C@@H](C)CC[NH3+])nc21 ZINC000087634161 179233765 /nfs/dbraw/zinc/23/37/65/179233765.db2.gz KVPDNXBUEJSAPT-VIFPVBQESA-N 1 0 220.341 3.057 10 0 BGAERO Cc1cccc2sc([C@H](C)CC[NH3+])nc21 ZINC000087634162 179234520 /nfs/dbraw/zinc/23/45/20/179234520.db2.gz KVPDNXBUEJSAPT-SECBINFHSA-N 1 0 220.341 3.057 10 0 BGAERO CC1CCC(C[NH2+]C[C@@H]2CCCS2)CC1 ZINC000087668112 135162465 /nfs/dbraw/zinc/16/24/65/135162465.db2.gz ZWWKMNHQNZXCBZ-BPCQOVAHSA-N 1 0 227.417 3.298 10 0 BGAERO CC1CCC(C[NH2+]C[C@H]2CCCS2)CC1 ZINC000087668113 135162948 /nfs/dbraw/zinc/16/29/48/135162948.db2.gz ZWWKMNHQNZXCBZ-WXRRBKDZSA-N 1 0 227.417 3.298 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000087683654 171056490 /nfs/dbraw/zinc/05/64/90/171056490.db2.gz OMRNDOWJFLGPME-AGIUHOORSA-N 1 0 227.417 3.440 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCCS2)C1 ZINC000087683658 171040085 /nfs/dbraw/zinc/04/00/85/171040085.db2.gz OMRNDOWJFLGPME-UPJWGTAASA-N 1 0 227.417 3.440 10 0 BGAERO c1ccc(CC[NH2+]C[C@@H]2CCCCS2)cc1 ZINC000087683920 631483494 /nfs/dbraw/zinc/48/34/94/631483494.db2.gz SCIVHKZZUBGHGA-AWEZNQCLSA-N 1 0 235.396 3.104 10 0 BGAERO CC[NH2+]CCCCc1ccc2c(c1)CCCC2 ZINC000087730175 170112832 /nfs/dbraw/zinc/11/28/32/170112832.db2.gz VJRVXMWGRRVHJP-UHFFFAOYSA-N 1 0 231.383 3.498 10 0 BGAERO CC(C)[NH2+]CCCCc1ccc2c(c1)CCCO2 ZINC000087730307 167102840 /nfs/dbraw/zinc/10/28/40/167102840.db2.gz ZJZQHGFELNGQSP-UHFFFAOYSA-N 1 0 247.382 3.332 10 0 BGAERO c1cc2c(cc1CCCC[NH2+]C1CC1)CCCO2 ZINC000087730310 183366757 /nfs/dbraw/zinc/36/67/57/183366757.db2.gz OCMCESQAPYNFSP-UHFFFAOYSA-N 1 0 245.366 3.086 10 0 BGAERO Cc1ccc(C[NH2+][C@@H](C)c2cccs2)nc1 ZINC000087782116 359927163 /nfs/dbraw/zinc/92/71/63/359927163.db2.gz YIPLGAGTCHSXEO-NSHDSACASA-N 1 0 232.352 3.302 10 0 BGAERO Cc1ccc(C[NH2+][C@H](C)c2cccs2)nc1 ZINC000087782118 359927748 /nfs/dbraw/zinc/92/77/48/359927748.db2.gz YIPLGAGTCHSXEO-LLVKDONJSA-N 1 0 232.352 3.302 10 0 BGAERO CCC1CCC(c2noc([C@@H]3CCC[NH2+]3)n2)CC1 ZINC000087933470 631486429 /nfs/dbraw/zinc/48/64/29/631486429.db2.gz ZLDAXXGPOIQDLU-MCIGGMRASA-N 1 0 249.358 3.178 10 0 BGAERO CCC1CCC(c2noc([C@H]3CCC[NH2+]3)n2)CC1 ZINC000087933471 644504326 /nfs/dbraw/zinc/50/43/26/644504326.db2.gz ZLDAXXGPOIQDLU-HTAVTVPLSA-N 1 0 249.358 3.178 10 0 BGAERO CCCOc1ccc(C(C)(C)CC[NH3+])cc1 ZINC000087937430 169316794 /nfs/dbraw/zinc/31/67/94/169316794.db2.gz HTLGXPOGEWOWTI-UHFFFAOYSA-N 1 0 221.344 3.102 10 0 BGAERO Cc1c2cc(Cl)ccc2sc1C[NH3+] ZINC000087969029 383874856 /nfs/dbraw/zinc/87/48/56/383874856.db2.gz DINIHPVXSYVZQU-UHFFFAOYSA-N 1 0 211.717 3.322 10 0 BGAERO Cc1c2ccccc2sc1C[NH2+]C1CC1 ZINC000087969130 343676018 /nfs/dbraw/zinc/67/60/18/343676018.db2.gz DRPJNQPNHJQDOV-UHFFFAOYSA-N 1 0 217.337 3.462 10 0 BGAERO c1cc2cccc(C[NH2+]C3CC3)c2s1 ZINC000088038623 368902135 /nfs/dbraw/zinc/90/21/35/368902135.db2.gz IBGZEZZQBHIWRR-UHFFFAOYSA-N 1 0 203.310 3.153 10 0 BGAERO c1cc2cccc(C3=CC[NH2+]CC3)c2s1 ZINC000088039140 368901218 /nfs/dbraw/zinc/90/12/18/368901218.db2.gz FPOVRVHZGVMFPD-UHFFFAOYSA-N 1 0 215.321 3.278 10 0 BGAERO CC(C)(C)[NH2+]Cc1ccc(F)c(Cl)c1 ZINC000088040960 166635614 /nfs/dbraw/zinc/63/56/14/166635614.db2.gz HUISWEBZFBCSQN-UHFFFAOYSA-N 1 0 215.699 3.367 10 0 BGAERO CC[NH2+]CCCCc1ccc(F)c(Cl)c1 ZINC000088046932 170112847 /nfs/dbraw/zinc/11/28/47/170112847.db2.gz NAHZORYYNBNGLG-UHFFFAOYSA-N 1 0 229.726 3.411 10 0 BGAERO COCC[C@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000088098926 584907464 /nfs/dbraw/zinc/90/74/64/584907464.db2.gz OXGMVNIZRILSHE-CQSZACIVSA-N 1 0 235.371 3.195 10 0 BGAERO COCC[C@@H](C[NH2+]C(C)(C)C)c1ccccc1 ZINC000088098928 584907424 /nfs/dbraw/zinc/90/74/24/584907424.db2.gz OXGMVNIZRILSHE-AWEZNQCLSA-N 1 0 235.371 3.195 10 0 BGAERO COCC[C@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000088099174 584907502 /nfs/dbraw/zinc/90/75/02/584907502.db2.gz ZQLMXEQRQIPKEX-OAHLLOKOSA-N 1 0 235.371 3.052 10 0 BGAERO COCC[C@@H](C[NH2+]CC(C)C)c1ccccc1 ZINC000088099176 584907419 /nfs/dbraw/zinc/90/74/19/584907419.db2.gz ZQLMXEQRQIPKEX-HNNXBMFYSA-N 1 0 235.371 3.052 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]Cc2cc[nH]c2)c1 ZINC000088162119 383883339 /nfs/dbraw/zinc/88/33/39/383883339.db2.gz QQIBPGSKAJHZQM-GFCCVEGCSA-N 1 0 214.312 3.174 10 0 BGAERO C[C@@H]([NH2+][C@H]1CCCC[C@@H]1C)c1ccccn1 ZINC000088169785 135517168 /nfs/dbraw/zinc/51/71/68/135517168.db2.gz VZWBWPJIJBRXRC-XQQFMLRXSA-N 1 0 218.344 3.311 10 0 BGAERO Clc1sccc1CC[NH+]1CCCC1 ZINC000088246633 383891748 /nfs/dbraw/zinc/89/17/48/383891748.db2.gz RQMNOWUXNOAMKG-UHFFFAOYSA-N 1 0 215.749 3.040 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1nc(-c2cccs2)c[nH]1 ZINC000088249903 171398283 /nfs/dbraw/zinc/39/82/83/171398283.db2.gz MYRYWZUFZSZTCA-KWQFWETISA-N 1 0 235.356 3.184 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1nc(-c2cccs2)c[nH]1 ZINC000088249905 171372626 /nfs/dbraw/zinc/37/26/26/171372626.db2.gz MYRYWZUFZSZTCA-GZMMTYOYSA-N 1 0 235.356 3.184 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2)cc1F ZINC000088254682 359942131 /nfs/dbraw/zinc/94/21/31/359942131.db2.gz KZECGKXIUWEDDK-LBPRGKRZSA-N 1 0 244.313 3.380 10 0 BGAERO c1ccc(CC[NH2+]CC(C2CC2)C2CC2)cc1 ZINC000088455719 641356919 /nfs/dbraw/zinc/35/69/19/641356919.db2.gz DPKPGNRPRYNHKV-UHFFFAOYSA-N 1 0 229.367 3.255 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2cc[nH]c2)cc1F ZINC000088511332 359964763 /nfs/dbraw/zinc/96/47/63/359964763.db2.gz HNRQHQMFGZXFQN-NSHDSACASA-N 1 0 232.302 3.313 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2cccn2C)cc1F ZINC000088511453 359964246 /nfs/dbraw/zinc/96/42/46/359964246.db2.gz GZSYHHPPEXQPNA-LBPRGKRZSA-N 1 0 246.329 3.323 10 0 BGAERO [NH3+][C@H](CCCc1ccncc1)c1ccccc1 ZINC000088531712 368915375 /nfs/dbraw/zinc/91/53/75/368915375.db2.gz JGZZZDDCVDAISH-OAHLLOKOSA-N 1 0 226.323 3.104 10 0 BGAERO [NH3+][C@@H](CCCc1ccncc1)c1ccccc1 ZINC000088531713 368916028 /nfs/dbraw/zinc/91/60/28/368916028.db2.gz JGZZZDDCVDAISH-HNNXBMFYSA-N 1 0 226.323 3.104 10 0 BGAERO CC[C@H]([NH2+]Cc1ccc(COC)cc1)C(C)C ZINC000088568243 535917035 /nfs/dbraw/zinc/91/70/35/535917035.db2.gz BNAUYVSVGBRWDK-HNNXBMFYSA-N 1 0 235.371 3.357 10 0 BGAERO CC[C@@H]([NH2+]Cc1ccc(COC)cc1)C(C)C ZINC000088568244 359966872 /nfs/dbraw/zinc/96/68/72/359966872.db2.gz BNAUYVSVGBRWDK-OAHLLOKOSA-N 1 0 235.371 3.357 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CC=CCC2)c1C ZINC000088747776 135525725 /nfs/dbraw/zinc/52/57/25/135525725.db2.gz UJSNRESHDONQSR-RISCZKNCSA-N 1 0 247.386 3.279 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC=CCC2)c1C ZINC000088747777 359974054 /nfs/dbraw/zinc/97/40/54/359974054.db2.gz UJSNRESHDONQSR-FZMZJTMJSA-N 1 0 247.386 3.279 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CC=CCC2)c1C ZINC000088747778 359974140 /nfs/dbraw/zinc/97/41/40/359974140.db2.gz UJSNRESHDONQSR-BXUZGUMPSA-N 1 0 247.386 3.279 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC=CCC2)c1C ZINC000088747779 359974242 /nfs/dbraw/zinc/97/42/42/359974242.db2.gz UJSNRESHDONQSR-SMDDNHRTSA-N 1 0 247.386 3.279 10 0 BGAERO Cc1cc(O[C@@H](C[NH3+])c2ccccc2)ccc1F ZINC000089065013 178213089 /nfs/dbraw/zinc/21/30/89/178213089.db2.gz YWDNPHFGAMAPON-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cc(O[C@H](C[NH3+])c2ccccc2)ccc1F ZINC000089065014 178214640 /nfs/dbraw/zinc/21/46/40/178214640.db2.gz YWDNPHFGAMAPON-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO Fc1ccc(-c2ncc[nH]2)c(C(F)(F)F)c1 ZINC000089065112 383931398 /nfs/dbraw/zinc/93/13/98/383931398.db2.gz PTHOQBQEQGOIBY-UHFFFAOYSA-N 1 0 230.164 3.235 10 0 BGAERO CCCC1CCC([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000089151177 259308387 /nfs/dbraw/zinc/30/83/87/259308387.db2.gz KIFPPUPPOQWDJA-SHWKFHJASA-N 1 0 239.403 3.096 10 0 BGAERO CCCC1CCC([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000089151180 259308092 /nfs/dbraw/zinc/30/80/92/259308092.db2.gz KIFPPUPPOQWDJA-HXSCFSKGSA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)Oc1cccc(C2=CC[N@H+](C)C[C@H]2C)c1 ZINC000089157521 167304759 /nfs/dbraw/zinc/30/47/59/167304759.db2.gz JCOCMGVCOFDDLL-CYBMUJFWSA-N 1 0 245.366 3.439 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000089159473 487764198 /nfs/dbraw/zinc/76/41/98/487764198.db2.gz SVNQISNMVIDGJN-QPSCCSFWSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)c1ccc(C)cc1 ZINC000089162633 359995664 /nfs/dbraw/zinc/99/56/64/359995664.db2.gz PSNSQCYJHYDERD-JYJNAYRXSA-N 1 0 247.382 3.197 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)c1ccc(C)cc1 ZINC000089162635 535911982 /nfs/dbraw/zinc/91/19/82/535911982.db2.gz PSNSQCYJHYDERD-PMPSAXMXSA-N 1 0 247.382 3.197 10 0 BGAERO CC1(C)CCC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2O)CC1 ZINC000089163412 487764077 /nfs/dbraw/zinc/76/40/77/487764077.db2.gz KUGKYNFFBAUIKP-IHRRRGAJSA-N 1 0 239.403 3.096 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000089163425 178890591 /nfs/dbraw/zinc/89/05/91/178890591.db2.gz RFWWZGDLVBQNJM-DZKIICNBSA-N 1 0 247.382 3.115 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2O)c(C)c1 ZINC000089163427 383939014 /nfs/dbraw/zinc/93/90/14/383939014.db2.gz RFWWZGDLVBQNJM-LZWOXQAQSA-N 1 0 247.382 3.115 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]2O)cc1C ZINC000089164049 178889950 /nfs/dbraw/zinc/88/99/50/178889950.db2.gz DCNIXARLTSWZCP-BPUTZDHNSA-N 1 0 247.382 3.115 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]2O)cc1C ZINC000089164051 383938370 /nfs/dbraw/zinc/93/83/70/383938370.db2.gz DCNIXARLTSWZCP-IMJJTQAJSA-N 1 0 247.382 3.115 10 0 BGAERO CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2O)cc1 ZINC000089164716 388544006 /nfs/dbraw/zinc/54/40/06/388544006.db2.gz XKRMVYPCTLVRHV-HOTGVXAUSA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2O)cc1 ZINC000089164719 259308395 /nfs/dbraw/zinc/30/83/95/259308395.db2.gz XKRMVYPCTLVRHV-HZPDHXFCSA-N 1 0 247.382 3.061 10 0 BGAERO CCn1nc(C[NH2+][C@@H](C)C(C)C)c2ccccc21 ZINC000089174063 172251014 /nfs/dbraw/zinc/25/10/14/172251014.db2.gz XGNNDDYUFYREMZ-LBPRGKRZSA-N 1 0 245.370 3.190 10 0 BGAERO CCn1nc(C[NH2+][C@H](C)C(C)C)c2ccccc21 ZINC000089174064 172249805 /nfs/dbraw/zinc/24/98/05/172249805.db2.gz XGNNDDYUFYREMZ-GFCCVEGCSA-N 1 0 245.370 3.190 10 0 BGAERO c1cc2cc(C3=CC[NH2+]CC3)ccc2s1 ZINC000089195354 383941080 /nfs/dbraw/zinc/94/10/80/383941080.db2.gz XAHSXQHNSKIYNX-UHFFFAOYSA-N 1 0 215.321 3.278 10 0 BGAERO CCC[C@@H](C)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000089210244 169371319 /nfs/dbraw/zinc/37/13/19/169371319.db2.gz OYUONWLXJLKIIC-ZWNOBZJWSA-N 1 0 241.762 3.152 10 0 BGAERO CCC[C@H](C)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000089210246 169494045 /nfs/dbraw/zinc/49/40/45/169494045.db2.gz OYUONWLXJLKIIC-GXFFZTMASA-N 1 0 241.762 3.152 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Cl)s1 ZINC000089213205 385192768 /nfs/dbraw/zinc/19/27/68/385192768.db2.gz IVPIDLDIOWXAPU-IWSPIJDZSA-N 1 0 245.775 3.230 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(Cl)s1 ZINC000089216123 385193891 /nfs/dbraw/zinc/19/38/91/385193891.db2.gz IVPIDLDIOWXAPU-DJLDLDEBSA-N 1 0 245.775 3.230 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(Cl)s1 ZINC000089216124 343745210 /nfs/dbraw/zinc/74/52/10/343745210.db2.gz IVPIDLDIOWXAPU-XHNCKOQMSA-N 1 0 245.775 3.230 10 0 BGAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(Cl)s1 ZINC000089216126 343745245 /nfs/dbraw/zinc/74/52/45/343745245.db2.gz IVPIDLDIOWXAPU-YIZRAAEISA-N 1 0 245.775 3.230 10 0 BGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(Cl)s1 ZINC000089216128 343745222 /nfs/dbraw/zinc/74/52/22/343745222.db2.gz IVPIDLDIOWXAPU-CIUDSAMLSA-N 1 0 245.775 3.230 10 0 BGAERO COc1ccc(-c2[nH+]ccc3[nH]ccc32)cc1 ZINC000089220634 175040557 /nfs/dbraw/zinc/04/05/57/175040557.db2.gz PGTJDUGDAISZOA-UHFFFAOYSA-N 1 0 224.263 3.239 10 0 BGAERO CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000089552786 360025519 /nfs/dbraw/zinc/02/55/19/360025519.db2.gz SLVAYZLSBXLJLR-YCPHGPKFSA-N 1 0 246.398 3.066 10 0 BGAERO CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000089552787 360026228 /nfs/dbraw/zinc/02/62/28/360026228.db2.gz SLVAYZLSBXLJLR-DZKIICNBSA-N 1 0 246.398 3.066 10 0 BGAERO Cc1cccnc1C[NH2+]CC1CCCCCC1 ZINC000089560249 259322982 /nfs/dbraw/zinc/32/29/82/259322982.db2.gz SHJHWGAVSXSOJW-UHFFFAOYSA-N 1 0 232.371 3.450 10 0 BGAERO O[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000089560475 259322847 /nfs/dbraw/zinc/32/28/47/259322847.db2.gz WEIABUQDLQRKBX-GJZGRUSLSA-N 1 0 239.403 3.098 10 0 BGAERO O[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000089560476 259322541 /nfs/dbraw/zinc/32/25/41/259322541.db2.gz WEIABUQDLQRKBX-CABCVRRESA-N 1 0 239.403 3.098 10 0 BGAERO O[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC000089560479 259322549 /nfs/dbraw/zinc/32/25/49/259322549.db2.gz WEIABUQDLQRKBX-LSDHHAIUSA-N 1 0 239.403 3.098 10 0 BGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC000089560481 259323100 /nfs/dbraw/zinc/32/31/00/259323100.db2.gz WEIABUQDLQRKBX-HUUCEWRRSA-N 1 0 239.403 3.098 10 0 BGAERO CCCN(CC1CCCCCC1)[C@@H]1CC[NH2+]C1 ZINC000089562552 256577680 /nfs/dbraw/zinc/57/76/80/256577680.db2.gz DTJUMBYFVFENPH-OAHLLOKOSA-N 1 0 238.419 3.031 10 0 BGAERO COc1ccc(C[NH2+]CC2CCC(C)CC2)cn1 ZINC000089575662 360027107 /nfs/dbraw/zinc/02/71/07/360027107.db2.gz YDPLVVUIPMNNKT-UHFFFAOYSA-N 1 0 248.370 3.006 10 0 BGAERO CC1CCC(C[NH2+]CCCOCC2CC2)CC1 ZINC000089575669 360027415 /nfs/dbraw/zinc/02/74/15/360027415.db2.gz BHLDLSVSDKRWQZ-UHFFFAOYSA-N 1 0 239.403 3.219 10 0 BGAERO CC1CCC(C[NH2+]CCc2ccc(O)cc2)CC1 ZINC000089576874 135537235 /nfs/dbraw/zinc/53/72/35/135537235.db2.gz HAMSFXLOQKUYRX-UHFFFAOYSA-N 1 0 247.382 3.351 10 0 BGAERO CC1CCC(C[NH2+]CCCCn2ccnc2)CC1 ZINC000089577009 491115777 /nfs/dbraw/zinc/11/57/77/491115777.db2.gz GSNKFBWUDWJZHJ-UHFFFAOYSA-N 1 0 249.402 3.079 10 0 BGAERO Cc1n[nH]cc1CCC[NH2+]CC1CCC(C)CC1 ZINC000089577013 491115800 /nfs/dbraw/zinc/11/58/00/491115800.db2.gz DUQCNEKSYSCOAC-UHFFFAOYSA-N 1 0 249.402 3.067 10 0 BGAERO Cc1cccc(C[NH2+]CC2CCC(C)CC2)n1 ZINC000089577024 491115790 /nfs/dbraw/zinc/11/57/90/491115790.db2.gz JFOAQGMDZKTIKS-UHFFFAOYSA-N 1 0 232.371 3.306 10 0 BGAERO Cc1ccc(C[NH2+]CC2CCC(C)CC2)cn1 ZINC000089577067 383977080 /nfs/dbraw/zinc/97/70/80/383977080.db2.gz GZQGDTFMMQNQKK-UHFFFAOYSA-N 1 0 232.371 3.306 10 0 BGAERO COc1cc(C[NH2+]CC2CCC(C)CC2)ccn1 ZINC000089577069 383976348 /nfs/dbraw/zinc/97/63/48/383976348.db2.gz IUONXZHDFWSGSE-UHFFFAOYSA-N 1 0 248.370 3.006 10 0 BGAERO CC1CCC(C[NH2+][C@@H](CO)c2ccccc2)CC1 ZINC000089577077 360027545 /nfs/dbraw/zinc/02/75/45/360027545.db2.gz KTKCMRZFXXYJLK-XUJLQICISA-N 1 0 247.382 3.136 10 0 BGAERO CC1CCC(C[NH2+][C@H](CO)c2ccccc2)CC1 ZINC000089577079 360027312 /nfs/dbraw/zinc/02/73/12/360027312.db2.gz KTKCMRZFXXYJLK-ZBCRRDGASA-N 1 0 247.382 3.136 10 0 BGAERO CC1CCC(C[NH2+]CCOC2CCCC2)CC1 ZINC000089577111 360027794 /nfs/dbraw/zinc/02/77/94/360027794.db2.gz HQIRDFYTPCJMAH-UHFFFAOYSA-N 1 0 239.403 3.362 10 0 BGAERO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H](C)C2)n1 ZINC000089609736 322893307 /nfs/dbraw/zinc/89/33/07/322893307.db2.gz RQUONUWNERAMSK-GXTWGEPZSA-N 1 0 232.371 3.306 10 0 BGAERO Cc1cccc(C[NH2+]C[C@H]2CCC[C@H](C)C2)n1 ZINC000089609737 385047827 /nfs/dbraw/zinc/04/78/27/385047827.db2.gz RQUONUWNERAMSK-JSGCOSHPSA-N 1 0 232.371 3.306 10 0 BGAERO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@@H](C)C2)n1 ZINC000089609738 385046176 /nfs/dbraw/zinc/04/61/76/385046176.db2.gz RQUONUWNERAMSK-TZMCWYRMSA-N 1 0 232.371 3.306 10 0 BGAERO Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H](C)C2)n1 ZINC000089609739 385046826 /nfs/dbraw/zinc/04/68/26/385046826.db2.gz RQUONUWNERAMSK-OCCSQVGLSA-N 1 0 232.371 3.306 10 0 BGAERO C[C@@H](CCC1CCCC1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000090077178 384573681 /nfs/dbraw/zinc/57/36/81/384573681.db2.gz GMUAWKVYPOIQID-OUCADQQQSA-N 1 0 225.376 3.112 10 0 BGAERO CO/C=C/C1CC[NH+](Cc2ccccc2)CC1 ZINC000090159317 345753008 /nfs/dbraw/zinc/75/30/08/345753008.db2.gz GHUOIKGCIDFVBU-FMIVXFBMSA-N 1 0 231.339 3.059 10 0 BGAERO CCn1cncc1C[NH2+][C@@H](C)c1ccccc1C ZINC000090169936 360061255 /nfs/dbraw/zinc/06/12/55/360061255.db2.gz ADZOJVNFJYVDJK-ZDUSSCGKSA-N 1 0 243.354 3.062 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCc1ccco1 ZINC000090175003 368973616 /nfs/dbraw/zinc/97/36/16/368973616.db2.gz ZJQWXVCUOMTNIS-OUCADQQQSA-N 1 0 221.344 3.379 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000090175026 360062425 /nfs/dbraw/zinc/06/24/25/360062425.db2.gz WOUIDHHTOJYYFA-GDLCADMTSA-N 1 0 249.402 3.359 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000090175029 360062714 /nfs/dbraw/zinc/06/27/14/360062714.db2.gz WOUIDHHTOJYYFA-ZLKJLUDKSA-N 1 0 249.402 3.359 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cncc(F)c1 ZINC000090175076 384032577 /nfs/dbraw/zinc/03/25/77/384032577.db2.gz WSPVRNATPBMZSL-CWSCBRNRSA-N 1 0 222.307 3.060 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cncc(F)c1 ZINC000090175079 384032525 /nfs/dbraw/zinc/03/25/25/384032525.db2.gz WSPVRNATPBMZSL-OPQQBVKSSA-N 1 0 222.307 3.060 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(C)o1 ZINC000090175134 322959620 /nfs/dbraw/zinc/95/96/20/322959620.db2.gz CAYKXNGSRVSJJT-TUAOUCFPSA-N 1 0 207.317 3.427 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(C)o1 ZINC000090175138 322959637 /nfs/dbraw/zinc/95/96/37/322959637.db2.gz CAYKXNGSRVSJJT-QJPTWQEYSA-N 1 0 207.317 3.427 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000090175447 384031969 /nfs/dbraw/zinc/03/19/69/384031969.db2.gz NKXKDUDLSXSBJW-GRYCIOLGSA-N 1 0 225.376 3.111 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000090175451 384030834 /nfs/dbraw/zinc/03/08/34/384030834.db2.gz NKXKDUDLSXSBJW-IJLUTSLNSA-N 1 0 225.376 3.111 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1ccsc1 ZINC000090175792 346395145 /nfs/dbraw/zinc/39/51/45/346395145.db2.gz LSCSBROPSFIQFA-CYZMBNFOSA-N 1 0 223.385 3.457 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000090175832 384031451 /nfs/dbraw/zinc/03/14/51/384031451.db2.gz BSOQCCKRDGBTTB-CWSCBRNRSA-N 1 0 222.307 3.060 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc(F)cn1 ZINC000090175837 384031886 /nfs/dbraw/zinc/03/18/86/384031886.db2.gz BSOQCCKRDGBTTB-OPQQBVKSSA-N 1 0 222.307 3.060 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1ccccc1OC ZINC000090175859 256580338 /nfs/dbraw/zinc/58/03/38/256580338.db2.gz COZAVJMFYMBBPH-GZBFAFLISA-N 1 0 247.382 3.404 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1ccc(OC)cc1 ZINC000090176063 398270324 /nfs/dbraw/zinc/27/03/24/398270324.db2.gz QCACCPAKFQWDAI-JGGQBBKZSA-N 1 0 247.382 3.404 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000090176189 384032077 /nfs/dbraw/zinc/03/20/77/384032077.db2.gz MWRUEOUNQUCHRW-UHTWSYAYSA-N 1 0 247.338 3.255 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000090176193 384032626 /nfs/dbraw/zinc/03/26/26/384032626.db2.gz MWRUEOUNQUCHRW-CYZMBNFOSA-N 1 0 247.338 3.255 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090176418 582683663 /nfs/dbraw/zinc/68/36/63/582683663.db2.gz KAQUGLVNSSSZKC-GDPRMGEGSA-N 1 0 224.373 3.291 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cnc(C)s1 ZINC000090176422 582683686 /nfs/dbraw/zinc/68/36/86/582683686.db2.gz KAQUGLVNSSSZKC-JMJZKYOTSA-N 1 0 224.373 3.291 10 0 BGAERO CC(C)n1cncc1C[NH2+][C@@H](C)c1cccs1 ZINC000090207697 360064593 /nfs/dbraw/zinc/06/45/93/360064593.db2.gz VIBKMLCMJHTVCL-NSHDSACASA-N 1 0 249.383 3.376 10 0 BGAERO CC(C)n1cncc1C[NH2+][C@H](C)c1cccs1 ZINC000090207698 360064462 /nfs/dbraw/zinc/06/44/62/360064462.db2.gz VIBKMLCMJHTVCL-LLVKDONJSA-N 1 0 249.383 3.376 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(CC)CC2)c1C ZINC000090219421 360065657 /nfs/dbraw/zinc/06/56/57/360065657.db2.gz UQSNBUGAVJHVLG-NSHDSACASA-N 1 0 249.402 3.361 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(CC)CC2)c1C ZINC000090219422 360065952 /nfs/dbraw/zinc/06/59/52/360065952.db2.gz UQSNBUGAVJHVLG-LLVKDONJSA-N 1 0 249.402 3.361 10 0 BGAERO CC1(C[NH2+][C@@H]2CCOc3ccccc32)CCC1 ZINC000090219817 535158424 /nfs/dbraw/zinc/15/84/24/535158424.db2.gz HXXDSTHFRVKYPV-CYBMUJFWSA-N 1 0 231.339 3.290 10 0 BGAERO CC1(C[NH2+][C@H]2CCOc3ccccc32)CCC1 ZINC000090219818 537955875 /nfs/dbraw/zinc/95/58/75/537955875.db2.gz HXXDSTHFRVKYPV-ZDUSSCGKSA-N 1 0 231.339 3.290 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2(C)CCC2)c1C ZINC000090219827 360065846 /nfs/dbraw/zinc/06/58/46/360065846.db2.gz QYAGFTYZROHVDZ-LLVKDONJSA-N 1 0 249.402 3.361 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CC2(C)CCC2)c1C ZINC000090219828 360065602 /nfs/dbraw/zinc/06/56/02/360065602.db2.gz QYAGFTYZROHVDZ-NSHDSACASA-N 1 0 249.402 3.361 10 0 BGAERO [NH3+]CCc1ccc(Oc2ccc(F)cc2F)cc1 ZINC000090225760 181412300 /nfs/dbraw/zinc/41/23/00/181412300.db2.gz OLIXDGMBWMHXHY-UHFFFAOYSA-N 1 0 249.260 3.258 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC2CCC2)c1C ZINC000090233233 631524939 /nfs/dbraw/zinc/52/49/39/631524939.db2.gz NVVFQULFCWFPMY-LLVKDONJSA-N 1 0 249.402 3.361 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CCC2CCC2)c1C ZINC000090233235 643077474 /nfs/dbraw/zinc/07/74/74/643077474.db2.gz NVVFQULFCWFPMY-NSHDSACASA-N 1 0 249.402 3.361 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2C=CCCC2)o1 ZINC000090392833 398099491 /nfs/dbraw/zinc/09/94/91/398099491.db2.gz IXJFYPVETJENQH-NEPJUHHUSA-N 1 0 205.301 3.347 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2C=CCCC2)o1 ZINC000090392834 178898878 /nfs/dbraw/zinc/89/88/78/178898878.db2.gz IXJFYPVETJENQH-RYUDHWBXSA-N 1 0 205.301 3.347 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2C=CCCC2)o1 ZINC000090392835 398099407 /nfs/dbraw/zinc/09/94/07/398099407.db2.gz IXJFYPVETJENQH-VXGBXAGGSA-N 1 0 205.301 3.347 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C=CCCC2)o1 ZINC000090392836 398099396 /nfs/dbraw/zinc/09/93/96/398099396.db2.gz IXJFYPVETJENQH-NWDGAFQWSA-N 1 0 205.301 3.347 10 0 BGAERO CCC[N@@H+]1CC[C@@H](c2c(O)cccc2CC)C1 ZINC000090448515 169207113 /nfs/dbraw/zinc/20/71/13/169207113.db2.gz FQSQUTHNAXNRPQ-CYBMUJFWSA-N 1 0 233.355 3.154 10 0 BGAERO Nc1cc[nH+]cc1Oc1cccc(Cl)c1 ZINC000090494468 181764740 /nfs/dbraw/zinc/76/47/40/181764740.db2.gz IFSRPSZBWRYJSS-UHFFFAOYSA-N 1 0 220.659 3.110 10 0 BGAERO Cc1ccccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000090504830 179256356 /nfs/dbraw/zinc/25/63/56/179256356.db2.gz JLYWUZIKGCYHSH-KGLIPLIRSA-N 1 0 213.324 3.245 10 0 BGAERO C[N@@H+]1CCC2=C(CCC[C@@H]2Oc2ccccc2)C1 ZINC000090504981 173003194 /nfs/dbraw/zinc/00/31/94/173003194.db2.gz GOFGHFURVDUNAJ-INIZCTEOSA-N 1 0 243.350 3.250 10 0 BGAERO C[N@@H+]1CCC2=C(CCC[C@H]2Oc2ccccc2)C1 ZINC000090504982 173003586 /nfs/dbraw/zinc/00/35/86/173003586.db2.gz GOFGHFURVDUNAJ-MRXNPFEDSA-N 1 0 243.350 3.250 10 0 BGAERO C[N@@H+]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000090505017 173035949 /nfs/dbraw/zinc/03/59/49/173035949.db2.gz KXRPRXTWYMJVQT-LLVKDONJSA-N 1 0 229.245 3.472 10 0 BGAERO C[N@@H+]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000090505018 173059899 /nfs/dbraw/zinc/05/98/99/173059899.db2.gz KXRPRXTWYMJVQT-NSHDSACASA-N 1 0 229.245 3.472 10 0 BGAERO COc1ccc([C@H]2CC[C@@H](C)CC[NH2+]2)cc1 ZINC000090547501 175195622 /nfs/dbraw/zinc/19/56/22/175195622.db2.gz GHKRADRHFRJDOI-BXUZGUMPSA-N 1 0 219.328 3.146 10 0 BGAERO COc1ccc([C@H]2CC[C@H](C)CC[NH2+]2)cc1 ZINC000090547502 175195316 /nfs/dbraw/zinc/19/53/16/175195316.db2.gz GHKRADRHFRJDOI-SMDDNHRTSA-N 1 0 219.328 3.146 10 0 BGAERO COc1ccc([C@@H]2CC[C@@H](C)CC[NH2+]2)cc1 ZINC000090547503 175183307 /nfs/dbraw/zinc/18/33/07/175183307.db2.gz GHKRADRHFRJDOI-RISCZKNCSA-N 1 0 219.328 3.146 10 0 BGAERO COc1ccc([C@@H]2CC[C@H](C)CC[NH2+]2)cc1 ZINC000090547504 175183976 /nfs/dbraw/zinc/18/39/76/175183976.db2.gz GHKRADRHFRJDOI-FZMZJTMJSA-N 1 0 219.328 3.146 10 0 BGAERO Brc1ccc([C@H]2CCC=N2)cc1 ZINC000090549446 166099363 /nfs/dbraw/zinc/09/93/63/166099363.db2.gz RIGLTFZCAATFKP-SNVBAGLBSA-N 1 0 224.101 3.355 10 0 BGAERO C[C@@]1([NH3+])CC=C(c2ccc(F)cc2)CC1 ZINC000090558177 538591519 /nfs/dbraw/zinc/59/15/19/538591519.db2.gz LDSYMTFTCFVKFD-CYBMUJFWSA-N 1 0 205.276 3.110 10 0 BGAERO C[C@]1([NH3+])CC=C(c2ccc(F)cc2)CC1 ZINC000090558178 538591458 /nfs/dbraw/zinc/59/14/58/538591458.db2.gz LDSYMTFTCFVKFD-ZDUSSCGKSA-N 1 0 205.276 3.110 10 0 BGAERO Cc1[nH+]c2ccc(N)cc2c(N)c1-c1ccccc1 ZINC000090600003 180092649 /nfs/dbraw/zinc/09/26/49/180092649.db2.gz YHPOAVJPMPHMPV-UHFFFAOYSA-N 1 0 249.317 3.375 10 0 BGAERO Nc1ccc2cc(C[NH+]3CCCCC3)ccc2c1 ZINC000090600156 363511611 /nfs/dbraw/zinc/51/16/11/363511611.db2.gz PZJPGXPFQBLOHQ-UHFFFAOYSA-N 1 0 240.350 3.408 10 0 BGAERO CC(C)(F)[C@H](c1cc(F)cc(F)c1)C1C[NH2+]C1 ZINC000090755716 398280397 /nfs/dbraw/zinc/28/03/97/398280397.db2.gz ZNTXMVIPTNSMOS-GFCCVEGCSA-N 1 0 243.272 3.016 10 0 BGAERO CC(C)(C)C(=C1C[NH2+]C1)c1cc(F)cc(F)c1 ZINC000090760512 188271489 /nfs/dbraw/zinc/27/14/89/188271489.db2.gz QXDCJXOFMPUCPO-UHFFFAOYSA-N 1 0 237.293 3.368 10 0 BGAERO c1cc(C[NH2+]C23CC4CC(CC(C4)C2)C3)c[nH]1 ZINC000090994209 183348272 /nfs/dbraw/zinc/34/82/72/183348272.db2.gz OJWDSALWSBQOCU-UHFFFAOYSA-N 1 0 230.355 3.073 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]Cc2cc[nH]c2)cc1 ZINC000090994395 384090670 /nfs/dbraw/zinc/09/06/70/384090670.db2.gz JJOXJKKWCAPEBT-GFCCVEGCSA-N 1 0 228.339 3.428 10 0 BGAERO FC(F)(F)C1CCC([NH2+]Cc2cc[nH]c2)CC1 ZINC000090994576 180879645 /nfs/dbraw/zinc/87/96/45/180879645.db2.gz CZRVHUHSQFRTOE-UHFFFAOYSA-N 1 0 246.276 3.225 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]Cc2cc[nH]c2)c(C)c1 ZINC000090994712 384089155 /nfs/dbraw/zinc/08/91/55/384089155.db2.gz GIRIWSVWOGPHNG-CYBMUJFWSA-N 1 0 228.339 3.482 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2cc[nH]c2)c(C)c1 ZINC000090994713 384090341 /nfs/dbraw/zinc/09/03/41/384090341.db2.gz GIRIWSVWOGPHNG-ZDUSSCGKSA-N 1 0 228.339 3.482 10 0 BGAERO CCCn1ccc(C[NH2+][C@@H](C)c2ccccn2)c1 ZINC000091009577 135558407 /nfs/dbraw/zinc/55/84/07/135558407.db2.gz GWKFXJOOALGSPT-ZDUSSCGKSA-N 1 0 243.354 3.144 10 0 BGAERO CCCn1ccc(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000091013109 135558097 /nfs/dbraw/zinc/55/80/97/135558097.db2.gz DBTAVKKAWYHFIA-CQSZACIVSA-N 1 0 232.371 3.344 10 0 BGAERO CCn1cccc1C[NH2+][C@@H](C)c1ccccc1 ZINC000091022116 172209218 /nfs/dbraw/zinc/20/92/18/172209218.db2.gz STEDCQSJNXCRFT-ZDUSSCGKSA-N 1 0 228.339 3.359 10 0 BGAERO CCn1cccc1C[NH2+]Cc1ccccc1Cl ZINC000091022337 172207204 /nfs/dbraw/zinc/20/72/04/172207204.db2.gz FSZNRQHPDNHPDT-UHFFFAOYSA-N 1 0 248.757 3.451 10 0 BGAERO CCn1cccc1C[NH2+]Cc1ccc(C)cc1 ZINC000091022610 172207825 /nfs/dbraw/zinc/20/78/25/172207825.db2.gz BJZUGMUSQARCNG-UHFFFAOYSA-N 1 0 228.339 3.106 10 0 BGAERO CCn1cccc1C[NH2+][C@@H]1CCc2ccccc21 ZINC000091022898 172208700 /nfs/dbraw/zinc/20/87/00/172208700.db2.gz NUAOAOVWKHWPFE-MRXNPFEDSA-N 1 0 240.350 3.285 10 0 BGAERO CCn1cccc1C[NH2+]Cc1cccc(C)c1 ZINC000091022928 172207078 /nfs/dbraw/zinc/20/70/78/172207078.db2.gz ZZFQSHQYNJWOFM-UHFFFAOYSA-N 1 0 228.339 3.106 10 0 BGAERO CCn1cccc1C[NH2+]C[C@@H](C)c1ccccc1 ZINC000091022956 256582359 /nfs/dbraw/zinc/58/23/59/256582359.db2.gz UQTIRDODPIBGKK-CQSZACIVSA-N 1 0 242.366 3.401 10 0 BGAERO CCn1cccc1C[NH2+][C@@H](C)CCc1ccco1 ZINC000091023013 172209672 /nfs/dbraw/zinc/20/96/72/172209672.db2.gz GSIMIHAXCSBNSB-ZDUSSCGKSA-N 1 0 246.354 3.212 10 0 BGAERO CCn1cccc1C[NH2+][C@H](C)CCc1ccco1 ZINC000091023014 172209870 /nfs/dbraw/zinc/20/98/70/172209870.db2.gz GSIMIHAXCSBNSB-CYBMUJFWSA-N 1 0 246.354 3.212 10 0 BGAERO CCn1cccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000091023186 172208721 /nfs/dbraw/zinc/20/87/21/172208721.db2.gz OZMGHBSXYLOKLA-CQSZACIVSA-N 1 0 244.338 3.268 10 0 BGAERO CCn1cccc1C[NH2+]Cc1ccc(Cl)cc1 ZINC000091023200 172207836 /nfs/dbraw/zinc/20/78/36/172207836.db2.gz SIABGFFAIYLPBH-UHFFFAOYSA-N 1 0 248.757 3.451 10 0 BGAERO CCn1cccc1C[NH2+][C@@H](C)c1ccc(C)o1 ZINC000091023822 172208613 /nfs/dbraw/zinc/20/86/13/172208613.db2.gz JQWKMHSEWQSWGU-LBPRGKRZSA-N 1 0 232.327 3.260 10 0 BGAERO CCn1cccc1C[NH2+][C@@H](C)Cc1cccs1 ZINC000091024062 172208759 /nfs/dbraw/zinc/20/87/59/172208759.db2.gz NSJYDTNZRNRPAG-LBPRGKRZSA-N 1 0 248.395 3.290 10 0 BGAERO CCn1cccc1C[NH2+][C@H](C)Cc1cccs1 ZINC000091024063 172209793 /nfs/dbraw/zinc/20/97/93/172209793.db2.gz NSJYDTNZRNRPAG-GFCCVEGCSA-N 1 0 248.395 3.290 10 0 BGAERO CCn1cccc1C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000091025219 172209667 /nfs/dbraw/zinc/20/96/67/172209667.db2.gz FYHKSTCRQULJLT-LBPRGKRZSA-N 1 0 244.338 3.064 10 0 BGAERO CCn1cccc1C[NH2+]Cc1ccccc1C ZINC000091025414 172208211 /nfs/dbraw/zinc/20/82/11/172208211.db2.gz DKDLHGXGFIBKFV-UHFFFAOYSA-N 1 0 228.339 3.106 10 0 BGAERO CCn1cccc1C[NH2+]Cc1cccc(Cl)c1 ZINC000091127683 172208017 /nfs/dbraw/zinc/20/80/17/172208017.db2.gz LPXFQKZISCWBPC-UHFFFAOYSA-N 1 0 248.757 3.451 10 0 BGAERO CC(C)[C@@H]([NH2+][C@H](C)CO)c1ccccc1Cl ZINC000091306207 360111408 /nfs/dbraw/zinc/11/14/08/360111408.db2.gz HIKZFVIZWVPATA-ZWNOBZJWSA-N 1 0 241.762 3.008 10 0 BGAERO CC(C)[C@H]([NH2+][C@H](C)CO)c1ccccc1Cl ZINC000091306209 360111747 /nfs/dbraw/zinc/11/17/47/360111747.db2.gz HIKZFVIZWVPATA-MFKMUULPSA-N 1 0 241.762 3.008 10 0 BGAERO COc1ccc([C@H]([NH2+][C@H]2C[C@H]2C)C(C)C)cc1 ZINC000091320123 491130643 /nfs/dbraw/zinc/13/06/43/491130643.db2.gz XPXQVAQBKSIJIZ-BYCMXARLSA-N 1 0 233.355 3.390 10 0 BGAERO COc1ccc([C@H]([NH2+][C@H]2C[C@@H]2C)C(C)C)cc1 ZINC000091320126 491130660 /nfs/dbraw/zinc/13/06/60/491130660.db2.gz XPXQVAQBKSIJIZ-TUKIKUTGSA-N 1 0 233.355 3.390 10 0 BGAERO COc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C)C(C)C)cc1 ZINC000091320128 491130659 /nfs/dbraw/zinc/13/06/59/491130659.db2.gz XPXQVAQBKSIJIZ-KCPJHIHWSA-N 1 0 233.355 3.390 10 0 BGAERO COc1ccc([C@H]([NH2+][C@@H]2C[C@@H]2C)C(C)C)cc1 ZINC000091320131 491130653 /nfs/dbraw/zinc/13/06/53/491130653.db2.gz XPXQVAQBKSIJIZ-NILFDRSVSA-N 1 0 233.355 3.390 10 0 BGAERO CC(C)[C@H]([NH2+][C@@H](C)CO)c1ccccc1Cl ZINC000091349074 360113907 /nfs/dbraw/zinc/11/39/07/360113907.db2.gz HIKZFVIZWVPATA-GWCFXTLKSA-N 1 0 241.762 3.008 10 0 BGAERO CC(C)[C@@H]([NH2+][C@@H](C)CO)c1ccccc1Cl ZINC000091349075 360113649 /nfs/dbraw/zinc/11/36/49/360113649.db2.gz HIKZFVIZWVPATA-GXFFZTMASA-N 1 0 241.762 3.008 10 0 BGAERO CCCc1noc([C@@H]2CC[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091355373 644624123 /nfs/dbraw/zinc/62/41/23/644624123.db2.gz DGJWMQNGRHUCGP-SRVKXCTJSA-N 1 0 249.358 3.005 10 0 BGAERO CCCc1noc([C@@H]2CC[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000091355375 644624556 /nfs/dbraw/zinc/62/45/56/644624556.db2.gz DGJWMQNGRHUCGP-WOPDTQHZSA-N 1 0 249.358 3.005 10 0 BGAERO Cc1cc(C)c([C@@H](C)[NH2+]CC2CC(O)C2)cc1C ZINC000091415535 388762921 /nfs/dbraw/zinc/76/29/21/388762921.db2.gz WJKQCEJTOHPYDE-WLYUNCDWSA-N 1 0 247.382 3.033 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+]CC2CC(O)C2)cc1C ZINC000091415536 325686523 /nfs/dbraw/zinc/68/65/23/325686523.db2.gz WJKQCEJTOHPYDE-NFOMZHRRSA-N 1 0 247.382 3.033 10 0 BGAERO CC(C)C[C@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000091415954 384569604 /nfs/dbraw/zinc/56/96/04/384569604.db2.gz PDJKWLSNPGPECQ-BCLQGDPASA-N 1 0 247.382 3.134 10 0 BGAERO CC(C)C[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000091415955 384570979 /nfs/dbraw/zinc/57/09/79/384570979.db2.gz PDJKWLSNPGPECQ-AVVWSFFYSA-N 1 0 247.382 3.134 10 0 BGAERO CCc1ccc([C@@H](CC)[NH2+]CC2CC(O)C2)cc1 ZINC000091426164 325686836 /nfs/dbraw/zinc/68/68/36/325686836.db2.gz TYEFOSOOJPFEQM-AVVWSFFYSA-N 1 0 247.382 3.061 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+]CC2CC(O)C2)cc1 ZINC000091426166 325686753 /nfs/dbraw/zinc/68/67/53/325686753.db2.gz TYEFOSOOJPFEQM-BCLQGDPASA-N 1 0 247.382 3.061 10 0 BGAERO CCCc1ccc([C@@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091426565 325686729 /nfs/dbraw/zinc/68/67/29/325686729.db2.gz JSOZDIHBYFKYLO-XEBKBJJBSA-N 1 0 247.382 3.061 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091426567 388763987 /nfs/dbraw/zinc/76/39/87/388763987.db2.gz JSOZDIHBYFKYLO-YGONEPDPSA-N 1 0 247.382 3.061 10 0 BGAERO C[C@]1(Cc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000091440485 386966616 /nfs/dbraw/zinc/96/66/16/386966616.db2.gz ZPHAWEAOUAXGGR-GFCCVEGCSA-N 1 0 243.272 3.390 10 0 BGAERO C[C@@]1(Cc2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000091440489 386966308 /nfs/dbraw/zinc/96/63/08/386966308.db2.gz ZPHAWEAOUAXGGR-LBPRGKRZSA-N 1 0 243.272 3.390 10 0 BGAERO C[C@]1(Cc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000091440574 398128395 /nfs/dbraw/zinc/12/83/95/398128395.db2.gz BSCKWEDXPRAWFU-GFCCVEGCSA-N 1 0 243.272 3.390 10 0 BGAERO C[C@@]1(Cc2cccc(C(F)(F)F)c2)CCC[NH2+]1 ZINC000091440578 398128626 /nfs/dbraw/zinc/12/86/26/398128626.db2.gz BSCKWEDXPRAWFU-LBPRGKRZSA-N 1 0 243.272 3.390 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])cc2C)c(C)c1 ZINC000091473449 488054748 /nfs/dbraw/zinc/05/47/48/488054748.db2.gz QBJDTEQQGOJFDM-UHFFFAOYSA-N 1 0 241.334 3.438 10 0 BGAERO Cc1cc(C[NH3+])ccc1-c1ccc2c(c1)CCO2 ZINC000091473611 488054570 /nfs/dbraw/zinc/05/45/70/488054570.db2.gz OVABBLSDRTVQJI-UHFFFAOYSA-N 1 0 239.318 3.056 10 0 BGAERO CC(C)c1ccc([C@@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091525762 384657945 /nfs/dbraw/zinc/65/79/45/384657945.db2.gz DKVKTBPOYHKRRS-VEAWUBTESA-N 1 0 247.382 3.232 10 0 BGAERO CC(C)c1ccc([C@H](C)[NH2+]CC2CC(O)C2)cc1 ZINC000091525763 322931454 /nfs/dbraw/zinc/93/14/54/322931454.db2.gz DKVKTBPOYHKRRS-FUJMWEONSA-N 1 0 247.382 3.232 10 0 BGAERO CCCC[C@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000091538778 488055504 /nfs/dbraw/zinc/05/55/04/488055504.db2.gz HDWROKCNRKANQN-BCLQGDPASA-N 1 0 247.382 3.278 10 0 BGAERO CCCC[C@@H]([NH2+]CC1CC(O)C1)c1ccccc1 ZINC000091538779 488055829 /nfs/dbraw/zinc/05/58/29/488055829.db2.gz HDWROKCNRKANQN-AVVWSFFYSA-N 1 0 247.382 3.278 10 0 BGAERO CC(C)c1nn(C)cc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000091543501 538594917 /nfs/dbraw/zinc/59/49/17/538594917.db2.gz XHBWIBGKELHIAL-LLVKDONJSA-N 1 0 243.354 3.230 10 0 BGAERO CC(C)c1nn(C)cc1-c1ccc([C@H](C)[NH3+])cc1 ZINC000091543502 538595010 /nfs/dbraw/zinc/59/50/10/538595010.db2.gz XHBWIBGKELHIAL-NSHDSACASA-N 1 0 243.354 3.230 10 0 BGAERO CC(C)([C@H](N)c1ccccc1)[NH+]1CCCCCC1 ZINC000091567899 369015521 /nfs/dbraw/zinc/01/55/21/369015521.db2.gz PUKACCHKFMGGBP-OAHLLOKOSA-N 1 0 246.398 3.341 10 0 BGAERO CC(C)([C@@H](N)c1ccccc1)[NH+]1CCCCCC1 ZINC000091567900 369015267 /nfs/dbraw/zinc/01/52/67/369015267.db2.gz PUKACCHKFMGGBP-HNNXBMFYSA-N 1 0 246.398 3.341 10 0 BGAERO CCC(CC)([C@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000091634832 369014959 /nfs/dbraw/zinc/01/49/59/369014959.db2.gz LOFCMEYHPUVPAX-OAHLLOKOSA-N 1 0 246.398 3.341 10 0 BGAERO CCC(CC)([C@@H](N)c1ccccc1)[NH+]1CCCC1 ZINC000091634833 369015383 /nfs/dbraw/zinc/01/53/83/369015383.db2.gz LOFCMEYHPUVPAX-HNNXBMFYSA-N 1 0 246.398 3.341 10 0 BGAERO CC[NH+](CC)C1([C@H](N)c2ccccc2)CCCC1 ZINC000091639192 369015415 /nfs/dbraw/zinc/01/54/15/369015415.db2.gz CTXPSIFAGOKTRD-OAHLLOKOSA-N 1 0 246.398 3.341 10 0 BGAERO CC[NH+](CC)C1([C@@H](N)c2ccccc2)CCCC1 ZINC000091639193 369015289 /nfs/dbraw/zinc/01/52/89/369015289.db2.gz CTXPSIFAGOKTRD-HNNXBMFYSA-N 1 0 246.398 3.341 10 0 BGAERO O=C(c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640068 369015108 /nfs/dbraw/zinc/01/51/08/369015108.db2.gz JPZMRNTZBUEUBB-UHFFFAOYSA-N 1 0 243.350 3.278 10 0 BGAERO O[C@@H](c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640124 369015505 /nfs/dbraw/zinc/01/55/05/369015505.db2.gz UXXMWGUOPQVHCK-HNNXBMFYSA-N 1 0 245.366 3.129 10 0 BGAERO O[C@H](c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640125 369015020 /nfs/dbraw/zinc/01/50/20/369015020.db2.gz UXXMWGUOPQVHCK-OAHLLOKOSA-N 1 0 245.366 3.129 10 0 BGAERO N[C@@H](c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640618 369015345 /nfs/dbraw/zinc/01/53/45/369015345.db2.gz UFQGPTLNANEXNU-HNNXBMFYSA-N 1 0 244.382 3.095 10 0 BGAERO N[C@H](c1ccccc1)C1([NH+]2CCCC2)CCCC1 ZINC000091640619 369015313 /nfs/dbraw/zinc/01/53/13/369015313.db2.gz UFQGPTLNANEXNU-OAHLLOKOSA-N 1 0 244.382 3.095 10 0 BGAERO CCC(CC)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000091743747 168393145 /nfs/dbraw/zinc/39/31/45/168393145.db2.gz SZFNHIIPOQLKES-CYBMUJFWSA-N 1 0 241.762 3.152 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000091743773 360126930 /nfs/dbraw/zinc/12/69/30/360126930.db2.gz QWUCFDBBQPOHSL-ZWNOBZJWSA-N 1 0 241.762 3.008 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000091743775 360127174 /nfs/dbraw/zinc/12/71/74/360127174.db2.gz QWUCFDBBQPOHSL-GXFFZTMASA-N 1 0 241.762 3.008 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]1C)CCC2 ZINC000092383948 360166191 /nfs/dbraw/zinc/16/61/91/360166191.db2.gz MDOATXVGIWKFGA-KMUNFCNLSA-N 1 0 231.339 3.071 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]1C)CCC2 ZINC000092383949 360166113 /nfs/dbraw/zinc/16/61/13/360166113.db2.gz MDOATXVGIWKFGA-VQISRLSMSA-N 1 0 231.339 3.071 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C)CCC2 ZINC000092383950 360165590 /nfs/dbraw/zinc/16/55/90/360165590.db2.gz MDOATXVGIWKFGA-VCTAVGKDSA-N 1 0 231.339 3.071 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]1C)CCC2 ZINC000092383951 360165844 /nfs/dbraw/zinc/16/58/44/360165844.db2.gz MDOATXVGIWKFGA-COLVAYQJSA-N 1 0 231.339 3.071 10 0 BGAERO CC1CCC(C[N@@H+]2CCC[C@@H]2CCCO)CC1 ZINC000092785463 344873932 /nfs/dbraw/zinc/87/39/32/344873932.db2.gz HHVZTDKMGPXKEA-YMAMQOFZSA-N 1 0 239.403 3.050 10 0 BGAERO CC1CCC(C[N@@H+]2CCC[C@H]2CCCO)CC1 ZINC000092785464 384150543 /nfs/dbraw/zinc/15/05/43/384150543.db2.gz HHVZTDKMGPXKEA-NRXISQOPSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@@H]2CCCO)C1 ZINC000092795735 345643948 /nfs/dbraw/zinc/64/39/48/345643948.db2.gz JYECTQFBZMGUMB-QLFBSQMISA-N 1 0 239.403 3.050 10 0 BGAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@@H]2CCCO)C1 ZINC000092795737 345643805 /nfs/dbraw/zinc/64/38/05/345643805.db2.gz JYECTQFBZMGUMB-RBSFLKMASA-N 1 0 239.403 3.050 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000092835681 360202217 /nfs/dbraw/zinc/20/22/17/360202217.db2.gz WRBHNECCQSJZGV-IAQYHMDHSA-N 1 0 233.355 3.317 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000092835682 360202654 /nfs/dbraw/zinc/20/26/54/360202654.db2.gz WRBHNECCQSJZGV-XHDPSFHLSA-N 1 0 233.355 3.317 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000092835683 360201949 /nfs/dbraw/zinc/20/19/49/360201949.db2.gz WRBHNECCQSJZGV-ABAIWWIYSA-N 1 0 233.355 3.317 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000092835684 360201868 /nfs/dbraw/zinc/20/18/68/360201868.db2.gz WRBHNECCQSJZGV-NHYWBVRUSA-N 1 0 233.355 3.317 10 0 BGAERO CC[C@@H](C)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000093114777 170708959 /nfs/dbraw/zinc/70/89/59/170708959.db2.gz OTDVWCINXPYFKQ-ZWNOBZJWSA-N 1 0 241.762 3.009 10 0 BGAERO CC[C@H](C)C[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000093114779 171287905 /nfs/dbraw/zinc/28/79/05/171287905.db2.gz OTDVWCINXPYFKQ-GXFFZTMASA-N 1 0 241.762 3.009 10 0 BGAERO Cc1cccnc1C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000093174519 179373133 /nfs/dbraw/zinc/37/31/33/179373133.db2.gz XTNVUUBJFQRQIB-CQSZACIVSA-N 1 0 242.322 3.320 10 0 BGAERO Cc1cccnc1C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000093174521 179375143 /nfs/dbraw/zinc/37/51/43/179375143.db2.gz XTNVUUBJFQRQIB-AWEZNQCLSA-N 1 0 242.322 3.320 10 0 BGAERO CC[C@@H](C)C[N@H+](CC)C[C@](C)(O)c1ccccc1 ZINC000093252100 634490191 /nfs/dbraw/zinc/49/01/91/634490191.db2.gz MISNNZAJOGRBEA-ZBFHGGJFSA-N 1 0 249.398 3.262 10 0 BGAERO CC[C@H](C)C[N@H+](CC)C[C@](C)(O)c1ccccc1 ZINC000093252101 634491570 /nfs/dbraw/zinc/49/15/70/634491570.db2.gz MISNNZAJOGRBEA-HOCLYGCPSA-N 1 0 249.398 3.262 10 0 BGAERO c1coc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000093325199 360230515 /nfs/dbraw/zinc/23/05/15/360230515.db2.gz DXVVJTVUKBVFBW-GFCCVEGCSA-N 1 0 217.268 3.210 10 0 BGAERO c1coc(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000093325200 360231155 /nfs/dbraw/zinc/23/11/55/360231155.db2.gz DXVVJTVUKBVFBW-LBPRGKRZSA-N 1 0 217.268 3.210 10 0 BGAERO Oc1cccc(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000093335330 135592353 /nfs/dbraw/zinc/59/23/53/135592353.db2.gz NCTRYLWKGWTWGR-AWEZNQCLSA-N 1 0 243.306 3.322 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1nc2c(s1)CCCC2 ZINC000093405100 256636481 /nfs/dbraw/zinc/63/64/81/256636481.db2.gz RKLNUPWCWWRUQV-YWVKMMECSA-N 1 0 236.384 3.081 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000093405101 386201168 /nfs/dbraw/zinc/20/11/68/386201168.db2.gz RKLNUPWCWWRUQV-QXEWZRGKSA-N 1 0 236.384 3.081 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1nc2c(s1)CCCC2 ZINC000093405102 256636474 /nfs/dbraw/zinc/63/64/74/256636474.db2.gz RKLNUPWCWWRUQV-WCABBAIRSA-N 1 0 236.384 3.081 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1nc2c(s1)CCCC2 ZINC000093405103 386201302 /nfs/dbraw/zinc/20/13/02/386201302.db2.gz RKLNUPWCWWRUQV-ATZCPNFKSA-N 1 0 236.384 3.081 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(C)ccc1OC ZINC000093405104 360241574 /nfs/dbraw/zinc/24/15/74/360241574.db2.gz MMQBATDCMGKUDL-FPMFFAJLSA-N 1 0 233.355 3.453 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(C)ccc1OC ZINC000093405106 517828256 /nfs/dbraw/zinc/82/82/56/517828256.db2.gz MMQBATDCMGKUDL-UBHSHLNASA-N 1 0 233.355 3.453 10 0 BGAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 ZINC000093437970 188145853 /nfs/dbraw/zinc/14/58/53/188145853.db2.gz HQRCRZYUYWUXJF-ZFWWWQNUSA-N 1 0 245.370 3.293 10 0 BGAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1C[C@H]1CC=CCC1 ZINC000093437971 384239475 /nfs/dbraw/zinc/23/94/75/384239475.db2.gz HQRCRZYUYWUXJF-DZGCQCFKSA-N 1 0 245.370 3.293 10 0 BGAERO c1csc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)c1 ZINC000093438051 384239280 /nfs/dbraw/zinc/23/92/80/384239280.db2.gz UPWQYGDRDKIZMH-CYBMUJFWSA-N 1 0 247.367 3.198 10 0 BGAERO c1csc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)c1 ZINC000093438052 384239539 /nfs/dbraw/zinc/23/95/39/384239539.db2.gz UPWQYGDRDKIZMH-ZDUSSCGKSA-N 1 0 247.367 3.198 10 0 BGAERO Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)o1 ZINC000093438055 384238491 /nfs/dbraw/zinc/23/84/91/384238491.db2.gz CCYTWILOZAWOBU-CQSZACIVSA-N 1 0 245.326 3.038 10 0 BGAERO Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)o1 ZINC000093438056 384237780 /nfs/dbraw/zinc/23/77/80/384237780.db2.gz CCYTWILOZAWOBU-AWEZNQCLSA-N 1 0 245.326 3.038 10 0 BGAERO c1cc(C[N@@H+]2CCCC[C@@H]2c2cn[nH]c2)cs1 ZINC000093438475 183340405 /nfs/dbraw/zinc/34/04/05/183340405.db2.gz VIKMQVDSZSKEKA-CYBMUJFWSA-N 1 0 247.367 3.198 10 0 BGAERO c1cc(C[N@@H+]2CCCC[C@H]2c2cn[nH]c2)cs1 ZINC000093438476 183342875 /nfs/dbraw/zinc/34/28/75/183342875.db2.gz VIKMQVDSZSKEKA-ZDUSSCGKSA-N 1 0 247.367 3.198 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000093462586 179339981 /nfs/dbraw/zinc/33/99/81/179339981.db2.gz SZAFMUZBITZMKA-ILXRZTDVSA-N 1 0 246.398 3.176 10 0 BGAERO CC[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000093516034 386836962 /nfs/dbraw/zinc/83/69/62/386836962.db2.gz MEVANHWKROMFSR-ILXRZTDVSA-N 1 0 240.435 3.321 10 0 BGAERO CCCC[C@@H](CC)C[NH2+]Cc1cnn(C)c1C ZINC000093649279 360266638 /nfs/dbraw/zinc/26/66/38/360266638.db2.gz AIIZRDWQYCZOFU-CYBMUJFWSA-N 1 0 237.391 3.035 10 0 BGAERO CCCC[C@H](CC)C[NH2+]Cc1cnn(C)c1C ZINC000093649280 360266236 /nfs/dbraw/zinc/26/62/36/360266236.db2.gz AIIZRDWQYCZOFU-ZDUSSCGKSA-N 1 0 237.391 3.035 10 0 BGAERO CCCCCC[C@@H](C)[NH2+]Cc1cnn(C)c1C ZINC000093649929 631570142 /nfs/dbraw/zinc/57/01/42/631570142.db2.gz NUVKKDASEPFRDW-GFCCVEGCSA-N 1 0 237.391 3.177 10 0 BGAERO CCCCCC[C@H](C)[NH2+]Cc1cnn(C)c1C ZINC000093649930 631570204 /nfs/dbraw/zinc/57/02/04/631570204.db2.gz NUVKKDASEPFRDW-LBPRGKRZSA-N 1 0 237.391 3.177 10 0 BGAERO CCC1CCC(C[NH2+]Cc2cnn(C)c2C)CC1 ZINC000093650101 360266425 /nfs/dbraw/zinc/26/64/25/360266425.db2.gz YQIXLIAOEASFJN-UHFFFAOYSA-N 1 0 249.402 3.035 10 0 BGAERO Cc1c(C[NH2+]CC[C@@H]2CCC[C@H](C)C2)cnn1C ZINC000093650304 360267478 /nfs/dbraw/zinc/26/74/78/360267478.db2.gz NVPUGSYARVGDQX-JSGCOSHPSA-N 1 0 249.402 3.035 10 0 BGAERO Cc1c(C[NH2+]CC[C@H]2CCC[C@H](C)C2)cnn1C ZINC000093650305 360268424 /nfs/dbraw/zinc/26/84/24/360268424.db2.gz NVPUGSYARVGDQX-GXTWGEPZSA-N 1 0 249.402 3.035 10 0 BGAERO Cc1c(C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)cnn1C ZINC000093650306 360267450 /nfs/dbraw/zinc/26/74/50/360267450.db2.gz NVPUGSYARVGDQX-OCCSQVGLSA-N 1 0 249.402 3.035 10 0 BGAERO Cc1c(C[NH2+]CC[C@H]2CCC[C@@H](C)C2)cnn1C ZINC000093650307 360267721 /nfs/dbraw/zinc/26/77/21/360267721.db2.gz NVPUGSYARVGDQX-TZMCWYRMSA-N 1 0 249.402 3.035 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093941473 537814809 /nfs/dbraw/zinc/81/48/09/537814809.db2.gz UKVRNPNSBDPZCH-OLZOCXBDSA-N 1 0 234.387 3.448 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccccc1N(C)C ZINC000093941474 537814912 /nfs/dbraw/zinc/81/49/12/537814912.db2.gz UKVRNPNSBDPZCH-STQMWFEESA-N 1 0 234.387 3.448 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093941475 537814904 /nfs/dbraw/zinc/81/49/04/537814904.db2.gz UKVRNPNSBDPZCH-CHWSQXEVSA-N 1 0 234.387 3.448 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccccc1N(C)C ZINC000093941476 537814898 /nfs/dbraw/zinc/81/48/98/537814898.db2.gz UKVRNPNSBDPZCH-QWHCGFSZSA-N 1 0 234.387 3.448 10 0 BGAERO Cc1c[nH+]ccc1N[C@@H]1CCc2cc(N)ccc21 ZINC000094092872 344326090 /nfs/dbraw/zinc/32/60/90/344326090.db2.gz VNIOPBUEHASTIO-OAHLLOKOSA-N 1 0 239.322 3.072 10 0 BGAERO Cc1c[nH+]ccc1N[C@H]1CCc2cc(N)ccc21 ZINC000094092874 344325955 /nfs/dbraw/zinc/32/59/55/344325955.db2.gz VNIOPBUEHASTIO-HNNXBMFYSA-N 1 0 239.322 3.072 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000094279026 384984638 /nfs/dbraw/zinc/98/46/38/384984638.db2.gz QJVUCLDFRJFSLL-UONOGXRCSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@@H]2CCCCC2(C)C)C1 ZINC000094279027 384984257 /nfs/dbraw/zinc/98/42/57/384984257.db2.gz QJVUCLDFRJFSLL-ZIAGYGMSSA-N 1 0 238.419 3.029 10 0 BGAERO c1ccc(C2CC2)c(C[NH2+]CC[C@@H]2CCCO2)c1 ZINC000094357668 537838700 /nfs/dbraw/zinc/83/87/00/537838700.db2.gz MJFMPYBTJTWFLF-HNNXBMFYSA-N 1 0 245.366 3.223 10 0 BGAERO C[C@H]([NH2+]Cc1ccccc1C1CC1)[C@@H]1CCCO1 ZINC000094357689 537837984 /nfs/dbraw/zinc/83/79/84/537837984.db2.gz HUDVNJHJPLFCBL-LRDDRELGSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@@H]([NH2+]Cc1ccccc1C1CC1)[C@@H]1CCCO1 ZINC000094357690 537838883 /nfs/dbraw/zinc/83/88/83/537838883.db2.gz HUDVNJHJPLFCBL-WBMJQRKESA-N 1 0 245.366 3.221 10 0 BGAERO C[C@H]([NH2+]Cc1ccccc1C1CC1)[C@H]1CCCO1 ZINC000094357691 537838649 /nfs/dbraw/zinc/83/86/49/537838649.db2.gz HUDVNJHJPLFCBL-BLLLJJGKSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@@H]([NH2+]Cc1ccccc1C1CC1)[C@H]1CCCO1 ZINC000094357692 537838927 /nfs/dbraw/zinc/83/89/27/537838927.db2.gz HUDVNJHJPLFCBL-MLGOLLRUSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)[C@@H]1CCCO1 ZINC000094518195 360310295 /nfs/dbraw/zinc/31/02/95/360310295.db2.gz ILLWVVKOIFTUSG-LRDDRELGSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)[C@@H]1CCCO1 ZINC000094518196 360310583 /nfs/dbraw/zinc/31/05/83/360310583.db2.gz ILLWVVKOIFTUSG-WBMJQRKESA-N 1 0 245.366 3.221 10 0 BGAERO C[C@H]([NH2+]Cc1cccc(C2CC2)c1)[C@H]1CCCO1 ZINC000094518197 360310052 /nfs/dbraw/zinc/31/00/52/360310052.db2.gz ILLWVVKOIFTUSG-BLLLJJGKSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@@H]([NH2+]Cc1cccc(C2CC2)c1)[C@H]1CCCO1 ZINC000094518198 360309956 /nfs/dbraw/zinc/30/99/56/360309956.db2.gz ILLWVVKOIFTUSG-MLGOLLRUSA-N 1 0 245.366 3.221 10 0 BGAERO c1cc(C[NH2+]CC[C@@H]2CCCO2)cc(C2CC2)c1 ZINC000094519290 487537803 /nfs/dbraw/zinc/53/78/03/487537803.db2.gz HVUMPZISNZJOLA-INIZCTEOSA-N 1 0 245.366 3.223 10 0 BGAERO c1cc(C2CC2)ccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000094519292 487538215 /nfs/dbraw/zinc/53/82/15/487538215.db2.gz MMLQMQSIFJUUBX-INIZCTEOSA-N 1 0 245.366 3.223 10 0 BGAERO CC(C)(C)C[C@H]([NH2+]C1COC1)c1ccccc1 ZINC000094710132 534642453 /nfs/dbraw/zinc/64/24/53/534642453.db2.gz QHHORRFDAFISLO-AWEZNQCLSA-N 1 0 233.355 3.152 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC1(C)COC1 ZINC000094721823 386954260 /nfs/dbraw/zinc/95/42/60/386954260.db2.gz SAMABGGNHNMBJJ-HZSPNIEDSA-N 1 0 239.403 3.073 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCCO2)CC(C)(C)C1 ZINC000094798377 360319731 /nfs/dbraw/zinc/31/97/31/360319731.db2.gz JBOXHONTZCPXDD-IPYPFGDCSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCCO2)CC(C)(C)C1 ZINC000094798379 360319722 /nfs/dbraw/zinc/31/97/22/360319722.db2.gz JBOXHONTZCPXDD-NFAWXSAZSA-N 1 0 239.403 3.360 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccccn2)cc1F ZINC000094836578 360322711 /nfs/dbraw/zinc/32/27/11/360322711.db2.gz TUUZAUVJDBJLFV-LBPRGKRZSA-N 1 0 244.313 3.380 10 0 BGAERO C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000094942267 386969698 /nfs/dbraw/zinc/96/96/98/386969698.db2.gz ULJGKCQALJBQDQ-HZSPNIEDSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H](CCCO)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000094942269 386969974 /nfs/dbraw/zinc/96/99/74/386969974.db2.gz ULJGKCQALJBQDQ-RDBSUJKOSA-N 1 0 241.419 3.342 10 0 BGAERO Cc1cc2ccccc2nc1N[C@@H](C)CCC[NH3+] ZINC000094948106 343154459 /nfs/dbraw/zinc/15/44/59/343154459.db2.gz OOCQDEPMTXNCOZ-LBPRGKRZSA-N 1 0 243.354 3.083 10 0 BGAERO Cc1cc2ccccc2nc1N[C@H](C)CCC[NH3+] ZINC000094948107 343154461 /nfs/dbraw/zinc/15/44/61/343154461.db2.gz OOCQDEPMTXNCOZ-GFCCVEGCSA-N 1 0 243.354 3.083 10 0 BGAERO CC[C@H](CCO)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000094949746 256641099 /nfs/dbraw/zinc/64/10/99/256641099.db2.gz ORQGUBPWKJPXNZ-BFHYXJOUSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](CCO)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000094949748 256641084 /nfs/dbraw/zinc/64/10/84/256641084.db2.gz ORQGUBPWKJPXNZ-MJBXVCDLSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](OCC[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000095068572 177021109 /nfs/dbraw/zinc/02/11/09/177021109.db2.gz URLXGQJKUVGMOG-RYUDHWBXSA-N 1 0 239.384 3.358 10 0 BGAERO C[C@@H](OCC[C@@H]1CCCC[NH2+]1)c1cccs1 ZINC000095068573 176002668 /nfs/dbraw/zinc/00/26/68/176002668.db2.gz URLXGQJKUVGMOG-NEPJUHHUSA-N 1 0 239.384 3.358 10 0 BGAERO C[C@H](OCC[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000095068574 177020996 /nfs/dbraw/zinc/02/09/96/177020996.db2.gz URLXGQJKUVGMOG-NWDGAFQWSA-N 1 0 239.384 3.358 10 0 BGAERO C[C@@H](OCC[C@H]1CCCC[NH2+]1)c1cccs1 ZINC000095068575 176002154 /nfs/dbraw/zinc/00/21/54/176002154.db2.gz URLXGQJKUVGMOG-VXGBXAGGSA-N 1 0 239.384 3.358 10 0 BGAERO C[C@H](OCC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000095068596 177021188 /nfs/dbraw/zinc/02/11/88/177021188.db2.gz ARTJHHMEJSHOKL-RYUDHWBXSA-N 1 0 239.384 3.215 10 0 BGAERO C[C@@H](OCC[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000095068597 176002179 /nfs/dbraw/zinc/00/21/79/176002179.db2.gz ARTJHHMEJSHOKL-NEPJUHHUSA-N 1 0 239.384 3.215 10 0 BGAERO C[C@H](OCC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000095068598 177021056 /nfs/dbraw/zinc/02/10/56/177021056.db2.gz ARTJHHMEJSHOKL-NWDGAFQWSA-N 1 0 239.384 3.215 10 0 BGAERO C[C@@H](OCC[C@H]1CCC[NH2+]C1)c1cccs1 ZINC000095068599 176002717 /nfs/dbraw/zinc/00/27/17/176002717.db2.gz ARTJHHMEJSHOKL-VXGBXAGGSA-N 1 0 239.384 3.215 10 0 BGAERO C[C@H](OCCC1CC[NH2+]CC1)c1cccs1 ZINC000095068616 177021052 /nfs/dbraw/zinc/02/10/52/177021052.db2.gz SBMRDKRLNWXFAL-NSHDSACASA-N 1 0 239.384 3.215 10 0 BGAERO C[C@@H](OCCC1CC[NH2+]CC1)c1cccs1 ZINC000095068617 176002229 /nfs/dbraw/zinc/00/22/29/176002229.db2.gz SBMRDKRLNWXFAL-LLVKDONJSA-N 1 0 239.384 3.215 10 0 BGAERO C[C@H](OCCC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068624 177020882 /nfs/dbraw/zinc/02/08/82/177020882.db2.gz VIYWOIMQLQSUDC-STQMWFEESA-N 1 0 236.359 3.015 10 0 BGAERO C[C@@H](OCCC[C@@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068625 176002514 /nfs/dbraw/zinc/00/25/14/176002514.db2.gz VIYWOIMQLQSUDC-OLZOCXBDSA-N 1 0 236.359 3.015 10 0 BGAERO C[C@H](OCCC[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068626 177020889 /nfs/dbraw/zinc/02/08/89/177020889.db2.gz VIYWOIMQLQSUDC-QWHCGFSZSA-N 1 0 236.359 3.015 10 0 BGAERO C[C@@H](OCCC[C@H]1CCCC[NH2+]1)c1ccc[nH]1 ZINC000095068627 176002536 /nfs/dbraw/zinc/00/25/36/176002536.db2.gz VIYWOIMQLQSUDC-CHWSQXEVSA-N 1 0 236.359 3.015 10 0 BGAERO C[C@H](OCCC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000095068628 177021282 /nfs/dbraw/zinc/02/12/82/177021282.db2.gz KRAICVKTWPRUDW-STQMWFEESA-N 1 0 237.343 3.280 10 0 BGAERO C[C@@H](OCCC[C@@H]1CCCC[NH2+]1)c1ccco1 ZINC000095068629 176002153 /nfs/dbraw/zinc/00/21/53/176002153.db2.gz KRAICVKTWPRUDW-OLZOCXBDSA-N 1 0 237.343 3.280 10 0 BGAERO C[C@H](OCCC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000095068630 177021173 /nfs/dbraw/zinc/02/11/73/177021173.db2.gz KRAICVKTWPRUDW-QWHCGFSZSA-N 1 0 237.343 3.280 10 0 BGAERO C[C@@H](OCCC[C@H]1CCCC[NH2+]1)c1ccco1 ZINC000095068631 176002182 /nfs/dbraw/zinc/00/21/82/176002182.db2.gz KRAICVKTWPRUDW-CHWSQXEVSA-N 1 0 237.343 3.280 10 0 BGAERO C[C@H](OCCC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095068636 177021311 /nfs/dbraw/zinc/02/13/11/177021311.db2.gz CJRMLLIHKMKERL-KBPBESRZSA-N 1 0 248.370 3.082 10 0 BGAERO C[C@@H](OCCC[C@@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095068637 176002716 /nfs/dbraw/zinc/00/27/16/176002716.db2.gz CJRMLLIHKMKERL-KGLIPLIRSA-N 1 0 248.370 3.082 10 0 BGAERO C[C@H](OCCC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095068638 177021134 /nfs/dbraw/zinc/02/11/34/177021134.db2.gz CJRMLLIHKMKERL-UONOGXRCSA-N 1 0 248.370 3.082 10 0 BGAERO C[C@@H](OCCC[C@H]1CCCC[NH2+]1)c1ccccn1 ZINC000095068639 176002137 /nfs/dbraw/zinc/00/21/37/176002137.db2.gz CJRMLLIHKMKERL-ZIAGYGMSSA-N 1 0 248.370 3.082 10 0 BGAERO C[C@H](OCCC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095068652 177021217 /nfs/dbraw/zinc/02/12/17/177021217.db2.gz VFSNIULWGQIZND-STQMWFEESA-N 1 0 237.343 3.137 10 0 BGAERO C[C@@H](OCCC[C@@H]1CCC[NH2+]C1)c1ccco1 ZINC000095068653 176002159 /nfs/dbraw/zinc/00/21/59/176002159.db2.gz VFSNIULWGQIZND-OLZOCXBDSA-N 1 0 237.343 3.137 10 0 BGAERO C[C@H](OCCC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000095068654 177021273 /nfs/dbraw/zinc/02/12/73/177021273.db2.gz VFSNIULWGQIZND-QWHCGFSZSA-N 1 0 237.343 3.137 10 0 BGAERO C[C@@H](OCCC[C@H]1CCC[NH2+]C1)c1ccco1 ZINC000095068655 176002368 /nfs/dbraw/zinc/00/23/68/176002368.db2.gz VFSNIULWGQIZND-CHWSQXEVSA-N 1 0 237.343 3.137 10 0 BGAERO C[C@H](OCCCC1CC[NH2+]CC1)c1ccco1 ZINC000095068674 525901538 /nfs/dbraw/zinc/90/15/38/525901538.db2.gz OBPUALZTAYQABJ-LBPRGKRZSA-N 1 0 237.343 3.137 10 0 BGAERO C[C@@H](OCCCC1CC[NH2+]CC1)c1ccco1 ZINC000095068675 525902007 /nfs/dbraw/zinc/90/20/07/525902007.db2.gz OBPUALZTAYQABJ-GFCCVEGCSA-N 1 0 237.343 3.137 10 0 BGAERO C/C=C(\c1cccc(OC)c1)[C@@H](C)C[NH+](C)C ZINC000095079972 191053940 /nfs/dbraw/zinc/05/39/40/191053940.db2.gz JHKJGWJFBYPMCY-CJTQKWKHSA-N 1 0 233.355 3.296 10 0 BGAERO CC(C)c1ncc([C@@H](C)[NH2+]C2CC2)s1 ZINC000095088035 384361352 /nfs/dbraw/zinc/36/13/52/384361352.db2.gz YCZJEIGMCBSBRV-MRVPVSSYSA-N 1 0 210.346 3.080 10 0 BGAERO CC(C)c1ncc([C@H](C)[NH2+]C2CC2)s1 ZINC000095088036 384359883 /nfs/dbraw/zinc/35/98/83/384359883.db2.gz YCZJEIGMCBSBRV-QMMMGPOBSA-N 1 0 210.346 3.080 10 0 BGAERO CC(C)[NH2+][C@H](C)c1cnc(C(C)C)s1 ZINC000095088277 167138150 /nfs/dbraw/zinc/13/81/50/167138150.db2.gz PZEZIBXLTYCVAS-SECBINFHSA-N 1 0 212.362 3.326 10 0 BGAERO CC(C)[NH2+][C@@H](C)c1cnc(C(C)C)s1 ZINC000095088278 167131413 /nfs/dbraw/zinc/13/14/13/167131413.db2.gz PZEZIBXLTYCVAS-VIFPVBQESA-N 1 0 212.362 3.326 10 0 BGAERO CC(C)[NH2+][C@]1(C)CCCN(Cc2ccccc2)C1 ZINC000095088373 167141618 /nfs/dbraw/zinc/14/16/18/167141618.db2.gz KFUDCLOABVGPLS-MRXNPFEDSA-N 1 0 246.398 3.039 10 0 BGAERO CC(C)[NH2+]C1(C)CCN(Cc2ccccc2)CC1 ZINC000095088377 167092647 /nfs/dbraw/zinc/09/26/47/167092647.db2.gz KRNSVWLCJIMEOI-UHFFFAOYSA-N 1 0 246.398 3.039 10 0 BGAERO C[C@]1(Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC000095089631 384361412 /nfs/dbraw/zinc/36/14/12/384361412.db2.gz XCNCHTVXOMFOKN-ZDUSSCGKSA-N 1 0 223.747 3.280 10 0 BGAERO C[C@@]1(Cl)CCC[N@H+](Cc2ccccc2)C1 ZINC000095089632 176534877 /nfs/dbraw/zinc/53/48/77/176534877.db2.gz XCNCHTVXOMFOKN-CYBMUJFWSA-N 1 0 223.747 3.280 10 0 BGAERO C(=C/[C@@H]1CCCCC[NH2+]1)\c1cccs1 ZINC000095348133 166226289 /nfs/dbraw/zinc/22/62/89/166226289.db2.gz XTLXNAKRNJSIHK-AEZGRPFRSA-N 1 0 207.342 3.294 10 0 BGAERO C(=C/[C@H]1CCCCC[NH2+]1)\c1cccs1 ZINC000095348134 166226672 /nfs/dbraw/zinc/22/66/72/166226672.db2.gz XTLXNAKRNJSIHK-WSKFYRRCSA-N 1 0 207.342 3.294 10 0 BGAERO CC(C)c1cccc(C(C)C)c1CC1=[NH+]CCN1 ZINC000095558479 384911704 /nfs/dbraw/zinc/91/17/04/384911704.db2.gz DKKUTAXDUDGAMK-UHFFFAOYSA-N 1 0 244.382 3.478 10 0 BGAERO CC(C)C[NH+]1CCC2(CNc3ccccc32)CC1 ZINC000095616803 166966371 /nfs/dbraw/zinc/96/63/71/166966371.db2.gz NMGRTDHYKHDLPJ-UHFFFAOYSA-N 1 0 244.382 3.102 10 0 BGAERO Cc1ccccc1[C@H](OCC[NH3+])c1ccccc1 ZINC000095618917 259454123 /nfs/dbraw/zinc/45/41/23/259454123.db2.gz BJVWYJOLTICWGB-MRXNPFEDSA-N 1 0 241.334 3.060 10 0 world BGAERO Cc1ccccc1[C@@H](OCC[NH3+])c1ccccc1 ZINC000095618918 259454100 /nfs/dbraw/zinc/45/41/00/259454100.db2.gz BJVWYJOLTICWGB-INIZCTEOSA-N 1 0 241.334 3.060 10 0 world BGAERO CC1(C)C[C@@H]([NH3+])c2ccc(F)c(Cl)c2O1 ZINC000095640711 346080061 /nfs/dbraw/zinc/08/00/61/346080061.db2.gz CGTPNUOWDUWKMW-MRVPVSSYSA-N 1 0 229.682 3.040 10 0 BGAERO [NH3+][C@H]1CCCc2cc(Cl)c(Cl)cc21 ZINC000095642287 181650008 /nfs/dbraw/zinc/65/00/08/181650008.db2.gz MWHCNDHYTRDREW-JTQLQIEISA-N 1 0 216.111 3.330 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000095659589 344355094 /nfs/dbraw/zinc/35/50/94/344355094.db2.gz CHMQAHDRYFMMFC-SNVBAGLBSA-N 1 0 233.233 3.241 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc(O)c2ccccc21 ZINC000095667474 641598886 /nfs/dbraw/zinc/59/88/86/641598886.db2.gz YPCQTXOLBNYUQU-CQSZACIVSA-N 1 0 215.296 3.201 10 0 BGAERO CC(C)[C@H]([NH3+])c1ccc(O)c2ccccc21 ZINC000095683918 644765268 /nfs/dbraw/zinc/76/52/68/644765268.db2.gz YPCQTXOLBNYUQU-AWEZNQCLSA-N 1 0 215.296 3.201 10 0 BGAERO Cc1cc(C(F)(F)F)ccc1[C@H](C)[NH3+] ZINC000095706112 346080558 /nfs/dbraw/zinc/08/05/58/346080558.db2.gz YIJDFZZSFSDZKG-ZETCQYMHSA-N 1 0 203.207 3.034 10 0 BGAERO Cc1cc(C(F)(F)F)ccc1[C@@H](C)[NH3+] ZINC000095715531 346080754 /nfs/dbraw/zinc/08/07/54/346080754.db2.gz YIJDFZZSFSDZKG-SSDOTTSWSA-N 1 0 203.207 3.034 10 0 BGAERO Cc1cc(OC2CC2)c(C(C)(C)C)c[nH+]1 ZINC000095723158 178208048 /nfs/dbraw/zinc/20/80/48/178208048.db2.gz DVKZYRRTEJQLQM-UHFFFAOYSA-N 1 0 205.301 3.229 10 0 BGAERO CCc1[nH+]ccc(OC2CC2)c1C(C)C ZINC000095723208 188147314 /nfs/dbraw/zinc/14/73/14/188147314.db2.gz RTROWHXQNBNLFD-UHFFFAOYSA-N 1 0 205.301 3.309 10 0 BGAERO Cc1cc(OC2CC2)cc(C(C)(C)C)[nH+]1 ZINC000095726232 178208544 /nfs/dbraw/zinc/20/85/44/178208544.db2.gz XVUBKPPUYNJYIG-UHFFFAOYSA-N 1 0 205.301 3.229 10 0 BGAERO Cc1[nH+]ccc(OC2CC2)c1C(C)(C)C ZINC000095726608 180207955 /nfs/dbraw/zinc/20/79/55/180207955.db2.gz FLJXCSPONNAOFW-UHFFFAOYSA-N 1 0 205.301 3.229 10 0 BGAERO Cc1cc(F)ccc1O[C@@H](C[NH3+])c1ccccc1 ZINC000095751206 178090925 /nfs/dbraw/zinc/09/09/25/178090925.db2.gz SHAWOWDINYLFRI-HNNXBMFYSA-N 1 0 245.297 3.213 10 0 BGAERO Cc1cc(F)ccc1O[C@H](C[NH3+])c1ccccc1 ZINC000095751209 178090717 /nfs/dbraw/zinc/09/07/17/178090717.db2.gz SHAWOWDINYLFRI-OAHLLOKOSA-N 1 0 245.297 3.213 10 0 BGAERO CCC[C@H]([NH3+])c1ccc(Br)cc1F ZINC000095760181 343154549 /nfs/dbraw/zinc/15/45/49/343154549.db2.gz WRFVIZQFEUHZBT-JTQLQIEISA-N 1 0 246.123 3.388 10 0 BGAERO [NH3+]C1(c2cc(Cl)cc(Cl)c2)CCC1 ZINC000095763502 181334051 /nfs/dbraw/zinc/33/40/51/181334051.db2.gz VXLZRGSPZUQQRQ-UHFFFAOYSA-N 1 0 216.111 3.331 10 0 BGAERO CCC[C@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000095765885 344356894 /nfs/dbraw/zinc/35/68/94/344356894.db2.gz CILFBTXXMREROS-JTQLQIEISA-N 1 0 233.233 3.385 10 0 BGAERO CCC[C@H]([NH3+])c1ccc(O)c2ccccc21 ZINC000095766193 644773930 /nfs/dbraw/zinc/77/39/30/644773930.db2.gz OPVXRIVPDCVXCE-ZDUSSCGKSA-N 1 0 215.296 3.345 10 0 BGAERO C[C@H]([NH3+])c1ccccc1SC(F)(F)F ZINC000095767337 388697526 /nfs/dbraw/zinc/69/75/26/388697526.db2.gz ISQRHPRLPFPEPG-LURJTMIESA-N 1 0 221.247 3.318 10 0 BGAERO Cc1cc([C@@H]([NH3+])C2CC2)c(O)c(C(C)(C)C)c1 ZINC000095770693 635491550 /nfs/dbraw/zinc/49/15/50/635491550.db2.gz FUMPVXYCMXFPSM-ZDUSSCGKSA-N 1 0 233.355 3.408 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc(OC(F)(F)F)cc1 ZINC000095778803 344356887 /nfs/dbraw/zinc/35/68/87/344356887.db2.gz CILFBTXXMREROS-SNVBAGLBSA-N 1 0 233.233 3.385 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc(O)c2ccccc21 ZINC000095778952 635490763 /nfs/dbraw/zinc/49/07/63/635490763.db2.gz OPVXRIVPDCVXCE-CYBMUJFWSA-N 1 0 215.296 3.345 10 0 BGAERO C[C@@H]([NH3+])c1ccccc1SC(F)(F)F ZINC000095779513 388697083 /nfs/dbraw/zinc/69/70/83/388697083.db2.gz ISQRHPRLPFPEPG-ZCFIWIBFSA-N 1 0 221.247 3.318 10 0 BGAERO Cc1cc([C@H]([NH3+])C2CC2)c(O)c(C(C)(C)C)c1 ZINC000095783222 643344481 /nfs/dbraw/zinc/34/44/81/643344481.db2.gz FUMPVXYCMXFPSM-CYBMUJFWSA-N 1 0 233.355 3.408 10 0 BGAERO C(=C\[C@@H]1CCCCC[NH2+]1)\c1cccs1 ZINC000095804003 166227796 /nfs/dbraw/zinc/22/77/96/166227796.db2.gz XTLXNAKRNJSIHK-TVRMLOFPSA-N 1 0 207.342 3.294 10 0 BGAERO C(=C\[C@H]1CCCCC[NH2+]1)\c1cccs1 ZINC000095804004 166228049 /nfs/dbraw/zinc/22/80/49/166228049.db2.gz XTLXNAKRNJSIHK-SKVAFPRGSA-N 1 0 207.342 3.294 10 0 BGAERO [NH3+]C1(c2cc(Cl)ccc2Br)CC1 ZINC000095831184 181333805 /nfs/dbraw/zinc/33/38/05/181333805.db2.gz ZQBCETQAIQDUTB-UHFFFAOYSA-N 1 0 246.535 3.050 10 0 BGAERO C[C@@H]1CCC[C@H](c2cc3ccccc3[nH]2)[NH2+]1 ZINC000095831276 176145932 /nfs/dbraw/zinc/14/59/32/176145932.db2.gz WMIGKVMCMBXPDB-ZWNOBZJWSA-N 1 0 214.312 3.371 10 0 BGAERO C[C@H]1CCC[C@H](c2cc3ccccc3[nH]2)[NH2+]1 ZINC000095831277 177138888 /nfs/dbraw/zinc/13/88/88/177138888.db2.gz WMIGKVMCMBXPDB-GXFFZTMASA-N 1 0 214.312 3.371 10 0 BGAERO C[C@@H]1CCC[C@@H](c2cc3ccccc3[nH]2)[NH2+]1 ZINC000095831278 176125258 /nfs/dbraw/zinc/12/52/58/176125258.db2.gz WMIGKVMCMBXPDB-MFKMUULPSA-N 1 0 214.312 3.371 10 0 BGAERO C[C@H]1CCC[C@@H](c2cc3ccccc3[nH]2)[NH2+]1 ZINC000095831279 177123614 /nfs/dbraw/zinc/12/36/14/177123614.db2.gz WMIGKVMCMBXPDB-GWCFXTLKSA-N 1 0 214.312 3.371 10 0 BGAERO CC[NH2+][C@H]1[C@@H](c2ccccc2)[C@@H]2CC[C@H]1C2 ZINC000095884214 170154989 /nfs/dbraw/zinc/15/49/89/170154989.db2.gz IKFBPFGUINLYQI-CBBWQLFWSA-N 1 0 215.340 3.178 10 0 BGAERO CC[NH2+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1c1ccccc1 ZINC000095884215 346076807 /nfs/dbraw/zinc/07/68/07/346076807.db2.gz IKFBPFGUINLYQI-YJNKXOJESA-N 1 0 215.340 3.178 10 0 BGAERO CC[C@@]1(C(N)=[NH2+])C=CC(c2ccccc2)=CC1 ZINC000095930515 171194628 /nfs/dbraw/zinc/19/46/28/171194628.db2.gz KRBFQCKGOMYXMS-OAHLLOKOSA-N 1 0 226.323 3.362 10 0 BGAERO CC[C@]1(C(N)=[NH2+])C=CC(c2ccccc2)=CC1 ZINC000095930517 171710435 /nfs/dbraw/zinc/71/04/35/171710435.db2.gz KRBFQCKGOMYXMS-HNNXBMFYSA-N 1 0 226.323 3.362 10 0 BGAERO C/C=C1/C[N@H+](Cc2ccccc2)CC=C1C ZINC000095932846 384411888 /nfs/dbraw/zinc/41/18/88/384411888.db2.gz UKRLXBNAFJUJBF-CQPUUCJISA-N 1 0 213.324 3.395 10 0 BGAERO [NH3+]CCc1cc(F)ccc1Oc1ccccc1 ZINC000095934466 384413404 /nfs/dbraw/zinc/41/34/04/384413404.db2.gz MFHUXIKDRNXWML-UHFFFAOYSA-N 1 0 231.270 3.119 10 0 BGAERO CCCCCC[NH2+]C1C[C@@H](C)O[C@@H](C)C1 ZINC000096033733 384425083 /nfs/dbraw/zinc/42/50/83/384425083.db2.gz GJFVWPROPYYHGY-FUNVUKJBSA-N 1 0 213.365 3.112 10 0 BGAERO CCCCCC[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000096033734 168666777 /nfs/dbraw/zinc/66/67/77/168666777.db2.gz GJFVWPROPYYHGY-VXGBXAGGSA-N 1 0 213.365 3.112 10 0 BGAERO CCCCCC[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000096033735 384423712 /nfs/dbraw/zinc/42/37/12/384423712.db2.gz GJFVWPROPYYHGY-RYUDHWBXSA-N 1 0 213.365 3.112 10 0 BGAERO CC(C)Oc1cc(F)cc(-c2cc(N)cc[nH+]2)c1 ZINC000096151945 167285789 /nfs/dbraw/zinc/28/57/89/167285789.db2.gz KADFOGAOFADPIO-UHFFFAOYSA-N 1 0 246.285 3.257 10 0 BGAERO Cc1ccccc1C[NH2+]CCCOC(F)(F)F ZINC000096308366 179281401 /nfs/dbraw/zinc/28/14/01/179281401.db2.gz NZCFZZSHEQMOJX-UHFFFAOYSA-N 1 0 247.260 3.011 10 0 BGAERO Cc1ccc(C[NH2+]CCCOC(F)(F)F)cc1 ZINC000096308422 178605522 /nfs/dbraw/zinc/60/55/22/178605522.db2.gz UIEXJWURUBSJAG-UHFFFAOYSA-N 1 0 247.260 3.011 10 0 BGAERO CCCCC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000096675527 168630361 /nfs/dbraw/zinc/63/03/61/168630361.db2.gz ZIRKFPDDKRNQQZ-BXUZGUMPSA-N 1 0 219.328 3.082 10 0 BGAERO CCC/C=C\c1ccc(C2(O)CC[NH2+]CC2)cc1 ZINC000096766310 633011421 /nfs/dbraw/zinc/01/14/21/633011421.db2.gz IDENCUVSXABIEH-PLNGDYQASA-N 1 0 245.366 3.071 10 0 BGAERO [NH3+]Cc1ccc(F)c(/C=C\c2ccccc2)c1 ZINC000096797697 644836707 /nfs/dbraw/zinc/83/67/07/644836707.db2.gz MOCGTTRNZKUZRP-VURMDHGXSA-N 1 0 227.282 3.455 10 0 BGAERO [NH3+]Cc1cccc(/C=C\c2ccccc2)c1 ZINC000096801589 644838500 /nfs/dbraw/zinc/83/85/00/644838500.db2.gz BLHHECBCUDFCMC-KTKRTIGZSA-N 1 0 209.292 3.316 10 0 BGAERO CCC/C=C\c1ccc(C[NH+]2CCCC2)cn1 ZINC000096801685 644838884 /nfs/dbraw/zinc/83/88/84/644838884.db2.gz UPVAWAUNJNRAIQ-DAXSKMNVSA-N 1 0 230.355 3.491 10 0 BGAERO Cc1cccc(C)c1C[N@@H+]1CCC[C@@H]1CCCO ZINC000096812151 360356749 /nfs/dbraw/zinc/35/67/49/360356749.db2.gz MWIRXFBCQUTTML-OAHLLOKOSA-N 1 0 247.382 3.040 10 0 BGAERO Cc1cccc(C)c1C[N@@H+]1CCC[C@H]1CCCO ZINC000096812152 360355908 /nfs/dbraw/zinc/35/59/08/360355908.db2.gz MWIRXFBCQUTTML-HNNXBMFYSA-N 1 0 247.382 3.040 10 0 BGAERO C/C=C(/C)C[N@H+](Cc1cnn(CC)c1)CC(C)C ZINC000096839424 631253717 /nfs/dbraw/zinc/25/37/17/631253717.db2.gz NAYZUPPMONTKID-NSIKDUERSA-N 1 0 249.402 3.327 10 0 BGAERO [NH3+]Cc1ccccc1/C=C\c1ccccc1 ZINC000096839851 644842625 /nfs/dbraw/zinc/84/26/25/644842625.db2.gz IYEKXNDKKWXQLE-KHPPLWFESA-N 1 0 209.292 3.316 10 0 BGAERO [NH3+]CCc1ccccc1/C=C\c1ccccc1 ZINC000096841069 644841960 /nfs/dbraw/zinc/84/19/60/644841960.db2.gz YOEYIFAVNPRCLC-KHPPLWFESA-N 1 0 223.319 3.358 10 0 BGAERO [NH3+]CCc1cccc(/C=C\c2ccccc2)c1 ZINC000096841974 631250986 /nfs/dbraw/zinc/25/09/86/631250986.db2.gz LKKGORSBBNBYAE-KTKRTIGZSA-N 1 0 223.319 3.358 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](c2ccccc2Cl)C1 ZINC000096869476 177285368 /nfs/dbraw/zinc/28/53/68/177285368.db2.gz XCAWZQVBVFPRRE-ZJUUUORDSA-N 1 0 209.720 3.053 10 0 BGAERO Fc1cccc2cc([C@@H]3CCCC[NH2+]3)oc21 ZINC000096872105 181008198 /nfs/dbraw/zinc/00/81/98/181008198.db2.gz FDEDTALPYWJTJW-NSHDSACASA-N 1 0 219.259 3.387 10 0 BGAERO Fc1cccc2cc([C@H]3CCCC[NH2+]3)oc21 ZINC000096872106 181007953 /nfs/dbraw/zinc/00/79/53/181007953.db2.gz FDEDTALPYWJTJW-LLVKDONJSA-N 1 0 219.259 3.387 10 0 BGAERO [NH3+]Cc1cc2ccc(Br)cc2s1 ZINC000096877801 384482316 /nfs/dbraw/zinc/48/23/16/384482316.db2.gz LFZULRRWARPPKY-UHFFFAOYSA-N 1 0 242.141 3.123 10 0 BGAERO CCC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000096879887 168252285 /nfs/dbraw/zinc/25/22/85/168252285.db2.gz UEDAVYBZOWNKPG-OAHLLOKOSA-N 1 0 245.366 3.268 10 0 BGAERO CCC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000096879888 168254068 /nfs/dbraw/zinc/25/40/68/168254068.db2.gz UEDAVYBZOWNKPG-HNNXBMFYSA-N 1 0 245.366 3.268 10 0 BGAERO CC[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2)CC1 ZINC000096881346 187361558 /nfs/dbraw/zinc/36/15/58/187361558.db2.gz BMSTWCAKNXLNGA-CVEARBPZSA-N 1 0 247.382 3.060 10 0 BGAERO C[NH2+]C[C@@H](OC)c1ccc(SC(C)C)cc1 ZINC000096891042 173366801 /nfs/dbraw/zinc/36/68/01/173366801.db2.gz WYBAOEYVQVHKHJ-CYBMUJFWSA-N 1 0 239.384 3.094 10 0 BGAERO C[NH2+]C[C@H](OC)c1ccc(SC(C)C)cc1 ZINC000096891043 173378257 /nfs/dbraw/zinc/37/82/57/173378257.db2.gz WYBAOEYVQVHKHJ-ZDUSSCGKSA-N 1 0 239.384 3.094 10 0 BGAERO CC(C)Sc1ccc([C@@H](C)OCC[NH3+])cc1 ZINC000096891054 167337565 /nfs/dbraw/zinc/33/75/65/167337565.db2.gz WZBCUEOOEYEMSK-LLVKDONJSA-N 1 0 239.384 3.223 10 0 BGAERO CC(C)Sc1ccc([C@H](C)OCC[NH3+])cc1 ZINC000096891055 167337357 /nfs/dbraw/zinc/33/73/57/167337357.db2.gz WZBCUEOOEYEMSK-NSHDSACASA-N 1 0 239.384 3.223 10 0 BGAERO c1sc(-c2ccccc2)nc1C[C@@H]1CCC[NH2+]1 ZINC000096895183 183382406 /nfs/dbraw/zinc/38/24/06/183382406.db2.gz KTOIHQJRKPNXLY-LBPRGKRZSA-N 1 0 244.363 3.105 10 0 BGAERO c1sc(-c2ccccc2)nc1C[C@H]1CCC[NH2+]1 ZINC000096895184 183382382 /nfs/dbraw/zinc/38/23/82/183382382.db2.gz KTOIHQJRKPNXLY-GFCCVEGCSA-N 1 0 244.363 3.105 10 0 BGAERO c1sc(Cc2ccccc2)nc1[C@@H]1CCC[NH2+]1 ZINC000096895189 183411719 /nfs/dbraw/zinc/41/17/19/183411719.db2.gz NIOSTAHPTPBXTB-LBPRGKRZSA-N 1 0 244.363 3.158 10 0 BGAERO Brc1sccc1[C@@H]1CCCC[NH2+]1 ZINC000096895621 166109483 /nfs/dbraw/zinc/10/94/83/166109483.db2.gz XEHXEPUFHNAQNW-QMMMGPOBSA-N 1 0 246.173 3.325 10 0 BGAERO Brc1sccc1[C@H]1CCCC[NH2+]1 ZINC000096895622 166107992 /nfs/dbraw/zinc/10/79/92/166107992.db2.gz XEHXEPUFHNAQNW-MRVPVSSYSA-N 1 0 246.173 3.325 10 0 BGAERO Brc1cc([C@@H]2CCCC[NH2+]2)cs1 ZINC000096895623 166096501 /nfs/dbraw/zinc/09/65/01/166096501.db2.gz XUMXICLRYKVLRR-QMMMGPOBSA-N 1 0 246.173 3.325 10 0 BGAERO Brc1cc([C@H]2CCCC[NH2+]2)cs1 ZINC000096895624 166096377 /nfs/dbraw/zinc/09/63/77/166096377.db2.gz XUMXICLRYKVLRR-MRVPVSSYSA-N 1 0 246.173 3.325 10 0 BGAERO Fc1ccccc1-c1nc([C@@H]2CCC[NH2+]2)cs1 ZINC000096896429 181009674 /nfs/dbraw/zinc/00/96/74/181009674.db2.gz MZFHXYWARSTQMU-NSHDSACASA-N 1 0 248.326 3.374 10 0 BGAERO Fc1ccccc1-c1nc([C@H]2CCC[NH2+]2)cs1 ZINC000096896430 181009052 /nfs/dbraw/zinc/00/90/52/181009052.db2.gz MZFHXYWARSTQMU-LLVKDONJSA-N 1 0 248.326 3.374 10 0 BGAERO Nc1cc(-c2ccccc2Br)ccn1 ZINC000096962261 188223676 /nfs/dbraw/zinc/22/36/76/188223676.db2.gz ZETSPEWPFILMOL-UHFFFAOYSA-N 1 0 249.111 3.093 10 0 BGAERO CC[C@@](C)([NH3+])c1cc(C)sc1Br ZINC000096963320 171171792 /nfs/dbraw/zinc/17/17/92/171171792.db2.gz USMPFOLBEIFRNL-SECBINFHSA-N 1 0 248.189 3.403 10 0 BGAERO CC[C@@](C)(C[NH3+])c1ccsc1Br ZINC000096963322 171166373 /nfs/dbraw/zinc/16/63/73/171166373.db2.gz DSOKKOHCCCAIFO-VIFPVBQESA-N 1 0 248.189 3.137 10 0 BGAERO COc1ccc(C)cc1C[C@H]([NH3+])CC1CCCC1 ZINC000096963507 175076657 /nfs/dbraw/zinc/07/66/57/175076657.db2.gz GRZWNPVQLRWOCO-OAHLLOKOSA-N 1 0 247.382 3.454 10 0 BGAERO CC(C)(C)[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccccc1 ZINC000096964447 188051025 /nfs/dbraw/zinc/05/10/25/188051025.db2.gz KVSZYNFYHMUZIY-GJZGRUSLSA-N 1 0 246.398 3.024 10 0 BGAERO CC(C)(C)[C@H]1[C@@H]([NH3+])CCCN1Cc1ccccc1 ZINC000096964448 188050952 /nfs/dbraw/zinc/05/09/52/188050952.db2.gz KVSZYNFYHMUZIY-LSDHHAIUSA-N 1 0 246.398 3.024 10 0 BGAERO CCC[C@@H]([NH3+])c1cc(-c2cccc(OC)c2)no1 ZINC000096983513 169392979 /nfs/dbraw/zinc/39/29/79/169392979.db2.gz JLKZXGRXYXJTIH-GFCCVEGCSA-N 1 0 246.310 3.150 10 0 BGAERO COc1ccc(C)cc1C[C@H]([NH3+])c1coc(C)c1 ZINC000096984437 175076690 /nfs/dbraw/zinc/07/66/90/175076690.db2.gz VLFYOCJSQNHCRQ-AWEZNQCLSA-N 1 0 245.322 3.148 10 0 BGAERO C[C@@H](c1ccc(Br)cc1)C(C)(C)[NH3+] ZINC000096987571 176012886 /nfs/dbraw/zinc/01/28/86/176012886.db2.gz GKRHWRXWWWQHSJ-QMMMGPOBSA-N 1 0 242.160 3.290 10 0 BGAERO C[C@H](c1ccc(Br)cc1)C(C)(C)[NH3+] ZINC000096987572 177032139 /nfs/dbraw/zinc/03/21/39/177032139.db2.gz GKRHWRXWWWQHSJ-MRVPVSSYSA-N 1 0 242.160 3.290 10 0 BGAERO C[C@@H](c1ccccc1Br)C(C)(C)[NH3+] ZINC000096987575 176023620 /nfs/dbraw/zinc/02/36/20/176023620.db2.gz GYCAKUVOICUUTO-QMMMGPOBSA-N 1 0 242.160 3.290 10 0 BGAERO C[C@H](c1ccccc1Br)C(C)(C)[NH3+] ZINC000096987576 177041258 /nfs/dbraw/zinc/04/12/58/177041258.db2.gz GYCAKUVOICUUTO-MRVPVSSYSA-N 1 0 242.160 3.290 10 0 BGAERO C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000097436181 256648995 /nfs/dbraw/zinc/64/89/95/256648995.db2.gz CYICWXLOPJBGPW-HZSPNIEDSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CCO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000097436183 386454425 /nfs/dbraw/zinc/45/44/25/386454425.db2.gz CYICWXLOPJBGPW-RDBSUJKOSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)(C)C[N@@H+]1CC[C@]2(CNc3ccccc32)C1 ZINC000097757747 384275310 /nfs/dbraw/zinc/27/53/10/384275310.db2.gz TUEPAQIPSZVYGR-INIZCTEOSA-N 1 0 244.382 3.102 10 0 BGAERO CC(C)(C)C[N@@H+]1CC[C@@]2(CNc3ccccc32)C1 ZINC000097757748 384277933 /nfs/dbraw/zinc/27/79/33/384277933.db2.gz TUEPAQIPSZVYGR-MRXNPFEDSA-N 1 0 244.382 3.102 10 0 BGAERO [NH3+][C@@H]1C[C@H](c2ccccc2F)Nc2ccccc21 ZINC000097758130 181599697 /nfs/dbraw/zinc/59/96/97/181599697.db2.gz FIPUGBJAKIBBLB-UKRRQHHQSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@H]1C[C@H](c2ccccc2F)Nc2ccccc21 ZINC000097758131 384280833 /nfs/dbraw/zinc/28/08/33/384280833.db2.gz FIPUGBJAKIBBLB-DZGCQCFKSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@@H]1C[C@@H](c2ccccc2F)Nc2ccccc21 ZINC000097758132 384278887 /nfs/dbraw/zinc/27/88/87/384278887.db2.gz FIPUGBJAKIBBLB-HIFRSBDPSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@H]1C[C@@H](c2ccccc2F)Nc2ccccc21 ZINC000097758133 384281141 /nfs/dbraw/zinc/28/11/41/384281141.db2.gz FIPUGBJAKIBBLB-ZFWWWQNUSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@@H]1C[C@H](c2cccc(F)c2)Nc2ccccc21 ZINC000097758163 384280400 /nfs/dbraw/zinc/28/04/00/384280400.db2.gz OMCDMTADBICYDJ-UKRRQHHQSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@H]1C[C@H](c2cccc(F)c2)Nc2ccccc21 ZINC000097758164 181659045 /nfs/dbraw/zinc/65/90/45/181659045.db2.gz OMCDMTADBICYDJ-DZGCQCFKSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@@H]1C[C@@H](c2cccc(F)c2)Nc2ccccc21 ZINC000097758165 181597434 /nfs/dbraw/zinc/59/74/34/181597434.db2.gz OMCDMTADBICYDJ-HIFRSBDPSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@H]1C[C@@H](c2cccc(F)c2)Nc2ccccc21 ZINC000097758166 181658094 /nfs/dbraw/zinc/65/80/94/181658094.db2.gz OMCDMTADBICYDJ-ZFWWWQNUSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@@H]1C[C@H](c2ccc(F)cc2)Nc2ccccc21 ZINC000097758191 384280499 /nfs/dbraw/zinc/28/04/99/384280499.db2.gz VNIZSWIJALWKTP-UKRRQHHQSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@H]1C[C@H](c2ccc(F)cc2)Nc2ccccc21 ZINC000097758192 181659543 /nfs/dbraw/zinc/65/95/43/181659543.db2.gz VNIZSWIJALWKTP-DZGCQCFKSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@@H]1C[C@@H](c2ccc(F)cc2)Nc2ccccc21 ZINC000097758193 384279941 /nfs/dbraw/zinc/27/99/41/384279941.db2.gz VNIZSWIJALWKTP-HIFRSBDPSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@H]1C[C@@H](c2ccc(F)cc2)Nc2ccccc21 ZINC000097758194 384281214 /nfs/dbraw/zinc/28/12/14/384281214.db2.gz VNIZSWIJALWKTP-ZFWWWQNUSA-N 1 0 242.297 3.382 10 0 BGAERO [NH3+][C@H]1C[C@@H](c2ccccc2)Nc2ccccc21 ZINC000097758273 384281190 /nfs/dbraw/zinc/28/11/90/384281190.db2.gz PISUWNCDYXFVKN-ZFWWWQNUSA-N 1 0 224.307 3.243 10 0 BGAERO [NH3+][C@H]1C[C@H](c2ccccc2)Nc2ccccc21 ZINC000097758274 384280022 /nfs/dbraw/zinc/28/00/22/384280022.db2.gz PISUWNCDYXFVKN-DZGCQCFKSA-N 1 0 224.307 3.243 10 0 BGAERO [NH3+][C@@H]1C[C@@H](c2ccccc2)Nc2ccccc21 ZINC000097758275 384280540 /nfs/dbraw/zinc/28/05/40/384280540.db2.gz PISUWNCDYXFVKN-HIFRSBDPSA-N 1 0 224.307 3.243 10 0 BGAERO [NH3+][C@@H]1C[C@H](c2ccccc2)Nc2ccccc21 ZINC000097758276 384280960 /nfs/dbraw/zinc/28/09/60/384280960.db2.gz PISUWNCDYXFVKN-UKRRQHHQSA-N 1 0 224.307 3.243 10 0 BGAERO Cc1ccc2cc(C[NH2+][C@@H]3C[C@@H]3C)ccc2n1 ZINC000097861620 384569621 /nfs/dbraw/zinc/56/96/21/384569621.db2.gz RYPONMRJOJJGQC-ZUZCIYMTSA-N 1 0 226.323 3.041 10 0 BGAERO Cc1ccc2cc(C[NH2+][C@H]3C[C@@H]3C)ccc2n1 ZINC000097861621 178969005 /nfs/dbraw/zinc/96/90/05/178969005.db2.gz RYPONMRJOJJGQC-BONVTDFDSA-N 1 0 226.323 3.041 10 0 BGAERO Cc1ccc2cc(C[NH2+][C@@H]3C[C@H]3C)ccc2n1 ZINC000097861622 384568794 /nfs/dbraw/zinc/56/87/94/384568794.db2.gz RYPONMRJOJJGQC-MEBBXXQBSA-N 1 0 226.323 3.041 10 0 BGAERO Cc1ccc2cc(C[NH2+][C@H]3C[C@H]3C)ccc2n1 ZINC000097861623 384568431 /nfs/dbraw/zinc/56/84/31/384568431.db2.gz RYPONMRJOJJGQC-BMIGLBTASA-N 1 0 226.323 3.041 10 0 BGAERO COc1ccc(-c2cc(C[NH3+])ccc2C)c(C)c1 ZINC000097918528 487706203 /nfs/dbraw/zinc/70/62/03/487706203.db2.gz IRADDGIUMUQPJD-UHFFFAOYSA-N 1 0 241.334 3.438 10 0 BGAERO Cc1ccc(C[NH3+])cc1-c1ccc2c(c1)CCO2 ZINC000097919113 487706113 /nfs/dbraw/zinc/70/61/13/487706113.db2.gz BOJHZYKGOPDRBC-UHFFFAOYSA-N 1 0 239.318 3.056 10 0 BGAERO Cc1ccc(C[NH3+])cc1-c1cccc2c1OCC2 ZINC000097919259 643213846 /nfs/dbraw/zinc/21/38/46/643213846.db2.gz ZAVYIULXCDYXIQ-UHFFFAOYSA-N 1 0 239.318 3.056 10 0 BGAERO Cc1cc(NCC(F)F)c2ccccc2[nH+]1 ZINC000098000874 178155967 /nfs/dbraw/zinc/15/59/67/178155967.db2.gz MPPONQKUNSEGOV-UHFFFAOYSA-N 1 0 222.238 3.220 10 0 BGAERO CC[C@@H](c1cccc(OC)c1)[C@H](C)C[NH+](C)C ZINC000098091956 346761005 /nfs/dbraw/zinc/76/10/05/346761005.db2.gz JKVBTSJLQLSTHJ-IUODEOHRSA-N 1 0 235.371 3.387 10 0 BGAERO CC[C@H](c1cccc(OC)c1)[C@H](C)C[NH+](C)C ZINC000098091957 171596664 /nfs/dbraw/zinc/59/66/64/171596664.db2.gz JKVBTSJLQLSTHJ-DOMZBBRYSA-N 1 0 235.371 3.387 10 0 BGAERO [NH3+]CC[C@H]1CCSc2c(Cl)cccc21 ZINC000098095059 181410883 /nfs/dbraw/zinc/41/08/83/181410883.db2.gz UDPFVYJKTBAFDN-QMMMGPOBSA-N 1 0 227.760 3.268 10 0 BGAERO CC(=O)c1ccc(Oc2ccc(C[NH3+])cc2)cc1 ZINC000098096041 384592286 /nfs/dbraw/zinc/59/22/86/384592286.db2.gz VFFXTEXWKJLPOZ-UHFFFAOYSA-N 1 0 241.290 3.140 10 0 BGAERO CC(C)(C)c1nc(C(C)(C)C)c(C[NH3+])s1 ZINC000098113959 188367498 /nfs/dbraw/zinc/36/74/98/188367498.db2.gz CYHIGYNRAMMTFB-UHFFFAOYSA-N 1 0 226.389 3.197 10 0 BGAERO CCCCc1ccc(CC[C@@H](C)[NH3+])cc1 ZINC000098123862 169020418 /nfs/dbraw/zinc/02/04/18/169020418.db2.gz KHKWAJGFGHZBEK-GFCCVEGCSA-N 1 0 205.345 3.309 10 0 BGAERO CCCCc1ccc(CC[C@H](C)[NH3+])cc1 ZINC000098123863 169020786 /nfs/dbraw/zinc/02/07/86/169020786.db2.gz KHKWAJGFGHZBEK-LBPRGKRZSA-N 1 0 205.345 3.309 10 0 BGAERO CCSc1ccc(CCCC[NH3+])cc1 ZINC000098123930 170654596 /nfs/dbraw/zinc/65/45/96/170654596.db2.gz KXJAXGQUKZZKFI-UHFFFAOYSA-N 1 0 209.358 3.080 10 0 BGAERO CCOc1ccc(CC[C@H]([NH3+])CC)cc1C ZINC000098124718 187290583 /nfs/dbraw/zinc/29/05/83/187290583.db2.gz HUDBJLUDBVALCV-CYBMUJFWSA-N 1 0 221.344 3.064 10 0 BGAERO CCSc1ccc(CC[NH2+]C2CC2)cc1 ZINC000098124731 170654786 /nfs/dbraw/zinc/65/47/86/170654786.db2.gz SMQUENAIVLCZKH-UHFFFAOYSA-N 1 0 221.369 3.093 10 0 BGAERO CCSc1ccc(CC[C@@H]([NH3+])CC)cc1 ZINC000098124872 170654704 /nfs/dbraw/zinc/65/47/04/170654704.db2.gz IRNXQGBHOPQLDA-LBPRGKRZSA-N 1 0 223.385 3.469 10 0 BGAERO C[NH2+]CCCc1ccc(SC(C)C)cc1 ZINC000098124880 173350761 /nfs/dbraw/zinc/35/07/61/173350761.db2.gz PBCBKPLICFMEDO-UHFFFAOYSA-N 1 0 223.385 3.339 10 0 BGAERO CC(C)Sc1ccc(CCCC[NH3+])cc1 ZINC000098124881 167337118 /nfs/dbraw/zinc/33/71/18/167337118.db2.gz QYIMLEVYLKNPCU-UHFFFAOYSA-N 1 0 223.385 3.469 10 0 BGAERO CC[NH2+]CCCCc1cc(Cl)ccc1F ZINC000098125161 170112741 /nfs/dbraw/zinc/11/27/41/170112741.db2.gz FEGHAILNWYXUAP-UHFFFAOYSA-N 1 0 229.726 3.411 10 0 BGAERO CC[NH2+]CCCCc1c(C)[nH]c2ccccc21 ZINC000098125215 170112481 /nfs/dbraw/zinc/11/24/81/170112481.db2.gz XUZIIENJIBPIDQ-UHFFFAOYSA-N 1 0 230.355 3.409 10 0 BGAERO CC(C)(C)Oc1ccc(CC[NH2+]C2CC2)cc1 ZINC000098125853 166685901 /nfs/dbraw/zinc/68/59/01/166685901.db2.gz UGLJOFGQCJDPHL-UHFFFAOYSA-N 1 0 233.355 3.158 10 0 BGAERO CCOc1ccc(C[C@@H](C)[NH2+]C2CC2)cc1C ZINC000098125861 170547571 /nfs/dbraw/zinc/54/75/71/170547571.db2.gz MMQLADNVIBZUGV-GFCCVEGCSA-N 1 0 233.355 3.077 10 0 BGAERO CCOc1ccc(C[C@H](C)[NH2+]C2CC2)cc1C ZINC000098125862 170547894 /nfs/dbraw/zinc/54/78/94/170547894.db2.gz MMQLADNVIBZUGV-LBPRGKRZSA-N 1 0 233.355 3.077 10 0 BGAERO COc1cc(C(C)C)ccc1CC[NH2+]C1CC1 ZINC000098125865 174951269 /nfs/dbraw/zinc/95/12/69/174951269.db2.gz WBVMBBHUMQGFLJ-UHFFFAOYSA-N 1 0 233.355 3.113 10 0 BGAERO CCOc1cc(C)c(CC[C@H]([NH3+])CC)cc1C ZINC000098126036 170518695 /nfs/dbraw/zinc/51/86/95/170518695.db2.gz BASIAMOOIFKZCF-CQSZACIVSA-N 1 0 235.371 3.372 10 0 BGAERO CCOc1cc(C)c(CC[NH2+]C(C)C)cc1C ZINC000098126037 170518347 /nfs/dbraw/zinc/51/83/47/170518347.db2.gz ZEKKTZHIGGCMKC-UHFFFAOYSA-N 1 0 235.371 3.243 10 0 BGAERO CCOc1cc(C)c(C[C@H](CC)[NH2+]C)cc1C ZINC000098126039 170518652 /nfs/dbraw/zinc/51/86/52/170518652.db2.gz AKLNNYGATYYWEQ-AWEZNQCLSA-N 1 0 235.371 3.243 10 0 BGAERO CCOc1cc(C)c(C[C@@H](CC)[NH2+]C)cc1C ZINC000098126040 170518810 /nfs/dbraw/zinc/51/88/10/170518810.db2.gz AKLNNYGATYYWEQ-CQSZACIVSA-N 1 0 235.371 3.243 10 0 BGAERO CC(C)[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC000098126060 167108668 /nfs/dbraw/zinc/10/86/68/167108668.db2.gz KUVDOBNXZADELQ-UHFFFAOYSA-N 1 0 235.371 3.404 10 0 BGAERO CC[C@H](Cc1ccc(OC(C)(C)C)cc1)[NH2+]C ZINC000098126063 171469657 /nfs/dbraw/zinc/46/96/57/171469657.db2.gz VCEWAGMXYWNSKW-CYBMUJFWSA-N 1 0 235.371 3.404 10 0 BGAERO CCc1cc(C[C@H]([NH2+]C)C(C)C)ccc1OC ZINC000098126065 171759804 /nfs/dbraw/zinc/75/98/04/171759804.db2.gz SKMOKYAHCJWNCB-AWEZNQCLSA-N 1 0 235.371 3.044 10 0 BGAERO CCc1ccc(OC)c(C[C@H](C)[NH2+]C(C)C)c1 ZINC000098126073 171825192 /nfs/dbraw/zinc/82/51/92/171825192.db2.gz CWLDBUUFXZWXHG-LBPRGKRZSA-N 1 0 235.371 3.187 10 0 BGAERO CC[C@H]([NH3+])CCc1ccc(OC(C)C)c(C)c1 ZINC000098126079 171483457 /nfs/dbraw/zinc/48/34/57/171483457.db2.gz ZQVSZOTWPRLMBG-AWEZNQCLSA-N 1 0 235.371 3.452 10 0 BGAERO CC[C@H](Cc1ccc(OC(C)C)c(C)c1)[NH2+]C ZINC000098126084 171470117 /nfs/dbraw/zinc/47/01/17/171470117.db2.gz BCSSFIUCAUFACS-CQSZACIVSA-N 1 0 235.371 3.323 10 0 BGAERO C[NH2+][C@H](Cc1ccc(OC(C)C)cc1)C(C)C ZINC000098126085 173454122 /nfs/dbraw/zinc/45/41/22/173454122.db2.gz OFOZPYRRKFPPNN-OAHLLOKOSA-N 1 0 235.371 3.260 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(OC(C)C)cc1)C(C)C ZINC000098126086 173426080 /nfs/dbraw/zinc/42/60/80/173426080.db2.gz OFOZPYRRKFPPNN-HNNXBMFYSA-N 1 0 235.371 3.260 10 0 BGAERO CC[NH2+]CCCc1cc(C)c(OC)c(C)c1C ZINC000098126088 170113806 /nfs/dbraw/zinc/11/38/06/170113806.db2.gz ANJNEISRHPSREL-UHFFFAOYSA-N 1 0 235.371 3.163 10 0 BGAERO CC(C)Sc1ccc(CC[NH2+]C2CC2)cc1 ZINC000098126106 167336591 /nfs/dbraw/zinc/33/65/91/167336591.db2.gz VSYYKOZVMXJBEF-UHFFFAOYSA-N 1 0 235.396 3.482 10 0 BGAERO CCOc1ccc(C[C@H](C)[NH2+]C(C)C)cc1F ZINC000098126537 170547756 /nfs/dbraw/zinc/54/77/56/170547756.db2.gz BTDLFRNUBLXXQL-NSHDSACASA-N 1 0 239.334 3.153 10 0 BGAERO CC[C@H]([NH3+])CCc1ccc(OC(C)C)c(F)c1 ZINC000098126538 171484021 /nfs/dbraw/zinc/48/40/21/171484021.db2.gz CTZXIACBFRRVEH-LBPRGKRZSA-N 1 0 239.334 3.283 10 0 BGAERO CC(C)[NH2+]CCc1ccc(OC(C)C)c(F)c1 ZINC000098126540 167109088 /nfs/dbraw/zinc/10/90/88/167109088.db2.gz ZXTJHEIBDNPYAY-UHFFFAOYSA-N 1 0 239.334 3.153 10 0 BGAERO CC[C@H](Cc1ccc(OC(C)C)c(F)c1)[NH2+]C ZINC000098126543 171469663 /nfs/dbraw/zinc/46/96/63/171469663.db2.gz AFPMKGAVDATJAE-GFCCVEGCSA-N 1 0 239.334 3.153 10 0 BGAERO COc1ccc(CCC[NH2+]C2CC2)cc1Cl ZINC000098126568 175089412 /nfs/dbraw/zinc/08/94/12/175089412.db2.gz ZLAUMSNUNHQJBY-UHFFFAOYSA-N 1 0 239.746 3.033 10 0 BGAERO CCOc1ccc(CC[NH2+]C2CC2)cc1Cl ZINC000098126569 188149322 /nfs/dbraw/zinc/14/93/22/188149322.db2.gz MKCBEPBOYWTNCU-UHFFFAOYSA-N 1 0 239.746 3.033 10 0 BGAERO COc1ccc(CCC[NH2+]C2CC2)c(Cl)c1 ZINC000098126570 175090028 /nfs/dbraw/zinc/09/00/28/175090028.db2.gz GBNXJGUFEDYQRP-UHFFFAOYSA-N 1 0 239.746 3.033 10 0 BGAERO CC[NH2+]CCCc1cc(Cl)c(C)cc1OC ZINC000098126669 170113725 /nfs/dbraw/zinc/11/37/25/170113725.db2.gz JWOSIAYWYJHUDY-UHFFFAOYSA-N 1 0 241.762 3.199 10 0 BGAERO CC[NH2+]CCCc1cc(Cl)c(OC)cc1C ZINC000098126670 170113420 /nfs/dbraw/zinc/11/34/20/170113420.db2.gz BRGWJFGJBAGBNK-UHFFFAOYSA-N 1 0 241.762 3.199 10 0 BGAERO CCOc1ccc(CC[NH2+]C(C)C)cc1Cl ZINC000098126673 187290437 /nfs/dbraw/zinc/29/04/37/187290437.db2.gz UIWQUMFRZBKNAM-UHFFFAOYSA-N 1 0 241.762 3.279 10 0 BGAERO CC[NH2+]CCCc1cc(Cl)cc(C)c1OC ZINC000098126677 170113760 /nfs/dbraw/zinc/11/37/60/170113760.db2.gz WXCZXVCEVVFXDP-UHFFFAOYSA-N 1 0 241.762 3.199 10 0 BGAERO CCCCc1ccc(-c2nc(CC[NH3+])co2)cc1 ZINC000098126769 169019008 /nfs/dbraw/zinc/01/90/08/169019008.db2.gz WLPZFTQOKUWYIP-UHFFFAOYSA-N 1 0 244.338 3.185 10 0 BGAERO CCCCc1ccc(-c2cc(CC[NH3+])no2)cc1 ZINC000098126770 169019917 /nfs/dbraw/zinc/01/99/17/169019917.db2.gz AJBKZFZYLQLOQK-UHFFFAOYSA-N 1 0 244.338 3.185 10 0 BGAERO CC[NH2+]CCCCc1c(C)n(C)c2ccccc21 ZINC000098126776 170112793 /nfs/dbraw/zinc/11/27/93/170112793.db2.gz PATSXVANAWYVGL-UHFFFAOYSA-N 1 0 244.382 3.419 10 0 BGAERO c1cc(OC2CCCC2)ccc1CC[NH2+]C1CC1 ZINC000098128227 183358410 /nfs/dbraw/zinc/35/84/10/183358410.db2.gz UJINMPODBOJWMU-UHFFFAOYSA-N 1 0 245.366 3.303 10 0 BGAERO COc1ccc(CCC[NH2+]C2CCCC2)cc1C ZINC000098128320 175089207 /nfs/dbraw/zinc/08/92/07/175089207.db2.gz SRIHATOIIJNMJO-UHFFFAOYSA-N 1 0 247.382 3.468 10 0 BGAERO COc1ccc(C)cc1CCC[NH2+]C1CCCC1 ZINC000098128321 175073663 /nfs/dbraw/zinc/07/36/63/175073663.db2.gz JCMQROJRGOZVGP-UHFFFAOYSA-N 1 0 247.382 3.468 10 0 BGAERO COc1ccc(CC[NH2+]C2CC2)cc1C(C)(C)C ZINC000098128324 175091453 /nfs/dbraw/zinc/09/14/53/175091453.db2.gz IHBITPUWCSPQEJ-UHFFFAOYSA-N 1 0 247.382 3.287 10 0 BGAERO Cc1cc(C[C@@H](C)[NH2+]C2CC2)ccc1OC(C)C ZINC000098128360 178055774 /nfs/dbraw/zinc/05/57/74/178055774.db2.gz ZMBNDQHKHCPFHH-CYBMUJFWSA-N 1 0 247.382 3.465 10 0 BGAERO Cc1cc(C[C@H](C)[NH2+]C2CC2)ccc1OC(C)C ZINC000098128361 178058185 /nfs/dbraw/zinc/05/81/85/178058185.db2.gz ZMBNDQHKHCPFHH-ZDUSSCGKSA-N 1 0 247.382 3.465 10 0 BGAERO COc1c(C)cc(CCC[NH2+]C2CC2)c(C)c1C ZINC000098128364 174923250 /nfs/dbraw/zinc/92/32/50/174923250.db2.gz MRNZEJVVMNOFEF-UHFFFAOYSA-N 1 0 247.382 3.305 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCCn2cccn2)CC(C)(C)C1 ZINC000098162792 642681184 /nfs/dbraw/zinc/68/11/84/642681184.db2.gz PYLQOSMQQGOAFT-KGLIPLIRSA-N 1 0 249.402 3.078 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCCn2cccn2)CC(C)(C)C1 ZINC000098162794 177369254 /nfs/dbraw/zinc/36/92/54/177369254.db2.gz PYLQOSMQQGOAFT-KBPBESRZSA-N 1 0 249.402 3.078 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCCn2cccn2)CC(C)(C)C1 ZINC000098162796 176375534 /nfs/dbraw/zinc/37/55/34/176375534.db2.gz PYLQOSMQQGOAFT-ZIAGYGMSSA-N 1 0 249.402 3.078 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCCn2cccn2)CC(C)(C)C1 ZINC000098162798 177330771 /nfs/dbraw/zinc/33/07/71/177330771.db2.gz PYLQOSMQQGOAFT-UONOGXRCSA-N 1 0 249.402 3.078 10 0 BGAERO Cc1[nH]c2ccc(F)cc2c1CC[NH+]1CCCC1 ZINC000098178471 384599702 /nfs/dbraw/zinc/59/97/02/384599702.db2.gz NODOPLFSLMMAHY-UHFFFAOYSA-N 1 0 246.329 3.254 10 0 BGAERO FC1(CCCc2ccccc2)CC[NH2+]CC1 ZINC000098179169 180913952 /nfs/dbraw/zinc/91/39/52/180913952.db2.gz QRMOAPDIXKKTAG-UHFFFAOYSA-N 1 0 221.319 3.101 10 0 BGAERO Cc1ccc([C@@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000098179792 384600793 /nfs/dbraw/zinc/60/07/93/384600793.db2.gz MVIDRUVEIIJUFW-INIZCTEOSA-N 1 0 223.319 3.382 10 0 BGAERO Cc1ccc([C@H]2Cc3ccccc3C[NH2+]2)cc1 ZINC000098179793 384601319 /nfs/dbraw/zinc/60/13/19/384601319.db2.gz MVIDRUVEIIJUFW-MRXNPFEDSA-N 1 0 223.319 3.382 10 0 BGAERO c1ccc(-c2cccnc2C2CC[NH2+]CC2)cc1 ZINC000098179921 183380684 /nfs/dbraw/zinc/38/06/84/183380684.db2.gz HEGNGLPBQBDBMW-UHFFFAOYSA-N 1 0 238.334 3.216 10 0 BGAERO CCCCCC[C@]1(C)N(O)C(C)(C)C(C)=[N+]1C ZINC000100074192 384613836 /nfs/dbraw/zinc/61/38/36/384613836.db2.gz FFZLDZFUARTODH-AWEZNQCLSA-N 1 0 240.391 3.216 10 0 BGAERO CCCCCC[C@@]1(C)N(O)C(C)(C)C(C)=[N+]1C ZINC000100074196 384614517 /nfs/dbraw/zinc/61/45/17/384614517.db2.gz FFZLDZFUARTODH-CQSZACIVSA-N 1 0 240.391 3.216 10 0 BGAERO CCCCc1cn(C(C)(C)C)sc1=[NH2+] ZINC000100077973 384614168 /nfs/dbraw/zinc/61/41/68/384614168.db2.gz BXNMRGFZHUYYSH-UHFFFAOYSA-N 1 0 212.362 3.127 10 0 BGAERO CCC1(CC)C[C@H](c2ccncc2)C=C[NH2+]1 ZINC000100261299 384627316 /nfs/dbraw/zinc/62/73/16/384627316.db2.gz LEFCKPOAZNKSDB-CYBMUJFWSA-N 1 0 216.328 3.231 10 0 BGAERO CCC1(CC)C[C@@H](c2ccncc2)C=C[NH2+]1 ZINC000100261304 168464138 /nfs/dbraw/zinc/46/41/38/168464138.db2.gz LEFCKPOAZNKSDB-ZDUSSCGKSA-N 1 0 216.328 3.231 10 0 BGAERO COc1ccc2c(c1)NC(C)=CC(C)=[NH+]2 ZINC000100291843 175211854 /nfs/dbraw/zinc/21/18/54/175211854.db2.gz SVISYYUVVLNVFM-UHFFFAOYSA-N 1 0 202.257 3.117 10 0 BGAERO N#Cc1ccc([C@H]2CC[C@@H]([NH2+]C3CC3)CC2)cc1 ZINC000100438728 358421282 /nfs/dbraw/zinc/42/12/82/358421282.db2.gz UMJSIIRLNZDYIK-SHTZXODSSA-N 1 0 240.350 3.336 10 0 BGAERO CC1=C(CC2=[NH+]CCCN2)CCc2ccccc21 ZINC000100688726 168086272 /nfs/dbraw/zinc/08/62/72/168086272.db2.gz ASJLQTOOYVJPKQ-UHFFFAOYSA-N 1 0 240.350 3.188 10 0 BGAERO C#[N+]c1cccc(C(=O)c2ccccc2)c1 ZINC000100760048 183317120 /nfs/dbraw/zinc/31/71/20/183317120.db2.gz JVJVUEJTJIZDNU-UHFFFAOYSA-N 1 0 207.232 3.468 10 0 BGAERO [NH2+]=C1c2ccccc2CN1C1CCCCC1 ZINC000100880167 181207970 /nfs/dbraw/zinc/20/79/70/181207970.db2.gz CLAWDGXSPUCSPR-UHFFFAOYSA-N 1 0 214.312 3.160 10 0 BGAERO CCCN(CCC)C1=[NH+]Cc2ccccc2N1 ZINC000101178713 169147125 /nfs/dbraw/zinc/14/71/25/169147125.db2.gz VEYSTCHDXPYZHF-UHFFFAOYSA-N 1 0 231.343 3.090 10 0 BGAERO C[C@H]1C(=O)[C@@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@H]1C ZINC000101417452 344421916 /nfs/dbraw/zinc/42/19/16/344421916.db2.gz LPKQYIKVPAIMPD-CRWXNKLISA-N 1 0 245.366 3.121 10 0 BGAERO C[C@H]1C(=O)[C@@H](C)[C@H](C)[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000101417457 368384248 /nfs/dbraw/zinc/38/42/48/368384248.db2.gz LPKQYIKVPAIMPD-KPWCQOOUSA-N 1 0 245.366 3.121 10 0 BGAERO CN(C)c1cc[nH+]c2cc(C(F)(F)F)ccc21 ZINC000101483302 368339411 /nfs/dbraw/zinc/33/94/11/368339411.db2.gz SHXQLLSEDJOSAF-UHFFFAOYSA-N 1 0 240.228 3.320 10 0 BGAERO CC(C)[C@@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000102420058 167380207 /nfs/dbraw/zinc/38/02/07/167380207.db2.gz PELJRNCDRXPYJK-GFCCVEGCSA-N 1 0 231.339 3.097 10 0 BGAERO CC(C)[C@H](C)[NH2+]CC1=Cc2ccccc2OC1 ZINC000102420059 188323227 /nfs/dbraw/zinc/32/32/27/188323227.db2.gz PELJRNCDRXPYJK-LBPRGKRZSA-N 1 0 231.339 3.097 10 0 BGAERO CC(C)[NH2+]Cc1ccc2c(c1)C=CC(C)(C)O2 ZINC000103221093 167119625 /nfs/dbraw/zinc/11/96/25/167119625.db2.gz FSEWMAVQZIAANP-UHFFFAOYSA-N 1 0 231.339 3.369 10 0 BGAERO COc1ccc(N[C@@H]2C[C@H]3CC=C[C@@H]32)cc1C ZINC000103345980 175154780 /nfs/dbraw/zinc/15/47/80/175154780.db2.gz AVOALSLHRYRCPH-KWCYVHTRSA-N 1 0 229.323 3.380 10 0 BGAERO CCCn1c[nH+]c([C@@H](C)c2ccccc2)c1N ZINC000103474375 187291900 /nfs/dbraw/zinc/29/19/00/187291900.db2.gz SPXDFZHUTQWWMU-NSHDSACASA-N 1 0 229.327 3.027 10 0 BGAERO CCCn1c[nH+]c([C@H](C)c2ccccc2)c1N ZINC000103474378 188150459 /nfs/dbraw/zinc/15/04/59/188150459.db2.gz SPXDFZHUTQWWMU-LLVKDONJSA-N 1 0 229.327 3.027 10 0 BGAERO C[C@H](c1[nH+]cn(C(C)(C)C)c1N)c1ccccc1 ZINC000103474417 176024239 /nfs/dbraw/zinc/02/42/39/176024239.db2.gz MTALCLXEUUMVIR-NSHDSACASA-N 1 0 243.354 3.372 10 0 BGAERO CCCCn1c[nH+]c([C@@H](C)c2ccccc2)c1N ZINC000103474421 169036188 /nfs/dbraw/zinc/03/61/88/169036188.db2.gz TVISHNXIMHFOPQ-LBPRGKRZSA-N 1 0 243.354 3.417 10 0 BGAERO CCCCn1c[nH+]c([C@H](C)c2ccccc2)c1N ZINC000103474424 169036375 /nfs/dbraw/zinc/03/63/75/169036375.db2.gz TVISHNXIMHFOPQ-GFCCVEGCSA-N 1 0 243.354 3.417 10 0 BGAERO CCC[C@@H](C)c1[nH+]cn(Cc2ccccc2)c1N ZINC000103474466 169375212 /nfs/dbraw/zinc/37/52/12/169375212.db2.gz ZLYCUJIPYDLZLZ-GFCCVEGCSA-N 1 0 243.354 3.417 10 0 BGAERO CCCCn1c(C)[nH+]c(-c2ccccc2F)c1N ZINC000103499133 169033441 /nfs/dbraw/zinc/03/34/41/169033441.db2.gz WLVZEDTWWOGZBB-UHFFFAOYSA-N 1 0 247.317 3.380 10 0 BGAERO Cc1[nH+]c(-c2ccc(C)c(C)c2)c(N)n1C1CC1 ZINC000103499710 178332744 /nfs/dbraw/zinc/33/27/44/178332744.db2.gz CAVKASORIVFXDV-UHFFFAOYSA-N 1 0 241.338 3.392 10 0 BGAERO CCn1c(C)[nH+]c(-c2cc(C)cc(C)c2)c1N ZINC000103500224 172137864 /nfs/dbraw/zinc/13/78/64/172137864.db2.gz DITMMNMYRXCGJB-UHFFFAOYSA-N 1 0 229.327 3.077 10 0 BGAERO CCCCn1c(N)c(-c2ccccc2)[nH+]c1CC ZINC000103500725 169034094 /nfs/dbraw/zinc/03/40/94/169034094.db2.gz GHLLREYSBHGDAQ-UHFFFAOYSA-N 1 0 243.354 3.495 10 0 BGAERO CCc1[nH+]c(-c2ccc(CC)cc2)c(N)n1CC ZINC000103500835 171779334 /nfs/dbraw/zinc/77/93/34/171779334.db2.gz OYTLDCUVIWPYBH-UHFFFAOYSA-N 1 0 243.354 3.277 10 0 BGAERO CCn1c(N)c(C2CCCC2)[nH+]c1C(C)(C)C ZINC000103500875 172134904 /nfs/dbraw/zinc/13/49/04/172134904.db2.gz OUYPMPRQRBTCAL-UHFFFAOYSA-N 1 0 235.375 3.440 10 0 BGAERO CCc1[nH+]c(-c2cc(C)ccc2C)c(N)n1CC 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XCZXUSVAZUIHIF-UHFFFAOYSA-N 1 0 235.375 3.440 10 0 BGAERO Cc1[nH+]c(CCc2ccccc2)c(N)n1C(C)C ZINC000103730094 179943699 /nfs/dbraw/zinc/94/36/99/179943699.db2.gz GEDPBRDTQSGAQL-UHFFFAOYSA-N 1 0 243.354 3.140 10 0 BGAERO CCCCn1c(N)c(CC(C)(C)C)[nH+]c1CC ZINC000103848878 169033941 /nfs/dbraw/zinc/03/39/41/169033941.db2.gz MSECPDLBIDYHFE-UHFFFAOYSA-N 1 0 237.391 3.416 10 0 BGAERO C/C(=C/c1ccccc1)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000103861514 387463664 /nfs/dbraw/zinc/46/36/64/387463664.db2.gz BZZRQIOENOHKAS-FVIMBVCGSA-N 1 0 245.366 3.199 10 0 BGAERO CCCOc1cc(C[NH2+]CC)nc2ccccc21 ZINC000103917451 169314561 /nfs/dbraw/zinc/31/45/61/169314561.db2.gz NHTVMRNBJMZGLO-UHFFFAOYSA-N 1 0 244.338 3.133 10 0 BGAERO CC[C@H](C)Oc1cc(C[NH2+]C)nc2ccccc21 ZINC000103918481 171356591 /nfs/dbraw/zinc/35/65/91/171356591.db2.gz JPGLLVZPZFILLY-NSHDSACASA-N 1 0 244.338 3.132 10 0 BGAERO COc1ccc(Cl)c2[nH+]c(C3CC3)cc(N)c12 ZINC000103956462 175119832 /nfs/dbraw/zinc/11/98/32/175119832.db2.gz XBAUFNCNQVHKBZ-UHFFFAOYSA-N 1 0 248.713 3.356 10 0 BGAERO C1CC[C@H]2C[C@@H]([NH2+][C@@H]3CCCOC3)CC[C@@H]2C1 ZINC000103958547 188160128 /nfs/dbraw/zinc/16/01/28/188160128.db2.gz GJPPQQQDSPEKON-ZQDZILKHSA-N 1 0 237.387 3.114 10 0 BGAERO CC[C@@H]1CCCCN1c1ccccc1[C@H](C)[NH3+] ZINC000103961728 132433469 /nfs/dbraw/zinc/43/34/69/132433469.db2.gz QBTZZSAFPIBZSV-QWHCGFSZSA-N 1 0 232.371 3.475 10 0 BGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000103964477 187473268 /nfs/dbraw/zinc/47/32/68/187473268.db2.gz QLZLMYMCXCMRQR-RDBSUJKOSA-N 1 0 239.403 3.360 10 0 BGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000103964482 187989892 /nfs/dbraw/zinc/98/98/92/187989892.db2.gz QLZLMYMCXCMRQR-HZSPNIEDSA-N 1 0 239.403 3.360 10 0 BGAERO CCCC[NH2+]CCN1C[C@H](C)Cc2ccccc21 ZINC000103999725 132433692 /nfs/dbraw/zinc/43/36/92/132433692.db2.gz WUWQETRIBNNALR-CQSZACIVSA-N 1 0 246.398 3.075 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1Cc1c(N)cccc1F ZINC000104053494 177132070 /nfs/dbraw/zinc/13/20/70/177132070.db2.gz ZQOIWVRDKVNAHP-QWRGUYRKSA-N 1 0 236.334 3.171 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1Cc1c(N)cccc1F ZINC000104053500 176116163 /nfs/dbraw/zinc/11/61/63/176116163.db2.gz ZQOIWVRDKVNAHP-GHMZBOCLSA-N 1 0 236.334 3.171 10 0 BGAERO Cc1nc2ccccc2c(C[NH2+]CC2CC2)c1C ZINC000104054136 180101522 /nfs/dbraw/zinc/10/15/22/180101522.db2.gz SMDMWSYYWNDLID-UHFFFAOYSA-N 1 0 240.350 3.351 10 0 BGAERO CCC[NH2+][C@@H](CCc1cccc(OC)c1)C1CC1 ZINC000104054821 169279503 /nfs/dbraw/zinc/27/95/03/169279503.db2.gz GPCYZULNHDYSKL-INIZCTEOSA-N 1 0 247.382 3.406 10 0 BGAERO CCC[NH2+][C@H](CCc1cccc(OC)c1)C1CC1 ZINC000104054827 169289466 /nfs/dbraw/zinc/28/94/66/169289466.db2.gz GPCYZULNHDYSKL-MRXNPFEDSA-N 1 0 247.382 3.406 10 0 BGAERO C[NH2+][C@H](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000104056290 173454631 /nfs/dbraw/zinc/45/46/31/173454631.db2.gz BUKCAXHTSAIBMG-GFCCVEGCSA-N 1 0 243.272 3.246 10 0 BGAERO CC[NH2+][C@@H](CCc1cccc(OC)c1)C1CC1 ZINC000104059258 170145121 /nfs/dbraw/zinc/14/51/21/170145121.db2.gz GQYCXHYYHPRSMN-HNNXBMFYSA-N 1 0 233.355 3.016 10 0 BGAERO CC[NH2+][C@H](CCc1cccc(OC)c1)C1CC1 ZINC000104059264 170162385 /nfs/dbraw/zinc/16/23/85/170162385.db2.gz GQYCXHYYHPRSMN-OAHLLOKOSA-N 1 0 233.355 3.016 10 0 BGAERO CC[NH2+][C@@H](CCc1cccc(F)c1F)C1CC1 ZINC000104070464 170144933 /nfs/dbraw/zinc/14/49/33/170144933.db2.gz SJVBLZGCNGJAIS-ZDUSSCGKSA-N 1 0 239.309 3.286 10 0 BGAERO CC[NH2+][C@H](CCc1cccc(F)c1F)C1CC1 ZINC000104070467 170162433 /nfs/dbraw/zinc/16/24/33/170162433.db2.gz SJVBLZGCNGJAIS-CYBMUJFWSA-N 1 0 239.309 3.286 10 0 BGAERO Cc1cccnc1C[NH2+][C@@H](C)Cc1ccccc1 ZINC000104074464 179382198 /nfs/dbraw/zinc/38/21/98/179382198.db2.gz QALNARRSWXEMJK-AWEZNQCLSA-N 1 0 240.350 3.111 10 0 BGAERO Cc1cccnc1C[NH2+][C@H](C)Cc1ccccc1 ZINC000104074468 179384040 /nfs/dbraw/zinc/38/40/40/179384040.db2.gz QALNARRSWXEMJK-CQSZACIVSA-N 1 0 240.350 3.111 10 0 BGAERO COc1ccc(C[NH2+]C[C@H]2C[C@H]3CC[C@@H]2C3)cc1 ZINC000104094330 187302493 /nfs/dbraw/zinc/30/24/93/187302493.db2.gz LOJODXLNVNAUAA-RRFJBIMHSA-N 1 0 245.366 3.221 10 0 BGAERO CCC[NH2+][C@@H](c1cccc(C)c1)[C@@H]1CCOC1 ZINC000104102868 169280369 /nfs/dbraw/zinc/28/03/69/169280369.db2.gz UZVDRORTEDQMMV-CABCVRRESA-N 1 0 233.355 3.072 10 0 BGAERO CCC[NH2+][C@H](c1cccc(C)c1)[C@@H]1CCOC1 ZINC000104102870 169290522 /nfs/dbraw/zinc/29/05/22/169290522.db2.gz UZVDRORTEDQMMV-HUUCEWRRSA-N 1 0 233.355 3.072 10 0 BGAERO CCC[NH2+][C@@H](c1cccc(C)c1)[C@H]1CCOC1 ZINC000104102875 169281052 /nfs/dbraw/zinc/28/10/52/169281052.db2.gz UZVDRORTEDQMMV-GJZGRUSLSA-N 1 0 233.355 3.072 10 0 BGAERO CCC[NH2+][C@H](c1cccc(C)c1)[C@H]1CCOC1 ZINC000104102878 169290880 /nfs/dbraw/zinc/29/08/80/169290880.db2.gz UZVDRORTEDQMMV-LSDHHAIUSA-N 1 0 233.355 3.072 10 0 BGAERO CCC[NH2+][C@@H](CCc1ccccc1)[C@@H]1CCOC1 ZINC000104104111 169279544 /nfs/dbraw/zinc/27/95/44/169279544.db2.gz WGWZTTMUVZREKN-CVEARBPZSA-N 1 0 247.382 3.024 10 0 BGAERO CCC[NH2+][C@H](CCc1ccccc1)[C@@H]1CCOC1 ZINC000104104115 169289025 /nfs/dbraw/zinc/28/90/25/169289025.db2.gz WGWZTTMUVZREKN-HZPDHXFCSA-N 1 0 247.382 3.024 10 0 BGAERO CCC[NH2+][C@@H](CCc1ccccc1)[C@H]1CCOC1 ZINC000104104119 169279373 /nfs/dbraw/zinc/27/93/73/169279373.db2.gz WGWZTTMUVZREKN-HOTGVXAUSA-N 1 0 247.382 3.024 10 0 BGAERO CCC[NH2+][C@H](CCc1ccccc1)[C@H]1CCOC1 ZINC000104104120 169288846 /nfs/dbraw/zinc/28/88/46/169288846.db2.gz WGWZTTMUVZREKN-JKSUJKDBSA-N 1 0 247.382 3.024 10 0 BGAERO C[NH2+][C@H](c1ccc2ccccc2c1)[C@H]1CCOC1 ZINC000104106715 173457428 /nfs/dbraw/zinc/45/74/28/173457428.db2.gz QBRUSBPVUMSOPS-JKSUJKDBSA-N 1 0 241.334 3.137 10 0 BGAERO CCC(CC)(c1ccccc1)[C@H]([NH3+])[C@@H]1CCOC1 ZINC000104110776 168332007 /nfs/dbraw/zinc/33/20/07/168332007.db2.gz DWXAWKLDPSKYOQ-UKRRQHHQSA-N 1 0 247.382 3.108 10 0 BGAERO CCC(CC)(c1ccccc1)[C@@H]([NH3+])[C@@H]1CCOC1 ZINC000104110778 168332025 /nfs/dbraw/zinc/33/20/25/168332025.db2.gz DWXAWKLDPSKYOQ-HIFRSBDPSA-N 1 0 247.382 3.108 10 0 BGAERO CCC(CC)(c1ccccc1)[C@H]([NH3+])[C@H]1CCOC1 ZINC000104110784 168332393 /nfs/dbraw/zinc/33/23/93/168332393.db2.gz DWXAWKLDPSKYOQ-DZGCQCFKSA-N 1 0 247.382 3.108 10 0 BGAERO CCC(CC)(c1ccccc1)[C@@H]([NH3+])[C@H]1CCOC1 ZINC000104110788 168332816 /nfs/dbraw/zinc/33/28/16/168332816.db2.gz DWXAWKLDPSKYOQ-ZFWWWQNUSA-N 1 0 247.382 3.108 10 0 BGAERO [NH3+]C1([C@@H]2CCOC2)CCC(c2ccccc2)CC1 ZINC000104120601 181332342 /nfs/dbraw/zinc/33/23/42/181332342.db2.gz QPLMRAREFJDZKR-HWOWSKLDSA-N 1 0 245.366 3.078 10 0 BGAERO [NH3+]C1([C@H]2CCOC2)CCC(c2ccccc2)CC1 ZINC000104120604 181332440 /nfs/dbraw/zinc/33/24/40/181332440.db2.gz QPLMRAREFJDZKR-PCKAHOCUSA-N 1 0 245.366 3.078 10 0 BGAERO [NH3+][C@]1([C@@H]2CCOC2)CCCC[C@H]1c1ccccc1 ZINC000104120609 181663221 /nfs/dbraw/zinc/66/32/21/181663221.db2.gz SSQZSWXFPICLHR-PMPSAXMXSA-N 1 0 245.366 3.078 10 0 BGAERO [NH3+][C@]1([C@@H]2CCOC2)CCCC[C@@H]1c1ccccc1 ZINC000104120615 181662979 /nfs/dbraw/zinc/66/29/79/181662979.db2.gz SSQZSWXFPICLHR-OAGGEKHMSA-N 1 0 245.366 3.078 10 0 BGAERO CCC[NH2+]CCCn1ccc2cc(C)ccc21 ZINC000104146231 169258574 /nfs/dbraw/zinc/25/85/74/169258574.db2.gz IFDRRTAUUUHHHH-UHFFFAOYSA-N 1 0 230.355 3.339 10 0 BGAERO CC[NH2+]CCCCn1ccc2cc(C)ccc21 ZINC000104146235 170113073 /nfs/dbraw/zinc/11/30/73/170113073.db2.gz LPPIOIYDRHHZAU-UHFFFAOYSA-N 1 0 230.355 3.339 10 0 BGAERO C[C@@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)CC1 ZINC000104152258 176100543 /nfs/dbraw/zinc/10/05/43/176100543.db2.gz WNZUIBAAKUEHJO-ZBFHGGJFSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@H]1CCC[N@H+](C[C@](C)(O)c2ccccc2)CC1 ZINC000104152263 177100399 /nfs/dbraw/zinc/10/03/99/177100399.db2.gz WNZUIBAAKUEHJO-HOCLYGCPSA-N 1 0 247.382 3.016 10 0 BGAERO Cc1ccc2c(ccn2CCCC[NH2+]C2CC2)c1 ZINC000104153544 178967617 /nfs/dbraw/zinc/96/76/17/178967617.db2.gz IZALHRKLDURDJR-UHFFFAOYSA-N 1 0 242.366 3.482 10 0 BGAERO CCn1c(C[NH2+]C(C)(C)C)nc2cc(F)ccc21 ZINC000104155498 172145268 /nfs/dbraw/zinc/14/52/68/172145268.db2.gz KVBIREUBSFBALF-UHFFFAOYSA-N 1 0 249.333 3.083 10 0 BGAERO CCOc1ccc2[nH+]c(CC)c(C)c(N)c2c1 ZINC000104156296 170570513 /nfs/dbraw/zinc/57/05/13/170570513.db2.gz MGTBNZORYOMREA-UHFFFAOYSA-N 1 0 230.311 3.087 10 0 BGAERO CCc1[nH+]c2c(C)cc(OC)cc2c(N)c1C ZINC000104156307 172008320 /nfs/dbraw/zinc/00/83/20/172008320.db2.gz QVZIGUZUCULXHB-UHFFFAOYSA-N 1 0 230.311 3.005 10 0 BGAERO CC[C@H]([NH2+]C)[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000104157483 171513266 /nfs/dbraw/zinc/51/32/66/171513266.db2.gz NASCFDOGBYQDED-GWCFXTLKSA-N 1 0 239.334 3.011 10 0 BGAERO CC[C@@H]([NH2+]C)[C@@H](C)Cc1ccc(OC)c(F)c1 ZINC000104157487 170888212 /nfs/dbraw/zinc/88/82/12/170888212.db2.gz NASCFDOGBYQDED-GXFFZTMASA-N 1 0 239.334 3.011 10 0 BGAERO CC[C@H]([NH2+]C)[C@H](C)Cc1ccc(OC)c(F)c1 ZINC000104157490 171514206 /nfs/dbraw/zinc/51/42/06/171514206.db2.gz NASCFDOGBYQDED-MFKMUULPSA-N 1 0 239.334 3.011 10 0 BGAERO CC[NH2+][C@@H](c1cccc(C)c1)c1cccc(C)n1 ZINC000104159276 170148604 /nfs/dbraw/zinc/14/86/04/170148604.db2.gz CXAAFLYOTFLUPG-INIZCTEOSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@H](c1cccc(C)c1)c1cccc(C)n1 ZINC000104159279 170164430 /nfs/dbraw/zinc/16/44/30/170164430.db2.gz CXAAFLYOTFLUPG-MRXNPFEDSA-N 1 0 240.350 3.397 10 0 BGAERO CC[NH2+][C@@H](c1cccc(F)c1)c1cccc(C)n1 ZINC000104160066 170148908 /nfs/dbraw/zinc/14/89/08/170148908.db2.gz RBGQZQOCRKOBTH-HNNXBMFYSA-N 1 0 244.313 3.228 10 0 BGAERO CC[NH2+][C@H](c1cccc(F)c1)c1cccc(C)n1 ZINC000104160069 170164347 /nfs/dbraw/zinc/16/43/47/170164347.db2.gz RBGQZQOCRKOBTH-OAHLLOKOSA-N 1 0 244.313 3.228 10 0 BGAERO CCc1[nH+]c2cc(F)c(F)cc2c(NC)c1C ZINC000104161546 172010667 /nfs/dbraw/zinc/01/06/67/172010667.db2.gz ATZIDIPQHMNGCS-UHFFFAOYSA-N 1 0 236.265 3.426 10 0 BGAERO CC[NH2+][C@@H](Cc1ccsc1)c1cccc(C)n1 ZINC000104162394 170146810 /nfs/dbraw/zinc/14/68/10/170146810.db2.gz MRLRWZPLCSWVGI-AWEZNQCLSA-N 1 0 246.379 3.345 10 0 BGAERO CC[NH2+][C@H](Cc1ccsc1)c1cccc(C)n1 ZINC000104162398 170163446 /nfs/dbraw/zinc/16/34/46/170163446.db2.gz MRLRWZPLCSWVGI-CQSZACIVSA-N 1 0 246.379 3.345 10 0 BGAERO CCc1[nH+]c2ccc(OC(C)C)cc2c(N)c1C ZINC000104163587 172012189 /nfs/dbraw/zinc/01/21/89/172012189.db2.gz OVEQWCHBIYDJGT-UHFFFAOYSA-N 1 0 244.338 3.475 10 0 BGAERO Cc1cccc([C@H]([NH3+])CCCc2ccccc2)n1 ZINC000104164415 179200407 /nfs/dbraw/zinc/20/04/07/179200407.db2.gz OXKAKCOEKSXLRS-OAHLLOKOSA-N 1 0 240.350 3.413 10 0 BGAERO Cc1cccc([C@@H]([NH3+])CCCc2ccccc2)n1 ZINC000104164419 179185358 /nfs/dbraw/zinc/18/53/58/179185358.db2.gz OXKAKCOEKSXLRS-HNNXBMFYSA-N 1 0 240.350 3.413 10 0 BGAERO COc1ccc2[nH]c(C[NH2+]C(C)(C)C)cc2c1 ZINC000104168322 175201567 /nfs/dbraw/zinc/20/15/67/175201567.db2.gz OKTQXEWACNAYHG-UHFFFAOYSA-N 1 0 232.327 3.065 10 0 BGAERO CCC[C@](C)([NH3+])CN1C[C@H](C)Cc2ccccc21 ZINC000104169748 132435870 /nfs/dbraw/zinc/43/58/70/132435870.db2.gz SFXCMRSVHLHLKW-CJNGLKHVSA-N 1 0 246.398 3.203 10 0 BGAERO [NH2+]=C1c2ccccc2CN1CCC1CCCC1 ZINC000104174858 181208124 /nfs/dbraw/zinc/20/81/24/181208124.db2.gz XNBPNKGPWMCNDA-UHFFFAOYSA-N 1 0 228.339 3.408 10 0 BGAERO CCn1c(C[NH2+]C(C)(C)C)nc2c1cccc2F ZINC000104187487 172144125 /nfs/dbraw/zinc/14/41/25/172144125.db2.gz NERPVXAGHJHZDU-UHFFFAOYSA-N 1 0 249.333 3.083 10 0 BGAERO Cc1ccc(-c2nc3c(cccc3N)[nH]2)c(C)c1 ZINC000104199341 178337195 /nfs/dbraw/zinc/33/71/95/178337195.db2.gz NGUXAUZWDLQBDP-UHFFFAOYSA-N 1 0 237.306 3.429 10 0 BGAERO CCC[NH2+]Cc1c(C)nc([C@@H](C)CC)nc1C ZINC000104220882 169265438 /nfs/dbraw/zinc/26/54/38/169265438.db2.gz DOPRPMDMJKBYBR-JTQLQIEISA-N 1 0 235.375 3.107 10 0 BGAERO CCC[NH2+]Cc1c(C)nc([C@H](C)CC)nc1C ZINC000104220885 169266006 /nfs/dbraw/zinc/26/60/06/169266006.db2.gz DOPRPMDMJKBYBR-SNVBAGLBSA-N 1 0 235.375 3.107 10 0 BGAERO CC[C@H](C)c1nc(C)c(C[NH2+]CC(C)C)c(C)n1 ZINC000104222388 171413551 /nfs/dbraw/zinc/41/35/51/171413551.db2.gz MRSKEAQHYAVMLF-NSHDSACASA-N 1 0 249.402 3.353 10 0 BGAERO CCC[NH2+][C@@H](C)[C@@H](C)c1nc([C@@H](C)CC)no1 ZINC000104224239 169276169 /nfs/dbraw/zinc/27/61/69/169276169.db2.gz AKYMHSFHFOSMJC-AXFHLTTASA-N 1 0 239.363 3.075 10 0 BGAERO CCC[NH2+][C@H](C)[C@@H](C)c1nc([C@@H](C)CC)no1 ZINC000104224243 169285891 /nfs/dbraw/zinc/28/58/91/169285891.db2.gz AKYMHSFHFOSMJC-HBNTYKKESA-N 1 0 239.363 3.075 10 0 BGAERO CCC[NH2+][C@@H](C)[C@H](C)c1nc([C@@H](C)CC)no1 ZINC000104224248 169275615 /nfs/dbraw/zinc/27/56/15/169275615.db2.gz AKYMHSFHFOSMJC-DCAQKATOSA-N 1 0 239.363 3.075 10 0 BGAERO CCC[NH2+][C@H](C)[C@H](C)c1nc([C@@H](C)CC)no1 ZINC000104224253 169286510 /nfs/dbraw/zinc/28/65/10/169286510.db2.gz AKYMHSFHFOSMJC-GARJFASQSA-N 1 0 239.363 3.075 10 0 BGAERO CC[NH2+][C@H](CC)[C@H](C)c1nc([C@H](C)CC)no1 ZINC000104225803 170161899 /nfs/dbraw/zinc/16/18/99/170161899.db2.gz JWUUGUSJVHZHFF-OUAUKWLOSA-N 1 0 239.363 3.075 10 0 BGAERO CC[NH2+][C@H](CC)[C@H](C)c1nc([C@@H](C)CC)no1 ZINC000104225809 170161638 /nfs/dbraw/zinc/16/16/38/170161638.db2.gz JWUUGUSJVHZHFF-GARJFASQSA-N 1 0 239.363 3.075 10 0 BGAERO CC[NH2+][C@H](CC)[C@@H](C)c1nc([C@H](C)CC)no1 ZINC000104225813 170160734 /nfs/dbraw/zinc/16/07/34/170160734.db2.gz JWUUGUSJVHZHFF-GMTAPVOTSA-N 1 0 239.363 3.075 10 0 BGAERO CC[NH2+][C@H](CC)[C@@H](C)c1nc([C@@H](C)CC)no1 ZINC000104225816 170161142 /nfs/dbraw/zinc/16/11/42/170161142.db2.gz JWUUGUSJVHZHFF-HBNTYKKESA-N 1 0 239.363 3.075 10 0 BGAERO CC[NH2+][C@H](C1=CCCC1)c1ccc2c(c1)COC2 ZINC000104228309 170161236 /nfs/dbraw/zinc/16/12/36/170161236.db2.gz QDJKTGOZKFDXKO-MRXNPFEDSA-N 1 0 243.350 3.478 10 0 BGAERO CC[NH2+][C@@H](C1=CCCC1)c1ccc2c(c1)COC2 ZINC000104228315 170143320 /nfs/dbraw/zinc/14/33/20/170143320.db2.gz QDJKTGOZKFDXKO-INIZCTEOSA-N 1 0 243.350 3.478 10 0 BGAERO C[C@@H]1CCC[C@]([NH3+])(c2nc3ccc(F)cc3o2)C1 ZINC000104234230 176151937 /nfs/dbraw/zinc/15/19/37/176151937.db2.gz KGUYVHJCUGPFKJ-YMTOWFKASA-N 1 0 248.301 3.331 10 0 BGAERO C[C@H]1CCC[C@]([NH3+])(c2nc3ccc(F)cc3o2)C1 ZINC000104234233 177143594 /nfs/dbraw/zinc/14/35/94/177143594.db2.gz KGUYVHJCUGPFKJ-LKFCYVNXSA-N 1 0 248.301 3.331 10 0 BGAERO C[C@@H]1CCC[C@@]([NH3+])(c2nc3ccc(F)cc3o2)C1 ZINC000104234239 176133568 /nfs/dbraw/zinc/13/35/68/176133568.db2.gz KGUYVHJCUGPFKJ-OTYXRUKQSA-N 1 0 248.301 3.331 10 0 BGAERO C[C@H]1CCC[C@@]([NH3+])(c2nc3ccc(F)cc3o2)C1 ZINC000104234241 177127337 /nfs/dbraw/zinc/12/73/37/177127337.db2.gz KGUYVHJCUGPFKJ-XPTSAGLGSA-N 1 0 248.301 3.331 10 0 BGAERO [NH3+]C1(c2nc3ccc(F)cc3o2)CCCCCC1 ZINC000104240165 181335471 /nfs/dbraw/zinc/33/54/71/181335471.db2.gz KGMUWBJEARIXIL-UHFFFAOYSA-N 1 0 248.301 3.475 10 0 BGAERO CCc1ccc(C[NH2+]C[C@@H]2C[C@H]3CC[C@@H]2C3)o1 ZINC000104248398 171806980 /nfs/dbraw/zinc/80/69/80/171806980.db2.gz ZVMKMHQWQABGCE-XQQFMLRXSA-N 1 0 233.355 3.368 10 0 BGAERO NC(=[NH2+])c1cc(F)ccc1Sc1ccccc1 ZINC000104249011 181193995 /nfs/dbraw/zinc/19/39/95/181193995.db2.gz QNSGINWKIQUWKR-UHFFFAOYSA-N 1 0 246.310 3.261 10 0 BGAERO COc1cc(NC[C@H]2C[C@H]3CC[C@@H]2C3)ccc1N ZINC000104251188 175002638 /nfs/dbraw/zinc/00/26/38/175002638.db2.gz OMWBUOPRMJOCJA-QJPTWQEYSA-N 1 0 246.354 3.126 10 0 BGAERO CCCCN(CC)c1ccccc1C[C@@H](C)[NH3+] ZINC000104254331 168804299 /nfs/dbraw/zinc/80/42/99/168804299.db2.gz IMIMELGKDOHIIF-CYBMUJFWSA-N 1 0 234.387 3.203 10 0 BGAERO c1csc(CC[NH2+][C@H]2C[C@H]2c2ccccc2)c1 ZINC000104255569 183428430 /nfs/dbraw/zinc/42/84/30/183428430.db2.gz FUNSHTHGRZEZFK-GJZGRUSLSA-N 1 0 243.375 3.436 10 0 BGAERO CC[C@H](C)CN(C)c1ccccc1C[C@@H](C)[NH3+] ZINC000104256418 171275427 /nfs/dbraw/zinc/27/54/27/171275427.db2.gz UKNGTZBZSWLOCD-QWHCGFSZSA-N 1 0 234.387 3.059 10 0 BGAERO CC[C@@H]([NH3+])Cc1ccc(N(C)[C@@H](C)C2CC2)cc1 ZINC000104256456 170866471 /nfs/dbraw/zinc/86/64/71/170866471.db2.gz HVEJRELOOOOSFR-SWLSCSKDSA-N 1 0 246.398 3.201 10 0 BGAERO [NH3+][C@H](CCc1cccs1)Cc1ccc(F)cc1 ZINC000104257633 181615775 /nfs/dbraw/zinc/61/57/75/181615775.db2.gz KFCMTXKEPAEEEN-CYBMUJFWSA-N 1 0 249.354 3.390 10 0 BGAERO CCC[C@@H](C)N(C)c1ccc(CC[NH3+])cc1C ZINC000104258146 169366145 /nfs/dbraw/zinc/36/61/45/169366145.db2.gz AJHUXGFHGPIZHF-CYBMUJFWSA-N 1 0 234.387 3.121 10 0 BGAERO C[C@H]([NH3+])Cc1ccccc1N(C)C1CCCCC1 ZINC000104258318 176762303 /nfs/dbraw/zinc/76/23/03/176762303.db2.gz SVAPPNNPFHNAAO-ZDUSSCGKSA-N 1 0 246.398 3.345 10 0 BGAERO C[C@@H]([NH3+])Cc1ccccc1N(C)C1CCCCC1 ZINC000104258322 175807362 /nfs/dbraw/zinc/80/73/62/175807362.db2.gz SVAPPNNPFHNAAO-CYBMUJFWSA-N 1 0 246.398 3.345 10 0 BGAERO C[C@H]([NH3+])Cc1ccc(N(C)C2CCCCC2)cc1 ZINC000104258327 176761792 /nfs/dbraw/zinc/76/17/92/176761792.db2.gz MNQMRIHAJJTVRS-ZDUSSCGKSA-N 1 0 246.398 3.345 10 0 BGAERO CC[C@H](C)CN(C)c1ccc(C[C@@H](C)[NH3+])cc1C ZINC000104258401 171276012 /nfs/dbraw/zinc/27/60/12/171276012.db2.gz BUJLIYGDGLOVRG-GXTWGEPZSA-N 1 0 248.414 3.367 10 0 BGAERO [NH3+]C1(CCc2cccs2)Cc2ccccc2C1 ZINC000104263066 181330498 /nfs/dbraw/zinc/33/04/98/181330498.db2.gz XIZWGGRYNSOLRN-UHFFFAOYSA-N 1 0 243.375 3.177 10 0 BGAERO CCC[C@@H](C)N(C)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000104263800 169366564 /nfs/dbraw/zinc/36/65/64/169366564.db2.gz NLHSLPFQSNYQSD-CHWSQXEVSA-N 1 0 234.387 3.201 10 0 BGAERO [NH2+]=C(NCc1cc(F)ccc1F)c1ccccc1 ZINC000104264323 181198774 /nfs/dbraw/zinc/19/87/74/181198774.db2.gz GYDMKSYWLHGIHR-UHFFFAOYSA-N 1 0 246.260 3.080 10 0 BGAERO Cc1cccc(N(C)c2ccccc2CC[NH3+])c1 ZINC000104267149 179117180 /nfs/dbraw/zinc/11/71/80/179117180.db2.gz PJNYXMYXYIZZIA-UHFFFAOYSA-N 1 0 240.350 3.264 10 0 BGAERO C[C@@H]1CCCC[C@@H]1N(C)c1ccccc1CC[NH3+] ZINC000104267193 176079007 /nfs/dbraw/zinc/07/90/07/176079007.db2.gz UTZHCUINTLHSBN-HIFRSBDPSA-N 1 0 246.398 3.203 10 0 BGAERO C[C@H]1CCCC[C@@H]1N(C)c1ccccc1CC[NH3+] ZINC000104267198 177081724 /nfs/dbraw/zinc/08/17/24/177081724.db2.gz UTZHCUINTLHSBN-ZFWWWQNUSA-N 1 0 246.398 3.203 10 0 BGAERO C[C@@H]1CCCC[C@H]1N(C)c1ccccc1CC[NH3+] ZINC000104267206 176086516 /nfs/dbraw/zinc/08/65/16/176086516.db2.gz UTZHCUINTLHSBN-UKRRQHHQSA-N 1 0 246.398 3.203 10 0 BGAERO C[C@H]1CCCC[C@H]1N(C)c1ccccc1CC[NH3+] ZINC000104267211 177086780 /nfs/dbraw/zinc/08/67/80/177086780.db2.gz UTZHCUINTLHSBN-DZGCQCFKSA-N 1 0 246.398 3.203 10 0 BGAERO Cc1cc(N(C)C2CCCC2)ccc1C[C@@H](C)[NH3+] ZINC000104267314 178097039 /nfs/dbraw/zinc/09/70/39/178097039.db2.gz HOHZUNWMTGFQQQ-CYBMUJFWSA-N 1 0 246.398 3.264 10 0 BGAERO Cc1cc(N(C)C2CCCC2)ccc1C[C@H](C)[NH3+] ZINC000104267316 178097649 /nfs/dbraw/zinc/09/76/49/178097649.db2.gz HOHZUNWMTGFQQQ-ZDUSSCGKSA-N 1 0 246.398 3.264 10 0 BGAERO Cc1cc(N2CCCC2(C)C)ccc1C[C@@H](C)[NH3+] ZINC000104267379 178112214 /nfs/dbraw/zinc/11/22/14/178112214.db2.gz PRNHPHBEIOFQTO-CYBMUJFWSA-N 1 0 246.398 3.264 10 0 BGAERO Cc1cc(N2CCCC2(C)C)ccc1C[C@H](C)[NH3+] ZINC000104267382 178112165 /nfs/dbraw/zinc/11/21/65/178112165.db2.gz PRNHPHBEIOFQTO-ZDUSSCGKSA-N 1 0 246.398 3.264 10 0 BGAERO Cc1cc(N(C)[C@@H](C)C(C)(C)C)ccc1CC[NH3+] ZINC000104270846 178100585 /nfs/dbraw/zinc/10/05/85/178100585.db2.gz UYQXHJHMAZMISV-ZDUSSCGKSA-N 1 0 248.414 3.367 10 0 BGAERO Cc1cc(N(C)[C@H](C)C(C)(C)C)ccc1CC[NH3+] ZINC000104270850 178100496 /nfs/dbraw/zinc/10/04/96/178100496.db2.gz UYQXHJHMAZMISV-CYBMUJFWSA-N 1 0 248.414 3.367 10 0 BGAERO C[C@H](N(C)c1ccccc1CC[NH3+])C(C)(C)C ZINC000104270856 176746081 /nfs/dbraw/zinc/74/60/81/176746081.db2.gz GWIRHOIATJCWKU-LBPRGKRZSA-N 1 0 234.387 3.059 10 0 BGAERO CCC(CC)CN(CC)c1ccc(CC[NH3+])cc1 ZINC000104270876 168349800 /nfs/dbraw/zinc/34/98/00/168349800.db2.gz ITXUWWOCQTXUOJ-UHFFFAOYSA-N 1 0 248.414 3.450 10 0 BGAERO Fc1ccc(CC[NH2+]CCc2cccs2)cc1 ZINC000104271874 180964022 /nfs/dbraw/zinc/96/40/22/180964022.db2.gz ISXCWSPHAYVGMQ-UHFFFAOYSA-N 1 0 249.354 3.262 10 0 BGAERO C[NH2+][C@H](CCc1cccs1)c1ncccc1C ZINC000104271925 173452855 /nfs/dbraw/zinc/45/28/55/173452855.db2.gz VKIKHOWCXGGIMQ-CYBMUJFWSA-N 1 0 246.379 3.345 10 0 BGAERO CCC(CC)N(C)c1ccc(CC[NH3+])c(C)c1 ZINC000104272311 168369222 /nfs/dbraw/zinc/36/92/22/168369222.db2.gz ONLSRGNVAPNNRI-UHFFFAOYSA-N 1 0 234.387 3.121 10 0 BGAERO CC[C@@H]([NH3+])Cc1ccccc1N1CCC[C@H]1CC ZINC000104272430 170865913 /nfs/dbraw/zinc/86/59/13/170865913.db2.gz OHRDYQMYHXRAGQ-HUUCEWRRSA-N 1 0 246.398 3.345 10 0 BGAERO Fc1ccc(F)c(C[NH2+][C@@H]2C[C@H]3CC=C[C@@H]32)c1 ZINC000104273095 180973602 /nfs/dbraw/zinc/97/36/02/180973602.db2.gz GVECJJFKIDMVKK-LJWDBELGSA-N 1 0 235.277 3.019 10 0 BGAERO CC[C@@H]([NH3+])Cc1ccc(N2CCC[C@H]2CC)cc1 ZINC000104274273 170866260 /nfs/dbraw/zinc/86/62/60/170866260.db2.gz MNCRDGFTVFZRTI-HUUCEWRRSA-N 1 0 246.398 3.345 10 0 BGAERO CC[C@@H]([NH3+])Cc1ccc(N2CCC[C@@H]2CC)cc1 ZINC000104274279 171621878 /nfs/dbraw/zinc/62/18/78/171621878.db2.gz MNCRDGFTVFZRTI-CABCVRRESA-N 1 0 246.398 3.345 10 0 BGAERO CCCC1CCN(c2ccc(CC[NH3+])cc2)CC1 ZINC000104276042 132435479 /nfs/dbraw/zinc/43/54/79/132435479.db2.gz OWAHYIBVVWCGAL-UHFFFAOYSA-N 1 0 246.398 3.204 10 0 BGAERO CC(C)CCN(C)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000104276506 166833113 /nfs/dbraw/zinc/83/31/13/166833113.db2.gz STRYQMRRACCOEG-CYBMUJFWSA-N 1 0 234.387 3.059 10 0 BGAERO Fc1cccc(CC[NH2+]CCc2cccs2)c1 ZINC000104279564 180995348 /nfs/dbraw/zinc/99/53/48/180995348.db2.gz ADISNIFLKNXWJD-UHFFFAOYSA-N 1 0 249.354 3.262 10 0 BGAERO Cc1ccccc1N(C)c1ccc(CC[NH3+])cc1 ZINC000104280194 179294595 /nfs/dbraw/zinc/29/45/95/179294595.db2.gz JOWKCKZPBKVRJQ-UHFFFAOYSA-N 1 0 240.350 3.264 10 0 BGAERO CCCN(CCC)c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000104280261 169152775 /nfs/dbraw/zinc/15/27/75/169152775.db2.gz JXRXLDACUNCRNA-CYBMUJFWSA-N 1 0 234.387 3.203 10 0 BGAERO CCCN(CCC)c1ccc(C[C@H](C)[NH3+])cc1 ZINC000104280265 169152975 /nfs/dbraw/zinc/15/29/75/169152975.db2.gz JXRXLDACUNCRNA-ZDUSSCGKSA-N 1 0 234.387 3.203 10 0 BGAERO CCCN(c1ccc(C[C@@H](C)[NH3+])c(C)c1)C1CC1 ZINC000104280334 169182352 /nfs/dbraw/zinc/18/23/52/169182352.db2.gz WWBCPGWEQMJNLO-CYBMUJFWSA-N 1 0 246.398 3.264 10 0 BGAERO CCCN(c1ccc(C[C@H](C)[NH3+])c(C)c1)C1CC1 ZINC000104280339 169183013 /nfs/dbraw/zinc/18/30/13/169183013.db2.gz WWBCPGWEQMJNLO-ZDUSSCGKSA-N 1 0 246.398 3.264 10 0 BGAERO CCCN(c1ccc(CC[NH3+])c(C)c1)C(C)C ZINC000104281883 169182734 /nfs/dbraw/zinc/18/27/34/169182734.db2.gz DTKMZIQYSPQXNL-UHFFFAOYSA-N 1 0 234.387 3.121 10 0 BGAERO CC1CCC(N(C)c2ccccc2CC[NH3+])CC1 ZINC000104282019 168159107 /nfs/dbraw/zinc/15/91/07/168159107.db2.gz RRLCPLVYDTUCOR-UHFFFAOYSA-N 1 0 246.398 3.203 10 0 BGAERO CCCN(CC)c1ccccc1C[C@H]([NH3+])CC ZINC000104282098 169133748 /nfs/dbraw/zinc/13/37/48/169133748.db2.gz YLKDQPAQDMPBIM-CQSZACIVSA-N 1 0 234.387 3.203 10 0 BGAERO CCCN(CC)c1ccccc1C[C@@H]([NH3+])CC ZINC000104282103 169133634 /nfs/dbraw/zinc/13/36/34/169133634.db2.gz YLKDQPAQDMPBIM-AWEZNQCLSA-N 1 0 234.387 3.203 10 0 BGAERO CCCN(CC)c1ccc(C[C@H]([NH3+])CC)cc1 ZINC000104282119 169133328 /nfs/dbraw/zinc/13/33/28/169133328.db2.gz IBRDWIXQWJSAQP-CQSZACIVSA-N 1 0 234.387 3.203 10 0 BGAERO CCCN(CC)c1ccc(C[C@@H]([NH3+])CC)cc1 ZINC000104282125 169134068 /nfs/dbraw/zinc/13/40/68/169134068.db2.gz IBRDWIXQWJSAQP-AWEZNQCLSA-N 1 0 234.387 3.203 10 0 BGAERO CCCn1nc(C)c(-c2ccc(C[NH3+])cc2)c1C ZINC000104284906 487970850 /nfs/dbraw/zinc/97/08/50/487970850.db2.gz FKBMCNACTTWRED-UHFFFAOYSA-N 1 0 243.354 3.036 10 0 BGAERO CCCSc1nc2ccccc2cc1CC[NH3+] ZINC000104285412 169342092 /nfs/dbraw/zinc/34/20/92/169342092.db2.gz MPSJMVHKLJOJDL-UHFFFAOYSA-N 1 0 246.379 3.238 10 0 BGAERO C[NH2+]Cc1cc2ccccc2nc1SC(C)C ZINC000104288649 173388023 /nfs/dbraw/zinc/38/80/23/173388023.db2.gz FEBCMCQMIMQXOA-UHFFFAOYSA-N 1 0 246.379 3.455 10 0 BGAERO [NH3+]CCc1ccccc1Oc1cccc(F)c1 ZINC000104290233 181412692 /nfs/dbraw/zinc/41/26/92/181412692.db2.gz ANJWVZYCHYNXPE-UHFFFAOYSA-N 1 0 231.270 3.119 10 0 BGAERO CC[NH2+]Cc1cc2ccccc2nc1SCC ZINC000104290792 170126976 /nfs/dbraw/zinc/12/69/76/170126976.db2.gz SOCYHOJWIJNEAX-UHFFFAOYSA-N 1 0 246.379 3.456 10 0 BGAERO Cc1ccccc1Oc1ccc(CC[NH3+])cc1F ZINC000104295120 179314642 /nfs/dbraw/zinc/31/46/42/179314642.db2.gz OBDQRBHUXVCIPM-UHFFFAOYSA-N 1 0 245.297 3.428 10 0 BGAERO Cc1ccccc1Oc1ccccc1CC[NH3+] ZINC000104295124 179313832 /nfs/dbraw/zinc/31/38/32/179313832.db2.gz AUSBDIPPMLAFLL-UHFFFAOYSA-N 1 0 227.307 3.289 10 0 BGAERO [NH3+]CCc1ccccc1Oc1cc(F)ccc1F ZINC000104297627 181412816 /nfs/dbraw/zinc/41/28/16/181412816.db2.gz XCUNKLKUGSBQMX-UHFFFAOYSA-N 1 0 249.260 3.258 10 0 BGAERO C[NH2+]Cc1ccc(Sc2ccccn2)c(C)c1 ZINC000104298313 188151229 /nfs/dbraw/zinc/15/12/29/188151229.db2.gz SRDHCFFAWAWBMP-UHFFFAOYSA-N 1 0 244.363 3.261 10 0 BGAERO Cc1cc(SCc2ccco2)ccc1CC[NH3+] ZINC000104299957 178218617 /nfs/dbraw/zinc/21/86/17/178218617.db2.gz HXVYJKLPWMGFEU-UHFFFAOYSA-N 1 0 247.363 3.382 10 0 BGAERO Cc1cc(Oc2cccnc2)ccc1C[C@@H](C)[NH3+] ZINC000104300030 178215373 /nfs/dbraw/zinc/21/53/73/178215373.db2.gz NLXCPYUTVFPBKW-GFCCVEGCSA-N 1 0 242.322 3.072 10 0 BGAERO Cc1cc(Oc2cccnc2)ccc1C[C@H](C)[NH3+] ZINC000104300033 178215805 /nfs/dbraw/zinc/21/58/05/178215805.db2.gz NLXCPYUTVFPBKW-LBPRGKRZSA-N 1 0 242.322 3.072 10 0 BGAERO Cc1cc(Oc2ccccc2F)ccc1CC[NH3+] ZINC000104300063 178215556 /nfs/dbraw/zinc/21/55/56/178215556.db2.gz VCACTVLIMFIESU-UHFFFAOYSA-N 1 0 245.297 3.428 10 0 BGAERO [NH3+]CCc1ccccc1Oc1cccc(F)c1F ZINC000104300095 181412739 /nfs/dbraw/zinc/41/27/39/181412739.db2.gz CLOYBMBXNRSUCO-UHFFFAOYSA-N 1 0 249.260 3.258 10 0 BGAERO CC[NH2+]Cc1ccc(Sc2ccccn2)cc1 ZINC000104301740 170127690 /nfs/dbraw/zinc/12/76/90/170127690.db2.gz ATRNIFOFAJBXBB-UHFFFAOYSA-N 1 0 244.363 3.342 10 0 BGAERO CC(C)Sc1nc2ccccc2cc1CC[NH3+] ZINC000104302062 167338348 /nfs/dbraw/zinc/33/83/48/167338348.db2.gz JIQUVGDGGSIFMN-UHFFFAOYSA-N 1 0 246.379 3.237 10 0 BGAERO C[NH2+]Cc1cc(F)ccc1Sc1ccccn1 ZINC000104302821 173387148 /nfs/dbraw/zinc/38/71/48/173387148.db2.gz VNPDPGPEXMISIT-UHFFFAOYSA-N 1 0 248.326 3.091 10 0 BGAERO [NH3+][C@@H](CSc1ccc(O)cc1)c1ccccc1 ZINC000104306166 188151467 /nfs/dbraw/zinc/15/14/67/188151467.db2.gz QSASBOIUGGCVJV-AWEZNQCLSA-N 1 0 245.347 3.184 10 0 BGAERO CCn1c(C[NH2+]C(C)(C)C)nc2cc(C)ccc21 ZINC000104306247 172144585 /nfs/dbraw/zinc/14/45/85/172144585.db2.gz ZXNPRRIPNYLKCE-UHFFFAOYSA-N 1 0 245.370 3.253 10 0 BGAERO Cc1cccc(Nc2ccccc2[C@@H](C)[NH3+])n1 ZINC000104315463 179159624 /nfs/dbraw/zinc/15/96/24/179159624.db2.gz BHIJSSGBJRDQAH-LLVKDONJSA-N 1 0 227.311 3.153 10 0 BGAERO Cc1cccc(Nc2ccccc2[C@H](C)[NH3+])n1 ZINC000104315468 179159605 /nfs/dbraw/zinc/15/96/05/179159605.db2.gz BHIJSSGBJRDQAH-NSHDSACASA-N 1 0 227.311 3.153 10 0 BGAERO CCOCCC[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104316242 170380771 /nfs/dbraw/zinc/38/07/71/170380771.db2.gz GMPLSYJVQYPOBI-HNNXBMFYSA-N 1 0 247.382 3.123 10 0 BGAERO CCOCCC[NH2+]C[C@H]1CCCc2ccccc21 ZINC000104316245 170380568 /nfs/dbraw/zinc/38/05/68/170380568.db2.gz GMPLSYJVQYPOBI-OAHLLOKOSA-N 1 0 247.382 3.123 10 0 BGAERO CCC(CC)[N@H+](CCN)Cc1cc(C)cc(C)c1 ZINC000104318471 168372322 /nfs/dbraw/zinc/37/23/22/168372322.db2.gz APZSXPZXRZHDRZ-UHFFFAOYSA-N 1 0 248.414 3.253 10 0 BGAERO CC(C)C[C@@H](C[NH3+])Nc1nc2ccccc2s1 ZINC000104319555 191118447 /nfs/dbraw/zinc/11/84/47/191118447.db2.gz NTZBMXVOVDIRFF-JTQLQIEISA-N 1 0 249.383 3.082 10 0 BGAERO CC(C)C[C@H](C[NH3+])Nc1nc2ccccc2s1 ZINC000104319557 384680007 /nfs/dbraw/zinc/68/00/07/384680007.db2.gz NTZBMXVOVDIRFF-SNVBAGLBSA-N 1 0 249.383 3.082 10 0 BGAERO CCC(CC)[N@H+](CCN)Cc1ccc(C)c(C)c1 ZINC000104319600 168372357 /nfs/dbraw/zinc/37/23/57/168372357.db2.gz BXZDQPFTWBCHJZ-UHFFFAOYSA-N 1 0 248.414 3.253 10 0 BGAERO COCCCC[NH2+]C[C@@H]1CCCc2ccccc21 ZINC000104323539 174199869 /nfs/dbraw/zinc/19/98/69/174199869.db2.gz QGXSYKXKWVWUQV-HNNXBMFYSA-N 1 0 247.382 3.123 10 0 BGAERO COCCCC[NH2+]C[C@H]1CCCc2ccccc21 ZINC000104323543 174200080 /nfs/dbraw/zinc/20/00/80/174200080.db2.gz QGXSYKXKWVWUQV-OAHLLOKOSA-N 1 0 247.382 3.123 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1-c1ccccn1 ZINC000104329215 170142044 /nfs/dbraw/zinc/14/20/44/170142044.db2.gz UMKDRZGNUPZZLX-LBPRGKRZSA-N 1 0 226.323 3.419 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1-c1ccccn1 ZINC000104329220 170160093 /nfs/dbraw/zinc/16/00/93/170160093.db2.gz UMKDRZGNUPZZLX-GFCCVEGCSA-N 1 0 226.323 3.419 10 0 BGAERO CC[NH2+][C@@H](C)c1cccc(-c2ccccn2)c1 ZINC000104329223 170142288 /nfs/dbraw/zinc/14/22/88/170142288.db2.gz CCNGJFKNMDAOHB-LBPRGKRZSA-N 1 0 226.323 3.419 10 0 BGAERO CC[NH2+][C@H](C)c1cccc(-c2ccccn2)c1 ZINC000104329226 170158945 /nfs/dbraw/zinc/15/89/45/170158945.db2.gz CCNGJFKNMDAOHB-GFCCVEGCSA-N 1 0 226.323 3.419 10 0 BGAERO CC(C)[NH2+]Cc1ccc(F)c(-c2ccccn2)c1 ZINC000104329229 167119206 /nfs/dbraw/zinc/11/92/06/167119206.db2.gz JTPCJEGVCGNXOV-UHFFFAOYSA-N 1 0 244.313 3.386 10 0 BGAERO CCC[N@H+]([C@@H]1CCCNC1)[C@@H]1CCC[C@H](C)C1 ZINC000104331914 169181992 /nfs/dbraw/zinc/18/19/92/169181992.db2.gz RWFARCDJBMIVML-RRFJBIMHSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[N@H+]([C@@H]1CCCNC1)[C@H]1CCC[C@H](C)C1 ZINC000104331917 169180540 /nfs/dbraw/zinc/18/05/40/169180540.db2.gz RWFARCDJBMIVML-SOUVJXGZSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[N@H+]([C@@H](C)C1CCCC1)[C@@H]1CCCNC1 ZINC000104335050 169181250 /nfs/dbraw/zinc/18/12/50/169181250.db2.gz DFDMYLVXGJQAMA-DZGCQCFKSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[N@H+]([C@@H](C)C1CCCC1)[C@H]1CCCNC1 ZINC000104335055 169180349 /nfs/dbraw/zinc/18/03/49/169180349.db2.gz DFDMYLVXGJQAMA-ZFWWWQNUSA-N 1 0 238.419 3.029 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(C)cc1OCC(F)F ZINC000104336455 170141901 /nfs/dbraw/zinc/14/19/01/170141901.db2.gz XPMANNGFMWVTBR-JTQLQIEISA-N 1 0 243.297 3.309 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(C)cc1OCC(F)F ZINC000104336458 170159391 /nfs/dbraw/zinc/15/93/91/170159391.db2.gz XPMANNGFMWVTBR-SNVBAGLBSA-N 1 0 243.297 3.309 10 0 BGAERO CCC[N@H+]([C@@H](C)CCC(C)C)[C@@H]1CCCNC1 ZINC000104340994 169181476 /nfs/dbraw/zinc/18/14/76/169181476.db2.gz UELFHVBKKHIBCZ-LSDHHAIUSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[N@H+]([C@@H](C)CCC(C)C)[C@H]1CCCNC1 ZINC000104340997 169180897 /nfs/dbraw/zinc/18/08/97/169180897.db2.gz UELFHVBKKHIBCZ-GJZGRUSLSA-N 1 0 240.435 3.275 10 0 BGAERO Cc1ccc([C@@H](C)[NH3+])c(OCc2cscn2)c1 ZINC000104345078 178834911 /nfs/dbraw/zinc/83/49/11/178834911.db2.gz GTHRMPDNAGBRSD-SNVBAGLBSA-N 1 0 248.351 3.050 10 0 BGAERO Cc1[nH+]c(-c2ccc(C)c(F)c2)c(N)n1C1CC1 ZINC000104345263 178332628 /nfs/dbraw/zinc/33/26/28/178332628.db2.gz NRRCVUFWCDXICF-UHFFFAOYSA-N 1 0 245.301 3.223 10 0 BGAERO CCOC(CC[N@H+](CC(C)C)C(C)C)OCC ZINC000104347326 170314634 /nfs/dbraw/zinc/31/46/34/170314634.db2.gz BSQUMZSJMSURHS-UHFFFAOYSA-N 1 0 245.407 3.142 10 0 BGAERO CN(CC1CCCC1)C(=[NH2+])Nc1ccccc1 ZINC000104347947 172656510 /nfs/dbraw/zinc/65/65/10/172656510.db2.gz CDEXNYZSUXRYOK-UHFFFAOYSA-N 1 0 231.343 3.155 10 0 BGAERO C[C@@H]1CCC[N@@H+](C2(CN)CCCCCC2)CC1 ZINC000104348863 176096471 /nfs/dbraw/zinc/09/64/71/176096471.db2.gz UACISQMUZQNAJX-CQSZACIVSA-N 1 0 238.419 3.160 10 0 BGAERO C[C@H]1CCC[N@@H+](C2(CN)CCCCCC2)CC1 ZINC000104348864 177095861 /nfs/dbraw/zinc/09/58/61/177095861.db2.gz UACISQMUZQNAJX-AWEZNQCLSA-N 1 0 238.419 3.160 10 0 BGAERO C[C@@H]1CCCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000104349002 176097607 /nfs/dbraw/zinc/09/76/07/176097607.db2.gz ZSZVFAQUXWXARD-CQSZACIVSA-N 1 0 240.435 3.134 10 0 BGAERO C[C@H]1CCCN(CC[NH2+]CCC(C)(C)C)CC1 ZINC000104349004 177097048 /nfs/dbraw/zinc/09/70/48/177097048.db2.gz ZSZVFAQUXWXARD-AWEZNQCLSA-N 1 0 240.435 3.134 10 0 BGAERO CCC[C@@H]([NH2+]C)[C@@H](CC)N(C)CC1CCCC1 ZINC000104349191 169399762 /nfs/dbraw/zinc/39/97/62/169399762.db2.gz YXDCUJZWXPZPAM-HUUCEWRRSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[C@@H]([NH2+]C)[C@H](CC)N(C)CC1CCCC1 ZINC000104349202 169399388 /nfs/dbraw/zinc/39/93/88/169399388.db2.gz YXDCUJZWXPZPAM-CABCVRRESA-N 1 0 240.435 3.275 10 0 BGAERO C[C@@H](C[NH2+]C1CCCC1)N1CCC[C@H](C)CC1 ZINC000104350607 177104383 /nfs/dbraw/zinc/10/43/83/177104383.db2.gz XLIHGHJXYDNMCE-KBPBESRZSA-N 1 0 238.419 3.029 10 0 BGAERO CC[NH2+][C@@H](CN(C)CC1CCCC1)C(C)(C)C ZINC000104350893 170145501 /nfs/dbraw/zinc/14/55/01/170145501.db2.gz IMQMZFGJECQBFU-AWEZNQCLSA-N 1 0 240.435 3.133 10 0 BGAERO CC[NH2+][C@H](CN(C)CC1CCCC1)C(C)(C)C ZINC000104350899 170162599 /nfs/dbraw/zinc/16/25/99/170162599.db2.gz IMQMZFGJECQBFU-CQSZACIVSA-N 1 0 240.435 3.133 10 0 BGAERO CCC(C)(C)[NH2+]C[C@@H](C)N(C)CC1CCCC1 ZINC000104353904 168299022 /nfs/dbraw/zinc/29/90/22/168299022.db2.gz SXLICPMWYKACEM-CYBMUJFWSA-N 1 0 240.435 3.275 10 0 BGAERO CCC(C)(C)[NH2+]C[C@H](C)N(C)CC1CCCC1 ZINC000104353908 168299235 /nfs/dbraw/zinc/29/92/35/168299235.db2.gz SXLICPMWYKACEM-ZDUSSCGKSA-N 1 0 240.435 3.275 10 0 BGAERO C[NH2+]Cc1ccccc1N1CCC[C@@H](C)CC1 ZINC000104354844 173390814 /nfs/dbraw/zinc/39/08/14/173390814.db2.gz HEPUTEHJHZIYOY-CYBMUJFWSA-N 1 0 232.371 3.032 10 0 BGAERO C[NH2+]Cc1ccccc1N1CCC[C@H](C)CC1 ZINC000104354848 173390252 /nfs/dbraw/zinc/39/02/52/173390252.db2.gz HEPUTEHJHZIYOY-ZDUSSCGKSA-N 1 0 232.371 3.032 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000104357854 176015534 /nfs/dbraw/zinc/01/55/34/176015534.db2.gz ZARHBJKUADPVJF-OLZOCXBDSA-N 1 0 232.371 3.452 10 0 BGAERO C[C@@H](c1ccc(N)cc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000104357858 177103042 /nfs/dbraw/zinc/10/30/42/177103042.db2.gz ZARHBJKUADPVJF-STQMWFEESA-N 1 0 232.371 3.452 10 0 BGAERO CC[NH2+][C@@H]1CCCC[C@@H]1N1CCC[C@H](C)CC1 ZINC000104359389 170150577 /nfs/dbraw/zinc/15/05/77/170150577.db2.gz AYQPKZNZDDJYMD-ZNMIVQPWSA-N 1 0 238.419 3.029 10 0 BGAERO CC[NH2+][C@@H]1CCCC[C@H]1N1CCC[C@H](C)CC1 ZINC000104359402 170150646 /nfs/dbraw/zinc/15/06/46/170150646.db2.gz AYQPKZNZDDJYMD-RRFJBIMHSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[NH2+]C[C@@H](C(C)C)N1CCC[C@H](C)CC1 ZINC000104359548 169261073 /nfs/dbraw/zinc/26/10/73/169261073.db2.gz ZNSUZJJADQFZGB-GJZGRUSLSA-N 1 0 240.435 3.133 10 0 BGAERO CCC[NH2+]C[C@H](C(C)C)N1CCC[C@H](C)CC1 ZINC000104359551 169263371 /nfs/dbraw/zinc/26/33/71/169263371.db2.gz ZNSUZJJADQFZGB-LSDHHAIUSA-N 1 0 240.435 3.133 10 0 BGAERO CC[NH2+]Cc1ccccc1N(C)CC1CCCC1 ZINC000104359830 170128614 /nfs/dbraw/zinc/12/86/14/170128614.db2.gz DFAUXVUVAZBUJL-UHFFFAOYSA-N 1 0 246.398 3.423 10 0 BGAERO C[C@H](c1[nH+]c2ccccn2c1N)c1ccccc1 ZINC000104361780 176024007 /nfs/dbraw/zinc/02/40/07/176024007.db2.gz LAXOYSMRQLSNDS-NSHDSACASA-N 1 0 237.306 3.068 10 0 BGAERO CCOC(C[N@H+](CC)CC(CC)CC)OCC ZINC000104363041 170314339 /nfs/dbraw/zinc/31/43/39/170314339.db2.gz DRYRPGDHBREMIO-UHFFFAOYSA-N 1 0 245.407 3.144 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000104363241 176018323 /nfs/dbraw/zinc/01/83/23/176018323.db2.gz CGQLAHVXKHQLIP-OLZOCXBDSA-N 1 0 232.371 3.452 10 0 BGAERO C[C@@H](c1cccc(N)c1)[N@@H+]1CCC[C@H](C)CC1 ZINC000104363242 177104369 /nfs/dbraw/zinc/10/43/69/177104369.db2.gz CGQLAHVXKHQLIP-STQMWFEESA-N 1 0 232.371 3.452 10 0 BGAERO CC[C@@H]1CC[C@H](N)[C@H]([N@@H+]2CCC[C@H](C)CC2)C1 ZINC000104363280 171056287 /nfs/dbraw/zinc/05/62/87/171056287.db2.gz JQXKZTHLVBPPOT-LJISPDSOSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@@H]1CCC[N@@H+]([C@@H]2CCCCCC[C@@H]2O)CC1 ZINC000104365986 176103137 /nfs/dbraw/zinc/10/31/37/176103137.db2.gz XBVNWYFZJWPOAM-KFWWJZLASA-N 1 0 239.403 3.192 10 0 BGAERO C[C@H]1CCC[N@@H+]([C@@H]2CCCCCC[C@@H]2O)CC1 ZINC000104365990 177104419 /nfs/dbraw/zinc/10/44/19/177104419.db2.gz XBVNWYFZJWPOAM-ZNMIVQPWSA-N 1 0 239.403 3.192 10 0 BGAERO C[C@@H]([C@H](O)c1ccccc1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000104367345 176012128 /nfs/dbraw/zinc/01/21/28/176012128.db2.gz FYLJPIANDRQHID-YCPHGPKFSA-N 1 0 247.382 3.231 10 0 BGAERO CC[C@@H]1CCCC[C@H]1[C@H]([NH3+])Cc1ccccn1 ZINC000104382970 170971882 /nfs/dbraw/zinc/97/18/82/170971882.db2.gz JLGGVVMQNNGEMT-BPLDGKMQSA-N 1 0 232.371 3.168 10 0 BGAERO CCC(CC)[N@H+](CCO)[C@H]1CCCC[C@H]1CC ZINC000104384468 168373615 /nfs/dbraw/zinc/37/36/15/168373615.db2.gz PEESKHHLXKXNCF-HIFRSBDPSA-N 1 0 241.419 3.438 10 0 BGAERO CCC(CC)[N@H+](CCO)[C@H]1CCCC[C@@H]1CC ZINC000104384473 168374167 /nfs/dbraw/zinc/37/41/67/168374167.db2.gz PEESKHHLXKXNCF-ZFWWWQNUSA-N 1 0 241.419 3.438 10 0 BGAERO CCC(CC)[N@H+](CCO)[C@@H]1CCCC[C@H]1CC ZINC000104384477 168373893 /nfs/dbraw/zinc/37/38/93/168373893.db2.gz PEESKHHLXKXNCF-UKRRQHHQSA-N 1 0 241.419 3.438 10 0 BGAERO CCC(CC)[N@H+](CCO)[C@@H]1CCCC[C@@H]1CC ZINC000104384478 168374742 /nfs/dbraw/zinc/37/47/42/168374742.db2.gz PEESKHHLXKXNCF-DZGCQCFKSA-N 1 0 241.419 3.438 10 0 BGAERO CC[NH2+][C@H](c1cnccn1)[C@H]1CCCC[C@H]1CC ZINC000104385784 170165198 /nfs/dbraw/zinc/16/51/98/170165198.db2.gz SJNKCEQOQZLCBR-IPYPFGDCSA-N 1 0 247.386 3.344 10 0 BGAERO CC[NH2+][C@H](c1cnccn1)[C@H]1CCCC[C@@H]1CC ZINC000104385789 170165378 /nfs/dbraw/zinc/16/53/78/170165378.db2.gz SJNKCEQOQZLCBR-YDHLFZDLSA-N 1 0 247.386 3.344 10 0 BGAERO CC[NH2+][C@H](c1cnccn1)[C@@H]1CCCC[C@H]1CC ZINC000104385792 170164643 /nfs/dbraw/zinc/16/46/43/170164643.db2.gz SJNKCEQOQZLCBR-NFAWXSAZSA-N 1 0 247.386 3.344 10 0 BGAERO CC[NH2+][C@H](c1cnccn1)[C@@H]1CCCC[C@@H]1CC ZINC000104385795 170164734 /nfs/dbraw/zinc/16/47/34/170164734.db2.gz SJNKCEQOQZLCBR-GUTXKFCHSA-N 1 0 247.386 3.344 10 0 BGAERO CCC(CC)[N@H+](CCN)[C@H]1CCCC[C@H]1CC ZINC000104388039 168371279 /nfs/dbraw/zinc/37/12/79/168371279.db2.gz RHIJLFIDOIVIAW-HIFRSBDPSA-N 1 0 240.435 3.405 10 0 BGAERO CCC(CC)[N@H+](CCN)[C@H]1CCCC[C@@H]1CC ZINC000104388041 168373126 /nfs/dbraw/zinc/37/31/26/168373126.db2.gz RHIJLFIDOIVIAW-ZFWWWQNUSA-N 1 0 240.435 3.405 10 0 BGAERO CCC(CC)[N@H+](CCN)[C@@H]1CCCC[C@H]1CC ZINC000104388044 168371651 /nfs/dbraw/zinc/37/16/51/168371651.db2.gz RHIJLFIDOIVIAW-UKRRQHHQSA-N 1 0 240.435 3.405 10 0 BGAERO CCC(CC)[N@H+](CCN)[C@@H]1CCCC[C@@H]1CC ZINC000104388046 168372088 /nfs/dbraw/zinc/37/20/88/168372088.db2.gz RHIJLFIDOIVIAW-DZGCQCFKSA-N 1 0 240.435 3.405 10 0 BGAERO C[C@@H]1C[C@@H]1C[N@H+](C)C1(CN)CCCCCCC1 ZINC000104406622 176392325 /nfs/dbraw/zinc/39/23/25/176392325.db2.gz JWKXDPJEYGCITL-ZIAGYGMSSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@H]1C[C@@H]1C[N@H+](C)C1(CN)CCCCCCC1 ZINC000104406626 177342464 /nfs/dbraw/zinc/34/24/64/177342464.db2.gz JWKXDPJEYGCITL-UONOGXRCSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@H]1C[C@H]1C[N@H+](C)C1(CN)CCCCCCC1 ZINC000104406632 177378832 /nfs/dbraw/zinc/37/88/32/177378832.db2.gz JWKXDPJEYGCITL-KBPBESRZSA-N 1 0 238.419 3.016 10 0 BGAERO CC[C@H](C)[NH2+]CCn1ccc2cc(F)ccc21 ZINC000104407236 171341136 /nfs/dbraw/zinc/34/11/36/171341136.db2.gz HIMNYKHTCTTZSF-NSHDSACASA-N 1 0 234.318 3.169 10 0 BGAERO CC[NH2+][C@@H](Cc1cccs1)c1cc(C)ccn1 ZINC000104408778 170145845 /nfs/dbraw/zinc/14/58/45/170145845.db2.gz BPWNPLMIZKCVHL-AWEZNQCLSA-N 1 0 246.379 3.345 10 0 BGAERO CC[NH2+][C@H](Cc1cccs1)c1cc(C)ccn1 ZINC000104408780 170163152 /nfs/dbraw/zinc/16/31/52/170163152.db2.gz BPWNPLMIZKCVHL-CQSZACIVSA-N 1 0 246.379 3.345 10 0 BGAERO CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C[C@@H](C)CC ZINC000104410238 169276141 /nfs/dbraw/zinc/27/61/41/169276141.db2.gz HFYGHWYNNKFTEV-KKUMJFAQSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+][C@H](C)[C@@H]1CCCCN1C[C@@H](C)CC ZINC000104410241 169286486 /nfs/dbraw/zinc/28/64/86/169286486.db2.gz HFYGHWYNNKFTEV-ZNMIVQPWSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+][C@@H](C)[C@H]1CCCCN1C[C@@H](C)CC ZINC000104410244 169276270 /nfs/dbraw/zinc/27/62/70/169276270.db2.gz HFYGHWYNNKFTEV-SOUVJXGZSA-N 1 0 240.435 3.275 10 0 BGAERO CCC[NH2+][C@H](C)[C@H]1CCCCN1C[C@@H](C)CC ZINC000104410246 169287045 /nfs/dbraw/zinc/28/70/45/169287045.db2.gz HFYGHWYNNKFTEV-RRFJBIMHSA-N 1 0 240.435 3.275 10 0 BGAERO CC[C@H](C)C[C@](CC)(CN)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104410519 171299157 /nfs/dbraw/zinc/29/91/57/171299157.db2.gz RPCMSBSPBLHIBH-ZQDZILKHSA-N 1 0 240.435 3.118 10 0 BGAERO Cc1cc(F)cc2cc(C[NH2+]CC(C)C)[nH]c21 ZINC000104412370 178080896 /nfs/dbraw/zinc/08/08/96/178080896.db2.gz YCJVEUUEGLMUCP-UHFFFAOYSA-N 1 0 234.318 3.361 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H]1CCCCN1C1CCCCC1 ZINC000104413482 170140956 /nfs/dbraw/zinc/14/09/56/170140956.db2.gz SPOMCXZXDVLQIK-ZFWWWQNUSA-N 1 0 238.419 3.172 10 0 BGAERO CC[NH2+][C@H](C)[C@@H]1CCCCN1C1CCCCC1 ZINC000104413485 170158420 /nfs/dbraw/zinc/15/84/20/170158420.db2.gz SPOMCXZXDVLQIK-HIFRSBDPSA-N 1 0 238.419 3.172 10 0 BGAERO CC[NH2+][C@@H](C)[C@H]1CCCCN1C1CCCCC1 ZINC000104413488 170140951 /nfs/dbraw/zinc/14/09/51/170140951.db2.gz SPOMCXZXDVLQIK-DZGCQCFKSA-N 1 0 238.419 3.172 10 0 BGAERO CC[NH2+][C@H](C)[C@H]1CCCCN1C1CCCCC1 ZINC000104413492 170158890 /nfs/dbraw/zinc/15/88/90/170158890.db2.gz SPOMCXZXDVLQIK-UKRRQHHQSA-N 1 0 238.419 3.172 10 0 BGAERO Fc1ccc2c(ccn2CCC[NH+]2CCCC2)c1 ZINC000104414358 180990669 /nfs/dbraw/zinc/99/06/69/180990669.db2.gz DJIDWIGAADUKCC-UHFFFAOYSA-N 1 0 246.329 3.266 10 0 BGAERO CC[C@H](C(=O)c1ccccc1)[N@H+](C)C[C@@H]1C[C@@H]1C ZINC000104415271 171242248 /nfs/dbraw/zinc/24/22/48/171242248.db2.gz NMWNGOCEAFHUBE-AEGPPILISA-N 1 0 245.366 3.236 10 0 BGAERO CC[NH2+][C@@H](C)c1cnc(-c2cc(C)ccn2)s1 ZINC000104415717 170142898 /nfs/dbraw/zinc/14/28/98/170142898.db2.gz FAYCJFKUNLIXKS-JTQLQIEISA-N 1 0 247.367 3.184 10 0 BGAERO CC[NH2+][C@H](C)c1cnc(-c2cc(C)ccn2)s1 ZINC000104415719 170159725 /nfs/dbraw/zinc/15/97/25/170159725.db2.gz FAYCJFKUNLIXKS-SNVBAGLBSA-N 1 0 247.367 3.184 10 0 BGAERO CC(=O)[C@@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000104415811 582793755 /nfs/dbraw/zinc/79/37/55/582793755.db2.gz VEMSRBNZKGZQQE-DXWDOBMASA-N 1 0 243.350 3.001 10 0 BGAERO CC(=O)[C@H]1CCC[N@H+](C/C=C/c2ccccc2)C1 ZINC000104415814 582793126 /nfs/dbraw/zinc/79/31/26/582793126.db2.gz VEMSRBNZKGZQQE-RDTXFTJFSA-N 1 0 243.350 3.001 10 0 BGAERO CCCn1nc(C)c(-c2cccc(C[NH3+])c2)c1C ZINC000104417604 410937019 /nfs/dbraw/zinc/93/70/19/410937019.db2.gz OCKUKPNXLKGCEQ-UHFFFAOYSA-N 1 0 243.354 3.036 10 0 BGAERO CC[NH2+][C@@H](C)c1ccccc1N(C)C[C@@H]1C[C@@H]1C ZINC000104422099 170141829 /nfs/dbraw/zinc/14/18/29/170141829.db2.gz FAEGMFHCWCZOCH-IHRRRGAJSA-N 1 0 246.398 3.449 10 0 BGAERO CC[NH2+][C@H](C)c1ccccc1N(C)C[C@@H]1C[C@@H]1C ZINC000104422102 170160109 /nfs/dbraw/zinc/16/01/09/170160109.db2.gz FAEGMFHCWCZOCH-MJBXVCDLSA-N 1 0 246.398 3.449 10 0 BGAERO CC(C)C[NH2+]CCCn1ccc2cc(F)ccc21 ZINC000104429259 167004872 /nfs/dbraw/zinc/00/48/72/167004872.db2.gz DBPUUGGPSPENRG-UHFFFAOYSA-N 1 0 248.345 3.416 10 0 BGAERO CCC(CC)[C@@H](C)[NH2+]Cc1cccc2c1OCO2 ZINC000104434507 168399315 /nfs/dbraw/zinc/39/93/15/168399315.db2.gz XITBKMDWRUWUGF-LLVKDONJSA-N 1 0 249.354 3.330 10 0 BGAERO CCC[NH2+][C@@H]1C[C@H](C)c2cc(OC)c(OC)cc21 ZINC000104438698 169284227 /nfs/dbraw/zinc/28/42/27/169284227.db2.gz YKKPXROGPDXZTF-GXFFZTMASA-N 1 0 249.354 3.252 10 0 BGAERO CCC[NH2+][C@H]1C[C@H](C)c2cc(OC)c(OC)cc21 ZINC000104438702 169293113 /nfs/dbraw/zinc/29/31/13/169293113.db2.gz YKKPXROGPDXZTF-GWCFXTLKSA-N 1 0 249.354 3.252 10 0 BGAERO CCC[NH2+][C@@H]1C[C@@H](C)c2cc(OC)c(OC)cc21 ZINC000104438705 169283601 /nfs/dbraw/zinc/28/36/01/169283601.db2.gz YKKPXROGPDXZTF-ZWNOBZJWSA-N 1 0 249.354 3.252 10 0 BGAERO CCC[NH2+][C@H]1C[C@@H](C)c2cc(OC)c(OC)cc21 ZINC000104438706 169292284 /nfs/dbraw/zinc/29/22/84/169292284.db2.gz YKKPXROGPDXZTF-MFKMUULPSA-N 1 0 249.354 3.252 10 0 BGAERO CCC(CC)[C@@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000104440790 168398976 /nfs/dbraw/zinc/39/89/76/168398976.db2.gz QXAKDCSBWQVEBD-GFCCVEGCSA-N 1 0 245.370 3.249 10 0 BGAERO CCC(CC)[C@H](C)[NH2+]Cc1cnn2ccccc12 ZINC000104440792 168405217 /nfs/dbraw/zinc/40/52/17/168405217.db2.gz QXAKDCSBWQVEBD-LBPRGKRZSA-N 1 0 245.370 3.249 10 0 BGAERO CC1(C[N@@H+]2Cc3ccc(N)cc3C2)CCCC1 ZINC000104441178 168025964 /nfs/dbraw/zinc/02/59/64/168025964.db2.gz DJQRQJPDSPFPAS-UHFFFAOYSA-N 1 0 230.355 3.165 10 0 BGAERO CCC(CC)[C@@H](C)[NH2+]CC[C@@H]1CCCC[N@@H+]1C ZINC000104443250 168399575 /nfs/dbraw/zinc/39/95/75/168399575.db2.gz PLIOHKPXFZOQML-HIFRSBDPSA-N 1 0 240.435 3.275 10 0 BGAERO CCC(CC)[C@@H](C)[NH2+]CC[C@H]1CCCC[N@@H+]1C ZINC000104443257 168399626 /nfs/dbraw/zinc/39/96/26/168399626.db2.gz PLIOHKPXFZOQML-UKRRQHHQSA-N 1 0 240.435 3.275 10 0 BGAERO CCC(CC)[C@@H](C)[NH2+]Cc1ccc2c(c1)OCO2 ZINC000104445641 168399674 /nfs/dbraw/zinc/39/96/74/168399674.db2.gz OEQMDZTUIBIVEY-LLVKDONJSA-N 1 0 249.354 3.330 10 0 BGAERO CC1(C[N@H+]2[C@@H]3CCC[C@H]2CC(=O)C3)CCCC1 ZINC000104446122 168025653 /nfs/dbraw/zinc/02/56/53/168025653.db2.gz RMVFPTQTDRBLNY-BETUJISGSA-N 1 0 235.371 3.153 10 0 BGAERO CCC(CC)[C@@H](C)[NH2+][C@@H]1COc2cc(O)ccc21 ZINC000104447010 168399768 /nfs/dbraw/zinc/39/97/68/168399768.db2.gz PNJGUISQUQZOMW-QMTHXVAHSA-N 1 0 249.354 3.240 10 0 BGAERO CCC(CC)[C@@H](C)[NH2+][C@H]1COc2cc(O)ccc21 ZINC000104447018 168399854 /nfs/dbraw/zinc/39/98/54/168399854.db2.gz PNJGUISQUQZOMW-YGRLFVJLSA-N 1 0 249.354 3.240 10 0 BGAERO C[C@@H]1CCC[C@H](C)C1[NH2+]CCOC1CCCC1 ZINC000104447663 177114205 /nfs/dbraw/zinc/11/42/05/177114205.db2.gz LSKJDRGTKDUAEM-NNQSOWQGSA-N 1 0 239.403 3.360 10 0 BGAERO CCC[C@@H]([NH3+])c1noc(C[C@@H](C)C(C)(C)C)n1 ZINC000104447985 169395185 /nfs/dbraw/zinc/39/51/85/169395185.db2.gz GVHMATFGMVNQFF-NXEZZACHSA-N 1 0 239.363 3.094 10 0 BGAERO CCC[C@@H]([NH3+])c1noc(C[C@H](C)C(C)(C)C)n1 ZINC000104447991 169394572 /nfs/dbraw/zinc/39/45/72/169394572.db2.gz GVHMATFGMVNQFF-VHSXEESVSA-N 1 0 239.363 3.094 10 0 BGAERO Cc1nn(C)c(C)c1[C@@H](C)[NH2+]CC1(C)CCCC1 ZINC000104448559 180347232 /nfs/dbraw/zinc/34/72/32/180347232.db2.gz XBXZCYCYFBKMEV-LLVKDONJSA-N 1 0 249.402 3.268 10 0 BGAERO Cc1nn(C)c(C)c1[C@H](C)[NH2+]CC1(C)CCCC1 ZINC000104448562 180349919 /nfs/dbraw/zinc/34/99/19/180349919.db2.gz XBXZCYCYFBKMEV-NSHDSACASA-N 1 0 249.402 3.268 10 0 BGAERO C(=C/[NH+]1CCCCC1)\Cc1ccccc1 ZINC000104832058 166225426 /nfs/dbraw/zinc/22/54/26/166225426.db2.gz LIFOJIIJOWKWGV-NTUHNPAUSA-N 1 0 201.313 3.229 10 0 BGAERO Cc1ccc(S[C@H]2CCCC[NH2+]2)cc1 ZINC000104833133 178828751 /nfs/dbraw/zinc/82/87/51/178828751.db2.gz GSYZRDXGBONYNM-LBPRGKRZSA-N 1 0 207.342 3.187 10 0 BGAERO C#[N+]c1c(F)cc(F)cc1Br ZINC000104899891 183317196 /nfs/dbraw/zinc/31/71/96/183317196.db2.gz PGXUQUDXVJRGSY-UHFFFAOYSA-N 1 0 218.000 3.278 10 0 BGAERO C#[N+]c1c(F)cc(Br)cc1F ZINC000104899897 183317033 /nfs/dbraw/zinc/31/70/33/183317033.db2.gz UHCDIYPOEIXBCH-UHFFFAOYSA-N 1 0 218.000 3.278 10 0 BGAERO C#[N+]c1c(Cl)cc(Cl)cc1C(=O)OC ZINC000104899933 183317100 /nfs/dbraw/zinc/31/71/00/183317100.db2.gz MVROWFHGLKSQFR-UHFFFAOYSA-N 1 0 230.050 3.331 10 0 BGAERO C#[N+]c1cc(F)c(Br)c(F)c1 ZINC000104899954 183317257 /nfs/dbraw/zinc/31/72/57/183317257.db2.gz GCLQBJCWPWLWIR-UHFFFAOYSA-N 1 0 218.000 3.278 10 0 BGAERO C#[N+]c1cc(Br)c(F)cc1F ZINC000104899957 183317517 /nfs/dbraw/zinc/31/75/17/183317517.db2.gz LSBPJOKBZJEJJO-UHFFFAOYSA-N 1 0 218.000 3.278 10 0 BGAERO C#[N+]c1ccc(F)cc1Br ZINC000104899961 183317075 /nfs/dbraw/zinc/31/70/75/183317075.db2.gz MRWMILPYBNOBLG-UHFFFAOYSA-N 1 0 200.010 3.139 10 0 BGAERO C#[N+]c1cc(F)ccc1Br ZINC000104899964 183317308 /nfs/dbraw/zinc/31/73/08/183317308.db2.gz FWMNHSUQJJCTJO-UHFFFAOYSA-N 1 0 200.010 3.139 10 0 BGAERO C#[N+]c1ccc(F)c(Br)c1 ZINC000104899969 183317183 /nfs/dbraw/zinc/31/71/83/183317183.db2.gz WLHBNMSBCJCQEH-UHFFFAOYSA-N 1 0 200.010 3.139 10 0 BGAERO C#[N+]c1ccc(Br)c(F)c1 ZINC000104900017 183317126 /nfs/dbraw/zinc/31/71/26/183317126.db2.gz UJTASTCHTDEBAQ-UHFFFAOYSA-N 1 0 200.010 3.139 10 0 BGAERO C#[N+]c1cc(Br)ccc1F ZINC000104900020 183317080 /nfs/dbraw/zinc/31/70/80/183317080.db2.gz ZUHXMFOWAWCSAW-UHFFFAOYSA-N 1 0 200.010 3.139 10 0 BGAERO CCn1c(C)[nH+]c(-c2cccc(Cl)c2)c1N ZINC000104912122 172136852 /nfs/dbraw/zinc/13/68/52/172136852.db2.gz PQXOKEOTBLBSFO-UHFFFAOYSA-N 1 0 235.718 3.114 10 0 BGAERO CCn1c(C)[nH+]c(-c2ccccc2Cl)c1N ZINC000104912130 172137481 /nfs/dbraw/zinc/13/74/81/172137481.db2.gz HYEJENASFNRCGU-UHFFFAOYSA-N 1 0 235.718 3.114 10 0 BGAERO CCn1c(C)[nH+]c(-c2ccc(Cl)cc2)c1N ZINC000104912136 172138060 /nfs/dbraw/zinc/13/80/60/172138060.db2.gz RERVNZXSDHRDKM-UHFFFAOYSA-N 1 0 235.718 3.114 10 0 BGAERO Cc1[nH+]c(C2CCCCC2)n(C(C)C)c1N ZINC000104912242 179927178 /nfs/dbraw/zinc/92/71/78/179927178.db2.gz NULUMNBCNGAUQT-UHFFFAOYSA-N 1 0 221.348 3.402 10 0 BGAERO CC[C@H](C)c1[nH+]c(C)n(C(C)(C)C)c1N ZINC000105025115 171413536 /nfs/dbraw/zinc/41/35/36/171413536.db2.gz YEOOAEYDYPAIHP-QMMMGPOBSA-N 1 0 209.337 3.042 10 0 BGAERO Cc1[nH+]c(C2CCCC2)c(N)n1CC(C)C ZINC000105032771 179927051 /nfs/dbraw/zinc/92/70/51/179927051.db2.gz UUGXUHHREFATGC-UHFFFAOYSA-N 1 0 221.348 3.087 10 0 BGAERO Cc1[nH+]c(CC(C)(C)C)c(N)n1C(C)(C)C ZINC000105064861 179928525 /nfs/dbraw/zinc/92/85/25/179928525.db2.gz QKLXGNGWZRREGV-UHFFFAOYSA-N 1 0 223.364 3.117 10 0 BGAERO CCCN1CC[N@H+](CCC)[C@@H](c2ccccc2)C1 ZINC000105088100 368387101 /nfs/dbraw/zinc/38/71/01/368387101.db2.gz HJAGGLMHNICIHN-MRXNPFEDSA-N 1 0 246.398 3.165 10 0 BGAERO CCC[C@@H](C)c1[nH+]c(C)n(C(C)(C)C)c1N ZINC000105188583 169373919 /nfs/dbraw/zinc/37/39/19/169373919.db2.gz IJLSEHDDKXTGRM-SECBINFHSA-N 1 0 223.364 3.432 10 0 BGAERO CCCCn1c(C)[nH+]c(C2CCCC2)c1N ZINC000105188592 169033679 /nfs/dbraw/zinc/03/36/79/169033679.db2.gz ITTKJALCOXYTPM-UHFFFAOYSA-N 1 0 221.348 3.231 10 0 BGAERO CCCc1[nH+]c(C2CC2)c(N)n1C(C)(C)C ZINC000105188612 169588323 /nfs/dbraw/zinc/58/83/23/169588323.db2.gz JXTKQEOYUUYRKA-UHFFFAOYSA-N 1 0 221.348 3.050 10 0 BGAERO CCCCn1c(N)c(C)[nH+]c1C1CCCC1 ZINC000105188655 169034335 /nfs/dbraw/zinc/03/43/35/169034335.db2.gz QUWYUPMKYORBKC-UHFFFAOYSA-N 1 0 221.348 3.231 10 0 BGAERO Cc1[nH+]c(CC(C)(C)C)c(N)n1CC(C)C ZINC000105246762 179928749 /nfs/dbraw/zinc/92/87/49/179928749.db2.gz NAJPGFAEDGBFKA-UHFFFAOYSA-N 1 0 223.364 3.018 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000105436714 588169761 /nfs/dbraw/zinc/16/97/61/588169761.db2.gz CKWFHHUZPAFSKG-KCJUWKMLSA-N 1 0 245.244 3.083 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000105436716 177349940 /nfs/dbraw/zinc/34/99/40/177349940.db2.gz CKWFHHUZPAFSKG-KWQFWETISA-N 1 0 245.244 3.083 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000105436717 588169685 /nfs/dbraw/zinc/16/96/85/588169685.db2.gz CKWFHHUZPAFSKG-LDYMZIIASA-N 1 0 245.244 3.083 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cccc(OC(F)(F)F)c1 ZINC000105436718 177385537 /nfs/dbraw/zinc/38/55/37/177385537.db2.gz CKWFHHUZPAFSKG-GZMMTYOYSA-N 1 0 245.244 3.083 10 0 BGAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1C[C@H]1C ZINC000105437059 188337361 /nfs/dbraw/zinc/33/73/61/188337361.db2.gz DQRHDDBCXLSQDD-BZDUZIPRSA-N 1 0 201.313 3.088 10 0 BGAERO C/C(=C\c1ccccc1)C[NH2+][C@H]1C[C@@H]1C ZINC000105437061 191122758 /nfs/dbraw/zinc/12/27/58/191122758.db2.gz DQRHDDBCXLSQDD-SNQUMHBPSA-N 1 0 201.313 3.088 10 0 BGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@H]1C ZINC000105437062 191123071 /nfs/dbraw/zinc/12/30/71/191123071.db2.gz DQRHDDBCXLSQDD-MNFCOICASA-N 1 0 201.313 3.088 10 0 BGAERO C/C(=C\c1ccccc1)C[NH2+][C@@H]1C[C@@H]1C ZINC000105437063 188337459 /nfs/dbraw/zinc/33/74/59/188337459.db2.gz DQRHDDBCXLSQDD-RBDCFEFUSA-N 1 0 201.313 3.088 10 0 BGAERO COc1ccc(C[NH2+][C@H]2C[C@H]2C)c2ccccc12 ZINC000105437439 588169686 /nfs/dbraw/zinc/16/96/86/588169686.db2.gz CVTDWXNPMKMNNT-ABAIWWIYSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc(C[NH2+][C@H]2C[C@@H]2C)c2ccccc12 ZINC000105437440 588169746 /nfs/dbraw/zinc/16/97/46/588169746.db2.gz CVTDWXNPMKMNNT-NHYWBVRUSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc(C[NH2+][C@@H]2C[C@H]2C)c2ccccc12 ZINC000105437442 187206826 /nfs/dbraw/zinc/20/68/26/187206826.db2.gz CVTDWXNPMKMNNT-IAQYHMDHSA-N 1 0 241.334 3.346 10 0 BGAERO COc1ccc(C[NH2+][C@@H]2C[C@@H]2C)c2ccccc12 ZINC000105437445 588169538 /nfs/dbraw/zinc/16/95/38/588169538.db2.gz CVTDWXNPMKMNNT-XHDPSFHLSA-N 1 0 241.334 3.346 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000105437745 588169772 /nfs/dbraw/zinc/16/97/72/588169772.db2.gz MJKHWPKRTMEVMM-RISCZKNCSA-N 1 0 227.307 3.445 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000105437748 177349674 /nfs/dbraw/zinc/34/96/74/177349674.db2.gz MJKHWPKRTMEVMM-FZMZJTMJSA-N 1 0 227.307 3.445 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000105437750 176445913 /nfs/dbraw/zinc/44/59/13/176445913.db2.gz MJKHWPKRTMEVMM-BXUZGUMPSA-N 1 0 227.307 3.445 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000105437752 177385825 /nfs/dbraw/zinc/38/58/25/177385825.db2.gz MJKHWPKRTMEVMM-SMDDNHRTSA-N 1 0 227.307 3.445 10 0 BGAERO Cc1ccccc1CC[NH2+]CCc1ccccc1 ZINC000105812728 588224431 /nfs/dbraw/zinc/22/44/31/588224431.db2.gz ONCNSPBCPZNKEE-UHFFFAOYSA-N 1 0 239.362 3.370 10 0 BGAERO Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCC(C)C ZINC000105895687 180347519 /nfs/dbraw/zinc/34/75/19/180347519.db2.gz HCLTXFAOROYMOM-AWEZNQCLSA-N 1 0 249.402 3.220 10 0 BGAERO Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCC(C)C ZINC000105895689 180348843 /nfs/dbraw/zinc/34/88/43/180348843.db2.gz HCLTXFAOROYMOM-CQSZACIVSA-N 1 0 249.402 3.220 10 0 BGAERO CCc1nccn1[C@@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000105896943 172029915 /nfs/dbraw/zinc/02/99/15/172029915.db2.gz NCDCGCJWDQEJBS-CQSZACIVSA-N 1 0 247.386 3.049 10 0 BGAERO CCc1nccn1[C@H]1CCC[N@H+](CC=C(C)C)C1 ZINC000105896946 172029127 /nfs/dbraw/zinc/02/91/27/172029127.db2.gz NCDCGCJWDQEJBS-AWEZNQCLSA-N 1 0 247.386 3.049 10 0 BGAERO CCCC(C[NH3+])(CCC)[NH2+]Cc1ccccc1 ZINC000106024095 369077353 /nfs/dbraw/zinc/07/73/53/369077353.db2.gz OFNSEWPGNCBITM-UHFFFAOYSA-N 1 0 234.387 3.074 10 0 BGAERO C[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)CC1 ZINC000106199498 177193069 /nfs/dbraw/zinc/19/30/69/177193069.db2.gz HXQYLIGIUSVXNP-CTYIDZIISA-N 1 0 217.356 3.397 10 0 BGAERO CCc1nccn1[C@@H]1CCC[N@H+](CCC(C)C)C1 ZINC000106213561 172029486 /nfs/dbraw/zinc/02/94/86/172029486.db2.gz ALWWXCCHNTVTAG-CQSZACIVSA-N 1 0 249.402 3.129 10 0 BGAERO CCc1nccn1[C@H]1CCC[N@H+](CCC(C)C)C1 ZINC000106213564 172029848 /nfs/dbraw/zinc/02/98/48/172029848.db2.gz ALWWXCCHNTVTAG-AWEZNQCLSA-N 1 0 249.402 3.129 10 0 BGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(F)c2)CC1 ZINC000106219994 177193625 /nfs/dbraw/zinc/19/36/25/177193625.db2.gz HIGOHCKAUZUSEC-UMSPYCQHSA-N 1 0 237.318 3.200 10 0 BGAERO Cc1cnn([C@@H]2CCC[N@H+](CC3CCCC3)C2)c1 ZINC000106221048 387527174 /nfs/dbraw/zinc/52/71/74/387527174.db2.gz ZXWOYGWJMVPMRP-OAHLLOKOSA-N 1 0 247.386 3.019 10 0 BGAERO Cc1cnn([C@H]2CCC[N@H+](CC3CCCC3)C2)c1 ZINC000106221050 387527291 /nfs/dbraw/zinc/52/72/91/387527291.db2.gz ZXWOYGWJMVPMRP-HNNXBMFYSA-N 1 0 247.386 3.019 10 0 BGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCO3)CC1 ZINC000106237161 177193205 /nfs/dbraw/zinc/19/32/05/177193205.db2.gz ZAYVYJHJSHURLD-AULYBMBSSA-N 1 0 247.338 3.084 10 0 BGAERO Nc1c(C2CCCC2)[nH+]cn1Cc1ccccc1 ZINC000106519341 346198667 /nfs/dbraw/zinc/19/86/67/346198667.db2.gz DXSBIASQGBYPTG-UHFFFAOYSA-N 1 0 241.338 3.171 10 0 BGAERO Cc1[nH+]c(C(C)(C)C)c(N)n1Cc1ccccc1 ZINC000106832737 369192993 /nfs/dbraw/zinc/19/29/93/369192993.db2.gz YLUPTYNINUJRRG-UHFFFAOYSA-N 1 0 243.354 3.120 10 0 BGAERO Cc1[nH+]c(C(C)(C)C)n(Cc2ccccc2)c1N ZINC000106839211 355831136 /nfs/dbraw/zinc/83/11/36/355831136.db2.gz JEGMBNIZWMCUQD-UHFFFAOYSA-N 1 0 243.354 3.120 10 0 BGAERO c1cc2c(s1)[C@@H](C1CCCC1)[NH2+]CC2 ZINC000106889146 582459746 /nfs/dbraw/zinc/45/97/46/582459746.db2.gz BNHAJRLZBDLDQT-LLVKDONJSA-N 1 0 207.342 3.125 10 0 BGAERO c1cc2c(s1)[C@H](C1CCCC1)[NH2+]CC2 ZINC000106889148 582459945 /nfs/dbraw/zinc/45/99/45/582459945.db2.gz BNHAJRLZBDLDQT-NSHDSACASA-N 1 0 207.342 3.125 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@H]2C1CCCC1 ZINC000106889170 582459961 /nfs/dbraw/zinc/45/99/61/582459961.db2.gz JUPPUUIKUVHDJD-LBPRGKRZSA-N 1 0 207.342 3.125 10 0 BGAERO CC[C@](C)([NH3+])c1cc(F)ccc1Cl ZINC000107191297 369333652 /nfs/dbraw/zinc/33/36/52/369333652.db2.gz AIOSISPBBILOLP-JTQLQIEISA-N 1 0 201.672 3.063 10 0 BGAERO CC[C@@](C)([NH3+])c1cc(F)ccc1Cl ZINC000107191299 369334210 /nfs/dbraw/zinc/33/42/10/369334210.db2.gz AIOSISPBBILOLP-SNVBAGLBSA-N 1 0 201.672 3.063 10 0 BGAERO [NH3+]Cc1ccc(C(F)(F)c2ccccc2)cc1 ZINC000107270843 350374543 /nfs/dbraw/zinc/37/45/43/350374543.db2.gz KIYHBULBXGWOGY-UHFFFAOYSA-N 1 0 233.261 3.285 10 0 BGAERO CC[NH2+]CCc1ccc(OC(C)(C)C)cc1 ZINC000107286832 170117529 /nfs/dbraw/zinc/11/75/29/170117529.db2.gz GFJHIMGBXBLDHO-UHFFFAOYSA-N 1 0 221.344 3.016 10 0 BGAERO C[NH2+]C[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000107286935 173376176 /nfs/dbraw/zinc/37/61/76/173376176.db2.gz CMWAKCVKJMWQMR-LBPRGKRZSA-N 1 0 221.344 3.044 10 0 BGAERO C[NH2+]C[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000107286940 173365101 /nfs/dbraw/zinc/36/51/01/173365101.db2.gz CMWAKCVKJMWQMR-GFCCVEGCSA-N 1 0 221.344 3.044 10 0 BGAERO CC[NH2+]CCCc1cc(C)n(C(C)C)c1C ZINC000107287520 170113643 /nfs/dbraw/zinc/11/36/43/170113643.db2.gz HTZJQFSEAKJULM-UHFFFAOYSA-N 1 0 222.376 3.228 10 0 BGAERO CCn1c(C)cc(CCC[NH2+]C(C)C)c1C ZINC000107287528 172135732 /nfs/dbraw/zinc/13/57/32/172135732.db2.gz DNTMOBNIDRZSEX-UHFFFAOYSA-N 1 0 222.376 3.055 10 0 BGAERO C[NH2+]CCCCc1cc(C)n(C(C)C)c1C ZINC000107287532 173346544 /nfs/dbraw/zinc/34/65/44/173346544.db2.gz ZWPMPEAAOSEWOM-UHFFFAOYSA-N 1 0 222.376 3.228 10 0 BGAERO Cc1cc(CCCCC[NH3+])c(C)n1C(C)C ZINC000107287537 177961888 /nfs/dbraw/zinc/96/18/88/177961888.db2.gz PDKCBDAZFIJADF-UHFFFAOYSA-N 1 0 222.376 3.357 10 0 BGAERO CC[NH2+]CCc1ccc(SC(C)C)cc1 ZINC000107287777 170117653 /nfs/dbraw/zinc/11/76/53/170117653.db2.gz VRTSONREZYWBNM-UHFFFAOYSA-N 1 0 223.385 3.339 10 0 BGAERO CC[NH2+]CCCc1c[nH]c2ccc(CC)cc12 ZINC000107288534 170113253 /nfs/dbraw/zinc/11/32/53/170113253.db2.gz OSLJIVIYTANKQI-UHFFFAOYSA-N 1 0 230.355 3.272 10 0 BGAERO CC[NH2+]CCCc1c[nH]c2c1cccc2CC ZINC000107288615 170113783 /nfs/dbraw/zinc/11/37/83/170113783.db2.gz GSFRBZPAMNNXCW-UHFFFAOYSA-N 1 0 230.355 3.272 10 0 BGAERO Cc1cc(CCC[NH2+]C2CC2)c(C)n1C1CC1 ZINC000107289397 177962740 /nfs/dbraw/zinc/96/27/40/177962740.db2.gz KCELTQCBTCIFMB-UHFFFAOYSA-N 1 0 232.371 3.124 10 0 BGAERO CC[NH2+]CCc1ccc(OC2CCCC2)cc1 ZINC000107289634 170117197 /nfs/dbraw/zinc/11/71/97/170117197.db2.gz LSHYSJSPFYXNMW-UHFFFAOYSA-N 1 0 233.355 3.160 10 0 BGAERO CC[NH2+]CCc1ccc(OC)c(C(C)(C)C)c1 ZINC000107290328 170117122 /nfs/dbraw/zinc/11/71/22/170117122.db2.gz XLCGENRLAKMOSV-UHFFFAOYSA-N 1 0 235.371 3.145 10 0 BGAERO CC[NH2+]CCc1cc(C(C)C)c(OC)cc1C ZINC000107290340 170117521 /nfs/dbraw/zinc/11/75/21/170117521.db2.gz USUFGBYUSNQUHH-UHFFFAOYSA-N 1 0 235.371 3.279 10 0 BGAERO COc1ccc(CCC[NH2+]C(C)C)c(C)c1C ZINC000107290363 175089338 /nfs/dbraw/zinc/08/93/38/175089338.db2.gz FTIVPEQDWYDBMB-UHFFFAOYSA-N 1 0 235.371 3.243 10 0 BGAERO COc1ccc(F)cc1CCC[NH2+]C(C)(C)C ZINC000107291480 175128749 /nfs/dbraw/zinc/12/87/49/175128749.db2.gz LCUCGGGDUMZTEY-UHFFFAOYSA-N 1 0 239.334 3.155 10 0 BGAERO COc1ccc(CCC[NH2+]C(C)C)cc1Cl ZINC000107291714 175089768 /nfs/dbraw/zinc/08/97/68/175089768.db2.gz AGZNXTNJNSWTDZ-UHFFFAOYSA-N 1 0 241.762 3.279 10 0 BGAERO CC[NH2+]CCc1cc(Cl)c(OCC)cc1C ZINC000107291716 170117523 /nfs/dbraw/zinc/11/75/23/170117523.db2.gz SGFLPBRZHWWNST-UHFFFAOYSA-N 1 0 241.762 3.199 10 0 BGAERO CC[NH2+]CCc1ccc(OC(C)C)c(Cl)c1 ZINC000107291718 170117466 /nfs/dbraw/zinc/11/74/66/170117466.db2.gz PQULORDNMGFPMO-UHFFFAOYSA-N 1 0 241.762 3.279 10 0 BGAERO COc1ccc(CCC[NH2+]C(C)C)c(Cl)c1 ZINC000107291720 175090078 /nfs/dbraw/zinc/09/00/78/175090078.db2.gz RPQDLNIQEDSRRF-UHFFFAOYSA-N 1 0 241.762 3.279 10 0 BGAERO [NH3+]CCCCCc1ccc2c(c1)ncn2C1CC1 ZINC000107292046 181375516 /nfs/dbraw/zinc/37/55/16/181375516.db2.gz DXNOOSBBOXPHNQ-UHFFFAOYSA-N 1 0 243.354 3.043 10 0 BGAERO CC[NH2+]CCCc1cn(C)c2ccc(CC)cc12 ZINC000107292290 170113532 /nfs/dbraw/zinc/11/35/32/170113532.db2.gz KZJVYOAZAASLRU-UHFFFAOYSA-N 1 0 244.382 3.283 10 0 BGAERO CC[NH2+]CCCc1cn(C)c2c1cccc2CC ZINC000107292389 170113781 /nfs/dbraw/zinc/11/37/81/170113781.db2.gz WSOBJOFXBJSNFN-UHFFFAOYSA-N 1 0 244.382 3.283 10 0 BGAERO CCc1nc2cc(CCC[NH2+]C(C)C)ccc2[nH]1 ZINC000107292588 172010020 /nfs/dbraw/zinc/01/00/20/172010020.db2.gz ZGEHEPCKKVNPPO-UHFFFAOYSA-N 1 0 245.370 3.056 10 0 BGAERO CC[NH2+]CCCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000107292591 170113939 /nfs/dbraw/zinc/11/39/39/170113939.db2.gz XCYVICMMWOFCAC-UHFFFAOYSA-N 1 0 245.370 3.228 10 0 BGAERO CC[NH2+]CCCc1ccc2c(c1)ncn2C(C)C ZINC000107292601 170113965 /nfs/dbraw/zinc/11/39/65/170113965.db2.gz XXTNMQZEMXSFER-UHFFFAOYSA-N 1 0 245.370 3.159 10 0 BGAERO C[NH2+]CCCCc1ccc2[nH]c(C(C)C)nc2c1 ZINC000107292638 173346453 /nfs/dbraw/zinc/34/64/53/173346453.db2.gz LGPIHOXTARZHSG-UHFFFAOYSA-N 1 0 245.370 3.228 10 0 BGAERO C[NH2+]CCCCc1ccc2c(c1)ncn2C(C)C ZINC000107292650 173346192 /nfs/dbraw/zinc/34/61/92/173346192.db2.gz OHTZBFBHPCPNQN-UHFFFAOYSA-N 1 0 245.370 3.159 10 0 BGAERO CCn1c(C)nc2cc(CCCCC[NH3+])ccc21 ZINC000107292664 172138091 /nfs/dbraw/zinc/13/80/91/172138091.db2.gz IYWINAJHBJLMJE-UHFFFAOYSA-N 1 0 245.370 3.036 10 0 BGAERO CC[NH2+]CCCc1ccc2nc(C(C)C)oc2c1 ZINC000107292958 170113858 /nfs/dbraw/zinc/11/38/58/170113858.db2.gz ARDXCTOBJVLJJQ-UHFFFAOYSA-N 1 0 246.354 3.493 10 0 BGAERO COc1ccc2[nH]cc(CCC[NH2+]C(C)C)c2c1 ZINC000107292987 175202537 /nfs/dbraw/zinc/20/25/37/175202537.db2.gz ZUOGKFJMHOFXSX-UHFFFAOYSA-N 1 0 246.354 3.107 10 0 BGAERO CC[NH2+]CCCc1c(C)[nH]c2ccc(OC)cc21 ZINC000107292997 170113801 /nfs/dbraw/zinc/11/38/01/170113801.db2.gz JEONONRVWNFOGZ-UHFFFAOYSA-N 1 0 246.354 3.027 10 0 BGAERO CC[NH2+]CCc1c(C)[nH]c2ccc(OCC)cc21 ZINC000107293020 170117607 /nfs/dbraw/zinc/11/76/07/170117607.db2.gz KRSMJAOSCXWHOB-UHFFFAOYSA-N 1 0 246.354 3.027 10 0 BGAERO COc1cccc2c(CCC[NH2+]C(C)C)c[nH]c21 ZINC000107293031 175298967 /nfs/dbraw/zinc/29/89/67/175298967.db2.gz WSENVFZPXSJUOC-UHFFFAOYSA-N 1 0 246.354 3.107 10 0 BGAERO CC[NH2+]CCCc1c(C)[nH]c2c1cccc2OC ZINC000107293042 170113396 /nfs/dbraw/zinc/11/33/96/170113396.db2.gz KRPJZCMXKTTYRM-UHFFFAOYSA-N 1 0 246.354 3.027 10 0 BGAERO CC[NH2+]CCCc1c[nH]c2c1cc(C)cc2OC ZINC000107293056 170113411 /nfs/dbraw/zinc/11/34/11/170113411.db2.gz VWZWINLJUCCBQH-UHFFFAOYSA-N 1 0 246.354 3.027 10 0 BGAERO CC[NH2+]CCCc1c[nH]c2c1cc(OC)cc2C ZINC000107293076 170113748 /nfs/dbraw/zinc/11/37/48/170113748.db2.gz SHOIOAQRWRRXMZ-UHFFFAOYSA-N 1 0 246.354 3.027 10 0 BGAERO COc1ccc2c(CCC[NH2+]C(C)C)c[nH]c2c1 ZINC000107293094 175204418 /nfs/dbraw/zinc/20/44/18/175204418.db2.gz KNLRDINAPKUUCW-UHFFFAOYSA-N 1 0 246.354 3.107 10 0 BGAERO CC[NH2+]CCCc1c(C)[nH]c2cc(OC)ccc21 ZINC000107293106 170113397 /nfs/dbraw/zinc/11/33/97/170113397.db2.gz FFQSOXGLWRDPGV-UHFFFAOYSA-N 1 0 246.354 3.027 10 0 BGAERO C[NH2+]CCCc1c[nH]c2ccc(OC(C)C)cc12 ZINC000107293117 173350750 /nfs/dbraw/zinc/35/07/50/173350750.db2.gz QSQSJLBXMXJWDS-UHFFFAOYSA-N 1 0 246.354 3.107 10 0 BGAERO CC[NH2+]CCc1c[nH]c2ccc(OC(C)C)cc12 ZINC000107293120 170117186 /nfs/dbraw/zinc/11/71/86/170117186.db2.gz WACKVCBGOONEHX-UHFFFAOYSA-N 1 0 246.354 3.107 10 0 BGAERO CC[NH2+]CCCc1c[nH]c2c1c(C)ccc2OC ZINC000107293134 170113777 /nfs/dbraw/zinc/11/37/77/170113777.db2.gz OIGCEBCMUMPFTA-UHFFFAOYSA-N 1 0 246.354 3.027 10 0 BGAERO CC(C)[NH2+]CC(=O)c1ccc(OC(C)(C)C)cc1 ZINC000107294184 167097626 /nfs/dbraw/zinc/09/76/26/167097626.db2.gz WDOSCSYLARYNJB-UHFFFAOYSA-N 1 0 249.354 3.045 10 0 BGAERO CC[NH2+]CCc1cc(C(C)(C)C)c(OC)cc1C ZINC000107294307 170117316 /nfs/dbraw/zinc/11/73/16/170117316.db2.gz RVQNVERDELZPEG-UHFFFAOYSA-N 1 0 249.398 3.453 10 0 BGAERO CC[NH2+]CCc1cc(C)cc(C(C)(C)C)c1OC ZINC000107294342 170117465 /nfs/dbraw/zinc/11/74/65/170117465.db2.gz UWKWYHBRUNXTNR-UHFFFAOYSA-N 1 0 249.398 3.453 10 0 BGAERO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000107953207 592705474 /nfs/dbraw/zinc/70/54/74/592705474.db2.gz DKNHJHNUSOFMOS-INIZCTEOSA-N 1 0 245.366 3.104 10 0 BGAERO CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC000107953210 592705599 /nfs/dbraw/zinc/70/55/99/592705599.db2.gz DKNHJHNUSOFMOS-MRXNPFEDSA-N 1 0 245.366 3.104 10 0 BGAERO C[C@@H](CC(=O)Nc1ccc(C[NH3+])cc1)C(C)(C)C ZINC000108943306 175642583 /nfs/dbraw/zinc/64/25/83/175642583.db2.gz BCUAHSKNSCOEOK-NSHDSACASA-N 1 0 248.370 3.156 10 0 BGAERO CCCC1CCC([NH2+]CCn2cc(C)cn2)CC1 ZINC000109075643 588515978 /nfs/dbraw/zinc/51/59/78/588515978.db2.gz YGOBJOVRVDUPLO-UHFFFAOYSA-N 1 0 249.402 3.140 10 0 BGAERO CC[NH2+][C@@H](CC)[C@@H](C)CCOc1ccccc1 ZINC000110476827 170144218 /nfs/dbraw/zinc/14/42/18/170144218.db2.gz XMUMIMVFJLKZAY-ZFWWWQNUSA-N 1 0 235.371 3.480 10 0 BGAERO CC[NH2+][C@H](CC)[C@@H](C)CCOc1ccccc1 ZINC000110476830 170161187 /nfs/dbraw/zinc/16/11/87/170161187.db2.gz XMUMIMVFJLKZAY-DZGCQCFKSA-N 1 0 235.371 3.480 10 0 BGAERO CC[NH2+][C@@H](CC)[C@H](C)CCOc1ccccc1 ZINC000110476833 170144032 /nfs/dbraw/zinc/14/40/32/170144032.db2.gz XMUMIMVFJLKZAY-HIFRSBDPSA-N 1 0 235.371 3.480 10 0 BGAERO CC[NH2+][C@H](CC)[C@H](C)CCOc1ccccc1 ZINC000110476835 170161137 /nfs/dbraw/zinc/16/11/37/170161137.db2.gz XMUMIMVFJLKZAY-UKRRQHHQSA-N 1 0 235.371 3.480 10 0 BGAERO C[C@H]1CN(c2cc[nH+]c3ccccc32)CCS1 ZINC000110541039 385246366 /nfs/dbraw/zinc/24/63/66/385246366.db2.gz NQJHNSZGQYCYOS-NSHDSACASA-N 1 0 244.363 3.177 10 0 BGAERO Cc1cccc([C@@H](CN)[N@H+](C)CC2CCCC2)c1 ZINC000110832783 179184299 /nfs/dbraw/zinc/18/42/99/179184299.db2.gz ITSPLIWLGFKTFJ-MRXNPFEDSA-N 1 0 246.398 3.117 10 0 BGAERO Cc1cccc([C@H](CN)[N@H+](C)CC2CCCC2)c1 ZINC000110832785 179199081 /nfs/dbraw/zinc/19/90/81/179199081.db2.gz ITSPLIWLGFKTFJ-INIZCTEOSA-N 1 0 246.398 3.117 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CC2CCOCC2)CC(C)(C)C1 ZINC000111158363 176420746 /nfs/dbraw/zinc/42/07/46/176420746.db2.gz ONBDOLKMEZMARE-OCCSQVGLSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CC2CCOCC2)CC(C)(C)C1 ZINC000111158370 176375343 /nfs/dbraw/zinc/37/53/43/176375343.db2.gz ONBDOLKMEZMARE-TZMCWYRMSA-N 1 0 239.403 3.217 10 0 BGAERO CC[C@H](C)c1noc([C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000111274482 588738731 /nfs/dbraw/zinc/73/87/31/588738731.db2.gz PUTGQGOWOHISLV-BJDJZHNGSA-N 1 0 249.358 3.176 10 0 BGAERO CC(C)C[C@@H](C[NH3+])Nc1ccc2ccccc2n1 ZINC000111377001 187317239 /nfs/dbraw/zinc/31/72/39/187317239.db2.gz OMMVVOCYNCHTJO-ZDUSSCGKSA-N 1 0 243.354 3.020 10 0 BGAERO CC(C)C[C@H](C[NH3+])Nc1ccc2ccccc2n1 ZINC000111377003 187316884 /nfs/dbraw/zinc/31/68/84/187316884.db2.gz OMMVVOCYNCHTJO-CYBMUJFWSA-N 1 0 243.354 3.020 10 0 BGAERO C[C@@H](C(=O)c1ccccc1)[N@@H+]1CCC[C@H](C)CC1 ZINC000111612989 177104311 /nfs/dbraw/zinc/10/43/11/177104311.db2.gz BGKHDBVTSMCQPH-KBPBESRZSA-N 1 0 245.366 3.380 10 0 BGAERO c1ccc(CC[NH2+]CCOC2CCCCC2)cc1 ZINC000111635623 588764808 /nfs/dbraw/zinc/76/48/08/588764808.db2.gz WBSJPQGNXXLYGK-UHFFFAOYSA-N 1 0 247.382 3.168 10 0 BGAERO CC(=O)[C@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000111690099 582817756 /nfs/dbraw/zinc/81/77/56/582817756.db2.gz DKRZAXUPPKXQPD-HNNXBMFYSA-N 1 0 245.366 3.104 10 0 BGAERO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(C)ccc2C)C1 ZINC000111690102 712688369 /nfs/dbraw/zinc/68/83/69/712688369.db2.gz DKRZAXUPPKXQPD-OAHLLOKOSA-N 1 0 245.366 3.104 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111728544 370172120 /nfs/dbraw/zinc/17/21/20/370172120.db2.gz OROQRCHYEFOPIT-GFCCVEGCSA-N 1 0 228.339 3.369 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1ccnc2ccccc12 ZINC000111728546 370172238 /nfs/dbraw/zinc/17/22/38/370172238.db2.gz OROQRCHYEFOPIT-LBPRGKRZSA-N 1 0 228.339 3.369 10 0 BGAERO c1ccc2c(C[NH2+]CC3CCC3)ccnc2c1 ZINC000111728652 323163079 /nfs/dbraw/zinc/16/30/79/323163079.db2.gz JOOCEQBCSWXBJF-UHFFFAOYSA-N 1 0 226.323 3.125 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000111754347 398332179 /nfs/dbraw/zinc/33/21/79/398332179.db2.gz INEZPUJOFJSXHS-NWANDNLSSA-N 1 0 233.355 3.031 10 0 BGAERO C[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000111754350 176920164 /nfs/dbraw/zinc/92/01/64/176920164.db2.gz INEZPUJOFJSXHS-AEGPPILISA-N 1 0 233.355 3.031 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000111754456 398332245 /nfs/dbraw/zinc/33/22/45/398332245.db2.gz INEZPUJOFJSXHS-BPLDGKMQSA-N 1 0 233.355 3.031 10 0 BGAERO CCC(CC)(C[NH3+])Nc1ccc2ccccc2n1 ZINC000111823012 168323894 /nfs/dbraw/zinc/32/38/94/168323894.db2.gz VTCKNSYBFSHCQT-UHFFFAOYSA-N 1 0 243.354 3.164 10 0 BGAERO c1cc2c3c(ccc(C4CC[NH2+]CC4)c3c1)CC2 ZINC000111854796 345752592 /nfs/dbraw/zinc/75/25/92/345752592.db2.gz LNYCYKYZNSOTTG-UHFFFAOYSA-N 1 0 237.346 3.405 10 0 BGAERO CC(C)[NH2+]C[C@@H]1C[C@@H]1c1ccnc2ccccc21 ZINC000112174204 167113176 /nfs/dbraw/zinc/11/31/76/167113176.db2.gz RVPARXAPUHVRIP-WFASDCNBSA-N 1 0 240.350 3.336 10 0 BGAERO CC(C)[NH2+]C[C@H]1C[C@@H]1c1ccnc2ccccc21 ZINC000112174206 167116626 /nfs/dbraw/zinc/11/66/26/167116626.db2.gz RVPARXAPUHVRIP-DOMZBBRYSA-N 1 0 240.350 3.336 10 0 BGAERO CC(C)[NH2+]C[C@@H]1C[C@H]1c1ccnc2ccccc21 ZINC000112174208 167113542 /nfs/dbraw/zinc/11/35/42/167113542.db2.gz RVPARXAPUHVRIP-SWLSCSKDSA-N 1 0 240.350 3.336 10 0 BGAERO CC(C)[NH2+]C[C@H]1C[C@H]1c1ccnc2ccccc21 ZINC000112174209 167117618 /nfs/dbraw/zinc/11/76/18/167117618.db2.gz RVPARXAPUHVRIP-IUODEOHRSA-N 1 0 240.350 3.336 10 0 BGAERO CC(C)(C)CC[N@@H+]1CCO[C@H]2CCCC[C@@H]21 ZINC000112697188 370345645 /nfs/dbraw/zinc/34/56/45/370345645.db2.gz WOQCFAYBCTWGFG-STQMWFEESA-N 1 0 225.376 3.066 10 0 BGAERO CC(C)(C)CC[N@@H+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000112697189 370345911 /nfs/dbraw/zinc/34/59/11/370345911.db2.gz WOQCFAYBCTWGFG-QWHCGFSZSA-N 1 0 225.376 3.066 10 0 BGAERO Cn1nccc1C1CC[NH+](CCC(C)(C)C)CC1 ZINC000112697418 385843239 /nfs/dbraw/zinc/84/32/39/385843239.db2.gz ALSIUJLZAVABRE-UHFFFAOYSA-N 1 0 249.402 3.036 10 0 BGAERO CC(C)(C)CC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000112697420 385844067 /nfs/dbraw/zinc/84/40/67/385844067.db2.gz MOFCCHXAVAUEQY-UHFFFAOYSA-N 1 0 235.375 3.025 10 0 BGAERO CC(C)(C)CC[NH+]1CCC(Cn2cccn2)CC1 ZINC000112697916 166563968 /nfs/dbraw/zinc/56/39/68/166563968.db2.gz JOYZYWXPLJMMDC-UHFFFAOYSA-N 1 0 249.402 3.031 10 0 BGAERO Cc1cnn([C@@H]2CCC[N@H+](CCC(C)(C)C)C2)c1 ZINC000112697943 385843854 /nfs/dbraw/zinc/84/38/54/385843854.db2.gz VKJLVMAEEQRWBM-CQSZACIVSA-N 1 0 249.402 3.265 10 0 BGAERO Cc1cnn([C@H]2CCC[N@H+](CCC(C)(C)C)C2)c1 ZINC000112697944 385843807 /nfs/dbraw/zinc/84/38/07/385843807.db2.gz VKJLVMAEEQRWBM-AWEZNQCLSA-N 1 0 249.402 3.265 10 0 BGAERO Cc1ccc(O)c(C[NH2+][C@@H](C)c2cccs2)n1 ZINC000112716306 383946676 /nfs/dbraw/zinc/94/66/76/383946676.db2.gz UPWHDCZSUIBCDL-JTQLQIEISA-N 1 0 248.351 3.008 10 0 BGAERO Cc1ccc(O)c(C[NH2+][C@H](C)c2cccs2)n1 ZINC000112716307 383944562 /nfs/dbraw/zinc/94/45/62/383944562.db2.gz UPWHDCZSUIBCDL-SNVBAGLBSA-N 1 0 248.351 3.008 10 0 BGAERO CC[C@H]([NH3+])CNc1ccnc2cc(Cl)ccc21 ZINC000113452539 354985665 /nfs/dbraw/zinc/98/56/65/354985665.db2.gz OHSLJLQPZHLTCK-JTQLQIEISA-N 1 0 249.745 3.037 10 0 BGAERO CC[C@@H]([NH3+])CNc1ccnc2cc(Cl)ccc21 ZINC000113452542 354985527 /nfs/dbraw/zinc/98/55/27/354985527.db2.gz OHSLJLQPZHLTCK-SNVBAGLBSA-N 1 0 249.745 3.037 10 0 BGAERO CC[NH2+][C@@H]1C[C@H](C)c2cc3c(cc21)OCCCO3 ZINC000113613413 170153836 /nfs/dbraw/zinc/15/38/36/170153836.db2.gz ZOGXRFZIYGGRHZ-GXFFZTMASA-N 1 0 247.338 3.006 10 0 BGAERO Cc1ccc2c(cccc2[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000113808108 345754915 /nfs/dbraw/zinc/75/49/15/345754915.db2.gz SBNIKZIDCJMJMU-CHWSQXEVSA-N 1 0 240.350 3.399 10 0 BGAERO Cc1ccc2c(cccc2[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000113808111 345755208 /nfs/dbraw/zinc/75/52/08/345755208.db2.gz SBNIKZIDCJMJMU-QWHCGFSZSA-N 1 0 240.350 3.399 10 0 BGAERO Cc1ccc2c(cccc2[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000113808113 345755302 /nfs/dbraw/zinc/75/53/02/345755302.db2.gz SBNIKZIDCJMJMU-OLZOCXBDSA-N 1 0 240.350 3.399 10 0 BGAERO Cc1ccc2c(cccc2[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000113808115 345755010 /nfs/dbraw/zinc/75/50/10/345755010.db2.gz SBNIKZIDCJMJMU-STQMWFEESA-N 1 0 240.350 3.399 10 0 BGAERO CCCC[N@@H+]1CC[C@H]2c3ccccc3C[C@H]2C1 ZINC000113895737 350041176 /nfs/dbraw/zinc/04/11/76/350041176.db2.gz FLQWELWUFIHCPK-GOEBONIOSA-N 1 0 229.367 3.448 10 0 BGAERO [NH3+]Cc1ccc(Oc2ccccc2)cc1F ZINC000113984444 345755254 /nfs/dbraw/zinc/75/52/54/345755254.db2.gz YNEQXTYAPGVRPJ-UHFFFAOYSA-N 1 0 217.243 3.077 10 0 BGAERO CC(C)(C)CC(=O)c1ccc(C[NH3+])c(Cl)c1 ZINC000113985926 345755213 /nfs/dbraw/zinc/75/52/13/345755213.db2.gz HISCQDGRRPLYON-UHFFFAOYSA-N 1 0 239.746 3.418 10 0 BGAERO [NH3+]Cc1ccc(Oc2cccc(F)c2)cc1F ZINC000113986473 345754928 /nfs/dbraw/zinc/75/49/28/345754928.db2.gz KBXNNWORNPBAAF-UHFFFAOYSA-N 1 0 235.233 3.216 10 0 BGAERO CC(C)(C)CC(=O)c1ccc(C[NH3+])cc1Cl ZINC000113987198 345755111 /nfs/dbraw/zinc/75/51/11/345755111.db2.gz BMRIWGGCZLCEGJ-UHFFFAOYSA-N 1 0 239.746 3.418 10 0 BGAERO [NH3+]Cc1ccc(C(=O)CC2CCCCC2)cc1 ZINC000113987523 363344889 /nfs/dbraw/zinc/34/48/89/363344889.db2.gz PSWMHJAXWJIPBH-UHFFFAOYSA-N 1 0 231.339 3.298 10 0 BGAERO CC1(C)CCC[C@H](Oc2ccc(C[NH3+])cc2)C1 ZINC000113987880 345754850 /nfs/dbraw/zinc/75/48/50/345754850.db2.gz KGYKDLABCCLIPY-AWEZNQCLSA-N 1 0 233.355 3.493 10 0 BGAERO CC1(C)CCC[C@@H](Oc2ccc(C[NH3+])cc2)C1 ZINC000113987882 345755029 /nfs/dbraw/zinc/75/50/29/345755029.db2.gz KGYKDLABCCLIPY-CQSZACIVSA-N 1 0 233.355 3.493 10 0 BGAERO [NH3+]Cc1ccc(CCC2CCCCC2)nc1 ZINC000113989060 345754857 /nfs/dbraw/zinc/75/48/57/345754857.db2.gz ONFDJZYKVRMMJC-UHFFFAOYSA-N 1 0 218.344 3.053 10 0 BGAERO [NH3+]Cc1ccc(CCC2CCCCC2)cn1 ZINC000113989322 345754990 /nfs/dbraw/zinc/75/49/90/345754990.db2.gz CNOVCYHLOJPHHW-UHFFFAOYSA-N 1 0 218.344 3.053 10 0 BGAERO C[C@H](c1ccccc1)[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000114419431 343999516 /nfs/dbraw/zinc/99/95/16/343999516.db2.gz SADBQMMFCUIWDD-FVQBIDKESA-N 1 0 245.366 3.391 10 0 BGAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000114483981 183397379 /nfs/dbraw/zinc/39/73/79/183397379.db2.gz PLYSWVVOYNNTQR-OAHLLOKOSA-N 1 0 241.338 3.137 10 0 BGAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000114483983 183396685 /nfs/dbraw/zinc/39/66/85/183396685.db2.gz PLYSWVVOYNNTQR-HNNXBMFYSA-N 1 0 241.338 3.137 10 0 BGAERO CC(C)(C)CC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000114484475 387547698 /nfs/dbraw/zinc/54/76/98/387547698.db2.gz SISIJOBIEBCGQH-CYBMUJFWSA-N 1 0 235.375 3.373 10 0 BGAERO CC(C)(C)CC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000114484479 387547550 /nfs/dbraw/zinc/54/75/50/387547550.db2.gz SISIJOBIEBCGQH-ZDUSSCGKSA-N 1 0 235.375 3.373 10 0 BGAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1CC1CCCC1 ZINC000114484593 387546907 /nfs/dbraw/zinc/54/69/07/387546907.db2.gz GGQIWMVLRYRNCL-AWEZNQCLSA-N 1 0 233.359 3.127 10 0 BGAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1CC1CCCC1 ZINC000114484594 387547909 /nfs/dbraw/zinc/54/79/09/387547909.db2.gz GGQIWMVLRYRNCL-CQSZACIVSA-N 1 0 233.359 3.127 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000114630881 368386227 /nfs/dbraw/zinc/38/62/27/368386227.db2.gz SDLYJQGZRSJHFQ-KGLIPLIRSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000114630883 368387189 /nfs/dbraw/zinc/38/71/89/368387189.db2.gz SDLYJQGZRSJHFQ-KBPBESRZSA-N 1 0 203.329 3.098 10 0 BGAERO CCCCc1cccc(CC)c1CC1=[NH+]CCN1 ZINC000114912071 368957965 /nfs/dbraw/zinc/95/79/65/368957965.db2.gz SVJXKCQYSYNFDR-UHFFFAOYSA-N 1 0 244.382 3.136 10 0 BGAERO c1ccc(-n2c3ccccc3c3c2C[NH2+]CC3)cc1 ZINC000114936994 368962010 /nfs/dbraw/zinc/96/20/10/368962010.db2.gz KIHLZFFTDPQXKP-UHFFFAOYSA-N 1 0 248.329 3.276 10 0 BGAERO C[NH+](C)Cc1c[nH]c2ccc(OCC3CC3)cc12 ZINC000115465677 347157513 /nfs/dbraw/zinc/15/75/13/347157513.db2.gz YBUKIOIMHXSLMD-UHFFFAOYSA-N 1 0 244.338 3.018 10 0 BGAERO CC1(C)CC[C@H](c2ccc(F)c(F)c2)[NH2+]C1 ZINC000115720664 369005333 /nfs/dbraw/zinc/00/53/33/369005333.db2.gz GSVXXFOCBLBOCC-GFCCVEGCSA-N 1 0 225.282 3.416 10 0 BGAERO CC1(C)CC[C@@H](c2ccc(F)c(F)c2)[NH2+]C1 ZINC000115720667 369005942 /nfs/dbraw/zinc/00/59/42/369005942.db2.gz GSVXXFOCBLBOCC-LBPRGKRZSA-N 1 0 225.282 3.416 10 0 BGAERO c1nc(C[C@H]2C=C3CCCC[C@@H]3CC2)c[nH]1 ZINC000115904313 347078955 /nfs/dbraw/zinc/07/89/55/347078955.db2.gz OTDHLPUTOHIFHP-VXGBXAGGSA-N 1 0 216.328 3.479 10 0 BGAERO Nc1cccc(-c2cnc3cc(Cl)ccn32)c1 ZINC000116147783 370736792 /nfs/dbraw/zinc/73/67/92/370736792.db2.gz VELOMKFTYONRDE-UHFFFAOYSA-N 1 0 243.697 3.237 10 0 BGAERO Nc1cc2nc(-c3ccccc3)cn2cc1C1CC1 ZINC000116230850 342922620 /nfs/dbraw/zinc/92/26/20/342922620.db2.gz PUKKUXIHYIVBRR-UHFFFAOYSA-N 1 0 249.317 3.461 10 0 BGAERO c1coc([C@@H]2CCC[N@H+]2CCc2ccncc2)c1 ZINC000116288839 398090111 /nfs/dbraw/zinc/09/01/11/398090111.db2.gz YEKBBVIYUSASTN-AWEZNQCLSA-N 1 0 242.322 3.054 10 0 BGAERO c1coc([C@H]2CCC[N@H+]2CCc2ccncc2)c1 ZINC000116288841 398090104 /nfs/dbraw/zinc/09/01/04/398090104.db2.gz YEKBBVIYUSASTN-CQSZACIVSA-N 1 0 242.322 3.054 10 0 BGAERO c1coc([C@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000116289019 183398071 /nfs/dbraw/zinc/39/80/71/183398071.db2.gz YXPFVIQBJQPBOZ-CYBMUJFWSA-N 1 0 228.295 3.012 10 0 BGAERO c1coc([C@@H]2CCC[N@H+]2Cc2ccccn2)c1 ZINC000116289023 183399611 /nfs/dbraw/zinc/39/96/11/183399611.db2.gz YXPFVIQBJQPBOZ-ZDUSSCGKSA-N 1 0 228.295 3.012 10 0 BGAERO CC(C)=CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116289825 188254813 /nfs/dbraw/zinc/25/48/13/188254813.db2.gz YRFLPXBFXVHOTO-GFCCVEGCSA-N 1 0 205.301 3.383 10 0 BGAERO CC(C)=CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116289828 187392735 /nfs/dbraw/zinc/39/27/35/187392735.db2.gz YRFLPXBFXVHOTO-LBPRGKRZSA-N 1 0 205.301 3.383 10 0 BGAERO c1coc([C@H]2CCC[N@H+]2CCc2ccccn2)c1 ZINC000116291845 183392122 /nfs/dbraw/zinc/39/21/22/183392122.db2.gz AYNRVVZHUBQCEI-CQSZACIVSA-N 1 0 242.322 3.054 10 0 BGAERO c1coc([C@@H]2CCC[N@H+]2CCc2ccccn2)c1 ZINC000116291849 183392210 /nfs/dbraw/zinc/39/22/10/183392210.db2.gz AYNRVVZHUBQCEI-AWEZNQCLSA-N 1 0 242.322 3.054 10 0 BGAERO CC(C)(C)OCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116294797 398089516 /nfs/dbraw/zinc/08/95/16/398089516.db2.gz BIMJKTZHWZHAIN-GFCCVEGCSA-N 1 0 237.343 3.232 10 0 BGAERO CC(C)(C)OCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116294799 398090207 /nfs/dbraw/zinc/09/02/07/398090207.db2.gz BIMJKTZHWZHAIN-LBPRGKRZSA-N 1 0 237.343 3.232 10 0 BGAERO Cc1ncc(C[N@@H+]2CCC[C@@H]2c2ccco2)s1 ZINC000116295942 180142697 /nfs/dbraw/zinc/14/26/97/180142697.db2.gz BZCMCQHKLBFECB-GFCCVEGCSA-N 1 0 248.351 3.382 10 0 BGAERO Cc1ncc(C[N@@H+]2CCC[C@H]2c2ccco2)s1 ZINC000116295945 180142975 /nfs/dbraw/zinc/14/29/75/180142975.db2.gz BZCMCQHKLBFECB-LBPRGKRZSA-N 1 0 248.351 3.382 10 0 BGAERO c1coc([C@H]2CCC[N@H+]2Cc2cccnc2)c1 ZINC000116296270 386932994 /nfs/dbraw/zinc/93/29/94/386932994.db2.gz IMDBQJHBGITTKQ-CYBMUJFWSA-N 1 0 228.295 3.012 10 0 BGAERO c1coc([C@@H]2CCC[N@H+]2Cc2cccnc2)c1 ZINC000116296273 386932571 /nfs/dbraw/zinc/93/25/71/386932571.db2.gz IMDBQJHBGITTKQ-ZDUSSCGKSA-N 1 0 228.295 3.012 10 0 BGAERO CC(C)CC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116298110 386933475 /nfs/dbraw/zinc/93/34/75/386933475.db2.gz UGROZWKSDRDAKD-GFCCVEGCSA-N 1 0 207.317 3.463 10 0 BGAERO CC(C)CC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116298115 386932178 /nfs/dbraw/zinc/93/21/78/386932178.db2.gz UGROZWKSDRDAKD-LBPRGKRZSA-N 1 0 207.317 3.463 10 0 BGAERO CC[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCO1 ZINC000116386566 487605737 /nfs/dbraw/zinc/60/57/37/487605737.db2.gz OBAOGQFSURKNKY-HOTGVXAUSA-N 1 0 247.382 3.166 10 0 BGAERO CC[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCCO1 ZINC000116386569 487605648 /nfs/dbraw/zinc/60/56/48/487605648.db2.gz OBAOGQFSURKNKY-CVEARBPZSA-N 1 0 247.382 3.166 10 0 BGAERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@@H]1C ZINC000116387511 323205163 /nfs/dbraw/zinc/20/51/63/323205163.db2.gz WVYFIERVDBLCPV-IACUBPJLSA-N 1 0 203.329 3.006 10 0 BGAERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@@H]1C ZINC000116387518 323205057 /nfs/dbraw/zinc/20/50/57/323205057.db2.gz WVYFIERVDBLCPV-YUTCNCBUSA-N 1 0 203.329 3.006 10 0 BGAERO CC(C)OCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404410 167211832 /nfs/dbraw/zinc/21/18/32/167211832.db2.gz WNKJDXHYFQCZFV-CYBMUJFWSA-N 1 0 237.343 3.232 10 0 BGAERO CC(C)OCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404412 167212302 /nfs/dbraw/zinc/21/23/02/167212302.db2.gz WNKJDXHYFQCZFV-ZDUSSCGKSA-N 1 0 237.343 3.232 10 0 BGAERO Cl/C=C/C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404574 398089600 /nfs/dbraw/zinc/08/96/00/398089600.db2.gz RDKXZNOAJGTANN-YVGDHZEHSA-N 1 0 211.692 3.169 10 0 BGAERO Cl/C=C/C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404577 398089465 /nfs/dbraw/zinc/08/94/65/398089465.db2.gz RDKXZNOAJGTANN-QLCVYAKKSA-N 1 0 211.692 3.169 10 0 BGAERO COCCCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000116404752 174178553 /nfs/dbraw/zinc/17/85/53/174178553.db2.gz YEYXEFCEUDOCTM-CYBMUJFWSA-N 1 0 237.343 3.233 10 0 BGAERO COCCCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000116404756 174178219 /nfs/dbraw/zinc/17/82/19/174178219.db2.gz YEYXEFCEUDOCTM-ZDUSSCGKSA-N 1 0 237.343 3.233 10 0 BGAERO c1cc2cc(NC3=[NH+]CCC3)ccc2o1 ZINC000116826941 370840766 /nfs/dbraw/zinc/84/07/66/370840766.db2.gz RWFYXWTXRYJCQA-UHFFFAOYSA-N 1 0 200.241 3.037 10 0 BGAERO C[C@H](C[N@@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000116878690 384157050 /nfs/dbraw/zinc/15/70/50/384157050.db2.gz ZBUHJNYDRNRJBM-CHWSQXEVSA-N 1 0 235.396 3.227 10 0 BGAERO C[C@H](C[N@@H+]1CCS[C@@H](C)C1)c1ccccc1 ZINC000116878692 388071770 /nfs/dbraw/zinc/07/17/70/388071770.db2.gz ZBUHJNYDRNRJBM-OLZOCXBDSA-N 1 0 235.396 3.227 10 0 BGAERO Cc1ccc(F)c(C[NH2+][C@@H](C)C(C)C)c1 ZINC000116912420 385804370 /nfs/dbraw/zinc/80/43/70/385804370.db2.gz HJMXSDMJQNDWCS-NSHDSACASA-N 1 0 209.308 3.268 10 0 BGAERO Cc1ccc(F)c(C[NH2+][C@H](C)C(C)C)c1 ZINC000116912422 385804153 /nfs/dbraw/zinc/80/41/53/385804153.db2.gz HJMXSDMJQNDWCS-LLVKDONJSA-N 1 0 209.308 3.268 10 0 BGAERO C[C@@H](C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000116993751 385802218 /nfs/dbraw/zinc/80/22/18/385802218.db2.gz CGMCTMYDTMSDSX-GOEBONIOSA-N 1 0 247.382 3.027 10 0 BGAERO C[C@H](C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000116993752 385803821 /nfs/dbraw/zinc/80/38/21/385803821.db2.gz CGMCTMYDTMSDSX-GDBMZVCRSA-N 1 0 247.382 3.027 10 0 BGAERO C[C@@H]([NH3+])c1nc2cccnc2cc1-c1ccccc1 ZINC000117721733 368345275 /nfs/dbraw/zinc/34/52/75/368345275.db2.gz WRLWINYIFLPOBW-LLVKDONJSA-N 1 0 249.317 3.317 10 0 BGAERO C[C@H]([NH3+])c1nc2cccnc2cc1-c1ccccc1 ZINC000117721735 368345337 /nfs/dbraw/zinc/34/53/37/368345337.db2.gz WRLWINYIFLPOBW-NSHDSACASA-N 1 0 249.317 3.317 10 0 BGAERO [NH3+]Cc1c(-c2ccccc2)ccc2c1NC=CN2 ZINC000117745423 343015809 /nfs/dbraw/zinc/01/58/09/343015809.db2.gz XPZUDCAARBUSJT-UHFFFAOYSA-N 1 0 237.306 3.121 10 0 BGAERO [NH3+]Cc1ccc2c(c1)Oc1ccccc1O2 ZINC000117815023 343017154 /nfs/dbraw/zinc/01/71/54/343017154.db2.gz DNWDNFMWGBOQGR-UHFFFAOYSA-N 1 0 213.236 3.043 10 0 BGAERO CCCCC[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000117876542 387550601 /nfs/dbraw/zinc/55/06/01/387550601.db2.gz FOOOOCNLLQTNKP-UHFFFAOYSA-N 1 0 249.402 3.273 10 0 BGAERO CCCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000117876679 387030703 /nfs/dbraw/zinc/03/07/03/387030703.db2.gz PKASEVOYZBUKSO-CQSZACIVSA-N 1 0 247.386 3.006 10 0 BGAERO CCCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000117876683 387029985 /nfs/dbraw/zinc/02/99/85/387029985.db2.gz PKASEVOYZBUKSO-AWEZNQCLSA-N 1 0 247.386 3.006 10 0 BGAERO CCCCC[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000117880693 387549705 /nfs/dbraw/zinc/54/97/05/387549705.db2.gz AAGXOHZLDNEVHP-CQSZACIVSA-N 1 0 249.402 3.364 10 0 BGAERO CCCCC[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000117880696 387549342 /nfs/dbraw/zinc/54/93/42/387549342.db2.gz AAGXOHZLDNEVHP-AWEZNQCLSA-N 1 0 249.402 3.364 10 0 BGAERO CCCCC[N@@H+]1CCC[C@H](n2ccnc2CC)C1 ZINC000117880721 387550199 /nfs/dbraw/zinc/55/01/99/387550199.db2.gz WIYNRQZPCLSEME-AWEZNQCLSA-N 1 0 249.402 3.273 10 0 BGAERO CCCCC[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000117880724 387549682 /nfs/dbraw/zinc/54/96/82/387549682.db2.gz WIYNRQZPCLSEME-CQSZACIVSA-N 1 0 249.402 3.273 10 0 BGAERO CCCCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000117880748 387550273 /nfs/dbraw/zinc/55/02/73/387550273.db2.gz HABFEWGYZOCHQQ-AWEZNQCLSA-N 1 0 235.375 3.019 10 0 BGAERO CCCCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000117880751 387550464 /nfs/dbraw/zinc/55/04/64/387550464.db2.gz HABFEWGYZOCHQQ-CQSZACIVSA-N 1 0 235.375 3.019 10 0 BGAERO CCCCC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000117881000 387030032 /nfs/dbraw/zinc/03/00/32/387030032.db2.gz YIWUHVOTSFOVHJ-UHFFFAOYSA-N 1 0 249.402 3.092 10 0 BGAERO CCCCC[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000117883792 387029919 /nfs/dbraw/zinc/02/99/19/387029919.db2.gz AHUNNOLIZSNDON-CYBMUJFWSA-N 1 0 221.348 3.127 10 0 BGAERO CCCCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000117883795 387030927 /nfs/dbraw/zinc/03/09/27/387030927.db2.gz AHUNNOLIZSNDON-ZDUSSCGKSA-N 1 0 221.348 3.127 10 0 BGAERO CC1(C)C[NH2+]CC=C1c1ccc(Cl)cc1 ZINC000118189083 343044879 /nfs/dbraw/zinc/04/48/79/343044879.db2.gz LNAWVHQNXJKQGI-UHFFFAOYSA-N 1 0 221.731 3.353 10 0 BGAERO CC1(C)C[NH2+]CC[C@@H]1c1ccc(Cl)cc1 ZINC000118190379 343044805 /nfs/dbraw/zinc/04/48/05/343044805.db2.gz RGMBQSQBOCNMHJ-GFCCVEGCSA-N 1 0 223.747 3.443 10 0 BGAERO CC1(C)C[NH2+]CC[C@H]1c1ccc(Cl)cc1 ZINC000118190383 343044992 /nfs/dbraw/zinc/04/49/92/343044992.db2.gz RGMBQSQBOCNMHJ-LBPRGKRZSA-N 1 0 223.747 3.443 10 0 BGAERO FC(F)(F)[C@]1(c2cccc(Cl)c2)CC[NH2+]C1 ZINC000118239285 343046273 /nfs/dbraw/zinc/04/62/73/343046273.db2.gz LOUFYYALEZWMRD-SNVBAGLBSA-N 1 0 249.663 3.133 10 0 BGAERO FC(F)(F)[C@@]1(c2cccc(Cl)c2)CC[NH2+]C1 ZINC000118239286 343046162 /nfs/dbraw/zinc/04/61/62/343046162.db2.gz LOUFYYALEZWMRD-JTQLQIEISA-N 1 0 249.663 3.133 10 0 BGAERO CC1(C)CCC(C)(C)c2cc(C(=[NH2+])NO)ccc21 ZINC000118354902 347363010 /nfs/dbraw/zinc/36/30/10/347363010.db2.gz LRSFPBTVSJSFJW-UHFFFAOYSA-N 1 0 246.354 3.340 10 0 BGAERO CC1(C)C[NH2+][C@@H](c2ccncc2)c2ccccc21 ZINC000118457131 342932277 /nfs/dbraw/zinc/93/22/77/342932277.db2.gz NLIIBLSUNBLDDQ-HNNXBMFYSA-N 1 0 238.334 3.052 10 0 BGAERO CC1(C)C[NH2+][C@H](c2ccncc2)c2ccccc21 ZINC000118457134 342932275 /nfs/dbraw/zinc/93/22/75/342932275.db2.gz NLIIBLSUNBLDDQ-OAHLLOKOSA-N 1 0 238.334 3.052 10 0 BGAERO C[C@@](F)(C[NH3+])c1ccc(Cl)cc1Cl ZINC000118493772 343046921 /nfs/dbraw/zinc/04/69/21/343046921.db2.gz ZKKXDTKKADJPRC-SECBINFHSA-N 1 0 222.090 3.137 10 0 BGAERO C[C@](F)(C[NH3+])c1ccc(Cl)cc1Cl ZINC000118493775 343046552 /nfs/dbraw/zinc/04/65/52/343046552.db2.gz ZKKXDTKKADJPRC-VIFPVBQESA-N 1 0 222.090 3.137 10 0 BGAERO c1sc(-c2ccccc2)nc1C1=CC[NH2+]CC1 ZINC000118713795 368345086 /nfs/dbraw/zinc/34/50/86/368345086.db2.gz GAQBKIGAHJOFOQ-UHFFFAOYSA-N 1 0 242.347 3.187 10 0 BGAERO C[NH2+][C@@H](C)c1c(Cl)cccc1Cl ZINC000118816260 344826000 /nfs/dbraw/zinc/82/60/00/344826000.db2.gz IQAKFUGHCLEJMG-LURJTMIESA-N 1 0 204.100 3.274 10 0 BGAERO C[NH2+][C@H](C)c1c(Cl)cccc1Cl ZINC000118816262 344825905 /nfs/dbraw/zinc/82/59/05/344825905.db2.gz IQAKFUGHCLEJMG-ZCFIWIBFSA-N 1 0 204.100 3.274 10 0 BGAERO CC(C)CCn1cccc1C[NH2+][C@H]1C[C@H]1C ZINC000119065091 166920152 /nfs/dbraw/zinc/92/01/52/166920152.db2.gz OSVQXMAQUSKKHE-OCCSQVGLSA-N 1 0 220.360 3.032 10 0 BGAERO CC(C)CCn1cccc1C[NH2+][C@H]1C[C@@H]1C ZINC000119065179 357006426 /nfs/dbraw/zinc/00/64/26/357006426.db2.gz OSVQXMAQUSKKHE-JSGCOSHPSA-N 1 0 220.360 3.032 10 0 BGAERO CC(C)CCn1cccc1C[NH2+][C@@H]1C[C@H]1C ZINC000119065293 357006036 /nfs/dbraw/zinc/00/60/36/357006036.db2.gz OSVQXMAQUSKKHE-TZMCWYRMSA-N 1 0 220.360 3.032 10 0 BGAERO CC(C)CCn1cccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000119065385 357006406 /nfs/dbraw/zinc/00/64/06/357006406.db2.gz OSVQXMAQUSKKHE-GXTWGEPZSA-N 1 0 220.360 3.032 10 0 BGAERO CCCC[C@H]([NH2+]C[C@](C)(O)CC)C1CCC1 ZINC000119089173 323911190 /nfs/dbraw/zinc/91/11/90/323911190.db2.gz DLQZVTCRLVVIGP-UONOGXRCSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC[C@@H]([NH2+]C[C@](C)(O)CC)C1CCC1 ZINC000119089270 388103226 /nfs/dbraw/zinc/10/32/26/388103226.db2.gz DLQZVTCRLVVIGP-ZIAGYGMSSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC[C@H]([NH2+]C[C@@](C)(O)CC)C1CCC1 ZINC000119089370 388103275 /nfs/dbraw/zinc/10/32/75/388103275.db2.gz DLQZVTCRLVVIGP-KBPBESRZSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC[C@@H]([NH2+]C[C@@](C)(O)CC)C1CCC1 ZINC000119089447 388103091 /nfs/dbraw/zinc/10/30/91/388103091.db2.gz DLQZVTCRLVVIGP-KGLIPLIRSA-N 1 0 227.392 3.096 10 0 BGAERO CC[C@@H](C)C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000119667522 170703158 /nfs/dbraw/zinc/70/31/58/170703158.db2.gz MLMGAPTYCXSLHN-CYBMUJFWSA-N 1 0 249.402 3.129 10 0 BGAERO CC[C@H](C)C[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000119667673 171279635 /nfs/dbraw/zinc/27/96/35/171279635.db2.gz MLMGAPTYCXSLHN-ZDUSSCGKSA-N 1 0 249.402 3.129 10 0 BGAERO CCCCCC[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000119773522 589333614 /nfs/dbraw/zinc/33/36/14/589333614.db2.gz GDCXAKUWWTZQGS-JHJVBQTASA-N 1 0 213.365 3.112 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000119816112 384305159 /nfs/dbraw/zinc/30/51/59/384305159.db2.gz PYMWKIIMRSZBJY-YWPYICTPSA-N 1 0 233.355 3.077 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000119816357 384304700 /nfs/dbraw/zinc/30/47/00/384304700.db2.gz PYMWKIIMRSZBJY-ZOWXZIJZSA-N 1 0 233.355 3.077 10 0 BGAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c(C)s1 ZINC000119989187 178231115 /nfs/dbraw/zinc/23/11/15/178231115.db2.gz JJTBHCVNISLSKG-GIPNMCIBSA-N 1 0 239.384 3.193 10 0 BGAERO C[C@@H](c1cccc(O)c1)[N@H+](C)C1CCCC1 ZINC000120093941 176018108 /nfs/dbraw/zinc/01/81/08/176018108.db2.gz AOXWAPSZBXXHPK-NSHDSACASA-N 1 0 219.328 3.328 10 0 BGAERO C[C@H](c1cccc(O)c1)[N@H+](C)C1CCCC1 ZINC000120094086 177036041 /nfs/dbraw/zinc/03/60/41/177036041.db2.gz AOXWAPSZBXXHPK-LLVKDONJSA-N 1 0 219.328 3.328 10 0 BGAERO C[C@H]1OCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000120128374 323976030 /nfs/dbraw/zinc/97/60/30/323976030.db2.gz OZXGOGKILHZLMQ-TZMCWYRMSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+]CCCC1CCCCC1 ZINC000120128529 323975820 /nfs/dbraw/zinc/97/58/20/323975820.db2.gz OZXGOGKILHZLMQ-GXTWGEPZSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@H]1OCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000120128667 387173414 /nfs/dbraw/zinc/17/34/14/387173414.db2.gz OZXGOGKILHZLMQ-OCCSQVGLSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+]CCCC1CCCCC1 ZINC000120128828 347338860 /nfs/dbraw/zinc/33/88/60/347338860.db2.gz OZXGOGKILHZLMQ-JSGCOSHPSA-N 1 0 225.376 3.114 10 0 BGAERO CCc1nccn1[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000120146499 172029422 /nfs/dbraw/zinc/02/94/22/172029422.db2.gz FGZDTKMEMYTYMZ-CQSZACIVSA-N 1 0 247.386 3.025 10 0 BGAERO CCc1nccn1[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000120146664 172029934 /nfs/dbraw/zinc/02/99/34/172029934.db2.gz FGZDTKMEMYTYMZ-AWEZNQCLSA-N 1 0 247.386 3.025 10 0 BGAERO CCn1cc(C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000120147822 172159361 /nfs/dbraw/zinc/15/93/61/172159361.db2.gz JQRLJRZLZALJHO-UHFFFAOYSA-N 1 0 247.386 3.025 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c(C)c1 ZINC000120350318 178896534 /nfs/dbraw/zinc/89/65/34/178896534.db2.gz JXMSPSXFSFQOFE-GZBFAFLISA-N 1 0 233.355 3.131 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c(C)c1 ZINC000120350606 384345483 /nfs/dbraw/zinc/34/54/83/384345483.db2.gz JXMSPSXFSFQOFE-GUTXKFCHSA-N 1 0 233.355 3.131 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000120401940 176405176 /nfs/dbraw/zinc/40/51/76/176405176.db2.gz GQERKWAGNFWGND-FXAINCCUSA-N 1 0 237.343 3.361 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000120402249 384349941 /nfs/dbraw/zinc/34/99/41/384349941.db2.gz GQERKWAGNFWGND-GGZOMVNGSA-N 1 0 237.343 3.361 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000120402732 323986256 /nfs/dbraw/zinc/98/62/56/323986256.db2.gz FFEJYMSETNSZHW-SGMGOOAPSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000120403102 323985762 /nfs/dbraw/zinc/98/57/62/323985762.db2.gz FFEJYMSETNSZHW-OBJOEFQTSA-N 1 0 203.329 3.362 10 0 BGAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)s1 ZINC000120413476 352602361 /nfs/dbraw/zinc/60/23/61/352602361.db2.gz KAKYHIRZDLWEFY-OYNCUSHFSA-N 1 0 224.373 3.073 10 0 BGAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)s1 ZINC000120413786 347358233 /nfs/dbraw/zinc/35/82/33/347358233.db2.gz KAKYHIRZDLWEFY-NRPADANISA-N 1 0 224.373 3.073 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000120414454 384351514 /nfs/dbraw/zinc/35/15/14/384351514.db2.gz NOZZIWQMNKWWFA-UGFHNGPFSA-N 1 0 215.340 3.006 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000120414775 384351022 /nfs/dbraw/zinc/35/10/22/384351022.db2.gz NOZZIWQMNKWWFA-DFBGVHRSSA-N 1 0 215.340 3.006 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000120415035 323986613 /nfs/dbraw/zinc/98/66/13/323986613.db2.gz CEAMYTXSOOVUQD-DYEKYZERSA-N 1 0 217.356 3.351 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000120415347 323987034 /nfs/dbraw/zinc/98/70/34/323987034.db2.gz CEAMYTXSOOVUQD-MBNYWOFBSA-N 1 0 217.356 3.351 10 0 BGAERO CC(C)C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccn1 ZINC000120416359 384352685 /nfs/dbraw/zinc/35/26/85/384352685.db2.gz OKTIGASDNJVEKS-XBFCOCLRSA-N 1 0 218.344 3.167 10 0 BGAERO CC(C)C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccn1 ZINC000120416516 188328256 /nfs/dbraw/zinc/32/82/56/188328256.db2.gz OKTIGASDNJVEKS-UBHSHLNASA-N 1 0 218.344 3.167 10 0 BGAERO CC(C)C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccn1 ZINC000120416663 384352550 /nfs/dbraw/zinc/35/25/50/384352550.db2.gz OKTIGASDNJVEKS-BNOWGMLFSA-N 1 0 218.344 3.167 10 0 BGAERO CC(C)C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccn1 ZINC000120416817 188328190 /nfs/dbraw/zinc/32/81/90/188328190.db2.gz OKTIGASDNJVEKS-YUTCNCBUSA-N 1 0 218.344 3.167 10 0 BGAERO C[C@H]1OCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000120424130 177407213 /nfs/dbraw/zinc/40/72/13/177407213.db2.gz ZGQZKESBAICKKC-ZWNOBZJWSA-N 1 0 247.363 3.168 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+]Cc1csc2ccccc12 ZINC000120424292 176481537 /nfs/dbraw/zinc/48/15/37/176481537.db2.gz ZGQZKESBAICKKC-GXFFZTMASA-N 1 0 247.363 3.168 10 0 BGAERO C[C@H]1OCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000120424444 384351871 /nfs/dbraw/zinc/35/18/71/384351871.db2.gz ZGQZKESBAICKKC-MFKMUULPSA-N 1 0 247.363 3.168 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+]Cc1csc2ccccc12 ZINC000120424612 384353381 /nfs/dbraw/zinc/35/33/81/384353381.db2.gz ZGQZKESBAICKKC-GWCFXTLKSA-N 1 0 247.363 3.168 10 0 BGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1OC ZINC000120425959 384352323 /nfs/dbraw/zinc/35/23/23/384352323.db2.gz VXUJYOBIFXATGJ-GMXVVIOVSA-N 1 0 249.354 3.071 10 0 BGAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1OC ZINC000120426225 174962132 /nfs/dbraw/zinc/96/21/32/174962132.db2.gz VXUJYOBIFXATGJ-GVXVVHGQSA-N 1 0 249.354 3.071 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1C ZINC000120433011 387186036 /nfs/dbraw/zinc/18/60/36/387186036.db2.gz MLCWNWPTEHMYSL-VHRBIJSZSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1C ZINC000120433219 387186378 /nfs/dbraw/zinc/18/63/78/387186378.db2.gz MLCWNWPTEHMYSL-JKOKRWQUSA-N 1 0 203.329 3.362 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(OC)c1 ZINC000120433957 387246929 /nfs/dbraw/zinc/24/69/29/387246929.db2.gz DDXIUPFADOKBDV-LEWSCRJBSA-N 1 0 219.328 3.144 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(OC)c1 ZINC000120434221 387248025 /nfs/dbraw/zinc/24/80/25/387248025.db2.gz DDXIUPFADOKBDV-BPNCWPANSA-N 1 0 219.328 3.144 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000120439227 384352104 /nfs/dbraw/zinc/35/21/04/384352104.db2.gz ANWSMOJNTRKION-WQAKAFBOSA-N 1 0 235.302 3.037 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000120439544 384351709 /nfs/dbraw/zinc/35/17/09/384351709.db2.gz ANWSMOJNTRKION-OASPWFOLSA-N 1 0 235.302 3.037 10 0 BGAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@@H]1C ZINC000120440677 387246795 /nfs/dbraw/zinc/24/67/95/387246795.db2.gz VOSRNKHGAKSDHB-FPMFFAJLSA-N 1 0 231.339 3.207 10 0 BGAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@@H]1C ZINC000120440998 387247950 /nfs/dbraw/zinc/24/79/50/387247950.db2.gz VOSRNKHGAKSDHB-UBHSHLNASA-N 1 0 231.339 3.207 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000120446386 387246852 /nfs/dbraw/zinc/24/68/52/387246852.db2.gz YYZZVVLNOUGYNI-AQUOVQTQSA-N 1 0 225.282 3.414 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(F)ccc1F ZINC000120446717 387246680 /nfs/dbraw/zinc/24/66/80/387246680.db2.gz YYZZVVLNOUGYNI-HJIKLVIJSA-N 1 0 225.282 3.414 10 0 BGAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1Cl ZINC000120447686 490061512 /nfs/dbraw/zinc/06/15/12/490061512.db2.gz FGZKSMASTIVDAR-PTRXPTGYSA-N 1 0 239.746 3.408 10 0 BGAERO COc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1Cl ZINC000120447866 490061499 /nfs/dbraw/zinc/06/14/99/490061499.db2.gz FGZKSMASTIVDAR-AUTRQRHGSA-N 1 0 239.746 3.408 10 0 BGAERO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1Cl ZINC000120448019 490061525 /nfs/dbraw/zinc/06/15/25/490061525.db2.gz FGZKSMASTIVDAR-VDDIYKPWSA-N 1 0 239.746 3.408 10 0 BGAERO COc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1Cl ZINC000120448167 490061446 /nfs/dbraw/zinc/06/14/46/490061446.db2.gz FGZKSMASTIVDAR-HOTUBEGUSA-N 1 0 239.746 3.408 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000120454156 387247940 /nfs/dbraw/zinc/24/79/40/387247940.db2.gz MTMPWWXLVCRCGH-ADEWGFFLSA-N 1 0 219.328 3.291 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CC(C)(C)Cc2occc21 ZINC000120454463 387248059 /nfs/dbraw/zinc/24/80/59/387248059.db2.gz MTMPWWXLVCRCGH-YUSALJHKSA-N 1 0 219.328 3.291 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000120465102 384356560 /nfs/dbraw/zinc/35/65/60/384356560.db2.gz QBEOLWYMMNEOTH-BUYFANAVSA-N 1 0 229.245 3.163 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000120465246 384354244 /nfs/dbraw/zinc/35/42/44/384354244.db2.gz QBEOLWYMMNEOTH-HFJPGXAFSA-N 1 0 229.245 3.163 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(F)c(F)c(F)c1 ZINC000120465373 384354653 /nfs/dbraw/zinc/35/46/53/384354653.db2.gz QBEOLWYMMNEOTH-PTZCXBDSSA-N 1 0 229.245 3.163 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc(F)c(F)c(F)c1 ZINC000120465519 176906347 /nfs/dbraw/zinc/90/63/47/176906347.db2.gz QBEOLWYMMNEOTH-OKTBNZSVSA-N 1 0 229.245 3.163 10 0 BGAERO CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000120469000 589416925 /nfs/dbraw/zinc/41/69/25/589416925.db2.gz WJTYWQJFLPEKJL-COPLHBTASA-N 1 0 219.328 3.144 10 0 BGAERO CCOc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]2C)c1 ZINC000120469319 589416956 /nfs/dbraw/zinc/41/69/56/589416956.db2.gz WJTYWQJFLPEKJL-MJVIPROJSA-N 1 0 219.328 3.144 10 0 BGAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1C[C@@H]1C)CCC2 ZINC000120480382 172010853 /nfs/dbraw/zinc/01/08/53/172010853.db2.gz SBFJGJMXZHEOET-IQJOONFLSA-N 1 0 236.384 3.081 10 0 BGAERO CCc1nc2c(s1)[C@H]([NH2+][C@H]1C[C@@H]1C)CCC2 ZINC000120480731 172010697 /nfs/dbraw/zinc/01/06/97/172010697.db2.gz SBFJGJMXZHEOET-NGZCFLSTSA-N 1 0 236.384 3.081 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]1C)CCCO2 ZINC000120483655 387249293 /nfs/dbraw/zinc/24/92/93/387249293.db2.gz XIYLMCBMSRSFDO-IACUBPJLSA-N 1 0 231.339 3.207 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]1C)CCCO2 ZINC000120483975 387249223 /nfs/dbraw/zinc/24/92/23/387249223.db2.gz XIYLMCBMSRSFDO-YUTCNCBUSA-N 1 0 231.339 3.207 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cc2c(s1)CCC2 ZINC000120484945 387187603 /nfs/dbraw/zinc/18/76/03/387187603.db2.gz OHKZWDJCEQIUFL-YWVKMMECSA-N 1 0 221.369 3.296 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000120485053 323987183 /nfs/dbraw/zinc/98/71/83/323987183.db2.gz OHKZWDJCEQIUFL-QXEWZRGKSA-N 1 0 221.369 3.296 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc2c(s1)CCC2 ZINC000120485246 583113390 /nfs/dbraw/zinc/11/33/90/583113390.db2.gz OHKZWDJCEQIUFL-WCABBAIRSA-N 1 0 221.369 3.296 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cc2c(s1)CCC2 ZINC000120485380 323987129 /nfs/dbraw/zinc/98/71/29/323987129.db2.gz OHKZWDJCEQIUFL-ATZCPNFKSA-N 1 0 221.369 3.296 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000120487723 387250585 /nfs/dbraw/zinc/25/05/85/387250585.db2.gz CPYSCVYENXWXDK-AQUOVQTQSA-N 1 0 225.282 3.414 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(F)cc1F ZINC000120488080 171549524 /nfs/dbraw/zinc/54/95/24/171549524.db2.gz CPYSCVYENXWXDK-HJIKLVIJSA-N 1 0 225.282 3.414 10 0 BGAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000120500206 384359457 /nfs/dbraw/zinc/35/94/57/384359457.db2.gz LMMIBRDAKIOUKX-FJJYHAOUSA-N 1 0 233.355 3.185 10 0 BGAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000120500368 384357426 /nfs/dbraw/zinc/35/74/26/384357426.db2.gz LMMIBRDAKIOUKX-OXIQGZBJSA-N 1 0 233.355 3.185 10 0 BGAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000120500529 384359411 /nfs/dbraw/zinc/35/94/11/384359411.db2.gz LMMIBRDAKIOUKX-MCYUEQNJSA-N 1 0 233.355 3.185 10 0 BGAERO COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000120500681 384357772 /nfs/dbraw/zinc/35/77/72/384357772.db2.gz LMMIBRDAKIOUKX-OZTPJHRESA-N 1 0 233.355 3.185 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000120501500 384359425 /nfs/dbraw/zinc/35/94/25/384359425.db2.gz XEBQIFYLDATXCP-KWCYVHTRSA-N 1 0 243.350 3.431 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000120501816 384359235 /nfs/dbraw/zinc/35/92/35/384359235.db2.gz XEBQIFYLDATXCP-MRVWCRGKSA-N 1 0 243.350 3.431 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CSCCc2ccccc21 ZINC000120524539 384358307 /nfs/dbraw/zinc/35/83/07/384358307.db2.gz CUUAQZNGXHJLDL-DDTOSNHZSA-N 1 0 233.380 3.015 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CSCCc2ccccc21 ZINC000120524869 384359421 /nfs/dbraw/zinc/35/94/21/384359421.db2.gz CUUAQZNGXHJLDL-LERXQTSPSA-N 1 0 233.380 3.015 10 0 BGAERO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000120532872 387188045 /nfs/dbraw/zinc/18/80/45/387188045.db2.gz XYCUQPSIDZDTAN-PTRXPTGYSA-N 1 0 239.746 3.408 10 0 BGAERO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000120533025 387188496 /nfs/dbraw/zinc/18/84/96/387188496.db2.gz XYCUQPSIDZDTAN-AUTRQRHGSA-N 1 0 239.746 3.408 10 0 BGAERO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000120533201 323988422 /nfs/dbraw/zinc/98/84/22/323988422.db2.gz XYCUQPSIDZDTAN-VDDIYKPWSA-N 1 0 239.746 3.408 10 0 BGAERO COc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000120533347 387189427 /nfs/dbraw/zinc/18/94/27/387189427.db2.gz XYCUQPSIDZDTAN-HOTUBEGUSA-N 1 0 239.746 3.408 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000120534262 387189517 /nfs/dbraw/zinc/18/95/17/387189517.db2.gz FYFOPYBNCGOFSB-WQHBLYJGSA-N 1 0 221.731 3.325 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000120534492 323988439 /nfs/dbraw/zinc/98/84/39/323988439.db2.gz FYFOPYBNCGOFSB-BZHVJNSISA-N 1 0 221.731 3.325 10 0 BGAERO Cc1cccc(C[C@H]([NH2+][C@@H]2C[C@@H]2C)C2CC2)c1 ZINC000120547828 323989105 /nfs/dbraw/zinc/98/91/05/323989105.db2.gz LYOFZFCPOAIFJH-MAZHCROVSA-N 1 0 229.367 3.314 10 0 BGAERO Cc1cccc(C[C@H]([NH2+][C@H]2C[C@@H]2C)C2CC2)c1 ZINC000120548112 323989492 /nfs/dbraw/zinc/98/94/92/323989492.db2.gz LYOFZFCPOAIFJH-RCBQFDQVSA-N 1 0 229.367 3.314 10 0 BGAERO COc1ccccc1C[C@H]([NH2+][C@H]1C[C@H]1C)C(C)C ZINC000120548591 323989154 /nfs/dbraw/zinc/98/91/54/323989154.db2.gz QLSWZBLWCNGSAT-SNPRPXQTSA-N 1 0 247.382 3.260 10 0 BGAERO COc1ccccc1C[C@H]([NH2+][C@H]1C[C@@H]1C)C(C)C ZINC000120548757 387191810 /nfs/dbraw/zinc/19/18/10/387191810.db2.gz QLSWZBLWCNGSAT-QEJZJMRPSA-N 1 0 247.382 3.260 10 0 BGAERO COc1ccccc1C[C@H]([NH2+][C@@H]1C[C@H]1C)C(C)C ZINC000120548910 323989345 /nfs/dbraw/zinc/98/93/45/323989345.db2.gz QLSWZBLWCNGSAT-VHDGCEQUSA-N 1 0 247.382 3.260 10 0 BGAERO COc1ccccc1C[C@H]([NH2+][C@@H]1C[C@@H]1C)C(C)C ZINC000120549054 323988937 /nfs/dbraw/zinc/98/89/37/323988937.db2.gz QLSWZBLWCNGSAT-AEGPPILISA-N 1 0 247.382 3.260 10 0 BGAERO Cc1ccc(C[C@H]([NH2+][C@@H]2C[C@@H]2C)C2CC2)cc1 ZINC000120568636 387191690 /nfs/dbraw/zinc/19/16/90/387191690.db2.gz QAYCHTFBAOZSCY-MAZHCROVSA-N 1 0 229.367 3.314 10 0 BGAERO Cc1ccc(C[C@H]([NH2+][C@H]2C[C@@H]2C)C2CC2)cc1 ZINC000120568939 323990000 /nfs/dbraw/zinc/99/00/00/323990000.db2.gz QAYCHTFBAOZSCY-RCBQFDQVSA-N 1 0 229.367 3.314 10 0 BGAERO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000120596995 387255676 /nfs/dbraw/zinc/25/56/76/387255676.db2.gz QPWLGIYTCRZGQL-BXUZGUMPSA-N 1 0 249.402 3.220 10 0 BGAERO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000120597143 171280249 /nfs/dbraw/zinc/28/02/49/171280249.db2.gz QPWLGIYTCRZGQL-SMDDNHRTSA-N 1 0 249.402 3.220 10 0 BGAERO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@@H](C)CC)C1 ZINC000120601326 172029065 /nfs/dbraw/zinc/02/90/65/172029065.db2.gz JUDDSRGPKIKPLR-UONOGXRCSA-N 1 0 249.402 3.129 10 0 BGAERO CCc1nccn1[C@H]1CCC[N@@H+](C[C@@H](C)CC)C1 ZINC000120601492 172030133 /nfs/dbraw/zinc/03/01/33/172030133.db2.gz JUDDSRGPKIKPLR-KBPBESRZSA-N 1 0 249.402 3.129 10 0 BGAERO C[C@H]1OCC[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000120685473 387194643 /nfs/dbraw/zinc/19/46/43/387194643.db2.gz VKCRMDUOTIOKLZ-BLYZHGLHSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000120685620 387194111 /nfs/dbraw/zinc/19/41/11/387194111.db2.gz VKCRMDUOTIOKLZ-GFJIZPEISA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H]1OCC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000120685765 323993565 /nfs/dbraw/zinc/99/35/65/323993565.db2.gz VKCRMDUOTIOKLZ-RYSNWHEDSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000120685900 323993634 /nfs/dbraw/zinc/99/36/34/323993634.db2.gz VKCRMDUOTIOKLZ-ABXWRUBCSA-N 1 0 239.403 3.358 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc(F)cc1 ZINC000120693208 384372282 /nfs/dbraw/zinc/37/22/82/384372282.db2.gz IEMTVHYUARRJSG-DDTOSNHZSA-N 1 0 237.318 3.044 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc(F)cc1 ZINC000120693534 384373367 /nfs/dbraw/zinc/37/33/67/384373367.db2.gz IEMTVHYUARRJSG-SWHYSGLUSA-N 1 0 237.318 3.044 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000120697959 323993493 /nfs/dbraw/zinc/99/34/93/323993493.db2.gz TXZYYFIDDRWVKB-WOSRLPQWSA-N 1 0 247.382 3.467 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000120698286 323993721 /nfs/dbraw/zinc/99/37/21/323993721.db2.gz TXZYYFIDDRWVKB-ZENOOKHLSA-N 1 0 247.382 3.467 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1C ZINC000120698576 178896847 /nfs/dbraw/zinc/89/68/47/178896847.db2.gz DMPPKCQSMPUIQO-GZBFAFLISA-N 1 0 233.355 3.131 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1C ZINC000120698929 384376416 /nfs/dbraw/zinc/37/64/16/384376416.db2.gz DMPPKCQSMPUIQO-GUTXKFCHSA-N 1 0 233.355 3.131 10 0 BGAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]CC(C)C ZINC000120804569 187294406 /nfs/dbraw/zinc/29/44/06/187294406.db2.gz FQFGHLFREMQHAO-GFCCVEGCSA-N 1 0 245.370 3.363 10 0 BGAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]CC(C)C ZINC000120804744 188328700 /nfs/dbraw/zinc/32/87/00/188328700.db2.gz FQFGHLFREMQHAO-LBPRGKRZSA-N 1 0 245.370 3.363 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1CCOC1 ZINC000121001469 384392382 /nfs/dbraw/zinc/39/23/82/384392382.db2.gz IXUHKAGRJADYON-RQJABVFESA-N 1 0 239.403 3.216 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C)oc1C ZINC000121140570 589503458 /nfs/dbraw/zinc/50/34/58/589503458.db2.gz UUQRCSAFLFNYQI-YPMHNXCESA-N 1 0 207.317 3.175 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(C)oc1C ZINC000121140740 589503665 /nfs/dbraw/zinc/50/36/65/589503665.db2.gz UUQRCSAFLFNYQI-AAEUAGOBSA-N 1 0 207.317 3.175 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C)oc1C ZINC000121140909 589503490 /nfs/dbraw/zinc/50/34/90/589503490.db2.gz UUQRCSAFLFNYQI-DGCLKSJQSA-N 1 0 207.317 3.175 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(C)oc1C ZINC000121141064 589503408 /nfs/dbraw/zinc/50/34/08/589503408.db2.gz UUQRCSAFLFNYQI-WCQYABFASA-N 1 0 207.317 3.175 10 0 BGAERO CC[C@@H](C)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000121165782 387304302 /nfs/dbraw/zinc/30/43/02/387304302.db2.gz LIGFCMVUXRDRPP-VXGBXAGGSA-N 1 0 207.317 3.463 10 0 BGAERO CC[C@H](C)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000121165955 171281244 /nfs/dbraw/zinc/28/12/44/171281244.db2.gz LIGFCMVUXRDRPP-NWDGAFQWSA-N 1 0 207.317 3.463 10 0 BGAERO CCSCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000121177069 387306521 /nfs/dbraw/zinc/30/65/21/387306521.db2.gz MQXJPHRBJGJOGD-LLVKDONJSA-N 1 0 225.357 3.170 10 0 BGAERO CCSCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000121177261 387307658 /nfs/dbraw/zinc/30/76/58/387307658.db2.gz MQXJPHRBJGJOGD-NSHDSACASA-N 1 0 225.357 3.170 10 0 BGAERO COc1cccc(C[C@H]([NH2+][C@H]2C[C@H]2C)C2CC2)c1 ZINC000121267938 175272491 /nfs/dbraw/zinc/27/24/91/175272491.db2.gz ZTLINSNFMINLAY-RLCCDNCMSA-N 1 0 245.366 3.014 10 0 BGAERO COc1cccc(C[C@H]([NH2+][C@H]2C[C@@H]2C)C2CC2)c1 ZINC000121268070 175272360 /nfs/dbraw/zinc/27/23/60/175272360.db2.gz ZTLINSNFMINLAY-UVBJJODRSA-N 1 0 245.366 3.014 10 0 BGAERO COc1cccc(C[C@H]([NH2+][C@@H]2C[C@H]2C)C2CC2)c1 ZINC000121268157 175272392 /nfs/dbraw/zinc/27/23/92/175272392.db2.gz ZTLINSNFMINLAY-LYRGGWFBSA-N 1 0 245.366 3.014 10 0 BGAERO COc1cccc(C[C@H]([NH2+][C@@H]2C[C@@H]2C)C2CC2)c1 ZINC000121268274 175272497 /nfs/dbraw/zinc/27/24/97/175272497.db2.gz ZTLINSNFMINLAY-XZJROXQQSA-N 1 0 245.366 3.014 10 0 BGAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@@H]1C ZINC000121281250 180534868 /nfs/dbraw/zinc/53/48/68/180534868.db2.gz DJKOJWYRDLRGML-TVQRCGJNSA-N 1 0 215.296 3.239 10 0 BGAERO Cc1oc2ccccc2c1C[NH2+][C@H]1C[C@@H]1C ZINC000121281405 387322798 /nfs/dbraw/zinc/32/27/98/387322798.db2.gz DJKOJWYRDLRGML-ZANVPECISA-N 1 0 215.296 3.239 10 0 BGAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1C[C@H]1C ZINC000121281590 387323452 /nfs/dbraw/zinc/32/34/52/387323452.db2.gz DJKOJWYRDLRGML-NOZJJQNGSA-N 1 0 215.296 3.239 10 0 BGAERO Cc1oc2ccccc2c1C[NH2+][C@H]1C[C@H]1C ZINC000121281749 387323355 /nfs/dbraw/zinc/32/33/55/387323355.db2.gz DJKOJWYRDLRGML-RNCFNFMXSA-N 1 0 215.296 3.239 10 0 BGAERO Cc1cccc(NCCc2ccc(F)cc2F)[nH+]1 ZINC000121571583 179147179 /nfs/dbraw/zinc/14/71/79/179147179.db2.gz NGJDUGXHLVAVOB-UHFFFAOYSA-N 1 0 248.276 3.323 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000121920881 171057878 /nfs/dbraw/zinc/05/78/78/171057878.db2.gz AFFQVMXNJNHUHG-XQQFMLRXSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)CC(C)(C)OC)C1 ZINC000121921150 171039707 /nfs/dbraw/zinc/03/97/07/171039707.db2.gz AFFQVMXNJNHUHG-YNEHKIRRSA-N 1 0 227.392 3.358 10 0 BGAERO CCC(CC)[NH2+]CC1(CCOC)CCCC1 ZINC000122423786 538111406 /nfs/dbraw/zinc/11/14/06/538111406.db2.gz KPTIEIQNBCQSMQ-UHFFFAOYSA-N 1 0 227.392 3.362 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000122572281 324049702 /nfs/dbraw/zinc/04/97/02/324049702.db2.gz DKDMRHJFVDONBU-XDQVBPFNSA-N 1 0 227.392 3.072 10 0 BGAERO CC(C)C[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122574694 323100723 /nfs/dbraw/zinc/10/07/23/323100723.db2.gz HKVLMYFTZWETIQ-MGPQQGTHSA-N 1 0 227.392 3.072 10 0 BGAERO CC(C)C[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122574908 324049095 /nfs/dbraw/zinc/04/90/95/324049095.db2.gz HKVLMYFTZWETIQ-BFHYXJOUSA-N 1 0 227.392 3.072 10 0 BGAERO CCCC[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122576281 324049158 /nfs/dbraw/zinc/04/91/58/324049158.db2.gz LXFUJLRIFHBSCZ-MGPQQGTHSA-N 1 0 227.392 3.216 10 0 BGAERO CCCC[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000122576519 324049611 /nfs/dbraw/zinc/04/96/11/324049611.db2.gz LXFUJLRIFHBSCZ-BFHYXJOUSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C(C)C)C(C)C ZINC000122578549 324048989 /nfs/dbraw/zinc/04/89/89/324048989.db2.gz NOYYTNJIXUJGME-MELADBBJSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCO[C@@H]1C(C)C)C(C)C ZINC000122578946 324049445 /nfs/dbraw/zinc/04/94/45/324049445.db2.gz NOYYTNJIXUJGME-HZSPNIEDSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@@H]([NH2+]C[C@H]1CCO[C@@H]1C(C)C)C(C)C ZINC000122579165 324049373 /nfs/dbraw/zinc/04/93/73/324049373.db2.gz NOYYTNJIXUJGME-MGPQQGTHSA-N 1 0 227.392 3.072 10 0 BGAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000122582196 324049362 /nfs/dbraw/zinc/04/93/62/324049362.db2.gz MQTNWCPCOBRZIQ-AVGNSLFASA-N 1 0 227.392 3.072 10 0 BGAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)C(C)(C)C ZINC000122582683 324050268 /nfs/dbraw/zinc/05/02/68/324050268.db2.gz MQTNWCPCOBRZIQ-XQQFMLRXSA-N 1 0 227.392 3.072 10 0 BGAERO CC1CCC(C[NH2+]C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000123055468 490192659 /nfs/dbraw/zinc/19/26/59/490192659.db2.gz NDXWZBTUGHJTGC-CEUNDQEZSA-N 1 0 239.403 3.358 10 0 BGAERO CC1CCC(C[NH2+]C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000123055703 490193030 /nfs/dbraw/zinc/19/30/30/490193030.db2.gz NDXWZBTUGHJTGC-QPPOZKHWSA-N 1 0 239.403 3.358 10 0 BGAERO Cc1ccc([C@@H]2CCC[C@H](C)[NH2+]2)cc1F ZINC000123143109 583013415 /nfs/dbraw/zinc/01/34/15/583013415.db2.gz IKXVNKZLJBYXTD-GWCFXTLKSA-N 1 0 207.292 3.337 10 0 BGAERO Cc1ccc([C@H]2CCC[C@H](C)[NH2+]2)cc1F ZINC000123143329 583013470 /nfs/dbraw/zinc/01/34/70/583013470.db2.gz IKXVNKZLJBYXTD-GXFFZTMASA-N 1 0 207.292 3.337 10 0 BGAERO Cc1ccc([C@@H]2CCC[C@@H](C)[NH2+]2)cc1F ZINC000123143550 583013778 /nfs/dbraw/zinc/01/37/78/583013778.db2.gz IKXVNKZLJBYXTD-MFKMUULPSA-N 1 0 207.292 3.337 10 0 BGAERO Cc1ccc([C@H]2CCC[C@@H](C)[NH2+]2)cc1F ZINC000123143769 583013260 /nfs/dbraw/zinc/01/32/60/583013260.db2.gz IKXVNKZLJBYXTD-ZWNOBZJWSA-N 1 0 207.292 3.337 10 0 BGAERO CCCC(C)(C)[NH2+]CCc1ccccc1 ZINC000123162382 589670658 /nfs/dbraw/zinc/67/06/58/589670658.db2.gz CDGAXIGLSHGCPI-UHFFFAOYSA-N 1 0 205.345 3.397 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000123283422 384547637 /nfs/dbraw/zinc/54/76/37/384547637.db2.gz PDBMXBAHBWVJJZ-YPMHNXCESA-N 1 0 239.384 3.046 10 0 BGAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H]1c1cccs1 ZINC000123283623 171177088 /nfs/dbraw/zinc/17/70/88/171177088.db2.gz PDBMXBAHBWVJJZ-DGCLKSJQSA-N 1 0 239.384 3.046 10 0 BGAERO CC[C@](C)(O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000123323820 387684659 /nfs/dbraw/zinc/68/46/59/387684659.db2.gz URHXIDSVXODWBP-INIZCTEOSA-N 1 0 247.382 3.027 10 0 BGAERO CC[C@@](C)(O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000123324078 171178315 /nfs/dbraw/zinc/17/83/15/171178315.db2.gz URHXIDSVXODWBP-MRXNPFEDSA-N 1 0 247.382 3.027 10 0 BGAERO CC[C@](C)(O)C[N@H+](C)CCCCc1ccccc1 ZINC000123416083 324395313 /nfs/dbraw/zinc/39/53/13/324395313.db2.gz KJUBFXJYMRHLTH-INIZCTEOSA-N 1 0 249.398 3.102 10 0 BGAERO CC[C@@](C)(O)C[N@H+](C)CCCCc1ccccc1 ZINC000123416288 324395639 /nfs/dbraw/zinc/39/56/39/324395639.db2.gz KJUBFXJYMRHLTH-MRXNPFEDSA-N 1 0 249.398 3.102 10 0 BGAERO CC[N@H+](Cc1ccc2ccccc2n1)C1CC1 ZINC000123854894 345019525 /nfs/dbraw/zinc/01/95/25/345019525.db2.gz HLBLJEMBOHUSEG-UHFFFAOYSA-N 1 0 226.323 3.219 10 0 BGAERO CCCCCC[C@@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123978349 589889272 /nfs/dbraw/zinc/88/92/72/589889272.db2.gz BFGVJKIUGINLHU-CQSZACIVSA-N 1 0 237.391 3.140 10 0 BGAERO CCCCCC[C@H](C)[NH2+]CCn1cc(C)cn1 ZINC000123978497 589889572 /nfs/dbraw/zinc/88/95/72/589889572.db2.gz BFGVJKIUGINLHU-AWEZNQCLSA-N 1 0 237.391 3.140 10 0 BGAERO C[N@@H+](Cc1ccc2ccccc2n1)CC1CC1 ZINC000123985444 384600515 /nfs/dbraw/zinc/60/05/15/384600515.db2.gz VWTSAZIKAJVKHW-UHFFFAOYSA-N 1 0 226.323 3.077 10 0 BGAERO CCn1cccc1CN[C@H](C)c1ncc(C)s1 ZINC000124042833 172209972 /nfs/dbraw/zinc/20/99/72/172209972.db2.gz QSKSITTVSBVPQK-LLVKDONJSA-N 1 0 249.383 3.124 10 0 BGAERO CCC[N@H+](C)Cc1ccc2ccccc2n1 ZINC000124146917 169081013 /nfs/dbraw/zinc/08/10/13/169081013.db2.gz ILNSSKNSLGJZLY-UHFFFAOYSA-N 1 0 214.312 3.077 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000124217937 324611644 /nfs/dbraw/zinc/61/16/44/324611644.db2.gz WZGLFZKVXUCASU-MRVPVSSYSA-N 1 0 231.261 3.238 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1cc(F)c(F)cc1F ZINC000124218141 322998793 /nfs/dbraw/zinc/99/87/93/322998793.db2.gz WZGLFZKVXUCASU-QMMMGPOBSA-N 1 0 231.261 3.238 10 0 BGAERO FCCC[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000124248535 343545919 /nfs/dbraw/zinc/54/59/19/343545919.db2.gz DHBKYOWRUIIGDH-DTWKUNHWSA-N 1 0 227.245 3.057 10 0 BGAERO CC[N@H+](Cc1ccc2ccccc2n1)C(C)C ZINC000124277424 345035602 /nfs/dbraw/zinc/03/56/02/345035602.db2.gz ZAUOZONSYKKMJZ-UHFFFAOYSA-N 1 0 228.339 3.465 10 0 BGAERO CCC(CC)C[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000124324531 168361530 /nfs/dbraw/zinc/36/15/30/168361530.db2.gz XOQNXOYGBFPLTJ-UONOGXRCSA-N 1 0 227.392 3.073 10 0 BGAERO CCC(CC)C[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000124324727 168361415 /nfs/dbraw/zinc/36/14/15/168361415.db2.gz XOQNXOYGBFPLTJ-ZIAGYGMSSA-N 1 0 227.392 3.073 10 0 BGAERO CCC(CC)C[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000124324962 168361469 /nfs/dbraw/zinc/36/14/69/168361469.db2.gz XOQNXOYGBFPLTJ-KBPBESRZSA-N 1 0 227.392 3.073 10 0 BGAERO CCC(CC)C[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000124325205 168361554 /nfs/dbraw/zinc/36/15/54/168361554.db2.gz XOQNXOYGBFPLTJ-KGLIPLIRSA-N 1 0 227.392 3.073 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124594470 490379449 /nfs/dbraw/zinc/37/94/49/490379449.db2.gz AHZYKPPUSMNTSK-KCJUWKMLSA-N 1 0 211.255 3.122 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124594618 490251210 /nfs/dbraw/zinc/25/12/10/490251210.db2.gz AHZYKPPUSMNTSK-KWQFWETISA-N 1 0 211.255 3.122 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124594771 490380041 /nfs/dbraw/zinc/38/00/41/490380041.db2.gz AHZYKPPUSMNTSK-LDYMZIIASA-N 1 0 211.255 3.122 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C(F)F)cc1 ZINC000124594923 490379986 /nfs/dbraw/zinc/37/99/86/490379986.db2.gz AHZYKPPUSMNTSK-GZMMTYOYSA-N 1 0 211.255 3.122 10 0 BGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C/Cl ZINC000124630600 590067669 /nfs/dbraw/zinc/06/76/69/590067669.db2.gz JPZCDCNCYLVHMH-CTXMHQRVSA-N 1 0 241.684 3.450 10 0 BGAERO COCCC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124631079 174229254 /nfs/dbraw/zinc/22/92/54/174229254.db2.gz OIKCZGCXJLNYAR-ZDUSSCGKSA-N 1 0 237.343 3.152 10 0 BGAERO COCCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124631285 174228563 /nfs/dbraw/zinc/22/85/63/174228563.db2.gz OIKCZGCXJLNYAR-CYBMUJFWSA-N 1 0 237.343 3.152 10 0 BGAERO Cc1ccc([C@@H]2CCCCN2Cc2ccon2)o1 ZINC000124683873 384667507 /nfs/dbraw/zinc/66/75/07/384667507.db2.gz QSDNIJYTNJYPGV-ZDUSSCGKSA-N 1 0 246.310 3.303 10 0 BGAERO Cc1ccc([C@H]2CCCCN2Cc2ccon2)o1 ZINC000124684101 384666768 /nfs/dbraw/zinc/66/67/68/384666768.db2.gz QSDNIJYTNJYPGV-CYBMUJFWSA-N 1 0 246.310 3.303 10 0 BGAERO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@@H]2CCCO2)o1 ZINC000124716849 488082625 /nfs/dbraw/zinc/08/26/25/488082625.db2.gz OHGACOFXTFAQFM-KBPBESRZSA-N 1 0 249.354 3.294 10 0 BGAERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@@H]2CCCO2)o1 ZINC000124717099 488082579 /nfs/dbraw/zinc/08/25/79/488082579.db2.gz OHGACOFXTFAQFM-UONOGXRCSA-N 1 0 249.354 3.294 10 0 BGAERO CCOCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000124732646 170397656 /nfs/dbraw/zinc/39/76/56/170397656.db2.gz KFXUBXAQMVBDKV-CYBMUJFWSA-N 1 0 237.343 3.152 10 0 BGAERO CCOCC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000124732859 170397587 /nfs/dbraw/zinc/39/75/87/170397587.db2.gz KFXUBXAQMVBDKV-ZDUSSCGKSA-N 1 0 237.343 3.152 10 0 BGAERO CCC1CCC([NH2+][C@@H](C)c2ncc[nH]2)CC1 ZINC000124739982 590080283 /nfs/dbraw/zinc/08/02/83/590080283.db2.gz HBUGHLDCIWMITE-UNXYVOJBSA-N 1 0 221.348 3.029 10 0 BGAERO CCC1CCC([NH2+][C@H](C)c2ncc[nH]2)CC1 ZINC000124740248 590080125 /nfs/dbraw/zinc/08/01/25/590080125.db2.gz HBUGHLDCIWMITE-VOMCLLRMSA-N 1 0 221.348 3.029 10 0 BGAERO CCOC1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000124763106 170329105 /nfs/dbraw/zinc/32/91/05/170329105.db2.gz AUSXVIJVZNZJQU-HSBZDZAISA-N 1 0 233.355 3.213 10 0 BGAERO CCOC1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC000124763374 170330091 /nfs/dbraw/zinc/33/00/91/170330091.db2.gz AUSXVIJVZNZJQU-IYXRBSQSSA-N 1 0 233.355 3.213 10 0 BGAERO CC[N@@H+](Cc1ccc2ccccc2n1)CC1CC1 ZINC000124906588 345057687 /nfs/dbraw/zinc/05/76/87/345057687.db2.gz JPEYJGDVWNSMDJ-UHFFFAOYSA-N 1 0 240.350 3.467 10 0 BGAERO CCN1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC000125081936 388668554 /nfs/dbraw/zinc/66/85/54/388668554.db2.gz NKZUPSIUGNJNCK-HNNXBMFYSA-N 1 0 238.419 3.031 10 0 BGAERO CCN1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC000125082180 323000615 /nfs/dbraw/zinc/00/06/15/323000615.db2.gz NKZUPSIUGNJNCK-OAHLLOKOSA-N 1 0 238.419 3.031 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000125100725 388667864 /nfs/dbraw/zinc/66/78/64/388667864.db2.gz SWVZOVWXWVXSDB-HQJQHLMTSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000125100944 388668485 /nfs/dbraw/zinc/66/84/85/388668485.db2.gz SWVZOVWXWVXSDB-CPCISQLKSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000125101138 388668278 /nfs/dbraw/zinc/66/82/78/388668278.db2.gz SWVZOVWXWVXSDB-RDDDGLTNSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000125101335 388668653 /nfs/dbraw/zinc/66/86/53/388668653.db2.gz SWVZOVWXWVXSDB-WRWORJQWSA-N 1 0 247.235 3.343 10 0 BGAERO O[C@H]1CCCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC000125104466 388667871 /nfs/dbraw/zinc/66/78/71/388667871.db2.gz BUXKNFUYFLSOPA-GJZGRUSLSA-N 1 0 239.403 3.098 10 0 BGAERO O[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC000125105125 388668446 /nfs/dbraw/zinc/66/84/46/388668446.db2.gz BUXKNFUYFLSOPA-HUUCEWRRSA-N 1 0 239.403 3.098 10 0 BGAERO CC[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000125143756 171010875 /nfs/dbraw/zinc/01/08/75/171010875.db2.gz DTLNJOQFVPDSJV-CYBMUJFWSA-N 1 0 240.350 3.467 10 0 BGAERO CC[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000125143984 387645978 /nfs/dbraw/zinc/64/59/78/387645978.db2.gz DTLNJOQFVPDSJV-ZDUSSCGKSA-N 1 0 240.350 3.467 10 0 BGAERO C1=CCC([NH2+]Cc2ccnc3ccccc23)C1 ZINC000125253733 490423078 /nfs/dbraw/zinc/42/30/78/490423078.db2.gz SDMPOQJTYILHQS-UHFFFAOYSA-N 1 0 224.307 3.043 10 0 BGAERO CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000125261911 388670465 /nfs/dbraw/zinc/67/04/65/388670465.db2.gz GVLSBLVMHHSTOS-CYBMUJFWSA-N 1 0 203.329 3.310 10 0 BGAERO CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000125262128 388670348 /nfs/dbraw/zinc/67/03/48/388670348.db2.gz GVLSBLVMHHSTOS-ZDUSSCGKSA-N 1 0 203.329 3.310 10 0 BGAERO C[C@@H]1CCC[N@H+](CCC2CCCCC2)[C@@H]1CN ZINC000125283340 176098768 /nfs/dbraw/zinc/09/87/68/176098768.db2.gz ICIQOQXYVAMRMK-UKRRQHHQSA-N 1 0 238.419 3.016 10 0 BGAERO C[C@H]1CCC[N@H+](CCC2CCCCC2)[C@@H]1CN ZINC000125283566 177097560 /nfs/dbraw/zinc/09/75/60/177097560.db2.gz ICIQOQXYVAMRMK-DZGCQCFKSA-N 1 0 238.419 3.016 10 0 BGAERO CC(C)[C@@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000125392528 324640089 /nfs/dbraw/zinc/64/00/89/324640089.db2.gz ULOYJKZWRRZJIM-ZYOFXKKJSA-N 1 0 221.319 3.473 10 0 BGAERO CC(C)[C@H](C)[NH2+]C/C=C/c1ccc(F)cc1 ZINC000125392774 388672197 /nfs/dbraw/zinc/67/21/97/388672197.db2.gz ULOYJKZWRRZJIM-ITKZLYELSA-N 1 0 221.319 3.473 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000125604680 388673017 /nfs/dbraw/zinc/67/30/17/388673017.db2.gz NFQYMBCHUWMRFO-HZSPNIEDSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000125605120 324645779 /nfs/dbraw/zinc/64/57/79/324645779.db2.gz NFQYMBCHUWMRFO-RDBSUJKOSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000125854526 324659588 /nfs/dbraw/zinc/65/95/88/324659588.db2.gz AIKOCYOUODILQU-AAEUAGOBSA-N 1 0 207.361 3.345 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CC2(C3CC3)CC2)C1 ZINC000125854686 324659593 /nfs/dbraw/zinc/65/95/93/324659593.db2.gz AIKOCYOUODILQU-DGCLKSJQSA-N 1 0 207.361 3.345 10 0 BGAERO CCCCc1noc([C@@H](C)[NH2+][C@@H](C)C(C)C)n1 ZINC000125868969 169031585 /nfs/dbraw/zinc/03/15/85/169031585.db2.gz HZZNFVHKZHWVRZ-WDEREUQCSA-N 1 0 239.363 3.107 10 0 BGAERO CCCCc1noc([C@H](C)[NH2+][C@@H](C)C(C)C)n1 ZINC000125869142 169032139 /nfs/dbraw/zinc/03/21/39/169032139.db2.gz HZZNFVHKZHWVRZ-QWRGUYRKSA-N 1 0 239.363 3.107 10 0 BGAERO CCCCc1noc([C@@H](C)[NH2+][C@H](C)C(C)C)n1 ZINC000125869361 169030197 /nfs/dbraw/zinc/03/01/97/169030197.db2.gz HZZNFVHKZHWVRZ-GHMZBOCLSA-N 1 0 239.363 3.107 10 0 BGAERO CCCCc1noc([C@H](C)[NH2+][C@H](C)C(C)C)n1 ZINC000125869554 169032678 /nfs/dbraw/zinc/03/26/78/169032678.db2.gz HZZNFVHKZHWVRZ-MNOVXSKESA-N 1 0 239.363 3.107 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]1C)CCC2 ZINC000126134288 178957064 /nfs/dbraw/zinc/95/70/64/178957064.db2.gz MEBRYTSGVQHPPY-NILFDRSVSA-N 1 0 215.340 3.370 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]1C)CCC2 ZINC000126134765 387674807 /nfs/dbraw/zinc/67/48/07/387674807.db2.gz MEBRYTSGVQHPPY-GLQYFDAESA-N 1 0 215.340 3.370 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000126276694 388692517 /nfs/dbraw/zinc/69/25/17/388692517.db2.gz QVLBZUMIZAOREM-ZWNOBZJWSA-N 1 0 225.282 3.243 10 0 BGAERO CC(C)(CO)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000126351804 490491623 /nfs/dbraw/zinc/49/16/23/490491623.db2.gz YQLGONSOTRUNBG-OLZOCXBDSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)(CO)C[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000126352036 490491349 /nfs/dbraw/zinc/49/13/49/490491349.db2.gz YQLGONSOTRUNBG-STQMWFEESA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)(CO)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000126352282 490491236 /nfs/dbraw/zinc/49/12/36/490491236.db2.gz YQLGONSOTRUNBG-CHWSQXEVSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)(CO)C[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000126352526 490491068 /nfs/dbraw/zinc/49/10/68/490491068.db2.gz YQLGONSOTRUNBG-QWHCGFSZSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)(C)[NH2+]Cc1csc(C(C)(C)C)n1 ZINC000126599342 324705762 /nfs/dbraw/zinc/70/57/62/324705762.db2.gz LKWQVLOFYAFPHZ-UHFFFAOYSA-N 1 0 226.389 3.329 10 0 BGAERO CCCCOCCC[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000126607968 324705854 /nfs/dbraw/zinc/70/58/54/324705854.db2.gz JPHJDSZHIPWLOG-ZIAGYGMSSA-N 1 0 227.392 3.362 10 0 BGAERO CCCCOCCC[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000126608213 324706291 /nfs/dbraw/zinc/70/62/91/324706291.db2.gz JPHJDSZHIPWLOG-KGLIPLIRSA-N 1 0 227.392 3.362 10 0 BGAERO FC(F)(F)c1ccc(C2(F)CC[NH2+]CC2)cc1 ZINC000126662889 384819990 /nfs/dbraw/zinc/81/99/90/384819990.db2.gz JDATYRUEWLDWEM-UHFFFAOYSA-N 1 0 247.235 3.254 10 0 BGAERO FC(F)(F)c1ccccc1C1(F)CC[NH2+]CC1 ZINC000126663581 180895582 /nfs/dbraw/zinc/89/55/82/180895582.db2.gz KCVHAPMAAYEFKQ-UHFFFAOYSA-N 1 0 247.235 3.254 10 0 BGAERO FC(F)(F)c1cccc(C2(F)CC[NH2+]CC2)c1 ZINC000126670944 384820562 /nfs/dbraw/zinc/82/05/62/384820562.db2.gz PZHMERSMUQZSHZ-UHFFFAOYSA-N 1 0 247.235 3.254 10 0 BGAERO C[C@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000126676726 388699466 /nfs/dbraw/zinc/69/94/66/388699466.db2.gz BAEIXXKURFQPTE-VOAKCMCISA-N 1 0 209.377 3.447 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(Cl)c(Br)c1 ZINC000126699461 344027285 /nfs/dbraw/zinc/02/72/85/344027285.db2.gz QHERJJUTPHQKFI-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1ccc(Cl)c(Br)c1 ZINC000126699685 345133088 /nfs/dbraw/zinc/13/30/88/345133088.db2.gz QHERJJUTPHQKFI-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000126743706 171056384 /nfs/dbraw/zinc/05/63/84/171056384.db2.gz IKACITQTPNRSGY-YPMHNXCESA-N 1 0 219.328 3.061 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)C1 ZINC000126744177 171040940 /nfs/dbraw/zinc/04/09/40/171040940.db2.gz IKACITQTPNRSGY-DGCLKSJQSA-N 1 0 219.328 3.061 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000126779238 136213573 /nfs/dbraw/zinc/21/35/73/136213573.db2.gz UMZTWKQYBIOZGE-PWSUYJOCSA-N 1 0 213.390 3.050 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+]C2CCSCC2)C1 ZINC000126779457 171648242 /nfs/dbraw/zinc/64/82/42/171648242.db2.gz UMZTWKQYBIOZGE-JQWIXIFHSA-N 1 0 213.390 3.050 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]C2CCSCC2)C1 ZINC000126779699 171039713 /nfs/dbraw/zinc/03/97/13/171039713.db2.gz UMZTWKQYBIOZGE-ZYHUDNBSSA-N 1 0 213.390 3.050 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126818905 167384436 /nfs/dbraw/zinc/38/44/36/167384436.db2.gz LEZLLTMHEMSSKI-ZJUUUORDSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)nc1 ZINC000126819131 384821091 /nfs/dbraw/zinc/82/10/91/384821091.db2.gz LEZLLTMHEMSSKI-UWVGGRQHSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126819339 167385380 /nfs/dbraw/zinc/38/53/80/167385380.db2.gz LEZLLTMHEMSSKI-NXEZZACHSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)nc1 ZINC000126819554 191008109 /nfs/dbraw/zinc/00/81/09/191008109.db2.gz LEZLLTMHEMSSKI-VHSXEESVSA-N 1 0 226.751 3.430 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]CC2CCSCC2)C1 ZINC000126832834 171056277 /nfs/dbraw/zinc/05/62/77/171056277.db2.gz HQVUIDYUKSUWES-YPMHNXCESA-N 1 0 227.417 3.298 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000126833296 171040546 /nfs/dbraw/zinc/04/05/46/171040546.db2.gz HQVUIDYUKSUWES-DGCLKSJQSA-N 1 0 227.417 3.298 10 0 BGAERO CC[C@H]1CC[C@@H]([NH2+]CC2CCSCC2)C1 ZINC000126833524 171642915 /nfs/dbraw/zinc/64/29/15/171642915.db2.gz HQVUIDYUKSUWES-WCQYABFASA-N 1 0 227.417 3.298 10 0 BGAERO CC1(C)C[C@H]([NH2+]CC2CC2)c2ccccc2O1 ZINC000126886686 358557393 /nfs/dbraw/zinc/55/73/93/358557393.db2.gz LUTVRQSZQQZTLL-ZDUSSCGKSA-N 1 0 231.339 3.288 10 0 BGAERO CC1(C)C[C@@H]([NH2+]CC2CC2)c2ccccc2O1 ZINC000126886914 358557496 /nfs/dbraw/zinc/55/74/96/358557496.db2.gz LUTVRQSZQQZTLL-CYBMUJFWSA-N 1 0 231.339 3.288 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]CCCCSC)C1 ZINC000126906504 171056024 /nfs/dbraw/zinc/05/60/24/171056024.db2.gz HIKXSWSSRBOQBS-NEPJUHHUSA-N 1 0 215.406 3.298 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CCCCSC)C1 ZINC000126906950 171040902 /nfs/dbraw/zinc/04/09/02/171040902.db2.gz HIKXSWSSRBOQBS-VXGBXAGGSA-N 1 0 215.406 3.298 10 0 BGAERO Cc1ccc(C[NH2+][C@H]2CCc3ccccc32)nc1 ZINC000126960084 490528819 /nfs/dbraw/zinc/52/88/19/490528819.db2.gz JJOKMLDVGHPVIR-INIZCTEOSA-N 1 0 238.334 3.167 10 0 BGAERO CC[C@@](C)([NH2+]C1CCCC1)c1nccs1 ZINC000126994066 171174377 /nfs/dbraw/zinc/17/43/77/171174377.db2.gz QWWRAGCDYYLLOJ-GFCCVEGCSA-N 1 0 224.373 3.301 10 0 BGAERO Nc1cc[nH+]cc1-c1ccc(Br)cc1 ZINC000127001499 342810845 /nfs/dbraw/zinc/81/08/45/342810845.db2.gz BVQXAKXMPYACKY-UHFFFAOYSA-N 1 0 249.111 3.093 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCF ZINC000127004865 388658011 /nfs/dbraw/zinc/65/80/11/388658011.db2.gz OVUASJVNYKVBTC-FRRDWIJNSA-N 1 0 215.356 3.396 10 0 BGAERO CC(C)(C)[NH2+]CC1CCC(F)(F)CC1 ZINC000127066217 538539479 /nfs/dbraw/zinc/53/94/79/538539479.db2.gz OGLNBWRXCCYDQJ-UHFFFAOYSA-N 1 0 205.292 3.200 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127159417 388715634 /nfs/dbraw/zinc/71/56/34/388715634.db2.gz APSFLPIGGFOLKK-WQHBLYJGSA-N 1 0 221.731 3.325 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccc(Cl)cc21 ZINC000127159888 388716522 /nfs/dbraw/zinc/71/65/22/388716522.db2.gz APSFLPIGGFOLKK-BZHVJNSISA-N 1 0 221.731 3.325 10 0 BGAERO [NH3+][C@H]1CC[C@@](F)(c2ccc(Cl)cc2)C1 ZINC000127183593 353265475 /nfs/dbraw/zinc/26/54/75/353265475.db2.gz CYSPULXNWMMQCW-QWRGUYRKSA-N 1 0 213.683 3.016 10 0 BGAERO [NH3+][C@H]1CC[C@](F)(c2ccc(Cl)cc2)C1 ZINC000127183833 353265092 /nfs/dbraw/zinc/26/50/92/353265092.db2.gz CYSPULXNWMMQCW-WDEREUQCSA-N 1 0 213.683 3.016 10 0 BGAERO [NH3+][C@@H]1CC[C@@](F)(c2ccc(Cl)cc2)C1 ZINC000127184023 353265448 /nfs/dbraw/zinc/26/54/48/353265448.db2.gz CYSPULXNWMMQCW-MNOVXSKESA-N 1 0 213.683 3.016 10 0 BGAERO [NH3+][C@@H]1CC[C@](F)(c2ccc(Cl)cc2)C1 ZINC000127184238 343998471 /nfs/dbraw/zinc/99/84/71/343998471.db2.gz CYSPULXNWMMQCW-GHMZBOCLSA-N 1 0 213.683 3.016 10 0 BGAERO COCCCCC[NH2+]CC1CCC(C)CC1 ZINC000127339481 324761044 /nfs/dbraw/zinc/76/10/44/324761044.db2.gz NPGNJBHMNUNHCP-UHFFFAOYSA-N 1 0 227.392 3.219 10 0 BGAERO CC(C)[C@H](C)[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000127578006 388726715 /nfs/dbraw/zinc/72/67/15/388726715.db2.gz MIOUTSOQSQDLAO-AEGPPILISA-N 1 0 217.356 3.424 10 0 BGAERO CC[N@@H+]1CCC[C@H](c2nc(C(C)C)cs2)C1 ZINC000127649050 358565171 /nfs/dbraw/zinc/56/51/71/358565171.db2.gz WZSOUTYMHKABKM-NSHDSACASA-N 1 0 238.400 3.466 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2nc(C(C)C)cs2)C1 ZINC000127649273 358565216 /nfs/dbraw/zinc/56/52/16/358565216.db2.gz WZSOUTYMHKABKM-LLVKDONJSA-N 1 0 238.400 3.466 10 0 BGAERO [NH3+][C@@H](CC(F)(F)F)c1cc(Cl)cs1 ZINC000127658267 344584840 /nfs/dbraw/zinc/58/48/40/344584840.db2.gz DHZJYVSLRAFGPY-YFKPBYRVSA-N 1 0 229.654 3.354 10 0 BGAERO [NH3+][C@H](CC(F)(F)F)c1cc(Cl)cs1 ZINC000127660136 344585072 /nfs/dbraw/zinc/58/50/72/344585072.db2.gz DHZJYVSLRAFGPY-RXMQYKEDSA-N 1 0 229.654 3.354 10 0 BGAERO [NH3+][C@@H](CC(F)(F)F)C1CCCCCC1 ZINC000127690962 344600885 /nfs/dbraw/zinc/60/08/85/344600885.db2.gz DWHXRZNWJXXIGX-VIFPVBQESA-N 1 0 209.255 3.237 10 0 BGAERO C[C@@H]1CCC[C@H]([C@@H]([NH3+])CC(F)(F)F)C1 ZINC000127691697 353274289 /nfs/dbraw/zinc/27/42/89/353274289.db2.gz FVHUPGKLQIJEFW-VGMNWLOBSA-N 1 0 209.255 3.092 10 0 BGAERO C[C@H]1CCC[C@H]([C@@H]([NH3+])CC(F)(F)F)C1 ZINC000127691920 353274336 /nfs/dbraw/zinc/27/43/36/353274336.db2.gz FVHUPGKLQIJEFW-CIUDSAMLSA-N 1 0 209.255 3.092 10 0 BGAERO C[C@@H]1CCC[C@@H]([C@@H]([NH3+])CC(F)(F)F)C1 ZINC000127692142 344600606 /nfs/dbraw/zinc/60/06/06/344600606.db2.gz FVHUPGKLQIJEFW-HLTSFMKQSA-N 1 0 209.255 3.092 10 0 BGAERO C[C@H]1CCC[C@@H]([C@@H]([NH3+])CC(F)(F)F)C1 ZINC000127692374 344600703 /nfs/dbraw/zinc/60/07/03/344600703.db2.gz FVHUPGKLQIJEFW-YIZRAAEISA-N 1 0 209.255 3.092 10 0 BGAERO [NH3+][C@H](CC(F)(F)F)C1CCCCCC1 ZINC000127693158 344605807 /nfs/dbraw/zinc/60/58/07/344605807.db2.gz DWHXRZNWJXXIGX-SECBINFHSA-N 1 0 209.255 3.237 10 0 BGAERO Cc1ccccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127732828 179307215 /nfs/dbraw/zinc/30/72/15/179307215.db2.gz SWUFXKUTTZSSQD-ZIAGYGMSSA-N 1 0 230.355 3.034 10 0 BGAERO Cc1ccccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000127733042 179306868 /nfs/dbraw/zinc/30/68/68/179306868.db2.gz SWUFXKUTTZSSQD-UONOGXRCSA-N 1 0 230.355 3.034 10 0 BGAERO Cc1ccccc1[C@@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000127737260 179317436 /nfs/dbraw/zinc/31/74/36/179317436.db2.gz WMVYMNAPYNNSOF-CHWSQXEVSA-N 1 0 235.396 3.493 10 0 BGAERO Cc1ccccc1[C@H](C)[N@@H+]1CCS[C@H](C)C1 ZINC000127737471 179336323 /nfs/dbraw/zinc/33/63/23/179336323.db2.gz WMVYMNAPYNNSOF-OLZOCXBDSA-N 1 0 235.396 3.493 10 0 BGAERO C[C@H]1OCC[C@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000127856246 324791774 /nfs/dbraw/zinc/79/17/74/324791774.db2.gz COSPRVYVGGVFJP-DGCLKSJQSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000127856480 388733171 /nfs/dbraw/zinc/73/31/71/388733171.db2.gz COSPRVYVGGVFJP-WCQYABFASA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H]1OCC[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000127856727 388732880 /nfs/dbraw/zinc/73/28/80/388732880.db2.gz COSPRVYVGGVFJP-YPMHNXCESA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CC(C)(C)CC(C)(C)C1 ZINC000127856935 384986921 /nfs/dbraw/zinc/98/69/21/384986921.db2.gz COSPRVYVGGVFJP-AAEUAGOBSA-N 1 0 239.403 3.358 10 0 BGAERO Cc1cc(NCC(F)F)c2cc(F)ccc2[nH+]1 ZINC000128118167 178156878 /nfs/dbraw/zinc/15/68/78/178156878.db2.gz CLMMLCAKDDYJND-UHFFFAOYSA-N 1 0 240.228 3.359 10 0 BGAERO Cc1cccc2c(NCC(F)F)cc[nH+]c12 ZINC000128119088 179210550 /nfs/dbraw/zinc/21/05/50/179210550.db2.gz ZWVFGGIMZIUCBN-UHFFFAOYSA-N 1 0 222.238 3.220 10 0 BGAERO CCN(CC)[C@@H](C)C[NH2+]C1CCCCCC1 ZINC000128239109 410195302 /nfs/dbraw/zinc/19/53/02/410195302.db2.gz XMVIJMYVEAEQNT-ZDUSSCGKSA-N 1 0 226.408 3.029 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCCSC1)C(C)(C)C ZINC000128260407 388742067 /nfs/dbraw/zinc/74/20/67/388742067.db2.gz CBJXFOIVPNRJNC-MNOVXSKESA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCCSC1)C(C)(C)C ZINC000128260680 324815444 /nfs/dbraw/zinc/81/54/44/324815444.db2.gz CBJXFOIVPNRJNC-GHMZBOCLSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCSC1)C(C)(C)C ZINC000128260867 388742599 /nfs/dbraw/zinc/74/25/99/388742599.db2.gz CBJXFOIVPNRJNC-QWRGUYRKSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCCSC1)C(C)(C)C ZINC000128261110 322961464 /nfs/dbraw/zinc/96/14/64/322961464.db2.gz CBJXFOIVPNRJNC-WDEREUQCSA-N 1 0 215.406 3.296 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128422499 388756097 /nfs/dbraw/zinc/75/60/97/388756097.db2.gz ZOYSUFOGVCOQGE-RRFJBIMHSA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)(C)CC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128458118 388761984 /nfs/dbraw/zinc/76/19/84/388761984.db2.gz NYSQICGEQIMCTD-UKRRQHHQSA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)(C)CC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128458368 388762158 /nfs/dbraw/zinc/76/21/58/388762158.db2.gz NYSQICGEQIMCTD-HIFRSBDPSA-N 1 0 239.403 3.050 10 0 BGAERO CCCn1ccc(C[NH2+][C@H]2CC[C@H](C)C2)c1 ZINC000128496969 169622942 /nfs/dbraw/zinc/62/29/42/169622942.db2.gz PAYKXTFMSCGAOA-JSGCOSHPSA-N 1 0 220.360 3.176 10 0 BGAERO CCCn1ccc(C[NH2+][C@H]2CC[C@@H](C)C2)c1 ZINC000128497436 169623177 /nfs/dbraw/zinc/62/31/77/169623177.db2.gz PAYKXTFMSCGAOA-OCCSQVGLSA-N 1 0 220.360 3.176 10 0 BGAERO CCCCCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000128516740 591100335 /nfs/dbraw/zinc/10/03/35/591100335.db2.gz JBMFEEODRUJIGR-HUUCEWRRSA-N 1 0 239.403 3.194 10 0 BGAERO CCCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000128516878 591100183 /nfs/dbraw/zinc/10/01/83/591100183.db2.gz JBMFEEODRUJIGR-CABCVRRESA-N 1 0 239.403 3.194 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000128527136 591112109 /nfs/dbraw/zinc/11/21/09/591112109.db2.gz YZCSMUMERDDBIO-KOLCDFICSA-N 1 0 239.746 3.324 10 0 BGAERO C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000128527338 591112626 /nfs/dbraw/zinc/11/26/26/591112626.db2.gz YZCSMUMERDDBIO-ONGXEEELSA-N 1 0 239.746 3.324 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000128527570 591112353 /nfs/dbraw/zinc/11/23/53/591112353.db2.gz YZCSMUMERDDBIO-MWLCHTKSSA-N 1 0 239.746 3.324 10 0 BGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)c(Cl)c2)C1 ZINC000128527800 591112886 /nfs/dbraw/zinc/11/28/86/591112886.db2.gz YZCSMUMERDDBIO-GXSJLCMTSA-N 1 0 239.746 3.324 10 0 BGAERO CCn1cccc1C[NH2+][C@@H]1CCC(C)(C)C1 ZINC000128610590 172208741 /nfs/dbraw/zinc/20/87/41/172208741.db2.gz GFOKWMSAZDAOKN-GFCCVEGCSA-N 1 0 220.360 3.176 10 0 BGAERO CCn1cccc1C[NH2+][C@H]1CCC(C)(C)C1 ZINC000128610853 172209715 /nfs/dbraw/zinc/20/97/15/172209715.db2.gz GFOKWMSAZDAOKN-LBPRGKRZSA-N 1 0 220.360 3.176 10 0 BGAERO C[C@@H](CC1CC1)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000128698378 386008880 /nfs/dbraw/zinc/00/88/80/386008880.db2.gz LRFZLWYSBIFHRF-BBRMVZONSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@H](CC1CC1)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000128698622 386008147 /nfs/dbraw/zinc/00/81/47/386008147.db2.gz LRFZLWYSBIFHRF-CJNGLKHVSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@@H](CC1CC1)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000128698844 386009009 /nfs/dbraw/zinc/00/90/09/386009009.db2.gz LRFZLWYSBIFHRF-XJKSGUPXSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@H](CC1CC1)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000128699073 386007977 /nfs/dbraw/zinc/00/79/77/386007977.db2.gz LRFZLWYSBIFHRF-CZUORRHYSA-N 1 0 246.398 3.068 10 0 BGAERO CCCC[C@@H](CC)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000128749916 411194707 /nfs/dbraw/zinc/19/47/07/411194707.db2.gz VNEJLYVOEUNJOG-MGPQQGTHSA-N 1 0 227.392 3.360 10 0 BGAERO CCCC[C@H](CC)CC[NH2+][C@@H]1CCO[C@@H]1C ZINC000128750142 324880560 /nfs/dbraw/zinc/88/05/60/324880560.db2.gz VNEJLYVOEUNJOG-HZSPNIEDSA-N 1 0 227.392 3.360 10 0 BGAERO CCCC[C@H](CC)CC[NH2+][C@H]1CCO[C@@H]1C ZINC000128750571 490589927 /nfs/dbraw/zinc/58/99/27/490589927.db2.gz VNEJLYVOEUNJOG-RDBSUJKOSA-N 1 0 227.392 3.360 10 0 BGAERO [NH3+][C@@H]1CCc2c1cc(Br)cc2Cl ZINC000128801927 350226615 /nfs/dbraw/zinc/22/66/15/350226615.db2.gz QNCZPAIGYTYUTD-SECBINFHSA-N 1 0 246.535 3.049 10 0 BGAERO [NH3+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000128802157 350226592 /nfs/dbraw/zinc/22/65/92/350226592.db2.gz QNCZPAIGYTYUTD-VIFPVBQESA-N 1 0 246.535 3.049 10 0 BGAERO CCCC1CCC(C[NH2+][C@@H](C)COC)CC1 ZINC000128845977 490592277 /nfs/dbraw/zinc/59/22/77/490592277.db2.gz ASJWZJANCQBHHX-HSBZDZAISA-N 1 0 227.392 3.217 10 0 BGAERO CCSCC[NH2+][C@H]1CCc2ccccc21 ZINC000128882142 398290008 /nfs/dbraw/zinc/29/00/08/398290008.db2.gz BBNUMXOKELYQPF-ZDUSSCGKSA-N 1 0 221.369 3.017 10 0 BGAERO CCSCC[NH2+][C@H](C)c1cccc(C)c1 ZINC000129047845 384974602 /nfs/dbraw/zinc/97/46/02/384974602.db2.gz STBBMSGFABTUKE-GFCCVEGCSA-N 1 0 223.385 3.399 10 0 BGAERO CCSCC[NH2+][C@H](C)c1ccccc1C ZINC000129050691 388813523 /nfs/dbraw/zinc/81/35/23/388813523.db2.gz BWIXOJGYHGBJBA-GFCCVEGCSA-N 1 0 223.385 3.399 10 0 BGAERO CCSCC[NH2+][C@@H](C)c1ccccc1C ZINC000129051087 388813751 /nfs/dbraw/zinc/81/37/51/388813751.db2.gz BWIXOJGYHGBJBA-LBPRGKRZSA-N 1 0 223.385 3.399 10 0 BGAERO CC(C)([NH3+])CSC1CCCCCC1 ZINC000129176886 351002725 /nfs/dbraw/zinc/00/27/25/351002725.db2.gz RMYVXVDLAZQYPU-UHFFFAOYSA-N 1 0 201.379 3.180 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000129239399 171057732 /nfs/dbraw/zinc/05/77/32/171057732.db2.gz RYPRFRJPUUKJFD-GRYCIOLGSA-N 1 0 213.390 3.050 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCSC2)C1 ZINC000129239837 171040932 /nfs/dbraw/zinc/04/09/32/171040932.db2.gz RYPRFRJPUUKJFD-IJLUTSLNSA-N 1 0 213.390 3.050 10 0 BGAERO Clc1c[nH]c(C[NH2+]C2CCCCC2)c1 ZINC000129246504 351015808 /nfs/dbraw/zinc/01/58/08/351015808.db2.gz YNPLDXUBWJDYOF-UHFFFAOYSA-N 1 0 212.724 3.090 10 0 BGAERO CC[NH2+]C1CCC(OCc2ccccc2)CC1 ZINC000129265701 345253022 /nfs/dbraw/zinc/25/30/22/345253022.db2.gz SQFBVOWOKOUCAK-UHFFFAOYSA-N 1 0 233.355 3.124 10 0 BGAERO Clc1ccc(/C=C/[C@@H]2CCC[NH2+]2)s1 ZINC000129284065 351025516 /nfs/dbraw/zinc/02/55/16/351025516.db2.gz PVGLBGBFUKIWMP-RTMURIBGSA-N 1 0 213.733 3.167 10 0 BGAERO Clc1ccc(/C=C/[C@H]2CCC[NH2+]2)s1 ZINC000129284278 353309706 /nfs/dbraw/zinc/30/97/06/353309706.db2.gz PVGLBGBFUKIWMP-MPJRPATESA-N 1 0 213.733 3.167 10 0 BGAERO CCCC(CCC)[NH2+]Cc1ccc(O)cc1 ZINC000129340581 388832990 /nfs/dbraw/zinc/83/29/90/388832990.db2.gz FCMKCDQGCRQBOL-UHFFFAOYSA-N 1 0 221.344 3.451 10 0 BGAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000129423289 388841790 /nfs/dbraw/zinc/84/17/90/388841790.db2.gz ZAABJJDNXWUEQP-JOYOIKCWSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@@H]1C ZINC000129423472 388841641 /nfs/dbraw/zinc/84/16/41/388841641.db2.gz ZAABJJDNXWUEQP-CABZTGNLSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(Cl)ccc1C[NH2+][C@@H]1C[C@H]1C ZINC000129423679 324948039 /nfs/dbraw/zinc/94/80/39/324948039.db2.gz ZAABJJDNXWUEQP-BXKDBHETSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H]1C ZINC000129423887 323174655 /nfs/dbraw/zinc/17/46/55/323174655.db2.gz ZAABJJDNXWUEQP-SKDRFNHKSA-N 1 0 209.720 3.146 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129446656 387771228 /nfs/dbraw/zinc/77/12/28/387771228.db2.gz SXZBDWMVXBXUGW-HQJQHLMTSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129446891 177349732 /nfs/dbraw/zinc/34/97/32/177349732.db2.gz SXZBDWMVXBXUGW-CPCISQLKSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129447119 387770873 /nfs/dbraw/zinc/77/08/73/387770873.db2.gz SXZBDWMVXBXUGW-RDDDGLTNSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000129447314 177385228 /nfs/dbraw/zinc/38/52/28/177385228.db2.gz SXZBDWMVXBXUGW-WRWORJQWSA-N 1 0 247.235 3.343 10 0 BGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129452473 324949314 /nfs/dbraw/zinc/94/93/14/324949314.db2.gz RWXZLDXTCIOEOB-KGLIPLIRSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC(C)(C)C1 ZINC000129452679 324948830 /nfs/dbraw/zinc/94/88/30/324948830.db2.gz RWXZLDXTCIOEOB-ZIAGYGMSSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000129452879 323008710 /nfs/dbraw/zinc/00/87/10/323008710.db2.gz RWXZLDXTCIOEOB-KBPBESRZSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC(C)(C)C1 ZINC000129453126 388845261 /nfs/dbraw/zinc/84/52/61/388845261.db2.gz RWXZLDXTCIOEOB-UONOGXRCSA-N 1 0 240.435 3.131 10 0 BGAERO C[C@H]1OCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000129457967 387771415 /nfs/dbraw/zinc/77/14/15/387771415.db2.gz XRWAEHBCGXCGAI-TZMCWYRMSA-N 1 0 237.387 3.256 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000129458182 387770628 /nfs/dbraw/zinc/77/06/28/387770628.db2.gz XRWAEHBCGXCGAI-GXTWGEPZSA-N 1 0 237.387 3.256 10 0 BGAERO C[C@H]1OCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000129458389 387771061 /nfs/dbraw/zinc/77/10/61/387771061.db2.gz XRWAEHBCGXCGAI-OCCSQVGLSA-N 1 0 237.387 3.256 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+]C1CCC2(CCCC2)CC1 ZINC000129458593 387771034 /nfs/dbraw/zinc/77/10/34/387771034.db2.gz XRWAEHBCGXCGAI-JSGCOSHPSA-N 1 0 237.387 3.256 10 0 BGAERO CC1(C)CC[C@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000129536676 187232844 /nfs/dbraw/zinc/23/28/44/187232844.db2.gz RNOGQTANIKDOLO-WCQYABFASA-N 1 0 231.339 3.288 10 0 BGAERO CC1(C)CC[C@@H]([NH2+][C@@H]2COc3ccccc32)C1 ZINC000129536867 358588196 /nfs/dbraw/zinc/58/81/96/358588196.db2.gz RNOGQTANIKDOLO-DGCLKSJQSA-N 1 0 231.339 3.288 10 0 BGAERO CC1(C)CC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000129537126 387773249 /nfs/dbraw/zinc/77/32/49/387773249.db2.gz RNOGQTANIKDOLO-AAEUAGOBSA-N 1 0 231.339 3.288 10 0 BGAERO CC1(C)CC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000129537322 358588106 /nfs/dbraw/zinc/58/81/06/358588106.db2.gz RNOGQTANIKDOLO-YPMHNXCESA-N 1 0 231.339 3.288 10 0 BGAERO CC(C)CC[NH2+][C@H]1CSc2ccccc21 ZINC000129544231 324958337 /nfs/dbraw/zinc/95/83/37/324958337.db2.gz ZWJSHLOXVCVAPS-LBPRGKRZSA-N 1 0 221.369 3.469 10 0 BGAERO [NH3+][C@@H](c1cncs1)C1CCCCCC1 ZINC000129559231 353387531 /nfs/dbraw/zinc/38/75/31/353387531.db2.gz OVUHXLYFNZTYIB-LLVKDONJSA-N 1 0 210.346 3.113 10 0 BGAERO [NH3+][C@H](c1cncs1)C1CCCCCC1 ZINC000129559433 353387419 /nfs/dbraw/zinc/38/74/19/353387419.db2.gz OVUHXLYFNZTYIB-NSHDSACASA-N 1 0 210.346 3.113 10 0 BGAERO [NH3+][C@@H](c1cscn1)C1CCCCCC1 ZINC000129560513 353387601 /nfs/dbraw/zinc/38/76/01/353387601.db2.gz NPFKLGMCWANPHA-LLVKDONJSA-N 1 0 210.346 3.113 10 0 BGAERO [NH3+][C@H](c1cscn1)C1CCCCCC1 ZINC000129560766 353388631 /nfs/dbraw/zinc/38/86/31/353388631.db2.gz NPFKLGMCWANPHA-NSHDSACASA-N 1 0 210.346 3.113 10 0 BGAERO [NH3+][C@H]([C@@H]1CCCS1)C1CCCCCC1 ZINC000129563131 353414742 /nfs/dbraw/zinc/41/47/42/353414742.db2.gz OKZHHFWJXNWTMG-RYUDHWBXSA-N 1 0 213.390 3.180 10 0 BGAERO [NH3+][C@@H]([C@@H]1CCCS1)C1CCCCCC1 ZINC000129563354 345258821 /nfs/dbraw/zinc/25/88/21/345258821.db2.gz OKZHHFWJXNWTMG-NWDGAFQWSA-N 1 0 213.390 3.180 10 0 BGAERO [NH3+][C@H]([C@H]1CCCS1)C1CCCCCC1 ZINC000129563573 353414670 /nfs/dbraw/zinc/41/46/70/353414670.db2.gz OKZHHFWJXNWTMG-NEPJUHHUSA-N 1 0 213.390 3.180 10 0 BGAERO [NH3+][C@@H]([C@H]1CCCS1)C1CCCCCC1 ZINC000129563795 353414254 /nfs/dbraw/zinc/41/42/54/353414254.db2.gz OKZHHFWJXNWTMG-VXGBXAGGSA-N 1 0 213.390 3.180 10 0 BGAERO CC(C)([NH3+])CNc1ccnc2cc(Cl)ccc21 ZINC000129668895 188222396 /nfs/dbraw/zinc/22/23/96/188222396.db2.gz XNFQCFFNXXLDJL-UHFFFAOYSA-N 1 0 249.745 3.037 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]Cc2cnoc2C)cc1 ZINC000129686282 388864740 /nfs/dbraw/zinc/86/47/40/388864740.db2.gz CZJUEKWMKDCFIS-LLVKDONJSA-N 1 0 244.338 3.396 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]Cc2cnoc2C)cc1 ZINC000129686496 324974333 /nfs/dbraw/zinc/97/43/33/324974333.db2.gz CZJUEKWMKDCFIS-NSHDSACASA-N 1 0 244.338 3.396 10 0 BGAERO Cc1oncc1C[NH2+][C@@H](C)c1ccccc1C ZINC000129688031 388864878 /nfs/dbraw/zinc/86/48/78/388864878.db2.gz JDOPRDJJZGMYGX-NSHDSACASA-N 1 0 230.311 3.142 10 0 BGAERO Cc1cnccc1C[NH2+][C@@H](C)c1cccs1 ZINC000129705380 385178241 /nfs/dbraw/zinc/17/82/41/385178241.db2.gz XVHXJTUDSXETPU-NSHDSACASA-N 1 0 232.352 3.302 10 0 BGAERO Cc1cnccc1C[NH2+][C@H](C)c1cccs1 ZINC000129705577 385177016 /nfs/dbraw/zinc/17/70/16/385177016.db2.gz XVHXJTUDSXETPU-LLVKDONJSA-N 1 0 232.352 3.302 10 0 BGAERO [NH3+][C@@H](c1cc2c(s1)CCCC2)C1CC1 ZINC000129717392 355982881 /nfs/dbraw/zinc/98/28/81/355982881.db2.gz LNFUGFDFGHSZQM-GFCCVEGCSA-N 1 0 207.342 3.037 10 0 BGAERO Cc1ccc(C[NH3+])c(-c2cccs2)c1 ZINC000129717543 355982756 /nfs/dbraw/zinc/98/27/56/355982756.db2.gz ZHBZJOQERDUJJT-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO [NH3+][C@H](c1cc2c(s1)CCCC2)C1CC1 ZINC000129717611 355983793 /nfs/dbraw/zinc/98/37/93/355983793.db2.gz LNFUGFDFGHSZQM-LBPRGKRZSA-N 1 0 207.342 3.037 10 0 BGAERO Cc1ccc(C[NH3+])c(-c2ccsc2)c1 ZINC000129728069 385180665 /nfs/dbraw/zinc/18/06/65/385180665.db2.gz LUAYARJEWZAQCK-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000129754621 324982505 /nfs/dbraw/zinc/98/25/05/324982505.db2.gz XHOBQBYBDUJZLL-LSDHHAIUSA-N 1 0 239.403 3.217 10 0 BGAERO CC(C)[C@H]1CCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000129754829 324982659 /nfs/dbraw/zinc/98/26/59/324982659.db2.gz XHOBQBYBDUJZLL-HUUCEWRRSA-N 1 0 239.403 3.217 10 0 BGAERO C[NH2+][C@@H](c1ccc(Cl)c(C)c1)C1CC1 ZINC000129817851 356975317 /nfs/dbraw/zinc/97/53/17/356975317.db2.gz CMGWFRDXNZJUHC-GFCCVEGCSA-N 1 0 209.720 3.319 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)c(C)c1)C1CC1 ZINC000129818062 356975943 /nfs/dbraw/zinc/97/59/43/356975943.db2.gz CMGWFRDXNZJUHC-LBPRGKRZSA-N 1 0 209.720 3.319 10 0 BGAERO C/C(=C/c1ccc(C)cc1Br)C[NH3+] ZINC000129827452 356980137 /nfs/dbraw/zinc/98/01/37/356980137.db2.gz OLHXCKJQPXTRHH-UITAMQMPSA-N 1 0 240.144 3.120 10 0 BGAERO C1C[NH2+][C@@H](c2nc(C3CCCCCCC3)no2)C1 ZINC000129835196 591413011 /nfs/dbraw/zinc/41/30/11/591413011.db2.gz BXWTWEXIXROVFO-GFCCVEGCSA-N 1 0 249.358 3.322 10 0 BGAERO C1C[NH2+][C@H](c2nc(C3CCCCCCC3)no2)C1 ZINC000129835438 591412405 /nfs/dbraw/zinc/41/24/05/591412405.db2.gz BXWTWEXIXROVFO-LBPRGKRZSA-N 1 0 249.358 3.322 10 0 BGAERO [NH3+][C@@H](c1cc2sccc2s1)C1CC1 ZINC000129848049 356987777 /nfs/dbraw/zinc/98/77/77/356987777.db2.gz SUWGKXRUNJYOQD-SNVBAGLBSA-N 1 0 209.339 3.373 10 0 BGAERO [NH3+][C@H](c1cc2sccc2s1)C1CC1 ZINC000129848250 356987430 /nfs/dbraw/zinc/98/74/30/356987430.db2.gz SUWGKXRUNJYOQD-JTQLQIEISA-N 1 0 209.339 3.373 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)C2CC2)c1C ZINC000129922343 490528880 /nfs/dbraw/zinc/52/88/80/490528880.db2.gz AHJYPBQHCUAHHB-GHMZBOCLSA-N 1 0 249.402 3.217 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H](C)C2CC2)c1C ZINC000129922558 490176813 /nfs/dbraw/zinc/17/68/13/490176813.db2.gz AHJYPBQHCUAHHB-MNOVXSKESA-N 1 0 249.402 3.217 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H](C)C2CC2)c1C ZINC000129922761 490177247 /nfs/dbraw/zinc/17/72/47/490177247.db2.gz AHJYPBQHCUAHHB-WDEREUQCSA-N 1 0 249.402 3.217 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H](C)C2CC2)c1C ZINC000129923005 490178070 /nfs/dbraw/zinc/17/80/70/490178070.db2.gz AHJYPBQHCUAHHB-QWRGUYRKSA-N 1 0 249.402 3.217 10 0 BGAERO Cc1oncc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000129939746 388875694 /nfs/dbraw/zinc/87/56/94/388875694.db2.gz BWWGEVDQGLMNAF-JTQLQIEISA-N 1 0 248.301 3.281 10 0 BGAERO CCCn1ccc(C[NH2+]CCC(C)(C)C)c1 ZINC000129968026 134615464 /nfs/dbraw/zinc/61/54/64/134615464.db2.gz SPUICODNOBYSEF-UHFFFAOYSA-N 1 0 222.376 3.424 10 0 BGAERO CCC([NH3+])(CC)CNc1ccc2ccccc2n1 ZINC000130085216 168417283 /nfs/dbraw/zinc/41/72/83/168417283.db2.gz TUUVUVBEMBJCRI-UHFFFAOYSA-N 1 0 243.354 3.164 10 0 BGAERO CCC([NH3+])(CC)CNc1nc2ccccc2s1 ZINC000130093150 386135466 /nfs/dbraw/zinc/13/54/66/386135466.db2.gz PPOCNAGQXOQMJN-UHFFFAOYSA-N 1 0 249.383 3.226 10 0 BGAERO CCCn1ccc(C[NH2+]CC(CC)CC)c1 ZINC000130238223 136271594 /nfs/dbraw/zinc/27/15/94/136271594.db2.gz WMPGSFIWOCQOLU-UHFFFAOYSA-N 1 0 222.376 3.424 10 0 BGAERO CC[C@@H]1CCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000130271390 491127637 /nfs/dbraw/zinc/12/76/37/491127637.db2.gz NUIDIICGRTYPQE-KGLIPLIRSA-N 1 0 232.371 3.388 10 0 BGAERO CC[C@H]1CCC[C@H](C[NH2+]Cc2ccccn2)C1 ZINC000130271589 490363998 /nfs/dbraw/zinc/36/39/98/490363998.db2.gz NUIDIICGRTYPQE-KBPBESRZSA-N 1 0 232.371 3.388 10 0 BGAERO CC[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000130271780 490364478 /nfs/dbraw/zinc/36/44/78/490364478.db2.gz NUIDIICGRTYPQE-ZIAGYGMSSA-N 1 0 232.371 3.388 10 0 BGAERO CC[C@H]1CCC[C@@H](C[NH2+]Cc2ccccn2)C1 ZINC000130271996 491127685 /nfs/dbraw/zinc/12/76/85/491127685.db2.gz NUIDIICGRTYPQE-UONOGXRCSA-N 1 0 232.371 3.388 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000130331705 385240746 /nfs/dbraw/zinc/24/07/46/385240746.db2.gz OKXIPJVPRAOBTC-SCRDCRAPSA-N 1 0 218.344 3.229 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cnccc1C ZINC000130332091 385242055 /nfs/dbraw/zinc/24/20/55/385242055.db2.gz OKXIPJVPRAOBTC-OUCADQQQSA-N 1 0 218.344 3.229 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000130332572 325041559 /nfs/dbraw/zinc/04/15/59/325041559.db2.gz UKFPPJKXTAZKCG-YUELXQCFSA-N 1 0 215.340 3.452 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000130333025 325042211 /nfs/dbraw/zinc/04/22/11/325042211.db2.gz UKFPPJKXTAZKCG-BPLDGKMQSA-N 1 0 215.340 3.452 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1cccs1 ZINC000130365701 490381137 /nfs/dbraw/zinc/38/11/37/490381137.db2.gz GBCYGUPKOKCHGY-DMDPSCGWSA-N 1 0 223.385 3.457 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)c1 ZINC000130418996 490385224 /nfs/dbraw/zinc/38/52/24/490385224.db2.gz JOBNGYZNWLQULS-IMJJTQAJSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)c1 ZINC000130419424 490385265 /nfs/dbraw/zinc/38/52/65/490385265.db2.gz JOBNGYZNWLQULS-BPUTZDHNSA-N 1 0 247.382 3.258 10 0 BGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000130420437 490385296 /nfs/dbraw/zinc/38/52/96/490385296.db2.gz PGAYCNWQWOPTBS-QPSCCSFWSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CCC[C@H](CCc2ccsc2)[NH2+]1 ZINC000130511796 363107760 /nfs/dbraw/zinc/10/77/60/363107760.db2.gz FYFYUVCYDOLPMB-ZYHUDNBSSA-N 1 0 209.358 3.211 10 0 BGAERO C[C@H]1CCC[C@H](CCc2ccsc2)[NH2+]1 ZINC000130511978 363107845 /nfs/dbraw/zinc/10/78/45/363107845.db2.gz FYFYUVCYDOLPMB-CMPLNLGQSA-N 1 0 209.358 3.211 10 0 BGAERO C[C@@H]1CCC[C@@H](CCc2ccsc2)[NH2+]1 ZINC000130512199 363108569 /nfs/dbraw/zinc/10/85/69/363108569.db2.gz FYFYUVCYDOLPMB-PWSUYJOCSA-N 1 0 209.358 3.211 10 0 BGAERO C[C@H]1CCC[C@@H](CCc2ccsc2)[NH2+]1 ZINC000130512398 363108263 /nfs/dbraw/zinc/10/82/63/363108263.db2.gz FYFYUVCYDOLPMB-JQWIXIFHSA-N 1 0 209.358 3.211 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](/C=C/c2ccsc2)C1 ZINC000130532254 353353902 /nfs/dbraw/zinc/35/39/02/353353902.db2.gz WIFHACRODKDRPK-RXUHEVMZSA-N 1 0 207.342 3.149 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](/C=C/c2ccsc2)C1 ZINC000130532635 363171240 /nfs/dbraw/zinc/17/12/40/363171240.db2.gz WIFHACRODKDRPK-AKDQNTJRSA-N 1 0 207.342 3.149 10 0 BGAERO CCCC[C@@H](C[NH3+])Nc1ccc2ccccc2n1 ZINC000130546266 358631693 /nfs/dbraw/zinc/63/16/93/358631693.db2.gz BZSIBAILARHFIN-ZDUSSCGKSA-N 1 0 243.354 3.164 10 0 BGAERO CCCC[C@H](C[NH3+])Nc1ccc2ccccc2n1 ZINC000130546483 358631415 /nfs/dbraw/zinc/63/14/15/358631415.db2.gz BZSIBAILARHFIN-CYBMUJFWSA-N 1 0 243.354 3.164 10 0 BGAERO Cc1ccncc1N[C@@H](C)Cc1ccc(O)cc1 ZINC000130550895 385261158 /nfs/dbraw/zinc/26/11/58/385261158.db2.gz ZONHKTJQRXLZMS-LBPRGKRZSA-N 1 0 242.322 3.139 10 0 BGAERO Cc1ccncc1N[C@H](C)Cc1ccc(O)cc1 ZINC000130551124 385260141 /nfs/dbraw/zinc/26/01/41/385260141.db2.gz ZONHKTJQRXLZMS-GFCCVEGCSA-N 1 0 242.322 3.139 10 0 BGAERO [NH3+]CC[C@@H](F)c1cccc2ccsc21 ZINC000130557643 353353904 /nfs/dbraw/zinc/35/39/04/353353904.db2.gz ACZGHRAEHJZYAR-SNVBAGLBSA-N 1 0 209.289 3.261 10 0 BGAERO [NH3+]CC[C@H](F)c1cccc2ccsc21 ZINC000130557866 363279186 /nfs/dbraw/zinc/27/91/86/363279186.db2.gz ACZGHRAEHJZYAR-JTQLQIEISA-N 1 0 209.289 3.261 10 0 BGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@@H](C)CC1CCC1 ZINC000130570552 490401428 /nfs/dbraw/zinc/40/14/28/490401428.db2.gz KDTMYXCPWBMTQF-ZFWWWQNUSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H](C)CC1CCC1 ZINC000130570744 490401770 /nfs/dbraw/zinc/40/17/70/490401770.db2.gz KDTMYXCPWBMTQF-DZGCQCFKSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@@H](CN(C)C)[NH2+][C@H](C)CC1CCC1 ZINC000130570948 490401563 /nfs/dbraw/zinc/40/15/63/490401563.db2.gz KDTMYXCPWBMTQF-HIFRSBDPSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)CC1CCC1 ZINC000130571160 490401952 /nfs/dbraw/zinc/40/19/52/490401952.db2.gz KDTMYXCPWBMTQF-UKRRQHHQSA-N 1 0 240.435 3.131 10 0 BGAERO CCCC[C@@H](C[NH3+])Nc1nc2ccccc2s1 ZINC000130573512 358632467 /nfs/dbraw/zinc/63/24/67/358632467.db2.gz LUOFFXXXEFTXOR-JTQLQIEISA-N 1 0 249.383 3.226 10 0 BGAERO CCCC[C@H](C[NH3+])Nc1nc2ccccc2s1 ZINC000130573712 358632461 /nfs/dbraw/zinc/63/24/61/358632461.db2.gz LUOFFXXXEFTXOR-SNVBAGLBSA-N 1 0 249.383 3.226 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000130577356 325067918 /nfs/dbraw/zinc/06/79/18/325067918.db2.gz SUPHSBQWQXBYQC-IMJJTQAJSA-N 1 0 247.382 3.258 10 0 BGAERO c1coc([C@@H]2CCC[N@H+]2Cc2ccncc2)c1 ZINC000130626306 358637197 /nfs/dbraw/zinc/63/71/97/358637197.db2.gz ZWENBPVOMYAADF-ZDUSSCGKSA-N 1 0 228.295 3.012 10 0 BGAERO c1coc([C@H]2CCC[N@H+]2Cc2ccncc2)c1 ZINC000130626515 358637553 /nfs/dbraw/zinc/63/75/53/358637553.db2.gz ZWENBPVOMYAADF-CYBMUJFWSA-N 1 0 228.295 3.012 10 0 BGAERO CCCC(CCC)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000130644431 325075092 /nfs/dbraw/zinc/07/50/92/325075092.db2.gz HSQAGYWCVKFZRC-ZIAGYGMSSA-N 1 0 227.392 3.238 10 0 BGAERO Cc1csc(CN2CCC[C@H]2c2ccco2)n1 ZINC000130863643 358651013 /nfs/dbraw/zinc/65/10/13/358651013.db2.gz JJCQQJCWXFHBME-NSHDSACASA-N 1 0 248.351 3.382 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])c2cc(Br)ccc21 ZINC000130971287 345289773 /nfs/dbraw/zinc/28/97/73/345289773.db2.gz ATKJUUHHHHAFNM-HQJQHLMTSA-N 1 0 240.144 3.346 10 0 BGAERO C[C@H]1CC[C@H]([NH3+])c2cc(Br)ccc21 ZINC000130971522 388679352 /nfs/dbraw/zinc/67/93/52/388679352.db2.gz ATKJUUHHHHAFNM-CPCISQLKSA-N 1 0 240.144 3.346 10 0 BGAERO C[C@@H]1CC[C@@H]([NH3+])c2cc(Br)ccc21 ZINC000130971704 388679504 /nfs/dbraw/zinc/67/95/04/388679504.db2.gz ATKJUUHHHHAFNM-RDDDGLTNSA-N 1 0 240.144 3.346 10 0 BGAERO C[C@H]1CC[C@@H]([NH3+])c2cc(Br)ccc21 ZINC000130971905 388679523 /nfs/dbraw/zinc/67/95/23/388679523.db2.gz ATKJUUHHHHAFNM-WRWORJQWSA-N 1 0 240.144 3.346 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1ccc(Cl)s1 ZINC000131068207 353137260 /nfs/dbraw/zinc/13/72/60/353137260.db2.gz QIGYIXZTSIMEFD-ZETCQYMHSA-N 1 0 201.722 3.368 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000131068401 371553550 /nfs/dbraw/zinc/55/35/50/371553550.db2.gz QIGYIXZTSIMEFD-SSDOTTSWSA-N 1 0 201.722 3.368 10 0 BGAERO CC1([NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000131135650 371562644 /nfs/dbraw/zinc/56/26/44/371562644.db2.gz XSORQXXNJYFIKP-UHFFFAOYSA-N 1 0 213.683 3.121 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1ccc(Br)o1 ZINC000131147192 371563837 /nfs/dbraw/zinc/56/38/37/371563837.db2.gz GGFMWXDBDQYPGV-ZETCQYMHSA-N 1 0 230.105 3.008 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1ccc(Br)o1 ZINC000131147388 371563701 /nfs/dbraw/zinc/56/37/01/371563701.db2.gz GGFMWXDBDQYPGV-SSDOTTSWSA-N 1 0 230.105 3.008 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1sccc1Cl ZINC000131166722 371279202 /nfs/dbraw/zinc/27/92/02/371279202.db2.gz DZBCJXKSMJNJNB-QMMMGPOBSA-N 1 0 201.722 3.368 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1sccc1Cl ZINC000131166932 353364762 /nfs/dbraw/zinc/36/47/62/353364762.db2.gz DZBCJXKSMJNJNB-MRVPVSSYSA-N 1 0 201.722 3.368 10 0 BGAERO CSc1ccc([C@@H]([NH3+])C=C(C)C)cc1 ZINC000131183210 371567420 /nfs/dbraw/zinc/56/74/20/371567420.db2.gz HVEXANUDXRVFMK-LBPRGKRZSA-N 1 0 207.342 3.375 10 0 BGAERO CSc1ccc([C@H]([NH3+])C=C(C)C)cc1 ZINC000131183406 371567432 /nfs/dbraw/zinc/56/74/32/371567432.db2.gz HVEXANUDXRVFMK-GFCCVEGCSA-N 1 0 207.342 3.375 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131186015 385074162 /nfs/dbraw/zinc/07/41/62/385074162.db2.gz JFNHODXJAGNYSV-BEAPCOKYSA-N 1 0 215.340 3.321 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H](c2ccccc2)C1 ZINC000131186432 385073478 /nfs/dbraw/zinc/07/34/78/385073478.db2.gz JFNHODXJAGNYSV-FAAHXZRKSA-N 1 0 215.340 3.321 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1sccc1Br ZINC000131209988 369016943 /nfs/dbraw/zinc/01/69/43/369016943.db2.gz MDUQOVJDPHZZCP-QMMMGPOBSA-N 1 0 246.173 3.477 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1sccc1Br ZINC000131210215 371570156 /nfs/dbraw/zinc/57/01/56/371570156.db2.gz MDUQOVJDPHZZCP-MRVPVSSYSA-N 1 0 246.173 3.477 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](C)C2)c1C ZINC000131273598 358666909 /nfs/dbraw/zinc/66/69/09/358666909.db2.gz JGAKZVDAJZWEJE-COPLHBTASA-N 1 0 249.402 3.359 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](C)C2)c1C ZINC000131274030 358667491 /nfs/dbraw/zinc/66/74/91/358667491.db2.gz JGAKZVDAJZWEJE-MJVIPROJSA-N 1 0 249.402 3.359 10 0 BGAERO CCOC1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000131299328 358667945 /nfs/dbraw/zinc/66/79/45/358667945.db2.gz QGGHNPNBLCGLSU-GRTSSRMGSA-N 1 0 233.355 3.213 10 0 BGAERO C[C@@H]1C[N@H+](Cc2coc3ccccc23)CCS1 ZINC000131333418 358671705 /nfs/dbraw/zinc/67/17/05/358671705.db2.gz LQFBBYTUCCAWLM-LLVKDONJSA-N 1 0 247.363 3.370 10 0 BGAERO C[C@H]1C[N@H+](Cc2coc3ccccc23)CCS1 ZINC000131333622 358671593 /nfs/dbraw/zinc/67/15/93/358671593.db2.gz LQFBBYTUCCAWLM-NSHDSACASA-N 1 0 247.363 3.370 10 0 BGAERO Cc1cc(C[N@@H+]2CCS[C@H](C)C2)ccc1F ZINC000131359761 358672509 /nfs/dbraw/zinc/67/25/09/358672509.db2.gz CGEZCMJIRSFNTA-LLVKDONJSA-N 1 0 239.359 3.071 10 0 BGAERO Cc1cc(C[N@@H+]2CCS[C@@H](C)C2)ccc1F ZINC000131359991 358672378 /nfs/dbraw/zinc/67/23/78/358672378.db2.gz CGEZCMJIRSFNTA-NSHDSACASA-N 1 0 239.359 3.071 10 0 BGAERO Cc1cc(F)ccc1C[N@@H+]1CCS[C@H](C)C1 ZINC000131376383 358672074 /nfs/dbraw/zinc/67/20/74/358672074.db2.gz IKTXOPDPLKLTNG-LLVKDONJSA-N 1 0 239.359 3.071 10 0 BGAERO Cc1cc(F)ccc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000131376568 358672086 /nfs/dbraw/zinc/67/20/86/358672086.db2.gz IKTXOPDPLKLTNG-NSHDSACASA-N 1 0 239.359 3.071 10 0 BGAERO C[C@H]1C[N@H+](Cc2cccc3[nH]ccc32)CCS1 ZINC000131424806 177265510 /nfs/dbraw/zinc/26/55/10/177265510.db2.gz UNDNNDQKZUYPCD-NSHDSACASA-N 1 0 246.379 3.105 10 0 BGAERO CC(C)[NH2+][C@@H](C)c1ccc(Br)o1 ZINC000131604420 371631018 /nfs/dbraw/zinc/63/10/18/371631018.db2.gz LCEPRJXHDBSOPA-ZETCQYMHSA-N 1 0 232.121 3.101 10 0 BGAERO C[C@H]([NH2+]C1CCC1)c1ccc(Br)o1 ZINC000131694789 371657034 /nfs/dbraw/zinc/65/70/34/371657034.db2.gz YDDCAGWNCKTLKP-ZETCQYMHSA-N 1 0 244.132 3.245 10 0 BGAERO C[C@@H]([NH2+]C1CCC1)c1ccc(Br)o1 ZINC000131694973 371656197 /nfs/dbraw/zinc/65/61/97/371656197.db2.gz YDDCAGWNCKTLKP-SSDOTTSWSA-N 1 0 244.132 3.245 10 0 BGAERO CSCCC1([NH3+])CCC(C)(C)CC1 ZINC000131779405 353375964 /nfs/dbraw/zinc/37/59/64/353375964.db2.gz RSDAMPIGIHAEIE-UHFFFAOYSA-N 1 0 201.379 3.037 10 0 BGAERO [NH3+][C@H](CC1CC1)c1cc2cccc(F)c2o1 ZINC000131782559 538596533 /nfs/dbraw/zinc/59/65/33/538596533.db2.gz GJTCSUCSOHQPLX-LLVKDONJSA-N 1 0 219.259 3.372 10 0 BGAERO [NH3+][C@@H](CC1CC1)c1cc2cccc(F)c2o1 ZINC000131782796 538596923 /nfs/dbraw/zinc/59/69/23/538596923.db2.gz GJTCSUCSOHQPLX-NSHDSACASA-N 1 0 219.259 3.372 10 0 BGAERO [NH3+][C@H](CC1CC1)c1cc2cc(F)ccc2o1 ZINC000131783016 538109256 /nfs/dbraw/zinc/10/92/56/538109256.db2.gz BDLFWWJEPPARKL-LLVKDONJSA-N 1 0 219.259 3.372 10 0 BGAERO [NH3+][C@@H](CC1CC1)c1cc2cc(F)ccc2o1 ZINC000131783199 538596430 /nfs/dbraw/zinc/59/64/30/538596430.db2.gz BDLFWWJEPPARKL-NSHDSACASA-N 1 0 219.259 3.372 10 0 BGAERO CCOC1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000131804561 134634431 /nfs/dbraw/zinc/63/44/31/134634431.db2.gz QGGHNPNBLCGLSU-LRVUVFPRSA-N 1 0 233.355 3.213 10 0 BGAERO CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000131887619 191017958 /nfs/dbraw/zinc/01/79/58/191017958.db2.gz LGFYZYVFKLZKBR-HZSPNIEDSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H](CCO)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000131888038 191017453 /nfs/dbraw/zinc/01/74/53/191017453.db2.gz LGFYZYVFKLZKBR-RDBSUJKOSA-N 1 0 241.419 3.342 10 0 BGAERO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@@H]1CCCO1 ZINC000131977826 491134401 /nfs/dbraw/zinc/13/44/01/491134401.db2.gz VOZRDCMRSRQYNA-MELADBBJSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@@H]1CCCO1 ZINC000131978243 491134416 /nfs/dbraw/zinc/13/44/16/491134416.db2.gz VOZRDCMRSRQYNA-IHRRRGAJSA-N 1 0 227.392 3.360 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000131984136 491134447 /nfs/dbraw/zinc/13/44/47/491134447.db2.gz GNOICWKQSZITGZ-GOEBONIOSA-N 1 0 245.366 3.141 10 0 BGAERO Cc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCCO1)CC2 ZINC000131984330 491134437 /nfs/dbraw/zinc/13/44/37/491134437.db2.gz GNOICWKQSZITGZ-HOCLYGCPSA-N 1 0 245.366 3.141 10 0 BGAERO Cc1cc(Cl)c(NCCC[NH3+])cc1Cl ZINC000132080546 371749180 /nfs/dbraw/zinc/74/91/80/371749180.db2.gz JTKSEYBVCSNWDZ-UHFFFAOYSA-N 1 0 233.142 3.063 10 0 BGAERO CSc1ccc(Br)cc1[C@H](C)[NH3+] ZINC000132092682 345316351 /nfs/dbraw/zinc/31/63/51/345316351.db2.gz RVPBWQFKRVKPSI-LURJTMIESA-N 1 0 246.173 3.191 10 0 BGAERO CSc1ccc(Br)cc1[C@@H](C)[NH3+] ZINC000132092861 371752414 /nfs/dbraw/zinc/75/24/14/371752414.db2.gz RVPBWQFKRVKPSI-ZCFIWIBFSA-N 1 0 246.173 3.191 10 0 BGAERO CSc1cc(Br)ccc1[C@H](C)[NH3+] ZINC000132094322 371752844 /nfs/dbraw/zinc/75/28/44/371752844.db2.gz KDIAYVKAPNFIOU-LURJTMIESA-N 1 0 246.173 3.191 10 0 BGAERO CSc1cc(Br)ccc1[C@@H](C)[NH3+] ZINC000132094522 346951353 /nfs/dbraw/zinc/95/13/53/346951353.db2.gz KDIAYVKAPNFIOU-ZCFIWIBFSA-N 1 0 246.173 3.191 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000132144685 191025396 /nfs/dbraw/zinc/02/53/96/191025396.db2.gz NQZBVJDCQCDBMG-FZQKWOKYSA-N 1 0 219.303 3.201 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2cc(F)ccc21 ZINC000132145100 191025793 /nfs/dbraw/zinc/02/57/93/191025793.db2.gz NQZBVJDCQCDBMG-OWYVNGRQSA-N 1 0 219.303 3.201 10 0 BGAERO C1CCC(S[C@@H]2CCCC[NH2+]C2)CC1 ZINC000132151188 371756811 /nfs/dbraw/zinc/75/68/11/371756811.db2.gz PBGFFBRLOHTHQQ-GFCCVEGCSA-N 1 0 213.390 3.194 10 0 BGAERO C1CCC(S[C@H]2CCCC[NH2+]C2)CC1 ZINC000132151373 345319914 /nfs/dbraw/zinc/31/99/14/345319914.db2.gz PBGFFBRLOHTHQQ-LBPRGKRZSA-N 1 0 213.390 3.194 10 0 BGAERO C(S[C@@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000132168115 371759845 /nfs/dbraw/zinc/75/98/45/371759845.db2.gz JLEVGVJXRBYVMW-GFCCVEGCSA-N 1 0 213.390 3.052 10 0 BGAERO C(S[C@H]1CCCC[NH2+]C1)C1CCCC1 ZINC000132168316 371759962 /nfs/dbraw/zinc/75/99/62/371759962.db2.gz JLEVGVJXRBYVMW-LBPRGKRZSA-N 1 0 213.390 3.052 10 0 BGAERO CC(=[NH2+])Nc1cccc(C)c1Br ZINC000132200666 345321940 /nfs/dbraw/zinc/32/19/40/345321940.db2.gz WXVNPSPMGTVENL-UHFFFAOYSA-N 1 0 227.105 3.167 10 0 BGAERO C[NH2+][C@@H]1CCCc2sc(Br)cc21 ZINC000132222716 371768099 /nfs/dbraw/zinc/76/80/99/371768099.db2.gz ANENYZGMMLBXBG-SSDOTTSWSA-N 1 0 246.173 3.107 10 0 BGAERO C[NH2+][C@H]1CCCc2sc(Br)cc21 ZINC000132222899 371767770 /nfs/dbraw/zinc/76/77/70/371767770.db2.gz ANENYZGMMLBXBG-ZETCQYMHSA-N 1 0 246.173 3.107 10 0 BGAERO CC[NH2+][C@@H]1CCCc2sc(Cl)cc21 ZINC000132225990 371770786 /nfs/dbraw/zinc/77/07/86/371770786.db2.gz JWNVKEAJHDBKKW-MRVPVSSYSA-N 1 0 215.749 3.388 10 0 BGAERO CC[NH2+][C@H]1CCCc2sc(Cl)cc21 ZINC000132226191 371769570 /nfs/dbraw/zinc/76/95/70/371769570.db2.gz JWNVKEAJHDBKKW-QMMMGPOBSA-N 1 0 215.749 3.388 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)c1ccc(Br)cc1F ZINC000132287456 371785375 /nfs/dbraw/zinc/78/53/75/371785375.db2.gz SENDLHGETZYXAI-RNFRBKRXSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)c1ccc(Br)cc1F ZINC000132287615 371786037 /nfs/dbraw/zinc/78/60/37/371786037.db2.gz SENDLHGETZYXAI-NKWVEPMBSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)c1ccc(Br)cc1F ZINC000132287793 345325395 /nfs/dbraw/zinc/32/53/95/345325395.db2.gz SENDLHGETZYXAI-RQJHMYQMSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@H](c1ccc(Br)cc1F)[C@H](C)[NH3+] ZINC000132287999 371785988 /nfs/dbraw/zinc/78/59/88/371785988.db2.gz SENDLHGETZYXAI-BQBZGAKWSA-N 1 0 246.123 3.039 10 0 BGAERO CC(C)c1cnc([C@@H]2CCCC[NH2+]2)s1 ZINC000132370835 371799302 /nfs/dbraw/zinc/79/93/02/371799302.db2.gz MFORGCTUSZEDMH-VIFPVBQESA-N 1 0 210.346 3.081 10 0 BGAERO CC(C)c1cnc([C@H]2CCCC[NH2+]2)s1 ZINC000132371041 371801463 /nfs/dbraw/zinc/80/14/63/371801463.db2.gz MFORGCTUSZEDMH-SECBINFHSA-N 1 0 210.346 3.081 10 0 BGAERO N#[N+]c1ccc(F)cc1Br ZINC000132378785 371801986 /nfs/dbraw/zinc/80/19/86/371801986.db2.gz JLINZGSTJITIDS-UHFFFAOYSA-N 1 0 202.006 3.073 10 0 BGAERO N#[N+]c1c(F)cc(F)cc1Br ZINC000132382046 371803926 /nfs/dbraw/zinc/80/39/26/371803926.db2.gz GBSUYKCHLMDALR-UHFFFAOYSA-N 1 0 219.996 3.212 10 0 BGAERO CC[C@@H](C)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000132549174 398306775 /nfs/dbraw/zinc/30/67/75/398306775.db2.gz HLQZGNPFDLFNBJ-VXGBXAGGSA-N 1 0 221.344 3.187 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](C)c1ccc(OC)cc1 ZINC000132549369 187626209 /nfs/dbraw/zinc/62/62/09/187626209.db2.gz HLQZGNPFDLFNBJ-NEPJUHHUSA-N 1 0 221.344 3.187 10 0 BGAERO CC[C@@H](C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000132549560 398306212 /nfs/dbraw/zinc/30/62/12/398306212.db2.gz HLQZGNPFDLFNBJ-NWDGAFQWSA-N 1 0 221.344 3.187 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](C)c1ccc(OC)cc1 ZINC000132549709 171341910 /nfs/dbraw/zinc/34/19/10/171341910.db2.gz HLQZGNPFDLFNBJ-RYUDHWBXSA-N 1 0 221.344 3.187 10 0 BGAERO C[C@@H](CCO)[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000132588712 591722140 /nfs/dbraw/zinc/72/21/40/591722140.db2.gz QULDFIODFJEGLG-SWLSCSKDSA-N 1 0 247.382 3.061 10 0 BGAERO C[C@H](CCO)[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000132588906 591721807 /nfs/dbraw/zinc/72/18/07/591721807.db2.gz QULDFIODFJEGLG-IUODEOHRSA-N 1 0 247.382 3.061 10 0 BGAERO C[C@@H](CCO)[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000132589132 591722546 /nfs/dbraw/zinc/72/25/46/591722546.db2.gz QULDFIODFJEGLG-WFASDCNBSA-N 1 0 247.382 3.061 10 0 BGAERO C[C@H](CCO)[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000132589333 591722620 /nfs/dbraw/zinc/72/26/20/591722620.db2.gz QULDFIODFJEGLG-DOMZBBRYSA-N 1 0 247.382 3.061 10 0 BGAERO CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000132664795 358732144 /nfs/dbraw/zinc/73/21/44/358732144.db2.gz HLSCTSBADFGSIC-SDDRHHMPSA-N 1 0 239.334 3.208 10 0 BGAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000132665243 358731378 /nfs/dbraw/zinc/73/13/78/358731378.db2.gz HLSCTSBADFGSIC-GRYCIOLGSA-N 1 0 239.334 3.208 10 0 BGAERO CC(C)(C)c1ccccc1C[NH2+]C1CC1 ZINC000132673172 384199252 /nfs/dbraw/zinc/19/92/52/384199252.db2.gz FTXUTEDYQGFYJV-UHFFFAOYSA-N 1 0 203.329 3.236 10 0 BGAERO CCC[C@@H](CC)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000132731313 191035038 /nfs/dbraw/zinc/03/50/38/191035038.db2.gz XLOQMGOIMVZSBY-KGLIPLIRSA-N 1 0 228.424 3.131 10 0 BGAERO CCC[C@H](CC)[NH2+][C@@H](CC(C)C)CN(C)C ZINC000132731507 191035251 /nfs/dbraw/zinc/03/52/51/191035251.db2.gz XLOQMGOIMVZSBY-KBPBESRZSA-N 1 0 228.424 3.131 10 0 BGAERO CCC[C@@H](CC)[NH2+][C@H](CC(C)C)CN(C)C ZINC000132731735 191035325 /nfs/dbraw/zinc/03/53/25/191035325.db2.gz XLOQMGOIMVZSBY-ZIAGYGMSSA-N 1 0 228.424 3.131 10 0 BGAERO CCC[C@H](CC)[NH2+][C@H](CC(C)C)CN(C)C ZINC000132731913 191035130 /nfs/dbraw/zinc/03/51/30/191035130.db2.gz XLOQMGOIMVZSBY-UONOGXRCSA-N 1 0 228.424 3.131 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000132732088 134665986 /nfs/dbraw/zinc/66/59/86/134665986.db2.gz GEGTUHINXOIWFY-FZQKWOKYSA-N 1 0 219.303 3.201 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC000132732470 358735281 /nfs/dbraw/zinc/73/52/81/358735281.db2.gz GEGTUHINXOIWFY-OWYVNGRQSA-N 1 0 219.303 3.201 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000132736402 176404490 /nfs/dbraw/zinc/40/44/90/176404490.db2.gz KDXNHHYDAWMTTH-RNCFNFMXSA-N 1 0 246.741 3.386 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000132736618 177350214 /nfs/dbraw/zinc/35/02/14/177350214.db2.gz KDXNHHYDAWMTTH-ZANVPECISA-N 1 0 246.741 3.386 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000132736827 176446027 /nfs/dbraw/zinc/44/60/27/176446027.db2.gz KDXNHHYDAWMTTH-NOZJJQNGSA-N 1 0 246.741 3.386 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000132737015 177385470 /nfs/dbraw/zinc/38/54/70/177385470.db2.gz KDXNHHYDAWMTTH-TVQRCGJNSA-N 1 0 246.741 3.386 10 0 BGAERO COC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000132750816 191035636 /nfs/dbraw/zinc/03/56/36/191035636.db2.gz KFJSRAGJYRTVCI-BFHYXJOUSA-N 1 0 241.419 3.462 10 0 BGAERO COC(C)(C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000132751032 191035504 /nfs/dbraw/zinc/03/55/04/191035504.db2.gz KFJSRAGJYRTVCI-HZSPNIEDSA-N 1 0 241.419 3.462 10 0 BGAERO COC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000132751238 191035137 /nfs/dbraw/zinc/03/51/37/191035137.db2.gz KFJSRAGJYRTVCI-MELADBBJSA-N 1 0 241.419 3.462 10 0 BGAERO CC[NH2+][C@H](COCc1ccccc1)[C@H](C)CC ZINC000132766267 371918507 /nfs/dbraw/zinc/91/85/07/371918507.db2.gz OGWMMHVHEKRHQD-UKRRQHHQSA-N 1 0 235.371 3.227 10 0 BGAERO CC[NH2+][C@H](COCc1ccccc1)[C@@H](C)CC ZINC000132766475 371917741 /nfs/dbraw/zinc/91/77/41/371917741.db2.gz OGWMMHVHEKRHQD-DZGCQCFKSA-N 1 0 235.371 3.227 10 0 BGAERO CC[NH2+][C@@H](COCc1ccccc1)[C@H](C)CC ZINC000132766661 371918571 /nfs/dbraw/zinc/91/85/71/371918571.db2.gz OGWMMHVHEKRHQD-HIFRSBDPSA-N 1 0 235.371 3.227 10 0 BGAERO CC[NH2+][C@@H](COCc1ccccc1)[C@@H](C)CC ZINC000132766879 371918409 /nfs/dbraw/zinc/91/84/09/371918409.db2.gz OGWMMHVHEKRHQD-ZFWWWQNUSA-N 1 0 235.371 3.227 10 0 BGAERO Cc1c(C[NH3+])csc1-c1ccccc1 ZINC000132785503 371923766 /nfs/dbraw/zinc/92/37/66/371923766.db2.gz CHFUISWPDXSCON-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO CC(C)(C)c1csc(Cl)c1C[NH3+] ZINC000132792197 371923540 /nfs/dbraw/zinc/92/35/40/371923540.db2.gz CIWCCRZULKNTRV-UHFFFAOYSA-N 1 0 203.738 3.158 10 0 BGAERO [NH3+]Cc1c(Cl)sc2c1CCCCC2 ZINC000132792424 371923321 /nfs/dbraw/zinc/92/33/21/371923321.db2.gz WAJOSPXRDZPIBR-UHFFFAOYSA-N 1 0 215.749 3.129 10 0 BGAERO CC(C)(C)c1cc(C[NH3+])c(Cl)s1 ZINC000132793043 371923663 /nfs/dbraw/zinc/92/36/63/371923663.db2.gz MBHNWBJBCBJJOR-UHFFFAOYSA-N 1 0 203.738 3.158 10 0 BGAERO Cc1sc(Cl)c(C[NH3+])c1C1CC1 ZINC000132796184 371923558 /nfs/dbraw/zinc/92/35/58/371923558.db2.gz GVRSAIFSCZXHLN-UHFFFAOYSA-N 1 0 201.722 3.046 10 0 BGAERO CC1(C)CCc2sc(Cl)c(C[NH3+])c21 ZINC000132798544 371923814 /nfs/dbraw/zinc/92/38/14/371923814.db2.gz YXACKPGIPRSTLO-UHFFFAOYSA-N 1 0 215.749 3.084 10 0 BGAERO COc1ccccc1C[C@@H]([NH2+]C1CC1)C(C)C ZINC000132802389 134666962 /nfs/dbraw/zinc/66/69/62/134666962.db2.gz OILWPUPZAWTCSB-CQSZACIVSA-N 1 0 233.355 3.014 10 0 BGAERO C[C@@H]1CCCc2sc(Cl)c(C[NH3+])c21 ZINC000132802480 371925203 /nfs/dbraw/zinc/92/52/03/371925203.db2.gz CSGXIBGVSMWDLM-ZCFIWIBFSA-N 1 0 215.749 3.300 10 0 BGAERO COc1ccccc1C[C@H]([NH2+]C1CC1)C(C)C ZINC000132802596 358737211 /nfs/dbraw/zinc/73/72/11/358737211.db2.gz OILWPUPZAWTCSB-AWEZNQCLSA-N 1 0 233.355 3.014 10 0 BGAERO C[C@H]1CCCc2sc(Cl)c(C[NH3+])c21 ZINC000132802699 371925387 /nfs/dbraw/zinc/92/53/87/371925387.db2.gz CSGXIBGVSMWDLM-LURJTMIESA-N 1 0 215.749 3.300 10 0 BGAERO CC[C@@H]1CCc2sc(Cl)c(C[NH3+])c21 ZINC000132804376 371924768 /nfs/dbraw/zinc/92/47/68/371924768.db2.gz DKLFNRLITQJWJZ-ZCFIWIBFSA-N 1 0 215.749 3.300 10 0 BGAERO CC[C@H]1CCc2sc(Cl)c(C[NH3+])c21 ZINC000132804580 371925029 /nfs/dbraw/zinc/92/50/29/371925029.db2.gz DKLFNRLITQJWJZ-LURJTMIESA-N 1 0 215.749 3.300 10 0 BGAERO CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000132805300 191035519 /nfs/dbraw/zinc/03/55/19/191035519.db2.gz PESVGZOTTBBQPH-MELADBBJSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H](O)CC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000132805732 191035244 /nfs/dbraw/zinc/03/52/44/191035244.db2.gz PESVGZOTTBBQPH-IHRRRGAJSA-N 1 0 241.419 3.342 10 0 BGAERO Cc1sc(Cl)c(C[NH3+])c1C(C)C ZINC000132806259 371924725 /nfs/dbraw/zinc/92/47/25/371924725.db2.gz QLKADAUIGMMWEN-UHFFFAOYSA-N 1 0 203.738 3.292 10 0 BGAERO CC1(C)CCCc2sc(Cl)c(C[NH3+])c21 ZINC000132814548 371927932 /nfs/dbraw/zinc/92/79/32/371927932.db2.gz RDRCPJGSMLDUNH-UHFFFAOYSA-N 1 0 229.776 3.474 10 0 BGAERO CC(C)(C)c1csc(Br)c1C[NH3+] ZINC000132815177 371926869 /nfs/dbraw/zinc/92/68/69/371926869.db2.gz QVQNRMWNTRCQNC-UHFFFAOYSA-N 1 0 248.189 3.267 10 0 BGAERO CC(C)(C)c1cc(C[NH3+])c(Br)s1 ZINC000132816090 371927397 /nfs/dbraw/zinc/92/73/97/371927397.db2.gz SXGFVOFUALIUAW-UHFFFAOYSA-N 1 0 248.189 3.267 10 0 BGAERO Cc1sc(Br)c(C[NH3+])c1C1CC1 ZINC000132819369 371929239 /nfs/dbraw/zinc/92/92/39/371929239.db2.gz WJIYYUZCLPJEDN-UHFFFAOYSA-N 1 0 246.173 3.155 10 0 BGAERO CC(C)c1cc(C[NH3+])c(Br)s1 ZINC000132820271 345347143 /nfs/dbraw/zinc/34/71/43/345347143.db2.gz AMRKBSQGIDIKFT-UHFFFAOYSA-N 1 0 234.162 3.093 10 0 BGAERO CC(C)c1csc(Br)c1C[NH3+] ZINC000132822995 371930073 /nfs/dbraw/zinc/93/00/73/371930073.db2.gz MGDNTMQVQBKMLK-UHFFFAOYSA-N 1 0 234.162 3.093 10 0 BGAERO C[C@@H]1CCc2sc(Br)c(C[NH3+])c21 ZINC000132826670 371929574 /nfs/dbraw/zinc/92/95/74/371929574.db2.gz GZHHESHNBMPASN-RXMQYKEDSA-N 1 0 246.173 3.019 10 0 BGAERO C[C@H]1CCc2sc(Br)c(C[NH3+])c21 ZINC000132826857 371928680 /nfs/dbraw/zinc/92/86/80/371928680.db2.gz GZHHESHNBMPASN-YFKPBYRVSA-N 1 0 246.173 3.019 10 0 BGAERO CC(C)Cc1csc(Br)c1C[NH3+] ZINC000132828908 345346978 /nfs/dbraw/zinc/34/69/78/345346978.db2.gz JIKFSHSENBDYMB-UHFFFAOYSA-N 1 0 248.189 3.168 10 0 BGAERO Cc1sc(Br)c(C[NH3+])c1C(C)C ZINC000132829365 371930798 /nfs/dbraw/zinc/93/07/98/371930798.db2.gz VONWHSDCUBXNEF-UHFFFAOYSA-N 1 0 248.189 3.401 10 0 BGAERO CC1(c2csc(Br)c2C[NH3+])CC1 ZINC000132830189 371931061 /nfs/dbraw/zinc/93/10/61/371931061.db2.gz GUNUKYSFAXVVGX-UHFFFAOYSA-N 1 0 246.173 3.021 10 0 BGAERO C[NH2+]Cc1cscc1-c1ccccc1 ZINC000132853513 371937573 /nfs/dbraw/zinc/93/75/73/371937573.db2.gz ANQHLPAKWDREDC-UHFFFAOYSA-N 1 0 203.310 3.135 10 0 BGAERO C[NH2+]Cc1csc2c1C(C)(C)CCC2 ZINC000132859714 371939894 /nfs/dbraw/zinc/93/98/94/371939894.db2.gz XNEGMZWGNOAYJS-UHFFFAOYSA-N 1 0 209.358 3.081 10 0 BGAERO CC(C)[NH2+]Cc1csc2c1[C@H](C)CC2 ZINC000132903373 371947380 /nfs/dbraw/zinc/94/73/80/371947380.db2.gz IGYIKANXMIPPCB-SECBINFHSA-N 1 0 209.358 3.296 10 0 BGAERO CC(C)[NH2+]Cc1csc2c1[C@@H](C)CC2 ZINC000132903560 371947477 /nfs/dbraw/zinc/94/74/77/371947477.db2.gz IGYIKANXMIPPCB-VIFPVBQESA-N 1 0 209.358 3.296 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000133012477 325259841 /nfs/dbraw/zinc/25/98/41/325259841.db2.gz QQSNILWQXCVFPL-GJZGRUSLSA-N 1 0 238.419 3.195 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CCC=C(C)C)C1 ZINC000133012685 325259969 /nfs/dbraw/zinc/25/99/69/325259969.db2.gz QQSNILWQXCVFPL-LSDHHAIUSA-N 1 0 238.419 3.195 10 0 BGAERO COC(C)(C)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000133023693 134673095 /nfs/dbraw/zinc/67/30/95/134673095.db2.gz BHLSRRTXZFXJPY-NEPJUHHUSA-N 1 0 227.392 3.216 10 0 BGAERO COC(C)(C)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000133023929 358743330 /nfs/dbraw/zinc/74/33/30/358743330.db2.gz BHLSRRTXZFXJPY-RYUDHWBXSA-N 1 0 227.392 3.216 10 0 BGAERO COC(C)(C)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000133024163 345356979 /nfs/dbraw/zinc/35/69/79/345356979.db2.gz BHLSRRTXZFXJPY-VXGBXAGGSA-N 1 0 227.392 3.216 10 0 BGAERO COC(C)(C)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000133024352 358743572 /nfs/dbraw/zinc/74/35/72/358743572.db2.gz BHLSRRTXZFXJPY-NWDGAFQWSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000133119803 344313516 /nfs/dbraw/zinc/31/35/16/344313516.db2.gz VDWKDBLDNJPKIX-WZRBSPASSA-N 1 0 227.392 3.357 10 0 BGAERO CSC[C@H](C)[NH2+]CC1CCC(C)CC1 ZINC000133136317 191037851 /nfs/dbraw/zinc/03/78/51/191037851.db2.gz FKUUDHVNQIQWLY-CXQJBGSLSA-N 1 0 215.406 3.154 10 0 BGAERO CSC[C@@H](C)[NH2+]CC1CCC(C)CC1 ZINC000133136511 191038412 /nfs/dbraw/zinc/03/84/12/191038412.db2.gz FKUUDHVNQIQWLY-MOENNCHZSA-N 1 0 215.406 3.154 10 0 BGAERO CCC[C@@H](CCO)C[NH2+]CC1CCC(C)CC1 ZINC000133157550 191038244 /nfs/dbraw/zinc/03/82/44/191038244.db2.gz HROAUFRSFJRPNT-SLTAFYQDSA-N 1 0 241.419 3.201 10 0 BGAERO CCC[C@H](CCO)C[NH2+]CC1CCC(C)CC1 ZINC000133157746 191037844 /nfs/dbraw/zinc/03/78/44/191037844.db2.gz HROAUFRSFJRPNT-SHARSMKWSA-N 1 0 241.419 3.201 10 0 BGAERO COCCC1(C[NH2+]CC2CCC(C)CC2)CC1 ZINC000133204494 191038787 /nfs/dbraw/zinc/03/87/87/191038787.db2.gz NCXCQJKSKOUUJH-UHFFFAOYSA-N 1 0 239.403 3.219 10 0 BGAERO COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000133225756 191039653 /nfs/dbraw/zinc/03/96/53/191039653.db2.gz GIZSIBPQALLHNE-IUODEOHRSA-N 1 0 247.382 3.187 10 0 BGAERO COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000133225947 191038952 /nfs/dbraw/zinc/03/89/52/191038952.db2.gz GIZSIBPQALLHNE-SWLSCSKDSA-N 1 0 247.382 3.187 10 0 BGAERO COc1ccc2c(c1)C[C@@H]([NH2+][C@H](C)C(C)C)CC2 ZINC000133226136 191038839 /nfs/dbraw/zinc/03/88/39/191038839.db2.gz GIZSIBPQALLHNE-DOMZBBRYSA-N 1 0 247.382 3.187 10 0 BGAERO COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)C(C)C)CC2 ZINC000133226348 191038876 /nfs/dbraw/zinc/03/88/76/191038876.db2.gz GIZSIBPQALLHNE-WFASDCNBSA-N 1 0 247.382 3.187 10 0 BGAERO CS[C@H](C)C[NH2+]CC1CCC(C)CC1 ZINC000133233646 191038204 /nfs/dbraw/zinc/03/82/04/191038204.db2.gz IYFWTURUXSNXJU-MOENNCHZSA-N 1 0 215.406 3.154 10 0 BGAERO CS[C@@H](C)C[NH2+]CC1CCC(C)CC1 ZINC000133233867 191038759 /nfs/dbraw/zinc/03/87/59/191038759.db2.gz IYFWTURUXSNXJU-CXQJBGSLSA-N 1 0 215.406 3.154 10 0 BGAERO CCCCC[C@H]([NH3+])c1cccc(OC)c1F ZINC000133234697 372011212 /nfs/dbraw/zinc/01/12/12/372011212.db2.gz ZESAQUSCWRWSTI-NSHDSACASA-N 1 0 225.307 3.414 10 0 BGAERO CCCCC[C@@H]([NH3+])c1cccc(OC)c1F ZINC000133234847 372010442 /nfs/dbraw/zinc/01/04/42/372010442.db2.gz ZESAQUSCWRWSTI-LLVKDONJSA-N 1 0 225.307 3.414 10 0 BGAERO Cc1cncc(C[NH2+]CC2CCC(C)CC2)c1 ZINC000133241911 191039181 /nfs/dbraw/zinc/03/91/81/191039181.db2.gz PWVAKXHVISMWKM-UHFFFAOYSA-N 1 0 232.371 3.306 10 0 BGAERO CCCNC(=[NH2+])c1ccc(Cl)c(Cl)c1 ZINC000133326833 372024097 /nfs/dbraw/zinc/02/40/97/372024097.db2.gz DSSFIDDMGQEJLB-UHFFFAOYSA-N 1 0 231.126 3.318 10 0 BGAERO [NH2+]=C(NC1CC1)c1ccc(Cl)c(Cl)c1 ZINC000133327257 372024424 /nfs/dbraw/zinc/02/44/24/372024424.db2.gz YEGGFDXZZFZMAU-UHFFFAOYSA-N 1 0 229.110 3.071 10 0 BGAERO C[C@@H]1CCN1Cc1cccc(Br)c1 ZINC000133334308 398324351 /nfs/dbraw/zinc/32/43/51/398324351.db2.gz AFRMGEKKIFLSKB-SECBINFHSA-N 1 0 240.144 3.043 10 0 BGAERO C[C@H]1CCN1Cc1cccc(Br)c1 ZINC000133334510 398324426 /nfs/dbraw/zinc/32/44/26/398324426.db2.gz AFRMGEKKIFLSKB-VIFPVBQESA-N 1 0 240.144 3.043 10 0 BGAERO C[C@@H]1CCN1Cc1ccccc1Br ZINC000133339174 398324469 /nfs/dbraw/zinc/32/44/69/398324469.db2.gz IQAJSYOBTCBEGL-SECBINFHSA-N 1 0 240.144 3.043 10 0 BGAERO C[C@H]1CCN1Cc1ccccc1Br ZINC000133339376 398324355 /nfs/dbraw/zinc/32/43/55/398324355.db2.gz IQAJSYOBTCBEGL-VIFPVBQESA-N 1 0 240.144 3.043 10 0 BGAERO CCC[C@@H](C)C[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000133350268 325289640 /nfs/dbraw/zinc/28/96/40/325289640.db2.gz NLQYUCXPVGLYBO-MGPQQGTHSA-N 1 0 227.392 3.073 10 0 BGAERO CCC[C@H](C)C[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000133350471 325289543 /nfs/dbraw/zinc/28/95/43/325289543.db2.gz NLQYUCXPVGLYBO-BFHYXJOUSA-N 1 0 227.392 3.073 10 0 BGAERO C[C@@H](Cc1ccc(O)cc1)[N@H+](C)CC(C)(C)C ZINC000133370531 191039829 /nfs/dbraw/zinc/03/98/29/191039829.db2.gz ZFJPFIONRCAHOL-LBPRGKRZSA-N 1 0 235.371 3.301 10 0 BGAERO C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(C)(C)C ZINC000133370743 191039981 /nfs/dbraw/zinc/03/99/81/191039981.db2.gz ZFJPFIONRCAHOL-GFCCVEGCSA-N 1 0 235.371 3.301 10 0 BGAERO C[C@H]([NH2+]Cc1c(F)cccc1F)C(C)(C)C ZINC000133399032 372039191 /nfs/dbraw/zinc/03/91/91/372039191.db2.gz LUYPNTNTVDUUSR-VIFPVBQESA-N 1 0 227.298 3.489 10 0 BGAERO CC(C)(C)c1ccc([C@@H]2C[C@@H]2C[NH3+])s1 ZINC000133509715 398193106 /nfs/dbraw/zinc/19/31/06/398193106.db2.gz PFVDETQSQVRQFT-RKDXNWHRSA-N 1 0 209.358 3.108 10 0 BGAERO Cc1ccc([C@@H]2CCCC[N@@H+]2CCCF)o1 ZINC000133526491 384298288 /nfs/dbraw/zinc/29/82/88/384298288.db2.gz VGSKGIVRQDDENW-LBPRGKRZSA-N 1 0 225.307 3.475 10 0 BGAERO Cc1ccc([C@H]2CCCC[N@@H+]2CCCF)o1 ZINC000133526692 384297970 /nfs/dbraw/zinc/29/79/70/384297970.db2.gz VGSKGIVRQDDENW-GFCCVEGCSA-N 1 0 225.307 3.475 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(F)c1F ZINC000133637931 384260745 /nfs/dbraw/zinc/26/07/45/384260745.db2.gz PYOSIWUNFKPEGU-FYBVGQRMSA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(F)c1F ZINC000133638128 384260943 /nfs/dbraw/zinc/26/09/43/384260943.db2.gz PYOSIWUNFKPEGU-LAEOZQHASA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(F)c1F ZINC000133638309 384262021 /nfs/dbraw/zinc/26/20/21/384262021.db2.gz PYOSIWUNFKPEGU-VHSKPIJISA-N 1 0 211.255 3.024 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(F)c1F ZINC000133638502 384261248 /nfs/dbraw/zinc/26/12/48/384261248.db2.gz PYOSIWUNFKPEGU-DKCNOQQISA-N 1 0 211.255 3.024 10 0 BGAERO Cc1ccc(C[NH2+]Cc2ccc(F)c(C)c2)nc1 ZINC000133697578 491160234 /nfs/dbraw/zinc/16/02/34/491160234.db2.gz XXFZIDBJABXESG-UHFFFAOYSA-N 1 0 244.313 3.127 10 0 BGAERO [NH3+][C@H](Cc1cncs1)c1ccc(Cl)s1 ZINC000133787391 372111297 /nfs/dbraw/zinc/11/12/97/372111297.db2.gz GPGYFGZKYCPXBU-SSDOTTSWSA-N 1 0 244.772 3.101 10 0 BGAERO [NH3+][C@@H](Cc1cncs1)c1ccc(Cl)s1 ZINC000133787613 372111447 /nfs/dbraw/zinc/11/14/47/372111447.db2.gz GPGYFGZKYCPXBU-ZETCQYMHSA-N 1 0 244.772 3.101 10 0 BGAERO CCSCC[C@@H](C)[NH2+]Cc1cccn1CC ZINC000133807428 134692997 /nfs/dbraw/zinc/69/29/97/134692997.db2.gz CBSZXIIMMNOABU-GFCCVEGCSA-N 1 0 240.416 3.129 10 0 BGAERO [NH3+][C@H](Cc1cncs1)c1sccc1Cl ZINC000133829657 372119189 /nfs/dbraw/zinc/11/91/89/372119189.db2.gz BJKPJETYUUFSPF-MRVPVSSYSA-N 1 0 244.772 3.101 10 0 BGAERO [NH3+][C@@H](Cc1cncs1)c1sccc1Cl ZINC000133829856 372119563 /nfs/dbraw/zinc/11/95/63/372119563.db2.gz BJKPJETYUUFSPF-QMMMGPOBSA-N 1 0 244.772 3.101 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2cccc3c2OCC3)cc1 ZINC000133915333 591869265 /nfs/dbraw/zinc/86/92/65/591869265.db2.gz PMKGVMWIXQHEFQ-NSHDSACASA-N 1 0 239.318 3.308 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-c2cccc3c2OCC3)cc1 ZINC000133915535 591869425 /nfs/dbraw/zinc/86/94/25/591869425.db2.gz PMKGVMWIXQHEFQ-LLVKDONJSA-N 1 0 239.318 3.308 10 0 BGAERO Oc1cccc2c1CC[C@@H]2[NH2+]CCC1CCC1 ZINC000133933838 410618057 /nfs/dbraw/zinc/61/80/57/410618057.db2.gz ZCRIWWRMDZXQPV-AWEZNQCLSA-N 1 0 231.339 3.159 10 0 BGAERO Oc1cccc2c1CC[C@H]2[NH2+]CCC1CCC1 ZINC000133934030 410617643 /nfs/dbraw/zinc/61/76/43/410617643.db2.gz ZCRIWWRMDZXQPV-CQSZACIVSA-N 1 0 231.339 3.159 10 0 BGAERO Cc1cc(C[NH3+])ccc1-c1cccc2c1OCC2 ZINC000133941683 591870017 /nfs/dbraw/zinc/87/00/17/591870017.db2.gz KNXCTGAOJMVJMW-UHFFFAOYSA-N 1 0 239.318 3.056 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1ccc(F)cn1)C(C)C ZINC000133968797 171538300 /nfs/dbraw/zinc/53/83/00/171538300.db2.gz SWDGEWQBBUMGRB-JQWIXIFHSA-N 1 0 224.323 3.306 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1ccc(F)cn1)C(C)C ZINC000133968981 345393431 /nfs/dbraw/zinc/39/34/31/345393431.db2.gz SWDGEWQBBUMGRB-CMPLNLGQSA-N 1 0 224.323 3.306 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ccc(F)cn1)C(C)C ZINC000133969159 384321973 /nfs/dbraw/zinc/32/19/73/384321973.db2.gz SWDGEWQBBUMGRB-PWSUYJOCSA-N 1 0 224.323 3.306 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1ccc(F)cn1)C(C)C ZINC000133969379 170912354 /nfs/dbraw/zinc/91/23/54/170912354.db2.gz SWDGEWQBBUMGRB-ZYHUDNBSSA-N 1 0 224.323 3.306 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CCCCC1 ZINC000134040094 325339333 /nfs/dbraw/zinc/33/93/33/325339333.db2.gz KCANVYDLYHYLQK-MRVWCRGKSA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)OCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000134109939 358780966 /nfs/dbraw/zinc/78/09/66/358780966.db2.gz QIGMJCDWVDJCPO-OLZOCXBDSA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)OCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000134110171 358781077 /nfs/dbraw/zinc/78/10/77/358781077.db2.gz QIGMJCDWVDJCPO-STQMWFEESA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)OCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000134110389 358780486 /nfs/dbraw/zinc/78/04/86/358780486.db2.gz QIGMJCDWVDJCPO-CHWSQXEVSA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)OCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000134110605 134703682 /nfs/dbraw/zinc/70/36/82/134703682.db2.gz QIGMJCDWVDJCPO-QWHCGFSZSA-N 1 0 227.392 3.216 10 0 BGAERO c1cc(CC[C@@H]2CCCC[NH2+]C2)cs1 ZINC000134215884 372181501 /nfs/dbraw/zinc/18/15/01/372181501.db2.gz FXVAPADZIRAFHK-NSHDSACASA-N 1 0 209.358 3.070 10 0 BGAERO c1cc(CC[C@H]2CCCC[NH2+]C2)cs1 ZINC000134215901 372180518 /nfs/dbraw/zinc/18/05/18/372180518.db2.gz FXVAPADZIRAFHK-LLVKDONJSA-N 1 0 209.358 3.070 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)cc1C ZINC000134239557 325350254 /nfs/dbraw/zinc/35/02/54/325350254.db2.gz PWLRTDLSQGYMGJ-SQWLQELKSA-N 1 0 247.382 3.440 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)cc1C ZINC000134239595 323196054 /nfs/dbraw/zinc/19/60/54/323196054.db2.gz PWLRTDLSQGYMGJ-LZWOXQAQSA-N 1 0 247.382 3.440 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000134239634 358783912 /nfs/dbraw/zinc/78/39/12/358783912.db2.gz SUPYKBIKLHYBMO-UHOFOFEASA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000134239674 358783730 /nfs/dbraw/zinc/78/37/30/358783730.db2.gz SUPYKBIKLHYBMO-KCXAZCMYSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000134243200 171831593 /nfs/dbraw/zinc/83/15/93/171831593.db2.gz YXZCIDLEFBMUTQ-CKYFFXLPSA-N 1 0 239.384 3.139 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)s1 ZINC000134243221 384340474 /nfs/dbraw/zinc/34/04/74/384340474.db2.gz YXZCIDLEFBMUTQ-HOSYDEDBSA-N 1 0 239.384 3.139 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)s1 ZINC000134243265 171840935 /nfs/dbraw/zinc/84/09/35/171840935.db2.gz YXZCIDLEFBMUTQ-UMNHJUIQSA-N 1 0 239.384 3.139 10 0 BGAERO CC(C)Cc1ccc(C[NH2+][C@@H]2CCO[C@@H]2C)cc1 ZINC000134246156 134705115 /nfs/dbraw/zinc/70/51/15/134705115.db2.gz YDAYGDDMFCCIRL-CZUORRHYSA-N 1 0 247.382 3.152 10 0 BGAERO CC(C)Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000134246180 358784634 /nfs/dbraw/zinc/78/46/34/358784634.db2.gz YDAYGDDMFCCIRL-XJKSGUPXSA-N 1 0 247.382 3.152 10 0 BGAERO CC(C)Cc1ccc(C[NH2+][C@H]2CCO[C@@H]2C)cc1 ZINC000134246201 358784702 /nfs/dbraw/zinc/78/47/02/358784702.db2.gz YDAYGDDMFCCIRL-CJNGLKHVSA-N 1 0 247.382 3.152 10 0 BGAERO CC(C)Cc1ccc(C[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000134246219 134705271 /nfs/dbraw/zinc/70/52/71/134705271.db2.gz YDAYGDDMFCCIRL-BBRMVZONSA-N 1 0 247.382 3.152 10 0 BGAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134248147 179061403 /nfs/dbraw/zinc/06/14/03/179061403.db2.gz YCSKHPVRUKCFDI-SQWLQELKSA-N 1 0 247.382 3.083 10 0 BGAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134248187 179062338 /nfs/dbraw/zinc/06/23/38/179062338.db2.gz YCSKHPVRUKCFDI-LZWOXQAQSA-N 1 0 247.382 3.083 10 0 BGAERO C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000134248600 358784523 /nfs/dbraw/zinc/78/45/23/358784523.db2.gz WYBPFEGXHRYJHE-BHTHQVBYSA-N 1 0 245.366 3.392 10 0 BGAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCO[C@@H]1C ZINC000134248782 384343932 /nfs/dbraw/zinc/34/39/32/384343932.db2.gz VRBIVPUARRBVSA-BXUZGUMPSA-N 1 0 245.322 3.008 10 0 BGAERO Cc1oc2ccccc2c1C[NH2+][C@H]1CCO[C@@H]1C ZINC000134248804 384342208 /nfs/dbraw/zinc/34/22/08/384342208.db2.gz VRBIVPUARRBVSA-RISCZKNCSA-N 1 0 245.322 3.008 10 0 BGAERO Cc1oc2ccccc2c1C[NH2+][C@@H]1CCO[C@H]1C ZINC000134248832 384343801 /nfs/dbraw/zinc/34/38/01/384343801.db2.gz VRBIVPUARRBVSA-SMDDNHRTSA-N 1 0 245.322 3.008 10 0 BGAERO Cc1oc2ccccc2c1C[NH2+][C@H]1CCO[C@H]1C ZINC000134248851 180534331 /nfs/dbraw/zinc/53/43/31/180534331.db2.gz VRBIVPUARRBVSA-FZMZJTMJSA-N 1 0 245.322 3.008 10 0 BGAERO C[C@@H](CC[NH3+])Nc1ccnc2cc(Cl)ccc21 ZINC000134275292 343193891 /nfs/dbraw/zinc/19/38/91/343193891.db2.gz HFDRHQJQEHOXCM-VIFPVBQESA-N 1 0 249.745 3.037 10 0 BGAERO C[C@H](CC[NH3+])Nc1ccnc2cc(Cl)ccc21 ZINC000134275310 343193894 /nfs/dbraw/zinc/19/38/94/343193894.db2.gz HFDRHQJQEHOXCM-SECBINFHSA-N 1 0 249.745 3.037 10 0 BGAERO Cc1cnc(C(C)(C)[NH2+][C@@H](C)C(C)C)s1 ZINC000134276902 491162870 /nfs/dbraw/zinc/16/28/70/491162870.db2.gz JLCHGPGXQXRTKC-JTQLQIEISA-N 1 0 226.389 3.321 10 0 BGAERO Cc1cnc(C(C)(C)[NH2+][C@H](C)C(C)C)s1 ZINC000134276922 491162872 /nfs/dbraw/zinc/16/28/72/491162872.db2.gz JLCHGPGXQXRTKC-SNVBAGLBSA-N 1 0 226.389 3.321 10 0 BGAERO Clc1cc(Cl)cc(C[C@@H]2CCC[NH2+]2)c1 ZINC000134341284 372197567 /nfs/dbraw/zinc/19/75/67/372197567.db2.gz PPLLWILPLWMCJI-NSHDSACASA-N 1 0 230.138 3.288 10 0 BGAERO Clc1cc(Cl)cc(C[C@H]2CCC[NH2+]2)c1 ZINC000134341300 372197741 /nfs/dbraw/zinc/19/77/41/372197741.db2.gz PPLLWILPLWMCJI-LLVKDONJSA-N 1 0 230.138 3.288 10 0 BGAERO C[C@]1(Cc2ccc(C(F)F)cc2)CCC[NH2+]1 ZINC000134344719 259366243 /nfs/dbraw/zinc/36/62/43/259366243.db2.gz ABRJOBFRBRJDLK-CYBMUJFWSA-N 1 0 225.282 3.309 10 0 BGAERO C[C@@]1(Cc2ccc(C(F)F)cc2)CCC[NH2+]1 ZINC000134344741 259366226 /nfs/dbraw/zinc/36/62/26/259366226.db2.gz ABRJOBFRBRJDLK-ZDUSSCGKSA-N 1 0 225.282 3.309 10 0 BGAERO C[C@]1(Cc2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000134345116 343075446 /nfs/dbraw/zinc/07/54/46/343075446.db2.gz DEEYDYMOOUAFJT-GFCCVEGCSA-N 1 0 227.710 3.164 10 0 BGAERO C[C@@]1(Cc2ccc(Cl)c(F)c2)CCC[NH2+]1 ZINC000134345133 355848317 /nfs/dbraw/zinc/84/83/17/355848317.db2.gz DEEYDYMOOUAFJT-LBPRGKRZSA-N 1 0 227.710 3.164 10 0 BGAERO C[C@]1(Cc2cc(Cl)cs2)CCC[NH2+]1 ZINC000134345516 372197389 /nfs/dbraw/zinc/19/73/89/372197389.db2.gz CDWYHSPANTYBRQ-SNVBAGLBSA-N 1 0 215.749 3.086 10 0 BGAERO C[C@@]1(Cc2cc(Cl)cs2)CCC[NH2+]1 ZINC000134345539 372197967 /nfs/dbraw/zinc/19/79/67/372197967.db2.gz CDWYHSPANTYBRQ-JTQLQIEISA-N 1 0 215.749 3.086 10 0 BGAERO Cc1cc(C[C@]2(C)CCC[NH2+]2)c(C)s1 ZINC000134346161 353479581 /nfs/dbraw/zinc/47/95/81/353479581.db2.gz KONZYWKPMRABLL-LBPRGKRZSA-N 1 0 209.358 3.050 10 0 BGAERO Cc1cc(C[C@@]2(C)CCC[NH2+]2)c(C)s1 ZINC000134346184 372197820 /nfs/dbraw/zinc/19/78/20/372197820.db2.gz KONZYWKPMRABLL-GFCCVEGCSA-N 1 0 209.358 3.050 10 0 BGAERO CC[C@]1(Cc2ccc(C)s2)CCC[NH2+]1 ZINC000134347199 372198220 /nfs/dbraw/zinc/19/82/20/372198220.db2.gz NDZQMFHVPILRSX-GFCCVEGCSA-N 1 0 209.358 3.131 10 0 BGAERO CC[C@@]1(Cc2ccc(C)s2)CCC[NH2+]1 ZINC000134347221 372197576 /nfs/dbraw/zinc/19/75/76/372197576.db2.gz NDZQMFHVPILRSX-LBPRGKRZSA-N 1 0 209.358 3.131 10 0 BGAERO CC[C@]1(Cc2sccc2C)CCC[NH2+]1 ZINC000134348952 372198424 /nfs/dbraw/zinc/19/84/24/372198424.db2.gz JGBLDZARXHSVDB-GFCCVEGCSA-N 1 0 209.358 3.131 10 0 BGAERO CC[C@@]1(Cc2sccc2C)CCC[NH2+]1 ZINC000134348977 372198823 /nfs/dbraw/zinc/19/88/23/372198823.db2.gz JGBLDZARXHSVDB-LBPRGKRZSA-N 1 0 209.358 3.131 10 0 BGAERO CC[C@]1(Cc2cc(Cl)cs2)CCC[NH2+]1 ZINC000134349207 372197508 /nfs/dbraw/zinc/19/75/08/372197508.db2.gz JTBHIRIPVXAGOF-LLVKDONJSA-N 1 0 229.776 3.476 10 0 BGAERO CC[C@@]1(Cc2cc(Cl)cs2)CCC[NH2+]1 ZINC000134349225 372198344 /nfs/dbraw/zinc/19/83/44/372198344.db2.gz JTBHIRIPVXAGOF-NSHDSACASA-N 1 0 229.776 3.476 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(C2CC2)s1 ZINC000134380083 711680845 /nfs/dbraw/zinc/68/08/45/711680845.db2.gz CTCHBQJLMOUWQK-ZYHUDNBSSA-N 1 0 236.384 3.299 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CCCCCC1 ZINC000134400820 323024054 /nfs/dbraw/zinc/02/40/54/323024054.db2.gz FJALEJBINLDUNX-OUCADQQQSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)C1CCCCCC1 ZINC000134400841 325357430 /nfs/dbraw/zinc/35/74/30/325357430.db2.gz FJALEJBINLDUNX-SGMGOOAPSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)C1CCCCCC1 ZINC000134400862 323024050 /nfs/dbraw/zinc/02/40/50/323024050.db2.gz FJALEJBINLDUNX-SCRDCRAPSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)C1CCCCCC1 ZINC000134400878 325357353 /nfs/dbraw/zinc/35/73/53/325357353.db2.gz FJALEJBINLDUNX-OBJOEFQTSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)C1CCCCCC1 ZINC000134400905 325357254 /nfs/dbraw/zinc/35/72/54/325357254.db2.gz FJALEJBINLDUNX-YRGRVCCFSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000134529131 490545601 /nfs/dbraw/zinc/54/56/01/490545601.db2.gz OWKFAXCRLUTFOW-YNEHKIRRSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCC(C)(C)CC1 ZINC000134529174 487988286 /nfs/dbraw/zinc/98/82/86/487988286.db2.gz OWKFAXCRLUTFOW-XQQFMLRXSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1C ZINC000134534352 325364180 /nfs/dbraw/zinc/36/41/80/325364180.db2.gz DZLGAVRUVSAFRP-BXUZGUMPSA-N 1 0 221.319 3.412 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000134534821 487988621 /nfs/dbraw/zinc/98/86/21/487988621.db2.gz WEXLGNQCAWMVHC-YIYPIFLZSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@H]([NH2+]C1CC(OC(C)(C)C)C1)C(C)C ZINC000134553036 325365279 /nfs/dbraw/zinc/36/52/79/325365279.db2.gz ZHLZOBGOBQJXDO-BPCQOVAHSA-N 1 0 227.392 3.357 10 0 BGAERO CC[C@@H]([NH2+]C1CC(OC(C)(C)C)C1)C(C)C ZINC000134553060 325365196 /nfs/dbraw/zinc/36/51/96/325365196.db2.gz ZHLZOBGOBQJXDO-WXRRBKDZSA-N 1 0 227.392 3.357 10 0 BGAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)CCCO ZINC000134557007 323024770 /nfs/dbraw/zinc/02/47/70/323024770.db2.gz KSQMRHTVWGEXDQ-MJBXVCDLSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)CCCO ZINC000134557047 325365250 /nfs/dbraw/zinc/36/52/50/325365250.db2.gz KSQMRHTVWGEXDQ-BFHYXJOUSA-N 1 0 227.392 3.096 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]1C)[C@H](C)C2 ZINC000134557925 325365206 /nfs/dbraw/zinc/36/52/06/325365206.db2.gz UTKCJVJVCWQCJA-RBDSIQFVSA-N 1 0 215.340 3.226 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]1C)[C@@H](C)C2 ZINC000134557965 325365372 /nfs/dbraw/zinc/36/53/72/325365372.db2.gz UTKCJVJVCWQCJA-UOVKNHIHSA-N 1 0 215.340 3.226 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134590084 323024931 /nfs/dbraw/zinc/02/49/31/323024931.db2.gz VEZXGINKYMLQKE-XVSSEFHLSA-N 1 0 225.376 3.111 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134590106 325366583 /nfs/dbraw/zinc/36/65/83/325366583.db2.gz VEZXGINKYMLQKE-WTIISPKJSA-N 1 0 225.376 3.111 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134590130 325366572 /nfs/dbraw/zinc/36/65/72/325366572.db2.gz VEZXGINKYMLQKE-IKWCTNDRSA-N 1 0 225.376 3.111 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]C1CC(OC(C)(C)C)C1 ZINC000134590152 325366627 /nfs/dbraw/zinc/36/66/27/325366627.db2.gz VEZXGINKYMLQKE-YWPUVAFDSA-N 1 0 225.376 3.111 10 0 BGAERO Cc1cc(C[NH2+]C[C@@H]2C[C@@H]2C)ccc1Cl ZINC000134652156 591945279 /nfs/dbraw/zinc/94/52/79/591945279.db2.gz CBVFJSBLDYIWGV-CABZTGNLSA-N 1 0 223.747 3.394 10 0 BGAERO Cc1cc(C[NH2+]C[C@H]2C[C@@H]2C)ccc1Cl ZINC000134652177 591945023 /nfs/dbraw/zinc/94/50/23/591945023.db2.gz CBVFJSBLDYIWGV-JOYOIKCWSA-N 1 0 223.747 3.394 10 0 BGAERO Cc1cc(C[NH2+]C[C@@H]2C[C@H]2C)ccc1Cl ZINC000134652203 591944822 /nfs/dbraw/zinc/94/48/22/591944822.db2.gz CBVFJSBLDYIWGV-SKDRFNHKSA-N 1 0 223.747 3.394 10 0 BGAERO Cc1cc(C[NH2+]C[C@H]2C[C@H]2C)ccc1Cl ZINC000134652222 591945500 /nfs/dbraw/zinc/94/55/00/591945500.db2.gz CBVFJSBLDYIWGV-BXKDBHETSA-N 1 0 223.747 3.394 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2C[C@@H]2C)ccc1Cl ZINC000134652947 591944753 /nfs/dbraw/zinc/94/47/53/591944753.db2.gz HGKAIYWUOGLTAN-JOYOIKCWSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(C[NH2+][C@H]2C[C@@H]2C)ccc1Cl ZINC000134652972 591945255 /nfs/dbraw/zinc/94/52/55/591945255.db2.gz HGKAIYWUOGLTAN-CABZTGNLSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2C[C@H]2C)ccc1Cl ZINC000134652991 591944638 /nfs/dbraw/zinc/94/46/38/591944638.db2.gz HGKAIYWUOGLTAN-BXKDBHETSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(C[NH2+][C@H]2C[C@H]2C)ccc1Cl ZINC000134653014 591945187 /nfs/dbraw/zinc/94/51/87/591945187.db2.gz HGKAIYWUOGLTAN-SKDRFNHKSA-N 1 0 209.720 3.146 10 0 BGAERO CSCCC[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134654034 584910184 /nfs/dbraw/zinc/91/01/84/584910184.db2.gz ATKXDNLETWWJGN-UHFFFAOYSA-N 1 0 243.803 3.491 10 0 BGAERO CSC[C@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134654092 591944666 /nfs/dbraw/zinc/94/46/66/591944666.db2.gz PLSLXZBOCPLFGG-JTQLQIEISA-N 1 0 243.803 3.490 10 0 BGAERO CSC[C@@H](C)[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134654113 591944894 /nfs/dbraw/zinc/94/48/94/591944894.db2.gz PLSLXZBOCPLFGG-SNVBAGLBSA-N 1 0 243.803 3.490 10 0 BGAERO Cc1cc(C[NH2+]CCCF)ccc1Cl ZINC000134656068 591945482 /nfs/dbraw/zinc/94/54/82/591945482.db2.gz FITHYLCZTBKQOQ-UHFFFAOYSA-N 1 0 215.699 3.098 10 0 BGAERO CS[C@H](C)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134656301 591945191 /nfs/dbraw/zinc/94/51/91/591945191.db2.gz GDJSJCXSUAFLTQ-SNVBAGLBSA-N 1 0 243.803 3.490 10 0 BGAERO CS[C@@H](C)C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000134656324 591945542 /nfs/dbraw/zinc/94/55/42/591945542.db2.gz GDJSJCXSUAFLTQ-JTQLQIEISA-N 1 0 243.803 3.490 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000134795994 134722951 /nfs/dbraw/zinc/72/29/51/134722951.db2.gz DEFXTFXOYWVQLK-KGLIPLIRSA-N 1 0 227.392 3.360 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+]CCCCOC(C)C)C1 ZINC000134796016 134722277 /nfs/dbraw/zinc/72/22/77/134722277.db2.gz DEFXTFXOYWVQLK-KBPBESRZSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134824276 325377993 /nfs/dbraw/zinc/37/79/93/325377993.db2.gz UAUZUCXWMVSJCW-CQSZACIVSA-N 1 0 249.329 3.273 10 0 BGAERO CCC[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134824299 325377849 /nfs/dbraw/zinc/37/78/49/325377849.db2.gz UAUZUCXWMVSJCW-AWEZNQCLSA-N 1 0 249.329 3.273 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H]1CC(=O)c1ccc(F)cc1 ZINC000134841320 358807858 /nfs/dbraw/zinc/80/78/58/358807858.db2.gz PSWXTTWZKHPNCO-CQSZACIVSA-N 1 0 249.329 3.271 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H]1CC(=O)c1ccc(F)cc1 ZINC000134841344 358808292 /nfs/dbraw/zinc/80/82/92/358808292.db2.gz PSWXTTWZKHPNCO-AWEZNQCLSA-N 1 0 249.329 3.271 10 0 BGAERO CC(=[NH2+])Nc1cc(C)ccc1Br ZINC000134876052 342912787 /nfs/dbraw/zinc/91/27/87/342912787.db2.gz TZEPUNGEKDRPNU-UHFFFAOYSA-N 1 0 227.105 3.167 10 0 BGAERO CC[C@H]([NH2+]C1CCC(OC)CC1)C(C)(C)C ZINC000134876607 325380922 /nfs/dbraw/zinc/38/09/22/325380922.db2.gz URHKLKPFAHORDC-BPCQOVAHSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH2+]C1CCC(OC)CC1)C(C)(C)C ZINC000134876622 325380722 /nfs/dbraw/zinc/38/07/22/325380722.db2.gz URHKLKPFAHORDC-WXRRBKDZSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH3+])c1c[nH]c2cccc(Cl)c21 ZINC000134881395 409662176 /nfs/dbraw/zinc/66/21/76/409662176.db2.gz CYGJUGVESDMOOO-SECBINFHSA-N 1 0 208.692 3.231 10 0 BGAERO CCc1cnc([C@@H](C)Nc2ccccn2)s1 ZINC000134928997 353513632 /nfs/dbraw/zinc/51/36/32/353513632.db2.gz HOBCGMCBIQQIDE-SECBINFHSA-N 1 0 233.340 3.274 10 0 BGAERO CCc1cnc([C@H](C)Nc2ccccn2)s1 ZINC000134929016 353513629 /nfs/dbraw/zinc/51/36/29/353513629.db2.gz HOBCGMCBIQQIDE-VIFPVBQESA-N 1 0 233.340 3.274 10 0 BGAERO CC[C@H]1CC[C@@H]([NH2+]CC(C)(C)CCOC)C1 ZINC000135002942 536092751 /nfs/dbraw/zinc/09/27/51/536092751.db2.gz UFMDEAHHKZPOIJ-QWHCGFSZSA-N 1 0 227.392 3.217 10 0 BGAERO c1coc([C@@H]2CCCN2Cc2nccs2)c1 ZINC000135083856 358819869 /nfs/dbraw/zinc/81/98/69/358819869.db2.gz VYJYXOZNHGXPMW-JTQLQIEISA-N 1 0 234.324 3.073 10 0 BGAERO c1coc([C@H]2CCCN2Cc2nccs2)c1 ZINC000135083871 358820023 /nfs/dbraw/zinc/82/00/23/358820023.db2.gz VYJYXOZNHGXPMW-SNVBAGLBSA-N 1 0 234.324 3.073 10 0 BGAERO CC[C@H]([NH2+]C)c1csc(Br)c1 ZINC000135125536 343939417 /nfs/dbraw/zinc/93/94/17/343939417.db2.gz XZWIZLOCAASNDE-ZETCQYMHSA-N 1 0 234.162 3.181 10 0 BGAERO CC[C@@H]([NH2+]C)c1csc(Br)c1 ZINC000135125556 353536017 /nfs/dbraw/zinc/53/60/17/353536017.db2.gz XZWIZLOCAASNDE-SSDOTTSWSA-N 1 0 234.162 3.181 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]CCCn2nc(C)cc2C)C1 ZINC000135129220 134438207 /nfs/dbraw/zinc/43/82/07/134438207.db2.gz DDASACIJFJOXEQ-CABCVRRESA-N 1 0 249.402 3.058 10 0 BGAERO CC[C@H]1CC[C@@H]([NH2+]CCCn2nc(C)cc2C)C1 ZINC000135129273 536093949 /nfs/dbraw/zinc/09/39/49/536093949.db2.gz DDASACIJFJOXEQ-LSDHHAIUSA-N 1 0 249.402 3.058 10 0 BGAERO CCC[C@H]([NH3+])[C@@H]1CCCc2sccc21 ZINC000135174489 343963911 /nfs/dbraw/zinc/96/39/11/343963911.db2.gz WRECZNPXNRNHPQ-KOLCDFICSA-N 1 0 209.358 3.295 10 0 BGAERO CCC[C@@H]([NH3+])[C@@H]1CCCc2sccc21 ZINC000135174513 343963933 /nfs/dbraw/zinc/96/39/33/343963933.db2.gz WRECZNPXNRNHPQ-MWLCHTKSSA-N 1 0 209.358 3.295 10 0 BGAERO CCC[C@H]([NH3+])[C@H]1CCCc2sccc21 ZINC000135174533 384169546 /nfs/dbraw/zinc/16/95/46/384169546.db2.gz WRECZNPXNRNHPQ-ONGXEEELSA-N 1 0 209.358 3.295 10 0 BGAERO CCC[C@@H]([NH3+])[C@H]1CCCc2sccc21 ZINC000135174550 384169953 /nfs/dbraw/zinc/16/99/53/384169953.db2.gz WRECZNPXNRNHPQ-GXSJLCMTSA-N 1 0 209.358 3.295 10 0 BGAERO CCC[C@H]([NH3+])c1csc(Br)c1 ZINC000135179177 384168854 /nfs/dbraw/zinc/16/88/54/384168854.db2.gz DPQDSBLDXKFVHJ-ZETCQYMHSA-N 1 0 234.162 3.311 10 0 BGAERO CCC[C@@H]([NH3+])c1csc(Br)c1 ZINC000135179197 384169217 /nfs/dbraw/zinc/16/92/17/384169217.db2.gz DPQDSBLDXKFVHJ-SSDOTTSWSA-N 1 0 234.162 3.311 10 0 BGAERO CC(C)C[C@H]([NH3+])C1CCC(F)(F)CC1 ZINC000135290053 344155866 /nfs/dbraw/zinc/15/58/66/344155866.db2.gz VNIIQNISGSJPKW-JTQLQIEISA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)C[C@@H]([NH3+])C1CCC(F)(F)CC1 ZINC000135290073 344155704 /nfs/dbraw/zinc/15/57/04/344155704.db2.gz VNIIQNISGSJPKW-SNVBAGLBSA-N 1 0 205.292 3.185 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000135294910 358828425 /nfs/dbraw/zinc/82/84/25/358828425.db2.gz QVINRMPUEUPELV-GZBFAFLISA-N 1 0 233.355 3.131 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000135294950 358828444 /nfs/dbraw/zinc/82/84/44/358828444.db2.gz QVINRMPUEUPELV-GUTXKFCHSA-N 1 0 233.355 3.131 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000135306766 384433366 /nfs/dbraw/zinc/43/33/66/384433366.db2.gz QWLDCPUDWQWPRH-HWWQOWPSSA-N 1 0 245.366 3.003 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc2c(c1)CCC2 ZINC000135306783 384434644 /nfs/dbraw/zinc/43/46/44/384434644.db2.gz QWLDCPUDWQWPRH-MQIPJXDCSA-N 1 0 245.366 3.003 10 0 BGAERO C[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccc2c(c1)CCC2 ZINC000135306802 384434738 /nfs/dbraw/zinc/43/47/38/384434738.db2.gz QWLDCPUDWQWPRH-OZVIIMIRSA-N 1 0 245.366 3.003 10 0 BGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc2c(c1)CCC2 ZINC000135306826 384433688 /nfs/dbraw/zinc/43/36/88/384433688.db2.gz QWLDCPUDWQWPRH-MKBNYLNASA-N 1 0 245.366 3.003 10 0 BGAERO C[N@H+](CCC1CC1)Cc1ccc2ccccc2n1 ZINC000135309374 358831421 /nfs/dbraw/zinc/83/14/21/358831421.db2.gz GEQHRQRUKIVKRM-UHFFFAOYSA-N 1 0 240.350 3.467 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000135311599 325406861 /nfs/dbraw/zinc/40/68/61/325406861.db2.gz RDMBCOGHCZFRNU-APHBMKBZSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCCc2ccccc21 ZINC000135311634 388490578 /nfs/dbraw/zinc/49/05/78/388490578.db2.gz RDMBCOGHCZFRNU-VBNZEHGJSA-N 1 0 245.366 3.221 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(Br)cc1Cl ZINC000135363429 344230744 /nfs/dbraw/zinc/23/07/44/344230744.db2.gz XZOPJRYSAFPUPD-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1ccc(Br)cc1Cl ZINC000135363444 345439096 /nfs/dbraw/zinc/43/90/96/345439096.db2.gz XZOPJRYSAFPUPD-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO C[C@H]([NH2+]Cc1cncc2ccccc21)C1CC1 ZINC000135371784 592010220 /nfs/dbraw/zinc/01/02/20/592010220.db2.gz LNWCSEQSVSFXMY-NSHDSACASA-N 1 0 226.323 3.123 10 0 BGAERO [NH3+][C@@H]1CCCCc2cn(Cc3ccccc3)cc21 ZINC000135395298 344254838 /nfs/dbraw/zinc/25/48/38/344254838.db2.gz QUSNLBDBOAKOCY-MRXNPFEDSA-N 1 0 240.350 3.263 10 0 BGAERO [NH3+][C@H]1CCCCc2cn(Cc3ccccc3)cc21 ZINC000135395316 344254530 /nfs/dbraw/zinc/25/45/30/344254530.db2.gz QUSNLBDBOAKOCY-INIZCTEOSA-N 1 0 240.350 3.263 10 0 BGAERO C[NH2+][C@@H]1CCCc2cn(Cc3ccccc3)cc21 ZINC000135504751 344505919 /nfs/dbraw/zinc/50/59/19/344505919.db2.gz LHYWJGSGTAUCOB-MRXNPFEDSA-N 1 0 240.350 3.133 10 0 BGAERO C[NH2+][C@H]1CCCc2cn(Cc3ccccc3)cc21 ZINC000135504770 345443768 /nfs/dbraw/zinc/44/37/68/345443768.db2.gz LHYWJGSGTAUCOB-INIZCTEOSA-N 1 0 240.350 3.133 10 0 BGAERO CC1CC([NH2+]Cc2ccnc3ccccc23)C1 ZINC000135563540 323029850 /nfs/dbraw/zinc/02/98/50/323029850.db2.gz QGKBJNGFFQICKA-UHFFFAOYSA-N 1 0 226.323 3.123 10 0 BGAERO Cc1cc(C)cc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000135611703 343193669 /nfs/dbraw/zinc/19/36/69/343193669.db2.gz GMBRDSCWBGBEBC-HZPDHXFCSA-N 1 0 247.382 3.087 10 0 BGAERO Cc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2O)c1C ZINC000135652253 345447793 /nfs/dbraw/zinc/44/77/93/345447793.db2.gz OSXREELTRACEES-HZPDHXFCSA-N 1 0 247.382 3.087 10 0 BGAERO O[C@@H]1CCCCC[C@H]1[NH2+]CC1CCCCCC1 ZINC000135663335 343193882 /nfs/dbraw/zinc/19/38/82/343193882.db2.gz QMZFOPJTSNOYSP-HUUCEWRRSA-N 1 0 239.403 3.240 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000135751341 592044993 /nfs/dbraw/zinc/04/49/93/592044993.db2.gz ICUOYJIUTNXXRI-GFCCVEGCSA-N 1 0 228.339 3.369 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1cncc2ccccc21 ZINC000135751367 592044873 /nfs/dbraw/zinc/04/48/73/592044873.db2.gz ICUOYJIUTNXXRI-LBPRGKRZSA-N 1 0 228.339 3.369 10 0 BGAERO FC(F)(F)SCC[NH2+]CCc1ccccc1 ZINC000136060773 711683298 /nfs/dbraw/zinc/68/32/98/711683298.db2.gz QHGIPARNFHAAFP-UHFFFAOYSA-N 1 0 249.301 3.072 10 0 BGAERO Nc1ccc2sc(C[NH+]3CCCC3)cc2c1 ZINC000136267995 356417043 /nfs/dbraw/zinc/41/70/43/356417043.db2.gz BSWCPGLZAYULAV-UHFFFAOYSA-N 1 0 232.352 3.079 10 0 BGAERO [NH3+][C@H](c1cccs1)c1ccnc2ccccc21 ZINC000136286099 346186381 /nfs/dbraw/zinc/18/63/81/346186381.db2.gz TXWPXHKPEKYREZ-AWEZNQCLSA-N 1 0 240.331 3.344 10 0 BGAERO [NH3+][C@@H](c1cccs1)c1ccnc2ccccc21 ZINC000136286159 346186333 /nfs/dbraw/zinc/18/63/33/346186333.db2.gz TXWPXHKPEKYREZ-CQSZACIVSA-N 1 0 240.331 3.344 10 0 BGAERO Nc1ccc2sc(C[NH+]3CCCCC3)cc2c1 ZINC000136289018 345811579 /nfs/dbraw/zinc/81/15/79/345811579.db2.gz NITRGJVFBJCZRU-UHFFFAOYSA-N 1 0 246.379 3.469 10 0 BGAERO c1ccc(CN2C=[NH+]c3ccccc3C2)cc1 ZINC000136289961 346186442 /nfs/dbraw/zinc/18/64/42/346186442.db2.gz HERJRWHBAKYPMX-UHFFFAOYSA-N 1 0 222.291 3.362 10 0 BGAERO CC(C)c1ccccc1NC(=O)C[C@H]([NH3+])C(C)C ZINC000136296039 488093042 /nfs/dbraw/zinc/09/30/42/488093042.db2.gz VRRLOSTVMRORAG-ZDUSSCGKSA-N 1 0 248.370 3.122 10 0 BGAERO CC(C)c1ccccc1NC(=O)C[C@@H]([NH3+])C(C)C ZINC000136296086 488092796 /nfs/dbraw/zinc/09/27/96/488092796.db2.gz VRRLOSTVMRORAG-CYBMUJFWSA-N 1 0 248.370 3.122 10 0 BGAERO CC(C)c1ccc(NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000136297854 488093026 /nfs/dbraw/zinc/09/30/26/488093026.db2.gz UCWIAWULYLCCPS-AWEZNQCLSA-N 1 0 248.370 3.122 10 0 BGAERO CC(C)c1ccc(NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000136297882 488093049 /nfs/dbraw/zinc/09/30/49/488093049.db2.gz UCWIAWULYLCCPS-CQSZACIVSA-N 1 0 248.370 3.122 10 0 BGAERO CC(C)c1cccc(NC(=O)C[C@H]([NH3+])C(C)C)c1 ZINC000136308733 488094162 /nfs/dbraw/zinc/09/41/62/488094162.db2.gz OICVGXVARMTDFM-AWEZNQCLSA-N 1 0 248.370 3.122 10 0 BGAERO CC(C)c1cccc(NC(=O)C[C@@H]([NH3+])C(C)C)c1 ZINC000136308769 488094086 /nfs/dbraw/zinc/09/40/86/488094086.db2.gz OICVGXVARMTDFM-CQSZACIVSA-N 1 0 248.370 3.122 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCc1ccc(O)cc1 ZINC000136467049 325455196 /nfs/dbraw/zinc/45/51/96/325455196.db2.gz ZPCFLRMUYXJEHX-JGGQBBKZSA-N 1 0 247.382 3.492 10 0 BGAERO O[C@H]1CCC2=C(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000136507234 345814676 /nfs/dbraw/zinc/81/46/76/345814676.db2.gz KMWGCUKJPXKLID-HNNXBMFYSA-N 1 0 243.350 3.081 10 0 BGAERO O[C@@H]1CCC2=C(CCC[N@@H+]2Cc2ccccc2)C1 ZINC000136507279 345814950 /nfs/dbraw/zinc/81/49/50/345814950.db2.gz KMWGCUKJPXKLID-OAHLLOKOSA-N 1 0 243.350 3.081 10 0 BGAERO [NH3+]Cc1cccc(C(F)(F)F)c1C(F)(F)F ZINC000136742423 345819599 /nfs/dbraw/zinc/81/95/99/345819599.db2.gz VXYHWBCOMLXUNI-UHFFFAOYSA-N 1 0 243.150 3.183 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000136969299 176233631 /nfs/dbraw/zinc/23/36/31/176233631.db2.gz PEWVSMDHAAFEKT-RISCZKNCSA-N 1 0 241.338 3.138 10 0 BGAERO C[C@H]1CC[C@H]([NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000136969342 177205405 /nfs/dbraw/zinc/20/54/05/177205405.db2.gz PEWVSMDHAAFEKT-FZMZJTMJSA-N 1 0 241.338 3.138 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000136969383 176213232 /nfs/dbraw/zinc/21/32/32/176213232.db2.gz PEWVSMDHAAFEKT-BXUZGUMPSA-N 1 0 241.338 3.138 10 0 BGAERO C[C@H]1CC[C@@H]([NH2+]Cc2ncc[nH]2)c2ccccc21 ZINC000136969423 177193062 /nfs/dbraw/zinc/19/30/62/177193062.db2.gz PEWVSMDHAAFEKT-SMDDNHRTSA-N 1 0 241.338 3.138 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+]Cc2cnc[nH]2)c2ccccc21 ZINC000136970660 711763191 /nfs/dbraw/zinc/76/31/91/711763191.db2.gz IUTQKGTXMQTKLU-ABAIWWIYSA-N 1 0 241.338 3.138 10 0 BGAERO C[C@H]1CC[C@H]([NH2+]Cc2cnc[nH]2)c2ccccc21 ZINC000136970702 711763178 /nfs/dbraw/zinc/76/31/78/711763178.db2.gz IUTQKGTXMQTKLU-NHYWBVRUSA-N 1 0 241.338 3.138 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2cnc[nH]2)c2ccccc21 ZINC000136970747 711763097 /nfs/dbraw/zinc/76/30/97/711763097.db2.gz IUTQKGTXMQTKLU-IAQYHMDHSA-N 1 0 241.338 3.138 10 0 BGAERO C[C@H]1CC[C@@H]([NH2+]Cc2cnc[nH]2)c2ccccc21 ZINC000136970791 711763143 /nfs/dbraw/zinc/76/31/43/711763143.db2.gz IUTQKGTXMQTKLU-XHDPSFHLSA-N 1 0 241.338 3.138 10 0 BGAERO [NH3+]CCSC1c2ccccc2-c2ccccc21 ZINC000137209444 345838570 /nfs/dbraw/zinc/83/85/70/345838570.db2.gz DWXJHWQKTOETBM-UHFFFAOYSA-N 1 0 241.359 3.448 10 0 BGAERO [NH3+]C/C=C/c1ccc(Cl)c(Br)c1 ZINC000137244140 411425578 /nfs/dbraw/zinc/42/55/78/411425578.db2.gz OVVAQHZHMCLBHV-OWOJBTEDSA-N 1 0 246.535 3.074 10 0 BGAERO CCO[C@@H]1C[C@H]([N@H+](C)CCCF)C12CCCC2 ZINC000137625248 358898090 /nfs/dbraw/zinc/89/80/90/358898090.db2.gz KYYCRPIJAKRVSP-QWHCGFSZSA-N 1 0 243.366 3.016 10 0 BGAERO CCO[C@H]1C[C@H]([N@H+](C)CCCF)C12CCCC2 ZINC000137625311 358898174 /nfs/dbraw/zinc/89/81/74/358898174.db2.gz KYYCRPIJAKRVSP-STQMWFEESA-N 1 0 243.366 3.016 10 0 BGAERO CCO[C@@H]1C[C@@H]([N@H+](C)CCCF)C12CCCC2 ZINC000137625369 134781932 /nfs/dbraw/zinc/78/19/32/134781932.db2.gz KYYCRPIJAKRVSP-CHWSQXEVSA-N 1 0 243.366 3.016 10 0 BGAERO CCO[C@H]1C[C@@H]([N@H+](C)CCCF)C12CCCC2 ZINC000137625430 358898195 /nfs/dbraw/zinc/89/81/95/358898195.db2.gz KYYCRPIJAKRVSP-OLZOCXBDSA-N 1 0 243.366 3.016 10 0 BGAERO C[C@H](c1ccccc1)[N@@H+]1[C@H]2CC[C@@H]1[C@H](O)CCC2 ZINC000137781310 345849746 /nfs/dbraw/zinc/84/97/46/345849746.db2.gz LLXOVIPWOAQABO-DTZQCDIJSA-N 1 0 245.366 3.125 10 0 BGAERO C[C@@H]([NH2+][C@H]1CCC=CCC[C@@H]1O)c1ccccc1 ZINC000137781425 345694920 /nfs/dbraw/zinc/69/49/20/345694920.db2.gz QYTZBFOLNQADRN-KBMXLJTQSA-N 1 0 245.366 3.197 10 0 BGAERO c1c2ccccc2[nH]c1[C@@H]1C[NH2+]Cc2ccccc21 ZINC000137784058 345849821 /nfs/dbraw/zinc/84/98/21/345849821.db2.gz UDKNFVYZFLKFST-OAHLLOKOSA-N 1 0 248.329 3.403 10 0 BGAERO c1c2ccccc2[nH]c1[C@H]1C[NH2+]Cc2ccccc21 ZINC000137784111 345849663 /nfs/dbraw/zinc/84/96/63/345849663.db2.gz UDKNFVYZFLKFST-HNNXBMFYSA-N 1 0 248.329 3.403 10 0 BGAERO CCc1cc(NCc2ccccc2)cc[nH+]1 ZINC000137825133 356424523 /nfs/dbraw/zinc/42/45/23/356424523.db2.gz DVCKXJYTQUPEDI-UHFFFAOYSA-N 1 0 212.296 3.256 10 0 BGAERO c1ccc2cc(CO[C@@H]3CCC[NH2+]C3)ccc2c1 ZINC000138354962 342824330 /nfs/dbraw/zinc/82/43/30/342824330.db2.gz ZBAZATDSUZUCSR-MRXNPFEDSA-N 1 0 241.334 3.108 10 0 BGAERO c1ccc2cc(CO[C@H]3CCC[NH2+]C3)ccc2c1 ZINC000138355052 342824388 /nfs/dbraw/zinc/82/43/88/342824388.db2.gz ZBAZATDSUZUCSR-INIZCTEOSA-N 1 0 241.334 3.108 10 0 BGAERO CCCc1c(CC)c(C[C@@H](C)[NH3+])c2ccccn21 ZINC000138410713 342835089 /nfs/dbraw/zinc/83/50/89/342835089.db2.gz UJFXKOFUQKSTDC-GFCCVEGCSA-N 1 0 244.382 3.344 10 0 BGAERO CCCc1c(CC)c(C[C@H](C)[NH3+])c2ccccn21 ZINC000138410832 342835067 /nfs/dbraw/zinc/83/50/67/342835067.db2.gz UJFXKOFUQKSTDC-LBPRGKRZSA-N 1 0 244.382 3.344 10 0 BGAERO C[NH+]1CCC(c2cnc3ccccc3c2)CC1 ZINC000138520183 360789278 /nfs/dbraw/zinc/78/92/78/360789278.db2.gz OEPDZZDVNUKWRG-UHFFFAOYSA-N 1 0 226.323 3.044 10 0 BGAERO C[C@@H]1CC2(CCCC2)[N+](O)=Cc2ccccc21 ZINC000138618322 360995477 /nfs/dbraw/zinc/99/54/77/360995477.db2.gz SIFCTXUNGGVQAO-GFCCVEGCSA-N 1 0 230.331 3.327 10 0 BGAERO C[C@H]1CC2(CCCC2)[N+](O)=Cc2ccccc21 ZINC000138618443 360995412 /nfs/dbraw/zinc/99/54/12/360995412.db2.gz SIFCTXUNGGVQAO-LBPRGKRZSA-N 1 0 230.331 3.327 10 0 BGAERO Cc1cc(N2CCCCC2)c2cccc(O)c2[nH+]1 ZINC000138641435 342980598 /nfs/dbraw/zinc/98/05/98/342980598.db2.gz KAFXKKXEIVYXAV-UHFFFAOYSA-N 1 0 242.322 3.239 10 0 BGAERO CC(C)([NH3+])Cc1cc2ccccc2s1 ZINC000138710124 342996240 /nfs/dbraw/zinc/99/62/40/342996240.db2.gz VWGDOGNNZBXMGM-UHFFFAOYSA-N 1 0 205.326 3.181 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1C ZINC000138907048 592320154 /nfs/dbraw/zinc/32/01/54/592320154.db2.gz WZOOIGIMUXUAPA-OLZOCXBDSA-N 1 0 243.354 3.438 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)cc1C ZINC000138907132 592320304 /nfs/dbraw/zinc/32/03/04/592320304.db2.gz WZOOIGIMUXUAPA-STQMWFEESA-N 1 0 243.354 3.438 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1C ZINC000138907213 592320834 /nfs/dbraw/zinc/32/08/34/592320834.db2.gz WZOOIGIMUXUAPA-CHWSQXEVSA-N 1 0 243.354 3.438 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)cc1C ZINC000138907297 592320735 /nfs/dbraw/zinc/32/07/35/592320735.db2.gz WZOOIGIMUXUAPA-QWHCGFSZSA-N 1 0 243.354 3.438 10 0 BGAERO Cc1ccccc1[C@H](C)N[C@H](C)c1ncc[nH]1 ZINC000138909573 179338556 /nfs/dbraw/zinc/33/85/56/179338556.db2.gz CPXJJFFHJAMDJQ-NWDGAFQWSA-N 1 0 229.327 3.130 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2ncc[nH]2)c(C)c1 ZINC000138998170 592332868 /nfs/dbraw/zinc/33/28/68/592332868.db2.gz IDIOYXDKPJRLDD-OLZOCXBDSA-N 1 0 243.354 3.438 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)c2ncc[nH]2)c(C)c1 ZINC000138998289 592332952 /nfs/dbraw/zinc/33/29/52/592332952.db2.gz IDIOYXDKPJRLDD-STQMWFEESA-N 1 0 243.354 3.438 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)c2ncc[nH]2)c(C)c1 ZINC000138998412 592332490 /nfs/dbraw/zinc/33/24/90/592332490.db2.gz IDIOYXDKPJRLDD-CHWSQXEVSA-N 1 0 243.354 3.438 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)c2ncc[nH]2)c(C)c1 ZINC000138998512 592332217 /nfs/dbraw/zinc/33/22/17/592332217.db2.gz IDIOYXDKPJRLDD-QWHCGFSZSA-N 1 0 243.354 3.438 10 0 BGAERO c1ccc(COCCC[C@H]2CCCC[NH2+]2)cc1 ZINC000139044742 361475847 /nfs/dbraw/zinc/47/58/47/361475847.db2.gz WLFSADFEQMXZAX-OAHLLOKOSA-N 1 0 233.355 3.126 10 0 BGAERO F[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000139076005 361560861 /nfs/dbraw/zinc/56/08/61/361560861.db2.gz QODFWFUCJLDIPV-ZDUSSCGKSA-N 1 0 207.292 3.011 10 0 BGAERO F[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000139076132 361561110 /nfs/dbraw/zinc/56/11/10/361561110.db2.gz QODFWFUCJLDIPV-CYBMUJFWSA-N 1 0 207.292 3.011 10 0 BGAERO c1ccc(-[n+]2ccc3ccccc3c2)cc1 ZINC000139451837 343536547 /nfs/dbraw/zinc/53/65/47/343536547.db2.gz KRGUESMZMKNYRU-UHFFFAOYSA-N 1 0 206.268 3.117 10 0 BGAERO CC1(C)C[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2O1 ZINC000139535698 344373465 /nfs/dbraw/zinc/37/34/65/344373465.db2.gz JKWPHVIKCHCXTG-SECBINFHSA-N 1 0 245.244 3.266 10 0 BGAERO Fc1ccccc1-c1cc2c[nH]ccc-2n1 ZINC000139650210 344428260 /nfs/dbraw/zinc/42/82/60/344428260.db2.gz IVNDZQUPTRQAGO-UHFFFAOYSA-N 1 0 212.227 3.369 10 0 BGAERO [NH3+][C@@H]1CC2(CCCCC2)Oc2cc(F)ccc21 ZINC000139819693 345803383 /nfs/dbraw/zinc/80/33/83/345803383.db2.gz ZSRJSPYRZZDKKJ-GFCCVEGCSA-N 1 0 235.302 3.311 10 0 BGAERO [NH3+][C@H]1CC2(CCCCC2)Oc2cc(F)ccc21 ZINC000139819820 345803371 /nfs/dbraw/zinc/80/33/71/345803371.db2.gz ZSRJSPYRZZDKKJ-LBPRGKRZSA-N 1 0 235.302 3.311 10 0 BGAERO CC[NH2+][C@H]1[C@H]2CC[C@H](C2)[C@H]1c1ccccc1 ZINC000139937176 368346991 /nfs/dbraw/zinc/34/69/91/368346991.db2.gz IKFBPFGUINLYQI-BARDWOONSA-N 1 0 215.340 3.178 10 0 BGAERO F[C@]1(c2cccc(Cl)c2Cl)CC[NH2+]C1 ZINC000140040647 342873432 /nfs/dbraw/zinc/87/34/32/342873432.db2.gz NTWCYYWMDLXCNS-SNVBAGLBSA-N 1 0 234.101 3.152 10 0 BGAERO F[C@@]1(c2cccc(Cl)c2Cl)CC[NH2+]C1 ZINC000140040764 372395609 /nfs/dbraw/zinc/39/56/09/372395609.db2.gz NTWCYYWMDLXCNS-JTQLQIEISA-N 1 0 234.101 3.152 10 0 BGAERO c1ccc2c(c1)Cc1cccc3c1[C@H](C[NH+]=C3)C2 ZINC000140219639 345853586 /nfs/dbraw/zinc/85/35/86/345853586.db2.gz LQESTRLCKVKPIT-INIZCTEOSA-N 1 0 233.314 3.350 10 0 BGAERO c1ccc2c(c1)Cc1cccc3c1[C@@H](C[NH+]=C3)C2 ZINC000140219777 345853596 /nfs/dbraw/zinc/85/35/96/345853596.db2.gz LQESTRLCKVKPIT-MRXNPFEDSA-N 1 0 233.314 3.350 10 0 BGAERO Cc1cc(Br)ccc1-c1ncc[nH]1 ZINC000140421861 372654499 /nfs/dbraw/zinc/65/44/99/372654499.db2.gz PVCFIBQDVJYTMD-UHFFFAOYSA-N 1 0 237.100 3.148 10 0 BGAERO Clc1ccc2c(c1)CN1CCCCC1=[NH+]2 ZINC000140467925 345855808 /nfs/dbraw/zinc/85/58/08/345855808.db2.gz IQMRYTOBOKQSAA-UHFFFAOYSA-N 1 0 220.703 3.370 10 0 BGAERO CCCCC[C@H]([NH3+])c1cccc(OC)c1OC ZINC000140864210 372812910 /nfs/dbraw/zinc/81/29/10/372812910.db2.gz ZXTREPYYOOGTTG-LBPRGKRZSA-N 1 0 237.343 3.284 10 0 BGAERO CCCCC[C@@H]([NH3+])c1cccc(OC)c1OC ZINC000140864384 372812804 /nfs/dbraw/zinc/81/28/04/372812804.db2.gz ZXTREPYYOOGTTG-GFCCVEGCSA-N 1 0 237.343 3.284 10 0 BGAERO CCCCC[C@H]([NH3+])c1cccc2c1OCCO2 ZINC000140866652 372813014 /nfs/dbraw/zinc/81/30/14/372813014.db2.gz VYOHJXFYYHIBON-LBPRGKRZSA-N 1 0 235.327 3.038 10 0 BGAERO CCCCC[C@@H]([NH3+])c1cccc2c1OCCO2 ZINC000140866843 343563986 /nfs/dbraw/zinc/56/39/86/343563986.db2.gz VYOHJXFYYHIBON-GFCCVEGCSA-N 1 0 235.327 3.038 10 0 BGAERO CC([NH3+])(c1cccs1)c1cccs1 ZINC000141332291 343735319 /nfs/dbraw/zinc/73/53/19/343735319.db2.gz UUOTWUKHOAWEFQ-UHFFFAOYSA-N 1 0 209.339 3.032 10 0 BGAERO CNc1ccc(Cl)cc1[C@H]([NH3+])c1ccccc1 ZINC000141392561 345860123 /nfs/dbraw/zinc/86/01/23/345860123.db2.gz HQMWRXORWPOELC-CQSZACIVSA-N 1 0 246.741 3.430 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](c2ccc(F)cc2)C1 ZINC000141430166 343094579 /nfs/dbraw/zinc/09/45/79/343094579.db2.gz HAAMCHCCLTUDKE-ZDUSSCGKSA-N 1 0 221.319 3.414 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H](c2ccc(F)cc2)C1 ZINC000141430389 343094742 /nfs/dbraw/zinc/09/47/42/343094742.db2.gz HAAMCHCCLTUDKE-CYBMUJFWSA-N 1 0 221.319 3.414 10 0 BGAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1ccccn1 ZINC000141433575 372951913 /nfs/dbraw/zinc/95/19/13/372951913.db2.gz DKABLZYRVNLULT-CQSZACIVSA-N 1 0 218.344 3.407 10 0 BGAERO CC(C)[N@@H+]1CCCCC[C@H]1c1ccccn1 ZINC000141433774 372951644 /nfs/dbraw/zinc/95/16/44/372951644.db2.gz DKABLZYRVNLULT-AWEZNQCLSA-N 1 0 218.344 3.407 10 0 BGAERO CC1(C)Cc2ccc(Br)cc2[C@@H]1[NH3+] ZINC000141644157 345849353 /nfs/dbraw/zinc/84/93/53/345849353.db2.gz DJLYGKSAQUKOAN-JTQLQIEISA-N 1 0 240.144 3.031 10 0 BGAERO CC1(C)Cc2ccc(Br)cc2[C@H]1[NH3+] ZINC000141644351 368392953 /nfs/dbraw/zinc/39/29/53/368392953.db2.gz DJLYGKSAQUKOAN-SNVBAGLBSA-N 1 0 240.144 3.031 10 0 BGAERO Nc1ccc2cc(C[NH+]3CCCC3)ccc2c1 ZINC000141793559 343100806 /nfs/dbraw/zinc/10/08/06/343100806.db2.gz XDACWJTYIVEDBG-UHFFFAOYSA-N 1 0 226.323 3.018 10 0 BGAERO C[NH+]1CCC(c2ccc3cnccc3c2)CC1 ZINC000141887507 373060544 /nfs/dbraw/zinc/06/05/44/373060544.db2.gz AILSBCPSXJYXHL-UHFFFAOYSA-N 1 0 226.323 3.044 10 0 BGAERO C[NH+]1CCC(c2ccc3ncccc3c2)CC1 ZINC000141887694 343101226 /nfs/dbraw/zinc/10/12/26/343101226.db2.gz LQSMEEZOSKHPGU-UHFFFAOYSA-N 1 0 226.323 3.044 10 0 BGAERO CCCCNc1cc[nH+]c2cc3c(cc12)OCO3 ZINC000141953650 343103089 /nfs/dbraw/zinc/10/30/89/343103089.db2.gz DJGUCVFYZJALCY-UHFFFAOYSA-N 1 0 244.294 3.176 10 0 BGAERO c1cc(-c2ccc3c(c2)CC[NH2+]C3)cs1 ZINC000142021737 583607996 /nfs/dbraw/zinc/60/79/96/583607996.db2.gz HGPGWVXWUMOBJL-UHFFFAOYSA-N 1 0 215.321 3.061 10 0 BGAERO CC[C@H]1C[NH+](Cc2ccccc2)C[C@H](CC)C1=O ZINC000142131094 388412603 /nfs/dbraw/zinc/41/26/03/388412603.db2.gz WSXGIMFEHBFHAY-GJZGRUSLSA-N 1 0 245.366 3.124 10 0 BGAERO N#Cc1ccc([C@H]2CC[C@H]([NH2+]C3CC3)CC2)cc1 ZINC000142296307 345867514 /nfs/dbraw/zinc/86/75/14/345867514.db2.gz UMJSIIRLNZDYIK-GASCZTMLSA-N 1 0 240.350 3.336 10 0 BGAERO c1ccc(-c2cc3c(c[nH+]2)CCCN3)cc1 ZINC000142419377 183379757 /nfs/dbraw/zinc/37/97/57/183379757.db2.gz MNYTXPMTUPNOIJ-UHFFFAOYSA-N 1 0 210.280 3.107 10 0 BGAERO C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000142688271 373832734 /nfs/dbraw/zinc/83/27/34/373832734.db2.gz ARSZPFBIARSABN-NSHDSACASA-N 1 0 207.292 3.025 10 0 BGAERO C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000142688477 373832184 /nfs/dbraw/zinc/83/21/84/373832184.db2.gz ARSZPFBIARSABN-LLVKDONJSA-N 1 0 207.292 3.025 10 0 BGAERO C[C@H]1C[NH2+]CC[C@H]1c1cccc2occc21 ZINC000142694572 177284767 /nfs/dbraw/zinc/28/47/67/177284767.db2.gz MKGKLUUENFQFPS-WDEREUQCSA-N 1 0 215.296 3.146 10 0 BGAERO COc1ccc([C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000142909161 345864844 /nfs/dbraw/zinc/86/48/44/345864844.db2.gz UBGKKURYRGISAW-JKSUJKDBSA-N 1 0 239.318 3.035 10 0 BGAERO CSC(=[NH2+])Nc1cccc(C(F)(F)F)c1 ZINC000142974467 345881727 /nfs/dbraw/zinc/88/17/27/345881727.db2.gz OUOYTGARNCFYLW-UHFFFAOYSA-N 1 0 234.246 3.415 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000143013491 374125300 /nfs/dbraw/zinc/12/53/00/374125300.db2.gz DUVDBXKRMNNIAM-QMMMGPOBSA-N 1 0 209.255 3.059 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000143013716 374125117 /nfs/dbraw/zinc/12/51/17/374125117.db2.gz DUVDBXKRMNNIAM-MRVPVSSYSA-N 1 0 209.255 3.059 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000143032716 343116044 /nfs/dbraw/zinc/11/60/44/343116044.db2.gz PBRLWMOBZJPLKY-LBPRGKRZSA-N 1 0 207.292 3.025 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000143032942 343115994 /nfs/dbraw/zinc/11/59/94/343115994.db2.gz PBRLWMOBZJPLKY-GFCCVEGCSA-N 1 0 207.292 3.025 10 0 BGAERO C[NH+](C)Cc1ccc(Cl)c(Br)c1 ZINC000143095134 343197612 /nfs/dbraw/zinc/19/76/12/343197612.db2.gz GIPOXXVMEJIYAG-UHFFFAOYSA-N 1 0 248.551 3.164 10 0 BGAERO CC[C@@H]1CC(=O)C[C@H](CC)[N@H+]1Cc1ccccc1 ZINC000143176552 345865653 /nfs/dbraw/zinc/86/56/53/345865653.db2.gz QBPGVHATKOIEEJ-GASCZTMLSA-N 1 0 245.366 3.409 10 0 BGAERO [NH3+]CCNc1cc(Cl)c(Cl)cc1Cl ZINC000143351680 374169757 /nfs/dbraw/zinc/16/97/57/374169757.db2.gz WXDHAHLMKMIXAY-UHFFFAOYSA-N 1 0 239.533 3.017 10 0 BGAERO Clc1nccc2cc(C[NH2+]C3CCCC3)[nH]c21 ZINC000143433649 384733674 /nfs/dbraw/zinc/73/36/74/384733674.db2.gz GVXCXCXNTZRIDB-UHFFFAOYSA-N 1 0 249.745 3.249 10 0 BGAERO COc1ccc2c(c1)C=C([NH+]1CCCC1)CC2 ZINC000143510261 345902783 /nfs/dbraw/zinc/90/27/83/345902783.db2.gz SEWHZBOYDAGRPJ-UHFFFAOYSA-N 1 0 229.323 3.078 10 0 BGAERO CC(C)c1cc[n+](Cc2ccccc2)cc1 ZINC000143719344 345866944 /nfs/dbraw/zinc/86/69/44/345866944.db2.gz ULPBCZFSWRRBMI-UHFFFAOYSA-N 1 0 212.316 3.146 10 0 BGAERO C[C@@H]([NH3+])c1cnc2ccccc2c1-c1ccccn1 ZINC000143722110 368349185 /nfs/dbraw/zinc/34/91/85/368349185.db2.gz RAYCPDNBHPPSLL-LLVKDONJSA-N 1 0 249.317 3.317 10 0 BGAERO C[C@H]([NH3+])c1cnc2ccccc2c1-c1ccccn1 ZINC000143722325 368349231 /nfs/dbraw/zinc/34/92/31/368349231.db2.gz RAYCPDNBHPPSLL-NSHDSACASA-N 1 0 249.317 3.317 10 0 BGAERO C[NH+]1CCC(c2ccc3ccccc3n2)CC1 ZINC000143742055 361948034 /nfs/dbraw/zinc/94/80/34/361948034.db2.gz VSMNIVAAHJYODY-UHFFFAOYSA-N 1 0 226.323 3.044 10 0 BGAERO c1ccc2c(c1)[nH]c1c3c(c4c(c21)C[NH2+]C4)CCC3 ZINC000143791755 345866778 /nfs/dbraw/zinc/86/67/78/345866778.db2.gz CXELWAVOHRNHOV-UHFFFAOYSA-N 1 0 248.329 3.413 10 0 BGAERO CCCCCCNc1ccc(N)cc1OC ZINC000143970706 342691196 /nfs/dbraw/zinc/69/11/96/342691196.db2.gz ISNZCRNNFRYJNY-UHFFFAOYSA-N 1 0 222.332 3.270 10 0 BGAERO CCCC[N@H+](C)Cc1cc(C)cc(C(=O)OC)c1 ZINC000144268947 342727531 /nfs/dbraw/zinc/72/75/31/342727531.db2.gz RAWBMDQMKJSTJO-UHFFFAOYSA-N 1 0 249.354 3.014 10 0 BGAERO O=C1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000144274172 356475396 /nfs/dbraw/zinc/47/53/96/356475396.db2.gz QVECBZOKTHPXPR-GDBMZVCRSA-N 1 0 243.350 3.020 10 0 BGAERO FC1(F)CC(c2nc3ccccc3[nH]2)C1 ZINC000144275759 360527627 /nfs/dbraw/zinc/52/76/27/360527627.db2.gz MCXRFRMWZBEFGY-UHFFFAOYSA-N 1 0 208.211 3.076 10 0 BGAERO CC(C)(C)[NH+]1CCC(C(F)(F)F)CC1 ZINC000144687554 342924025 /nfs/dbraw/zinc/92/40/25/342924025.db2.gz JYLFLDWMPMDMCA-UHFFFAOYSA-N 1 0 209.255 3.059 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccncc1 ZINC000144848535 343139893 /nfs/dbraw/zinc/13/98/93/343139893.db2.gz PTGQBMUGWZOYLQ-GFCCVEGCSA-N 1 0 204.317 3.017 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccncc1 ZINC000144848749 343140004 /nfs/dbraw/zinc/14/00/04/343140004.db2.gz PTGQBMUGWZOYLQ-LBPRGKRZSA-N 1 0 204.317 3.017 10 0 BGAERO CC(C)(C)[NH+]1CCC(c2cccnc2)CC1 ZINC000144851908 343016963 /nfs/dbraw/zinc/01/69/63/343016963.db2.gz FKQCARHWKRCAFT-UHFFFAOYSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cccnc2)C1 ZINC000144854253 343016968 /nfs/dbraw/zinc/01/69/68/343016968.db2.gz NWPFWCUQXULJJS-ZDUSSCGKSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cccnc2)C1 ZINC000144854460 343017020 /nfs/dbraw/zinc/01/70/20/343017020.db2.gz NWPFWCUQXULJJS-CYBMUJFWSA-N 1 0 218.344 3.060 10 0 BGAERO C[C@H](c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000144911845 384528586 /nfs/dbraw/zinc/52/85/86/384528586.db2.gz RKDDOYQIFQKRSL-SSDOTTSWSA-N 1 0 201.672 3.102 10 0 BGAERO c1ccc(C[NH+]2C3CC4CC2CC4C3)cc1 ZINC000144958534 356481208 /nfs/dbraw/zinc/48/12/08/356481208.db2.gz XHWQJTDLDZWLAN-UHFFFAOYSA-N 1 0 213.324 3.059 10 0 BGAERO Nc1ccc2c(c1)CCC(C[NH+]1CCCCC1)=C2 ZINC000145055388 342758372 /nfs/dbraw/zinc/75/83/72/342758372.db2.gz KRPWZRDMUUEQES-UHFFFAOYSA-N 1 0 242.366 3.084 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1c1ccc(Cl)cc1 ZINC000145187268 343261616 /nfs/dbraw/zinc/26/16/16/343261616.db2.gz HPWVULXMORCLSH-GFCCVEGCSA-N 1 0 209.720 3.497 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1ccc(Cl)cc1 ZINC000145187476 343261685 /nfs/dbraw/zinc/26/16/85/343261685.db2.gz HPWVULXMORCLSH-LBPRGKRZSA-N 1 0 209.720 3.497 10 0 BGAERO CCCCc1ccc(COCC[NH+](C)C)cc1 ZINC000145242702 342760690 /nfs/dbraw/zinc/76/06/90/342760690.db2.gz NRYFIOILDGBYPV-UHFFFAOYSA-N 1 0 235.371 3.107 10 0 BGAERO [NH3+]C1(Cc2cccc(Cl)c2Cl)CC1 ZINC000145599092 345157914 /nfs/dbraw/zinc/15/79/14/345157914.db2.gz VJOYPTBIYWGNDL-UHFFFAOYSA-N 1 0 216.111 3.027 10 0 BGAERO CC(C)(C)[NH+]1CCC(c2ccccc2N)CC1 ZINC000146040199 345036442 /nfs/dbraw/zinc/03/64/42/345036442.db2.gz PPSVIKQFGJHQNB-UHFFFAOYSA-N 1 0 232.371 3.247 10 0 BGAERO Cc1cc(-c2ccc3c(c2)C[NH2+]C3)cs1 ZINC000146069400 342766030 /nfs/dbraw/zinc/76/60/30/342766030.db2.gz YHGVZWOYDUCTDZ-UHFFFAOYSA-N 1 0 215.321 3.327 10 0 BGAERO c1ccc([C@@H]2CCC[C@H]3CCC[NH2+][C@@H]32)cc1 ZINC000146129747 344404988 /nfs/dbraw/zinc/40/49/88/344404988.db2.gz OVHLDKBTPJFQGE-KKUMJFAQSA-N 1 0 215.340 3.322 10 0 BGAERO c1ccc([C@@H]2CCC[C@@H]3CCC[NH2+][C@@H]32)cc1 ZINC000146129951 344405998 /nfs/dbraw/zinc/40/59/98/344405998.db2.gz OVHLDKBTPJFQGE-ILXRZTDVSA-N 1 0 215.340 3.322 10 0 BGAERO c1ccc([C@@H]2CCC[C@H]3CCC[NH2+][C@H]32)cc1 ZINC000146130140 342766398 /nfs/dbraw/zinc/76/63/98/342766398.db2.gz OVHLDKBTPJFQGE-SOUVJXGZSA-N 1 0 215.340 3.322 10 0 BGAERO c1ccc([C@@H]2CCC[C@@H]3CCC[NH2+][C@H]32)cc1 ZINC000146130338 342766320 /nfs/dbraw/zinc/76/63/20/342766320.db2.gz OVHLDKBTPJFQGE-QLFBSQMISA-N 1 0 215.340 3.322 10 0 BGAERO C[N@@H+]1CCC[C@@H](Cn2ccc3cc(F)ccc32)C1 ZINC000146370139 188156513 /nfs/dbraw/zinc/15/65/13/188156513.db2.gz USQGAJXJBNSUJF-GFCCVEGCSA-N 1 0 246.329 3.122 10 0 BGAERO C[N@@H+]1CCC[C@H](Cn2ccc3cc(F)ccc32)C1 ZINC000146370357 173041526 /nfs/dbraw/zinc/04/15/26/173041526.db2.gz USQGAJXJBNSUJF-LBPRGKRZSA-N 1 0 246.329 3.122 10 0 BGAERO Nc1cc(-c2cccc3ccccc32)cc(N)[nH+]1 ZINC000146629341 384132355 /nfs/dbraw/zinc/13/23/55/384132355.db2.gz SPGMBQOIYYZVNI-UHFFFAOYSA-N 1 0 235.290 3.066 10 0 BGAERO CNc1ccccc1CC[C@@H]1CCCC[N@@H+]1C ZINC000147195179 346005868 /nfs/dbraw/zinc/00/58/68/346005868.db2.gz NZEFGTBWJPXRQC-AWEZNQCLSA-N 1 0 232.371 3.145 10 0 BGAERO CNc1ccccc1CC[C@H]1CCCC[N@@H+]1C ZINC000147195381 342774066 /nfs/dbraw/zinc/77/40/66/342774066.db2.gz NZEFGTBWJPXRQC-CQSZACIVSA-N 1 0 232.371 3.145 10 0 BGAERO CC(C)c1cc(C[NH3+])cc(C(C)C)c1O ZINC000147225156 487980977 /nfs/dbraw/zinc/98/09/77/487980977.db2.gz LHELKDNYBCLXIT-UHFFFAOYSA-N 1 0 207.317 3.098 10 0 BGAERO CC(C)(c1cccc(C2([NH3+])CC2)c1)C(F)F ZINC000147371706 342775220 /nfs/dbraw/zinc/77/52/20/342775220.db2.gz ZTSGSVKMSGIDPA-UHFFFAOYSA-N 1 0 225.282 3.177 10 0 BGAERO [NH3+]Cc1ccc(C2(c3ccccc3)CC2)cc1 ZINC000147374130 342775260 /nfs/dbraw/zinc/77/52/60/342775260.db2.gz XMYGVCHLIRYGMC-UHFFFAOYSA-N 1 0 223.319 3.225 10 0 BGAERO CC(C)(F)[C@@H](F)c1cccc(C2([NH3+])CC2)c1 ZINC000147392052 342775505 /nfs/dbraw/zinc/77/55/05/342775505.db2.gz LHDCBBUZBXMAAT-NSHDSACASA-N 1 0 225.282 3.393 10 0 BGAERO CC(C)(F)[C@H](F)c1cccc(C2([NH3+])CC2)c1 ZINC000147392264 342775498 /nfs/dbraw/zinc/77/54/98/342775498.db2.gz LHDCBBUZBXMAAT-LLVKDONJSA-N 1 0 225.282 3.393 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CC(F)F)CC(C)(C)C1 ZINC000147415088 384451903 /nfs/dbraw/zinc/45/19/03/384451903.db2.gz BTBZVQKKYWUYAY-BDAKNGLRSA-N 1 0 205.292 3.056 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CC(F)F)CC(C)(C)C1 ZINC000147415353 177368998 /nfs/dbraw/zinc/36/89/98/177368998.db2.gz BTBZVQKKYWUYAY-IUCAKERBSA-N 1 0 205.292 3.056 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CC(F)F)CC(C)(C)C1 ZINC000147415566 176374711 /nfs/dbraw/zinc/37/47/11/176374711.db2.gz BTBZVQKKYWUYAY-RKDXNWHRSA-N 1 0 205.292 3.056 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CC(F)F)CC(C)(C)C1 ZINC000147415771 177331511 /nfs/dbraw/zinc/33/15/11/177331511.db2.gz BTBZVQKKYWUYAY-DTWKUNHWSA-N 1 0 205.292 3.056 10 0 BGAERO COC(=O)CCCCCCCCCCCC[NH3+] ZINC000147552902 342777836 /nfs/dbraw/zinc/77/78/36/342777836.db2.gz OWJXXPYNGCOYST-UHFFFAOYSA-N 1 0 243.391 3.409 10 0 BGAERO C[NH+](C)Cc1ccccc1-c1ccc(N)c(F)c1 ZINC000147646339 342778277 /nfs/dbraw/zinc/77/82/77/342778277.db2.gz NLHSDJRWFGLKTG-UHFFFAOYSA-N 1 0 244.313 3.137 10 0 BGAERO COc1ccc(C[C@H]2[NH2+]CCCC2=C(C)C)cc1 ZINC000148102034 342788018 /nfs/dbraw/zinc/78/80/18/342788018.db2.gz UIOGYLLVJBLENG-MRXNPFEDSA-N 1 0 245.366 3.326 10 0 BGAERO COc1ccc(C[C@@H]2[NH2+]CCCC2=C(C)C)cc1 ZINC000148102280 343389862 /nfs/dbraw/zinc/38/98/62/343389862.db2.gz UIOGYLLVJBLENG-INIZCTEOSA-N 1 0 245.366 3.326 10 0 BGAERO C[NH2+]CCCc1cnc(Cl)c2ccccc12 ZINC000148106663 342788316 /nfs/dbraw/zinc/78/83/16/342788316.db2.gz FRYGDBUIOUBMEZ-UHFFFAOYSA-N 1 0 234.730 3.040 10 0 BGAERO Nc1c(Cl)cc(C[NH+]2CCCC2)cc1Cl ZINC000148114988 345258182 /nfs/dbraw/zinc/25/81/82/345258182.db2.gz PNTAKCZZUIFKDY-UHFFFAOYSA-N 1 0 245.153 3.171 10 0 BGAERO C[N@@H+]1CCC[C@@H]2[C@H]1Cc1ccccc1C2(C)C ZINC000148154907 343389461 /nfs/dbraw/zinc/38/94/61/343389461.db2.gz MULWARCELGKIRF-HUUCEWRRSA-N 1 0 229.367 3.231 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1cccnc1 ZINC000148164572 345288419 /nfs/dbraw/zinc/28/84/19/345288419.db2.gz WTPURAICUCBZLZ-GFCCVEGCSA-N 1 0 204.317 3.017 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1cccnc1 ZINC000148164785 345288016 /nfs/dbraw/zinc/28/80/16/345288016.db2.gz WTPURAICUCBZLZ-LBPRGKRZSA-N 1 0 204.317 3.017 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000148457998 179339051 /nfs/dbraw/zinc/33/90/51/179339051.db2.gz SZAFMUZBITZMKA-QLFBSQMISA-N 1 0 246.398 3.176 10 0 BGAERO Fc1sc2ccccc2c1[C@H]1C=CNC=[NH+]1 ZINC000148479313 342791459 /nfs/dbraw/zinc/79/14/59/342791459.db2.gz XPAGDCIVZBFOPE-SECBINFHSA-N 1 0 232.283 3.227 10 0 BGAERO Fc1sc2ccccc2c1[C@@H]1C=CNC=[NH+]1 ZINC000148479537 342791355 /nfs/dbraw/zinc/79/13/55/342791355.db2.gz XPAGDCIVZBFOPE-VIFPVBQESA-N 1 0 232.283 3.227 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000148490905 322924896 /nfs/dbraw/zinc/92/48/96/322924896.db2.gz AVPAWBVUXOYICT-FVQBIDKESA-N 1 0 247.382 3.339 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000148507456 343580532 /nfs/dbraw/zinc/58/05/32/343580532.db2.gz AVPAWBVUXOYICT-NUEKZKHPSA-N 1 0 247.382 3.339 10 0 BGAERO c1ccc(Oc2ccc3c(c2)CC[NH2+]CC3)cc1 ZINC000148543736 342791707 /nfs/dbraw/zinc/79/17/07/342791707.db2.gz PYIOGNZXYDTIII-UHFFFAOYSA-N 1 0 239.318 3.167 10 0 BGAERO CC(C)(C)Cc1ccc2c(c1)[C@@H]([NH3+])CCO2 ZINC000148645480 342791693 /nfs/dbraw/zinc/79/16/93/342791693.db2.gz ZEYQVHGNQZUPQV-LBPRGKRZSA-N 1 0 219.328 3.058 10 0 BGAERO CC(C)(C)Cc1ccc2c(c1)[C@H]([NH3+])CCO2 ZINC000148645729 342791733 /nfs/dbraw/zinc/79/17/33/342791733.db2.gz ZEYQVHGNQZUPQV-GFCCVEGCSA-N 1 0 219.328 3.058 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ccon1 ZINC000148732275 352269734 /nfs/dbraw/zinc/26/97/34/352269734.db2.gz BWHNMTMUQZIJCD-KWCYVHTRSA-N 1 0 236.359 3.225 10 0 BGAERO CC[C@@H]1CC(=O)C[C@@H](CC)[NH+]1Cc1ccccc1 ZINC000148733725 342792639 /nfs/dbraw/zinc/79/26/39/342792639.db2.gz QBPGVHATKOIEEJ-HUUCEWRRSA-N 1 0 245.366 3.409 10 0 BGAERO CC[C@H]1CC(=O)C[C@H](CC)[NH+]1Cc1ccccc1 ZINC000148733939 343395504 /nfs/dbraw/zinc/39/55/04/343395504.db2.gz QBPGVHATKOIEEJ-GJZGRUSLSA-N 1 0 245.366 3.409 10 0 BGAERO COc1cccc([C@@H]2CCCCC[N@@H+]2C)c1 ZINC000148848733 346466210 /nfs/dbraw/zinc/46/62/10/346466210.db2.gz JJYZLQNSHQNPCA-AWEZNQCLSA-N 1 0 219.328 3.242 10 0 BGAERO COc1cccc([C@H]2CCCCC[N@@H+]2C)c1 ZINC000148848950 346465925 /nfs/dbraw/zinc/46/59/25/346465925.db2.gz JJYZLQNSHQNPCA-CQSZACIVSA-N 1 0 219.328 3.242 10 0 BGAERO CCC(CC)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000148961088 387648555 /nfs/dbraw/zinc/64/85/55/387648555.db2.gz WKDLHATWQBZTDR-HUUCEWRRSA-N 1 0 239.403 3.050 10 0 BGAERO CCC(CC)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000148961258 387649361 /nfs/dbraw/zinc/64/93/61/387649361.db2.gz WKDLHATWQBZTDR-CABCVRRESA-N 1 0 239.403 3.050 10 0 BGAERO Cc1cc(N)c2ccc(C)c(Cl)c2[nH+]1 ZINC000149050947 346535491 /nfs/dbraw/zinc/53/54/91/346535491.db2.gz RZNBIACXDBHGFF-UHFFFAOYSA-N 1 0 206.676 3.087 10 0 BGAERO C#CC[NH+]1CCC(Cc2ccc(Cl)cc2)CC1 ZINC000149385853 342793428 /nfs/dbraw/zinc/79/34/28/342793428.db2.gz ZCXIHVYIRDNTOL-UHFFFAOYSA-N 1 0 247.769 3.228 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)C1CCCCC1 ZINC000149447299 322864287 /nfs/dbraw/zinc/86/42/87/322864287.db2.gz OWVZGUXIRRDCCY-NWANDNLSSA-N 1 0 239.403 3.238 10 0 BGAERO c1cc2c(s1)[C@H](Cc1ccccc1)[NH2+]CC2 ZINC000149449741 342793882 /nfs/dbraw/zinc/79/38/82/342793882.db2.gz JWYYIVMIVFKTRJ-ZDUSSCGKSA-N 1 0 229.348 3.178 10 0 BGAERO c1cc2c(s1)[C@@H](Cc1ccccc1)[NH2+]CC2 ZINC000149449942 342793841 /nfs/dbraw/zinc/79/38/41/342793841.db2.gz JWYYIVMIVFKTRJ-CYBMUJFWSA-N 1 0 229.348 3.178 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)C1CCCCC1 ZINC000149462318 322953457 /nfs/dbraw/zinc/95/34/57/322953457.db2.gz OWVZGUXIRRDCCY-BPLDGKMQSA-N 1 0 239.403 3.238 10 0 BGAERO CC(C)CCC[NH2+][C@@H]1COc2ccccc21 ZINC000149480247 384480578 /nfs/dbraw/zinc/48/05/78/384480578.db2.gz RQLFDEOEVUPTGU-CYBMUJFWSA-N 1 0 219.328 3.146 10 0 BGAERO CC(C)CCC[NH2+][C@H]1COc2ccccc21 ZINC000149480457 384480805 /nfs/dbraw/zinc/48/08/05/384480805.db2.gz RQLFDEOEVUPTGU-ZDUSSCGKSA-N 1 0 219.328 3.146 10 0 BGAERO Cc1[nH+]c(C2CCC2)c(N)n1Cc1ccccc1 ZINC000149642686 347399644 /nfs/dbraw/zinc/39/96/44/347399644.db2.gz ICCDAIKKGCFCJR-UHFFFAOYSA-N 1 0 241.338 3.090 10 0 BGAERO Cc1cc(C)n(CCCCCCCC[NH3+])c1 ZINC000149801931 342794896 /nfs/dbraw/zinc/79/48/96/342794896.db2.gz PFJISVPYURITJV-UHFFFAOYSA-N 1 0 222.376 3.404 10 0 BGAERO [NH3+]C[C@H]1Nc2ccccc2C=Cc2ccccc21 ZINC000149802619 342794819 /nfs/dbraw/zinc/79/48/19/342794819.db2.gz MQRWJMBGMKZVCE-MRXNPFEDSA-N 1 0 236.318 3.282 10 0 BGAERO [NH3+]C[C@@H]1Nc2ccccc2C=Cc2ccccc21 ZINC000149802817 342794901 /nfs/dbraw/zinc/79/49/01/342794901.db2.gz MQRWJMBGMKZVCE-INIZCTEOSA-N 1 0 236.318 3.282 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CCCCCC1 ZINC000149884049 387677504 /nfs/dbraw/zinc/67/75/04/387677504.db2.gz PVAHGYSGHTUQTH-NWANDNLSSA-N 1 0 238.419 3.062 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CCCCCC1 ZINC000149884449 387678634 /nfs/dbraw/zinc/67/86/34/387678634.db2.gz PVAHGYSGHTUQTH-AEGPPILISA-N 1 0 238.419 3.062 10 0 BGAERO C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])C1CCCCCC1 ZINC000149884635 387677553 /nfs/dbraw/zinc/67/75/53/387677553.db2.gz PVAHGYSGHTUQTH-QEJZJMRPSA-N 1 0 238.419 3.062 10 0 BGAERO CC(C)C[C@@H]([C@@H](C)[NH3+])N1CCCc2ccccc21 ZINC000149912832 342794732 /nfs/dbraw/zinc/79/47/32/342794732.db2.gz BPKLPTXTLWHYJV-CJNGLKHVSA-N 1 0 246.398 3.201 10 0 BGAERO CC(C)C[C@H]([C@@H](C)[NH3+])N1CCCc2ccccc21 ZINC000149913021 342794478 /nfs/dbraw/zinc/79/44/78/342794478.db2.gz BPKLPTXTLWHYJV-CZUORRHYSA-N 1 0 246.398 3.201 10 0 BGAERO CC(C)C[C@@H]([C@H](C)[NH3+])N1CCCc2ccccc21 ZINC000149913186 342794711 /nfs/dbraw/zinc/79/47/11/342794711.db2.gz BPKLPTXTLWHYJV-BBRMVZONSA-N 1 0 246.398 3.201 10 0 BGAERO CC(C)C[C@H]([C@H](C)[NH3+])N1CCCc2ccccc21 ZINC000149913410 342794552 /nfs/dbraw/zinc/79/45/52/342794552.db2.gz BPKLPTXTLWHYJV-XJKSGUPXSA-N 1 0 246.398 3.201 10 0 BGAERO CCCO[C@@H](Cc1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000149928205 342794623 /nfs/dbraw/zinc/79/46/23/342794623.db2.gz SSZHYEALXKADKB-MFKMUULPSA-N 1 0 241.762 3.025 10 0 BGAERO CCCO[C@H](Cc1ccc(Cl)cc1)[C@@H](C)[NH3+] ZINC000149928412 342794612 /nfs/dbraw/zinc/79/46/12/342794612.db2.gz SSZHYEALXKADKB-ZWNOBZJWSA-N 1 0 241.762 3.025 10 0 BGAERO CCCO[C@@H](Cc1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000149928607 343461794 /nfs/dbraw/zinc/46/17/94/343461794.db2.gz SSZHYEALXKADKB-GWCFXTLKSA-N 1 0 241.762 3.025 10 0 BGAERO CCCO[C@H](Cc1ccc(Cl)cc1)[C@H](C)[NH3+] ZINC000149928785 343461895 /nfs/dbraw/zinc/46/18/95/343461895.db2.gz SSZHYEALXKADKB-GXFFZTMASA-N 1 0 241.762 3.025 10 0 BGAERO Cc1cc(N[C@@H]2CCO[C@@H]2C)c2ccccc2[nH+]1 ZINC000149953300 178182413 /nfs/dbraw/zinc/18/24/13/178182413.db2.gz GNDUBWMEOCPEHW-DGCLKSJQSA-N 1 0 242.322 3.133 10 0 BGAERO Cc1cc(N[C@H]2CCO[C@@H]2C)c2ccccc2[nH+]1 ZINC000149953440 178189749 /nfs/dbraw/zinc/18/97/49/178189749.db2.gz GNDUBWMEOCPEHW-YPMHNXCESA-N 1 0 242.322 3.133 10 0 BGAERO Cc1cc(N[C@@H]2CCO[C@H]2C)c2ccccc2[nH+]1 ZINC000149953647 178182821 /nfs/dbraw/zinc/18/28/21/178182821.db2.gz GNDUBWMEOCPEHW-WCQYABFASA-N 1 0 242.322 3.133 10 0 BGAERO Cc1cc(N[C@H]2CCO[C@H]2C)c2ccccc2[nH+]1 ZINC000149953830 178190198 /nfs/dbraw/zinc/19/01/98/178190198.db2.gz GNDUBWMEOCPEHW-AAEUAGOBSA-N 1 0 242.322 3.133 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)C1CCCCCC1 ZINC000150162202 538110755 /nfs/dbraw/zinc/11/07/55/538110755.db2.gz RPOCZHPXGOFQBU-CFVMTHIKSA-N 1 0 239.403 3.238 10 0 BGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1O)C1CCCCCC1 ZINC000150162895 537821063 /nfs/dbraw/zinc/82/10/63/537821063.db2.gz RPOCZHPXGOFQBU-AEGPPILISA-N 1 0 239.403 3.238 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccc(N)cc1 ZINC000150255644 344443796 /nfs/dbraw/zinc/44/37/96/344443796.db2.gz BHGSCILHKXEBHF-CYBMUJFWSA-N 1 0 218.344 3.204 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1ccc(N)cc1 ZINC000150255882 344443600 /nfs/dbraw/zinc/44/36/00/344443600.db2.gz BHGSCILHKXEBHF-ZDUSSCGKSA-N 1 0 218.344 3.204 10 0 BGAERO c1cc2cc([C@@H]3C[NH2+]Cc4ccccc43)ccc2[nH]1 ZINC000150288283 342799554 /nfs/dbraw/zinc/79/95/54/342799554.db2.gz UDGKJLIEUPSNTB-INIZCTEOSA-N 1 0 248.329 3.403 10 0 BGAERO c1cc2cc([C@H]3C[NH2+]Cc4ccccc43)ccc2[nH]1 ZINC000150288483 343482898 /nfs/dbraw/zinc/48/28/98/343482898.db2.gz UDGKJLIEUPSNTB-MRXNPFEDSA-N 1 0 248.329 3.403 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(CC)o1 ZINC000150890642 387780975 /nfs/dbraw/zinc/78/09/75/387780975.db2.gz PXSBTSSHFCIIDW-MFKMUULPSA-N 1 0 207.317 3.120 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(CC)o1 ZINC000150890675 387782044 /nfs/dbraw/zinc/78/20/44/387782044.db2.gz PXSBTSSHFCIIDW-GWCFXTLKSA-N 1 0 207.317 3.120 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(CC)o1 ZINC000150890725 192368125 /nfs/dbraw/zinc/36/81/25/192368125.db2.gz PXSBTSSHFCIIDW-ZWNOBZJWSA-N 1 0 207.317 3.120 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(CC)o1 ZINC000150890753 192368157 /nfs/dbraw/zinc/36/81/57/192368157.db2.gz PXSBTSSHFCIIDW-GXFFZTMASA-N 1 0 207.317 3.120 10 0 BGAERO C[C@@H](CSC(C)(C)C)[NH2+]Cc1ccccn1 ZINC000151060272 632768663 /nfs/dbraw/zinc/76/86/63/632768663.db2.gz BRAICSLIOQCIDI-NSHDSACASA-N 1 0 238.400 3.091 10 0 BGAERO C[C@H](CSC(C)(C)C)[NH2+]Cc1ccccn1 ZINC000151060321 640287636 /nfs/dbraw/zinc/28/76/36/640287636.db2.gz BRAICSLIOQCIDI-LLVKDONJSA-N 1 0 238.400 3.091 10 0 BGAERO COCCC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC000151825292 541443406 /nfs/dbraw/zinc/44/34/06/541443406.db2.gz JARZHLMYHLRWCR-UHFFFAOYSA-N 1 0 247.382 3.373 10 0 BGAERO COCCC1(C[NH2+]C2CCCCC2)CCC1 ZINC000151972921 538069605 /nfs/dbraw/zinc/06/96/05/538069605.db2.gz PKPFQYWWEVTMOR-UHFFFAOYSA-N 1 0 225.376 3.116 10 0 BGAERO CCCCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000152393570 641565553 /nfs/dbraw/zinc/56/55/53/641565553.db2.gz FYJYOPUJAPHHKN-HNNXBMFYSA-N 1 0 248.370 3.115 10 0 BGAERO CCCCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000152393652 641565431 /nfs/dbraw/zinc/56/54/31/641565431.db2.gz FYJYOPUJAPHHKN-OAHLLOKOSA-N 1 0 248.370 3.115 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000152902602 201214052 /nfs/dbraw/zinc/21/40/52/201214052.db2.gz KZQQRICEMBYMOI-XUXIUFHCSA-N 1 0 227.392 3.358 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)o1 ZINC000152945553 385226323 /nfs/dbraw/zinc/22/63/23/385226323.db2.gz KJGDQTGJJDDOQO-GVXVVHGQSA-N 1 0 237.343 3.060 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)o1 ZINC000152945780 385226141 /nfs/dbraw/zinc/22/61/41/385226141.db2.gz KJGDQTGJJDDOQO-MDZLAQPJSA-N 1 0 237.343 3.060 10 0 BGAERO Cc1cc(C)c(C[NH2+][C@H]2C[C@H]3CC[C@@H]2O3)cc1C ZINC000152969234 177861442 /nfs/dbraw/zinc/86/14/42/177861442.db2.gz BNUOKZJWJXJVJL-PMPSAXMXSA-N 1 0 245.366 3.021 10 0 BGAERO CCCC[C@@H](C)[NH2+]Cc1ccc(O)c(F)c1 ZINC000153431173 201236041 /nfs/dbraw/zinc/23/60/41/201236041.db2.gz HXGYTQZYCYURNR-SNVBAGLBSA-N 1 0 225.307 3.200 10 0 BGAERO CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000153715527 632823969 /nfs/dbraw/zinc/82/39/69/632823969.db2.gz JQWPKMYGSHRWRW-MJBXVCDLSA-N 1 0 227.392 3.096 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)c1ccccc1 ZINC000153737862 201246883 /nfs/dbraw/zinc/24/68/83/201246883.db2.gz MGTUSYCNYLOZQF-OWCLPIDISA-N 1 0 247.382 3.278 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)c1ccccc1 ZINC000153737990 201247314 /nfs/dbraw/zinc/24/73/14/201247314.db2.gz MGTUSYCNYLOZQF-PMPSAXMXSA-N 1 0 247.382 3.278 10 0 BGAERO CCC1CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000153738864 201248463 /nfs/dbraw/zinc/24/84/63/201248463.db2.gz NPYRCZMWQVIIGW-HXSCFSKGSA-N 1 0 239.403 3.096 10 0 BGAERO CCC1CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000153738959 201248889 /nfs/dbraw/zinc/24/88/89/201248889.db2.gz NPYRCZMWQVIIGW-JYVUQVBGSA-N 1 0 239.403 3.096 10 0 BGAERO CCC1CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000153739075 201248641 /nfs/dbraw/zinc/24/86/41/201248641.db2.gz NPYRCZMWQVIIGW-OOJKYFRXSA-N 1 0 239.403 3.096 10 0 BGAERO CCC1CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000153739178 201248036 /nfs/dbraw/zinc/24/80/36/201248036.db2.gz NPYRCZMWQVIIGW-SHWKFHJASA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000153746994 566272748 /nfs/dbraw/zinc/27/27/48/566272748.db2.gz FNYUPTSNLBVCOC-RRFJBIMHSA-N 1 0 239.403 3.262 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000153747176 537886384 /nfs/dbraw/zinc/88/63/84/537886384.db2.gz FNYUPTSNLBVCOC-ZNMIVQPWSA-N 1 0 239.403 3.262 10 0 BGAERO OC[C@H]1CCCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000153777431 641884351 /nfs/dbraw/zinc/88/43/51/641884351.db2.gz JIKVNLZMROPRDJ-UKRRQHHQSA-N 1 0 239.403 3.240 10 0 BGAERO OC[C@H]1CCCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000153777540 632823833 /nfs/dbraw/zinc/82/38/33/632823833.db2.gz JIKVNLZMROPRDJ-HIFRSBDPSA-N 1 0 239.403 3.240 10 0 BGAERO OC[C@@H]1CCCC[C@H]1[NH2+]C1CCCCCCC1 ZINC000153777633 632823959 /nfs/dbraw/zinc/82/39/59/632823959.db2.gz JIKVNLZMROPRDJ-DZGCQCFKSA-N 1 0 239.403 3.240 10 0 BGAERO OC[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCCCC1 ZINC000153777769 641884507 /nfs/dbraw/zinc/88/45/07/641884507.db2.gz JIKVNLZMROPRDJ-ZFWWWQNUSA-N 1 0 239.403 3.240 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2CO)C1 ZINC000153801909 201249899 /nfs/dbraw/zinc/24/98/99/201249899.db2.gz CXBKPGAIGQIJPA-APIJFGDWSA-N 1 0 239.403 3.096 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000153812949 201251254 /nfs/dbraw/zinc/25/12/54/201251254.db2.gz SNSGSBIWQZEOGS-HZSPNIEDSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000153813175 323053790 /nfs/dbraw/zinc/05/37/90/323053790.db2.gz SNSGSBIWQZEOGS-RDBSUJKOSA-N 1 0 227.392 3.096 10 0 BGAERO CC1(C)CCC([NH2+][C@@H]2CCCC[C@@H]2CO)CC1 ZINC000153816340 201250065 /nfs/dbraw/zinc/25/00/65/201250065.db2.gz YGLADTHKQXCVRF-TZMCWYRMSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCC([NH2+][C@H]2CCCC[C@@H]2CO)CC1 ZINC000153816458 191072888 /nfs/dbraw/zinc/07/28/88/191072888.db2.gz YGLADTHKQXCVRF-OCCSQVGLSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCC([NH2+][C@@H]2CCCC[C@H]2CO)CC1 ZINC000153816555 201250157 /nfs/dbraw/zinc/25/01/57/201250157.db2.gz YGLADTHKQXCVRF-GXTWGEPZSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCC([NH2+][C@H]2CCCC[C@H]2CO)CC1 ZINC000153816662 201249338 /nfs/dbraw/zinc/24/93/38/201249338.db2.gz YGLADTHKQXCVRF-JSGCOSHPSA-N 1 0 239.403 3.096 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)cc1 ZINC000153818455 201250940 /nfs/dbraw/zinc/25/09/40/201250940.db2.gz IMXQCJOSMVRTPH-NUEKZKHPSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)cc1 ZINC000153818693 201250391 /nfs/dbraw/zinc/25/03/91/201250391.db2.gz IMXQCJOSMVRTPH-IMJJTQAJSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2CO)c1 ZINC000153820717 191271333 /nfs/dbraw/zinc/27/13/33/191271333.db2.gz SZYLEJQVSAYRLN-NUEKZKHPSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2CO)c1 ZINC000153820948 201249092 /nfs/dbraw/zinc/24/90/92/201249092.db2.gz SZYLEJQVSAYRLN-IMJJTQAJSA-N 1 0 247.382 3.197 10 0 BGAERO CCC(CC)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000153911193 344999840 /nfs/dbraw/zinc/99/98/40/344999840.db2.gz ORZFAOWYCCQLRX-HNNXBMFYSA-N 1 0 249.402 3.265 10 0 BGAERO CCC(CC)C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000153911299 344999698 /nfs/dbraw/zinc/99/96/98/344999698.db2.gz ORZFAOWYCCQLRX-OAHLLOKOSA-N 1 0 249.402 3.265 10 0 BGAERO CCC(CC)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000153912235 344999632 /nfs/dbraw/zinc/99/96/32/344999632.db2.gz QQEVNGHMAWSYDQ-CQSZACIVSA-N 1 0 235.375 3.373 10 0 BGAERO CCC(CC)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000153912342 344999776 /nfs/dbraw/zinc/99/97/76/344999776.db2.gz QQEVNGHMAWSYDQ-AWEZNQCLSA-N 1 0 235.375 3.373 10 0 BGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000155893141 566474887 /nfs/dbraw/zinc/47/48/87/566474887.db2.gz PEOIKDQCKDBYBN-MQYQWHSLSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000155924463 206071158 /nfs/dbraw/zinc/07/11/58/206071158.db2.gz IFZDMUMJMMRSCM-CABCVRRESA-N 1 0 239.403 3.217 10 0 BGAERO CC(C)[C@H]1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000155924580 201370862 /nfs/dbraw/zinc/37/08/62/201370862.db2.gz IFZDMUMJMMRSCM-GJZGRUSLSA-N 1 0 239.403 3.217 10 0 BGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000155924701 206070262 /nfs/dbraw/zinc/07/02/62/206070262.db2.gz IFZDMUMJMMRSCM-HUUCEWRRSA-N 1 0 239.403 3.217 10 0 BGAERO CC(C)[C@H]1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000155924803 206071184 /nfs/dbraw/zinc/07/11/84/206071184.db2.gz IFZDMUMJMMRSCM-LSDHHAIUSA-N 1 0 239.403 3.217 10 0 BGAERO CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CC1CC1 ZINC000156048880 345120825 /nfs/dbraw/zinc/12/08/25/345120825.db2.gz IIKXPIZYNYTRLV-HNNXBMFYSA-N 1 0 245.366 3.249 10 0 BGAERO CC1(C)CO[C@@H](c2ccccc2)C[N@@H+]1CC1CC1 ZINC000156049001 345120587 /nfs/dbraw/zinc/12/05/87/345120587.db2.gz IIKXPIZYNYTRLV-OAHLLOKOSA-N 1 0 245.366 3.249 10 0 BGAERO Cc1sc(C[NH3+])cc1COCc1ccccc1 ZINC000156156617 384279892 /nfs/dbraw/zinc/27/98/92/384279892.db2.gz SDZFWLMYPXHGLC-UHFFFAOYSA-N 1 0 247.363 3.232 10 0 BGAERO CC(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000156249537 397757446 /nfs/dbraw/zinc/75/74/46/397757446.db2.gz FVKJKUDHKSPENV-ZDUSSCGKSA-N 1 0 235.327 3.094 10 0 BGAERO CC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000156249669 397757456 /nfs/dbraw/zinc/75/74/56/397757456.db2.gz FVKJKUDHKSPENV-CYBMUJFWSA-N 1 0 235.327 3.094 10 0 BGAERO CCNc1cc(NCc2ccccc2)cc[nH+]1 ZINC000156442142 385279549 /nfs/dbraw/zinc/27/95/49/385279549.db2.gz LDPIMEXVWDNUPU-UHFFFAOYSA-N 1 0 227.311 3.126 10 0 BGAERO CCCC[C@@H](COC)[NH2+][C@@H](CC)C(C)C ZINC000156648755 388014817 /nfs/dbraw/zinc/01/48/17/388014817.db2.gz CGUPEXHTOULKTA-STQMWFEESA-N 1 0 215.381 3.216 10 0 BGAERO CCCC[C@H](COC)[NH2+][C@@H](CC)C(C)C ZINC000156648879 388014834 /nfs/dbraw/zinc/01/48/34/388014834.db2.gz CGUPEXHTOULKTA-OLZOCXBDSA-N 1 0 215.381 3.216 10 0 BGAERO CCCC[C@@H](COC)[NH2+][C@H](CC)C(C)C ZINC000156648993 388016456 /nfs/dbraw/zinc/01/64/56/388016456.db2.gz CGUPEXHTOULKTA-QWHCGFSZSA-N 1 0 215.381 3.216 10 0 BGAERO CCCC[C@H](COC)[NH2+][C@H](CC)C(C)C ZINC000156649121 388016434 /nfs/dbraw/zinc/01/64/34/388016434.db2.gz CGUPEXHTOULKTA-CHWSQXEVSA-N 1 0 215.381 3.216 10 0 BGAERO COC[C@H](C)[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156720221 201469103 /nfs/dbraw/zinc/46/91/03/201469103.db2.gz INJANYGPWXAZHO-SWLSCSKDSA-N 1 0 247.382 3.325 10 0 BGAERO COC[C@@H](C)[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156720359 388025674 /nfs/dbraw/zinc/02/56/74/388025674.db2.gz INJANYGPWXAZHO-IUODEOHRSA-N 1 0 247.382 3.325 10 0 BGAERO COC[C@H](C)[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156720468 388025906 /nfs/dbraw/zinc/02/59/06/388025906.db2.gz INJANYGPWXAZHO-WFASDCNBSA-N 1 0 247.382 3.325 10 0 BGAERO COC[C@@H](C)[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156720596 388025198 /nfs/dbraw/zinc/02/51/98/388025198.db2.gz INJANYGPWXAZHO-DOMZBBRYSA-N 1 0 247.382 3.325 10 0 BGAERO COCCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156722429 388027182 /nfs/dbraw/zinc/02/71/82/388027182.db2.gz LENOHJXOCWLWIQ-HNNXBMFYSA-N 1 0 247.382 3.326 10 0 BGAERO COCCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156722583 386107119 /nfs/dbraw/zinc/10/71/19/386107119.db2.gz LENOHJXOCWLWIQ-OAHLLOKOSA-N 1 0 247.382 3.326 10 0 BGAERO CCOCC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156730889 388027791 /nfs/dbraw/zinc/02/77/91/388027791.db2.gz SBUFXINXNROOTE-OAHLLOKOSA-N 1 0 247.382 3.326 10 0 BGAERO CCOCC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156731036 388027546 /nfs/dbraw/zinc/02/75/46/388027546.db2.gz SBUFXINXNROOTE-HNNXBMFYSA-N 1 0 247.382 3.326 10 0 BGAERO C[C@H](O)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156752595 133472428 /nfs/dbraw/zinc/47/24/28/133472428.db2.gz PZNIHHPVWUCMGV-SWLSCSKDSA-N 1 0 247.382 3.061 10 0 BGAERO C[C@@H](O)CC[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000156752740 133472576 /nfs/dbraw/zinc/47/25/76/133472576.db2.gz PZNIHHPVWUCMGV-IUODEOHRSA-N 1 0 247.382 3.061 10 0 BGAERO C[C@H](O)CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156752875 133472643 /nfs/dbraw/zinc/47/26/43/133472643.db2.gz PZNIHHPVWUCMGV-WFASDCNBSA-N 1 0 247.382 3.061 10 0 BGAERO C[C@@H](O)CC[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000156753026 133472547 /nfs/dbraw/zinc/47/25/47/133472547.db2.gz PZNIHHPVWUCMGV-DOMZBBRYSA-N 1 0 247.382 3.061 10 0 BGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+][C@@H]1CCOC1 ZINC000156761121 384959818 /nfs/dbraw/zinc/95/98/18/384959818.db2.gz HCGHIONJRVDVJO-HIFRSBDPSA-N 1 0 245.366 3.079 10 0 BGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+][C@@H]1CCOC1 ZINC000156761246 384959352 /nfs/dbraw/zinc/95/93/52/384959352.db2.gz HCGHIONJRVDVJO-UKRRQHHQSA-N 1 0 245.366 3.079 10 0 BGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+][C@H]1CCOC1 ZINC000156761374 384960564 /nfs/dbraw/zinc/96/05/64/384960564.db2.gz HCGHIONJRVDVJO-ZFWWWQNUSA-N 1 0 245.366 3.079 10 0 BGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+][C@H]1CCOC1 ZINC000156761512 384958947 /nfs/dbraw/zinc/95/89/47/384958947.db2.gz HCGHIONJRVDVJO-DZGCQCFKSA-N 1 0 245.366 3.079 10 0 BGAERO Cc1cc(F)c([C@H]([NH3+])C2C[C@H]3C[C@H]3C2)cc1F ZINC000156780204 178075676 /nfs/dbraw/zinc/07/56/76/178075676.db2.gz DUPQTAVTMPRZHN-PYSJYSNASA-N 1 0 237.293 3.319 10 0 BGAERO COCC[NH2+]CC1(CCC(C)C)C[C@H]2C[C@H]2C1 ZINC000156863461 174332867 /nfs/dbraw/zinc/33/28/67/174332867.db2.gz SQBILYJKHJOWCZ-YIONKMFJSA-N 1 0 239.403 3.075 10 0 BGAERO Cc1cccc(NCCCOCc2ccco2)[nH+]1 ZINC000156959947 385027255 /nfs/dbraw/zinc/02/72/55/385027255.db2.gz GSVULOFCTSKRJB-UHFFFAOYSA-N 1 0 246.310 3.002 10 0 BGAERO C[NH2+]CC1(CCOc2ccccc2)C[C@H]2C[C@H]2C1 ZINC000157380356 173337835 /nfs/dbraw/zinc/33/78/35/173337835.db2.gz CVYZVCRELNQBFZ-MZBDJJRSSA-N 1 0 245.366 3.091 10 0 BGAERO COCCCC1(C[NH2+]C(C)(C)C)C[C@H]2C[C@H]2C1 ZINC000157543272 174170053 /nfs/dbraw/zinc/17/00/53/174170053.db2.gz JXXHCQAACWIJAO-NNQSOWQGSA-N 1 0 239.403 3.217 10 0 BGAERO [NH3+]Cc1ccc(-c2ccco2)cc1Cl ZINC000157556633 342804150 /nfs/dbraw/zinc/80/41/50/342804150.db2.gz RPOBUDZETPNEDS-UHFFFAOYSA-N 1 0 207.660 3.059 10 0 BGAERO C(C1CCSCC1)[C@H]1CCCCC[NH2+]1 ZINC000157586973 384222848 /nfs/dbraw/zinc/22/28/48/384222848.db2.gz FJGZLEAYDUEXDI-GFCCVEGCSA-N 1 0 213.390 3.052 10 0 BGAERO C(C1CCSCC1)[C@@H]1CCCCC[NH2+]1 ZINC000157587134 342805624 /nfs/dbraw/zinc/80/56/24/342805624.db2.gz FJGZLEAYDUEXDI-LBPRGKRZSA-N 1 0 213.390 3.052 10 0 BGAERO CCCCCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000157735153 385263053 /nfs/dbraw/zinc/26/30/53/385263053.db2.gz XFZRGLGMMIQYLT-UHFFFAOYSA-N 1 0 249.402 3.180 10 0 BGAERO CCCCCC[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000157736849 385263650 /nfs/dbraw/zinc/26/36/50/385263650.db2.gz HAIMTTRJUORQOW-UHFFFAOYSA-N 1 0 235.375 3.169 10 0 BGAERO CCCCCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000157887414 385296491 /nfs/dbraw/zinc/29/64/91/385296491.db2.gz GMXHBTOHKVMZKS-CQSZACIVSA-N 1 0 235.375 3.137 10 0 BGAERO CCCCCC[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000157887568 385296068 /nfs/dbraw/zinc/29/60/68/385296068.db2.gz GMXHBTOHKVMZKS-AWEZNQCLSA-N 1 0 235.375 3.137 10 0 BGAERO CCCCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000157981044 640781813 /nfs/dbraw/zinc/78/18/13/640781813.db2.gz JAEMZBQKDQOBGZ-UHFFFAOYSA-N 1 0 249.402 3.175 10 0 BGAERO CCCCCC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000158000994 631492223 /nfs/dbraw/zinc/49/22/23/631492223.db2.gz KRNWNMJLXZCXQB-HNNXBMFYSA-N 1 0 249.402 3.409 10 0 BGAERO CCCCCC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000158001151 641625475 /nfs/dbraw/zinc/62/54/75/641625475.db2.gz KRNWNMJLXZCXQB-OAHLLOKOSA-N 1 0 249.402 3.409 10 0 BGAERO CC(C)(C)CCC1(F)CCC([NH3+])CC1 ZINC000158044218 344327805 /nfs/dbraw/zinc/32/78/05/344327805.db2.gz OOHRSGBWKVRGBE-UHFFFAOYSA-N 1 0 201.329 3.422 10 0 BGAERO [NH3+]C1CCC(F)(c2ccc(Cl)s2)CC1 ZINC000158047760 344328409 /nfs/dbraw/zinc/32/84/09/344328409.db2.gz HSNCYMFQTRKWLM-UHFFFAOYSA-N 1 0 233.739 3.468 10 0 BGAERO Cc1cc(C2(F)CCC([NH3+])CC2)cs1 ZINC000158050682 344329200 /nfs/dbraw/zinc/32/92/00/344329200.db2.gz CFNAMQZOKYMKGK-UHFFFAOYSA-N 1 0 213.321 3.123 10 0 BGAERO F[C@@H](c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000158144401 344554469 /nfs/dbraw/zinc/55/44/69/344554469.db2.gz AUQMOTJFOGECKQ-SNVBAGLBSA-N 1 0 233.739 3.412 10 0 BGAERO F[C@H](c1ccc(Cl)s1)C1CC[NH2+]CC1 ZINC000158144541 344555003 /nfs/dbraw/zinc/55/50/03/344555003.db2.gz AUQMOTJFOGECKQ-JTQLQIEISA-N 1 0 233.739 3.412 10 0 BGAERO Cc1ccsc1[C@H](F)C1CC[NH2+]CC1 ZINC000158145640 344554601 /nfs/dbraw/zinc/55/46/01/344554601.db2.gz NEZINFRNQUDRJT-SNVBAGLBSA-N 1 0 213.321 3.067 10 0 BGAERO Cc1ccsc1[C@@H](F)C1CC[NH2+]CC1 ZINC000158145782 344554411 /nfs/dbraw/zinc/55/44/11/344554411.db2.gz NEZINFRNQUDRJT-JTQLQIEISA-N 1 0 213.321 3.067 10 0 BGAERO Cc1cc([C@H](F)C2CC[NH2+]CC2)cs1 ZINC000158150365 344554488 /nfs/dbraw/zinc/55/44/88/344554488.db2.gz PXCCDMXHKOMOGQ-LLVKDONJSA-N 1 0 213.321 3.067 10 0 BGAERO Cc1cc([C@@H](F)C2CC[NH2+]CC2)cs1 ZINC000158150517 344554942 /nfs/dbraw/zinc/55/49/42/344554942.db2.gz PXCCDMXHKOMOGQ-NSHDSACASA-N 1 0 213.321 3.067 10 0 BGAERO [NH3+]C1CC(F)(c2ccc(Cl)c(Cl)c2)C1 ZINC000158151640 344555902 /nfs/dbraw/zinc/55/59/02/344555902.db2.gz CVGSUPAKTVIUDN-UHFFFAOYSA-N 1 0 234.101 3.279 10 0 BGAERO [NH3+]C1CC(F)(c2cc(Cl)ccc2Cl)C1 ZINC000158153424 344556077 /nfs/dbraw/zinc/55/60/77/344556077.db2.gz KKDVRHKMLKOZAF-UHFFFAOYSA-N 1 0 234.101 3.279 10 0 BGAERO F[C@@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000158170766 344558544 /nfs/dbraw/zinc/55/85/44/344558544.db2.gz XYUXXRTVBNMNBR-JTQLQIEISA-N 1 0 234.101 3.152 10 0 BGAERO F[C@]1(c2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000158170896 344560164 /nfs/dbraw/zinc/56/01/64/344560164.db2.gz XYUXXRTVBNMNBR-SNVBAGLBSA-N 1 0 234.101 3.152 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2O)c1 ZINC000158218132 387940174 /nfs/dbraw/zinc/94/01/74/387940174.db2.gz IIKZRSRPAOYSPD-BPUTZDHNSA-N 1 0 247.382 3.197 10 0 BGAERO C[C@@](F)(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000158222635 344570341 /nfs/dbraw/zinc/57/03/41/344570341.db2.gz OIDSJGXWRHQSSP-SECBINFHSA-N 1 0 222.090 3.137 10 0 BGAERO C[C@](F)(C[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000158222775 344570256 /nfs/dbraw/zinc/57/02/56/344570256.db2.gz OIDSJGXWRHQSSP-VIFPVBQESA-N 1 0 222.090 3.137 10 0 BGAERO C[C@@](F)(C[NH3+])c1cc(Cl)ccc1Cl ZINC000158226262 344568060 /nfs/dbraw/zinc/56/80/60/344568060.db2.gz LWQCMRDOYMNCFU-SECBINFHSA-N 1 0 222.090 3.137 10 0 BGAERO C[C@](F)(C[NH3+])c1cc(Cl)ccc1Cl ZINC000158226413 344567928 /nfs/dbraw/zinc/56/79/28/344567928.db2.gz LWQCMRDOYMNCFU-VIFPVBQESA-N 1 0 222.090 3.137 10 0 BGAERO C[C@](F)(C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000158226550 344568064 /nfs/dbraw/zinc/56/80/64/344568064.db2.gz GHLGOXSICJHERM-SNVBAGLBSA-N 1 0 236.117 3.223 10 0 BGAERO C[C@@](F)(C[NH3+])Cc1ccc(Cl)c(Cl)c1 ZINC000158226705 344567827 /nfs/dbraw/zinc/56/78/27/344567827.db2.gz GHLGOXSICJHERM-JTQLQIEISA-N 1 0 236.117 3.223 10 0 BGAERO C[C@@](F)(C[NH3+])c1cccc(Cl)c1Cl ZINC000158232167 346391726 /nfs/dbraw/zinc/39/17/26/346391726.db2.gz RIHNPBHSSLADDZ-SECBINFHSA-N 1 0 222.090 3.137 10 0 BGAERO C[C@](F)(C[NH3+])c1cccc(Cl)c1Cl ZINC000158232295 344569533 /nfs/dbraw/zinc/56/95/33/344569533.db2.gz RIHNPBHSSLADDZ-VIFPVBQESA-N 1 0 222.090 3.137 10 0 BGAERO C[C@](F)(C[NH3+])Cc1cc(Cl)ccc1Cl ZINC000158232759 344569835 /nfs/dbraw/zinc/56/98/35/344569835.db2.gz CGDNXTRQDMUDFA-SNVBAGLBSA-N 1 0 236.117 3.223 10 0 BGAERO C[C@@](F)(C[NH3+])Cc1cc(Cl)ccc1Cl ZINC000158232912 344567880 /nfs/dbraw/zinc/56/78/80/344567880.db2.gz CGDNXTRQDMUDFA-JTQLQIEISA-N 1 0 236.117 3.223 10 0 BGAERO C[C@](F)(C[NH3+])Cc1c(Cl)cccc1Cl ZINC000158242142 344571401 /nfs/dbraw/zinc/57/14/01/344571401.db2.gz TWMFAUNCDYCMGL-SNVBAGLBSA-N 1 0 236.117 3.223 10 0 BGAERO C[C@@](F)(C[NH3+])Cc1c(Cl)cccc1Cl ZINC000158242285 344571454 /nfs/dbraw/zinc/57/14/54/344571454.db2.gz TWMFAUNCDYCMGL-JTQLQIEISA-N 1 0 236.117 3.223 10 0 BGAERO C[C@](F)(C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000158244007 344573990 /nfs/dbraw/zinc/57/39/90/344573990.db2.gz RCCZVNZRVIAXDE-SNVBAGLBSA-N 1 0 236.117 3.223 10 0 BGAERO C[C@@](F)(C[NH3+])Cc1ccc(Cl)cc1Cl ZINC000158244158 344573951 /nfs/dbraw/zinc/57/39/51/344573951.db2.gz RCCZVNZRVIAXDE-JTQLQIEISA-N 1 0 236.117 3.223 10 0 BGAERO Cc1ccc([C@H](F)[C@@H]2CCC[NH2+]C2)s1 ZINC000158266874 344577512 /nfs/dbraw/zinc/57/75/12/344577512.db2.gz NOUXRZPWSDLDIK-MWLCHTKSSA-N 1 0 213.321 3.067 10 0 BGAERO Cc1ccc([C@@H](F)[C@@H]2CCC[NH2+]C2)s1 ZINC000158267035 344577268 /nfs/dbraw/zinc/57/72/68/344577268.db2.gz NOUXRZPWSDLDIK-KOLCDFICSA-N 1 0 213.321 3.067 10 0 BGAERO Cc1ccc([C@H](F)[C@H]2CCC[NH2+]C2)s1 ZINC000158267167 344577288 /nfs/dbraw/zinc/57/72/88/344577288.db2.gz NOUXRZPWSDLDIK-GXSJLCMTSA-N 1 0 213.321 3.067 10 0 BGAERO Cc1ccc([C@@H](F)[C@H]2CCC[NH2+]C2)s1 ZINC000158267305 344577141 /nfs/dbraw/zinc/57/71/41/344577141.db2.gz NOUXRZPWSDLDIK-ONGXEEELSA-N 1 0 213.321 3.067 10 0 BGAERO F[C@@H](c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000158272298 344580117 /nfs/dbraw/zinc/58/01/17/344580117.db2.gz ACBYNNUPQHTUKP-GMSGAONNSA-N 1 0 233.739 3.412 10 0 BGAERO F[C@H](c1ccc(Cl)s1)[C@@H]1CCC[NH2+]C1 ZINC000158272438 344580179 /nfs/dbraw/zinc/58/01/79/344580179.db2.gz ACBYNNUPQHTUKP-XCBNKYQSSA-N 1 0 233.739 3.412 10 0 BGAERO F[C@@H](c1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000158272597 344579980 /nfs/dbraw/zinc/57/99/80/344579980.db2.gz ACBYNNUPQHTUKP-OIBJUYFYSA-N 1 0 233.739 3.412 10 0 BGAERO F[C@H](c1ccc(Cl)s1)[C@H]1CCC[NH2+]C1 ZINC000158272741 344579949 /nfs/dbraw/zinc/57/99/49/344579949.db2.gz ACBYNNUPQHTUKP-XVKPBYJWSA-N 1 0 233.739 3.412 10 0 BGAERO Cc1ccsc1[C@H](F)[C@@H]1CCC[NH2+]C1 ZINC000158274696 344580247 /nfs/dbraw/zinc/58/02/47/344580247.db2.gz SUABMHWGEHMLDQ-NXEZZACHSA-N 1 0 213.321 3.067 10 0 BGAERO Cc1ccsc1[C@@H](F)[C@@H]1CCC[NH2+]C1 ZINC000158274845 344580100 /nfs/dbraw/zinc/58/01/00/344580100.db2.gz SUABMHWGEHMLDQ-ZJUUUORDSA-N 1 0 213.321 3.067 10 0 BGAERO Cc1ccsc1[C@H](F)[C@H]1CCC[NH2+]C1 ZINC000158274989 344580262 /nfs/dbraw/zinc/58/02/62/344580262.db2.gz SUABMHWGEHMLDQ-VHSXEESVSA-N 1 0 213.321 3.067 10 0 BGAERO Cc1ccsc1[C@@H](F)[C@H]1CCC[NH2+]C1 ZINC000158275132 344580150 /nfs/dbraw/zinc/58/01/50/344580150.db2.gz SUABMHWGEHMLDQ-UWVGGRQHSA-N 1 0 213.321 3.067 10 0 BGAERO [NH3+][C@H]1CC[C@@](F)(Cc2ccc(Cl)s2)C1 ZINC000158298011 344582270 /nfs/dbraw/zinc/58/22/70/344582270.db2.gz HIRDKGKNSOSZBK-XVKPBYJWSA-N 1 0 233.739 3.164 10 0 BGAERO [NH3+][C@H]1CC[C@](F)(Cc2ccc(Cl)s2)C1 ZINC000158298152 344582553 /nfs/dbraw/zinc/58/25/53/344582553.db2.gz HIRDKGKNSOSZBK-OIBJUYFYSA-N 1 0 233.739 3.164 10 0 BGAERO [NH3+][C@@H]1CC[C@@](F)(Cc2ccc(Cl)s2)C1 ZINC000158298316 344582557 /nfs/dbraw/zinc/58/25/57/344582557.db2.gz HIRDKGKNSOSZBK-XCBNKYQSSA-N 1 0 233.739 3.164 10 0 BGAERO [NH3+][C@@H]1CC[C@](F)(Cc2ccc(Cl)s2)C1 ZINC000158298464 344582336 /nfs/dbraw/zinc/58/23/36/344582336.db2.gz HIRDKGKNSOSZBK-GMSGAONNSA-N 1 0 233.739 3.164 10 0 BGAERO [NH3+][C@H]1CC[C@@](F)(c2ccc(Cl)s2)C1 ZINC000158301508 344584055 /nfs/dbraw/zinc/58/40/55/344584055.db2.gz JEYMEHJVIACGKB-RCOVLWMOSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@H]1CC[C@](F)(c2ccc(Cl)s2)C1 ZINC000158301662 344582684 /nfs/dbraw/zinc/58/26/84/344582684.db2.gz JEYMEHJVIACGKB-IMTBSYHQSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@@H]1CC[C@@](F)(c2ccc(Cl)s2)C1 ZINC000158301804 344583202 /nfs/dbraw/zinc/58/32/02/344583202.db2.gz JEYMEHJVIACGKB-MUWHJKNJSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@@H]1CC[C@](F)(c2ccc(Cl)s2)C1 ZINC000158301954 344587366 /nfs/dbraw/zinc/58/73/66/344587366.db2.gz JEYMEHJVIACGKB-HZGVNTEJSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@H]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000158320076 344592046 /nfs/dbraw/zinc/59/20/46/344592046.db2.gz RQNUOGHADBTIMN-QWRGUYRKSA-N 1 0 213.683 3.016 10 0 BGAERO [NH3+][C@H]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000158320226 344592393 /nfs/dbraw/zinc/59/23/93/344592393.db2.gz RQNUOGHADBTIMN-WDEREUQCSA-N 1 0 213.683 3.016 10 0 BGAERO [NH3+][C@@H]1CC[C@@](F)(c2cccc(Cl)c2)C1 ZINC000158320371 344592024 /nfs/dbraw/zinc/59/20/24/344592024.db2.gz RQNUOGHADBTIMN-MNOVXSKESA-N 1 0 213.683 3.016 10 0 BGAERO [NH3+][C@@H]1CC[C@](F)(c2cccc(Cl)c2)C1 ZINC000158320517 344592391 /nfs/dbraw/zinc/59/23/91/344592391.db2.gz RQNUOGHADBTIMN-GHMZBOCLSA-N 1 0 213.683 3.016 10 0 BGAERO CC[C@](F)(C[NH3+])[C@@H]1CC[C@H](C)[C@H](C)C1 ZINC000158327522 344597223 /nfs/dbraw/zinc/59/72/23/344597223.db2.gz GNHRCGIIRTUYPW-QCNOEVLYSA-N 1 0 201.329 3.136 10 0 BGAERO Cc1cc([C@@](F)(C[NH3+])C(C)(C)C)cs1 ZINC000158376471 344629760 /nfs/dbraw/zinc/62/97/60/344629760.db2.gz VUNZKVGFCPHVFV-NSHDSACASA-N 1 0 215.337 3.226 10 0 BGAERO Cc1cc([C@](F)(C[NH3+])C(C)(C)C)cs1 ZINC000158376603 344630077 /nfs/dbraw/zinc/63/00/77/344630077.db2.gz VUNZKVGFCPHVFV-LLVKDONJSA-N 1 0 215.337 3.226 10 0 BGAERO CC(C)[C@@](F)(C[NH3+])c1ccccc1Cl ZINC000158382710 344629968 /nfs/dbraw/zinc/62/99/68/344629968.db2.gz BXIIYHMMZQPAML-NSHDSACASA-N 1 0 215.699 3.120 10 0 BGAERO CC(C)[C@](F)(C[NH3+])c1ccccc1Cl ZINC000158382866 344630589 /nfs/dbraw/zinc/63/05/89/344630589.db2.gz BXIIYHMMZQPAML-LLVKDONJSA-N 1 0 215.699 3.120 10 0 BGAERO CC(C)[C@@](F)(C[NH3+])c1ccc(Cl)s1 ZINC000158386520 346395696 /nfs/dbraw/zinc/39/56/96/346395696.db2.gz PKCYYEYVTKABCQ-VIFPVBQESA-N 1 0 221.728 3.181 10 0 BGAERO CC(C)[C@](F)(C[NH3+])c1ccc(Cl)s1 ZINC000158386641 410240389 /nfs/dbraw/zinc/24/03/89/410240389.db2.gz PKCYYEYVTKABCQ-SECBINFHSA-N 1 0 221.728 3.181 10 0 BGAERO CC(C)[C@@](F)(C[NH3+])c1cccc(Cl)c1 ZINC000158397385 344639733 /nfs/dbraw/zinc/63/97/33/344639733.db2.gz ZDHOMMYEXGHBAP-NSHDSACASA-N 1 0 215.699 3.120 10 0 BGAERO CC(C)[C@](F)(C[NH3+])c1cccc(Cl)c1 ZINC000158397528 344639599 /nfs/dbraw/zinc/63/95/99/344639599.db2.gz ZDHOMMYEXGHBAP-LLVKDONJSA-N 1 0 215.699 3.120 10 0 BGAERO CC(C)(C)CC[C@]1(F)CCC[C@H]([NH3+])C1 ZINC000158422367 344648688 /nfs/dbraw/zinc/64/86/88/344648688.db2.gz CKPYGVBKJHJXSA-CMPLNLGQSA-N 1 0 201.329 3.422 10 0 BGAERO CC(C)(C)CC[C@@]1(F)CCC[C@H]([NH3+])C1 ZINC000158422512 344648937 /nfs/dbraw/zinc/64/89/37/344648937.db2.gz CKPYGVBKJHJXSA-JQWIXIFHSA-N 1 0 201.329 3.422 10 0 BGAERO CC(C)(C)CC[C@]1(F)CCC[C@@H]([NH3+])C1 ZINC000158422657 344648792 /nfs/dbraw/zinc/64/87/92/344648792.db2.gz CKPYGVBKJHJXSA-ZYHUDNBSSA-N 1 0 201.329 3.422 10 0 BGAERO CC(C)(C)CC[C@@]1(F)CCC[C@@H]([NH3+])C1 ZINC000158422780 344648999 /nfs/dbraw/zinc/64/89/99/344648999.db2.gz CKPYGVBKJHJXSA-PWSUYJOCSA-N 1 0 201.329 3.422 10 0 BGAERO Cc1ccc([C@]2(F)CCC[C@H]([NH3+])C2)s1 ZINC000158428699 344649084 /nfs/dbraw/zinc/64/90/84/344649084.db2.gz VWIJRWAVHKPLAJ-ONGXEEELSA-N 1 0 213.321 3.123 10 0 BGAERO Cc1ccc([C@@]2(F)CCC[C@H]([NH3+])C2)s1 ZINC000158428839 344649520 /nfs/dbraw/zinc/64/95/20/344649520.db2.gz VWIJRWAVHKPLAJ-GXSJLCMTSA-N 1 0 213.321 3.123 10 0 BGAERO Cc1ccc([C@]2(F)CCC[C@@H]([NH3+])C2)s1 ZINC000158428983 344649891 /nfs/dbraw/zinc/64/98/91/344649891.db2.gz VWIJRWAVHKPLAJ-KOLCDFICSA-N 1 0 213.321 3.123 10 0 BGAERO Cc1ccc([C@@]2(F)CCC[C@@H]([NH3+])C2)s1 ZINC000158429119 344648865 /nfs/dbraw/zinc/64/88/65/344648865.db2.gz VWIJRWAVHKPLAJ-MWLCHTKSSA-N 1 0 213.321 3.123 10 0 BGAERO [NH3+][C@H]1CCC[C@@](F)(c2ccc(Cl)s2)C1 ZINC000158435183 344652660 /nfs/dbraw/zinc/65/26/60/344652660.db2.gz FQDCKBKUMFPLAB-XVKPBYJWSA-N 1 0 233.739 3.468 10 0 BGAERO [NH3+][C@H]1CCC[C@](F)(c2ccc(Cl)s2)C1 ZINC000158435313 344652867 /nfs/dbraw/zinc/65/28/67/344652867.db2.gz FQDCKBKUMFPLAB-OIBJUYFYSA-N 1 0 233.739 3.468 10 0 BGAERO [NH3+][C@@H]1CCC[C@@](F)(c2ccc(Cl)s2)C1 ZINC000158435464 344652591 /nfs/dbraw/zinc/65/25/91/344652591.db2.gz FQDCKBKUMFPLAB-XCBNKYQSSA-N 1 0 233.739 3.468 10 0 BGAERO [NH3+][C@@H]1CCC[C@](F)(c2ccc(Cl)s2)C1 ZINC000158435612 344652824 /nfs/dbraw/zinc/65/28/24/344652824.db2.gz FQDCKBKUMFPLAB-GMSGAONNSA-N 1 0 233.739 3.468 10 0 BGAERO Cc1cc([C@]2(F)CCC[C@H]([NH3+])C2)cs1 ZINC000158444544 344655390 /nfs/dbraw/zinc/65/53/90/344655390.db2.gz DZICRMYHKYQNDW-QWRGUYRKSA-N 1 0 213.321 3.123 10 0 BGAERO Cc1cc([C@@]2(F)CCC[C@H]([NH3+])C2)cs1 ZINC000158444684 344655331 /nfs/dbraw/zinc/65/53/31/344655331.db2.gz DZICRMYHKYQNDW-WDEREUQCSA-N 1 0 213.321 3.123 10 0 BGAERO Cc1cc([C@]2(F)CCC[C@@H]([NH3+])C2)cs1 ZINC000158444843 344655061 /nfs/dbraw/zinc/65/50/61/344655061.db2.gz DZICRMYHKYQNDW-MNOVXSKESA-N 1 0 213.321 3.123 10 0 BGAERO Cc1cc([C@@]2(F)CCC[C@@H]([NH3+])C2)cs1 ZINC000158444986 344655164 /nfs/dbraw/zinc/65/51/64/344655164.db2.gz DZICRMYHKYQNDW-GHMZBOCLSA-N 1 0 213.321 3.123 10 0 BGAERO C[C@@H]1CCSC[C@H](C2CCCCC2)[NH2+]1 ZINC000158684380 344721253 /nfs/dbraw/zinc/72/12/53/344721253.db2.gz TYKOEIUHUNUOKB-ZYHUDNBSSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CCSC[C@H](C2CCCCC2)[NH2+]1 ZINC000158684532 344721437 /nfs/dbraw/zinc/72/14/37/344721437.db2.gz TYKOEIUHUNUOKB-CMPLNLGQSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@@H]1CCSC[C@@H](C2CCCCC2)[NH2+]1 ZINC000158684660 344721261 /nfs/dbraw/zinc/72/12/61/344721261.db2.gz TYKOEIUHUNUOKB-PWSUYJOCSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CCSC[C@@H](C2CCCCC2)[NH2+]1 ZINC000158684823 344721236 /nfs/dbraw/zinc/72/12/36/344721236.db2.gz TYKOEIUHUNUOKB-JQWIXIFHSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](C2CCCCC2)CS1 ZINC000158694457 344726243 /nfs/dbraw/zinc/72/62/43/344726243.db2.gz ZICZKDQHJNPHSA-PWSUYJOCSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CC[NH2+][C@H](C2CCCCC2)CS1 ZINC000158694593 344726628 /nfs/dbraw/zinc/72/66/28/344726628.db2.gz ZICZKDQHJNPHSA-JQWIXIFHSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](C2CCCCC2)CS1 ZINC000158694705 344726626 /nfs/dbraw/zinc/72/66/26/344726626.db2.gz ZICZKDQHJNPHSA-ZYHUDNBSSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CC[NH2+][C@@H](C2CCCCC2)CS1 ZINC000158694850 344726377 /nfs/dbraw/zinc/72/63/77/344726377.db2.gz ZICZKDQHJNPHSA-CMPLNLGQSA-N 1 0 213.390 3.050 10 0 BGAERO CC[C@]1(C)[C@@H](c2ccc(F)c(F)c2)C[C@@H]1[NH2+]C ZINC000158703715 171209943 /nfs/dbraw/zinc/20/99/43/171209943.db2.gz AWMSHNVPIJAVQA-DDTOSNHZSA-N 1 0 239.309 3.456 10 0 BGAERO CC[NH2+][C@@H](C)c1csc(Br)c1 ZINC000158816929 345509780 /nfs/dbraw/zinc/50/97/80/345509780.db2.gz YLYIUDIVPPFEIT-LURJTMIESA-N 1 0 234.162 3.181 10 0 BGAERO CC[NH2+][C@H](C)c1csc(Br)c1 ZINC000158817062 346403596 /nfs/dbraw/zinc/40/35/96/346403596.db2.gz YLYIUDIVPPFEIT-ZCFIWIBFSA-N 1 0 234.162 3.181 10 0 BGAERO COc1cccc(CC[NH2+][C@H](C)CC(C)C)c1 ZINC000158964203 384602452 /nfs/dbraw/zinc/60/24/52/384602452.db2.gz DEOKOEPKSGZBJO-CYBMUJFWSA-N 1 0 235.371 3.262 10 0 BGAERO COc1cccc(CC[NH2+][C@@H](C)CC(C)C)c1 ZINC000158964342 384599808 /nfs/dbraw/zinc/59/98/08/384599808.db2.gz DEOKOEPKSGZBJO-ZDUSSCGKSA-N 1 0 235.371 3.262 10 0 BGAERO COc1cccc(CC[NH2+][C@@H](C)C2(C)CC2)c1 ZINC000158986550 175252438 /nfs/dbraw/zinc/25/24/38/175252438.db2.gz MFGJJMCREDMCAK-LBPRGKRZSA-N 1 0 233.355 3.016 10 0 BGAERO COc1cccc(CC[NH2+][C@H](C)C2(C)CC2)c1 ZINC000158986696 175252633 /nfs/dbraw/zinc/25/26/33/175252633.db2.gz MFGJJMCREDMCAK-GFCCVEGCSA-N 1 0 233.355 3.016 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccnc2ccccc21 ZINC000158992029 346943141 /nfs/dbraw/zinc/94/31/41/346943141.db2.gz RWYYYENFBNGKQC-ZDUSSCGKSA-N 1 0 214.312 3.281 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000158992158 346943332 /nfs/dbraw/zinc/94/33/32/346943332.db2.gz RWYYYENFBNGKQC-CYBMUJFWSA-N 1 0 214.312 3.281 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000159037643 167383981 /nfs/dbraw/zinc/38/39/81/167383981.db2.gz MZQWWNDMVCZCGJ-ZJUUUORDSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1cccnc1Cl ZINC000159037783 191108546 /nfs/dbraw/zinc/10/85/46/191108546.db2.gz MZQWWNDMVCZCGJ-UWVGGRQHSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000159037913 167385044 /nfs/dbraw/zinc/38/50/44/167385044.db2.gz MZQWWNDMVCZCGJ-NXEZZACHSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](C)c1cccnc1Cl ZINC000159038028 187298211 /nfs/dbraw/zinc/29/82/11/187298211.db2.gz MZQWWNDMVCZCGJ-VHSXEESVSA-N 1 0 226.751 3.430 10 0 BGAERO CS[C@@H](C)C[NH2+]Cc1ccnc2ccccc12 ZINC000159139551 326350502 /nfs/dbraw/zinc/35/05/02/326350502.db2.gz VDSMESFJDCYHAI-NSHDSACASA-N 1 0 246.379 3.076 10 0 BGAERO CS[C@H](C)C[NH2+]Cc1ccnc2ccccc12 ZINC000159139683 326350731 /nfs/dbraw/zinc/35/07/31/326350731.db2.gz VDSMESFJDCYHAI-LLVKDONJSA-N 1 0 246.379 3.076 10 0 BGAERO CC(C)[C@@](F)(C[NH3+])c1ccc(Cl)cc1 ZINC000159459334 346421416 /nfs/dbraw/zinc/42/14/16/346421416.db2.gz YDCSNSVFCPATQE-NSHDSACASA-N 1 0 215.699 3.120 10 0 BGAERO CC(C)[C@](F)(C[NH3+])c1ccc(Cl)cc1 ZINC000159459474 350411823 /nfs/dbraw/zinc/41/18/23/350411823.db2.gz YDCSNSVFCPATQE-LLVKDONJSA-N 1 0 215.699 3.120 10 0 BGAERO CCCCC[C@H]([NH3+])c1c(OC)cccc1OC ZINC000159533964 350878794 /nfs/dbraw/zinc/87/87/94/350878794.db2.gz DDQRBHTXMCLBTR-NSHDSACASA-N 1 0 237.343 3.284 10 0 BGAERO CCCCC[C@@H]([NH3+])c1c(OC)cccc1OC ZINC000159534056 350878890 /nfs/dbraw/zinc/87/88/90/350878890.db2.gz DDQRBHTXMCLBTR-LLVKDONJSA-N 1 0 237.343 3.284 10 0 BGAERO CCCCC[C@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000159673160 350971847 /nfs/dbraw/zinc/97/18/47/350971847.db2.gz BOCZTLSLQNYGSL-AWEZNQCLSA-N 1 0 237.343 3.284 10 0 BGAERO CCCCC[C@@H]([NH3+])c1cc(OC)cc(OC)c1 ZINC000159673304 350971708 /nfs/dbraw/zinc/97/17/08/350971708.db2.gz BOCZTLSLQNYGSL-CQSZACIVSA-N 1 0 237.343 3.284 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)Cc1cccc(F)c1Cl ZINC000159902259 351024335 /nfs/dbraw/zinc/02/43/35/351024335.db2.gz XTBXBHSZEHFDBK-JGVFFNPUSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Cc1cccc(F)c1Cl ZINC000159902393 351024313 /nfs/dbraw/zinc/02/43/13/351024313.db2.gz XTBXBHSZEHFDBK-HTQZYQBOSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)Cc1cccc(F)c1Cl ZINC000159902518 351024175 /nfs/dbraw/zinc/02/41/75/351024175.db2.gz XTBXBHSZEHFDBK-YUMQZZPRSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H](Cc1cccc(F)c1Cl)[C@H](C)[NH3+] ZINC000159902671 351024326 /nfs/dbraw/zinc/02/43/26/351024326.db2.gz XTBXBHSZEHFDBK-SFYZADRCSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)[C@H]([NH3+])Cc1cccc(F)c1Cl ZINC000159908536 351025058 /nfs/dbraw/zinc/02/50/58/351025058.db2.gz VJLDXEDFVLQHOF-SNVBAGLBSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)[C@@H]([NH3+])Cc1cccc(F)c1Cl ZINC000159908707 351024980 /nfs/dbraw/zinc/02/49/80/351024980.db2.gz VJLDXEDFVLQHOF-JTQLQIEISA-N 1 0 215.699 3.005 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000159917931 323054063 /nfs/dbraw/zinc/05/40/63/323054063.db2.gz OODJKFDFRKXSDK-FVQBIDKESA-N 1 0 247.382 3.339 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)cc1 ZINC000159924505 323054064 /nfs/dbraw/zinc/05/40/64/323054064.db2.gz OODJKFDFRKXSDK-NUEKZKHPSA-N 1 0 247.382 3.339 10 0 BGAERO C[C@H]1SCc2c(Cl)c(F)ccc2[C@H]1[NH3+] ZINC000159929222 351038125 /nfs/dbraw/zinc/03/81/25/351038125.db2.gz UESMOSNIHJWNPO-FWOIEVBISA-N 1 0 231.723 3.114 10 0 BGAERO C[C@@H]1SCc2c(Cl)c(F)ccc2[C@H]1[NH3+] ZINC000159929353 351037701 /nfs/dbraw/zinc/03/77/01/351037701.db2.gz UESMOSNIHJWNPO-RRAGMBSWSA-N 1 0 231.723 3.114 10 0 BGAERO C[C@H]1SCc2c(Cl)c(F)ccc2[C@@H]1[NH3+] ZINC000159929477 351038040 /nfs/dbraw/zinc/03/80/40/351038040.db2.gz UESMOSNIHJWNPO-GPXNAGAYSA-N 1 0 231.723 3.114 10 0 BGAERO C[C@@H]1SCc2c(Cl)c(F)ccc2[C@@H]1[NH3+] ZINC000159929615 351037851 /nfs/dbraw/zinc/03/78/51/351037851.db2.gz UESMOSNIHJWNPO-XUOSJQGZSA-N 1 0 231.723 3.114 10 0 BGAERO [NH3+][C@@H]1CCSCc2c(Cl)c(F)ccc21 ZINC000159929896 351037919 /nfs/dbraw/zinc/03/79/19/351037919.db2.gz VEVWZDXRUPCCPZ-SECBINFHSA-N 1 0 231.723 3.116 10 0 BGAERO CC(=[NH2+])Nc1c(C)cc(C)cc1Br ZINC000159945170 351125296 /nfs/dbraw/zinc/12/52/96/351125296.db2.gz XZNDPDRIJWUJDN-UHFFFAOYSA-N 1 0 241.132 3.475 10 0 BGAERO CCCn1nccc1C[NH2+][C@@H](C)c1cccs1 ZINC000159987708 488097331 /nfs/dbraw/zinc/09/73/31/488097331.db2.gz ZWCYGXVRHQRVSR-NSHDSACASA-N 1 0 249.383 3.205 10 0 BGAERO CCCn1nccc1C[NH2+][C@H](C)c1cccs1 ZINC000159987864 488097160 /nfs/dbraw/zinc/09/71/60/488097160.db2.gz ZWCYGXVRHQRVSR-LLVKDONJSA-N 1 0 249.383 3.205 10 0 BGAERO CCC(=[NH2+])Nc1ccc(F)c(Br)c1 ZINC000160073156 353130695 /nfs/dbraw/zinc/13/06/95/353130695.db2.gz FYGOHTLKAVVEJA-UHFFFAOYSA-N 1 0 245.095 3.387 10 0 BGAERO C[C@]1([C@H]([NH3+])c2cccs2)CCCS1 ZINC000160074531 353131010 /nfs/dbraw/zinc/13/10/10/353131010.db2.gz QFKJKZYLODACON-NXEZZACHSA-N 1 0 213.371 3.034 10 0 BGAERO C[C@@]1([C@H]([NH3+])c2cccs2)CCCS1 ZINC000160074654 353131132 /nfs/dbraw/zinc/13/11/32/353131132.db2.gz QFKJKZYLODACON-ZJUUUORDSA-N 1 0 213.371 3.034 10 0 BGAERO C[C@]1([C@@H]([NH3+])c2cccs2)CCCS1 ZINC000160074785 353131211 /nfs/dbraw/zinc/13/12/11/353131211.db2.gz QFKJKZYLODACON-VHSXEESVSA-N 1 0 213.371 3.034 10 0 BGAERO C[C@@]1([C@@H]([NH3+])c2cccs2)CCCS1 ZINC000160074916 353131057 /nfs/dbraw/zinc/13/10/57/353131057.db2.gz QFKJKZYLODACON-UWVGGRQHSA-N 1 0 213.371 3.034 10 0 BGAERO C[NH2+][C@H](c1cccs1)[C@@]1(C)CCCS1 ZINC000160095611 353136003 /nfs/dbraw/zinc/13/60/03/353136003.db2.gz BLBRILVNHMWSDS-GHMZBOCLSA-N 1 0 227.398 3.294 10 0 BGAERO C[NH2+][C@H](c1cccs1)[C@]1(C)CCCS1 ZINC000160095758 353135812 /nfs/dbraw/zinc/13/58/12/353135812.db2.gz BLBRILVNHMWSDS-MNOVXSKESA-N 1 0 227.398 3.294 10 0 BGAERO C[NH2+][C@@H](c1cccs1)[C@@]1(C)CCCS1 ZINC000160095898 353135914 /nfs/dbraw/zinc/13/59/14/353135914.db2.gz BLBRILVNHMWSDS-WDEREUQCSA-N 1 0 227.398 3.294 10 0 BGAERO C[NH2+][C@@H](c1cccs1)[C@]1(C)CCCS1 ZINC000160096036 353135563 /nfs/dbraw/zinc/13/55/63/353135563.db2.gz BLBRILVNHMWSDS-QWRGUYRKSA-N 1 0 227.398 3.294 10 0 BGAERO CCCn1nccc1C[NH2+]C1CCC(CC)CC1 ZINC000160116830 488108891 /nfs/dbraw/zinc/10/88/91/488108891.db2.gz KMEBDBZATGWSLG-UHFFFAOYSA-N 1 0 249.402 3.352 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cnccn2)c1 ZINC000160138091 323061202 /nfs/dbraw/zinc/06/12/02/323061202.db2.gz BJZBBRLUTNUCEL-OLZOCXBDSA-N 1 0 241.338 3.197 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cnccn2)c1 ZINC000160138217 323061198 /nfs/dbraw/zinc/06/11/98/323061198.db2.gz BJZBBRLUTNUCEL-CHWSQXEVSA-N 1 0 241.338 3.197 10 0 BGAERO CCn1cncc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000160157051 388047389 /nfs/dbraw/zinc/04/73/89/388047389.db2.gz QPBRGIDUAKRLGK-CYBMUJFWSA-N 1 0 243.354 3.062 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]Cc2cccn2C)c1 ZINC000160167780 179183318 /nfs/dbraw/zinc/18/33/18/179183318.db2.gz LYMWZOXOOHHBJX-CYBMUJFWSA-N 1 0 228.339 3.184 10 0 BGAERO CCn1cncc1C[NH2+][C@@H](C)c1cccc(C)c1 ZINC000160201680 388053598 /nfs/dbraw/zinc/05/35/98/388053598.db2.gz QPBRGIDUAKRLGK-ZDUSSCGKSA-N 1 0 243.354 3.062 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]Cc2cccn2C)c1 ZINC000160211609 179196795 /nfs/dbraw/zinc/19/67/95/179196795.db2.gz LYMWZOXOOHHBJX-ZDUSSCGKSA-N 1 0 228.339 3.184 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000160216748 343203549 /nfs/dbraw/zinc/20/35/49/343203549.db2.gz RCSKOVBCCGSFRS-FVQBIDKESA-N 1 0 247.382 3.339 10 0 BGAERO CC(=[NH2+])Nc1cc(F)c(Br)cc1C ZINC000160224899 353788865 /nfs/dbraw/zinc/78/88/65/353788865.db2.gz WDUORKIRNLINHV-UHFFFAOYSA-N 1 0 245.095 3.306 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCCC[C@H]2O)c1 ZINC000160242479 343203309 /nfs/dbraw/zinc/20/33/09/343203309.db2.gz RCSKOVBCCGSFRS-NUEKZKHPSA-N 1 0 247.382 3.339 10 0 BGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1O ZINC000160316155 201710827 /nfs/dbraw/zinc/71/08/27/201710827.db2.gz SCAMXAPYFCFOQY-XQLPTFJDSA-N 1 0 239.403 3.094 10 0 BGAERO Cc1cccnc1C[NH2+]Cc1c(C)cccc1C ZINC000160384174 179383323 /nfs/dbraw/zinc/38/33/23/179383323.db2.gz UYWXQRZTOCVKQU-UHFFFAOYSA-N 1 0 240.350 3.297 10 0 BGAERO CC(C)(C)CC[C@]1(F)CCC[NH2+]CC1 ZINC000160733623 357930774 /nfs/dbraw/zinc/93/07/74/357930774.db2.gz UHNHNDYKOIOWLZ-GFCCVEGCSA-N 1 0 201.329 3.295 10 0 BGAERO CC(C)(C)CC[C@@]1(F)CCC[NH2+]CC1 ZINC000160733751 357930597 /nfs/dbraw/zinc/93/05/97/357930597.db2.gz UHNHNDYKOIOWLZ-LBPRGKRZSA-N 1 0 201.329 3.295 10 0 BGAERO F[C@@]1(c2ccc(Cl)s2)CCC[NH2+]CC1 ZINC000160734646 357930728 /nfs/dbraw/zinc/93/07/28/357930728.db2.gz GTCJNRZUMGUMMI-JTQLQIEISA-N 1 0 233.739 3.340 10 0 BGAERO F[C@]1(c2ccc(Cl)s2)CCC[NH2+]CC1 ZINC000160734773 357930692 /nfs/dbraw/zinc/93/06/92/357930692.db2.gz GTCJNRZUMGUMMI-SNVBAGLBSA-N 1 0 233.739 3.340 10 0 BGAERO C[C@H]1SCc2c(Cl)cc(F)cc2[C@H]1[NH3+] ZINC000160810612 358745375 /nfs/dbraw/zinc/74/53/75/358745375.db2.gz LNJYHCPFRSBZFP-FWOIEVBISA-N 1 0 231.723 3.114 10 0 BGAERO C[C@@H]1SCc2c(Cl)cc(F)cc2[C@H]1[NH3+] ZINC000160810730 358746182 /nfs/dbraw/zinc/74/61/82/358746182.db2.gz LNJYHCPFRSBZFP-RRAGMBSWSA-N 1 0 231.723 3.114 10 0 BGAERO C[C@H]1SCc2c(Cl)cc(F)cc2[C@@H]1[NH3+] ZINC000160810869 358746411 /nfs/dbraw/zinc/74/64/11/358746411.db2.gz LNJYHCPFRSBZFP-GPXNAGAYSA-N 1 0 231.723 3.114 10 0 BGAERO C[C@@H]1SCc2c(Cl)cc(F)cc2[C@@H]1[NH3+] ZINC000160810985 358746370 /nfs/dbraw/zinc/74/63/70/358746370.db2.gz LNJYHCPFRSBZFP-XUOSJQGZSA-N 1 0 231.723 3.114 10 0 BGAERO [NH3+][C@@H]1CCSCc2c(Cl)cc(F)cc21 ZINC000160821646 358952132 /nfs/dbraw/zinc/95/21/32/358952132.db2.gz XIMLDUXLHFAYLC-SNVBAGLBSA-N 1 0 231.723 3.116 10 0 BGAERO [NH3+][C@H]1CCSCc2c(Cl)cc(F)cc21 ZINC000160821779 358952354 /nfs/dbraw/zinc/95/23/54/358952354.db2.gz XIMLDUXLHFAYLC-JTQLQIEISA-N 1 0 231.723 3.116 10 0 BGAERO C[C@@H]1C[C@@]1(C[NH3+])c1c(Cl)cccc1Cl ZINC000160954443 359562160 /nfs/dbraw/zinc/56/21/60/359562160.db2.gz NRXGNLBALHPILI-HQJQHLMTSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@H]1C[C@@]1(C[NH3+])c1c(Cl)cccc1Cl ZINC000160954580 359563166 /nfs/dbraw/zinc/56/31/66/359563166.db2.gz NRXGNLBALHPILI-CPCISQLKSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@H]1C[C@]1(C[NH3+])c1c(Cl)cccc1Cl ZINC000160954707 359563761 /nfs/dbraw/zinc/56/37/61/359563761.db2.gz NRXGNLBALHPILI-RDDDGLTNSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@H]1C[C@]1(C[NH3+])c1c(Cl)cccc1Cl ZINC000160954812 359563495 /nfs/dbraw/zinc/56/34/95/359563495.db2.gz NRXGNLBALHPILI-WRWORJQWSA-N 1 0 230.138 3.230 10 0 BGAERO C[C@@H]1C[C@@]1(C[NH3+])Sc1ccccc1Cl ZINC000160993647 359684689 /nfs/dbraw/zinc/68/46/89/359684689.db2.gz RGGQQUUREXFVDT-KCJUWKMLSA-N 1 0 227.760 3.169 10 0 BGAERO C[C@H]1C[C@@]1(C[NH3+])Sc1ccccc1Cl ZINC000160993808 359685027 /nfs/dbraw/zinc/68/50/27/359685027.db2.gz RGGQQUUREXFVDT-KWQFWETISA-N 1 0 227.760 3.169 10 0 BGAERO C[C@@H]1C[C@]1(C[NH3+])Sc1ccccc1Cl ZINC000160993942 359685039 /nfs/dbraw/zinc/68/50/39/359685039.db2.gz RGGQQUUREXFVDT-LDYMZIIASA-N 1 0 227.760 3.169 10 0 BGAERO C[C@H]1C[C@]1(C[NH3+])Sc1ccccc1Cl ZINC000160994063 359684759 /nfs/dbraw/zinc/68/47/59/359684759.db2.gz RGGQQUUREXFVDT-GZMMTYOYSA-N 1 0 227.760 3.169 10 0 BGAERO C[C@H]1C[C@@]1(C[NH3+])Sc1cccc(Cl)c1 ZINC000160994844 359684187 /nfs/dbraw/zinc/68/41/87/359684187.db2.gz STYJSZGCLDMYCS-KWQFWETISA-N 1 0 227.760 3.169 10 0 BGAERO C[C@@H]1C[C@]1(C[NH3+])Sc1cccc(Cl)c1 ZINC000160994966 359683994 /nfs/dbraw/zinc/68/39/94/359683994.db2.gz STYJSZGCLDMYCS-LDYMZIIASA-N 1 0 227.760 3.169 10 0 BGAERO C[C@H]1C[C@]1(C[NH3+])Sc1cccc(Cl)c1 ZINC000160995078 359684264 /nfs/dbraw/zinc/68/42/64/359684264.db2.gz STYJSZGCLDMYCS-GZMMTYOYSA-N 1 0 227.760 3.169 10 0 BGAERO C[C@@H]1C[C@]1([NH3+])c1c(Cl)cccc1Cl ZINC000161001415 359704178 /nfs/dbraw/zinc/70/41/78/359704178.db2.gz GVRSBFUVYYHBNX-LHLIQPBNSA-N 1 0 216.111 3.187 10 0 BGAERO C[C@H]1C[C@]1([NH3+])c1c(Cl)cccc1Cl ZINC000161001534 359704059 /nfs/dbraw/zinc/70/40/59/359704059.db2.gz GVRSBFUVYYHBNX-QUBYGPBYSA-N 1 0 216.111 3.187 10 0 BGAERO C[C@@H]1C[C@@]1([NH3+])c1c(Cl)cccc1Cl ZINC000161001631 359704122 /nfs/dbraw/zinc/70/41/22/359704122.db2.gz GVRSBFUVYYHBNX-LDWIPMOCSA-N 1 0 216.111 3.187 10 0 BGAERO C[C@H]1C[C@@]1([NH3+])c1c(Cl)cccc1Cl ZINC000161001714 359704115 /nfs/dbraw/zinc/70/41/15/359704115.db2.gz GVRSBFUVYYHBNX-WKEGUHRASA-N 1 0 216.111 3.187 10 0 BGAERO CC[C@@H]1C[C@]1([NH3+])c1c(F)cccc1Cl ZINC000161002887 359704968 /nfs/dbraw/zinc/70/49/68/359704968.db2.gz YIKSNEBADMSDMU-RDDDGLTNSA-N 1 0 213.683 3.063 10 0 BGAERO CC[C@H]1C[C@]1([NH3+])c1c(F)cccc1Cl ZINC000161003037 359704985 /nfs/dbraw/zinc/70/49/85/359704985.db2.gz YIKSNEBADMSDMU-WRWORJQWSA-N 1 0 213.683 3.063 10 0 BGAERO CC[C@@H]1C[C@@]1([NH3+])c1c(F)cccc1Cl ZINC000161003151 359706863 /nfs/dbraw/zinc/70/68/63/359706863.db2.gz YIKSNEBADMSDMU-HQJQHLMTSA-N 1 0 213.683 3.063 10 0 BGAERO CC[C@H]1C[C@@]1([NH3+])c1c(F)cccc1Cl ZINC000161003257 359706957 /nfs/dbraw/zinc/70/69/57/359706957.db2.gz YIKSNEBADMSDMU-CPCISQLKSA-N 1 0 213.683 3.063 10 0 BGAERO CC[C@@H]1C[C@]1([NH3+])c1cccc(Cl)c1F ZINC000161012614 359733574 /nfs/dbraw/zinc/73/35/74/359733574.db2.gz AHYOZDUYPZBVKH-RDDDGLTNSA-N 1 0 213.683 3.063 10 0 BGAERO CC[C@H]1C[C@]1([NH3+])c1cccc(Cl)c1F ZINC000161012733 359733762 /nfs/dbraw/zinc/73/37/62/359733762.db2.gz AHYOZDUYPZBVKH-WRWORJQWSA-N 1 0 213.683 3.063 10 0 BGAERO CC[C@@H]1C[C@@]1([NH3+])c1cccc(Cl)c1F ZINC000161012844 359733887 /nfs/dbraw/zinc/73/38/87/359733887.db2.gz AHYOZDUYPZBVKH-HQJQHLMTSA-N 1 0 213.683 3.063 10 0 BGAERO CC[C@H]1C[C@@]1([NH3+])c1cccc(Cl)c1F ZINC000161012956 359733620 /nfs/dbraw/zinc/73/36/20/359733620.db2.gz AHYOZDUYPZBVKH-CPCISQLKSA-N 1 0 213.683 3.063 10 0 BGAERO [NH3+]C/C=C/c1ccc(Br)cc1Cl ZINC000161109970 363063768 /nfs/dbraw/zinc/06/37/68/363063768.db2.gz IWAPJCWUFPYDIP-OWOJBTEDSA-N 1 0 246.535 3.074 10 0 BGAERO CC(C)[C@H]([NH3+])Cc1ccc(Cl)cc1F ZINC000161134456 363118564 /nfs/dbraw/zinc/11/85/64/363118564.db2.gz YNHXWHKRZRQMAR-LLVKDONJSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)[C@@H]([NH3+])Cc1ccc(Cl)cc1F ZINC000161134579 363118937 /nfs/dbraw/zinc/11/89/37/363118937.db2.gz YNHXWHKRZRQMAR-NSHDSACASA-N 1 0 215.699 3.005 10 0 BGAERO Cc1c(C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)cnn1C ZINC000161306540 133513091 /nfs/dbraw/zinc/51/30/91/133513091.db2.gz NUTQMLDYYPZRMN-BXUZGUMPSA-N 1 0 249.402 3.033 10 0 BGAERO Cc1c(C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)cnn1C ZINC000161306663 349419495 /nfs/dbraw/zinc/41/94/95/349419495.db2.gz NUTQMLDYYPZRMN-RISCZKNCSA-N 1 0 249.402 3.033 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2sccc2C)co1 ZINC000161446704 369090018 /nfs/dbraw/zinc/09/00/18/369090018.db2.gz JIJZBMRFKCQGPW-SNVBAGLBSA-N 1 0 207.298 3.006 10 0 BGAERO Cc1cc([C@H]([NH3+])c2sccc2C)co1 ZINC000161446809 369089960 /nfs/dbraw/zinc/08/99/60/369089960.db2.gz JIJZBMRFKCQGPW-JTQLQIEISA-N 1 0 207.298 3.006 10 0 BGAERO CCC(CC)(CO)C[NH2+]CC1CCC(C)CC1 ZINC000161590200 349481068 /nfs/dbraw/zinc/48/10/68/349481068.db2.gz RRSTUOUCPRXBFB-UHFFFAOYSA-N 1 0 241.419 3.201 10 0 BGAERO CCC(CC)(CO)C[NH2+][C@H]1CC[C@H](C)C[C@@H]1C ZINC000161597749 168328280 /nfs/dbraw/zinc/32/82/80/168328280.db2.gz GYCRLRJORXYIET-IHRRRGAJSA-N 1 0 241.419 3.199 10 0 BGAERO CCC(CC)(CO)C[NH2+][C@H]1CC[C@@H](C)C[C@@H]1C ZINC000161597968 168328347 /nfs/dbraw/zinc/32/83/47/168328347.db2.gz GYCRLRJORXYIET-RDBSUJKOSA-N 1 0 241.419 3.199 10 0 BGAERO CCC(CC)(CO)C[NH2+]C1C[C@H](C)C[C@H](C)C1 ZINC000161606903 168328098 /nfs/dbraw/zinc/32/80/98/168328098.db2.gz FFDVLIJTNIAVOM-PBWFPOADSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000161666226 370873020 /nfs/dbraw/zinc/87/30/20/370873020.db2.gz IXIGCVOOLZVJGR-JTQLQIEISA-N 1 0 228.133 3.167 10 0 BGAERO CC[C@@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000161666360 346496264 /nfs/dbraw/zinc/49/62/64/346496264.db2.gz IXIGCVOOLZVJGR-SNVBAGLBSA-N 1 0 228.133 3.167 10 0 BGAERO Cc1cc(Br)cc([C@H]([NH3+])C2CC2)c1 ZINC000161667082 370873978 /nfs/dbraw/zinc/87/39/78/370873978.db2.gz DJQVUHXVBTWTCD-LLVKDONJSA-N 1 0 240.144 3.167 10 0 BGAERO Cc1cc(Br)cc([C@@H]([NH3+])C2CC2)c1 ZINC000161667203 370874072 /nfs/dbraw/zinc/87/40/72/370874072.db2.gz DJQVUHXVBTWTCD-NSHDSACASA-N 1 0 240.144 3.167 10 0 BGAERO [NH3+]Cc1ccc(-c2cccs2)c(F)c1 ZINC000161672823 370960489 /nfs/dbraw/zinc/96/04/89/370960489.db2.gz HJBJIBJFYXOFKP-UHFFFAOYSA-N 1 0 207.273 3.013 10 0 BGAERO CC[C@H]([NH3+])c1ccc(Br)cc1C ZINC000161694296 371552843 /nfs/dbraw/zinc/55/28/43/371552843.db2.gz OTPTUYIDIDVWRX-JTQLQIEISA-N 1 0 228.133 3.167 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000161694367 371552408 /nfs/dbraw/zinc/55/24/08/371552408.db2.gz OTPTUYIDIDVWRX-SNVBAGLBSA-N 1 0 228.133 3.167 10 0 BGAERO Cc1cc(Br)ccc1[C@H]([NH3+])C1CC1 ZINC000161695101 371553284 /nfs/dbraw/zinc/55/32/84/371553284.db2.gz UPVAXBPHOSIHSU-LLVKDONJSA-N 1 0 240.144 3.167 10 0 BGAERO Cc1cc(Br)ccc1[C@@H]([NH3+])C1CC1 ZINC000161695212 371553700 /nfs/dbraw/zinc/55/37/00/371553700.db2.gz UPVAXBPHOSIHSU-NSHDSACASA-N 1 0 240.144 3.167 10 0 BGAERO CC[C@H]([NH3+])c1cccc(Br)c1C ZINC000161705133 350060075 /nfs/dbraw/zinc/06/00/75/350060075.db2.gz KOLZUSQBQQZEJQ-JTQLQIEISA-N 1 0 228.133 3.167 10 0 BGAERO CC[C@@H]([NH3+])c1cccc(Br)c1C ZINC000161705242 371554765 /nfs/dbraw/zinc/55/47/65/371554765.db2.gz KOLZUSQBQQZEJQ-SNVBAGLBSA-N 1 0 228.133 3.167 10 0 BGAERO Cc1c(Br)cccc1[C@H]([NH3+])C1CC1 ZINC000161705969 371555128 /nfs/dbraw/zinc/55/51/28/371555128.db2.gz RRUKHSHJEDJEBJ-LLVKDONJSA-N 1 0 240.144 3.167 10 0 BGAERO Cc1c(Br)cccc1[C@@H]([NH3+])C1CC1 ZINC000161706093 371555204 /nfs/dbraw/zinc/55/52/04/371555204.db2.gz RRUKHSHJEDJEBJ-NSHDSACASA-N 1 0 240.144 3.167 10 0 BGAERO CC[C@H]([NH3+])c1cc(F)c(Cl)cc1F ZINC000161708484 350436556 /nfs/dbraw/zinc/43/65/56/350436556.db2.gz QIGQKENKUDEVAP-VIFPVBQESA-N 1 0 205.635 3.028 10 0 BGAERO CC[C@@H]([NH3+])c1cc(F)c(Cl)cc1F ZINC000161708624 371555421 /nfs/dbraw/zinc/55/54/21/371555421.db2.gz QIGQKENKUDEVAP-SECBINFHSA-N 1 0 205.635 3.028 10 0 BGAERO [NH3+]Cc1ccc(-c2ccsc2)c(F)c1 ZINC000161715849 371554996 /nfs/dbraw/zinc/55/49/96/371554996.db2.gz UUWZYMWSODSZKA-UHFFFAOYSA-N 1 0 207.273 3.013 10 0 BGAERO CC[C@H]1[C@@H]([NH3+])C[C@@H]1c1ccc(OC(C)C)cc1 ZINC000161862660 171686701 /nfs/dbraw/zinc/68/67/01/171686701.db2.gz QEEWZSRTSUBULC-KFWWJZLASA-N 1 0 233.355 3.315 10 0 BGAERO CCCOc1ccc([C@H]2C[C@H]([NH3+])[C@@H]2CC)cc1 ZINC000161863088 169322240 /nfs/dbraw/zinc/32/22/40/169322240.db2.gz YJNXBYZNFIMQPO-KFWWJZLASA-N 1 0 233.355 3.316 10 0 BGAERO CCCOc1ccc([C@H]2C[C@@H]([NH3+])[C@@H]2CC)cc1 ZINC000161863375 169322204 /nfs/dbraw/zinc/32/22/04/169322204.db2.gz YJNXBYZNFIMQPO-RBSFLKMASA-N 1 0 233.355 3.316 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H]1CCCc2sccc21 ZINC000161943753 347235356 /nfs/dbraw/zinc/23/53/56/347235356.db2.gz FJHSESBOBXHCKM-UWVGGRQHSA-N 1 0 209.358 3.166 10 0 BGAERO CC[NH2+][C@@H](C)[C@H]1CCCc2sccc21 ZINC000161943988 346503565 /nfs/dbraw/zinc/50/35/65/346503565.db2.gz FJHSESBOBXHCKM-VHSXEESVSA-N 1 0 209.358 3.166 10 0 BGAERO Cc1c(C[NH2+][C@@H]2CCC[C@H](C(C)C)C2)cnn1C ZINC000161956652 388013330 /nfs/dbraw/zinc/01/33/30/388013330.db2.gz SAZOOPNVABNIMV-DZGCQCFKSA-N 1 0 249.402 3.033 10 0 BGAERO Cc1c(C[NH2+][C@H]2CCC[C@H](C(C)C)C2)cnn1C ZINC000161956761 388013253 /nfs/dbraw/zinc/01/32/53/388013253.db2.gz SAZOOPNVABNIMV-ZFWWWQNUSA-N 1 0 249.402 3.033 10 0 BGAERO Cc1c(C[NH2+][C@@H]2CCC[C@@H](C(C)C)C2)cnn1C ZINC000161956885 388013711 /nfs/dbraw/zinc/01/37/11/388013711.db2.gz SAZOOPNVABNIMV-UKRRQHHQSA-N 1 0 249.402 3.033 10 0 BGAERO Cc1c(C[NH2+][C@H]2CCC[C@@H](C(C)C)C2)cnn1C ZINC000161956995 388013656 /nfs/dbraw/zinc/01/36/56/388013656.db2.gz SAZOOPNVABNIMV-HIFRSBDPSA-N 1 0 249.402 3.033 10 0 BGAERO CC[NH2+][C@H]1C[C@@H](c2ccc(OC)cc2)[C@@H]1CC ZINC000161990162 170169782 /nfs/dbraw/zinc/16/97/82/170169782.db2.gz OVEBLKKSDXSVIW-KKUMJFAQSA-N 1 0 233.355 3.187 10 0 BGAERO CC[NH2+][C@H]1C[C@H](c2ccc(OC)cc2)[C@@H]1CC ZINC000161990388 170169314 /nfs/dbraw/zinc/16/93/14/170169314.db2.gz OVEBLKKSDXSVIW-ZNMIVQPWSA-N 1 0 233.355 3.187 10 0 BGAERO CCCCC[C@H]([NH3+])c1ccncc1Cl ZINC000162033923 371604979 /nfs/dbraw/zinc/60/49/79/371604979.db2.gz JAPKXFUIVXVYPQ-NSHDSACASA-N 1 0 212.724 3.315 10 0 BGAERO CCCCC[C@@H]([NH3+])c1ccncc1Cl ZINC000162034044 371604681 /nfs/dbraw/zinc/60/46/81/371604681.db2.gz JAPKXFUIVXVYPQ-LLVKDONJSA-N 1 0 212.724 3.315 10 0 BGAERO CC[C@H](COC)[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000162299397 323603853 /nfs/dbraw/zinc/60/38/53/323603853.db2.gz RSGHIEDXXHLLIB-BJJXKVORSA-N 1 0 247.382 3.243 10 0 BGAERO Cc1ncsc1[C@H]([NH3+])CC1CCCC1 ZINC000162534755 371707823 /nfs/dbraw/zinc/70/78/23/371707823.db2.gz FOAHSESCGANEKJ-SNVBAGLBSA-N 1 0 210.346 3.032 10 0 BGAERO Cc1ncsc1[C@@H]([NH3+])CC1CCCC1 ZINC000162534876 371708524 /nfs/dbraw/zinc/70/85/24/371708524.db2.gz FOAHSESCGANEKJ-JTQLQIEISA-N 1 0 210.346 3.032 10 0 BGAERO C[C@]1([C@H]([NH3+])CC2CCCC2)CCCS1 ZINC000162539153 371708111 /nfs/dbraw/zinc/70/81/11/371708111.db2.gz QCXXFJYRRUWLFM-VXGBXAGGSA-N 1 0 213.390 3.180 10 0 BGAERO C[C@@]1([C@H]([NH3+])CC2CCCC2)CCCS1 ZINC000162539278 371708825 /nfs/dbraw/zinc/70/88/25/371708825.db2.gz QCXXFJYRRUWLFM-NEPJUHHUSA-N 1 0 213.390 3.180 10 0 BGAERO C[C@]1([C@@H]([NH3+])CC2CCCC2)CCCS1 ZINC000162539383 371708892 /nfs/dbraw/zinc/70/88/92/371708892.db2.gz QCXXFJYRRUWLFM-NWDGAFQWSA-N 1 0 213.390 3.180 10 0 BGAERO C[C@@]1([C@@H]([NH3+])CC2CCCC2)CCCS1 ZINC000162539506 371708882 /nfs/dbraw/zinc/70/88/82/371708882.db2.gz QCXXFJYRRUWLFM-RYUDHWBXSA-N 1 0 213.390 3.180 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162584192 349757556 /nfs/dbraw/zinc/75/75/56/349757556.db2.gz YYENGQRCEZXTQU-HQJQHLMTSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162584285 349757481 /nfs/dbraw/zinc/75/74/81/349757481.db2.gz YYENGQRCEZXTQU-CPCISQLKSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162584392 349758110 /nfs/dbraw/zinc/75/81/10/349758110.db2.gz YYENGQRCEZXTQU-RDDDGLTNSA-N 1 0 247.235 3.343 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000162584494 349758051 /nfs/dbraw/zinc/75/80/51/349758051.db2.gz YYENGQRCEZXTQU-WRWORJQWSA-N 1 0 247.235 3.343 10 0 BGAERO CC1CCC(C[NH2+]CCOC(C)(C)C)CC1 ZINC000162683840 538924227 /nfs/dbraw/zinc/92/42/27/538924227.db2.gz KLJSHRMVXMVTEF-UHFFFAOYSA-N 1 0 227.392 3.217 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(Br)c(Cl)c1 ZINC000162744323 371838919 /nfs/dbraw/zinc/83/89/19/371838919.db2.gz ARTKAVHYLWGKNT-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1ccc(Br)c(Cl)c1 ZINC000162744452 346537123 /nfs/dbraw/zinc/53/71/23/346537123.db2.gz ARTKAVHYLWGKNT-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1cccc(Br)c1C ZINC000162745580 371839177 /nfs/dbraw/zinc/83/91/77/371839177.db2.gz PWGDUDWREFDEPS-MRVPVSSYSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@@H](C)c1cccc(Br)c1C ZINC000162745711 371839034 /nfs/dbraw/zinc/83/90/34/371839034.db2.gz PWGDUDWREFDEPS-QMMMGPOBSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@H](C)c1ccc(C)cc1Br ZINC000162746133 371838251 /nfs/dbraw/zinc/83/82/51/371838251.db2.gz UNQMREYQRIKHTC-MRVPVSSYSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(C)cc1Br ZINC000162746258 371838443 /nfs/dbraw/zinc/83/84/43/371838443.db2.gz UNQMREYQRIKHTC-QMMMGPOBSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@@H](C)c1cc(Br)ccc1Cl ZINC000162749632 371838906 /nfs/dbraw/zinc/83/89/06/371838906.db2.gz GPYGRGLFXCIMLO-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1cc(Br)ccc1Cl ZINC000162749747 371839041 /nfs/dbraw/zinc/83/90/41/371839041.db2.gz GPYGRGLFXCIMLO-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1cc(C)ccc1Br ZINC000162749918 371838840 /nfs/dbraw/zinc/83/88/40/371838840.db2.gz ZWZNWVSINGIAAZ-MRVPVSSYSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@@H](C)c1cc(C)ccc1Br ZINC000162750044 371838701 /nfs/dbraw/zinc/83/87/01/371838701.db2.gz ZWZNWVSINGIAAZ-QMMMGPOBSA-N 1 0 228.133 3.038 10 0 BGAERO CC(C)[C@H]([NH3+])c1csc(Br)c1 ZINC000162752218 371839918 /nfs/dbraw/zinc/83/99/18/371839918.db2.gz CAIKHNYCTFBNRX-QMMMGPOBSA-N 1 0 234.162 3.166 10 0 BGAERO CC(C)[C@@H]([NH3+])c1csc(Br)c1 ZINC000162752361 346538057 /nfs/dbraw/zinc/53/80/57/346538057.db2.gz CAIKHNYCTFBNRX-MRVPVSSYSA-N 1 0 234.162 3.166 10 0 BGAERO CC[C@H]1SCc2c(C)cccc2[C@H]1[NH3+] ZINC000162804263 371856376 /nfs/dbraw/zinc/85/63/76/371856376.db2.gz HVOQYLUWYROKAI-VXGBXAGGSA-N 1 0 207.342 3.020 10 0 BGAERO CC[C@@H]1SCc2c(C)cccc2[C@H]1[NH3+] ZINC000162804360 371857737 /nfs/dbraw/zinc/85/77/37/371857737.db2.gz HVOQYLUWYROKAI-NWDGAFQWSA-N 1 0 207.342 3.020 10 0 BGAERO CC[C@H]1SCc2c(C)cccc2[C@@H]1[NH3+] ZINC000162804461 371857540 /nfs/dbraw/zinc/85/75/40/371857540.db2.gz HVOQYLUWYROKAI-NEPJUHHUSA-N 1 0 207.342 3.020 10 0 BGAERO CC[C@@H]1SCc2c(C)cccc2[C@@H]1[NH3+] ZINC000162804556 371856398 /nfs/dbraw/zinc/85/63/98/371856398.db2.gz HVOQYLUWYROKAI-RYUDHWBXSA-N 1 0 207.342 3.020 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000162846797 343206016 /nfs/dbraw/zinc/20/60/16/343206016.db2.gz YARAMPUHNHVPTQ-JTQLQIEISA-N 1 0 229.270 3.334 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ccnc2ccccc21 ZINC000162851086 371865820 /nfs/dbraw/zinc/86/58/20/371865820.db2.gz NWLYZTPSNZWAOJ-CYBMUJFWSA-N 1 0 214.312 3.281 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000162851214 344430276 /nfs/dbraw/zinc/43/02/76/344430276.db2.gz NWLYZTPSNZWAOJ-ZDUSSCGKSA-N 1 0 214.312 3.281 10 0 BGAERO Cc1cccc(C[NH2+]C[C@@H](C)C(C)(C)C)n1 ZINC000162856022 538925411 /nfs/dbraw/zinc/92/54/11/538925411.db2.gz SLBGHTOYBCCWFI-LLVKDONJSA-N 1 0 220.360 3.162 10 0 BGAERO Cc1cccc(C[NH2+]C[C@H](C)C(C)(C)C)n1 ZINC000162856139 538925196 /nfs/dbraw/zinc/92/51/96/538925196.db2.gz SLBGHTOYBCCWFI-NSHDSACASA-N 1 0 220.360 3.162 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1c1cc(F)ccc1Cl ZINC000162861940 371871497 /nfs/dbraw/zinc/87/14/97/371871497.db2.gz JULPFBFBFOZOLW-KWQFWETISA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1c1cc(F)ccc1Cl ZINC000162862061 371871605 /nfs/dbraw/zinc/87/16/05/371871605.db2.gz JULPFBFBFOZOLW-KCJUWKMLSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1c1cc(F)ccc1Cl ZINC000162862195 371871416 /nfs/dbraw/zinc/87/14/16/371871416.db2.gz JULPFBFBFOZOLW-GZMMTYOYSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1c1cc(F)ccc1Cl ZINC000162862316 371871066 /nfs/dbraw/zinc/87/10/66/371871066.db2.gz JULPFBFBFOZOLW-LDYMZIIASA-N 1 0 213.683 3.074 10 0 BGAERO CCC(CC)C[N@H+](CC)CC(O)(CC)CC ZINC000162890140 202090811 /nfs/dbraw/zinc/09/08/11/202090811.db2.gz BNHWKNYKOOHVTI-UHFFFAOYSA-N 1 0 229.408 3.296 10 0 BGAERO Cc1cc(N[C@@H]2CCc3cc(N)ccc32)cc[nH+]1 ZINC000162902452 324135709 /nfs/dbraw/zinc/13/57/09/324135709.db2.gz XAROCZQIFFJPNO-OAHLLOKOSA-N 1 0 239.322 3.072 10 0 BGAERO Cc1cc(N[C@H]2CCc3cc(N)ccc32)cc[nH+]1 ZINC000162902573 324135723 /nfs/dbraw/zinc/13/57/23/324135723.db2.gz XAROCZQIFFJPNO-HNNXBMFYSA-N 1 0 239.322 3.072 10 0 BGAERO CC[C@H]([NH3+])c1cc(C)c(Br)c(C)c1 ZINC000162902735 371880595 /nfs/dbraw/zinc/88/05/95/371880595.db2.gz WDOYXMGEGNLEFF-JTQLQIEISA-N 1 0 242.160 3.476 10 0 BGAERO CC[C@@H]([NH3+])c1cc(C)c(Br)c(C)c1 ZINC000162902854 371880887 /nfs/dbraw/zinc/88/08/87/371880887.db2.gz WDOYXMGEGNLEFF-SNVBAGLBSA-N 1 0 242.160 3.476 10 0 BGAERO Cc1cc([C@@H](C)[NH3+])cc(C)c1Br ZINC000162905658 371880511 /nfs/dbraw/zinc/88/05/11/371880511.db2.gz VPALKOXJNGMLEQ-MRVPVSSYSA-N 1 0 228.133 3.086 10 0 BGAERO Cc1cc([C@H](C)[NH3+])cc(C)c1Br ZINC000162905754 346541657 /nfs/dbraw/zinc/54/16/57/346541657.db2.gz VPALKOXJNGMLEQ-QMMMGPOBSA-N 1 0 228.133 3.086 10 0 BGAERO C[NH2+][C@H](C)c1cc(C)c(Br)c(C)c1 ZINC000162912999 371884449 /nfs/dbraw/zinc/88/44/49/371884449.db2.gz AORUAWQWCBWSEB-SECBINFHSA-N 1 0 242.160 3.346 10 0 BGAERO C[NH2+][C@@H](C)c1cc(C)c(Br)c(C)c1 ZINC000162913125 371883675 /nfs/dbraw/zinc/88/36/75/371883675.db2.gz AORUAWQWCBWSEB-VIFPVBQESA-N 1 0 242.160 3.346 10 0 BGAERO Cc1cc(C2([NH3+])CC2)cc(C)c1Br ZINC000162921122 371885894 /nfs/dbraw/zinc/88/58/94/371885894.db2.gz KPGPASSJZKPXQQ-UHFFFAOYSA-N 1 0 240.144 3.014 10 0 BGAERO C[NH2+][C@H](C)c1cc(C)cc(Br)c1 ZINC000162984601 371902294 /nfs/dbraw/zinc/90/22/94/371902294.db2.gz XYTMTGTWYBABJL-MRVPVSSYSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@@H](C)c1cc(C)cc(Br)c1 ZINC000162984726 346544104 /nfs/dbraw/zinc/54/41/04/346544104.db2.gz XYTMTGTWYBABJL-QMMMGPOBSA-N 1 0 228.133 3.038 10 0 BGAERO CC(C)[C@H]([NH3+])Cc1cc(Cl)ccc1F ZINC000163011988 371911227 /nfs/dbraw/zinc/91/12/27/371911227.db2.gz FODOTCRFALBRJD-LLVKDONJSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)[C@@H]([NH3+])Cc1cc(Cl)ccc1F ZINC000163012085 371911133 /nfs/dbraw/zinc/91/11/33/371911133.db2.gz FODOTCRFALBRJD-NSHDSACASA-N 1 0 215.699 3.005 10 0 BGAERO CC[C@@H]1CCC[N@H+](CC(O)(CC)CC)CC1 ZINC000163012199 202142984 /nfs/dbraw/zinc/14/29/84/202142984.db2.gz MENBYDSXNCPNGJ-CYBMUJFWSA-N 1 0 227.392 3.050 10 0 BGAERO CC[C@H]1CCC[N@H+](CC(O)(CC)CC)CC1 ZINC000163012300 202143936 /nfs/dbraw/zinc/14/39/36/202143936.db2.gz MENBYDSXNCPNGJ-ZDUSSCGKSA-N 1 0 227.392 3.050 10 0 BGAERO CC(C)[NH2+][C@@H]1CCCN(C[C@@H](C)C(C)(C)C)C1 ZINC000163137619 633050482 /nfs/dbraw/zinc/05/04/82/633050482.db2.gz WGEAFATXRVNUDW-ZIAGYGMSSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)[NH2+][C@H]1CCCN(C[C@@H](C)C(C)(C)C)C1 ZINC000163137727 633049863 /nfs/dbraw/zinc/04/98/63/633049863.db2.gz WGEAFATXRVNUDW-KGLIPLIRSA-N 1 0 240.435 3.131 10 0 BGAERO Cc1ccc(F)cc1C[NH2+][C@@H](C)C(C)C ZINC000163233186 361406427 /nfs/dbraw/zinc/40/64/27/361406427.db2.gz JKKXCFZDEQTOJC-NSHDSACASA-N 1 0 209.308 3.268 10 0 BGAERO Cc1ccc(F)cc1C[NH2+][C@H](C)C(C)C ZINC000163233293 133657476 /nfs/dbraw/zinc/65/74/76/133657476.db2.gz JKKXCFZDEQTOJC-LLVKDONJSA-N 1 0 209.308 3.268 10 0 BGAERO Cc1ccc(Cl)cc1[C@H]([NH3+])C1CCC1 ZINC000163280572 371964189 /nfs/dbraw/zinc/96/41/89/371964189.db2.gz GLLLATVUZQMJNX-GFCCVEGCSA-N 1 0 209.720 3.448 10 0 BGAERO Cc1ccc(Cl)cc1[C@@H]([NH3+])C1CCC1 ZINC000163280694 371964212 /nfs/dbraw/zinc/96/42/12/371964212.db2.gz GLLLATVUZQMJNX-LBPRGKRZSA-N 1 0 209.720 3.448 10 0 BGAERO Cc1cccc([C@H]([NH3+])C2CCC2)c1Cl ZINC000163284627 371966383 /nfs/dbraw/zinc/96/63/83/371966383.db2.gz UIUSXKLMGGUERO-GFCCVEGCSA-N 1 0 209.720 3.448 10 0 BGAERO Cc1cccc([C@@H]([NH3+])C2CCC2)c1Cl ZINC000163284739 371965964 /nfs/dbraw/zinc/96/59/64/371965964.db2.gz UIUSXKLMGGUERO-LBPRGKRZSA-N 1 0 209.720 3.448 10 0 BGAERO Cc1cc(Cl)cc([C@H]([NH3+])CC2CC2)c1 ZINC000163289198 371965359 /nfs/dbraw/zinc/96/53/59/371965359.db2.gz QYZWXRFKMCPGOI-GFCCVEGCSA-N 1 0 209.720 3.448 10 0 BGAERO Cc1cc(Cl)cc([C@@H]([NH3+])CC2CC2)c1 ZINC000163289286 371965925 /nfs/dbraw/zinc/96/59/25/371965925.db2.gz QYZWXRFKMCPGOI-LBPRGKRZSA-N 1 0 209.720 3.448 10 0 BGAERO CSc1ccccc1[C@H]([NH3+])C1CCC1 ZINC000163291452 371965734 /nfs/dbraw/zinc/96/57/34/371965734.db2.gz PBCAQQNXKKFAQX-GFCCVEGCSA-N 1 0 207.342 3.208 10 0 BGAERO CSc1ccccc1[C@@H]([NH3+])C1CCC1 ZINC000163291534 371965868 /nfs/dbraw/zinc/96/58/68/371965868.db2.gz PBCAQQNXKKFAQX-LBPRGKRZSA-N 1 0 207.342 3.208 10 0 BGAERO CC[C@](C)([NH3+])Cc1ccc(Cl)cc1F ZINC000163291703 371968213 /nfs/dbraw/zinc/96/82/13/371968213.db2.gz KZOWNFJAQDZZKS-NSHDSACASA-N 1 0 215.699 3.149 10 0 BGAERO CC[C@@](C)([NH3+])Cc1ccc(Cl)cc1F ZINC000163291817 371967994 /nfs/dbraw/zinc/96/79/94/371967994.db2.gz KZOWNFJAQDZZKS-LLVKDONJSA-N 1 0 215.699 3.149 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1cccc2c1NCCC2 ZINC000163295771 636399753 /nfs/dbraw/zinc/39/97/53/636399753.db2.gz WBWQIZJEEIJFFX-GFCCVEGCSA-N 1 0 232.371 3.179 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1cccc2c1NCCC2 ZINC000163295882 636400126 /nfs/dbraw/zinc/40/01/26/636400126.db2.gz WBWQIZJEEIJFFX-LBPRGKRZSA-N 1 0 232.371 3.179 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000163335033 487712865 /nfs/dbraw/zinc/71/28/65/487712865.db2.gz PQYHACCHUMGXKI-VNQPRFMTSA-N 1 0 247.382 3.278 10 0 BGAERO CC[C@@H]([NH2+]C[C@H]1CCC[C@H](O)C1)c1ccccc1 ZINC000163335266 487713048 /nfs/dbraw/zinc/71/30/48/487713048.db2.gz PQYHACCHUMGXKI-CWRNSKLLSA-N 1 0 247.382 3.278 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCCC2CC2)c1C ZINC000163346358 326400584 /nfs/dbraw/zinc/40/05/84/326400584.db2.gz OQNHCHHOUPGWQG-LLVKDONJSA-N 1 0 249.402 3.361 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CCCC2CC2)c1C ZINC000163346449 388360661 /nfs/dbraw/zinc/36/06/61/388360661.db2.gz OQNHCHHOUPGWQG-NSHDSACASA-N 1 0 249.402 3.361 10 0 BGAERO FC1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000163355363 384790721 /nfs/dbraw/zinc/79/07/21/384790721.db2.gz ABMKJTHWFVXSEP-FUNVUKJBSA-N 1 0 239.721 3.419 10 0 BGAERO FC1(c2ccccc2Cl)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000163359695 384791307 /nfs/dbraw/zinc/79/13/07/384791307.db2.gz BVDNWSZJLSFDOZ-HWYHXSKPSA-N 1 0 239.721 3.419 10 0 BGAERO FC1(c2cccc(Cl)c2)C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000163374366 384796236 /nfs/dbraw/zinc/79/62/36/384796236.db2.gz SCDOLSIJEFEUAT-FUNVUKJBSA-N 1 0 239.721 3.419 10 0 BGAERO C[C@H]([C@H]([NH3+])c1ccc(Cl)cc1)C1CC1 ZINC000163411801 371991192 /nfs/dbraw/zinc/99/11/92/371991192.db2.gz VFQMQRQHJZDSMI-UFBFGSQYSA-N 1 0 209.720 3.386 10 0 BGAERO C[C@@H]([C@H]([NH3+])c1ccc(Cl)cc1)C1CC1 ZINC000163411929 371991514 /nfs/dbraw/zinc/99/15/14/371991514.db2.gz VFQMQRQHJZDSMI-PELKAZGASA-N 1 0 209.720 3.386 10 0 BGAERO C[C@H]([C@@H]([NH3+])c1ccc(Cl)cc1)C1CC1 ZINC000163412054 371991453 /nfs/dbraw/zinc/99/14/53/371991453.db2.gz VFQMQRQHJZDSMI-QPUJVOFHSA-N 1 0 209.720 3.386 10 0 BGAERO C[C@@H]([C@@H]([NH3+])c1ccc(Cl)cc1)C1CC1 ZINC000163412179 371991670 /nfs/dbraw/zinc/99/16/70/371991670.db2.gz VFQMQRQHJZDSMI-PRHODGIISA-N 1 0 209.720 3.386 10 0 BGAERO C[C@H]([C@H]([NH3+])c1ccc(Cl)s1)C1CC1 ZINC000163429381 371993211 /nfs/dbraw/zinc/99/32/11/371993211.db2.gz RLCFKQWFZRPGSL-WKEGUHRASA-N 1 0 215.749 3.447 10 0 BGAERO C[C@H]([C@@H]([NH3+])c1ccc(Cl)s1)C1CC1 ZINC000163429578 346560956 /nfs/dbraw/zinc/56/09/56/346560956.db2.gz RLCFKQWFZRPGSL-QUBYGPBYSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]([C@@H]([NH3+])c1ccc(Cl)s1)C1CC1 ZINC000163429681 346561034 /nfs/dbraw/zinc/56/10/34/346561034.db2.gz RLCFKQWFZRPGSL-LHLIQPBNSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@]1([C@H]([NH3+])c2ccsc2)CCCS1 ZINC000163440842 411182736 /nfs/dbraw/zinc/18/27/36/411182736.db2.gz UXZJFPVITJZNQB-NXEZZACHSA-N 1 0 213.371 3.034 10 0 BGAERO C[C@@]1([C@H]([NH3+])c2ccsc2)CCCS1 ZINC000163440959 411182892 /nfs/dbraw/zinc/18/28/92/411182892.db2.gz UXZJFPVITJZNQB-ZJUUUORDSA-N 1 0 213.371 3.034 10 0 BGAERO C[C@]1([C@@H]([NH3+])c2ccsc2)CCCS1 ZINC000163441071 411182928 /nfs/dbraw/zinc/18/29/28/411182928.db2.gz UXZJFPVITJZNQB-VHSXEESVSA-N 1 0 213.371 3.034 10 0 BGAERO C[C@@]1([C@@H]([NH3+])c2ccsc2)CCCS1 ZINC000163441185 411182961 /nfs/dbraw/zinc/18/29/61/411182961.db2.gz UXZJFPVITJZNQB-UWVGGRQHSA-N 1 0 213.371 3.034 10 0 BGAERO CCc1c2cccc(F)c2sc1C[NH3+] ZINC000163446218 371994846 /nfs/dbraw/zinc/99/48/46/371994846.db2.gz FHGRKQDLXHLXGN-UHFFFAOYSA-N 1 0 209.289 3.062 10 0 BGAERO C[NH2+][C@H](c1ccsc1)[C@@]1(C)CCCS1 ZINC000163452126 371996642 /nfs/dbraw/zinc/99/66/42/371996642.db2.gz JJFHJYRPPDTGSD-GHMZBOCLSA-N 1 0 227.398 3.294 10 0 BGAERO C[NH2+][C@H](c1ccsc1)[C@]1(C)CCCS1 ZINC000163452245 346561039 /nfs/dbraw/zinc/56/10/39/346561039.db2.gz JJFHJYRPPDTGSD-MNOVXSKESA-N 1 0 227.398 3.294 10 0 BGAERO C[NH2+][C@@H](c1ccsc1)[C@@]1(C)CCCS1 ZINC000163452368 346561090 /nfs/dbraw/zinc/56/10/90/346561090.db2.gz JJFHJYRPPDTGSD-WDEREUQCSA-N 1 0 227.398 3.294 10 0 BGAERO C[NH2+][C@@H](c1ccsc1)[C@]1(C)CCCS1 ZINC000163452497 371996737 /nfs/dbraw/zinc/99/67/37/371996737.db2.gz JJFHJYRPPDTGSD-QWRGUYRKSA-N 1 0 227.398 3.294 10 0 BGAERO c1ccc2c(c1)nccc2[C@@H]1CCCCC[NH2+]1 ZINC000163474604 372000165 /nfs/dbraw/zinc/00/01/65/372000165.db2.gz LCULQOPBXWJNCJ-HNNXBMFYSA-N 1 0 226.323 3.440 10 0 BGAERO c1ccc2c(c1)nccc2[C@H]1CCCCC[NH2+]1 ZINC000163474727 371999991 /nfs/dbraw/zinc/99/99/91/371999991.db2.gz LCULQOPBXWJNCJ-OAHLLOKOSA-N 1 0 226.323 3.440 10 0 BGAERO c1ccc2c(c1)ccnc2[C@@H]1CCCCC[NH2+]1 ZINC000163474854 372000564 /nfs/dbraw/zinc/00/05/64/372000564.db2.gz FMGCXYHXQHNXCS-AWEZNQCLSA-N 1 0 226.323 3.440 10 0 BGAERO c1ccc2c(c1)ccnc2[C@H]1CCCCC[NH2+]1 ZINC000163474981 372000453 /nfs/dbraw/zinc/00/04/53/372000453.db2.gz FMGCXYHXQHNXCS-CQSZACIVSA-N 1 0 226.323 3.440 10 0 BGAERO CCSCC[NH2+][C@@H](C)c1cccc(C)c1 ZINC000163539194 134989049 /nfs/dbraw/zinc/98/90/49/134989049.db2.gz STBBMSGFABTUKE-LBPRGKRZSA-N 1 0 223.385 3.399 10 0 BGAERO C[C@H]([C@H]([NH3+])c1ccc(Br)o1)C1CC1 ZINC000163547301 372010711 /nfs/dbraw/zinc/01/07/11/372010711.db2.gz BRTLMFGHCDEWSO-WKEGUHRASA-N 1 0 244.132 3.088 10 0 BGAERO C[C@@H]([C@H]([NH3+])c1ccc(Br)o1)C1CC1 ZINC000163547382 372010202 /nfs/dbraw/zinc/01/02/02/372010202.db2.gz BRTLMFGHCDEWSO-LDWIPMOCSA-N 1 0 244.132 3.088 10 0 BGAERO C[C@H]([C@@H]([NH3+])c1ccc(Br)o1)C1CC1 ZINC000163547448 372011196 /nfs/dbraw/zinc/01/11/96/372011196.db2.gz BRTLMFGHCDEWSO-QUBYGPBYSA-N 1 0 244.132 3.088 10 0 BGAERO C[C@@H]([C@@H]([NH3+])c1ccc(Br)o1)C1CC1 ZINC000163547541 372010604 /nfs/dbraw/zinc/01/06/04/372010604.db2.gz BRTLMFGHCDEWSO-LHLIQPBNSA-N 1 0 244.132 3.088 10 0 BGAERO CC(C)(C)[C@@](F)(C[NH3+])C1CCCCC1 ZINC000163558979 372012196 /nfs/dbraw/zinc/01/21/96/372012196.db2.gz ARZWUJHQYIRXPN-GFCCVEGCSA-N 1 0 201.329 3.280 10 0 BGAERO CC(C)(C)[C@](F)(C[NH3+])C1CCCCC1 ZINC000163559111 346566038 /nfs/dbraw/zinc/56/60/38/346566038.db2.gz ARZWUJHQYIRXPN-LBPRGKRZSA-N 1 0 201.329 3.280 10 0 BGAERO CC[C@H]([NH2+]Cc1cccnc1C)C(C)(C)C ZINC000163913966 372077551 /nfs/dbraw/zinc/07/75/51/372077551.db2.gz QPZJLBBILSJSTI-ZDUSSCGKSA-N 1 0 220.360 3.304 10 0 BGAERO CC[C@@H]([NH2+]Cc1cccnc1C)C(C)(C)C ZINC000163914065 372077654 /nfs/dbraw/zinc/07/76/54/372077654.db2.gz QPZJLBBILSJSTI-CYBMUJFWSA-N 1 0 220.360 3.304 10 0 BGAERO CC[C@H]([NH2+]Cc1cscn1)C(C)(C)C ZINC000163914187 135208638 /nfs/dbraw/zinc/20/86/38/135208638.db2.gz RTJWCEJXOMMTOH-JTQLQIEISA-N 1 0 212.362 3.057 10 0 BGAERO CC[C@@H]([NH2+]Cc1cscn1)C(C)(C)C ZINC000163914299 535806416 /nfs/dbraw/zinc/80/64/16/535806416.db2.gz RTJWCEJXOMMTOH-SNVBAGLBSA-N 1 0 212.362 3.057 10 0 BGAERO CC[C@H]([NH2+]Cc1cnc(C)s1)C(C)(C)C ZINC000163914863 388099392 /nfs/dbraw/zinc/09/93/92/388099392.db2.gz KAFCQAHZRFWGPE-NSHDSACASA-N 1 0 226.389 3.366 10 0 BGAERO CC[C@@H]([NH2+]Cc1cnc(C)s1)C(C)(C)C ZINC000163914965 361654321 /nfs/dbraw/zinc/65/43/21/361654321.db2.gz KAFCQAHZRFWGPE-LLVKDONJSA-N 1 0 226.389 3.366 10 0 BGAERO CC[C@H]([NH2+]C1CCSCC1)C(C)(C)C ZINC000163916482 388099162 /nfs/dbraw/zinc/09/91/62/388099162.db2.gz BPWKQHXUUYMPGT-NSHDSACASA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@@H]([NH2+]C1CCSCC1)C(C)(C)C ZINC000163916573 388099016 /nfs/dbraw/zinc/09/90/16/388099016.db2.gz BPWKQHXUUYMPGT-LLVKDONJSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@H]([NH2+]Cc1csc(C)n1)C(C)(C)C ZINC000163916721 372077724 /nfs/dbraw/zinc/07/77/24/372077724.db2.gz NKRQIGZIYXTELQ-NSHDSACASA-N 1 0 226.389 3.366 10 0 BGAERO CC[C@@H]([NH2+]Cc1csc(C)n1)C(C)(C)C ZINC000163916814 372077682 /nfs/dbraw/zinc/07/76/82/372077682.db2.gz NKRQIGZIYXTELQ-LLVKDONJSA-N 1 0 226.389 3.366 10 0 BGAERO CC[C@H]([NH2+]Cc1cccc(O)c1)C(C)(C)C ZINC000163919959 388098817 /nfs/dbraw/zinc/09/88/17/388098817.db2.gz OZXLHPNGSNGHFK-ZDUSSCGKSA-N 1 0 221.344 3.307 10 0 BGAERO CC[C@@H]([NH2+]Cc1cccc(O)c1)C(C)(C)C ZINC000163920070 388098767 /nfs/dbraw/zinc/09/87/67/388098767.db2.gz OZXLHPNGSNGHFK-CYBMUJFWSA-N 1 0 221.344 3.307 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)s1 ZINC000164011260 397789103 /nfs/dbraw/zinc/78/91/03/397789103.db2.gz XGIASODMEYYRKN-PWSUYJOCSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)s1 ZINC000164011368 397789081 /nfs/dbraw/zinc/78/90/81/397789081.db2.gz XGIASODMEYYRKN-JQWIXIFHSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)s1 ZINC000164011487 397789575 /nfs/dbraw/zinc/78/95/75/397789575.db2.gz XGIASODMEYYRKN-ZYHUDNBSSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)s1 ZINC000164011604 397789205 /nfs/dbraw/zinc/78/92/05/397789205.db2.gz XGIASODMEYYRKN-CMPLNLGQSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000164011760 345781908 /nfs/dbraw/zinc/78/19/08/345781908.db2.gz ZTYVUMDQVLREPB-HIFRSBDPSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000164011836 345782173 /nfs/dbraw/zinc/78/21/73/345782173.db2.gz ZTYVUMDQVLREPB-ZFWWWQNUSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1cc(C)cc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000164011894 345782103 /nfs/dbraw/zinc/78/21/03/345782103.db2.gz ZTYVUMDQVLREPB-UKRRQHHQSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000164012024 345781782 /nfs/dbraw/zinc/78/17/82/345781782.db2.gz ZTYVUMDQVLREPB-DZGCQCFKSA-N 1 0 249.398 3.361 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1 ZINC000164022632 202841600 /nfs/dbraw/zinc/84/16/00/202841600.db2.gz DLJIRPRNKSULMU-DOMZBBRYSA-N 1 0 249.398 3.307 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1 ZINC000164022746 388133361 /nfs/dbraw/zinc/13/33/61/388133361.db2.gz DLJIRPRNKSULMU-WFASDCNBSA-N 1 0 249.398 3.307 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000164022859 388133007 /nfs/dbraw/zinc/13/30/07/388133007.db2.gz DLJIRPRNKSULMU-IUODEOHRSA-N 1 0 249.398 3.307 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1 ZINC000164022968 388133014 /nfs/dbraw/zinc/13/30/14/388133014.db2.gz DLJIRPRNKSULMU-SWLSCSKDSA-N 1 0 249.398 3.307 10 0 BGAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000164035123 538931509 /nfs/dbraw/zinc/93/15/09/538931509.db2.gz JHXFGPVNYDSPOB-HIFRSBDPSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000164035226 538931236 /nfs/dbraw/zinc/93/12/36/538931236.db2.gz JHXFGPVNYDSPOB-ZFWWWQNUSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000164035332 538931435 /nfs/dbraw/zinc/93/14/35/538931435.db2.gz JHXFGPVNYDSPOB-UKRRQHHQSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000164035441 538931510 /nfs/dbraw/zinc/93/15/10/538931510.db2.gz JHXFGPVNYDSPOB-DZGCQCFKSA-N 1 0 249.398 3.361 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000164038320 388135957 /nfs/dbraw/zinc/13/59/57/388135957.db2.gz WKTXAUCQAYDUHJ-STQMWFEESA-N 1 0 227.392 3.118 10 0 BGAERO CC(C)=CCC[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000164038424 202847407 /nfs/dbraw/zinc/84/74/07/202847407.db2.gz WKTXAUCQAYDUHJ-OLZOCXBDSA-N 1 0 227.392 3.118 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000164038537 388135964 /nfs/dbraw/zinc/13/59/64/388135964.db2.gz WKTXAUCQAYDUHJ-QWHCGFSZSA-N 1 0 227.392 3.118 10 0 BGAERO CC(C)=CCC[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000164038653 388136002 /nfs/dbraw/zinc/13/60/02/388136002.db2.gz WKTXAUCQAYDUHJ-CHWSQXEVSA-N 1 0 227.392 3.118 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1C ZINC000164047090 538931308 /nfs/dbraw/zinc/93/13/08/538931308.db2.gz IINIESDAYNQEIG-HIFRSBDPSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)cc1C ZINC000164047175 538931232 /nfs/dbraw/zinc/93/12/32/538931232.db2.gz IINIESDAYNQEIG-ZFWWWQNUSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1C ZINC000164047258 538931314 /nfs/dbraw/zinc/93/13/14/538931314.db2.gz IINIESDAYNQEIG-UKRRQHHQSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cc1C ZINC000164047323 538931513 /nfs/dbraw/zinc/93/15/13/538931513.db2.gz IINIESDAYNQEIG-DZGCQCFKSA-N 1 0 249.398 3.361 10 0 BGAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccs1 ZINC000164048089 388138544 /nfs/dbraw/zinc/13/85/44/388138544.db2.gz OUMCYVVXMXSQEZ-JQWIXIFHSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccs1 ZINC000164048203 202851639 /nfs/dbraw/zinc/85/16/39/202851639.db2.gz OUMCYVVXMXSQEZ-PWSUYJOCSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccs1 ZINC000164048319 202851183 /nfs/dbraw/zinc/85/11/83/202851183.db2.gz OUMCYVVXMXSQEZ-CMPLNLGQSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccs1 ZINC000164048426 388138106 /nfs/dbraw/zinc/13/81/06/388138106.db2.gz OUMCYVVXMXSQEZ-ZYHUDNBSSA-N 1 0 241.400 3.196 10 0 BGAERO Cc1ccsc1[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000164050235 397791016 /nfs/dbraw/zinc/79/10/16/397791016.db2.gz DOJGJRSEGPFLLU-MNOVXSKESA-N 1 0 241.400 3.114 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000164050343 397791297 /nfs/dbraw/zinc/79/12/97/397791297.db2.gz DOJGJRSEGPFLLU-QWRGUYRKSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1ccsc1[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000164050458 179552169 /nfs/dbraw/zinc/55/21/69/179552169.db2.gz DOJGJRSEGPFLLU-GHMZBOCLSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000164050563 397791240 /nfs/dbraw/zinc/79/12/40/397791240.db2.gz DOJGJRSEGPFLLU-WDEREUQCSA-N 1 0 241.400 3.114 10 0 BGAERO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@H](O)C(C)(C)C ZINC000164075055 384904519 /nfs/dbraw/zinc/90/45/19/384904519.db2.gz FGWDEHHYKNEFGT-XQQFMLRXSA-N 1 0 229.408 3.198 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+]C[C@H](O)C(C)(C)C ZINC000164075300 388148036 /nfs/dbraw/zinc/14/80/36/388148036.db2.gz FGWDEHHYKNEFGT-AVGNSLFASA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(F)c1 ZINC000164079874 135213066 /nfs/dbraw/zinc/21/30/66/135213066.db2.gz DJDIQDJGRWAUOJ-TVYUQYBPSA-N 1 0 207.292 3.275 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(F)c1 ZINC000164080090 135213560 /nfs/dbraw/zinc/21/35/60/135213560.db2.gz DJDIQDJGRWAUOJ-XDTLVQLUSA-N 1 0 207.292 3.275 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c(C)c1 ZINC000164081209 538931501 /nfs/dbraw/zinc/93/15/01/538931501.db2.gz RWQSGLSVOXKGLM-HIFRSBDPSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c(C)c1 ZINC000164081316 538931224 /nfs/dbraw/zinc/93/12/24/538931224.db2.gz RWQSGLSVOXKGLM-ZFWWWQNUSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c(C)c1 ZINC000164081414 538931355 /nfs/dbraw/zinc/93/13/55/538931355.db2.gz RWQSGLSVOXKGLM-UKRRQHHQSA-N 1 0 249.398 3.361 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c(C)c1 ZINC000164081523 538931383 /nfs/dbraw/zinc/93/13/83/538931383.db2.gz RWQSGLSVOXKGLM-DZGCQCFKSA-N 1 0 249.398 3.361 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000164092186 202872606 /nfs/dbraw/zinc/87/26/06/202872606.db2.gz NTOUFDOHOIIDKT-HUUCEWRRSA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCc2ccccc21 ZINC000164092294 388151862 /nfs/dbraw/zinc/15/18/62/388151862.db2.gz NTOUFDOHOIIDKT-CABCVRRESA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000164092411 388151398 /nfs/dbraw/zinc/15/13/98/388151398.db2.gz NTOUFDOHOIIDKT-LSDHHAIUSA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCc2ccccc21 ZINC000164092523 388151886 /nfs/dbraw/zinc/15/18/86/388151886.db2.gz NTOUFDOHOIIDKT-GJZGRUSLSA-N 1 0 247.382 3.061 10 0 BGAERO Cc1sc([C@@H](C)[NH3+])nc1-c1cccc(F)c1 ZINC000164097391 135214361 /nfs/dbraw/zinc/21/43/61/135214361.db2.gz MVPNXZBWVHXVFZ-SSDOTTSWSA-N 1 0 236.315 3.277 10 0 BGAERO CC[C@H]([NH2+]Cc1nc(C)cs1)C(C)(C)C ZINC000164135645 386584858 /nfs/dbraw/zinc/58/48/58/386584858.db2.gz LTAPJFMXEYKMIP-JTQLQIEISA-N 1 0 226.389 3.366 10 0 BGAERO CC[C@@H]([NH2+]Cc1nc(C)cs1)C(C)(C)C ZINC000164135764 361693661 /nfs/dbraw/zinc/69/36/61/361693661.db2.gz LTAPJFMXEYKMIP-SNVBAGLBSA-N 1 0 226.389 3.366 10 0 BGAERO CC1([C@H]([NH3+])c2cc(F)ccc2Cl)CC1 ZINC000164454342 346605669 /nfs/dbraw/zinc/60/56/69/346605669.db2.gz PLZKJJAZWWYFFC-SNVBAGLBSA-N 1 0 213.683 3.279 10 0 BGAERO CC1([C@@H]([NH3+])c2cc(F)ccc2Cl)CC1 ZINC000164454422 346605550 /nfs/dbraw/zinc/60/55/50/346605550.db2.gz PLZKJJAZWWYFFC-JTQLQIEISA-N 1 0 213.683 3.279 10 0 BGAERO C[C@@H]([NH3+])C[C@H](C)c1cc(F)ccc1Cl ZINC000164502918 346607398 /nfs/dbraw/zinc/60/73/98/346607398.db2.gz QQAUECBSVHBXDA-JGVFFNPUSA-N 1 0 215.699 3.320 10 0 BGAERO C[C@@H]([NH3+])C[C@@H](C)c1cc(F)ccc1Cl ZINC000164503049 346607648 /nfs/dbraw/zinc/60/76/48/346607648.db2.gz QQAUECBSVHBXDA-HTQZYQBOSA-N 1 0 215.699 3.320 10 0 BGAERO C[C@H]([NH3+])C[C@H](C)c1cc(F)ccc1Cl ZINC000164503168 346607590 /nfs/dbraw/zinc/60/75/90/346607590.db2.gz QQAUECBSVHBXDA-YUMQZZPRSA-N 1 0 215.699 3.320 10 0 BGAERO C[C@H](C[C@H](C)[NH3+])c1cc(F)ccc1Cl ZINC000164503289 346607273 /nfs/dbraw/zinc/60/72/73/346607273.db2.gz QQAUECBSVHBXDA-SFYZADRCSA-N 1 0 215.699 3.320 10 0 BGAERO CC[C@H]([NH2+]Cc1scnc1C)C(C)(C)C ZINC000164520178 135389018 /nfs/dbraw/zinc/38/90/18/135389018.db2.gz WEVYDCQTWKDOEP-NSHDSACASA-N 1 0 226.389 3.366 10 0 BGAERO CC[C@@H]([NH2+]Cc1scnc1C)C(C)(C)C ZINC000164520311 135388663 /nfs/dbraw/zinc/38/86/63/135388663.db2.gz WEVYDCQTWKDOEP-LLVKDONJSA-N 1 0 226.389 3.366 10 0 BGAERO CC(C)(CC[NH3+])c1cc(F)ccc1Cl ZINC000164535802 346608259 /nfs/dbraw/zinc/60/82/59/346608259.db2.gz HUGWENODLPZQIT-UHFFFAOYSA-N 1 0 215.699 3.106 10 0 BGAERO C[C@@H](C[NH3+])[C@@H](C)c1cc(F)ccc1Cl ZINC000164535949 345783010 /nfs/dbraw/zinc/78/30/10/345783010.db2.gz PFVUXFOTXHXWEX-JGVFFNPUSA-N 1 0 215.699 3.177 10 0 BGAERO C[C@@H](c1cc(F)ccc1Cl)[C@H](C)C[NH3+] ZINC000164536044 346608332 /nfs/dbraw/zinc/60/83/32/346608332.db2.gz PFVUXFOTXHXWEX-HTQZYQBOSA-N 1 0 215.699 3.177 10 0 BGAERO C[C@@H](C[NH3+])[C@H](C)c1cc(F)ccc1Cl ZINC000164536124 346608106 /nfs/dbraw/zinc/60/81/06/346608106.db2.gz PFVUXFOTXHXWEX-YUMQZZPRSA-N 1 0 215.699 3.177 10 0 BGAERO C[C@H](C[NH3+])[C@H](C)c1cc(F)ccc1Cl ZINC000164536189 346608333 /nfs/dbraw/zinc/60/83/33/346608333.db2.gz PFVUXFOTXHXWEX-SFYZADRCSA-N 1 0 215.699 3.177 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1ccnc2ccccc21 ZINC000164622322 346613508 /nfs/dbraw/zinc/61/35/08/346613508.db2.gz OWBUVXFJTSULDJ-YGRLFVJLSA-N 1 0 214.312 3.281 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1ccnc2ccccc21 ZINC000164622449 346613463 /nfs/dbraw/zinc/61/34/63/346613463.db2.gz OWBUVXFJTSULDJ-HZMBPMFUSA-N 1 0 214.312 3.281 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000164622580 346613466 /nfs/dbraw/zinc/61/34/66/346613466.db2.gz OWBUVXFJTSULDJ-QMTHXVAHSA-N 1 0 214.312 3.281 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1ccnc2ccccc21 ZINC000164622683 346613465 /nfs/dbraw/zinc/61/34/65/346613465.db2.gz OWBUVXFJTSULDJ-IINYFYTJSA-N 1 0 214.312 3.281 10 0 BGAERO [NH3+][C@@H](c1ccc(Cl)s1)[C@@H]1CCSC1 ZINC000164720545 346620112 /nfs/dbraw/zinc/62/01/12/346620112.db2.gz YSHCYPQGJKFMPG-HZGVNTEJSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@H](c1ccc(Cl)s1)[C@@H]1CCSC1 ZINC000164720657 346620234 /nfs/dbraw/zinc/62/02/34/346620234.db2.gz YSHCYPQGJKFMPG-MUWHJKNJSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@@H](c1ccc(Cl)s1)[C@H]1CCSC1 ZINC000164720772 346620161 /nfs/dbraw/zinc/62/01/61/346620161.db2.gz YSHCYPQGJKFMPG-IMTBSYHQSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@H](c1ccc(Cl)s1)[C@H]1CCSC1 ZINC000164720891 346620482 /nfs/dbraw/zinc/62/04/82/346620482.db2.gz YSHCYPQGJKFMPG-RCOVLWMOSA-N 1 0 233.789 3.154 10 0 BGAERO CC(=O)SCC1([NH2+]C2CCCC2)CCCC1 ZINC000164831699 346628473 /nfs/dbraw/zinc/62/84/73/346628473.db2.gz XWJPHVIFPQWASO-UHFFFAOYSA-N 1 0 241.400 3.111 10 0 BGAERO CC[C@H]([NH3+])Cc1ccc(C)c(Br)c1 ZINC000164875770 342853432 /nfs/dbraw/zinc/85/34/32/342853432.db2.gz KGPHMGYEIBHYJT-JTQLQIEISA-N 1 0 242.160 3.037 10 0 BGAERO CC[C@@H]([NH3+])Cc1ccc(C)c(Br)c1 ZINC000164875897 346630436 /nfs/dbraw/zinc/63/04/36/346630436.db2.gz KGPHMGYEIBHYJT-SNVBAGLBSA-N 1 0 242.160 3.037 10 0 BGAERO CCOC(=N)c1ccc(C)c(Br)c1 ZINC000164933334 342858879 /nfs/dbraw/zinc/85/88/79/342858879.db2.gz WAYLVGHTTZOZHT-UHFFFAOYSA-N 1 0 242.116 3.119 10 0 BGAERO CCC(C)(C)NC1=[NH+][C@H](C)C[C@H](C)S1 ZINC000164941043 342859288 /nfs/dbraw/zinc/85/92/88/342859288.db2.gz GYWCJJKHWCCUKD-BDAKNGLRSA-N 1 0 214.378 3.035 10 0 BGAERO CCC(C)(C)NC1=[NH+][C@@H](C)C[C@H](C)S1 ZINC000164941172 342859225 /nfs/dbraw/zinc/85/92/25/342859225.db2.gz GYWCJJKHWCCUKD-IUCAKERBSA-N 1 0 214.378 3.035 10 0 BGAERO CCC(C)(C)NC1=[NH+][C@H](C)C[C@@H](C)S1 ZINC000164941294 342859207 /nfs/dbraw/zinc/85/92/07/342859207.db2.gz GYWCJJKHWCCUKD-RKDXNWHRSA-N 1 0 214.378 3.035 10 0 BGAERO CCC(C)(C)NC1=[NH+][C@@H](C)C[C@@H](C)S1 ZINC000164941424 342859305 /nfs/dbraw/zinc/85/93/05/342859305.db2.gz GYWCJJKHWCCUKD-DTWKUNHWSA-N 1 0 214.378 3.035 10 0 BGAERO CCC(CC)NC1=[NH+][C@H](C)C[C@H](C)S1 ZINC000164945527 342860609 /nfs/dbraw/zinc/86/06/09/342860609.db2.gz OMCLGONVAJRGOV-BDAKNGLRSA-N 1 0 214.378 3.035 10 0 BGAERO CCC(CC)NC1=[NH+][C@@H](C)C[C@H](C)S1 ZINC000164945651 342860555 /nfs/dbraw/zinc/86/05/55/342860555.db2.gz OMCLGONVAJRGOV-IUCAKERBSA-N 1 0 214.378 3.035 10 0 BGAERO CCC(CC)NC1=[NH+][C@H](C)C[C@@H](C)S1 ZINC000164945770 342860607 /nfs/dbraw/zinc/86/06/07/342860607.db2.gz OMCLGONVAJRGOV-RKDXNWHRSA-N 1 0 214.378 3.035 10 0 BGAERO CCC(CC)NC1=[NH+][C@@H](C)C[C@@H](C)S1 ZINC000164945892 342860623 /nfs/dbraw/zinc/86/06/23/342860623.db2.gz OMCLGONVAJRGOV-DTWKUNHWSA-N 1 0 214.378 3.035 10 0 BGAERO C[C@@H]1C[C@H](C)SC(NCc2ccccc2)=[NH+]1 ZINC000164949893 342860591 /nfs/dbraw/zinc/86/05/91/342860591.db2.gz VAMGKSHIJDWVLU-MNOVXSKESA-N 1 0 234.368 3.046 10 0 BGAERO C[C@@H]1C[C@@H](C)SC(NCc2ccccc2)=[NH+]1 ZINC000164950140 342860566 /nfs/dbraw/zinc/86/05/66/342860566.db2.gz VAMGKSHIJDWVLU-GHMZBOCLSA-N 1 0 234.368 3.046 10 0 BGAERO Cc1ccc(C[NH3+])cc1-c1ccsc1 ZINC000164953206 342859665 /nfs/dbraw/zinc/85/96/65/342859665.db2.gz GGVPUOFFMXQYDT-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO COC[C@H](C)[NH2+][C@@H](C)CCC1CCCCC1 ZINC000165003180 342866186 /nfs/dbraw/zinc/86/61/86/342866186.db2.gz GYDYMOXUGUESGO-STQMWFEESA-N 1 0 227.392 3.360 10 0 BGAERO COC[C@H](C)[NH2+][C@H](C)CCC1CCCCC1 ZINC000165003304 342865982 /nfs/dbraw/zinc/86/59/82/342865982.db2.gz GYDYMOXUGUESGO-OLZOCXBDSA-N 1 0 227.392 3.360 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H]1c1cccc(F)c1 ZINC000165019057 343547318 /nfs/dbraw/zinc/54/73/18/343547318.db2.gz VSJBLUSPSMMSDH-CYBMUJFWSA-N 1 0 207.292 3.371 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H]1c1cccc(F)c1 ZINC000165019184 342868660 /nfs/dbraw/zinc/86/86/60/342868660.db2.gz VSJBLUSPSMMSDH-ZDUSSCGKSA-N 1 0 207.292 3.371 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000165022275 323140871 /nfs/dbraw/zinc/14/08/71/323140871.db2.gz NACPYTGKZRIXHC-DGCLKSJQSA-N 1 0 207.292 3.104 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000165023456 527832021 /nfs/dbraw/zinc/83/20/21/527832021.db2.gz WHQAQYQITFOYCN-SCZZXKLOSA-N 1 0 213.708 3.211 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000165023571 528427496 /nfs/dbraw/zinc/42/74/96/528427496.db2.gz WHQAQYQITFOYCN-WPRPVWTQSA-N 1 0 213.708 3.211 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000165023698 527866485 /nfs/dbraw/zinc/86/64/85/527866485.db2.gz WHQAQYQITFOYCN-PSASIEDQSA-N 1 0 213.708 3.211 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(Cl)o1 ZINC000165023827 528437264 /nfs/dbraw/zinc/43/72/64/528437264.db2.gz WHQAQYQITFOYCN-WCBMZHEXSA-N 1 0 213.708 3.211 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C)cc1 ZINC000165026578 388389807 /nfs/dbraw/zinc/38/98/07/388389807.db2.gz OYBRDTRHBWZWBV-ZIAGYGMSSA-N 1 0 203.329 3.273 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(C)c1 ZINC000165027071 388389822 /nfs/dbraw/zinc/38/98/22/388389822.db2.gz FOPVRHYNYYQONQ-ZIAGYGMSSA-N 1 0 203.329 3.273 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccnc1Cl ZINC000165030344 386495638 /nfs/dbraw/zinc/49/56/38/386495638.db2.gz ZVRZTAPHFTZUBP-MWLCHTKSSA-N 1 0 224.735 3.013 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000165035099 388250522 /nfs/dbraw/zinc/25/05/22/388250522.db2.gz FQXHCHCYCVBQAA-PWSUYJOCSA-N 1 0 236.384 3.299 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000165035212 388250070 /nfs/dbraw/zinc/25/00/70/388250070.db2.gz FQXHCHCYCVBQAA-JQWIXIFHSA-N 1 0 236.384 3.299 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000165035343 535494986 /nfs/dbraw/zinc/49/49/86/535494986.db2.gz FQXHCHCYCVBQAA-ZYHUDNBSSA-N 1 0 236.384 3.299 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1csc(C2CC2)n1 ZINC000165035459 388250259 /nfs/dbraw/zinc/25/02/59/388250259.db2.gz FQXHCHCYCVBQAA-CMPLNLGQSA-N 1 0 236.384 3.299 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1C ZINC000165037762 326419168 /nfs/dbraw/zinc/41/91/68/326419168.db2.gz QFEVRKNZZXOKBU-TZMCWYRMSA-N 1 0 203.329 3.273 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000165039696 326419025 /nfs/dbraw/zinc/41/90/25/326419025.db2.gz AZSAKGSZABVABO-NOZJJQNGSA-N 1 0 225.282 3.243 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000165041915 326419049 /nfs/dbraw/zinc/41/90/49/326419049.db2.gz ZHOZURWINQNKAO-DGCLKSJQSA-N 1 0 207.292 3.104 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1c(F)cccc1F ZINC000165042321 326419086 /nfs/dbraw/zinc/41/90/86/326419086.db2.gz PDFWQNSCWLLQRZ-NOZJJQNGSA-N 1 0 225.282 3.243 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1sccc1C ZINC000165043078 388389750 /nfs/dbraw/zinc/38/97/50/388389750.db2.gz MLARUCXCLRABKF-GHMZBOCLSA-N 1 0 209.358 3.335 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C)s1 ZINC000165043441 326419021 /nfs/dbraw/zinc/41/90/21/326419021.db2.gz HZKHACBJPQJWPB-ZYHUDNBSSA-N 1 0 209.358 3.335 10 0 BGAERO CCC1=CC[N@H+](Cc2ccccc2)CC1 ZINC000165046016 385062347 /nfs/dbraw/zinc/06/23/47/385062347.db2.gz QAXKXIJGZOKODH-UHFFFAOYSA-N 1 0 201.313 3.229 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C)c(F)c1 ZINC000165046231 388389426 /nfs/dbraw/zinc/38/94/26/388389426.db2.gz DJPKURXRECBFIV-TZMCWYRMSA-N 1 0 221.319 3.412 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000165049612 388390362 /nfs/dbraw/zinc/39/03/62/388390362.db2.gz YQTMBUQSFMUSHB-NOZJJQNGSA-N 1 0 225.282 3.243 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1F ZINC000165054959 326419013 /nfs/dbraw/zinc/41/90/13/326419013.db2.gz VRIKZSVUNXPJGN-ZWNOBZJWSA-N 1 0 207.292 3.104 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)cc1C ZINC000165057900 388390418 /nfs/dbraw/zinc/39/04/18/388390418.db2.gz AFTNFHRNGSSPPD-BXUZGUMPSA-N 1 0 221.319 3.412 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C/C=C/c1ccccc1 ZINC000165058365 388390970 /nfs/dbraw/zinc/39/09/70/388390970.db2.gz URVSHLFZZIYFDY-ILJFBXALSA-N 1 0 215.340 3.478 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(C)c1 ZINC000165059828 323077484 /nfs/dbraw/zinc/07/74/84/323077484.db2.gz ZENACXOWPLZJME-TZMCWYRMSA-N 1 0 221.319 3.412 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1sc(C)nc1C ZINC000165060030 388250093 /nfs/dbraw/zinc/25/00/93/388250093.db2.gz GAZRRTCGUKXOLZ-MNOVXSKESA-N 1 0 224.373 3.038 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1sc(C)nc1C ZINC000165060151 388250351 /nfs/dbraw/zinc/25/03/51/388250351.db2.gz GAZRRTCGUKXOLZ-QWRGUYRKSA-N 1 0 224.373 3.038 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1sc(C)nc1C ZINC000165060277 388250330 /nfs/dbraw/zinc/25/03/30/388250330.db2.gz GAZRRTCGUKXOLZ-GHMZBOCLSA-N 1 0 224.373 3.038 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1sc(C)nc1C ZINC000165060399 388250672 /nfs/dbraw/zinc/25/06/72/388250672.db2.gz GAZRRTCGUKXOLZ-WDEREUQCSA-N 1 0 224.373 3.038 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C)ccc1F ZINC000165061207 323077437 /nfs/dbraw/zinc/07/74/37/323077437.db2.gz DBUVHCOWHIRYIW-BXUZGUMPSA-N 1 0 221.319 3.412 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000165061699 326419089 /nfs/dbraw/zinc/41/90/89/326419089.db2.gz NZIKUVVSLQEGIA-ZWNOBZJWSA-N 1 0 225.282 3.243 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000165065142 346637563 /nfs/dbraw/zinc/63/75/63/346637563.db2.gz BZGDDMFEBUHUPE-BXKDBHETSA-N 1 0 225.282 3.243 10 0 BGAERO C/C(=C/c1ccc(C)c(Br)c1)C[NH3+] ZINC000165065898 342873594 /nfs/dbraw/zinc/87/35/94/342873594.db2.gz DXKKONOBWASVBU-YVMONPNESA-N 1 0 240.144 3.120 10 0 BGAERO CC[C@H]([NH2+]C)c1cc(Cl)ccc1F ZINC000165130689 342876433 /nfs/dbraw/zinc/87/64/33/342876433.db2.gz PXTGSRIDLOLVEP-JTQLQIEISA-N 1 0 201.672 3.150 10 0 BGAERO CC[C@@H]([NH2+]C)c1cc(Cl)ccc1F ZINC000165130808 342876294 /nfs/dbraw/zinc/87/62/94/342876294.db2.gz PXTGSRIDLOLVEP-SNVBAGLBSA-N 1 0 201.672 3.150 10 0 BGAERO C[NH2+][C@H](c1cc(Cl)ccc1F)C(C)C ZINC000165131690 342877520 /nfs/dbraw/zinc/87/75/20/342877520.db2.gz BQCQNKFKUKNPKE-NSHDSACASA-N 1 0 215.699 3.396 10 0 BGAERO C[NH2+][C@@H](c1cc(Cl)ccc1F)C(C)C ZINC000165131807 342877380 /nfs/dbraw/zinc/87/73/80/342877380.db2.gz BQCQNKFKUKNPKE-LLVKDONJSA-N 1 0 215.699 3.396 10 0 BGAERO CC[C@H]([NH2+]C)c1c(F)cccc1Br ZINC000165162225 342879063 /nfs/dbraw/zinc/87/90/63/342879063.db2.gz YESJJUPTPZNEEV-VIFPVBQESA-N 1 0 246.123 3.259 10 0 BGAERO CC[C@@H]([NH2+]C)c1c(F)cccc1Br ZINC000165162353 342879165 /nfs/dbraw/zinc/87/91/65/342879165.db2.gz YESJJUPTPZNEEV-SECBINFHSA-N 1 0 246.123 3.259 10 0 BGAERO CC[N@H+](Cc1ccccc1)CC(O)(CC)CC ZINC000165199916 206139773 /nfs/dbraw/zinc/13/97/73/206139773.db2.gz CILJIBWISNLDEH-UHFFFAOYSA-N 1 0 235.371 3.060 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2O)c1C ZINC000165239455 388394487 /nfs/dbraw/zinc/39/44/87/388394487.db2.gz KJRGWQSOXAMMFQ-IMJJTQAJSA-N 1 0 247.382 3.258 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000165269314 203382210 /nfs/dbraw/zinc/38/22/10/203382210.db2.gz CDVLMEBYJXZMHG-FQUUOJAGSA-N 1 0 227.392 3.094 10 0 BGAERO CCSc1ccc(Br)cc1C[NH3+] ZINC000165293213 346647355 /nfs/dbraw/zinc/64/73/55/346647355.db2.gz BKKZEERCYJLUQU-UHFFFAOYSA-N 1 0 246.173 3.020 10 0 BGAERO [NH3+][C@@H](c1csc(Br)c1)C1CCC1 ZINC000165345955 342920004 /nfs/dbraw/zinc/92/00/04/342920004.db2.gz KZTXZEQVBPLQMR-SECBINFHSA-N 1 0 246.173 3.311 10 0 BGAERO [NH3+][C@H](c1csc(Br)c1)C1CCC1 ZINC000165346069 342920104 /nfs/dbraw/zinc/92/01/04/342920104.db2.gz KZTXZEQVBPLQMR-VIFPVBQESA-N 1 0 246.173 3.311 10 0 BGAERO CCCC(CCC)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000165352674 203382855 /nfs/dbraw/zinc/38/28/55/203382855.db2.gz OIJZNFYAEHGNOG-TZMCWYRMSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC(CCC)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000165352796 203383611 /nfs/dbraw/zinc/38/36/11/203383611.db2.gz OIJZNFYAEHGNOG-OCCSQVGLSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC(CCC)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000165352924 385115572 /nfs/dbraw/zinc/11/55/72/385115572.db2.gz OIJZNFYAEHGNOG-GXTWGEPZSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC(CCC)[NH2+][C@H]1CCCC[C@H]1CO ZINC000165353044 203383017 /nfs/dbraw/zinc/38/30/17/203383017.db2.gz OIJZNFYAEHGNOG-JSGCOSHPSA-N 1 0 227.392 3.096 10 0 BGAERO CC[C@](C)([NH3+])c1csc(C(C)(C)C)n1 ZINC000165363727 353319920 /nfs/dbraw/zinc/31/99/20/353319920.db2.gz AJAJEQXJODBORM-NSHDSACASA-N 1 0 212.362 3.025 10 0 BGAERO CC[C@@](C)([NH3+])c1csc(C(C)(C)C)n1 ZINC000165363850 342926796 /nfs/dbraw/zinc/92/67/96/342926796.db2.gz AJAJEQXJODBORM-LLVKDONJSA-N 1 0 212.362 3.025 10 0 BGAERO CC(C)(C)c1ccc([C@H]([NH3+])C2CC2)s1 ZINC000165400055 346650798 /nfs/dbraw/zinc/65/07/98/346650798.db2.gz AWQQOJTVTLKVEM-LLVKDONJSA-N 1 0 209.358 3.455 10 0 BGAERO CC(C)(C)c1ccc([C@@H]([NH3+])C2CC2)s1 ZINC000165400184 343134472 /nfs/dbraw/zinc/13/44/72/343134472.db2.gz AWQQOJTVTLKVEM-NSHDSACASA-N 1 0 209.358 3.455 10 0 BGAERO CC[C@H]([NH3+])c1csc(C2CCCC2)n1 ZINC000165411311 353352412 /nfs/dbraw/zinc/35/24/12/353352412.db2.gz AVZWNRCYLHALMG-VIFPVBQESA-N 1 0 210.346 3.211 10 0 BGAERO CC[C@@H]([NH3+])c1csc(C2CCCC2)n1 ZINC000165411432 343265233 /nfs/dbraw/zinc/26/52/33/343265233.db2.gz AVZWNRCYLHALMG-SECBINFHSA-N 1 0 210.346 3.211 10 0 BGAERO CC[N@@H+]1CCCC[C@@H]1CCc1ccccc1N ZINC000165415157 385387576 /nfs/dbraw/zinc/38/75/76/385387576.db2.gz QNXZSMDOIKKLQS-CQSZACIVSA-N 1 0 232.371 3.076 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1CCc1ccccc1N ZINC000165415289 385387801 /nfs/dbraw/zinc/38/78/01/385387801.db2.gz QNXZSMDOIKKLQS-AWEZNQCLSA-N 1 0 232.371 3.076 10 0 BGAERO CC[C@@H]1CC[C@H](CCc2ccccc2N)[N@H+](C)C1 ZINC000165434061 343143955 /nfs/dbraw/zinc/14/39/55/343143955.db2.gz JCFCPSUZCSXLGY-UKRRQHHQSA-N 1 0 246.398 3.322 10 0 BGAERO CC[C@H]1CC[C@H](CCc2ccccc2N)[N@H+](C)C1 ZINC000165434173 353349725 /nfs/dbraw/zinc/34/97/25/353349725.db2.gz JCFCPSUZCSXLGY-DZGCQCFKSA-N 1 0 246.398 3.322 10 0 BGAERO CC[C@@H]1CC[C@@H](CCc2ccccc2N)[N@H+](C)C1 ZINC000165434297 346651376 /nfs/dbraw/zinc/65/13/76/346651376.db2.gz JCFCPSUZCSXLGY-HIFRSBDPSA-N 1 0 246.398 3.322 10 0 BGAERO CC[C@H]1CC[C@@H](CCc2ccccc2N)[N@H+](C)C1 ZINC000165434417 343143938 /nfs/dbraw/zinc/14/39/38/343143938.db2.gz JCFCPSUZCSXLGY-ZFWWWQNUSA-N 1 0 246.398 3.322 10 0 BGAERO CCC(O)(CC)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000165472707 203386354 /nfs/dbraw/zinc/38/63/54/203386354.db2.gz KYPJKZFJXFKDFJ-HNNXBMFYSA-N 1 0 247.382 3.027 10 0 BGAERO CCC(O)(CC)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000165472847 203385728 /nfs/dbraw/zinc/38/57/28/203385728.db2.gz KYPJKZFJXFKDFJ-OAHLLOKOSA-N 1 0 247.382 3.027 10 0 BGAERO CC(C)CCC[N@@H+]1CCNCC12CCCCC2 ZINC000165544818 203386746 /nfs/dbraw/zinc/38/67/46/203386746.db2.gz HUXNWTFIHKNAML-UHFFFAOYSA-N 1 0 238.419 3.031 10 0 BGAERO CCCC[C@@H](CCC)[NH2+]CC1CCOCC1 ZINC000165655534 203385647 /nfs/dbraw/zinc/38/56/47/203385647.db2.gz RTDOXLDCNRJEQY-CQSZACIVSA-N 1 0 227.392 3.362 10 0 BGAERO CCCC[C@H](CCC)[NH2+]CC1CCOCC1 ZINC000165655665 203385546 /nfs/dbraw/zinc/38/55/46/203385546.db2.gz RTDOXLDCNRJEQY-AWEZNQCLSA-N 1 0 227.392 3.362 10 0 BGAERO c1cc2ccc([C@@H]3C[NH2+]Cc4ccccc43)cc2[nH]1 ZINC000165656350 343214625 /nfs/dbraw/zinc/21/46/25/343214625.db2.gz OBZUTWFAQMDOIH-INIZCTEOSA-N 1 0 248.329 3.403 10 0 BGAERO c1cc2ccc([C@H]3C[NH2+]Cc4ccccc43)cc2[nH]1 ZINC000165656476 346656069 /nfs/dbraw/zinc/65/60/69/346656069.db2.gz OBZUTWFAQMDOIH-MRXNPFEDSA-N 1 0 248.329 3.403 10 0 BGAERO CC(C)(C)c1cccc(C2([NH3+])CCC(=O)CC2)c1 ZINC000165760377 343228898 /nfs/dbraw/zinc/22/88/98/343228898.db2.gz PJTRIALRDGLEBJ-UHFFFAOYSA-N 1 0 245.366 3.281 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)Cc1cc(F)ccc1Cl ZINC000165960738 344249032 /nfs/dbraw/zinc/24/90/32/344249032.db2.gz KKIPSYNUFZGLMA-JGVFFNPUSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Cc1cc(F)ccc1Cl ZINC000165960851 354435808 /nfs/dbraw/zinc/43/58/08/354435808.db2.gz KKIPSYNUFZGLMA-HTQZYQBOSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)Cc1cc(F)ccc1Cl ZINC000165960932 344249068 /nfs/dbraw/zinc/24/90/68/344249068.db2.gz KKIPSYNUFZGLMA-YUMQZZPRSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@@H](C[NH2+]Cc1ccccc1)c1ccc(O)cc1 ZINC000165981625 343283424 /nfs/dbraw/zinc/28/34/24/343283424.db2.gz ZBJTTYUWDHJGAJ-ZDUSSCGKSA-N 1 0 241.334 3.286 10 0 BGAERO C[C@H](C[NH2+]Cc1ccccc1)c1ccc(O)cc1 ZINC000165981761 343283707 /nfs/dbraw/zinc/28/37/07/343283707.db2.gz ZBJTTYUWDHJGAJ-CYBMUJFWSA-N 1 0 241.334 3.286 10 0 BGAERO C/C(=C/c1ccc(C(C)(C)C)s1)C[NH3+] ZINC000165991430 344268821 /nfs/dbraw/zinc/26/88/21/344268821.db2.gz HDYCXBTXYAQNFW-CLFYSBASSA-N 1 0 209.358 3.408 10 0 BGAERO CC(C)CCC[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000166044326 203387930 /nfs/dbraw/zinc/38/79/30/203387930.db2.gz JKDJSLBWNYCJBC-HUUCEWRRSA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000166044459 203387132 /nfs/dbraw/zinc/38/71/32/203387132.db2.gz JKDJSLBWNYCJBC-CABCVRRESA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)(C)c1cccc([C@@]2([NH3+])CCCC[C@@H]2O)c1 ZINC000166054796 343303318 /nfs/dbraw/zinc/30/33/18/343303318.db2.gz OTRFOTQGJDMUON-HOCLYGCPSA-N 1 0 247.382 3.073 10 0 BGAERO CC(C)(C)c1cccc([C@]2([NH3+])CCCC[C@@H]2O)c1 ZINC000166054910 343303608 /nfs/dbraw/zinc/30/36/08/343303608.db2.gz OTRFOTQGJDMUON-GOEBONIOSA-N 1 0 247.382 3.073 10 0 BGAERO CC(C)(C)c1cccc([C@@]2([NH3+])CCCC[C@H]2O)c1 ZINC000166055016 343303488 /nfs/dbraw/zinc/30/34/88/343303488.db2.gz OTRFOTQGJDMUON-ZBFHGGJFSA-N 1 0 247.382 3.073 10 0 BGAERO CC(C)(C)c1cccc([C@]2([NH3+])CCCC[C@H]2O)c1 ZINC000166055129 343563936 /nfs/dbraw/zinc/56/39/36/343563936.db2.gz OTRFOTQGJDMUON-GDBMZVCRSA-N 1 0 247.382 3.073 10 0 BGAERO C/C(=C/C[NH3+])c1cc2ccccc2s1 ZINC000166208792 344789289 /nfs/dbraw/zinc/78/92/89/344789289.db2.gz GHQFSLNFBFHAGS-TWGQIWQCSA-N 1 0 203.310 3.263 10 0 BGAERO CS[C@@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000166229442 344807303 /nfs/dbraw/zinc/80/73/03/344807303.db2.gz WBXDVNCYZKSCNK-NWDGAFQWSA-N 1 0 213.390 3.193 10 0 BGAERO CS[C@H]1CCCC[C@@H]1[NH2+]C1CCCC1 ZINC000166229550 344807301 /nfs/dbraw/zinc/80/73/01/344807301.db2.gz WBXDVNCYZKSCNK-RYUDHWBXSA-N 1 0 213.390 3.193 10 0 BGAERO CS[C@H]1CCCC[C@H]1[NH2+]C1CCCC1 ZINC000166229779 344807322 /nfs/dbraw/zinc/80/73/22/344807322.db2.gz WBXDVNCYZKSCNK-NEPJUHHUSA-N 1 0 213.390 3.193 10 0 BGAERO CC(C)(C)c1ccc([C@@H]2[NH2+]CCS2)s1 ZINC000166255517 344831766 /nfs/dbraw/zinc/83/17/66/344831766.db2.gz BZMHUEGBSAMKLV-SNVBAGLBSA-N 1 0 227.398 3.381 10 0 BGAERO CC(C)(C)c1ccc([C@H]2[NH2+]CCS2)s1 ZINC000166255631 344831972 /nfs/dbraw/zinc/83/19/72/344831972.db2.gz BZMHUEGBSAMKLV-JTQLQIEISA-N 1 0 227.398 3.381 10 0 BGAERO [NH3+][C@@H]1CCSCc2c(Cl)ccc(F)c21 ZINC000166301717 344851601 /nfs/dbraw/zinc/85/16/01/344851601.db2.gz UBJPSXQGWFKEBA-SECBINFHSA-N 1 0 231.723 3.116 10 0 BGAERO [NH3+][C@H]1CCSCc2c(Cl)ccc(F)c21 ZINC000166301841 344851685 /nfs/dbraw/zinc/85/16/85/344851685.db2.gz UBJPSXQGWFKEBA-VIFPVBQESA-N 1 0 231.723 3.116 10 0 BGAERO CC(C)(C)[C@](C)(F)C[C@@H]1CCCC[NH2+]1 ZINC000166325759 344858328 /nfs/dbraw/zinc/85/83/28/344858328.db2.gz UCKYGSZMZSFQRY-CMPLNLGQSA-N 1 0 201.329 3.293 10 0 BGAERO CC(C)(C)[C@@](C)(F)C[C@@H]1CCCC[NH2+]1 ZINC000166325861 344858343 /nfs/dbraw/zinc/85/83/43/344858343.db2.gz UCKYGSZMZSFQRY-JQWIXIFHSA-N 1 0 201.329 3.293 10 0 BGAERO CC(C)(C)[C@](C)(F)C[C@H]1CCCC[NH2+]1 ZINC000166325981 344858216 /nfs/dbraw/zinc/85/82/16/344858216.db2.gz UCKYGSZMZSFQRY-ZYHUDNBSSA-N 1 0 201.329 3.293 10 0 BGAERO CC(C)(C)[C@@](C)(F)C[C@H]1CCCC[NH2+]1 ZINC000166326110 344858209 /nfs/dbraw/zinc/85/82/09/344858209.db2.gz UCKYGSZMZSFQRY-PWSUYJOCSA-N 1 0 201.329 3.293 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1F ZINC000166347433 490090557 /nfs/dbraw/zinc/09/05/57/490090557.db2.gz RMTUHBWHGWHXDC-TVYUQYBPSA-N 1 0 207.292 3.275 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1F ZINC000166347645 490090460 /nfs/dbraw/zinc/09/04/60/490090460.db2.gz RMTUHBWHGWHXDC-XDTLVQLUSA-N 1 0 207.292 3.275 10 0 BGAERO C[C@@H](CC(F)(F)F)[NH2+]CCc1ccccc1 ZINC000166353368 633111838 /nfs/dbraw/zinc/11/18/38/633111838.db2.gz VDEWDHWIDBCZID-JTQLQIEISA-N 1 0 231.261 3.160 10 0 BGAERO C[C@H](CC(F)(F)F)[NH2+]CCc1ccccc1 ZINC000166353495 633112316 /nfs/dbraw/zinc/11/23/16/633112316.db2.gz VDEWDHWIDBCZID-SNVBAGLBSA-N 1 0 231.261 3.160 10 0 BGAERO c1ccc2c(c1)CCC[C@@H]2[C@@H]1CCCC[NH2+]1 ZINC000166397709 343567582 /nfs/dbraw/zinc/56/75/82/343567582.db2.gz AIGRFZNWEPSWEZ-GJZGRUSLSA-N 1 0 215.340 3.249 10 0 BGAERO c1ccc2c(c1)CCC[C@H]2[C@@H]1CCCC[NH2+]1 ZINC000166397819 343544743 /nfs/dbraw/zinc/54/47/43/343544743.db2.gz AIGRFZNWEPSWEZ-CABCVRRESA-N 1 0 215.340 3.249 10 0 BGAERO c1ccc2c(c1)CCC[C@@H]2[C@H]1CCCC[NH2+]1 ZINC000166397937 343544558 /nfs/dbraw/zinc/54/45/58/343544558.db2.gz AIGRFZNWEPSWEZ-LSDHHAIUSA-N 1 0 215.340 3.249 10 0 BGAERO c1ccc2c(c1)CCC[C@H]2[C@H]1CCCC[NH2+]1 ZINC000166398059 343544701 /nfs/dbraw/zinc/54/47/01/343544701.db2.gz AIGRFZNWEPSWEZ-HUUCEWRRSA-N 1 0 215.340 3.249 10 0 BGAERO CC(C)(C)Cc1ccc(N2CCCC2)c(C[NH3+])c1 ZINC000166420618 343580627 /nfs/dbraw/zinc/58/06/27/343580627.db2.gz WCRUYZRMLBWSJM-UHFFFAOYSA-N 1 0 246.398 3.334 10 0 BGAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1ccc(F)cc1 ZINC000166424345 344895103 /nfs/dbraw/zinc/89/51/03/344895103.db2.gz IWTFXEQIZMUQIB-INIZCTEOSA-N 1 0 241.309 3.403 10 0 BGAERO C[N@@H+]1CCc2ccccc2[C@H]1c1ccc(F)cc1 ZINC000166424476 344894881 /nfs/dbraw/zinc/89/48/81/344894881.db2.gz IWTFXEQIZMUQIB-MRXNPFEDSA-N 1 0 241.309 3.403 10 0 BGAERO CCCCCCc1csc([C@@H](C)[NH3+])n1 ZINC000166438171 640640901 /nfs/dbraw/zinc/64/09/01/640640901.db2.gz GHCYLOSFHVBEPM-SECBINFHSA-N 1 0 212.362 3.286 10 0 BGAERO [NH3+]C[C@@]1(CC2CCCCC2)CCCS1 ZINC000166480524 344904588 /nfs/dbraw/zinc/90/45/88/344904588.db2.gz ZGQYVLIFDDEHDI-LBPRGKRZSA-N 1 0 213.390 3.181 10 0 BGAERO [NH3+]C[C@]1(CC2CCCCC2)CCCS1 ZINC000166480636 344904983 /nfs/dbraw/zinc/90/49/83/344904983.db2.gz ZGQYVLIFDDEHDI-GFCCVEGCSA-N 1 0 213.390 3.181 10 0 BGAERO [NH3+]C[C@@]1(Cc2ccc(Cl)s2)CCCS1 ZINC000166486124 344907168 /nfs/dbraw/zinc/90/71/68/344907168.db2.gz SRNIINSCUPSCMF-JTQLQIEISA-N 1 0 247.816 3.169 10 0 BGAERO [NH3+]C[C@]1(Cc2ccc(Cl)s2)CCCS1 ZINC000166486245 344907061 /nfs/dbraw/zinc/90/70/61/344907061.db2.gz SRNIINSCUPSCMF-SNVBAGLBSA-N 1 0 247.816 3.169 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000166579877 582642226 /nfs/dbraw/zinc/64/22/26/582642226.db2.gz MKTZATSAHPXYNN-KBPBESRZSA-N 1 0 225.376 3.280 10 0 BGAERO CC(C)=CCC[C@@H](C)[NH2+]CC[C@@H]1CCCO1 ZINC000166579964 582642086 /nfs/dbraw/zinc/64/20/86/582642086.db2.gz MKTZATSAHPXYNN-KGLIPLIRSA-N 1 0 225.376 3.280 10 0 BGAERO C[C@@H](CSC(C)(C)C)[NH2+]CC[C@@H]1CCCO1 ZINC000166580350 633118230 /nfs/dbraw/zinc/11/82/30/633118230.db2.gz QNEYOOBVPZKTJA-RYUDHWBXSA-N 1 0 245.432 3.065 10 0 BGAERO C[C@H](CSC(C)(C)C)[NH2+]CC[C@@H]1CCCO1 ZINC000166580468 633117210 /nfs/dbraw/zinc/11/72/10/633117210.db2.gz QNEYOOBVPZKTJA-NEPJUHHUSA-N 1 0 245.432 3.065 10 0 BGAERO CC[C@H]([NH2+]C)c1cccc(F)c1Cl ZINC000166709882 344966766 /nfs/dbraw/zinc/96/67/66/344966766.db2.gz WTKJJBYKYSMFCE-VIFPVBQESA-N 1 0 201.672 3.150 10 0 BGAERO CC[C@@H]([NH2+]C)c1cccc(F)c1Cl ZINC000166709994 344967345 /nfs/dbraw/zinc/96/73/45/344967345.db2.gz WTKJJBYKYSMFCE-SECBINFHSA-N 1 0 201.672 3.150 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1sccc1OC ZINC000166723679 361855977 /nfs/dbraw/zinc/85/59/77/361855977.db2.gz WQEYSBGGQDJDEF-ZJUUUORDSA-N 1 0 225.357 3.035 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1sccc1OC ZINC000166723788 361856680 /nfs/dbraw/zinc/85/66/80/361856680.db2.gz WQEYSBGGQDJDEF-UWVGGRQHSA-N 1 0 225.357 3.035 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1sccc1OC ZINC000166723908 388255725 /nfs/dbraw/zinc/25/57/25/388255725.db2.gz WQEYSBGGQDJDEF-NXEZZACHSA-N 1 0 225.357 3.035 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1sccc1OC ZINC000166724028 361856576 /nfs/dbraw/zinc/85/65/76/361856576.db2.gz WQEYSBGGQDJDEF-VHSXEESVSA-N 1 0 225.357 3.035 10 0 BGAERO CC[C@@H]([NH2+]C)c1cc(F)c(Cl)cc1F ZINC000166759230 345353507 /nfs/dbraw/zinc/35/35/07/345353507.db2.gz UUIDDFVKBKEWRZ-SNVBAGLBSA-N 1 0 219.662 3.289 10 0 BGAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@H](CO)CC(C)C ZINC000166796229 385283737 /nfs/dbraw/zinc/28/37/37/385283737.db2.gz ZLPMQQVPCGSVDX-MELADBBJSA-N 1 0 229.408 3.198 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H](CO)CC(C)C ZINC000166796417 206142655 /nfs/dbraw/zinc/14/26/55/206142655.db2.gz ZLPMQQVPCGSVDX-IHRRRGAJSA-N 1 0 229.408 3.198 10 0 BGAERO CC(C)CCC[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000166797465 640678852 /nfs/dbraw/zinc/67/88/52/640678852.db2.gz GNXUEXDPANJUCZ-KGLIPLIRSA-N 1 0 229.408 3.198 10 0 BGAERO CC(C)CCC[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000166797576 640678624 /nfs/dbraw/zinc/67/86/24/640678624.db2.gz GNXUEXDPANJUCZ-KBPBESRZSA-N 1 0 229.408 3.198 10 0 BGAERO [NH3+]CCc1ccc(-c2ccc(F)cc2)cc1F ZINC000166819035 343957412 /nfs/dbraw/zinc/95/74/12/343957412.db2.gz MUCXGCUIAVVXPO-UHFFFAOYSA-N 1 0 233.261 3.133 10 0 BGAERO C[C@@H]1C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000166840480 326435666 /nfs/dbraw/zinc/43/56/66/326435666.db2.gz MDLUGRRGPNIZHK-CHWFTXMASA-N 1 0 235.293 3.353 10 0 BGAERO C[C@]1(Cc2ccc(Cl)s2)CC[C@H]([NH3+])C1 ZINC000166896558 345948402 /nfs/dbraw/zinc/94/84/02/345948402.db2.gz XVMKNNAJYAQQBY-KWQFWETISA-N 1 0 229.776 3.462 10 0 BGAERO C[C@@]1(Cc2ccc(Cl)s2)CC[C@H]([NH3+])C1 ZINC000166896661 345948433 /nfs/dbraw/zinc/94/84/33/345948433.db2.gz XVMKNNAJYAQQBY-GZMMTYOYSA-N 1 0 229.776 3.462 10 0 BGAERO C[C@]1(Cc2ccc(Cl)s2)CC[C@@H]([NH3+])C1 ZINC000166896777 345948328 /nfs/dbraw/zinc/94/83/28/345948328.db2.gz XVMKNNAJYAQQBY-KCJUWKMLSA-N 1 0 229.776 3.462 10 0 BGAERO C[C@@]1(Cc2ccc(Cl)s2)CC[C@@H]([NH3+])C1 ZINC000166896872 345948517 /nfs/dbraw/zinc/94/85/17/345948517.db2.gz XVMKNNAJYAQQBY-LDYMZIIASA-N 1 0 229.776 3.462 10 0 BGAERO C[C@]1(c2cccc(Cl)c2)CC[C@H]([NH3+])C1 ZINC000166903267 345949862 /nfs/dbraw/zinc/94/98/62/345949862.db2.gz ORQVAJANMKSTID-RYUDHWBXSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@@]1(c2cccc(Cl)c2)CC[C@H]([NH3+])C1 ZINC000166903375 345949675 /nfs/dbraw/zinc/94/96/75/345949675.db2.gz ORQVAJANMKSTID-NWDGAFQWSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@]1(c2cccc(Cl)c2)CC[C@@H]([NH3+])C1 ZINC000166903492 345949702 /nfs/dbraw/zinc/94/97/02/345949702.db2.gz ORQVAJANMKSTID-NEPJUHHUSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@@]1(c2cccc(Cl)c2)CC[C@@H]([NH3+])C1 ZINC000166903593 345949567 /nfs/dbraw/zinc/94/95/67/345949567.db2.gz ORQVAJANMKSTID-VXGBXAGGSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@]1(c2ccc(Cl)cc2)CC[C@H]([NH3+])C1 ZINC000166916538 345953823 /nfs/dbraw/zinc/95/38/23/345953823.db2.gz DHJUYGAUXKWAPE-RYUDHWBXSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@@]1(c2ccc(Cl)cc2)CC[C@H]([NH3+])C1 ZINC000166916631 345953618 /nfs/dbraw/zinc/95/36/18/345953618.db2.gz DHJUYGAUXKWAPE-NWDGAFQWSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@]1(c2ccc(Cl)cc2)CC[C@@H]([NH3+])C1 ZINC000166916744 345954118 /nfs/dbraw/zinc/95/41/18/345954118.db2.gz DHJUYGAUXKWAPE-NEPJUHHUSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@@]1(c2ccc(Cl)cc2)CC[C@@H]([NH3+])C1 ZINC000166916841 345954031 /nfs/dbraw/zinc/95/40/31/345954031.db2.gz DHJUYGAUXKWAPE-VXGBXAGGSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@]1(CCc2cccs2)CC[C@H]([NH3+])C1 ZINC000166939158 345958507 /nfs/dbraw/zinc/95/85/07/345958507.db2.gz SODOELJZGJBWER-CMPLNLGQSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@@]1(CCc2cccs2)CC[C@H]([NH3+])C1 ZINC000166939271 345958550 /nfs/dbraw/zinc/95/85/50/345958550.db2.gz SODOELJZGJBWER-JQWIXIFHSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@]1(CCc2cccs2)CC[C@@H]([NH3+])C1 ZINC000166939341 345958521 /nfs/dbraw/zinc/95/85/21/345958521.db2.gz SODOELJZGJBWER-ZYHUDNBSSA-N 1 0 209.358 3.198 10 0 BGAERO C[C@@]1(CCc2cccs2)CC[C@@H]([NH3+])C1 ZINC000166939447 345959534 /nfs/dbraw/zinc/95/95/34/345959534.db2.gz SODOELJZGJBWER-PWSUYJOCSA-N 1 0 209.358 3.198 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1cncc(F)c1)C(C)C ZINC000166946089 385291855 /nfs/dbraw/zinc/29/18/55/385291855.db2.gz PCJBJTZEWHHSJY-GWCFXTLKSA-N 1 0 224.323 3.306 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1cncc(F)c1)C(C)C ZINC000166946203 346694585 /nfs/dbraw/zinc/69/45/85/346694585.db2.gz PCJBJTZEWHHSJY-GXFFZTMASA-N 1 0 224.323 3.306 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cncc(F)c1)C(C)C ZINC000166946299 171545948 /nfs/dbraw/zinc/54/59/48/171545948.db2.gz PCJBJTZEWHHSJY-MFKMUULPSA-N 1 0 224.323 3.306 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1cncc(F)c1)C(C)C ZINC000166946398 170912814 /nfs/dbraw/zinc/91/28/14/170912814.db2.gz PCJBJTZEWHHSJY-ZWNOBZJWSA-N 1 0 224.323 3.306 10 0 BGAERO C[C@]1(c2ccccc2Cl)CC[C@H]([NH3+])C1 ZINC000166953451 345961285 /nfs/dbraw/zinc/96/12/85/345961285.db2.gz MDEAIMSOXAEXCK-CABZTGNLSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@@]1(c2ccccc2Cl)CC[C@H]([NH3+])C1 ZINC000166953547 345961368 /nfs/dbraw/zinc/96/13/68/345961368.db2.gz MDEAIMSOXAEXCK-JOYOIKCWSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@]1(c2ccccc2Cl)CC[C@@H]([NH3+])C1 ZINC000166953641 345961586 /nfs/dbraw/zinc/96/15/86/345961586.db2.gz MDEAIMSOXAEXCK-SKDRFNHKSA-N 1 0 209.720 3.109 10 0 BGAERO C[C@@]1(c2ccccc2Cl)CC[C@@H]([NH3+])C1 ZINC000166953765 345961623 /nfs/dbraw/zinc/96/16/23/345961623.db2.gz MDEAIMSOXAEXCK-BXKDBHETSA-N 1 0 209.720 3.109 10 0 BGAERO CCOC(C)(C)C[NH2+]CC1CCC(C)CC1 ZINC000166954906 355945128 /nfs/dbraw/zinc/94/51/28/355945128.db2.gz ZMHQHYUASAUBNY-UHFFFAOYSA-N 1 0 227.392 3.217 10 0 BGAERO C[C@]1(c2ccc(Cl)s2)CC[C@H]([NH3+])C1 ZINC000166968590 355945140 /nfs/dbraw/zinc/94/51/40/355945140.db2.gz ICYOOESRVSXADY-XVKPBYJWSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@@]1(c2ccc(Cl)s2)CC[C@H]([NH3+])C1 ZINC000166968698 346176542 /nfs/dbraw/zinc/17/65/42/346176542.db2.gz ICYOOESRVSXADY-OIBJUYFYSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@]1(c2ccc(Cl)s2)CC[C@@H]([NH3+])C1 ZINC000166968792 346176441 /nfs/dbraw/zinc/17/64/41/346176441.db2.gz ICYOOESRVSXADY-XCBNKYQSSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@@]1(c2ccc(Cl)s2)CC[C@@H]([NH3+])C1 ZINC000166968884 346176506 /nfs/dbraw/zinc/17/65/06/346176506.db2.gz ICYOOESRVSXADY-GMSGAONNSA-N 1 0 215.749 3.170 10 0 BGAERO C[NH2+][C@H]1CC[C@](C)(Cc2ccsc2)C1 ZINC000166999745 346181139 /nfs/dbraw/zinc/18/11/39/346181139.db2.gz MFDYTEHZBQLGRU-NWDGAFQWSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CC[C@@](C)(Cc2ccsc2)C1 ZINC000166999846 346180747 /nfs/dbraw/zinc/18/07/47/346180747.db2.gz MFDYTEHZBQLGRU-RYUDHWBXSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@@H]1CC[C@](C)(Cc2ccsc2)C1 ZINC000166999944 346180658 /nfs/dbraw/zinc/18/06/58/346180658.db2.gz MFDYTEHZBQLGRU-VXGBXAGGSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@@H]1CC[C@@](C)(Cc2ccsc2)C1 ZINC000167000050 346180862 /nfs/dbraw/zinc/18/08/62/346180862.db2.gz MFDYTEHZBQLGRU-NEPJUHHUSA-N 1 0 209.358 3.069 10 0 BGAERO C[NH2+][C@H]1CC[C@@](C)(c2sccc2C)C1 ZINC000167011098 346179036 /nfs/dbraw/zinc/17/90/36/346179036.db2.gz LCAGELKBOCUJBL-CMPLNLGQSA-N 1 0 209.358 3.086 10 0 BGAERO C[NH2+][C@H]1CC[C@](C)(c2sccc2C)C1 ZINC000167011199 346178971 /nfs/dbraw/zinc/17/89/71/346178971.db2.gz LCAGELKBOCUJBL-JQWIXIFHSA-N 1 0 209.358 3.086 10 0 BGAERO C[NH2+][C@@H]1CC[C@@](C)(c2sccc2C)C1 ZINC000167011314 346179064 /nfs/dbraw/zinc/17/90/64/346179064.db2.gz LCAGELKBOCUJBL-ZYHUDNBSSA-N 1 0 209.358 3.086 10 0 BGAERO C[NH2+][C@@H]1CC[C@](C)(c2sccc2C)C1 ZINC000167011387 346178998 /nfs/dbraw/zinc/17/89/98/346178998.db2.gz LCAGELKBOCUJBL-PWSUYJOCSA-N 1 0 209.358 3.086 10 0 BGAERO C[NH2+][C@@H]1CC[C@@](C)(c2ccc(Cl)s2)C1 ZINC000167052074 346696987 /nfs/dbraw/zinc/69/69/87/346696987.db2.gz OHCWSFYMBGXZRU-LDYMZIIASA-N 1 0 229.776 3.431 10 0 BGAERO [NH3+]CCCCc1ncccc1-c1ccccc1 ZINC000167061801 344767242 /nfs/dbraw/zinc/76/72/42/344767242.db2.gz JGEORNUCMQMQMU-UHFFFAOYSA-N 1 0 226.323 3.030 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCSC2)cc1C ZINC000167099198 385298466 /nfs/dbraw/zinc/29/84/66/385298466.db2.gz MTHAGDIMRIVPJK-TZMCWYRMSA-N 1 0 235.396 3.460 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCSC2)cc1C ZINC000167099306 385299074 /nfs/dbraw/zinc/29/90/74/385299074.db2.gz MTHAGDIMRIVPJK-GXTWGEPZSA-N 1 0 235.396 3.460 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCSC2)cc1C ZINC000167099415 385298085 /nfs/dbraw/zinc/29/80/85/385298085.db2.gz MTHAGDIMRIVPJK-OCCSQVGLSA-N 1 0 235.396 3.460 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCSC2)cc1C ZINC000167099528 385298280 /nfs/dbraw/zinc/29/82/80/385298280.db2.gz MTHAGDIMRIVPJK-JSGCOSHPSA-N 1 0 235.396 3.460 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000167107344 538940278 /nfs/dbraw/zinc/94/02/78/538940278.db2.gz IWFFBNMTHXKEDX-LLVKDONJSA-N 1 0 216.328 3.302 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1cc2ccccc2[nH]1 ZINC000167107440 538939992 /nfs/dbraw/zinc/93/99/92/538939992.db2.gz IWFFBNMTHXKEDX-NSHDSACASA-N 1 0 216.328 3.302 10 0 BGAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000167245249 388439439 /nfs/dbraw/zinc/43/94/39/388439439.db2.gz IXGWNWKNLDFWJA-UPJWGTAASA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000167245457 388439837 /nfs/dbraw/zinc/43/98/37/388439837.db2.gz IXGWNWKNLDFWJA-JHJVBQTASA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCOC1 ZINC000167246545 388439721 /nfs/dbraw/zinc/43/97/21/388439721.db2.gz TZBKZTWDALJCKE-MCIONIFRSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCOC1 ZINC000167246756 388439491 /nfs/dbraw/zinc/43/94/91/388439491.db2.gz TZBKZTWDALJCKE-MGPQQGTHSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000167248075 538940633 /nfs/dbraw/zinc/94/06/33/538940633.db2.gz UMWJROPMVMFQBM-OCCSQVGLSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@H]1CCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000167248167 538940443 /nfs/dbraw/zinc/94/04/43/538940443.db2.gz UMWJROPMVMFQBM-JSGCOSHPSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCCC[C@H]1[NH2+]C1CCOCC1 ZINC000167248262 538940551 /nfs/dbraw/zinc/94/05/51/538940551.db2.gz UMWJROPMVMFQBM-TZMCWYRMSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@H]1CCCC[C@H]1[NH2+]C1CCOCC1 ZINC000167248339 538940481 /nfs/dbraw/zinc/94/04/81/538940481.db2.gz UMWJROPMVMFQBM-GXTWGEPZSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000167289816 538940482 /nfs/dbraw/zinc/94/04/82/538940482.db2.gz ILZDSBODQAOVKS-WQHBLYJGSA-N 1 0 221.731 3.325 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2c1cccc2Cl ZINC000167290023 538940616 /nfs/dbraw/zinc/94/06/16/538940616.db2.gz ILZDSBODQAOVKS-BZHVJNSISA-N 1 0 221.731 3.325 10 0 BGAERO CCC[C@H]([NH3+])c1cc2c(s1)CCSC2 ZINC000167321968 346234353 /nfs/dbraw/zinc/23/43/53/346234353.db2.gz HVLXLXHDWZJZCI-VIFPVBQESA-N 1 0 227.398 3.337 10 0 BGAERO CCC[C@@H]([NH3+])c1cc2c(s1)CCSC2 ZINC000167322076 346234184 /nfs/dbraw/zinc/23/41/84/346234184.db2.gz HVLXLXHDWZJZCI-SECBINFHSA-N 1 0 227.398 3.337 10 0 BGAERO Cc1ccc(NC2=[NH+]Cc3ccccc3N2)cc1 ZINC000167359902 343593265 /nfs/dbraw/zinc/59/32/65/343593265.db2.gz NRLHPRKHGSAHAX-UHFFFAOYSA-N 1 0 237.306 3.198 10 0 BGAERO [NH3+]Cc1c(Br)ccc2ccccc21 ZINC000167462832 346250445 /nfs/dbraw/zinc/25/04/45/346250445.db2.gz MMRHYUGYZFCDAM-UHFFFAOYSA-N 1 0 236.112 3.061 10 0 BGAERO CC1CC([NH2+]C2CC(c3ccc(F)cc3)C2)C1 ZINC000167533724 168145656 /nfs/dbraw/zinc/14/56/56/168145656.db2.gz URDJESAVUPHUIC-UHFFFAOYSA-N 1 0 233.330 3.460 10 0 BGAERO CC(C)[NH2+]CCC(=O)c1ccc2ccccc2c1 ZINC000167625594 322921940 /nfs/dbraw/zinc/92/19/40/322921940.db2.gz YYDCMEYWTHGUFI-UHFFFAOYSA-N 1 0 241.334 3.411 10 0 BGAERO C[N@H+]1CC=C(/C=C/c2ccc(F)cc2)CC1 ZINC000167785797 345800764 /nfs/dbraw/zinc/80/07/64/345800764.db2.gz WTOIWADFIDZNBW-NSCUHMNNSA-N 1 0 217.287 3.101 10 0 BGAERO CSc1ccc(NC(=N)c2cccnc2)cc1 ZINC000167953596 346722035 /nfs/dbraw/zinc/72/20/35/346722035.db2.gz SQNRRAARKRNOEG-UHFFFAOYSA-N 1 0 243.335 3.241 10 0 BGAERO CC(C)(C)[NH+]1CCC(c2ccncc2)CC1 ZINC000167971426 351095658 /nfs/dbraw/zinc/09/56/58/351095658.db2.gz KPUINBQGJOXRFW-UHFFFAOYSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)[C@H]([NH3+])Cc1ccc(F)c(Cl)c1 ZINC000167981296 351146232 /nfs/dbraw/zinc/14/62/32/351146232.db2.gz IXISKSDZQOGYJZ-LLVKDONJSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)[C@@H]([NH3+])Cc1ccc(F)c(Cl)c1 ZINC000167981397 351145989 /nfs/dbraw/zinc/14/59/89/351145989.db2.gz IXISKSDZQOGYJZ-NSHDSACASA-N 1 0 215.699 3.005 10 0 BGAERO CC[C@](C)(O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000168037278 535845257 /nfs/dbraw/zinc/84/52/57/535845257.db2.gz FZHUMNSARPGGDZ-AWEZNQCLSA-N 1 0 239.403 3.194 10 0 BGAERO CC[C@@](C)(O)C[NH+]1CCC2(CCCCC2)CC1 ZINC000168037377 134155939 /nfs/dbraw/zinc/15/59/39/134155939.db2.gz FZHUMNSARPGGDZ-CQSZACIVSA-N 1 0 239.403 3.194 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000168042587 206147954 /nfs/dbraw/zinc/14/79/54/206147954.db2.gz DNDCKLKEPZHAAC-ZFWWWQNUSA-N 1 0 241.419 3.296 10 0 BGAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H](C(C)(C)C)CC1 ZINC000168042682 206147047 /nfs/dbraw/zinc/14/70/47/206147047.db2.gz DNDCKLKEPZHAAC-DZGCQCFKSA-N 1 0 241.419 3.296 10 0 BGAERO Cc1ccc(SC(C)(C)C[NH3+])cc1C ZINC000168065637 351278263 /nfs/dbraw/zinc/27/82/63/351278263.db2.gz XKQVGYGNIYPQIE-UHFFFAOYSA-N 1 0 209.358 3.133 10 0 BGAERO C[C@@H]1CCC[C@H](SC(C)(C)C[NH3+])C1 ZINC000168067923 351278252 /nfs/dbraw/zinc/27/82/52/351278252.db2.gz IDEOCFIFOJIBIY-ZJUUUORDSA-N 1 0 201.379 3.036 10 0 BGAERO C[C@H]1CCC[C@H](SC(C)(C)C[NH3+])C1 ZINC000168068014 351278169 /nfs/dbraw/zinc/27/81/69/351278169.db2.gz IDEOCFIFOJIBIY-UWVGGRQHSA-N 1 0 201.379 3.036 10 0 BGAERO C[C@@H]1CCC[C@@H](SC(C)(C)C[NH3+])C1 ZINC000168068072 351278324 /nfs/dbraw/zinc/27/83/24/351278324.db2.gz IDEOCFIFOJIBIY-NXEZZACHSA-N 1 0 201.379 3.036 10 0 BGAERO C[C@H]1CCC[C@@H](SC(C)(C)C[NH3+])C1 ZINC000168068181 351278257 /nfs/dbraw/zinc/27/82/57/351278257.db2.gz IDEOCFIFOJIBIY-VHSXEESVSA-N 1 0 201.379 3.036 10 0 BGAERO Cc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@H]1C)C2 ZINC000168074011 345809119 /nfs/dbraw/zinc/80/91/19/345809119.db2.gz JKQYBACECGCDLM-CZUORRHYSA-N 1 0 229.367 3.337 10 0 BGAERO Cc1ccc2c(c1)CC[C@@H]([N@H+]1CCC[C@@H]1C)C2 ZINC000168074105 345809297 /nfs/dbraw/zinc/80/92/97/345809297.db2.gz JKQYBACECGCDLM-XJKSGUPXSA-N 1 0 229.367 3.337 10 0 BGAERO COc1ccc2c(c1)CCC(C[NH+]1CCCC1)=C2 ZINC000168098491 175208172 /nfs/dbraw/zinc/20/81/72/175208172.db2.gz SEHLFDKVXVNDKZ-UHFFFAOYSA-N 1 0 243.350 3.121 10 0 BGAERO CC(C)CC[C@@H](O)CC[N@H+](C)Cc1ccccc1 ZINC000168164812 345810918 /nfs/dbraw/zinc/81/09/18/345810918.db2.gz DIRCEKPMVXXSLA-MRXNPFEDSA-N 1 0 249.398 3.306 10 0 BGAERO CC(C)CC[C@H](O)CC[N@H+](C)Cc1ccccc1 ZINC000168164876 345811017 /nfs/dbraw/zinc/81/10/17/345811017.db2.gz DIRCEKPMVXXSLA-INIZCTEOSA-N 1 0 249.398 3.306 10 0 BGAERO CC(C)C[C@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000168185811 351335556 /nfs/dbraw/zinc/33/55/56/351335556.db2.gz QMABJJOPJHGLOQ-NSHDSACASA-N 1 0 229.270 3.334 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1cccc(OC(F)F)c1 ZINC000168185904 351335831 /nfs/dbraw/zinc/33/58/31/351335831.db2.gz QMABJJOPJHGLOQ-LLVKDONJSA-N 1 0 229.270 3.334 10 0 BGAERO C=C=CCCC[C@H]([NH3+])c1cccc(F)c1 ZINC000168194355 345811054 /nfs/dbraw/zinc/81/10/54/345811054.db2.gz TUOQCKGPXFANEA-ZDUSSCGKSA-N 1 0 205.276 3.337 10 0 BGAERO C=C=CCCC[C@@H]([NH3+])c1cccc(F)c1 ZINC000168194432 345811148 /nfs/dbraw/zinc/81/11/48/345811148.db2.gz TUOQCKGPXFANEA-CYBMUJFWSA-N 1 0 205.276 3.337 10 0 BGAERO CCc1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000168280421 640796169 /nfs/dbraw/zinc/79/61/69/640796169.db2.gz MLLZONJTPXRMTF-AWEZNQCLSA-N 1 0 203.329 3.454 10 0 BGAERO CCc1cccc([C@H]2CCCCC[NH2+]2)c1 ZINC000168280524 640796249 /nfs/dbraw/zinc/79/62/49/640796249.db2.gz MLLZONJTPXRMTF-CQSZACIVSA-N 1 0 203.329 3.454 10 0 BGAERO [NH3+]Cc1ccc(CSC2CCCCC2)cn1 ZINC000168298745 345812485 /nfs/dbraw/zinc/81/24/85/345812485.db2.gz BXCTWQNQVQGBPZ-UHFFFAOYSA-N 1 0 236.384 3.106 10 0 BGAERO Clc1ccc(CC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000168623698 345817776 /nfs/dbraw/zinc/81/77/76/345817776.db2.gz GBEOCEXZBRQZSJ-QXMXGUDHSA-N 1 0 235.758 3.413 10 0 BGAERO CC[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000168671480 219856776 /nfs/dbraw/zinc/85/67/76/219856776.db2.gz XUDVNRTVKFHUCS-DZGCQCFKSA-N 1 0 247.382 3.061 10 0 BGAERO CC[C@@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000168671565 219857006 /nfs/dbraw/zinc/85/70/06/219857006.db2.gz XUDVNRTVKFHUCS-UKRRQHHQSA-N 1 0 247.382 3.061 10 0 BGAERO CC[C@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000168671652 384287885 /nfs/dbraw/zinc/28/78/85/384287885.db2.gz XUDVNRTVKFHUCS-ZFWWWQNUSA-N 1 0 247.382 3.061 10 0 BGAERO CC[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000168671733 384287986 /nfs/dbraw/zinc/28/79/86/384287986.db2.gz XUDVNRTVKFHUCS-HIFRSBDPSA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)OCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000168672030 384290555 /nfs/dbraw/zinc/29/05/55/384290555.db2.gz ZYBAPIWMLKVQMD-QLFBSQMISA-N 1 0 241.419 3.462 10 0 BGAERO CCCC[C@@H](C[NH3+])Nc1nccc2ccccc21 ZINC000168736887 385385097 /nfs/dbraw/zinc/38/50/97/385385097.db2.gz PGEVOODOXMDGCP-ZDUSSCGKSA-N 1 0 243.354 3.164 10 0 BGAERO CCCC[C@H](C[NH3+])Nc1nccc2ccccc21 ZINC000168736973 387908184 /nfs/dbraw/zinc/90/81/84/387908184.db2.gz PGEVOODOXMDGCP-CYBMUJFWSA-N 1 0 243.354 3.164 10 0 BGAERO CCC([NH3+])(CC)CNc1nccc2ccccc21 ZINC000168738196 387908359 /nfs/dbraw/zinc/90/83/59/387908359.db2.gz FAVKOUBHBOALLB-UHFFFAOYSA-N 1 0 243.354 3.164 10 0 BGAERO C[NH2+][C@H](c1c(F)cccc1Cl)C(C)C ZINC000168802082 357240407 /nfs/dbraw/zinc/24/04/07/357240407.db2.gz ZANFDOYTUNDYHT-NSHDSACASA-N 1 0 215.699 3.396 10 0 BGAERO C[NH2+][C@@H](c1c(F)cccc1Cl)C(C)C ZINC000168802185 357240251 /nfs/dbraw/zinc/24/02/51/357240251.db2.gz ZANFDOYTUNDYHT-LLVKDONJSA-N 1 0 215.699 3.396 10 0 BGAERO [NH3+]C1CCC(c2occc2Br)CC1 ZINC000168810491 357240779 /nfs/dbraw/zinc/24/07/79/357240779.db2.gz JVVYAOGXRIZHFR-UHFFFAOYSA-N 1 0 244.132 3.027 10 0 BGAERO [NH3+]C1CCC(c2ccc(Cl)s2)CC1 ZINC000168819674 357242672 /nfs/dbraw/zinc/24/26/72/357242672.db2.gz NEKNDKDSLJKQLW-UHFFFAOYSA-N 1 0 215.749 3.386 10 0 BGAERO CC[C@H]([NH2+]C)c1ccc(Br)cc1C ZINC000168827327 357247057 /nfs/dbraw/zinc/24/70/57/357247057.db2.gz PPQADEWCFKPETJ-NSHDSACASA-N 1 0 242.160 3.428 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccc(Br)cc1C ZINC000168827406 357246913 /nfs/dbraw/zinc/24/69/13/357246913.db2.gz PPQADEWCFKPETJ-LLVKDONJSA-N 1 0 242.160 3.428 10 0 BGAERO CC[C@H]([NH2+]C)c1cc(F)ccc1Br ZINC000168828544 357247007 /nfs/dbraw/zinc/24/70/07/357247007.db2.gz AJGFZQODGLXLIF-JTQLQIEISA-N 1 0 246.123 3.259 10 0 BGAERO CC[C@@H]([NH2+]C)c1cc(F)ccc1Br ZINC000168828635 357247087 /nfs/dbraw/zinc/24/70/87/357247087.db2.gz AJGFZQODGLXLIF-SNVBAGLBSA-N 1 0 246.123 3.259 10 0 BGAERO Clc1cccc([C@@H]2CCC[NH2+]CC2)c1 ZINC000168838776 346745588 /nfs/dbraw/zinc/74/55/88/346745588.db2.gz HDQVXPKZVAWFIX-SNVBAGLBSA-N 1 0 209.720 3.197 10 0 BGAERO Clc1cccc([C@H]2CCC[NH2+]CC2)c1 ZINC000168838865 346745647 /nfs/dbraw/zinc/74/56/47/346745647.db2.gz HDQVXPKZVAWFIX-JTQLQIEISA-N 1 0 209.720 3.197 10 0 BGAERO c1cnc2cc([C@@H]3CCC[NH2+]CC3)ccc2c1 ZINC000168843945 345402017 /nfs/dbraw/zinc/40/20/17/345402017.db2.gz SMCRWVPTYXUUEQ-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO c1cnc2cc([C@H]3CCC[NH2+]CC3)ccc2c1 ZINC000168844008 345402399 /nfs/dbraw/zinc/40/23/99/345402399.db2.gz SMCRWVPTYXUUEQ-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO c1ccc2ncc([C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000168850988 345400510 /nfs/dbraw/zinc/40/05/10/345400510.db2.gz LIKCXNSAEZOHMT-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO c1ccc2ncc([C@H]3CCC[NH2+]CC3)cc2c1 ZINC000168851075 345400638 /nfs/dbraw/zinc/40/06/38/345400638.db2.gz LIKCXNSAEZOHMT-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO c1cnc2ccc([C@@H]3CCC[NH2+]CC3)cc2c1 ZINC000168853033 345400664 /nfs/dbraw/zinc/40/06/64/345400664.db2.gz HHMFQSYGVOMLGR-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO c1cnc2ccc([C@H]3CCC[NH2+]CC3)cc2c1 ZINC000168853117 345400746 /nfs/dbraw/zinc/40/07/46/345400746.db2.gz HHMFQSYGVOMLGR-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO Clc1ccccc1[C@@H]1CCC[NH2+]CC1 ZINC000168853411 346746260 /nfs/dbraw/zinc/74/62/60/346746260.db2.gz LRQVYFSCYPEWFK-SNVBAGLBSA-N 1 0 209.720 3.197 10 0 BGAERO Clc1ccccc1[C@H]1CCC[NH2+]CC1 ZINC000168853499 357262442 /nfs/dbraw/zinc/26/24/42/357262442.db2.gz LRQVYFSCYPEWFK-JTQLQIEISA-N 1 0 209.720 3.197 10 0 BGAERO c1ccc2c(c1)cncc2[C@@H]1CCC[NH2+]CC1 ZINC000168859545 357369016 /nfs/dbraw/zinc/36/90/16/357369016.db2.gz NYIQINFANAFHSE-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO c1ccc2c(c1)cncc2[C@H]1CCC[NH2+]CC1 ZINC000168859639 345402333 /nfs/dbraw/zinc/40/23/33/345402333.db2.gz NYIQINFANAFHSE-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO c1cnc2cccc([C@@H]3CCC[NH2+]CC3)c2c1 ZINC000168866790 345403643 /nfs/dbraw/zinc/40/36/43/345403643.db2.gz LRAIAXIDPBMOJA-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO c1cnc2cccc([C@H]3CCC[NH2+]CC3)c2c1 ZINC000168866874 345403512 /nfs/dbraw/zinc/40/35/12/345403512.db2.gz LRAIAXIDPBMOJA-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO c1cc2cnccc2c([C@@H]2CCC[NH2+]CC2)c1 ZINC000168883385 357969269 /nfs/dbraw/zinc/96/92/69/357969269.db2.gz QUKGQFASOCLETI-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO c1cc2cnccc2c([C@H]2CCC[NH2+]CC2)c1 ZINC000168883474 357969400 /nfs/dbraw/zinc/96/94/00/357969400.db2.gz QUKGQFASOCLETI-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO C=C=CCCC[C@H]([NH3+])c1ccccc1F ZINC000168904545 345823839 /nfs/dbraw/zinc/82/38/39/345823839.db2.gz JUTKRPPWJOHKTI-ZDUSSCGKSA-N 1 0 205.276 3.337 10 0 BGAERO C=C=CCCC[C@@H]([NH3+])c1ccccc1F ZINC000168904621 345823828 /nfs/dbraw/zinc/82/38/28/345823828.db2.gz JUTKRPPWJOHKTI-CYBMUJFWSA-N 1 0 205.276 3.337 10 0 BGAERO C=C=CCCC[C@H]([NH3+])c1ccc(OC)cc1 ZINC000168959768 343621415 /nfs/dbraw/zinc/62/14/15/343621415.db2.gz FBQVIZCEHZCYDX-AWEZNQCLSA-N 1 0 217.312 3.206 10 0 BGAERO C=C=CCCC[C@@H]([NH3+])c1ccc(OC)cc1 ZINC000168959846 345826846 /nfs/dbraw/zinc/82/68/46/345826846.db2.gz FBQVIZCEHZCYDX-CQSZACIVSA-N 1 0 217.312 3.206 10 0 BGAERO CC[NH2+][C@@H](C)c1cc(F)c(Cl)cc1F ZINC000169059099 358098675 /nfs/dbraw/zinc/09/86/75/358098675.db2.gz RSGCNOCTNARKGE-LURJTMIESA-N 1 0 219.662 3.289 10 0 BGAERO CC[NH2+][C@H](C)c1cc(F)c(Cl)cc1F ZINC000169059167 358099172 /nfs/dbraw/zinc/09/91/72/358099172.db2.gz RSGCNOCTNARKGE-ZCFIWIBFSA-N 1 0 219.662 3.289 10 0 BGAERO CC[NH2+][C@@H](C)c1ccc(C)cc1Br ZINC000169112378 359073411 /nfs/dbraw/zinc/07/34/11/359073411.db2.gz NTWNIIPCFIIQEL-VIFPVBQESA-N 1 0 242.160 3.428 10 0 BGAERO CC[NH2+][C@H](C)c1ccc(C)cc1Br ZINC000169112468 359073735 /nfs/dbraw/zinc/07/37/35/359073735.db2.gz NTWNIIPCFIIQEL-SECBINFHSA-N 1 0 242.160 3.428 10 0 BGAERO [NH3+][C@@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000169126117 345838335 /nfs/dbraw/zinc/83/83/35/345838335.db2.gz SPFQYFLIJVIOGP-ZDUSSCGKSA-N 1 0 233.698 3.094 10 0 BGAERO [NH3+][C@H](c1ccccc1)c1cc(Cl)ccc1O ZINC000169126202 345838614 /nfs/dbraw/zinc/83/86/14/345838614.db2.gz SPFQYFLIJVIOGP-CYBMUJFWSA-N 1 0 233.698 3.094 10 0 BGAERO CCC[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000169126208 537851793 /nfs/dbraw/zinc/85/17/93/537851793.db2.gz NSTARCNLUVAPDA-GFSREQAASA-N 1 0 221.388 3.447 10 0 BGAERO CCC[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000169126299 537852007 /nfs/dbraw/zinc/85/20/07/537852007.db2.gz NSTARCNLUVAPDA-IBEXFIOLSA-N 1 0 221.388 3.447 10 0 BGAERO CC[NH2+][C@@H](C)c1cc(F)ccc1Br ZINC000169143040 359359088 /nfs/dbraw/zinc/35/90/88/359359088.db2.gz JOJSNNAOYLCILG-ZETCQYMHSA-N 1 0 246.123 3.259 10 0 BGAERO CC[NH2+][C@H](C)c1cc(F)ccc1Br ZINC000169143122 357264860 /nfs/dbraw/zinc/26/48/60/357264860.db2.gz JOJSNNAOYLCILG-SSDOTTSWSA-N 1 0 246.123 3.259 10 0 BGAERO CC[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000169163739 537851827 /nfs/dbraw/zinc/85/18/27/537851827.db2.gz IDZJBEKGWFDUHT-FTPDJBBVSA-N 1 0 207.361 3.057 10 0 BGAERO CC[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000169163824 537852243 /nfs/dbraw/zinc/85/22/43/537852243.db2.gz IDZJBEKGWFDUHT-UIBFTYAWSA-N 1 0 207.361 3.057 10 0 BGAERO C[NH2+]C(C)(C)C(=O)c1cccc(Cl)c1Cl ZINC000169184750 359700152 /nfs/dbraw/zinc/70/01/52/359700152.db2.gz ROMAWOCTYCCMNB-UHFFFAOYSA-N 1 0 246.137 3.174 10 0 BGAERO CNc1ccc(Cl)cc1[C@@H]([NH3+])c1ccccc1 ZINC000169199613 384667974 /nfs/dbraw/zinc/66/79/74/384667974.db2.gz HQMWRXORWPOELC-AWEZNQCLSA-N 1 0 246.741 3.430 10 0 BGAERO C[NH2+][C@@H](C)c1cccc(Br)c1Cl ZINC000169207937 359775999 /nfs/dbraw/zinc/77/59/99/359775999.db2.gz CDGMNQMKMWFAOA-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1cccc(Br)c1Cl ZINC000169208021 357264167 /nfs/dbraw/zinc/26/41/67/357264167.db2.gz CDGMNQMKMWFAOA-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO CCSc1ccc(C[NH3+])cc1Br ZINC000169218790 346755985 /nfs/dbraw/zinc/75/59/85/346755985.db2.gz NIMFROUIDIGDMB-UHFFFAOYSA-N 1 0 246.173 3.020 10 0 BGAERO COc1cc([C@H]([NH3+])CC(C)C)ccc1C ZINC000169261061 359981879 /nfs/dbraw/zinc/98/18/79/359981879.db2.gz WTILTJLKYFDRCP-GFCCVEGCSA-N 1 0 207.317 3.050 10 0 BGAERO COc1cc([C@@H]([NH3+])CC(C)C)ccc1C ZINC000169261139 359981533 /nfs/dbraw/zinc/98/15/33/359981533.db2.gz WTILTJLKYFDRCP-LBPRGKRZSA-N 1 0 207.317 3.050 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccccc1OC(F)F ZINC000169270185 360019825 /nfs/dbraw/zinc/01/98/25/360019825.db2.gz FHPPQNOCUZBLMS-JTQLQIEISA-N 1 0 229.270 3.334 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccccc1OC(F)F ZINC000169270255 360019178 /nfs/dbraw/zinc/01/91/78/360019178.db2.gz FHPPQNOCUZBLMS-SNVBAGLBSA-N 1 0 229.270 3.334 10 0 BGAERO [NH3+]C1(c2cccc(Cl)c2F)CCCC1 ZINC000169272477 360045348 /nfs/dbraw/zinc/04/53/48/360045348.db2.gz XIDHEXLCNHIINX-UHFFFAOYSA-N 1 0 213.683 3.207 10 0 BGAERO CCC([NH3+])(CC)c1cccc(Cl)c1F ZINC000169273323 360045944 /nfs/dbraw/zinc/04/59/44/360045944.db2.gz KAIOUQQIRSLDGI-UHFFFAOYSA-N 1 0 215.699 3.453 10 0 BGAERO C[C@@H]1CC[C@]1([NH3+])c1cccc(Cl)c1F ZINC000169273887 360046253 /nfs/dbraw/zinc/04/62/53/360046253.db2.gz ZSPAFQXDMDRALA-RDDDGLTNSA-N 1 0 213.683 3.063 10 0 BGAERO C[C@H]1CC[C@]1([NH3+])c1cccc(Cl)c1F ZINC000169273960 360046319 /nfs/dbraw/zinc/04/63/19/360046319.db2.gz ZSPAFQXDMDRALA-WRWORJQWSA-N 1 0 213.683 3.063 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000169274040 360046234 /nfs/dbraw/zinc/04/62/34/360046234.db2.gz FPCPYSJMTSJTLB-NSHDSACASA-N 1 0 229.270 3.334 10 0 BGAERO C[C@@H]1CC[C@@]1([NH3+])c1cccc(Cl)c1F ZINC000169274041 360045921 /nfs/dbraw/zinc/04/59/21/360045921.db2.gz ZSPAFQXDMDRALA-HQJQHLMTSA-N 1 0 213.683 3.063 10 0 BGAERO C[C@H]1CC[C@@]1([NH3+])c1cccc(Cl)c1F ZINC000169274101 346758087 /nfs/dbraw/zinc/75/80/87/346758087.db2.gz ZSPAFQXDMDRALA-CPCISQLKSA-N 1 0 213.683 3.063 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc(OC(F)F)cc1 ZINC000169274125 360046171 /nfs/dbraw/zinc/04/61/71/360046171.db2.gz FPCPYSJMTSJTLB-LLVKDONJSA-N 1 0 229.270 3.334 10 0 BGAERO CC(C)[C@H]([NH3+])Cc1cccc(Cl)c1F ZINC000169287683 360070106 /nfs/dbraw/zinc/07/01/06/360070106.db2.gz WNZLMDPJBIQVEM-SNVBAGLBSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)[C@@H]([NH3+])Cc1cccc(Cl)c1F ZINC000169287760 360070204 /nfs/dbraw/zinc/07/02/04/360070204.db2.gz WNZLMDPJBIQVEM-JTQLQIEISA-N 1 0 215.699 3.005 10 0 BGAERO Cc1ccc2c(c1)C(c1ccccc1)=[NH+]CC2 ZINC000169314377 384670553 /nfs/dbraw/zinc/67/05/53/384670553.db2.gz YSLRQCLPBLEOMW-UHFFFAOYSA-N 1 0 221.303 3.389 10 0 BGAERO COc1cccc2c1CCC(C[NH+]1CCCC1)=C2 ZINC000169324779 175300979 /nfs/dbraw/zinc/30/09/79/175300979.db2.gz FGTPYPCXWWAPOO-UHFFFAOYSA-N 1 0 243.350 3.121 10 0 BGAERO COc1ccc2c(c1)C=C(C[NH+]1CCCC1)CC2 ZINC000169324781 175207611 /nfs/dbraw/zinc/20/76/11/175207611.db2.gz XYQNJJVEBUCBPJ-UHFFFAOYSA-N 1 0 243.350 3.121 10 0 BGAERO CC[C@@]12C[C@H]3C[C@@H](c4ccc(O)cc41)[C@@H](C2)[N@@H+]3C ZINC000169338037 171217878 /nfs/dbraw/zinc/21/78/78/171217878.db2.gz WVSDGILFXSXWGV-SUZRMVIJSA-N 1 0 243.350 3.004 10 0 BGAERO Cc1ccc(C)c2c3c([nH]c21)CC[C@@H]([NH+](C)C)C3 ZINC000169346221 178508971 /nfs/dbraw/zinc/50/89/71/178508971.db2.gz KDZNWMRCHGVHAE-GFCCVEGCSA-N 1 0 242.366 3.204 10 0 BGAERO Cc1ccc(C)c2c3c([nH]c21)CC[C@H]([NH+](C)C)C3 ZINC000169346223 178509444 /nfs/dbraw/zinc/50/94/44/178509444.db2.gz KDZNWMRCHGVHAE-LBPRGKRZSA-N 1 0 242.366 3.204 10 0 BGAERO CCCCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000169349238 187991039 /nfs/dbraw/zinc/99/10/39/187991039.db2.gz AETRMEAALJJLHQ-UHFFFAOYSA-N 1 0 207.361 3.330 10 0 BGAERO [NH3+]C1(Cc2ccccc2)C2CC3CC(C2)CC1C3 ZINC000169349241 181332705 /nfs/dbraw/zinc/33/27/05/181332705.db2.gz MCQTWDNAGXSQHU-UHFFFAOYSA-N 1 0 241.378 3.383 10 0 BGAERO C[N@@H+]1C[C@H]2C[C@@]2(c2ccc(Cl)cc2Cl)C1 ZINC000169709003 173199904 /nfs/dbraw/zinc/19/99/04/173199904.db2.gz NINMSEOZKXYKQY-PRHODGIISA-N 1 0 242.149 3.197 10 0 BGAERO C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CCS1 ZINC000170901364 134255075 /nfs/dbraw/zinc/25/50/75/134255075.db2.gz IXJCGDFYXQWAAB-OQHXTRMZSA-N 1 0 233.380 3.137 10 0 BGAERO C[C@H]1C[N@H+](C/C=C/c2ccccc2)CCS1 ZINC000170901368 134254709 /nfs/dbraw/zinc/25/47/09/134254709.db2.gz IXJCGDFYXQWAAB-LJLILKBBSA-N 1 0 233.380 3.137 10 0 BGAERO CCn1ccnc1C[N@H+](C(C)C)C1CCCC1 ZINC000170985746 384543244 /nfs/dbraw/zinc/54/32/44/384543244.db2.gz RJVGPIVCQMXSAR-UHFFFAOYSA-N 1 0 235.375 3.056 10 0 BGAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CCS[C@H](C)C1 ZINC000171685693 134259850 /nfs/dbraw/zinc/25/98/50/134259850.db2.gz KWACZZJRPYICEB-MNOVXSKESA-N 1 0 239.359 3.324 10 0 BGAERO C[C@@H](c1cccc(F)c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171685696 134260167 /nfs/dbraw/zinc/26/01/67/134260167.db2.gz KWACZZJRPYICEB-QWRGUYRKSA-N 1 0 239.359 3.324 10 0 BGAERO C[C@@H]1C[N@H+](Cc2cccc(Cl)c2)CCS1 ZINC000171685735 134259936 /nfs/dbraw/zinc/25/99/36/134259936.db2.gz ADXVASFZIODYCA-SNVBAGLBSA-N 1 0 241.787 3.277 10 0 BGAERO C[C@H]1C[N@H+](Cc2cccc(Cl)c2)CCS1 ZINC000171685738 134260038 /nfs/dbraw/zinc/26/00/38/134260038.db2.gz ADXVASFZIODYCA-JTQLQIEISA-N 1 0 241.787 3.277 10 0 BGAERO C[C@@H]1C[N@H+](CC2CCCCC2)CCS1 ZINC000171685793 134260146 /nfs/dbraw/zinc/26/01/46/134260146.db2.gz YKHQQFRRBZTLCY-LLVKDONJSA-N 1 0 213.390 3.004 10 0 BGAERO C[C@H]1C[N@H+](CC2CCCCC2)CCS1 ZINC000171685798 134259963 /nfs/dbraw/zinc/25/99/63/134259963.db2.gz YKHQQFRRBZTLCY-NSHDSACASA-N 1 0 213.390 3.004 10 0 BGAERO Cc1cc(C[N@@H+]2CCS[C@H](C)C2)c(C)s1 ZINC000171687163 134259790 /nfs/dbraw/zinc/25/97/90/134259790.db2.gz RRBYPCIJROCIAK-SNVBAGLBSA-N 1 0 241.425 3.302 10 0 BGAERO Cc1cc(C[N@@H+]2CCS[C@@H](C)C2)c(C)s1 ZINC000171687170 134260232 /nfs/dbraw/zinc/26/02/32/134260232.db2.gz RRBYPCIJROCIAK-JTQLQIEISA-N 1 0 241.425 3.302 10 0 BGAERO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCS[C@H](C)C1 ZINC000171688135 134260257 /nfs/dbraw/zinc/26/02/57/134260257.db2.gz WHSGBQCIRMRPCP-MNOVXSKESA-N 1 0 239.359 3.324 10 0 BGAERO C[C@@H](c1ccc(F)cc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171688141 134259970 /nfs/dbraw/zinc/25/99/70/134259970.db2.gz WHSGBQCIRMRPCP-QWRGUYRKSA-N 1 0 239.359 3.324 10 0 BGAERO C[C@@H](c1ccccc1F)[N@@H+]1CCS[C@H](C)C1 ZINC000171690791 134260266 /nfs/dbraw/zinc/26/02/66/134260266.db2.gz VUIJXKSZNSASKF-MNOVXSKESA-N 1 0 239.359 3.324 10 0 BGAERO C[C@@H](c1ccccc1F)[N@@H+]1CCS[C@@H](C)C1 ZINC000171690795 134259905 /nfs/dbraw/zinc/25/99/05/134259905.db2.gz VUIJXKSZNSASKF-QWRGUYRKSA-N 1 0 239.359 3.324 10 0 BGAERO C[C@@H]1C[N@H+](CCCc2ccccc2)CCS1 ZINC000171694739 134260180 /nfs/dbraw/zinc/26/01/80/134260180.db2.gz BLXYCIYAOZRSRG-CYBMUJFWSA-N 1 0 235.396 3.057 10 0 BGAERO C[C@H]1C[N@H+](CCCc2ccccc2)CCS1 ZINC000171694745 134259812 /nfs/dbraw/zinc/25/98/12/134259812.db2.gz BLXYCIYAOZRSRG-ZDUSSCGKSA-N 1 0 235.396 3.057 10 0 BGAERO C[C@@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000171699302 177274518 /nfs/dbraw/zinc/27/45/18/177274518.db2.gz BMHJXLDHZTZAPY-RYUDHWBXSA-N 1 0 221.369 3.185 10 0 BGAERO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCS1 ZINC000171703011 134260457 /nfs/dbraw/zinc/26/04/57/134260457.db2.gz JBRFCALTXPIXQK-SNVBAGLBSA-N 1 0 241.787 3.277 10 0 BGAERO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCS1 ZINC000171703015 134260726 /nfs/dbraw/zinc/26/07/26/134260726.db2.gz JBRFCALTXPIXQK-JTQLQIEISA-N 1 0 241.787 3.277 10 0 BGAERO C[C@@H]1C[N@H+](Cc2ccccc2Cl)CCS1 ZINC000171703042 134260371 /nfs/dbraw/zinc/26/03/71/134260371.db2.gz USAQKYAPKMLPGW-SNVBAGLBSA-N 1 0 241.787 3.277 10 0 BGAERO C[C@H]1C[N@H+](Cc2ccccc2Cl)CCS1 ZINC000171703045 134260391 /nfs/dbraw/zinc/26/03/91/134260391.db2.gz USAQKYAPKMLPGW-JTQLQIEISA-N 1 0 241.787 3.277 10 0 BGAERO C[Si](C)(C)C[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000171709303 641003617 /nfs/dbraw/zinc/00/36/17/641003617.db2.gz CKCJHSXGIDHPSN-VIFPVBQESA-N 1 0 239.357 3.138 10 0 BGAERO C[Si](C)(C)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000171709306 641002797 /nfs/dbraw/zinc/00/27/97/641002797.db2.gz CKCJHSXGIDHPSN-SECBINFHSA-N 1 0 239.357 3.138 10 0 BGAERO c1coc([C@H]2CCC[N@H+]2CCc2cccnc2)c1 ZINC000172025230 365273410 /nfs/dbraw/zinc/27/34/10/365273410.db2.gz VGTAZDHIDBELKY-CQSZACIVSA-N 1 0 242.322 3.054 10 0 BGAERO c1coc([C@@H]2CCC[N@H+]2CCc2cccnc2)c1 ZINC000172025235 365272692 /nfs/dbraw/zinc/27/26/92/365272692.db2.gz VGTAZDHIDBELKY-AWEZNQCLSA-N 1 0 242.322 3.054 10 0 BGAERO C[Si](C)(C)C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000172025302 641028706 /nfs/dbraw/zinc/02/87/06/641028706.db2.gz LDDFPBSRDGHZHU-LLVKDONJSA-N 1 0 223.392 3.294 10 0 BGAERO C[Si](C)(C)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000172025305 641028732 /nfs/dbraw/zinc/02/87/32/641028732.db2.gz LDDFPBSRDGHZHU-NSHDSACASA-N 1 0 223.392 3.294 10 0 BGAERO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000172272320 384560125 /nfs/dbraw/zinc/56/01/25/384560125.db2.gz CDRICVMORUPNDE-KBPBESRZSA-N 1 0 231.343 3.045 10 0 BGAERO c1n[nH]cc1[C@H]1CCCC[N@@H+]1[C@H]1C=CCCC1 ZINC000172272325 384559622 /nfs/dbraw/zinc/55/96/22/384559622.db2.gz CDRICVMORUPNDE-UONOGXRCSA-N 1 0 231.343 3.045 10 0 BGAERO CSCC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000172988108 384645092 /nfs/dbraw/zinc/64/50/92/384645092.db2.gz JDSXPLFZMYWZHS-LBPRGKRZSA-N 1 0 239.384 3.478 10 0 BGAERO CSCC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000172988114 384644719 /nfs/dbraw/zinc/64/47/19/384644719.db2.gz JDSXPLFZMYWZHS-GFCCVEGCSA-N 1 0 239.384 3.478 10 0 BGAERO CSCCC[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000173653104 134275691 /nfs/dbraw/zinc/27/56/91/134275691.db2.gz JNOIAYDWEBSVJB-LLVKDONJSA-N 1 0 225.357 3.170 10 0 BGAERO CSCCC[N@@H+]1CCC[C@H]1c1ccco1 ZINC000173653114 134275874 /nfs/dbraw/zinc/27/58/74/134275874.db2.gz JNOIAYDWEBSVJB-NSHDSACASA-N 1 0 225.357 3.170 10 0 BGAERO CC(C)n1ccnc1C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000174243099 134279539 /nfs/dbraw/zinc/27/95/39/134279539.db2.gz MYDSPDYFVLCAPP-BETUJISGSA-N 1 0 235.375 3.227 10 0 BGAERO CCCCSCc1nccn1C(C)C ZINC000175286446 346894311 /nfs/dbraw/zinc/89/43/11/346894311.db2.gz INVNCDABVFXIKG-UHFFFAOYSA-N 1 0 212.362 3.497 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CO)C1CCCCC1 ZINC000177359131 384982776 /nfs/dbraw/zinc/98/27/76/384982776.db2.gz BEYYDZWHBYOXTN-NWANDNLSSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@H]([NH2+][C@H]1CCCC[C@@H]1CO)C1CCCCC1 ZINC000177359158 384982470 /nfs/dbraw/zinc/98/24/70/384982470.db2.gz BEYYDZWHBYOXTN-CFVMTHIKSA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)n1ccnc1C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000177571743 366009673 /nfs/dbraw/zinc/00/96/73/366009673.db2.gz FFKYKECRZJVOKD-ZIAGYGMSSA-N 1 0 247.386 3.086 10 0 BGAERO CC(C)n1ccnc1C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000177571759 366010037 /nfs/dbraw/zinc/01/00/37/366010037.db2.gz FFKYKECRZJVOKD-KBPBESRZSA-N 1 0 247.386 3.086 10 0 BGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@@H](C)c1ccccc1 ZINC000177696493 535547354 /nfs/dbraw/zinc/54/73/54/535547354.db2.gz AFPLTBOSGMSJPK-GOEBONIOSA-N 1 0 246.398 3.164 10 0 BGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@@H](C)c1ccccc1 ZINC000177696510 535592913 /nfs/dbraw/zinc/59/29/13/535592913.db2.gz AFPLTBOSGMSJPK-HOCLYGCPSA-N 1 0 246.398 3.164 10 0 BGAERO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)[C@@H]1C ZINC000177904001 134301606 /nfs/dbraw/zinc/30/16/06/134301606.db2.gz NYYUWDOZPFUAOE-CHWSQXEVSA-N 1 0 240.350 3.465 10 0 BGAERO C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1ccc2ccccc2n1 ZINC000177904014 134301730 /nfs/dbraw/zinc/30/17/30/134301730.db2.gz NYYUWDOZPFUAOE-QWHCGFSZSA-N 1 0 240.350 3.465 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000178063713 134302682 /nfs/dbraw/zinc/30/26/82/134302682.db2.gz MTKGZWOOJPQDPT-UONOGXRCSA-N 1 0 235.371 3.226 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)COCc1ccccc1 ZINC000178063723 134302710 /nfs/dbraw/zinc/30/27/10/134302710.db2.gz MTKGZWOOJPQDPT-KBPBESRZSA-N 1 0 235.371 3.226 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000178063734 134302708 /nfs/dbraw/zinc/30/27/08/134302708.db2.gz MTKGZWOOJPQDPT-ZIAGYGMSSA-N 1 0 235.371 3.226 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](C)COCc1ccccc1 ZINC000178063746 534972264 /nfs/dbraw/zinc/97/22/64/534972264.db2.gz MTKGZWOOJPQDPT-KGLIPLIRSA-N 1 0 235.371 3.226 10 0 BGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H](C)C1CCC1 ZINC000178063825 134302645 /nfs/dbraw/zinc/30/26/45/134302645.db2.gz NIDXGPWQATUPNQ-KBPBESRZSA-N 1 0 247.382 3.370 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H](C)C1CCC1 ZINC000178063837 134302759 /nfs/dbraw/zinc/30/27/59/134302759.db2.gz NIDXGPWQATUPNQ-KGLIPLIRSA-N 1 0 247.382 3.370 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)COCc1ccccc1)C1CCC1 ZINC000178063849 134302538 /nfs/dbraw/zinc/30/25/38/134302538.db2.gz NIDXGPWQATUPNQ-UONOGXRCSA-N 1 0 247.382 3.370 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)C1CCC1 ZINC000178063861 134302694 /nfs/dbraw/zinc/30/26/94/134302694.db2.gz NIDXGPWQATUPNQ-ZIAGYGMSSA-N 1 0 247.382 3.370 10 0 BGAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000178147856 174263796 /nfs/dbraw/zinc/26/37/96/174263796.db2.gz UJHJHSFRDHGPTO-KBPBESRZSA-N 1 0 235.371 3.461 10 0 BGAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000178147883 174261958 /nfs/dbraw/zinc/26/19/58/174261958.db2.gz UJHJHSFRDHGPTO-KGLIPLIRSA-N 1 0 235.371 3.461 10 0 BGAERO COCCC[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000178177206 174264273 /nfs/dbraw/zinc/26/42/73/174264273.db2.gz FERUMZSLJUQHEZ-QWRGUYRKSA-N 1 0 227.373 3.214 10 0 BGAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000178177216 174261915 /nfs/dbraw/zinc/26/19/15/174261915.db2.gz FERUMZSLJUQHEZ-MNOVXSKESA-N 1 0 227.373 3.214 10 0 BGAERO COCCC[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000178177225 174264392 /nfs/dbraw/zinc/26/43/92/174264392.db2.gz FERUMZSLJUQHEZ-WDEREUQCSA-N 1 0 227.373 3.214 10 0 BGAERO COCCC[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000178177236 174261349 /nfs/dbraw/zinc/26/13/49/174261349.db2.gz FERUMZSLJUQHEZ-GHMZBOCLSA-N 1 0 227.373 3.214 10 0 BGAERO Cc1ccccc1[C@H](C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000178255019 134305413 /nfs/dbraw/zinc/30/54/13/134305413.db2.gz PIOHPBVHTJAEAC-MCIONIFRSA-N 1 0 233.355 3.165 10 0 BGAERO Cc1nccn1C[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000178296677 134306239 /nfs/dbraw/zinc/30/62/39/134306239.db2.gz AMAKFKDVBMNVNA-AWEZNQCLSA-N 1 0 249.402 3.092 10 0 BGAERO Cc1nccn1C[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC000178296695 134305963 /nfs/dbraw/zinc/30/59/63/134305963.db2.gz AMAKFKDVBMNVNA-CQSZACIVSA-N 1 0 249.402 3.092 10 0 BGAERO COCCC[C@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000178302323 174264548 /nfs/dbraw/zinc/26/45/48/174264548.db2.gz FRRMMRAHZCINFT-CMPLNLGQSA-N 1 0 225.332 3.054 10 0 BGAERO COCCC[C@H](C)[NH2+][C@@H](C)c1ccc(C)o1 ZINC000178302339 174263833 /nfs/dbraw/zinc/26/38/33/174263833.db2.gz FRRMMRAHZCINFT-JQWIXIFHSA-N 1 0 225.332 3.054 10 0 BGAERO COCCC[C@@H](C)[NH2+][C@H](C)c1ccc(C)o1 ZINC000178302355 174261636 /nfs/dbraw/zinc/26/16/36/174261636.db2.gz FRRMMRAHZCINFT-ZYHUDNBSSA-N 1 0 225.332 3.054 10 0 BGAERO CCCCCC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178331795 633841896 /nfs/dbraw/zinc/84/18/96/633841896.db2.gz BQDUDQDOMBTHSU-OAHLLOKOSA-N 1 0 249.402 3.236 10 0 BGAERO CCCCCC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178331817 633816631 /nfs/dbraw/zinc/81/66/31/633816631.db2.gz BQDUDQDOMBTHSU-HNNXBMFYSA-N 1 0 249.402 3.236 10 0 BGAERO C[C@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CCC1 ZINC000178442850 134306911 /nfs/dbraw/zinc/30/69/11/134306911.db2.gz LXWKXALERHDZML-BBRMVZONSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@@H]([NH2+][C@@H](CN(C)C)c1ccccc1)C1CCC1 ZINC000178442859 134306805 /nfs/dbraw/zinc/30/68/05/134306805.db2.gz LXWKXALERHDZML-CJNGLKHVSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CCC1 ZINC000178442867 134306850 /nfs/dbraw/zinc/30/68/50/134306850.db2.gz LXWKXALERHDZML-XJKSGUPXSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@@H]([NH2+][C@H](CN(C)C)c1ccccc1)C1CCC1 ZINC000178442873 134306737 /nfs/dbraw/zinc/30/67/37/134306737.db2.gz LXWKXALERHDZML-CZUORRHYSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCS1 ZINC000178528136 134308185 /nfs/dbraw/zinc/30/81/85/134308185.db2.gz JYCLXRGMOHYSEW-LLVKDONJSA-N 1 0 247.363 3.370 10 0 BGAERO C[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCS1 ZINC000178528146 134307814 /nfs/dbraw/zinc/30/78/14/134307814.db2.gz JYCLXRGMOHYSEW-NSHDSACASA-N 1 0 247.363 3.370 10 0 BGAERO C[C@H]1COC[C@H](C)N1Cc1cc2ccccc2o1 ZINC000178539085 177300308 /nfs/dbraw/zinc/30/03/08/177300308.db2.gz BANQJQALTMYHPB-RYUDHWBXSA-N 1 0 245.322 3.042 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2ccccc2n1 ZINC000178685282 385409476 /nfs/dbraw/zinc/40/94/76/385409476.db2.gz UXPJGNMKTWEUMJ-ZETOZRRWSA-N 1 0 226.323 3.294 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc2ccccc2n1 ZINC000178685292 385409280 /nfs/dbraw/zinc/40/92/80/385409280.db2.gz UXPJGNMKTWEUMJ-PGUXBMHVSA-N 1 0 226.323 3.294 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc2ccccc2n1 ZINC000178685306 385409040 /nfs/dbraw/zinc/40/90/40/385409040.db2.gz UXPJGNMKTWEUMJ-JRPNMDOOSA-N 1 0 226.323 3.294 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc2ccccc2n1 ZINC000178685321 385408513 /nfs/dbraw/zinc/40/85/13/385408513.db2.gz UXPJGNMKTWEUMJ-ZIBATOQPSA-N 1 0 226.323 3.294 10 0 BGAERO CC[C@@H](C[N@H+](CC)CC(C)(C)O)c1ccccc1 ZINC000179685126 366285766 /nfs/dbraw/zinc/28/57/66/366285766.db2.gz FONINUJJJQPINT-AWEZNQCLSA-N 1 0 249.398 3.273 10 0 BGAERO CC[C@H](C[N@H+](CC)CC(C)(C)O)c1ccccc1 ZINC000179685141 366285330 /nfs/dbraw/zinc/28/53/30/366285330.db2.gz FONINUJJJQPINT-CQSZACIVSA-N 1 0 249.398 3.273 10 0 BGAERO Fc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cc[nH]c1 ZINC000179916006 259305436 /nfs/dbraw/zinc/30/54/36/259305436.db2.gz HQWASXOTGXAXDD-HNNXBMFYSA-N 1 0 244.313 3.321 10 0 BGAERO Fc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cc[nH]c1 ZINC000179916025 259305980 /nfs/dbraw/zinc/30/59/80/259305980.db2.gz HQWASXOTGXAXDD-OAHLLOKOSA-N 1 0 244.313 3.321 10 0 BGAERO Cc1n[nH]cc1[C@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000179976941 538956940 /nfs/dbraw/zinc/95/69/40/538956940.db2.gz IMOJYSHAXYMWIL-RYUDHWBXSA-N 1 0 243.354 3.438 10 0 BGAERO Cc1n[nH]cc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1C ZINC000179976973 538956946 /nfs/dbraw/zinc/95/69/46/538956946.db2.gz IMOJYSHAXYMWIL-NWDGAFQWSA-N 1 0 243.354 3.438 10 0 BGAERO CCC[C@@H](C)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000179981413 535325391 /nfs/dbraw/zinc/32/53/91/535325391.db2.gz GOLIMXCCTAHHJI-CYBMUJFWSA-N 1 0 249.402 3.036 10 0 BGAERO CCC[C@H](C)C[NH+]1CCC(c2ccnn2C)CC1 ZINC000179981429 535609017 /nfs/dbraw/zinc/60/90/17/535609017.db2.gz GOLIMXCCTAHHJI-ZDUSSCGKSA-N 1 0 249.402 3.036 10 0 BGAERO CCC[C@@H](C)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000179981847 535326637 /nfs/dbraw/zinc/32/66/37/535326637.db2.gz YESZTZNMVZNEFH-GFCCVEGCSA-N 1 0 235.375 3.025 10 0 BGAERO CCC[C@H](C)C[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000179981861 535607767 /nfs/dbraw/zinc/60/77/67/535607767.db2.gz YESZTZNMVZNEFH-LBPRGKRZSA-N 1 0 235.375 3.025 10 0 BGAERO Cc1ccc(F)cc1C[N@@H+]1CCS[C@@H](C)C1 ZINC000180069546 134326021 /nfs/dbraw/zinc/32/60/21/134326021.db2.gz HRUUQVYBXQRHGS-NSHDSACASA-N 1 0 239.359 3.071 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000180102525 366375948 /nfs/dbraw/zinc/37/59/48/366375948.db2.gz HYAGSTVCZYRIEY-CVEARBPZSA-N 1 0 247.382 3.197 10 0 BGAERO CC[C@@](C)(O)C[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000180102545 366376801 /nfs/dbraw/zinc/37/68/01/366376801.db2.gz HYAGSTVCZYRIEY-HZPDHXFCSA-N 1 0 247.382 3.197 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000180102558 366376367 /nfs/dbraw/zinc/37/63/67/366376367.db2.gz HYAGSTVCZYRIEY-HOTGVXAUSA-N 1 0 247.382 3.197 10 0 BGAERO CC[C@@](C)(O)C[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000180102573 366376641 /nfs/dbraw/zinc/37/66/41/366376641.db2.gz HYAGSTVCZYRIEY-JKSUJKDBSA-N 1 0 247.382 3.197 10 0 BGAERO CCC[C@@H](C)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000180125595 535325567 /nfs/dbraw/zinc/32/55/67/535325567.db2.gz VVVUVDDESSVDCN-CQSZACIVSA-N 1 0 249.402 3.031 10 0 BGAERO CCC[C@H](C)C[NH+]1CCC(Cn2cccn2)CC1 ZINC000180125614 535609165 /nfs/dbraw/zinc/60/91/65/535609165.db2.gz VVVUVDDESSVDCN-AWEZNQCLSA-N 1 0 249.402 3.031 10 0 BGAERO CCC[C@@H](C)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000180140584 366382710 /nfs/dbraw/zinc/38/27/10/366382710.db2.gz PWVOUZUUUUVRFT-HIFRSBDPSA-N 1 0 249.402 3.265 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000180140602 366382133 /nfs/dbraw/zinc/38/21/33/366382133.db2.gz PWVOUZUUUUVRFT-ZFWWWQNUSA-N 1 0 249.402 3.265 10 0 BGAERO CCC1CCC([NH2+][C@@H](C)c2c[nH]nc2C)CC1 ZINC000180168370 538957129 /nfs/dbraw/zinc/95/71/29/538957129.db2.gz CZKAPRBZPWPHFC-PKSQDBQZSA-N 1 0 235.375 3.338 10 0 BGAERO CCC1CCC([NH2+][C@H](C)c2c[nH]nc2C)CC1 ZINC000180168385 538957292 /nfs/dbraw/zinc/95/72/92/538957292.db2.gz CZKAPRBZPWPHFC-QFWMXSHPSA-N 1 0 235.375 3.338 10 0 BGAERO CC[C@@H](C)C[NH2+][C@@H](C)COCc1ccccc1 ZINC000180241062 538957300 /nfs/dbraw/zinc/95/73/00/538957300.db2.gz IRDLIDJRNCKTDS-KGLIPLIRSA-N 1 0 235.371 3.227 10 0 BGAERO CC[C@H](C)C[NH2+][C@@H](C)COCc1ccccc1 ZINC000180241077 538957405 /nfs/dbraw/zinc/95/74/05/538957405.db2.gz IRDLIDJRNCKTDS-KBPBESRZSA-N 1 0 235.371 3.227 10 0 BGAERO CC[C@@H](C)C[NH2+][C@H](C)COCc1ccccc1 ZINC000180241094 538957692 /nfs/dbraw/zinc/95/76/92/538957692.db2.gz IRDLIDJRNCKTDS-ZIAGYGMSSA-N 1 0 235.371 3.227 10 0 BGAERO CC[C@H](C)C[NH2+][C@H](C)COCc1ccccc1 ZINC000180241111 538957619 /nfs/dbraw/zinc/95/76/19/538957619.db2.gz IRDLIDJRNCKTDS-UONOGXRCSA-N 1 0 235.371 3.227 10 0 BGAERO CCC[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000180262823 366404196 /nfs/dbraw/zinc/40/41/96/366404196.db2.gz FEHMCPHOUBCYPD-TZMCWYRMSA-N 1 0 235.375 3.373 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CCCC[C@@H]1c1cn[nH]c1 ZINC000180262843 366404881 /nfs/dbraw/zinc/40/48/81/366404881.db2.gz FEHMCPHOUBCYPD-GXTWGEPZSA-N 1 0 235.375 3.373 10 0 BGAERO CC(C)n1ccnc1C[NH+](C(C)C)C(C)C ZINC000180447180 535122883 /nfs/dbraw/zinc/12/28/83/535122883.db2.gz STATUADTPWTEJO-UHFFFAOYSA-N 1 0 223.364 3.083 10 0 BGAERO COc1ccc([C@@H](C)C[NH2+]Cc2ccoc2)cc1 ZINC000180519524 385527662 /nfs/dbraw/zinc/52/76/62/385527662.db2.gz PLYBHPZPZQWGPH-LBPRGKRZSA-N 1 0 245.322 3.182 10 0 BGAERO COc1ccc([C@H](C)C[NH2+]Cc2ccoc2)cc1 ZINC000180519543 385527596 /nfs/dbraw/zinc/52/75/96/385527596.db2.gz PLYBHPZPZQWGPH-GFCCVEGCSA-N 1 0 245.322 3.182 10 0 BGAERO CCC[C@@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000180614912 535326216 /nfs/dbraw/zinc/32/62/16/535326216.db2.gz PVVIEVXJPPVIIV-UKRRQHHQSA-N 1 0 249.402 3.092 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000180614930 535610462 /nfs/dbraw/zinc/61/04/62/535610462.db2.gz PVVIEVXJPPVIIV-DZGCQCFKSA-N 1 0 249.402 3.092 10 0 BGAERO CC[C@@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000181120484 256608045 /nfs/dbraw/zinc/60/80/45/256608045.db2.gz NYZZNQBJSUPLJS-NEPJUHHUSA-N 1 0 238.400 3.429 10 0 BGAERO CC[C@H](C)[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000181120500 384450141 /nfs/dbraw/zinc/45/01/41/384450141.db2.gz NYZZNQBJSUPLJS-RYUDHWBXSA-N 1 0 238.400 3.429 10 0 BGAERO CC[C@H](C)[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccccc1 ZINC000181137665 171317565 /nfs/dbraw/zinc/31/75/65/171317565.db2.gz AUHJGBZCQWPSEF-IMJJTQAJSA-N 1 0 247.382 3.373 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]c1)[C@H](C)C2 ZINC000181147630 385565532 /nfs/dbraw/zinc/56/55/32/385565532.db2.gz AWLQWDMTELPWLI-MLGOLLRUSA-N 1 0 240.350 3.346 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+]Cc1cc[nH]c1)[C@@H](C)C2 ZINC000181147668 385565307 /nfs/dbraw/zinc/56/53/07/385565307.db2.gz AWLQWDMTELPWLI-BLLLJJGKSA-N 1 0 240.350 3.346 10 0 BGAERO Cc1ccc2c(c1)[C@@H]([NH2+]Cc1cc[nH]c1)[C@@H](C)C2 ZINC000181147684 385565345 /nfs/dbraw/zinc/56/53/45/385565345.db2.gz AWLQWDMTELPWLI-LRDDRELGSA-N 1 0 240.350 3.346 10 0 BGAERO COc1ccc([C@@H](C)C[NH2+]Cc2ccco2)cc1 ZINC000181510159 188344716 /nfs/dbraw/zinc/34/47/16/188344716.db2.gz AIOIGCWRINHNIG-LBPRGKRZSA-N 1 0 245.322 3.182 10 0 BGAERO COc1ccc([C@H](C)C[NH2+]Cc2ccco2)cc1 ZINC000181510177 188168485 /nfs/dbraw/zinc/16/84/85/188168485.db2.gz AIOIGCWRINHNIG-GFCCVEGCSA-N 1 0 245.322 3.182 10 0 BGAERO CCSCC[NH2+][C@@H](C)c1ccc(F)c(F)c1 ZINC000181639873 170637809 /nfs/dbraw/zinc/63/78/09/170637809.db2.gz KSVMLHGIUCPRNL-VIFPVBQESA-N 1 0 245.338 3.369 10 0 BGAERO CCSCC[NH2+][C@H](C)c1ccc(F)c(F)c1 ZINC000181639893 385412108 /nfs/dbraw/zinc/41/21/08/385412108.db2.gz KSVMLHGIUCPRNL-SECBINFHSA-N 1 0 245.338 3.369 10 0 BGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000181919990 188168410 /nfs/dbraw/zinc/16/84/10/188168410.db2.gz AAWNMXXVXDVSFJ-NEPJUHHUSA-N 1 0 248.370 3.340 10 0 BGAERO CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000181920016 188168086 /nfs/dbraw/zinc/16/80/86/188168086.db2.gz AAWNMXXVXDVSFJ-RYUDHWBXSA-N 1 0 248.370 3.340 10 0 BGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)cc1 ZINC000181920035 187821476 /nfs/dbraw/zinc/82/14/76/187821476.db2.gz AAWNMXXVXDVSFJ-VXGBXAGGSA-N 1 0 248.370 3.340 10 0 BGAERO CC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)cc1 ZINC000181920058 385619863 /nfs/dbraw/zinc/61/98/63/385619863.db2.gz AAWNMXXVXDVSFJ-NWDGAFQWSA-N 1 0 248.370 3.340 10 0 BGAERO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCCO1)Cc1ccccc1 ZINC000182053077 385633368 /nfs/dbraw/zinc/63/33/68/385633368.db2.gz GHAPFCMZPVOSRZ-DZKIICNBSA-N 1 0 247.382 3.022 10 0 BGAERO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)[C@@H]1CCCO1 ZINC000182053104 385633312 /nfs/dbraw/zinc/63/33/12/385633312.db2.gz GHAPFCMZPVOSRZ-LZWOXQAQSA-N 1 0 247.382 3.022 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182060017 385633451 /nfs/dbraw/zinc/63/34/51/385633451.db2.gz BKBYITYXDBKNPE-WQAKAFBOSA-N 1 0 235.302 3.037 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000182060056 385632747 /nfs/dbraw/zinc/63/27/47/385632747.db2.gz BKBYITYXDBKNPE-OASPWFOLSA-N 1 0 235.302 3.037 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1cocn1 ZINC000182076542 366864335 /nfs/dbraw/zinc/86/43/35/366864335.db2.gz HCOSZQNYNXEAMS-KWCYVHTRSA-N 1 0 236.359 3.225 10 0 BGAERO CO[C@H](C)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000182189120 385641503 /nfs/dbraw/zinc/64/15/03/385641503.db2.gz QRQADSHJRDRWMA-OLZOCXBDSA-N 1 0 237.343 3.150 10 0 BGAERO CO[C@H](C)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000182189140 385643284 /nfs/dbraw/zinc/64/32/84/385643284.db2.gz QRQADSHJRDRWMA-CHWSQXEVSA-N 1 0 237.343 3.150 10 0 BGAERO C[C@@H](CCn1cccn1)[NH2+][C@@H](C)c1cccs1 ZINC000182517499 385677519 /nfs/dbraw/zinc/67/75/19/385677519.db2.gz FSVBUPDOAXLICW-RYUDHWBXSA-N 1 0 249.383 3.074 10 0 BGAERO C[C@H](CCn1cccn1)[NH2+][C@@H](C)c1cccs1 ZINC000182517519 176910342 /nfs/dbraw/zinc/91/03/42/176910342.db2.gz FSVBUPDOAXLICW-NEPJUHHUSA-N 1 0 249.383 3.074 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)CCn1cccn1)c1cccs1 ZINC000182517538 385675432 /nfs/dbraw/zinc/67/54/32/385675432.db2.gz FSVBUPDOAXLICW-NWDGAFQWSA-N 1 0 249.383 3.074 10 0 BGAERO C[C@H](CCn1cccn1)[NH2+][C@H](C)c1cccs1 ZINC000182517553 176643022 /nfs/dbraw/zinc/64/30/22/176643022.db2.gz FSVBUPDOAXLICW-VXGBXAGGSA-N 1 0 249.383 3.074 10 0 BGAERO C[C@H]([NH2+]C[Si](C)(C)C)c1cccs1 ZINC000182557307 643030114 /nfs/dbraw/zinc/03/01/14/643030114.db2.gz HQWJVYPJYLUUOE-VIFPVBQESA-N 1 0 213.422 3.276 10 0 BGAERO C[C@@H]([NH2+]C[Si](C)(C)C)c1cccs1 ZINC000182557325 643029663 /nfs/dbraw/zinc/02/96/63/643029663.db2.gz HQWJVYPJYLUUOE-SECBINFHSA-N 1 0 213.422 3.276 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[Si](C)(C)C)o1 ZINC000182591252 643040652 /nfs/dbraw/zinc/04/06/52/643040652.db2.gz CERJXTRUNIZPQW-SNVBAGLBSA-N 1 0 211.381 3.116 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[Si](C)(C)C)o1 ZINC000182591268 643040560 /nfs/dbraw/zinc/04/05/60/643040560.db2.gz CERJXTRUNIZPQW-JTQLQIEISA-N 1 0 211.381 3.116 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]CCCCCCCO)o1 ZINC000182591592 643040640 /nfs/dbraw/zinc/04/06/40/643040640.db2.gz PQDFNAAVJIBTTI-CYBMUJFWSA-N 1 0 239.359 3.181 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]CCCCCCCO)o1 ZINC000182591613 643040587 /nfs/dbraw/zinc/04/05/87/643040587.db2.gz PQDFNAAVJIBTTI-ZDUSSCGKSA-N 1 0 239.359 3.181 10 0 BGAERO COCC[C@H](C)[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000182688931 134346651 /nfs/dbraw/zinc/34/66/51/134346651.db2.gz MTGRGSLTVZVBDI-DVOMOZLQSA-N 1 0 247.382 3.243 10 0 BGAERO COCC[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000182688945 134346695 /nfs/dbraw/zinc/34/66/95/134346695.db2.gz MTGRGSLTVZVBDI-WWGRRREGSA-N 1 0 247.382 3.243 10 0 BGAERO COCC[C@H](C)[NH2+][C@@H]1c2cc(C)ccc2C[C@@H]1C ZINC000182688979 134346641 /nfs/dbraw/zinc/34/66/41/134346641.db2.gz MTGRGSLTVZVBDI-XEZPLFJOSA-N 1 0 247.382 3.243 10 0 BGAERO Cc1ccc(CCC[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000183118104 538965645 /nfs/dbraw/zinc/96/56/45/538965645.db2.gz DMUMMLVBATYVTI-HOCLYGCPSA-N 1 0 247.382 3.085 10 0 BGAERO Cc1ccc(CCC[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000183118123 538965775 /nfs/dbraw/zinc/96/57/75/538965775.db2.gz DMUMMLVBATYVTI-ZBFHGGJFSA-N 1 0 247.382 3.085 10 0 BGAERO Cc1ccc(CCC[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000183118136 538966115 /nfs/dbraw/zinc/96/61/15/538966115.db2.gz DMUMMLVBATYVTI-GOEBONIOSA-N 1 0 247.382 3.085 10 0 BGAERO Cc1ccc(CCC[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000183118150 538965666 /nfs/dbraw/zinc/96/56/66/538965666.db2.gz DMUMMLVBATYVTI-GDBMZVCRSA-N 1 0 247.382 3.085 10 0 BGAERO Cc1cccc(CCC[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000183236167 179056294 /nfs/dbraw/zinc/05/62/94/179056294.db2.gz QASYIGVNXFZTSN-HOCLYGCPSA-N 1 0 247.382 3.085 10 0 BGAERO Cc1cccc(CCC[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000183236185 179056438 /nfs/dbraw/zinc/05/64/38/179056438.db2.gz QASYIGVNXFZTSN-ZBFHGGJFSA-N 1 0 247.382 3.085 10 0 BGAERO Cc1cccc(CCC[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000183236202 179056551 /nfs/dbraw/zinc/05/65/51/179056551.db2.gz QASYIGVNXFZTSN-GOEBONIOSA-N 1 0 247.382 3.085 10 0 BGAERO Cc1cccc(CCC[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000183236217 179055719 /nfs/dbraw/zinc/05/57/19/179055719.db2.gz QASYIGVNXFZTSN-GDBMZVCRSA-N 1 0 247.382 3.085 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCCCCO ZINC000183278003 205680503 /nfs/dbraw/zinc/68/05/03/205680503.db2.gz WNAAHUKWALTRTO-QLFBSQMISA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H]1C[NH+](CC(C)(C)c2ccccc2)C[C@H](C)O1 ZINC000183380180 538966384 /nfs/dbraw/zinc/96/63/84/538966384.db2.gz KNTKZQBOGIMNTR-KBPBESRZSA-N 1 0 247.382 3.073 10 0 BGAERO C[C@@H]1C[NH+](CC(C)(C)c2ccccc2)C[C@@H](C)O1 ZINC000183380202 538966504 /nfs/dbraw/zinc/96/65/04/538966504.db2.gz KNTKZQBOGIMNTR-ZIAGYGMSSA-N 1 0 247.382 3.073 10 0 BGAERO COc1ccc([C@H](C)C[N@H+](C)C(C)C)cc1 ZINC000183468881 385762592 /nfs/dbraw/zinc/76/25/92/385762592.db2.gz WTMYDSKDMQAKBE-GFCCVEGCSA-N 1 0 221.344 3.139 10 0 BGAERO COc1ccc([C@@H](C)C[N@H+](C)C(C)C)cc1 ZINC000183468902 175175909 /nfs/dbraw/zinc/17/59/09/175175909.db2.gz WTMYDSKDMQAKBE-LBPRGKRZSA-N 1 0 221.344 3.139 10 0 BGAERO CCCC[C@@H](CC)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000183617916 205681461 /nfs/dbraw/zinc/68/14/61/205681461.db2.gz XKTFDFLFXDAVTO-ZIAGYGMSSA-N 1 0 241.419 3.296 10 0 BGAERO CCCC[C@H](CC)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000183617931 384539195 /nfs/dbraw/zinc/53/91/95/384539195.db2.gz XKTFDFLFXDAVTO-KGLIPLIRSA-N 1 0 241.419 3.296 10 0 BGAERO Cc1cncc([C@@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000184259179 385669968 /nfs/dbraw/zinc/66/99/68/385669968.db2.gz YZBBAFKTOWDJNO-NWDGAFQWSA-N 1 0 206.333 3.085 10 0 BGAERO Cc1cncc([C@H](C)[NH2+][C@@H](C)C(C)C)c1 ZINC000184259195 384585876 /nfs/dbraw/zinc/58/58/76/384585876.db2.gz YZBBAFKTOWDJNO-RYUDHWBXSA-N 1 0 206.333 3.085 10 0 BGAERO Cc1cncc([C@@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000184259209 384586033 /nfs/dbraw/zinc/58/60/33/384586033.db2.gz YZBBAFKTOWDJNO-VXGBXAGGSA-N 1 0 206.333 3.085 10 0 BGAERO Cc1cncc([C@H](C)[NH2+][C@H](C)C(C)C)c1 ZINC000184259226 385670228 /nfs/dbraw/zinc/67/02/28/385670228.db2.gz YZBBAFKTOWDJNO-NEPJUHHUSA-N 1 0 206.333 3.085 10 0 BGAERO CC/C=C/CC[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000184530689 384615727 /nfs/dbraw/zinc/61/57/27/384615727.db2.gz OOERBFNOAJJOBJ-RGDDUWESSA-N 1 0 247.386 3.185 10 0 BGAERO CC/C=C/CC[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000184530707 384615012 /nfs/dbraw/zinc/61/50/12/384615012.db2.gz OOERBFNOAJJOBJ-MBVDDHJVSA-N 1 0 247.386 3.185 10 0 BGAERO CC/C=C/CC[N@@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000184601882 384627705 /nfs/dbraw/zinc/62/77/05/384627705.db2.gz POJCMMZLFVTUSU-MBVDDHJVSA-N 1 0 247.386 3.012 10 0 BGAERO CC/C=C/CC[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000184601900 384627533 /nfs/dbraw/zinc/62/75/33/384627533.db2.gz POJCMMZLFVTUSU-RGDDUWESSA-N 1 0 247.386 3.012 10 0 BGAERO CCSc1cccc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000185516087 205713594 /nfs/dbraw/zinc/71/35/94/205713594.db2.gz UIZALBPFOTWIKT-GXFFZTMASA-N 1 0 221.369 3.297 10 0 BGAERO CCSc1cccc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000185516102 205710771 /nfs/dbraw/zinc/71/07/71/205710771.db2.gz UIZALBPFOTWIKT-GWCFXTLKSA-N 1 0 221.369 3.297 10 0 BGAERO CCSc1cccc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000185516120 385731753 /nfs/dbraw/zinc/73/17/53/385731753.db2.gz UIZALBPFOTWIKT-ZWNOBZJWSA-N 1 0 221.369 3.297 10 0 BGAERO CCSc1cccc(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000185516135 385731112 /nfs/dbraw/zinc/73/11/12/385731112.db2.gz UIZALBPFOTWIKT-MFKMUULPSA-N 1 0 221.369 3.297 10 0 BGAERO CC/C=C/CCSCc1nccn1CC ZINC000185567276 388588786 /nfs/dbraw/zinc/58/87/86/388588786.db2.gz VGUBBSGWLJOYNE-AATRIKPKSA-N 1 0 224.373 3.493 10 0 BGAERO COc1ccsc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000186084863 175380348 /nfs/dbraw/zinc/38/03/48/175380348.db2.gz WQZSEYZTKCCXOH-ZJUUUORDSA-N 1 0 227.373 3.452 10 0 BGAERO COc1ccsc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000186084882 175380153 /nfs/dbraw/zinc/38/01/53/175380153.db2.gz WQZSEYZTKCCXOH-UWVGGRQHSA-N 1 0 227.373 3.452 10 0 BGAERO COc1ccsc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000186084896 175379702 /nfs/dbraw/zinc/37/97/02/175379702.db2.gz WQZSEYZTKCCXOH-NXEZZACHSA-N 1 0 227.373 3.452 10 0 BGAERO COc1ccsc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000186084912 175379426 /nfs/dbraw/zinc/37/94/26/175379426.db2.gz WQZSEYZTKCCXOH-VHSXEESVSA-N 1 0 227.373 3.452 10 0 BGAERO CC(C)c1nc([C@H](C)[NH2+][C@H]2C[C@H]2C)cs1 ZINC000186318102 385755445 /nfs/dbraw/zinc/75/54/45/385755445.db2.gz KMKONYOFSVRRSG-UTLUCORTSA-N 1 0 224.373 3.326 10 0 BGAERO CC(C)c1nc([C@H](C)[NH2+][C@H]2C[C@@H]2C)cs1 ZINC000186318119 385755144 /nfs/dbraw/zinc/75/51/44/385755144.db2.gz KMKONYOFSVRRSG-GUBZILKMSA-N 1 0 224.373 3.326 10 0 BGAERO CC(C)c1nc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cs1 ZINC000186318133 385755985 /nfs/dbraw/zinc/75/59/85/385755985.db2.gz KMKONYOFSVRRSG-KXUCPTDWSA-N 1 0 224.373 3.326 10 0 BGAERO CC(C)c1nc([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cs1 ZINC000186318153 385754739 /nfs/dbraw/zinc/75/47/39/385754739.db2.gz KMKONYOFSVRRSG-LPEHRKFASA-N 1 0 224.373 3.326 10 0 BGAERO C[C@@H](CCC1CC1)[NH2+][C@@H]1COc2ccccc21 ZINC000186395976 388599855 /nfs/dbraw/zinc/59/98/55/388599855.db2.gz PMZBETFKECKFIV-SMDDNHRTSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@H](CCC1CC1)[NH2+][C@@H]1COc2ccccc21 ZINC000186395991 388599625 /nfs/dbraw/zinc/59/96/25/388599625.db2.gz PMZBETFKECKFIV-BXUZGUMPSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H](CCC1CC1)[NH2+][C@H]1COc2ccccc21 ZINC000186396011 388599830 /nfs/dbraw/zinc/59/98/30/388599830.db2.gz PMZBETFKECKFIV-FZMZJTMJSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@H](CCC1CC1)[NH2+][C@H]1COc2ccccc21 ZINC000186396030 388600265 /nfs/dbraw/zinc/60/02/65/388600265.db2.gz PMZBETFKECKFIV-RISCZKNCSA-N 1 0 231.339 3.288 10 0 BGAERO CC(C)OC1CC([NH2+][C@@H](C)c2cccs2)C1 ZINC000186552041 167177063 /nfs/dbraw/zinc/17/70/63/167177063.db2.gz VQGQPXJLXLTBPE-UNXYVOJBSA-N 1 0 239.384 3.355 10 0 BGAERO CC(C)OC1CC([NH2+][C@H](C)c2cccs2)C1 ZINC000186552059 167177342 /nfs/dbraw/zinc/17/73/42/167177342.db2.gz VQGQPXJLXLTBPE-VOMCLLRMSA-N 1 0 239.384 3.355 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C2CC(OC(C)C)C2)o1 ZINC000186558482 384853534 /nfs/dbraw/zinc/85/35/34/384853534.db2.gz ABSVWYWOZULKOP-PNESKVBLSA-N 1 0 237.343 3.195 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C2CC(OC(C)C)C2)o1 ZINC000186558501 384853763 /nfs/dbraw/zinc/85/37/63/384853763.db2.gz ABSVWYWOZULKOP-HIFPTAJRSA-N 1 0 237.343 3.195 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186620888 349487246 /nfs/dbraw/zinc/48/72/46/349487246.db2.gz VTMBWEDCBLXZFT-SFXRXQKFSA-N 1 0 235.293 3.353 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186620906 349487524 /nfs/dbraw/zinc/48/75/24/349487524.db2.gz VTMBWEDCBLXZFT-PMUOWJKOSA-N 1 0 235.293 3.353 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186620920 349487506 /nfs/dbraw/zinc/48/75/06/349487506.db2.gz VTMBWEDCBLXZFT-AGVGLQIMSA-N 1 0 235.293 3.353 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186620938 349487412 /nfs/dbraw/zinc/48/74/12/349487412.db2.gz VTMBWEDCBLXZFT-IDWGSYCQSA-N 1 0 235.293 3.353 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC(C)(C)C1 ZINC000186798250 384018854 /nfs/dbraw/zinc/01/88/54/384018854.db2.gz AHSOJAFFYIIPFB-XJFOESAGSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC(C)(C)C1 ZINC000186798270 387136883 /nfs/dbraw/zinc/13/68/83/387136883.db2.gz AHSOJAFFYIIPFB-IGQOVBAYSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC(C)(C)C1 ZINC000186798285 134436450 /nfs/dbraw/zinc/43/64/50/134436450.db2.gz AHSOJAFFYIIPFB-AAVRWANBSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC(C)(C)C1 ZINC000186798302 134435942 /nfs/dbraw/zinc/43/59/42/134435942.db2.gz AHSOJAFFYIIPFB-REWJHTLYSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000186937527 385818302 /nfs/dbraw/zinc/81/83/02/385818302.db2.gz RWRHRRKFMVBWPN-MNOVXSKESA-N 1 0 215.406 3.152 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)C1CCSCC1 ZINC000186937542 385818987 /nfs/dbraw/zinc/81/89/87/385818987.db2.gz RWRHRRKFMVBWPN-QWRGUYRKSA-N 1 0 215.406 3.152 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000186937557 385818220 /nfs/dbraw/zinc/81/82/20/385818220.db2.gz RWRHRRKFMVBWPN-GHMZBOCLSA-N 1 0 215.406 3.152 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](C)C1CCSCC1 ZINC000186937571 385818396 /nfs/dbraw/zinc/81/83/96/385818396.db2.gz RWRHRRKFMVBWPN-WDEREUQCSA-N 1 0 215.406 3.152 10 0 BGAERO CCCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1 ZINC000187120207 387167901 /nfs/dbraw/zinc/16/79/01/387167901.db2.gz FTHWKJGYBXJNCG-BBRMVZONSA-N 1 0 247.382 3.296 10 0 BGAERO CCCc1cccc(C[NH2+][C@H](C)[C@@H]2CCCO2)c1 ZINC000187120227 387167495 /nfs/dbraw/zinc/16/74/95/387167495.db2.gz FTHWKJGYBXJNCG-CJNGLKHVSA-N 1 0 247.382 3.296 10 0 BGAERO CCCc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000187120245 134451840 /nfs/dbraw/zinc/45/18/40/134451840.db2.gz FTHWKJGYBXJNCG-XJKSGUPXSA-N 1 0 247.382 3.296 10 0 BGAERO CCCc1cccc(C[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000187120261 134451706 /nfs/dbraw/zinc/45/17/06/134451706.db2.gz FTHWKJGYBXJNCG-CZUORRHYSA-N 1 0 247.382 3.296 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(C)nc2C)o1 ZINC000187494138 387200288 /nfs/dbraw/zinc/20/02/88/387200288.db2.gz HSXOIPCOYABDQT-ZDUSSCGKSA-N 1 0 244.338 3.451 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C)nc2C)o1 ZINC000187494157 134467672 /nfs/dbraw/zinc/46/76/72/134467672.db2.gz HSXOIPCOYABDQT-CYBMUJFWSA-N 1 0 244.338 3.451 10 0 BGAERO CCC[C@@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000187670330 259518676 /nfs/dbraw/zinc/51/86/76/259518676.db2.gz SBZKZZUPLXGCNO-CYBMUJFWSA-N 1 0 249.402 3.271 10 0 BGAERO CCC[C@H](C)[NH+]1CCC(c2cnn(CC)c2)CC1 ZINC000187670350 388610308 /nfs/dbraw/zinc/61/03/08/388610308.db2.gz SBZKZZUPLXGCNO-ZDUSSCGKSA-N 1 0 249.402 3.271 10 0 BGAERO CCC[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000187686183 259300733 /nfs/dbraw/zinc/30/07/33/259300733.db2.gz JISCNPPANDNHIV-KGLIPLIRSA-N 1 0 235.375 3.017 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@H](n2cc(C)cn2)C1 ZINC000187686201 259300823 /nfs/dbraw/zinc/30/08/23/259300823.db2.gz JISCNPPANDNHIV-KBPBESRZSA-N 1 0 235.375 3.017 10 0 BGAERO CCC[C@@H](C)[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000187686606 259300710 /nfs/dbraw/zinc/30/07/10/259300710.db2.gz CTPREMUTUBNJBU-GFCCVEGCSA-N 1 0 249.402 3.090 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000187686626 259300767 /nfs/dbraw/zinc/30/07/67/259300767.db2.gz CTPREMUTUBNJBU-LBPRGKRZSA-N 1 0 249.402 3.090 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000187855601 386633042 /nfs/dbraw/zinc/63/30/42/386633042.db2.gz ZKVIDPLYZUPOSC-HIFRSBDPSA-N 1 0 233.355 3.234 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]CCCCCOc1ccccc1 ZINC000187855628 386632036 /nfs/dbraw/zinc/63/20/36/386632036.db2.gz ZKVIDPLYZUPOSC-ZFWWWQNUSA-N 1 0 233.355 3.234 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000187855656 352587417 /nfs/dbraw/zinc/58/74/17/352587417.db2.gz ZKVIDPLYZUPOSC-UKRRQHHQSA-N 1 0 233.355 3.234 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]CCCCCOc1ccccc1 ZINC000187855680 386643392 /nfs/dbraw/zinc/64/33/92/386643392.db2.gz ZKVIDPLYZUPOSC-DZGCQCFKSA-N 1 0 233.355 3.234 10 0 BGAERO C[C@H](C[NH2+][C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000187855972 205817542 /nfs/dbraw/zinc/81/75/42/205817542.db2.gz JGXIDDRBWQJNLN-BREBYQMCSA-N 1 0 223.747 3.442 10 0 BGAERO C[C@H](C[NH2+][C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000187855999 386640355 /nfs/dbraw/zinc/64/03/55/386640355.db2.gz JGXIDDRBWQJNLN-CWSCBRNRSA-N 1 0 223.747 3.442 10 0 BGAERO C[C@H](C[NH2+][C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000187856026 386640737 /nfs/dbraw/zinc/64/07/37/386640737.db2.gz JGXIDDRBWQJNLN-GIPNMCIBSA-N 1 0 223.747 3.442 10 0 BGAERO C[C@H](C[NH2+][C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000187856052 386640431 /nfs/dbraw/zinc/64/04/31/386640431.db2.gz JGXIDDRBWQJNLN-OPQQBVKSSA-N 1 0 223.747 3.442 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC(C)(C)C1 ZINC000187884492 384336328 /nfs/dbraw/zinc/33/63/28/384336328.db2.gz AHSOJAFFYIIPFB-RFGFWPKPSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC(C)(C)C1 ZINC000187884552 386673757 /nfs/dbraw/zinc/67/37/57/386673757.db2.gz AHSOJAFFYIIPFB-MQYQWHSLSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CCCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000187910574 641734420 /nfs/dbraw/zinc/73/44/20/641734420.db2.gz DBXRQQYFRLWZHI-ZBFHGGJFSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@H]1CCCC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000187910600 641734351 /nfs/dbraw/zinc/73/43/51/641734351.db2.gz DBXRQQYFRLWZHI-HOCLYGCPSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000187954266 323169438 /nfs/dbraw/zinc/16/94/38/323169438.db2.gz LMJHPZLBQFGCCQ-DMRZNYOFSA-N 1 0 229.367 3.495 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccc(F)nc1 ZINC000188962922 634158672 /nfs/dbraw/zinc/15/86/72/634158672.db2.gz BXCGDECJTTUYBU-LBPRGKRZSA-N 1 0 244.313 3.380 10 0 BGAERO CCC1CCC([NH2+]Cc2ccc(F)nc2)CC1 ZINC000188996340 641781433 /nfs/dbraw/zinc/78/14/33/641781433.db2.gz DTRVHQKXQFBYDN-UHFFFAOYSA-N 1 0 236.334 3.279 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189143817 385940204 /nfs/dbraw/zinc/94/02/04/385940204.db2.gz JZLMHKZWYBWJHA-MIGQKNRLSA-N 1 0 229.367 3.396 10 0 BGAERO Cc1cncc(C[N@@H+]2CCC[C@@H]2c2ccco2)c1 ZINC000189892054 357668766 /nfs/dbraw/zinc/66/87/66/357668766.db2.gz WAZGJINNEBRHHU-CQSZACIVSA-N 1 0 242.322 3.320 10 0 BGAERO Cc1cncc(C[N@@H+]2CCC[C@H]2c2ccco2)c1 ZINC000189892076 357668696 /nfs/dbraw/zinc/66/86/96/357668696.db2.gz WAZGJINNEBRHHU-AWEZNQCLSA-N 1 0 242.322 3.320 10 0 BGAERO CCC(=O)CC[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000190248694 168202713 /nfs/dbraw/zinc/20/27/13/168202713.db2.gz XHEKBHBPPGKXJK-CQSZACIVSA-N 1 0 249.354 3.484 10 0 BGAERO CCC(=O)CC[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000190248718 168202372 /nfs/dbraw/zinc/20/23/72/168202372.db2.gz XHEKBHBPPGKXJK-AWEZNQCLSA-N 1 0 249.354 3.484 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000190694862 167384062 /nfs/dbraw/zinc/38/40/62/167384062.db2.gz YSMDHJQDRQIPLI-CYBMUJFWSA-N 1 0 243.354 3.006 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1nccn1-c1ccccc1 ZINC000190694880 188172642 /nfs/dbraw/zinc/17/26/42/188172642.db2.gz YSMDHJQDRQIPLI-ZDUSSCGKSA-N 1 0 243.354 3.006 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190694899 167381643 /nfs/dbraw/zinc/38/16/43/167381643.db2.gz FQZXTUVARGWAPL-CYBMUJFWSA-N 1 0 249.402 3.060 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190694919 385258525 /nfs/dbraw/zinc/25/85/25/385258525.db2.gz FQZXTUVARGWAPL-ZDUSSCGKSA-N 1 0 249.402 3.060 10 0 BGAERO CC(C)CC[NH2+][C@@H](C)COCc1ccccc1 ZINC000190774509 259567363 /nfs/dbraw/zinc/56/73/63/259567363.db2.gz WJCNOWODNZARBV-AWEZNQCLSA-N 1 0 235.371 3.227 10 0 BGAERO CC(C)CC[NH2+][C@H](C)COCc1ccccc1 ZINC000190774528 259567885 /nfs/dbraw/zinc/56/78/85/259567885.db2.gz WJCNOWODNZARBV-CQSZACIVSA-N 1 0 235.371 3.227 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCOCC(F)F)CC(C)(C)C1 ZINC000190890114 386747865 /nfs/dbraw/zinc/74/78/65/386747865.db2.gz DUTGCKCDHMFNRZ-MNOVXSKESA-N 1 0 249.345 3.073 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCOCC(F)F)CC(C)(C)C1 ZINC000190890133 386747303 /nfs/dbraw/zinc/74/73/03/386747303.db2.gz DUTGCKCDHMFNRZ-QWRGUYRKSA-N 1 0 249.345 3.073 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCOCC(F)F)CC(C)(C)C1 ZINC000190890147 386748057 /nfs/dbraw/zinc/74/80/57/386748057.db2.gz DUTGCKCDHMFNRZ-GHMZBOCLSA-N 1 0 249.345 3.073 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCOCC(F)F)CC(C)(C)C1 ZINC000190890163 386747120 /nfs/dbraw/zinc/74/71/20/386747120.db2.gz DUTGCKCDHMFNRZ-WDEREUQCSA-N 1 0 249.345 3.073 10 0 BGAERO c1coc([C@@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)c1 ZINC000191076923 357746980 /nfs/dbraw/zinc/74/69/80/357746980.db2.gz NJXHOTJOPHXMPX-STQMWFEESA-N 1 0 233.311 3.109 10 0 BGAERO c1coc([C@H]2CCC[N@H+]2C[C@@H]2CCC=CO2)c1 ZINC000191076939 357746922 /nfs/dbraw/zinc/74/69/22/357746922.db2.gz NJXHOTJOPHXMPX-QWHCGFSZSA-N 1 0 233.311 3.109 10 0 BGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000191091210 386475162 /nfs/dbraw/zinc/47/51/62/386475162.db2.gz UKUFRCMTZSDXGD-XQLPTFJDSA-N 1 0 237.387 3.136 10 0 BGAERO Cc1c([C@@H](C)[NH2+][C@@H](C)C(C)C)cnn1C(C)C ZINC000191127130 388660522 /nfs/dbraw/zinc/66/05/22/388660522.db2.gz WHSXLOCWSXQOLV-NWDGAFQWSA-N 1 0 237.391 3.468 10 0 BGAERO Cc1c([C@H](C)[NH2+][C@@H](C)C(C)C)cnn1C(C)C ZINC000191127146 388660116 /nfs/dbraw/zinc/66/01/16/388660116.db2.gz WHSXLOCWSXQOLV-RYUDHWBXSA-N 1 0 237.391 3.468 10 0 BGAERO Cc1c([C@@H](C)[NH2+][C@H](C)C(C)C)cnn1C(C)C ZINC000191127163 388660373 /nfs/dbraw/zinc/66/03/73/388660373.db2.gz WHSXLOCWSXQOLV-VXGBXAGGSA-N 1 0 237.391 3.468 10 0 BGAERO Cc1c([C@H](C)[NH2+][C@H](C)C(C)C)cnn1C(C)C ZINC000191127177 388660246 /nfs/dbraw/zinc/66/02/46/388660246.db2.gz WHSXLOCWSXQOLV-NEPJUHHUSA-N 1 0 237.391 3.468 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)c1csc(Cl)c1 ZINC000191264398 353451616 /nfs/dbraw/zinc/45/16/16/353451616.db2.gz VHPMZBAEWJSFNI-FJXKBIBVSA-N 1 0 215.749 3.461 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1C)c1csc(Cl)c1 ZINC000191264415 385295537 /nfs/dbraw/zinc/29/55/37/385295537.db2.gz VHPMZBAEWJSFNI-ZKWXMUAHSA-N 1 0 215.749 3.461 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)c1csc(Cl)c1 ZINC000191264432 353451771 /nfs/dbraw/zinc/45/17/71/353451771.db2.gz VHPMZBAEWJSFNI-BKPPORCPSA-N 1 0 215.749 3.461 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H]1C)c1csc(Cl)c1 ZINC000191264444 353451535 /nfs/dbraw/zinc/45/15/35/353451535.db2.gz VHPMZBAEWJSFNI-ACLDMZEESA-N 1 0 215.749 3.461 10 0 BGAERO Cc1c([C@H](C)[NH2+][C@@H]2C[C@@H]2C)cnn1C(C)(C)C ZINC000191264547 388661812 /nfs/dbraw/zinc/66/18/12/388661812.db2.gz XNJXJFQHAVCWTP-OUJBWJOFSA-N 1 0 235.375 3.006 10 0 BGAERO Cc1c([C@H](C)[NH2+][C@H]2C[C@@H]2C)cnn1C(C)(C)C ZINC000191264579 388661808 /nfs/dbraw/zinc/66/18/08/388661808.db2.gz XNJXJFQHAVCWTP-KWBADKCTSA-N 1 0 235.375 3.006 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]1C)CCS2 ZINC000191509955 175217125 /nfs/dbraw/zinc/21/71/25/175217125.db2.gz IDDVGGBWSXRKHF-WQAKAFBOSA-N 1 0 249.379 3.230 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]1C)CCS2 ZINC000191509966 175217157 /nfs/dbraw/zinc/21/71/57/175217157.db2.gz IDDVGGBWSXRKHF-BIMULSAOSA-N 1 0 249.379 3.230 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C)CCS2 ZINC000191509981 175217160 /nfs/dbraw/zinc/21/71/60/175217160.db2.gz IDDVGGBWSXRKHF-OASPWFOLSA-N 1 0 249.379 3.230 10 0 BGAERO COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]1C)CCS2 ZINC000191509993 175217502 /nfs/dbraw/zinc/21/75/02/175217502.db2.gz IDDVGGBWSXRKHF-ZWKOPEQDSA-N 1 0 249.379 3.230 10 0 BGAERO COc1ccc([C@@H](C)C[NH2+]CC=C(C)C)cc1 ZINC000191632059 388665917 /nfs/dbraw/zinc/66/59/17/388665917.db2.gz XZBHFVGJKDNRFQ-ZDUSSCGKSA-N 1 0 233.355 3.355 10 0 BGAERO COc1ccc([C@H](C)C[NH2+]CC=C(C)C)cc1 ZINC000191632072 388666500 /nfs/dbraw/zinc/66/65/00/388666500.db2.gz XZBHFVGJKDNRFQ-CYBMUJFWSA-N 1 0 233.355 3.355 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191636312 538992829 /nfs/dbraw/zinc/99/28/29/538992829.db2.gz NFWWXMZDACCNID-BXUZGUMPSA-N 1 0 233.355 3.404 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000191636329 538992809 /nfs/dbraw/zinc/99/28/09/538992809.db2.gz NFWWXMZDACCNID-SMDDNHRTSA-N 1 0 233.355 3.404 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191636345 538992775 /nfs/dbraw/zinc/99/27/75/538992775.db2.gz NFWWXMZDACCNID-RISCZKNCSA-N 1 0 233.355 3.404 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000191636361 538993117 /nfs/dbraw/zinc/99/31/17/538993117.db2.gz NFWWXMZDACCNID-FZMZJTMJSA-N 1 0 233.355 3.404 10 0 BGAERO CO[C@H](C)[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000191650627 387039390 /nfs/dbraw/zinc/03/93/90/387039390.db2.gz WCFBUKQHRLFQJM-XQHKEYJVSA-N 1 0 227.392 3.214 10 0 BGAERO CO[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000191650657 134574104 /nfs/dbraw/zinc/57/41/04/134574104.db2.gz WCFBUKQHRLFQJM-YVECIDJPSA-N 1 0 227.392 3.214 10 0 BGAERO Cc1c[nH+]ccc1N[C@H](C)c1cccc(O)c1 ZINC000191980209 355944317 /nfs/dbraw/zinc/94/43/17/355944317.db2.gz LFYARMHDWBTWRV-LLVKDONJSA-N 1 0 228.295 3.269 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]Cc1ncccn1 ZINC000192164113 357825402 /nfs/dbraw/zinc/82/54/02/357825402.db2.gz ZWXQLIYJXFNJNR-HZSPNIEDSA-N 1 0 247.386 3.027 10 0 BGAERO CCOCc1ccccc1C[NH2+]CC=C(C)C ZINC000192282905 170459365 /nfs/dbraw/zinc/45/93/65/170459365.db2.gz GNPIVEHLENWWRS-UHFFFAOYSA-N 1 0 233.355 3.279 10 0 BGAERO COc1cccc2c1CC[C@@H]([NH2+][C@H](C)C(C)C)C2 ZINC000192438030 219941416 /nfs/dbraw/zinc/94/14/16/219941416.db2.gz FGWUSQYBLAXGPD-TZMCWYRMSA-N 1 0 247.382 3.187 10 0 BGAERO COc1cccc2c1CC[C@@H]([NH2+][C@@H](C)C(C)C)C2 ZINC000192438032 386767147 /nfs/dbraw/zinc/76/71/47/386767147.db2.gz FGWUSQYBLAXGPD-GXTWGEPZSA-N 1 0 247.382 3.187 10 0 BGAERO COc1cccc2c1CC[C@H]([NH2+][C@H](C)C(C)C)C2 ZINC000192438033 219941618 /nfs/dbraw/zinc/94/16/18/219941618.db2.gz FGWUSQYBLAXGPD-OCCSQVGLSA-N 1 0 247.382 3.187 10 0 BGAERO COc1cccc2c1CC[C@H]([NH2+][C@@H](C)C(C)C)C2 ZINC000192438035 386766853 /nfs/dbraw/zinc/76/68/53/386766853.db2.gz FGWUSQYBLAXGPD-JSGCOSHPSA-N 1 0 247.382 3.187 10 0 BGAERO Cc1c[nH+]ccc1N1CCC[C@@H]1c1ccco1 ZINC000192600539 357845225 /nfs/dbraw/zinc/84/52/25/357845225.db2.gz QBFMGZKDRDIVBH-CYBMUJFWSA-N 1 0 228.295 3.325 10 0 BGAERO Cc1c[nH+]ccc1N1CCC[C@H]1c1ccco1 ZINC000192600554 134587332 /nfs/dbraw/zinc/58/73/32/134587332.db2.gz QBFMGZKDRDIVBH-ZDUSSCGKSA-N 1 0 228.295 3.325 10 0 BGAERO C/C(=C\c1ccccc1)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000192666067 188004232 /nfs/dbraw/zinc/00/42/32/188004232.db2.gz VTZMELXIODTNBG-IWNKFFNMSA-N 1 0 245.366 3.247 10 0 BGAERO C/C(=C\c1ccccc1)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000192666096 187315847 /nfs/dbraw/zinc/31/58/47/187315847.db2.gz VTZMELXIODTNBG-VDAYMNBPSA-N 1 0 245.366 3.247 10 0 BGAERO CCC[C@@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000192735713 388683744 /nfs/dbraw/zinc/68/37/44/388683744.db2.gz RSQBFOXSUPKLRP-BXUZGUMPSA-N 1 0 249.402 3.362 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H]1c1c(C)nn(C)c1C ZINC000192735732 388684252 /nfs/dbraw/zinc/68/42/52/388684252.db2.gz RSQBFOXSUPKLRP-SMDDNHRTSA-N 1 0 249.402 3.362 10 0 BGAERO CCC[C@@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000192744121 169367492 /nfs/dbraw/zinc/36/74/92/169367492.db2.gz OCXHAOFUDSKXDB-ZIAGYGMSSA-N 1 0 247.386 3.004 10 0 BGAERO CCC[C@H](C)[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000192744135 385370987 /nfs/dbraw/zinc/37/09/87/385370987.db2.gz OCXHAOFUDSKXDB-UONOGXRCSA-N 1 0 247.386 3.004 10 0 BGAERO CCCc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1 ZINC000192947400 388246547 /nfs/dbraw/zinc/24/65/47/388246547.db2.gz ZATWPTZSKXMDCP-BBRMVZONSA-N 1 0 247.382 3.296 10 0 BGAERO CCCc1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1 ZINC000192947416 388246483 /nfs/dbraw/zinc/24/64/83/388246483.db2.gz ZATWPTZSKXMDCP-CJNGLKHVSA-N 1 0 247.382 3.296 10 0 BGAERO CCCc1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000192947426 388246505 /nfs/dbraw/zinc/24/65/05/388246505.db2.gz ZATWPTZSKXMDCP-XJKSGUPXSA-N 1 0 247.382 3.296 10 0 BGAERO CCCc1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000192947447 388246361 /nfs/dbraw/zinc/24/63/61/388246361.db2.gz ZATWPTZSKXMDCP-CZUORRHYSA-N 1 0 247.382 3.296 10 0 BGAERO C[C@H]([NH2+]Cc1sccc1Cl)[C@@H]1CCCO1 ZINC000193002067 386809646 /nfs/dbraw/zinc/80/96/46/386809646.db2.gz UCYJBJBNLDRAOQ-WPRPVWTQSA-N 1 0 245.775 3.059 10 0 BGAERO C[C@@H]([NH2+]Cc1sccc1Cl)[C@@H]1CCCO1 ZINC000193002079 386808953 /nfs/dbraw/zinc/80/89/53/386808953.db2.gz UCYJBJBNLDRAOQ-SCZZXKLOSA-N 1 0 245.775 3.059 10 0 BGAERO C[C@H]([NH2+]Cc1sccc1Cl)[C@H]1CCCO1 ZINC000193002090 386809633 /nfs/dbraw/zinc/80/96/33/386809633.db2.gz UCYJBJBNLDRAOQ-WCBMZHEXSA-N 1 0 245.775 3.059 10 0 BGAERO C[C@@H]([NH2+]Cc1sccc1Cl)[C@H]1CCCO1 ZINC000193002099 386809130 /nfs/dbraw/zinc/80/91/30/386809130.db2.gz UCYJBJBNLDRAOQ-PSASIEDQSA-N 1 0 245.775 3.059 10 0 BGAERO CC(C)[C@@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193265193 388698204 /nfs/dbraw/zinc/69/82/04/388698204.db2.gz GQGKFZVUPGVNEM-CYBMUJFWSA-N 1 0 247.382 3.188 10 0 BGAERO CC(C)[C@H](C)[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193265207 388698607 /nfs/dbraw/zinc/69/86/07/388698607.db2.gz GQGKFZVUPGVNEM-ZDUSSCGKSA-N 1 0 247.382 3.188 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCCOC(F)F)CC(C)(C)C1 ZINC000193660654 259608014 /nfs/dbraw/zinc/60/80/14/259608014.db2.gz QQZWYLWLSPZERY-MNOVXSKESA-N 1 0 249.345 3.420 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCCOC(F)F)CC(C)(C)C1 ZINC000193660669 388712902 /nfs/dbraw/zinc/71/29/02/388712902.db2.gz QQZWYLWLSPZERY-QWRGUYRKSA-N 1 0 249.345 3.420 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCCOC(F)F)CC(C)(C)C1 ZINC000193660679 323366075 /nfs/dbraw/zinc/36/60/75/323366075.db2.gz QQZWYLWLSPZERY-GHMZBOCLSA-N 1 0 249.345 3.420 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCCOC(F)F)CC(C)(C)C1 ZINC000193660694 388712758 /nfs/dbraw/zinc/71/27/58/388712758.db2.gz QQZWYLWLSPZERY-WDEREUQCSA-N 1 0 249.345 3.420 10 0 BGAERO Cc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1Cl ZINC000193735477 387803218 /nfs/dbraw/zinc/80/32/18/387803218.db2.gz DFNUSDNMQODVMR-JOYOIKCWSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1Cl ZINC000193735493 387802330 /nfs/dbraw/zinc/80/23/30/387802330.db2.gz DFNUSDNMQODVMR-CABZTGNLSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1Cl ZINC000193735512 387801251 /nfs/dbraw/zinc/80/12/51/387801251.db2.gz DFNUSDNMQODVMR-BXKDBHETSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1Cl ZINC000193735524 387802081 /nfs/dbraw/zinc/80/20/81/387802081.db2.gz DFNUSDNMQODVMR-SKDRFNHKSA-N 1 0 209.720 3.146 10 0 BGAERO COC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000194024205 387813614 /nfs/dbraw/zinc/81/36/14/387813614.db2.gz NFXQRRYFXJWFEY-ICCXJUOJSA-N 1 0 239.746 3.026 10 0 BGAERO COC[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000194024216 387813768 /nfs/dbraw/zinc/81/37/68/387813768.db2.gz NFXQRRYFXJWFEY-XDTLVQLUSA-N 1 0 239.746 3.026 10 0 BGAERO COC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(Cl)cc1 ZINC000194024228 387814314 /nfs/dbraw/zinc/81/43/14/387814314.db2.gz NFXQRRYFXJWFEY-WQAKAFBOSA-N 1 0 239.746 3.026 10 0 BGAERO COC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccc(Cl)cc1 ZINC000194024242 387813509 /nfs/dbraw/zinc/81/35/09/387813509.db2.gz NFXQRRYFXJWFEY-BIMULSAOSA-N 1 0 239.746 3.026 10 0 BGAERO C=Cn1cc(C[NH2+][C@@H](C)c2ccccc2C)cn1 ZINC000194343179 188175296 /nfs/dbraw/zinc/17/52/96/188175296.db2.gz KFECZRKHXVVBNE-ZDUSSCGKSA-N 1 0 241.338 3.143 10 0 BGAERO C[C@H]1CN(Cc2sccc2Cl)CCS1 ZINC000194378234 388730533 /nfs/dbraw/zinc/73/05/33/388730533.db2.gz RLLVGPFMSMCMHC-QMMMGPOBSA-N 1 0 247.816 3.339 10 0 BGAERO C[C@@H]1CN(Cc2cc(Cl)cs2)CCS1 ZINC000194378255 388730669 /nfs/dbraw/zinc/73/06/69/388730669.db2.gz NUMMCAWPOLWADR-MRVPVSSYSA-N 1 0 247.816 3.339 10 0 BGAERO C[C@H]1CN(Cc2cc(Cl)cs2)CCS1 ZINC000194378266 388730644 /nfs/dbraw/zinc/73/06/44/388730644.db2.gz NUMMCAWPOLWADR-QMMMGPOBSA-N 1 0 247.816 3.339 10 0 BGAERO C[C@H]1COC[C@H](C)N1Cc1sccc1Cl ZINC000194410185 177300550 /nfs/dbraw/zinc/30/05/50/177300550.db2.gz WAUBEDLDTQGOOZ-IUCAKERBSA-N 1 0 245.775 3.011 10 0 BGAERO CCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195323466 387919752 /nfs/dbraw/zinc/91/97/52/387919752.db2.gz KAWPYZRQQSXGRR-NSHDSACASA-N 1 0 224.373 3.041 10 0 BGAERO CCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195323476 387918026 /nfs/dbraw/zinc/91/80/26/387918026.db2.gz KAWPYZRQQSXGRR-LLVKDONJSA-N 1 0 224.373 3.041 10 0 BGAERO Cc1csc([C@@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000195323531 387917847 /nfs/dbraw/zinc/91/78/47/387917847.db2.gz DULHWJBBRDEFHZ-GFCCVEGCSA-N 1 0 238.400 3.287 10 0 BGAERO Cc1csc([C@H]2CCC[N@@H+](CC(C)C)C2)n1 ZINC000195323540 387919417 /nfs/dbraw/zinc/91/94/17/387919417.db2.gz DULHWJBBRDEFHZ-LBPRGKRZSA-N 1 0 238.400 3.287 10 0 BGAERO CCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195360823 387912045 /nfs/dbraw/zinc/91/20/45/387912045.db2.gz DNJWWPNNKUYEQD-SNVBAGLBSA-N 1 0 210.346 3.080 10 0 BGAERO CCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195360829 387911610 /nfs/dbraw/zinc/91/16/10/387911610.db2.gz DNJWWPNNKUYEQD-JTQLQIEISA-N 1 0 210.346 3.080 10 0 BGAERO CC(C)C[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195360850 387909853 /nfs/dbraw/zinc/90/98/53/387909853.db2.gz UYGMJQYVPSBBAP-LLVKDONJSA-N 1 0 224.373 3.326 10 0 BGAERO CC(C)C[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195360860 387911892 /nfs/dbraw/zinc/91/18/92/387911892.db2.gz UYGMJQYVPSBBAP-NSHDSACASA-N 1 0 224.373 3.326 10 0 BGAERO CCC[N@@H+]1CCC[C@H](c2nc(CC)cs2)C1 ZINC000195377385 387914363 /nfs/dbraw/zinc/91/43/63/387914363.db2.gz ANVHFOARIXDBLR-NSHDSACASA-N 1 0 238.400 3.295 10 0 BGAERO CCC[N@@H+]1CCC[C@@H](c2nc(CC)cs2)C1 ZINC000195377391 387913789 /nfs/dbraw/zinc/91/37/89/387913789.db2.gz ANVHFOARIXDBLR-LLVKDONJSA-N 1 0 238.400 3.295 10 0 BGAERO CCCC[N@@H+]1CCCC[C@@H]1c1nccs1 ZINC000195439676 387916026 /nfs/dbraw/zinc/91/60/26/387916026.db2.gz XTRFSBVYRVUZKU-LLVKDONJSA-N 1 0 224.373 3.470 10 0 BGAERO CCCC[N@@H+]1CCCC[C@H]1c1nccs1 ZINC000195439684 134840858 /nfs/dbraw/zinc/84/08/58/134840858.db2.gz XTRFSBVYRVUZKU-NSHDSACASA-N 1 0 224.373 3.470 10 0 BGAERO CCCC[N@@H+]1CCC[C@H](c2nc(C)cs2)C1 ZINC000195440942 387916857 /nfs/dbraw/zinc/91/68/57/387916857.db2.gz WQZWBTOMVKEYET-LBPRGKRZSA-N 1 0 238.400 3.431 10 0 BGAERO CCCC[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000195440948 387916605 /nfs/dbraw/zinc/91/66/05/387916605.db2.gz WQZWBTOMVKEYET-GFCCVEGCSA-N 1 0 238.400 3.431 10 0 BGAERO CCn1cc(C2CC[NH+](CC=C(C)C)CC2)cn1 ZINC000195499683 172157759 /nfs/dbraw/zinc/15/77/59/172157759.db2.gz SHMZAXFJCYWVNP-UHFFFAOYSA-N 1 0 247.386 3.049 10 0 BGAERO CCn1cc(C2CC[NH+](CCC(C)C)CC2)cn1 ZINC000195501480 387915721 /nfs/dbraw/zinc/91/57/21/387915721.db2.gz COBXIFZNYKMYBC-UHFFFAOYSA-N 1 0 249.402 3.129 10 0 BGAERO c1cc(C2CC[NH+](CC3CCCCC3)CC2)n[nH]1 ZINC000195505778 387919563 /nfs/dbraw/zinc/91/95/63/387919563.db2.gz DBSKUVBCWHCWBI-UHFFFAOYSA-N 1 0 247.386 3.169 10 0 BGAERO C[Si](C)(C)N1C=C[NH+]([Si](C)(C)C)C=C1 ZINC000195755867 487795561 /nfs/dbraw/zinc/79/55/61/487795561.db2.gz WGBPOPJACTZYSA-UHFFFAOYSA-N 1 0 226.472 3.216 10 0 BGAERO C[C@H](c1ccccc1)[N@@H+]1[C@@H]2CC[C@H]1[C@@H](O)CCC2 ZINC000195990476 347760755 /nfs/dbraw/zinc/76/07/55/347760755.db2.gz LLXOVIPWOAQABO-OEAJRASXSA-N 1 0 245.366 3.125 10 0 BGAERO c1ccc(CCN2C[C@@H]2c2ccccc2)cc1 ZINC000196336096 347868595 /nfs/dbraw/zinc/86/85/95/347868595.db2.gz ZTSNYHQXLQARLW-TZHYSIJRSA-N 1 0 223.319 3.286 10 0 BGAERO c1ccc(CCN2C[C@H]2c2ccccc2)cc1 ZINC000196336110 347868740 /nfs/dbraw/zinc/86/87/40/347868740.db2.gz ZTSNYHQXLQARLW-BHWOMJMDSA-N 1 0 223.319 3.286 10 0 BGAERO CC[C@@H]1C[C@H](C)O[C@@H]1[NH2+]C1CCCCC1 ZINC000196396024 171129064 /nfs/dbraw/zinc/12/90/64/171129064.db2.gz VYXFYHIYKRSQEU-LOWVWBTDSA-N 1 0 211.349 3.070 10 0 BGAERO CC[C@@H]1C[C@@H](C)O[C@@H]1[NH2+]C1CCCCC1 ZINC000196396040 171118163 /nfs/dbraw/zinc/11/81/63/171118163.db2.gz VYXFYHIYKRSQEU-WZRBSPASSA-N 1 0 211.349 3.070 10 0 BGAERO [NH3+]Cc1ccc(CCCc2ccccc2)s1 ZINC000196432462 397848009 /nfs/dbraw/zinc/84/80/09/397848009.db2.gz YPYZKOXLMGRCBF-UHFFFAOYSA-N 1 0 231.364 3.382 10 0 BGAERO COc1cccc(C2=CC[C@@H]3CCCC[N@@H+]3C2)c1 ZINC000196450749 347889006 /nfs/dbraw/zinc/88/90/06/347889006.db2.gz ZIXLLOYUMCDFTQ-HNNXBMFYSA-N 1 0 243.350 3.337 10 0 BGAERO COc1cccc(C2=CC[C@H]3CCCC[N@@H+]3C2)c1 ZINC000196450759 347888997 /nfs/dbraw/zinc/88/89/97/347888997.db2.gz ZIXLLOYUMCDFTQ-OAHLLOKOSA-N 1 0 243.350 3.337 10 0 BGAERO C[C@H]1CC(C)(C)[NH2+][C@@H](CCc2ccccc2)O1 ZINC000196551859 343632659 /nfs/dbraw/zinc/63/26/59/343632659.db2.gz FTKMTKKBBQOHBM-GXTWGEPZSA-N 1 0 233.355 3.122 10 0 BGAERO CCCCc1ccc2[nH+]c(N)cc(OC)c2c1 ZINC000196872064 348046581 /nfs/dbraw/zinc/04/65/81/348046581.db2.gz XITCHFRNZDGVQW-UHFFFAOYSA-N 1 0 230.311 3.168 10 0 BGAERO C[C@@]12CCC[N@@H+]1CCc1c3ccccc3[nH]c12 ZINC000196916543 348053518 /nfs/dbraw/zinc/05/35/18/348053518.db2.gz ITJNAPPMZWOVBX-HNNXBMFYSA-N 1 0 226.323 3.035 10 0 BGAERO C[C@]12CCC[N@@H+]1CCc1c3ccccc3[nH]c12 ZINC000196916553 348053632 /nfs/dbraw/zinc/05/36/32/348053632.db2.gz ITJNAPPMZWOVBX-OAHLLOKOSA-N 1 0 226.323 3.035 10 0 BGAERO c1ccc(C2=[NH+]CCCc3ccccc32)cc1 ZINC000197077828 343639900 /nfs/dbraw/zinc/63/99/00/343639900.db2.gz GCADQQJTXBTXCI-UHFFFAOYSA-N 1 0 221.303 3.470 10 0 BGAERO C[NH+](C)/C=C\C(=S)Nc1ccc(Cl)cc1 ZINC000199109419 644468794 /nfs/dbraw/zinc/46/87/94/644468794.db2.gz GIXLLUTUSKYBHZ-FPLPWBNLSA-N 1 0 240.759 3.155 10 0 BGAERO CC[C@@H](C)c1[nH]c2ccccc2c1CC[NH3+] ZINC000199884520 344135725 /nfs/dbraw/zinc/13/57/25/344135725.db2.gz ISQAYXUGFMRYNM-SNVBAGLBSA-N 1 0 216.328 3.183 10 0 BGAERO CC[C@H](C)c1[nH]c2ccccc2c1CC[NH3+] ZINC000199884543 346645499 /nfs/dbraw/zinc/64/54/99/346645499.db2.gz ISQAYXUGFMRYNM-JTQLQIEISA-N 1 0 216.328 3.183 10 0 BGAERO CC(C)(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000200390569 343282633 /nfs/dbraw/zinc/28/26/33/343282633.db2.gz RHWBUAIQWVPDNX-CQSZACIVSA-N 1 0 245.366 3.124 10 0 BGAERO CC(C)(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000200390607 343282556 /nfs/dbraw/zinc/28/25/56/343282556.db2.gz RHWBUAIQWVPDNX-AWEZNQCLSA-N 1 0 245.366 3.124 10 0 BGAERO Cc1cccc(C)c1[C@@H](C[NH3+])c1ccccc1 ZINC000200817298 343311519 /nfs/dbraw/zinc/31/15/19/343311519.db2.gz NHUUIKSFZCFOCL-HNNXBMFYSA-N 1 0 225.335 3.394 10 0 BGAERO Cc1cccc(C)c1[C@H](C[NH3+])c1ccccc1 ZINC000200817334 343311795 /nfs/dbraw/zinc/31/17/95/343311795.db2.gz NHUUIKSFZCFOCL-OAHLLOKOSA-N 1 0 225.335 3.394 10 0 BGAERO C[NH2+][C@@H](C)c1cc(C)cc(C(F)(F)F)c1 ZINC000201426280 343379443 /nfs/dbraw/zinc/37/94/43/343379443.db2.gz ARSOQMRECKSXNC-QMMMGPOBSA-N 1 0 217.234 3.294 10 0 BGAERO CC(C)C[NH2+]Cc1ccc2c(c1)OCCCC2 ZINC000202422667 348018776 /nfs/dbraw/zinc/01/87/76/348018776.db2.gz QXYCEDWLHHMBCO-UHFFFAOYSA-N 1 0 233.355 3.147 10 0 BGAERO CC(C)C[NH2+]Cc1ccc2c(c1)CCCCO2 ZINC000202422817 358442207 /nfs/dbraw/zinc/44/22/07/358442207.db2.gz XMDYHXUFVCNJPW-UHFFFAOYSA-N 1 0 233.355 3.147 10 0 BGAERO C[C@H]([NH3+])c1cc2cccnc2nc1-c1ccccc1 ZINC000203711979 347439823 /nfs/dbraw/zinc/43/98/23/347439823.db2.gz CIHUYLGBOIWTAE-NSHDSACASA-N 1 0 249.317 3.317 10 0 BGAERO C[C@@H]([NH3+])c1cc2cccnc2nc1-c1ccccc1 ZINC000203711984 347439996 /nfs/dbraw/zinc/43/99/96/347439996.db2.gz CIHUYLGBOIWTAE-LLVKDONJSA-N 1 0 249.317 3.317 10 0 BGAERO Cc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@@H]1C)C2 ZINC000203993825 343553768 /nfs/dbraw/zinc/55/37/68/343553768.db2.gz JKQYBACECGCDLM-BBRMVZONSA-N 1 0 229.367 3.337 10 0 BGAERO O=C1CC[NH+]([C@@H]2CC[C@@H]3CCCC[C@@H]3C2)CC1 ZINC000204587607 343572500 /nfs/dbraw/zinc/57/25/00/343572500.db2.gz VQMUYQDCUXEZMF-BFHYXJOUSA-N 1 0 235.371 3.010 10 0 BGAERO CC(C)(C)[Si](C)(C)OCC[NH2+]CC1CC1 ZINC000204641619 364647442 /nfs/dbraw/zinc/64/74/42/364647442.db2.gz XXUVJOHBFFQHCV-UHFFFAOYSA-N 1 0 229.440 3.008 10 0 BGAERO c1c2ccccc2sc1C[C@H]1CCC[NH2+]C1 ZINC000204855912 347442366 /nfs/dbraw/zinc/44/23/66/347442366.db2.gz UWPDSEAYXXQMDL-LLVKDONJSA-N 1 0 231.364 3.443 10 0 BGAERO C[C@@H]1C[C@@H]2CCC=C3C=C(Cl)C(=C32)C[NH2+]1 ZINC000205049014 343613757 /nfs/dbraw/zinc/61/37/57/343613757.db2.gz UMSFUWVYJHWKOL-BDAKNGLRSA-N 1 0 221.731 3.138 10 0 BGAERO C[C@H]1C[C@@H]2CCC=C3C=C(Cl)C(=C32)C[NH2+]1 ZINC000205049035 343613845 /nfs/dbraw/zinc/61/38/45/343613845.db2.gz UMSFUWVYJHWKOL-IUCAKERBSA-N 1 0 221.731 3.138 10 0 BGAERO C[C@@H]1C[C@H]2CCC=C3C=C(Cl)C(=C32)C[NH2+]1 ZINC000205049056 343614009 /nfs/dbraw/zinc/61/40/09/343614009.db2.gz UMSFUWVYJHWKOL-RKDXNWHRSA-N 1 0 221.731 3.138 10 0 BGAERO C[C@H]1C[C@H]2CCC=C3C=C(Cl)C(=C32)C[NH2+]1 ZINC000205049070 343614028 /nfs/dbraw/zinc/61/40/28/343614028.db2.gz UMSFUWVYJHWKOL-DTWKUNHWSA-N 1 0 221.731 3.138 10 0 BGAERO CC[C@@H]1C[NH2+]CC[C@@H]1CC=C(Cl)Cl ZINC000205081828 171102201 /nfs/dbraw/zinc/10/22/01/171102201.db2.gz MVUJSHBPTCISQJ-BDAKNGLRSA-N 1 0 222.159 3.331 10 0 BGAERO CC[C@H]1C[NH2+]CC[C@@H]1CC=C(Cl)Cl ZINC000205081842 171668357 /nfs/dbraw/zinc/66/83/57/171668357.db2.gz MVUJSHBPTCISQJ-IUCAKERBSA-N 1 0 222.159 3.331 10 0 BGAERO CC[C@@H]1C[NH2+]CC[C@H]1CC=C(Cl)Cl ZINC000205081859 171101920 /nfs/dbraw/zinc/10/19/20/171101920.db2.gz MVUJSHBPTCISQJ-RKDXNWHRSA-N 1 0 222.159 3.331 10 0 BGAERO Cc1ccsc1[C@H]1[NH2+]CCc2sccc21 ZINC000205973452 589480952 /nfs/dbraw/zinc/48/09/52/589480952.db2.gz IPXNUUMZEBFBDK-NSHDSACASA-N 1 0 235.377 3.353 10 0 BGAERO Cc1ccsc1[C@@H]1[NH2+]CCc2sccc21 ZINC000205973466 589480840 /nfs/dbraw/zinc/48/08/40/589480840.db2.gz IPXNUUMZEBFBDK-LLVKDONJSA-N 1 0 235.377 3.353 10 0 BGAERO C#[N+]/C(C(=O)OC)=C(/C)c1ccc(Cl)cc1 ZINC000206801928 345757879 /nfs/dbraw/zinc/75/78/79/345757879.db2.gz JXNNXZPPASCIII-FLIBITNWSA-N 1 0 235.670 3.163 10 0 BGAERO COc1ccc(C[C@H]2C=C(C)C=C(C)[N@@H+]2C)cc1 ZINC000207544647 358431516 /nfs/dbraw/zinc/43/15/16/358431516.db2.gz MIBIUKFRENRWIW-OAHLLOKOSA-N 1 0 243.350 3.402 10 0 BGAERO COc1ccc(C[C@@H]2C=C(C)C=C(C)[N@@H+]2C)cc1 ZINC000207544690 358431794 /nfs/dbraw/zinc/43/17/94/358431794.db2.gz MIBIUKFRENRWIW-HNNXBMFYSA-N 1 0 243.350 3.402 10 0 BGAERO C[C@@]12[NH2+][C@@](C)(Cc3ccccc31)c1ccccc12 ZINC000210139676 344334064 /nfs/dbraw/zinc/33/40/64/344334064.db2.gz UEBMWQOOTCTCCC-DLBZAZTESA-N 1 0 235.330 3.325 10 0 BGAERO c1cc(C2CC[NH2+]CC2)ccc1OC1CCC1 ZINC000211097809 384902447 /nfs/dbraw/zinc/90/24/47/384902447.db2.gz MSSYRQJMUNJNMV-UHFFFAOYSA-N 1 0 231.339 3.085 10 0 BGAERO c1cc(OC2CCC2)cc(C2CC[NH2+]CC2)c1 ZINC000211098112 384902916 /nfs/dbraw/zinc/90/29/16/384902916.db2.gz LAJCXTCZRVGSGP-UHFFFAOYSA-N 1 0 231.339 3.085 10 0 BGAERO Cc1nc([C@@H](C)[NH3+])sc1-c1ccccc1 ZINC000211345779 180032359 /nfs/dbraw/zinc/03/23/59/180032359.db2.gz VQUYNPDSYSZIMR-MRVPVSSYSA-N 1 0 218.325 3.138 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CC(C)(C)CO ZINC000211495563 488265888 /nfs/dbraw/zinc/26/58/88/488265888.db2.gz XSHGWTHZNHGMDB-HZSPNIEDSA-N 1 0 241.419 3.055 10 0 BGAERO CC(=O)[C@@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000211537764 591194218 /nfs/dbraw/zinc/19/42/18/591194218.db2.gz VEMSRBNZKGZQQE-MEMKZHQFSA-N 1 0 243.350 3.001 10 0 BGAERO CC(=O)[C@H]1CCC[N@H+](C/C=C\c2ccccc2)C1 ZINC000211537845 591194228 /nfs/dbraw/zinc/19/42/28/591194228.db2.gz VEMSRBNZKGZQQE-GEZBDVBVSA-N 1 0 243.350 3.001 10 0 BGAERO FC(F)(F)c1ccc2c(c1)C1(CCC1)C[NH2+]C2 ZINC000211571637 491086581 /nfs/dbraw/zinc/08/65/81/491086581.db2.gz GLZVTUUKLVWWMW-UHFFFAOYSA-N 1 0 241.256 3.230 10 0 BGAERO FC(F)(F)c1cccc2c1C[NH2+]CC21CCC1 ZINC000211586948 398047033 /nfs/dbraw/zinc/04/70/33/398047033.db2.gz KVSCNDHVOUFDFC-UHFFFAOYSA-N 1 0 241.256 3.230 10 0 BGAERO [NH3+]CC1CCC(Oc2ccc(Cl)cc2)CC1 ZINC000211928552 181363704 /nfs/dbraw/zinc/36/37/04/181363704.db2.gz IJNSURKZRVPURS-UHFFFAOYSA-N 1 0 239.746 3.236 10 0 BGAERO c1cc2c(o1)CC[NH2+][C@H]2C1CCCCC1 ZINC000212344352 539027943 /nfs/dbraw/zinc/02/79/43/539027943.db2.gz LMBQLATWDFYKAF-ZDUSSCGKSA-N 1 0 205.301 3.047 10 0 BGAERO c1cc2c(o1)CC[NH2+][C@@H]2C1CCCCC1 ZINC000212344417 539027973 /nfs/dbraw/zinc/02/79/73/539027973.db2.gz LMBQLATWDFYKAF-CYBMUJFWSA-N 1 0 205.301 3.047 10 0 BGAERO c1cc2c(o1)[C@@H](C1CCCCC1)[NH2+]CC2 ZINC000212344684 541384131 /nfs/dbraw/zinc/38/41/31/541384131.db2.gz CVHZZMWXVUJNNZ-GFCCVEGCSA-N 1 0 205.301 3.047 10 0 BGAERO c1cc2c(o1)[C@H](C1CCCCC1)[NH2+]CC2 ZINC000212344746 539027759 /nfs/dbraw/zinc/02/77/59/539027759.db2.gz CVHZZMWXVUJNNZ-LBPRGKRZSA-N 1 0 205.301 3.047 10 0 BGAERO c1cc2c(s1)CC[NH2+]C21CCCCC1 ZINC000212368604 538088483 /nfs/dbraw/zinc/08/84/83/538088483.db2.gz KJRXLIJOICRECP-UHFFFAOYSA-N 1 0 207.342 3.053 10 0 BGAERO Cc1[nH]c(N)[nH+]c1-c1ccc(Cl)c(Cl)c1 ZINC000212583510 344759291 /nfs/dbraw/zinc/75/92/91/344759291.db2.gz KWXUCOIVGXZVAO-UHFFFAOYSA-N 1 0 242.109 3.274 10 0 BGAERO C[C@H]([NH3+])c1ccc(C(F)(F)F)cc1Cl ZINC000212710721 357948303 /nfs/dbraw/zinc/94/83/03/357948303.db2.gz SQDYNHWWIVDWAV-YFKPBYRVSA-N 1 0 223.625 3.379 10 0 BGAERO C[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1Cl ZINC000212710789 357947771 /nfs/dbraw/zinc/94/77/71/357947771.db2.gz SQDYNHWWIVDWAV-RXMQYKEDSA-N 1 0 223.625 3.379 10 0 BGAERO C[C@H]([NH3+])c1ccc(Oc2ccc(F)cc2)nc1 ZINC000213122245 398065630 /nfs/dbraw/zinc/06/56/30/398065630.db2.gz MYAMJVOQSWKMPR-VIFPVBQESA-N 1 0 232.258 3.033 10 0 BGAERO CC1(C)CC[C@H]([NH3+])c2ccc(Cl)cc21 ZINC000213448304 591474784 /nfs/dbraw/zinc/47/47/84/591474784.db2.gz SNODLJUBDCOZIJ-NSHDSACASA-N 1 0 209.720 3.411 10 0 BGAERO CC1(C)CC[C@@H]([NH3+])c2ccc(Cl)cc21 ZINC000213448368 583626186 /nfs/dbraw/zinc/62/61/86/583626186.db2.gz SNODLJUBDCOZIJ-LLVKDONJSA-N 1 0 209.720 3.411 10 0 BGAERO [NH3+][C@H]1Cc2ccccc2[C@H](c2ccc(F)cc2)C1 ZINC000213835455 345691442 /nfs/dbraw/zinc/69/14/42/345691442.db2.gz HNLKZXHKZZXPRJ-HOCLYGCPSA-N 1 0 241.309 3.231 10 0 BGAERO [NH3+]C/C=C(\c1ccccc1)c1ccc(F)cc1 ZINC000213945465 345697272 /nfs/dbraw/zinc/69/72/72/345697272.db2.gz CWXHAMQWPIDKOL-XNTDXEJSSA-N 1 0 227.282 3.216 10 0 BGAERO C[C@@H]1Cc2ccc(Br)cc2[C@H]([NH3+])C1 ZINC000214479141 711447617 /nfs/dbraw/zinc/44/76/17/711447617.db2.gz POQRCFRZTATDNB-RDDDGLTNSA-N 1 0 240.144 3.031 10 0 BGAERO C[C@H]1Cc2ccc(Br)cc2[C@H]([NH3+])C1 ZINC000214479189 711447722 /nfs/dbraw/zinc/44/77/22/711447722.db2.gz POQRCFRZTATDNB-WRWORJQWSA-N 1 0 240.144 3.031 10 0 BGAERO C[C@@H]1Cc2ccc(Br)cc2[C@@H]([NH3+])C1 ZINC000214479245 711447834 /nfs/dbraw/zinc/44/78/34/711447834.db2.gz POQRCFRZTATDNB-HQJQHLMTSA-N 1 0 240.144 3.031 10 0 BGAERO C[C@H]1Cc2ccc(Br)cc2[C@@H]([NH3+])C1 ZINC000214479302 711447850 /nfs/dbraw/zinc/44/78/50/711447850.db2.gz POQRCFRZTATDNB-CPCISQLKSA-N 1 0 240.144 3.031 10 0 BGAERO C[C@@H]1Cc2c(Br)cccc2[C@H]([NH3+])C1 ZINC000214479372 711447646 /nfs/dbraw/zinc/44/76/46/711447646.db2.gz LJMUWOAKHPAFEZ-RDDDGLTNSA-N 1 0 240.144 3.031 10 0 BGAERO C[C@H]1Cc2c(Br)cccc2[C@H]([NH3+])C1 ZINC000214479423 711447627 /nfs/dbraw/zinc/44/76/27/711447627.db2.gz LJMUWOAKHPAFEZ-WRWORJQWSA-N 1 0 240.144 3.031 10 0 BGAERO C[C@@H]1Cc2c(Br)cccc2[C@@H]([NH3+])C1 ZINC000214479478 711447476 /nfs/dbraw/zinc/44/74/76/711447476.db2.gz LJMUWOAKHPAFEZ-HQJQHLMTSA-N 1 0 240.144 3.031 10 0 BGAERO C[C@H]1Cc2c(Br)cccc2[C@@H]([NH3+])C1 ZINC000214479526 566458516 /nfs/dbraw/zinc/45/85/16/566458516.db2.gz LJMUWOAKHPAFEZ-CPCISQLKSA-N 1 0 240.144 3.031 10 0 BGAERO C[NH2+][C@H]1c2cc(Cl)ccc2CC1(C)C ZINC000214774899 349999948 /nfs/dbraw/zinc/99/99/48/349999948.db2.gz WJOAJDQXOJPLCD-NSHDSACASA-N 1 0 209.720 3.183 10 0 BGAERO C[NH2+][C@@H]1c2cc(Cl)ccc2CC1(C)C ZINC000214774953 349999936 /nfs/dbraw/zinc/99/99/36/349999936.db2.gz WJOAJDQXOJPLCD-LLVKDONJSA-N 1 0 209.720 3.183 10 0 BGAERO Cc1ccc([C@@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000215026364 368138640 /nfs/dbraw/zinc/13/86/40/368138640.db2.gz FQEAYJLRHGLZHC-LBPRGKRZSA-N 1 0 209.720 3.463 10 0 BGAERO Cc1ccc([C@H]2CCCC[NH2+]2)c(Cl)c1 ZINC000215026406 368139166 /nfs/dbraw/zinc/13/91/66/368139166.db2.gz FQEAYJLRHGLZHC-GFCCVEGCSA-N 1 0 209.720 3.463 10 0 BGAERO Cc1ccc([C@@H]2CCCC[NH2+]2)c(F)c1F ZINC000215126551 342931529 /nfs/dbraw/zinc/93/15/29/342931529.db2.gz WUXBTTTXLAONID-JTQLQIEISA-N 1 0 211.255 3.088 10 0 BGAERO Cc1ccc([C@H]2CCCC[NH2+]2)c(F)c1F ZINC000215126600 342931437 /nfs/dbraw/zinc/93/14/37/342931437.db2.gz WUXBTTTXLAONID-SNVBAGLBSA-N 1 0 211.255 3.088 10 0 BGAERO C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000215245425 370245370 /nfs/dbraw/zinc/24/53/70/370245370.db2.gz XAJJAHMUVVSIHN-LLVKDONJSA-N 1 0 240.144 3.046 10 0 BGAERO C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000215245542 370245680 /nfs/dbraw/zinc/24/56/80/370245680.db2.gz NITCKKCCRMYAKU-LLVKDONJSA-N 1 0 240.144 3.046 10 0 BGAERO C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000215245584 370255530 /nfs/dbraw/zinc/25/55/30/370255530.db2.gz NITCKKCCRMYAKU-NSHDSACASA-N 1 0 240.144 3.046 10 0 BGAERO Fc1c(Cl)cccc1[C@@H]1CCCC[NH2+]1 ZINC000215278037 370401905 /nfs/dbraw/zinc/40/19/05/370401905.db2.gz RZWUZBWYQUKDAM-JTQLQIEISA-N 1 0 213.683 3.294 10 0 BGAERO Fc1c(Cl)cccc1[C@H]1CCCC[NH2+]1 ZINC000215278078 370402129 /nfs/dbraw/zinc/40/21/29/370402129.db2.gz RZWUZBWYQUKDAM-SNVBAGLBSA-N 1 0 213.683 3.294 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000215293727 368401537 /nfs/dbraw/zinc/40/15/37/368401537.db2.gz SDLYJQGZRSJHFQ-ZIAGYGMSSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000215293770 368401925 /nfs/dbraw/zinc/40/19/25/368401925.db2.gz SDLYJQGZRSJHFQ-UONOGXRCSA-N 1 0 203.329 3.098 10 0 BGAERO CC(=O)[C@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC000215416575 635190980 /nfs/dbraw/zinc/19/09/80/635190980.db2.gz IEUKDHRTVVAEKK-HNNXBMFYSA-N 1 0 245.366 3.104 10 0 BGAERO CC(=O)[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)C1 ZINC000215416626 591946305 /nfs/dbraw/zinc/94/63/05/591946305.db2.gz IEUKDHRTVVAEKK-OAHLLOKOSA-N 1 0 245.366 3.104 10 0 BGAERO c1ccc2cc([C@@H]3CCCC[NH2+]3)ncc2c1 ZINC000215632743 351123720 /nfs/dbraw/zinc/12/37/20/351123720.db2.gz MNXQMLLMNUAFBF-ZDUSSCGKSA-N 1 0 212.296 3.049 10 0 BGAERO c1ccc2cc([C@H]3CCCC[NH2+]3)ncc2c1 ZINC000215632799 351123975 /nfs/dbraw/zinc/12/39/75/351123975.db2.gz MNXQMLLMNUAFBF-CYBMUJFWSA-N 1 0 212.296 3.049 10 0 BGAERO Cc1ccc(-c2ccc3c(c2)C[NH2+]C3)cc1 ZINC000215645772 178325264 /nfs/dbraw/zinc/32/52/64/178325264.db2.gz ZRZOLVXZPULARU-UHFFFAOYSA-N 1 0 209.292 3.265 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1c1cccc(Br)c1 ZINC000215888251 371653882 /nfs/dbraw/zinc/65/38/82/371653882.db2.gz ULEYZCIHKADBNB-QWRGUYRKSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1c1cccc(Br)c1 ZINC000215888299 386827705 /nfs/dbraw/zinc/82/77/05/386827705.db2.gz ULEYZCIHKADBNB-MNOVXSKESA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1c1cccc(Br)c1 ZINC000215888339 371653532 /nfs/dbraw/zinc/65/35/32/371653532.db2.gz ULEYZCIHKADBNB-WDEREUQCSA-N 1 0 240.144 3.044 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1c1cccc(Br)c1 ZINC000215888394 371653277 /nfs/dbraw/zinc/65/32/77/371653277.db2.gz ULEYZCIHKADBNB-GHMZBOCLSA-N 1 0 240.144 3.044 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@@H]2C[C@@H](C)CC[C@@H]2[NH3+])C1 ZINC000216073925 371693541 /nfs/dbraw/zinc/69/35/41/371693541.db2.gz ULHMOODOKDYYEJ-IKOXMDCHSA-N 1 0 225.376 3.098 10 0 BGAERO CCC[N@H+]1CCc2ccc(O)cc2[C@H](C)CC1 ZINC000216081407 342750316 /nfs/dbraw/zinc/75/03/16/342750316.db2.gz ZVTOWXGIOUKQHS-GFCCVEGCSA-N 1 0 233.355 3.154 10 0 BGAERO CCC[N@H+]1CCc2ccc(O)cc2[C@@H](C)CC1 ZINC000216081459 342750503 /nfs/dbraw/zinc/75/05/03/342750503.db2.gz ZVTOWXGIOUKQHS-LBPRGKRZSA-N 1 0 233.355 3.154 10 0 BGAERO Fc1cc(Cl)ccc1CC1CC[NH2+]CC1 ZINC000216304199 347479309 /nfs/dbraw/zinc/47/93/09/347479309.db2.gz ZMYAUEXANFTFFT-UHFFFAOYSA-N 1 0 227.710 3.021 10 0 BGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@@H]1C ZINC000216410711 355993630 /nfs/dbraw/zinc/99/36/30/355993630.db2.gz UINDPKLFIMSAMA-NZVBXONLSA-N 1 0 231.339 3.071 10 0 BGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@@H]1C ZINC000216410752 355993623 /nfs/dbraw/zinc/99/36/23/355993623.db2.gz UINDPKLFIMSAMA-LKTVYLICSA-N 1 0 231.339 3.071 10 0 BGAERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@@H]1C ZINC000216416457 350706606 /nfs/dbraw/zinc/70/66/06/350706606.db2.gz XQZZSAYZGYTXJV-OUCADQQQSA-N 1 0 203.329 3.006 10 0 BGAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@@H]1C ZINC000216416501 350000343 /nfs/dbraw/zinc/00/03/43/350000343.db2.gz XQZZSAYZGYTXJV-SCRDCRAPSA-N 1 0 203.329 3.006 10 0 BGAERO CC(C)[C@H]([NH2+][C@@H]1C[C@@H]1C)c1ccccc1 ZINC000216428680 259426671 /nfs/dbraw/zinc/42/66/71/259426671.db2.gz ZKHDOUPZBVJALX-YUTCNCBUSA-N 1 0 203.329 3.382 10 0 BGAERO CC(C)[C@H]([NH2+][C@H]1C[C@@H]1C)c1ccccc1 ZINC000216428727 259426694 /nfs/dbraw/zinc/42/66/94/259426694.db2.gz ZKHDOUPZBVJALX-UBHSHLNASA-N 1 0 203.329 3.382 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000216429002 386169657 /nfs/dbraw/zinc/16/96/57/386169657.db2.gz ZFBIPJVVITXZHC-IIMNLJJBSA-N 1 0 219.303 3.275 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccc(F)cc1)C1CC1 ZINC000216429090 386168398 /nfs/dbraw/zinc/16/83/98/386168398.db2.gz ZFBIPJVVITXZHC-FZQKWOKYSA-N 1 0 219.303 3.275 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000216430015 350718681 /nfs/dbraw/zinc/71/86/81/350718681.db2.gz IAXLHQSFDIETDR-DDTOSNHZSA-N 1 0 201.313 3.136 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccccc1)C1CC1 ZINC000216430104 350718691 /nfs/dbraw/zinc/71/86/91/350718691.db2.gz IAXLHQSFDIETDR-LERXQTSPSA-N 1 0 201.313 3.136 10 0 BGAERO C[C@@H](C[NH2+][C@@H]1CCCC[C@@H]1C)N1CCCCC1 ZINC000216467122 177089173 /nfs/dbraw/zinc/08/91/73/177089173.db2.gz HOHUDWVXQSKUMX-SOUVJXGZSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@@H](C[NH2+][C@H]1CCCC[C@@H]1C)N1CCCCC1 ZINC000216467169 177082754 /nfs/dbraw/zinc/08/27/54/177082754.db2.gz HOHUDWVXQSKUMX-KKUMJFAQSA-N 1 0 238.419 3.029 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000216548415 371766194 /nfs/dbraw/zinc/76/61/94/371766194.db2.gz YSPJLGUSCJZGQD-GGVZMXCHSA-N 1 0 240.144 3.105 10 0 BGAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000216548502 371766326 /nfs/dbraw/zinc/76/63/26/371766326.db2.gz YSPJLGUSCJZGQD-ONOSFVFSSA-N 1 0 240.144 3.105 10 0 BGAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000216573501 371769631 /nfs/dbraw/zinc/76/96/31/371769631.db2.gz BKFNSBUTBNXMJD-HCVRKRLWSA-N 1 0 201.722 3.057 10 0 BGAERO Fc1ccc(Cl)c(F)c1[C@@H]1CCCC[NH2+]1 ZINC000216640254 356473705 /nfs/dbraw/zinc/47/37/05/356473705.db2.gz MCUMCJVCAMMSPO-VIFPVBQESA-N 1 0 231.673 3.433 10 0 BGAERO [NH3+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000216659498 385870823 /nfs/dbraw/zinc/87/08/23/385870823.db2.gz GPGVWJNJGQOPEM-OCAPTIKFSA-N 1 0 216.111 3.198 10 0 BGAERO Clc1ccc([C@H]2[NH2+]CCc3occc32)cc1 ZINC000216830371 538116592 /nfs/dbraw/zinc/11/65/92/538116592.db2.gz LVLBZHRZXZYZLG-CYBMUJFWSA-N 1 0 233.698 3.168 10 0 BGAERO Clc1ccc([C@@H]2[NH2+]CCc3occc32)cc1 ZINC000216830400 538116729 /nfs/dbraw/zinc/11/67/29/538116729.db2.gz LVLBZHRZXZYZLG-ZDUSSCGKSA-N 1 0 233.698 3.168 10 0 BGAERO Clc1cccc([C@H]2[NH2+]CCc3occc32)c1 ZINC000216830448 538116718 /nfs/dbraw/zinc/11/67/18/538116718.db2.gz QMEDHWFAHOUXGF-CYBMUJFWSA-N 1 0 233.698 3.168 10 0 BGAERO Clc1cccc([C@@H]2[NH2+]CCc3occc32)c1 ZINC000216830475 538116755 /nfs/dbraw/zinc/11/67/55/538116755.db2.gz QMEDHWFAHOUXGF-ZDUSSCGKSA-N 1 0 233.698 3.168 10 0 BGAERO CCCn1ccc(C[NH2+][C@H](CC)CSC)c1 ZINC000217328209 169622895 /nfs/dbraw/zinc/62/28/95/169622895.db2.gz HUYWUZJBOOSBRP-CYBMUJFWSA-N 1 0 240.416 3.129 10 0 BGAERO O[C@@H]1CCC[C@@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000217617871 490475217 /nfs/dbraw/zinc/47/52/17/490475217.db2.gz KMMHPRXEKIPUBT-OAGGEKHMSA-N 1 0 245.366 3.031 10 0 BGAERO O[C@@H]1CCC[C@H]([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000217617961 490475790 /nfs/dbraw/zinc/47/57/90/490475790.db2.gz KMMHPRXEKIPUBT-XHSDSOJGSA-N 1 0 245.366 3.031 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccs1 ZINC000217621638 490475625 /nfs/dbraw/zinc/47/56/25/490475625.db2.gz JXTGLQGKEODCEF-UTUOFQBUSA-N 1 0 239.384 3.092 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccs1 ZINC000217621795 490476734 /nfs/dbraw/zinc/47/67/34/490476734.db2.gz JXTGLQGKEODCEF-TUAOUCFPSA-N 1 0 239.384 3.092 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000217630842 490476823 /nfs/dbraw/zinc/47/68/23/490476823.db2.gz OXYASHQCRWXTCL-OAGGEKHMSA-N 1 0 247.382 3.421 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000217631013 490476538 /nfs/dbraw/zinc/47/65/38/490476538.db2.gz OXYASHQCRWXTCL-XHSDSOJGSA-N 1 0 247.382 3.421 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000217632291 490476728 /nfs/dbraw/zinc/47/67/28/490476728.db2.gz DLSPKRSJLFWJOM-RRFJBIMHSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000217632449 490476481 /nfs/dbraw/zinc/47/64/81/490476481.db2.gz DLSPKRSJLFWJOM-SOUVJXGZSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1C ZINC000217645432 490476855 /nfs/dbraw/zinc/47/68/55/490476855.db2.gz AWOVFBHFILQUQU-NUEKZKHPSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1C ZINC000217645587 490476589 /nfs/dbraw/zinc/47/65/89/490476589.db2.gz AWOVFBHFILQUQU-CWRNSKLLSA-N 1 0 247.382 3.258 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217650001 592148612 /nfs/dbraw/zinc/14/86/12/592148612.db2.gz SRNPKDRDWNBIOT-BFHYXJOUSA-N 1 0 227.392 3.238 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000217650166 583172655 /nfs/dbraw/zinc/17/26/55/583172655.db2.gz SRNPKDRDWNBIOT-MELADBBJSA-N 1 0 227.392 3.238 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cc1 ZINC000217650729 491130733 /nfs/dbraw/zinc/13/07/33/491130733.db2.gz POIGKUZBTGTWHP-APHBMKBZSA-N 1 0 247.382 3.203 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cc1 ZINC000217650911 491130744 /nfs/dbraw/zinc/13/07/44/491130744.db2.gz POIGKUZBTGTWHP-VBNZEHGJSA-N 1 0 247.382 3.203 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000217651280 491130755 /nfs/dbraw/zinc/13/07/55/491130755.db2.gz WCBUJFQEFCMKFP-IGQOVBAYSA-N 1 0 227.392 3.094 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC(C)(C)C1 ZINC000217651759 371991549 /nfs/dbraw/zinc/99/15/49/371991549.db2.gz IXFNYDTZZXKVNE-YIYPIFLZSA-N 1 0 239.403 3.094 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)s1 ZINC000217653306 490478531 /nfs/dbraw/zinc/47/85/31/490478531.db2.gz GNFMQOHSCDAXMF-QJPTWQEYSA-N 1 0 239.384 3.011 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)s1 ZINC000217653476 490479154 /nfs/dbraw/zinc/47/91/54/490479154.db2.gz GNFMQOHSCDAXMF-SDDRHHMPSA-N 1 0 239.384 3.011 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c(C)c1 ZINC000217663353 490478938 /nfs/dbraw/zinc/47/89/38/490478938.db2.gz BTSNZHKYCBSGQM-RRFJBIMHSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c(C)c1 ZINC000217663506 490478550 /nfs/dbraw/zinc/47/85/50/490478550.db2.gz BTSNZHKYCBSGQM-SOUVJXGZSA-N 1 0 247.382 3.258 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccc(C)cc1 ZINC000217670968 490480331 /nfs/dbraw/zinc/48/03/31/490480331.db2.gz ZKTVCIVYCJCYOL-OAGGEKHMSA-N 1 0 247.382 3.339 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccc(C)cc1 ZINC000217671124 490479852 /nfs/dbraw/zinc/47/98/52/490479852.db2.gz ZKTVCIVYCJCYOL-XHSDSOJGSA-N 1 0 247.382 3.339 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000217671657 490480361 /nfs/dbraw/zinc/48/03/61/490480361.db2.gz UNPZUMHGBLKCJT-KFWWJZLASA-N 1 0 233.355 3.031 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000217671823 490480184 /nfs/dbraw/zinc/48/01/84/490480184.db2.gz UNPZUMHGBLKCJT-ZNMIVQPWSA-N 1 0 233.355 3.031 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCCC[C@@H]1C ZINC000217680629 323440475 /nfs/dbraw/zinc/44/04/75/323440475.db2.gz MLAGVNPWQPSPCO-RRFJBIMHSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCC[C@@H]1C ZINC000217680715 388570750 /nfs/dbraw/zinc/57/07/50/388570750.db2.gz MLAGVNPWQPSPCO-ZNMIVQPWSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@@H](C)C1 ZINC000217680849 256841747 /nfs/dbraw/zinc/84/17/47/256841747.db2.gz OOQQBNCGMBVRJB-RBSFLKMASA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@@H](C)C1 ZINC000217680942 388570786 /nfs/dbraw/zinc/57/07/86/388570786.db2.gz OOQQBNCGMBVRJB-QLFBSQMISA-N 1 0 240.435 3.131 10 0 BGAERO CCOC[C@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000217794577 535691248 /nfs/dbraw/zinc/69/12/48/535691248.db2.gz AKOUELVTSXZVGY-FRRDWIJNSA-N 1 0 227.392 3.216 10 0 BGAERO CCOC[C@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000217794709 134249977 /nfs/dbraw/zinc/24/99/77/134249977.db2.gz AKOUELVTSXZVGY-AGIUHOORSA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CCOCC1 ZINC000217857088 385893036 /nfs/dbraw/zinc/89/30/36/385893036.db2.gz MXSSUHZSIPFNNW-SNPRPXQTSA-N 1 0 239.403 3.216 10 0 BGAERO CC(C)[NH2+]Cc1cccc(-c2nccs2)c1 ZINC000218102185 344219112 /nfs/dbraw/zinc/21/91/12/344219112.db2.gz ABTWFABAUQXYCC-UHFFFAOYSA-N 1 0 232.352 3.308 10 0 BGAERO CC(C)(C)[Si](C)(C)OCC[NH2+]C1CCC1 ZINC000218142728 372068635 /nfs/dbraw/zinc/06/86/35/372068635.db2.gz JTWKLOONTZNJNE-UHFFFAOYSA-N 1 0 229.440 3.150 10 0 BGAERO CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000218306317 490519408 /nfs/dbraw/zinc/51/94/08/490519408.db2.gz QGHNYBMDKFLHPE-OAGGEKHMSA-N 1 0 247.382 3.277 10 0 BGAERO CC(C)[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000218306437 490519420 /nfs/dbraw/zinc/51/94/20/490519420.db2.gz QGHNYBMDKFLHPE-XHSDSOJGSA-N 1 0 247.382 3.277 10 0 BGAERO Cc1cc(/C=C\CC[NH3+])ccc1Br ZINC000218393029 372106172 /nfs/dbraw/zinc/10/61/72/372106172.db2.gz ZGGREEVIITYKSQ-RQOWECAXSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@H]([NH2+]C1CC1)c1cc(Cl)nc(Cl)c1 ZINC000218557852 345853228 /nfs/dbraw/zinc/85/32/28/345853228.db2.gz RHNRKUIDKYCWRB-LURJTMIESA-N 1 0 231.126 3.201 10 0 BGAERO C[C@@H]([NH2+]C1CC1)c1cc(Cl)nc(Cl)c1 ZINC000218557923 350095792 /nfs/dbraw/zinc/09/57/92/350095792.db2.gz RHNRKUIDKYCWRB-ZCFIWIBFSA-N 1 0 231.126 3.201 10 0 BGAERO C[C@@H]1CC[C@@H](C[NH3+])[C@@H](c2ccsc2)C1 ZINC000218588304 352661901 /nfs/dbraw/zinc/66/19/01/352661901.db2.gz WVCSDPVWBAMHTQ-SCVCMEIPSA-N 1 0 209.358 3.227 10 0 BGAERO C[C@@H]1CC[C@H](C[NH3+])[C@@H](c2ccsc2)C1 ZINC000218588448 352661896 /nfs/dbraw/zinc/66/18/96/352661896.db2.gz WVCSDPVWBAMHTQ-FOGDFJRCSA-N 1 0 209.358 3.227 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccc(Cl)cc2)ccn1 ZINC000218593554 178237527 /nfs/dbraw/zinc/23/75/27/178237527.db2.gz PYKCKOULQZIKKO-ZDUSSCGKSA-N 1 0 232.714 3.092 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccc(Cl)cc2)ccn1 ZINC000218593621 178262093 /nfs/dbraw/zinc/26/20/93/178262093.db2.gz PYKCKOULQZIKKO-CYBMUJFWSA-N 1 0 232.714 3.092 10 0 BGAERO C[C@]1(c2ccccc2)C[C@@H]([NH3+])Cc2ccccc21 ZINC000218937113 345855764 /nfs/dbraw/zinc/85/57/64/345855764.db2.gz 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DWHRLVYKBFRADN-DLOVCJGASA-N 1 0 236.359 3.458 10 0 BGAERO C[C@@H](c1ccc(F)c(Cl)c1)[NH+](C)C ZINC000219903224 343351759 /nfs/dbraw/zinc/35/17/59/343351759.db2.gz RKDDOYQIFQKRSL-ZETCQYMHSA-N 1 0 201.672 3.102 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1ccc(Cl)s1 ZINC000219940982 343429532 /nfs/dbraw/zinc/42/95/32/343429532.db2.gz VZHCHCMUFRHSHW-MRVPVSSYSA-N 1 0 201.722 3.072 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1ccc(Cl)s1 ZINC000219941010 350151412 /nfs/dbraw/zinc/15/14/12/350151412.db2.gz VZHCHCMUFRHSHW-QMMMGPOBSA-N 1 0 201.722 3.072 10 0 BGAERO O[C@@H]1CCCC[C@@H]1[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000219948465 259305174 /nfs/dbraw/zinc/30/51/74/259305174.db2.gz GQFNTKSKAJFYNQ-XHSDSOJGSA-N 1 0 245.366 3.031 10 0 BGAERO Cc1ccccc1-c1cc(C[NH3+])cs1 ZINC000220010898 350155549 /nfs/dbraw/zinc/15/55/49/350155549.db2.gz PZXBYKKRWZALMU-UHFFFAOYSA-N 1 0 203.310 3.182 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](OCc2ccccc2)C1 ZINC000220174556 171040281 /nfs/dbraw/zinc/04/02/81/171040281.db2.gz HKZUQEHMBFXBBS-YUELXQCFSA-N 1 0 233.355 3.109 10 0 BGAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](OCc2ccccc2)C1 ZINC000220174667 171056355 /nfs/dbraw/zinc/05/63/55/171056355.db2.gz HKZUQEHMBFXBBS-SNPRPXQTSA-N 1 0 233.355 3.109 10 0 BGAERO F[C@@H](c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000220203852 350166383 /nfs/dbraw/zinc/16/63/83/350166383.db2.gz ICBHQVNIMJOSEG-QWRGUYRKSA-N 1 0 213.683 3.103 10 0 BGAERO F[C@H](c1cccc(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000220203917 344100133 /nfs/dbraw/zinc/10/01/33/344100133.db2.gz ICBHQVNIMJOSEG-WDEREUQCSA-N 1 0 213.683 3.103 10 0 BGAERO F[C@@H](c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000220203980 344100181 /nfs/dbraw/zinc/10/01/81/344100181.db2.gz ICBHQVNIMJOSEG-MNOVXSKESA-N 1 0 213.683 3.103 10 0 BGAERO F[C@H](c1cccc(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000220204056 344100273 /nfs/dbraw/zinc/10/02/73/344100273.db2.gz ICBHQVNIMJOSEG-GHMZBOCLSA-N 1 0 213.683 3.103 10 0 BGAERO F[C@@H](c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000220204148 344100355 /nfs/dbraw/zinc/10/03/55/344100355.db2.gz FPWNYODHAMRMCD-QWRGUYRKSA-N 1 0 213.683 3.103 10 0 BGAERO F[C@H](c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000220204217 344100439 /nfs/dbraw/zinc/10/04/39/344100439.db2.gz FPWNYODHAMRMCD-WDEREUQCSA-N 1 0 213.683 3.103 10 0 BGAERO F[C@@H](c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000220204278 344100303 /nfs/dbraw/zinc/10/03/03/344100303.db2.gz FPWNYODHAMRMCD-MNOVXSKESA-N 1 0 213.683 3.103 10 0 BGAERO F[C@H](c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000220204337 344100430 /nfs/dbraw/zinc/10/04/30/344100430.db2.gz FPWNYODHAMRMCD-GHMZBOCLSA-N 1 0 213.683 3.103 10 0 BGAERO CCC[N@@H+]1CCC[C@H](c2cccc3c2CCN3)C1 ZINC000220216194 344108859 /nfs/dbraw/zinc/10/88/59/344108859.db2.gz INUGPHFNPWKVJA-ZDUSSCGKSA-N 1 0 244.382 3.244 10 0 BGAERO CCC[N@@H+]1CCC[C@@H](c2cccc3c2CCN3)C1 ZINC000220216268 344108953 /nfs/dbraw/zinc/10/89/53/344108953.db2.gz INUGPHFNPWKVJA-CYBMUJFWSA-N 1 0 244.382 3.244 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000220390952 384736661 /nfs/dbraw/zinc/73/66/61/384736661.db2.gz 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3.053 10 0 BGAERO C[C@@H]1SCC[C@@H]1[NH2+]CC1CCC(C)CC1 ZINC000220618746 490063788 /nfs/dbraw/zinc/06/37/88/490063788.db2.gz XPCGVVLLPRIQMN-MVKMKZAISA-N 1 0 227.417 3.296 10 0 BGAERO C[C@H]1SCC[C@@H]1[NH2+]CC1CCC(C)CC1 ZINC000220618806 491083297 /nfs/dbraw/zinc/08/32/97/491083297.db2.gz XPCGVVLLPRIQMN-KPFVRQRISA-N 1 0 227.417 3.296 10 0 BGAERO C[C@@H]1SCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC000220618870 491083315 /nfs/dbraw/zinc/08/33/15/491083315.db2.gz XPCGVVLLPRIQMN-PYNQCMFNSA-N 1 0 227.417 3.296 10 0 BGAERO C[C@H]1SCC[C@H]1[NH2+]CC1CCC(C)CC1 ZINC000220618933 490063626 /nfs/dbraw/zinc/06/36/26/490063626.db2.gz XPCGVVLLPRIQMN-POOIEITISA-N 1 0 227.417 3.296 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ccon1 ZINC000220719178 388607341 /nfs/dbraw/zinc/60/73/41/388607341.db2.gz BWHNMTMUQZIJCD-XBFCOCLRSA-N 1 0 236.359 3.225 10 0 BGAERO Cc1ccc([C@@H]2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC000220768790 398343779 /nfs/dbraw/zinc/34/37/79/398343779.db2.gz SCWUVOVOUGVYAL-RDJZCZTQSA-N 1 0 237.346 3.400 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1ccc(F)c(Cl)c1 ZINC000220818519 344593855 /nfs/dbraw/zinc/59/38/55/344593855.db2.gz ZTMZRPUKMHUGID-SNVBAGLBSA-N 1 0 213.683 3.150 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1ccc(F)c(Cl)c1 ZINC000220818593 344594265 /nfs/dbraw/zinc/59/42/65/344594265.db2.gz ZTMZRPUKMHUGID-JTQLQIEISA-N 1 0 213.683 3.150 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CC2CCCCC2)o1 ZINC000220879906 134316455 /nfs/dbraw/zinc/31/64/55/134316455.db2.gz OSLMYPHTNHLRHJ-LLVKDONJSA-N 1 0 222.332 3.214 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CC2CCCCC2)o1 ZINC000220879978 134316786 /nfs/dbraw/zinc/31/67/86/134316786.db2.gz OSLMYPHTNHLRHJ-NSHDSACASA-N 1 0 222.332 3.214 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CCCc2ccccc2)o1 ZINC000220882449 134316362 /nfs/dbraw/zinc/31/63/62/134316362.db2.gz KXWSCFZUPBNNOI-CYBMUJFWSA-N 1 0 244.338 3.266 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCCc2ccccc2)o1 ZINC000220882514 134316671 /nfs/dbraw/zinc/31/66/71/134316671.db2.gz KXWSCFZUPBNNOI-ZDUSSCGKSA-N 1 0 244.338 3.266 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C2CCC(C)CC2)o1 ZINC000220884231 134316732 /nfs/dbraw/zinc/31/67/32/134316732.db2.gz PKWKKGHCDKYBNQ-CKBZRRDASA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C2CCC(C)CC2)o1 ZINC000220884283 134316568 /nfs/dbraw/zinc/31/65/68/134316568.db2.gz PKWKKGHCDKYBNQ-ZYXZCXLHSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)c2ccccc2)o1 ZINC000220891363 134313147 /nfs/dbraw/zinc/31/31/47/134313147.db2.gz WXHKVROXLIAZQG-DGCLKSJQSA-N 1 0 244.338 3.437 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H](C)c2ccccc2)o1 ZINC000220891432 134313427 /nfs/dbraw/zinc/31/34/27/134313427.db2.gz WXHKVROXLIAZQG-YPMHNXCESA-N 1 0 244.338 3.437 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C[C@H](C)c2ccccc2)o1 ZINC000220891492 134313215 /nfs/dbraw/zinc/31/32/15/134313215.db2.gz WXHKVROXLIAZQG-WCQYABFASA-N 1 0 244.338 3.437 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@H](C)c2ccccc2)o1 ZINC000220891554 134313244 /nfs/dbraw/zinc/31/32/44/134313244.db2.gz WXHKVROXLIAZQG-AAEUAGOBSA-N 1 0 244.338 3.437 10 0 BGAERO Cc1cnc([C@@H](C)NCc2ccc(F)c(C)c2)o1 ZINC000220900278 134314499 /nfs/dbraw/zinc/31/44/99/134314499.db2.gz JBKNWIBOOBSJFM-LLVKDONJSA-N 1 0 248.301 3.281 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CCCC(C)C)o1 ZINC000220903394 134315024 /nfs/dbraw/zinc/31/50/24/134315024.db2.gz ISLCVZCPDXQEOC-LLVKDONJSA-N 1 0 210.321 3.070 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCCC(C)C)o1 ZINC000220903453 134315327 /nfs/dbraw/zinc/31/53/27/134315327.db2.gz ISLCVZCPDXQEOC-NSHDSACASA-N 1 0 210.321 3.070 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H](C)C2)o1 ZINC000220917948 134315353 /nfs/dbraw/zinc/31/53/53/134315353.db2.gz ZBMCZQIADGOZCS-KGYLQXTDSA-N 1 0 236.359 3.460 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCC[C@@H](C)C2)o1 ZINC000220918080 134315107 /nfs/dbraw/zinc/31/51/07/134315107.db2.gz ZBMCZQIADGOZCS-WXHSDQCUSA-N 1 0 236.359 3.460 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CC2CCC(C)CC2)o1 ZINC000220918157 134315030 /nfs/dbraw/zinc/31/50/30/134315030.db2.gz SZVGSLWILVXGLI-YXMLORGKSA-N 1 0 236.359 3.460 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CC2CCC(C)CC2)o1 ZINC000220918224 134314901 /nfs/dbraw/zinc/31/49/01/134314901.db2.gz SZVGSLWILVXGLI-YDGIUTOCSA-N 1 0 236.359 3.460 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1ncc(C)o1)C(C)C ZINC000220920342 134315342 /nfs/dbraw/zinc/31/53/42/134315342.db2.gz HIWSYGBVOZYBAR-WDEREUQCSA-N 1 0 210.321 3.068 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1ncc(C)o1)C(C)C ZINC000220920407 134315270 /nfs/dbraw/zinc/31/52/70/134315270.db2.gz HIWSYGBVOZYBAR-QWRGUYRKSA-N 1 0 210.321 3.068 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1ncc(C)o1)C(C)C ZINC000220920463 535808928 /nfs/dbraw/zinc/80/89/28/535808928.db2.gz HIWSYGBVOZYBAR-GHMZBOCLSA-N 1 0 210.321 3.068 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)C(C)C ZINC000220920515 134314919 /nfs/dbraw/zinc/31/49/19/134314919.db2.gz HIWSYGBVOZYBAR-MNOVXSKESA-N 1 0 210.321 3.068 10 0 BGAERO CC[NH2+]CCCCCCCCCCC(=O)OC ZINC000220926045 345862300 /nfs/dbraw/zinc/86/23/00/345862300.db2.gz HQMCTSCDJXRLPW-UHFFFAOYSA-N 1 0 243.391 3.280 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CC(C)C)o1 ZINC000220956548 134314978 /nfs/dbraw/zinc/31/49/78/134314978.db2.gz ZIKCTTJCXPLYTI-GXSJLCMTSA-N 1 0 210.321 3.068 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CC(C)C)o1 ZINC000220956603 134314964 /nfs/dbraw/zinc/31/49/64/134314964.db2.gz ZIKCTTJCXPLYTI-ONGXEEELSA-N 1 0 210.321 3.068 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)CC(C)C)o1 ZINC000220956651 134315376 /nfs/dbraw/zinc/31/53/76/134315376.db2.gz ZIKCTTJCXPLYTI-MWLCHTKSSA-N 1 0 210.321 3.068 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CC(C)C)o1 ZINC000220956706 134315272 /nfs/dbraw/zinc/31/52/72/134315272.db2.gz ZIKCTTJCXPLYTI-KOLCDFICSA-N 1 0 210.321 3.068 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCC(C)(C)C2)o1 ZINC000220959159 134315006 /nfs/dbraw/zinc/31/50/06/134315006.db2.gz VNHMHAAQSCOSCN-GHMZBOCLSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC(C)(C)C2)o1 ZINC000220959213 134314911 /nfs/dbraw/zinc/31/49/11/134314911.db2.gz VNHMHAAQSCOSCN-WDEREUQCSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCC(C)(C)C2)o1 ZINC000220959280 134315232 /nfs/dbraw/zinc/31/52/32/134315232.db2.gz VNHMHAAQSCOSCN-MNOVXSKESA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC(C)(C)C2)o1 ZINC000220959343 134314966 /nfs/dbraw/zinc/31/49/66/134314966.db2.gz VNHMHAAQSCOSCN-QWRGUYRKSA-N 1 0 222.332 3.212 10 0 BGAERO CC(C)n1cc(C[NH2+][C@H](C)c2cccs2)cn1 ZINC000221012744 398115295 /nfs/dbraw/zinc/11/52/95/398115295.db2.gz VPONCBQHSSCWBJ-LLVKDONJSA-N 1 0 249.383 3.376 10 0 BGAERO C[C@@H]([NH2+]Cc1cncc(F)c1)c1cccs1 ZINC000221015839 398114952 /nfs/dbraw/zinc/11/49/52/398114952.db2.gz ZGIQOPUPEIOZCF-SECBINFHSA-N 1 0 236.315 3.133 10 0 BGAERO CC(C)CC[NH+](CCC(C)C)CC(C)(C)O ZINC000221041254 322898795 /nfs/dbraw/zinc/89/87/95/322898795.db2.gz ZFFXQVMUIMOPLD-UHFFFAOYSA-N 1 0 229.408 3.152 10 0 BGAERO Cc1ccccc1[C@@H]1C[NH2+]CC12CCCC2 ZINC000221061950 368401831 /nfs/dbraw/zinc/40/18/31/368401831.db2.gz NFTYRZGAEHGZGA-AWEZNQCLSA-N 1 0 215.340 3.242 10 0 BGAERO Cc1ccccc1[C@H]1C[NH2+]CC12CCCC2 ZINC000221062015 368401896 /nfs/dbraw/zinc/40/18/96/368401896.db2.gz NFTYRZGAEHGZGA-CQSZACIVSA-N 1 0 215.340 3.242 10 0 BGAERO Cc1cccc([C@@H]2C[NH2+]CC23CCCC3)c1 ZINC000221062106 350195084 /nfs/dbraw/zinc/19/50/84/350195084.db2.gz GIURJFMYKFDXNT-AWEZNQCLSA-N 1 0 215.340 3.242 10 0 BGAERO Cc1cccc([C@H]2C[NH2+]CC23CCCC3)c1 ZINC000221062178 368401935 /nfs/dbraw/zinc/40/19/35/368401935.db2.gz GIURJFMYKFDXNT-CQSZACIVSA-N 1 0 215.340 3.242 10 0 BGAERO Cc1ccc([C@@H]2C[NH2+]CC23CCCC3)cc1 ZINC000221062261 368401822 /nfs/dbraw/zinc/40/18/22/368401822.db2.gz PNWXNRZPWMZGTC-AWEZNQCLSA-N 1 0 215.340 3.242 10 0 BGAERO Cc1ccc([C@H]2C[NH2+]CC23CCCC3)cc1 ZINC000221062328 368401791 /nfs/dbraw/zinc/40/17/91/368401791.db2.gz PNWXNRZPWMZGTC-CQSZACIVSA-N 1 0 215.340 3.242 10 0 BGAERO CCCC1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000221149569 534927305 /nfs/dbraw/zinc/92/73/05/534927305.db2.gz GDRHDNNDUYXZQQ-NRXISQOPSA-N 1 0 238.419 3.029 10 0 BGAERO CCCC1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000221149614 134316987 /nfs/dbraw/zinc/31/69/87/134316987.db2.gz GDRHDNNDUYXZQQ-YMAMQOFZSA-N 1 0 238.419 3.029 10 0 BGAERO CS[C@@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000221218921 592399990 /nfs/dbraw/zinc/39/99/90/592399990.db2.gz XSNJDRXRNHKELB-ZIAGYGMSSA-N 1 0 235.396 3.103 10 0 BGAERO CS[C@H]1CC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000221218973 583177231 /nfs/dbraw/zinc/17/72/31/583177231.db2.gz XSNJDRXRNHKELB-KGLIPLIRSA-N 1 0 235.396 3.103 10 0 BGAERO CS[C@@H]1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000221219038 585235077 /nfs/dbraw/zinc/23/50/77/585235077.db2.gz XSNJDRXRNHKELB-UONOGXRCSA-N 1 0 235.396 3.103 10 0 BGAERO CS[C@H]1CC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000221219088 585235017 /nfs/dbraw/zinc/23/50/17/585235017.db2.gz XSNJDRXRNHKELB-KBPBESRZSA-N 1 0 235.396 3.103 10 0 BGAERO CCC1(C[NH2+]CCc2ccccc2)CCC1 ZINC000221234474 592400252 /nfs/dbraw/zinc/40/02/52/592400252.db2.gz LBMYRZFTZQMMNO-UHFFFAOYSA-N 1 0 217.356 3.399 10 0 BGAERO C1=C(CC[NH2+]CCc2ccccc2)CCC1 ZINC000221246216 712658765 /nfs/dbraw/zinc/65/87/65/712658765.db2.gz OTTZWEWLFVKWOY-UHFFFAOYSA-N 1 0 215.340 3.319 10 0 BGAERO CC(C)OCCCC[NH2+]CCc1ccccc1 ZINC000221266563 592403042 /nfs/dbraw/zinc/40/30/42/592403042.db2.gz BZSYRWGTXNHFQC-UHFFFAOYSA-N 1 0 235.371 3.024 10 0 BGAERO C[C@@H](C[NH2+]CCc1ccccc1)c1nccs1 ZINC000221272426 592403854 /nfs/dbraw/zinc/40/38/54/592403854.db2.gz RIYNLFGAPRAJAR-LBPRGKRZSA-N 1 0 246.379 3.079 10 0 BGAERO C[C@H](C[NH2+]CCc1ccccc1)c1nccs1 ZINC000221272481 592403952 /nfs/dbraw/zinc/40/39/52/592403952.db2.gz RIYNLFGAPRAJAR-GFCCVEGCSA-N 1 0 246.379 3.079 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(N)cc1 ZINC000221279285 344715841 /nfs/dbraw/zinc/71/58/41/344715841.db2.gz PIIIHXRLLUFXGE-CQSZACIVSA-N 1 0 218.344 3.204 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(N)cc1 ZINC000221279352 344715755 /nfs/dbraw/zinc/71/57/55/344715755.db2.gz PIIIHXRLLUFXGE-AWEZNQCLSA-N 1 0 218.344 3.204 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1cccc(N)c1 ZINC000221279885 344715449 /nfs/dbraw/zinc/71/54/49/344715449.db2.gz PBKHTBKZHQCYRQ-CYBMUJFWSA-N 1 0 218.344 3.204 10 0 BGAERO C[C@H](CC[NH2+][C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000221279947 490216951 /nfs/dbraw/zinc/21/69/51/490216951.db2.gz SJEOUEKRSDHNIS-FVQBIDKESA-N 1 0 247.382 3.073 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H]1c1cccc(N)c1 ZINC000221279957 344715356 /nfs/dbraw/zinc/71/53/56/344715356.db2.gz PBKHTBKZHQCYRQ-ZDUSSCGKSA-N 1 0 218.344 3.204 10 0 BGAERO C[C@H](CC[NH2+][C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000221280071 490217069 /nfs/dbraw/zinc/21/70/69/490217069.db2.gz SJEOUEKRSDHNIS-VNQPRFMTSA-N 1 0 247.382 3.073 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H]1c1cccc(N)c1 ZINC000221280933 344719959 /nfs/dbraw/zinc/71/99/59/344719959.db2.gz FHBFCRZMHZVZDH-CQSZACIVSA-N 1 0 218.344 3.204 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H]1c1cccc(N)c1 ZINC000221280996 344720028 /nfs/dbraw/zinc/72/00/28/344720028.db2.gz FHBFCRZMHZVZDH-AWEZNQCLSA-N 1 0 218.344 3.204 10 0 BGAERO Fc1ccccc1[C@@H]1C[NH2+]CC12CCCC2 ZINC000221359985 360004869 /nfs/dbraw/zinc/00/48/69/360004869.db2.gz SBWNOKWADOPAFN-LBPRGKRZSA-N 1 0 219.303 3.073 10 0 BGAERO Fc1ccccc1[C@H]1C[NH2+]CC12CCCC2 ZINC000221360038 368400938 /nfs/dbraw/zinc/40/09/38/368400938.db2.gz SBWNOKWADOPAFN-GFCCVEGCSA-N 1 0 219.303 3.073 10 0 BGAERO Fc1ccc([C@@H]2C[NH2+]CC23CCCC3)cc1 ZINC000221360115 368401841 /nfs/dbraw/zinc/40/18/41/368401841.db2.gz VCCWVNQKIRKJJB-ZDUSSCGKSA-N 1 0 219.303 3.073 10 0 BGAERO Fc1ccc([C@H]2C[NH2+]CC23CCCC3)cc1 ZINC000221360169 368401089 /nfs/dbraw/zinc/40/10/89/368401089.db2.gz VCCWVNQKIRKJJB-CYBMUJFWSA-N 1 0 219.303 3.073 10 0 BGAERO CO[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000221361632 259372426 /nfs/dbraw/zinc/37/24/26/259372426.db2.gz BCVQRYZITIGYKP-XLWJZTARSA-N 1 0 239.403 3.358 10 0 BGAERO CC1CCC(C[NH2+]CC(C)(C)CCCO)CC1 ZINC000221394737 134323836 /nfs/dbraw/zinc/32/38/36/134323836.db2.gz ZNKJEAXZNVJCMT-UHFFFAOYSA-N 1 0 241.419 3.201 10 0 BGAERO Cc1ccc(C(C)C)c(C[NH2+]C2CC2)c1 ZINC000221405208 343428174 /nfs/dbraw/zinc/42/81/74/343428174.db2.gz HLZWJSLMZYSNQC-UHFFFAOYSA-N 1 0 203.329 3.370 10 0 BGAERO C[C@@H]1CC[C@@H]([NH3+])[C@@H](Cc2ccsc2)C1 ZINC000221510322 345617627 /nfs/dbraw/zinc/61/76/27/345617627.db2.gz WQUKHQNSYXVYGI-YUSALJHKSA-N 1 0 209.358 3.054 10 0 BGAERO C[C@@H]1CC[C@H]([NH3+])[C@@H](Cc2ccsc2)C1 ZINC000221510430 345617757 /nfs/dbraw/zinc/61/77/57/345617757.db2.gz WQUKHQNSYXVYGI-JLLWLGSASA-N 1 0 209.358 3.054 10 0 BGAERO C[NH2+][C@@H](C)Cc1cccc(Cl)c1Cl ZINC000221678857 350217127 /nfs/dbraw/zinc/21/71/27/350217127.db2.gz MHBVWQDLXVYWEY-ZETCQYMHSA-N 1 0 218.127 3.144 10 0 BGAERO C[NH2+][C@H](C)Cc1cccc(Cl)c1Cl ZINC000221678909 346939521 /nfs/dbraw/zinc/93/95/21/346939521.db2.gz MHBVWQDLXVYWEY-SSDOTTSWSA-N 1 0 218.127 3.144 10 0 BGAERO CS[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000221727800 592444558 /nfs/dbraw/zinc/44/45/58/592444558.db2.gz SRWPMJHRUWVCGR-HUUCEWRRSA-N 1 0 249.423 3.493 10 0 BGAERO CC[Si](CC)(CC)N1CCc2cccnc21 ZINC000221776961 487962786 /nfs/dbraw/zinc/96/27/86/487962786.db2.gz XNMXJBBNERTTNG-UHFFFAOYSA-N 1 0 234.419 3.449 10 0 BGAERO C[NH2+][C@H](C)c1cccc(C)c1Br ZINC000221809719 347028822 /nfs/dbraw/zinc/02/88/22/347028822.db2.gz KNLYDBIBLCDHLW-MRVPVSSYSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@@H](C)c1cccc(C)c1Br ZINC000221809781 347028547 /nfs/dbraw/zinc/02/85/47/347028547.db2.gz KNLYDBIBLCDHLW-QMMMGPOBSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@H](C)c1c(C)cccc1Br ZINC000221810071 347028415 /nfs/dbraw/zinc/02/84/15/347028415.db2.gz WYBYUTXSGHCDFH-MRVPVSSYSA-N 1 0 228.133 3.038 10 0 BGAERO C[NH2+][C@@H](C)c1c(C)cccc1Br ZINC000221810122 347028502 /nfs/dbraw/zinc/02/85/02/347028502.db2.gz WYBYUTXSGHCDFH-QMMMGPOBSA-N 1 0 228.133 3.038 10 0 BGAERO [NH3+][C@@H]1CCCc2cc(C(F)(F)F)ccc21 ZINC000221811680 358132085 /nfs/dbraw/zinc/13/20/85/358132085.db2.gz IPWBGIQKDHWQNE-SNVBAGLBSA-N 1 0 215.218 3.042 10 0 BGAERO C[C@H](Cn1cccn1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221839272 134328161 /nfs/dbraw/zinc/32/81/61/134328161.db2.gz BWQQXZXQNNRFHJ-MGPQQGTHSA-N 1 0 249.402 3.076 10 0 BGAERO C[C@H](Cn1cccn1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221839328 134327971 /nfs/dbraw/zinc/32/79/71/134327971.db2.gz BWQQXZXQNNRFHJ-MCIONIFRSA-N 1 0 249.402 3.076 10 0 BGAERO C[C@H](Cn1ccnc1)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221852154 134328602 /nfs/dbraw/zinc/32/86/02/134328602.db2.gz SIFQMFSAPKPPBK-MGPQQGTHSA-N 1 0 249.402 3.076 10 0 BGAERO C[C@H](Cn1ccnc1)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000221852213 134328579 /nfs/dbraw/zinc/32/85/79/134328579.db2.gz SIFQMFSAPKPPBK-MCIONIFRSA-N 1 0 249.402 3.076 10 0 BGAERO [NH3+]C1(c2ccc(Br)cc2Cl)CC1 ZINC000222010790 350228833 /nfs/dbraw/zinc/22/88/33/350228833.db2.gz NDHYCJVIKNXBMK-UHFFFAOYSA-N 1 0 246.535 3.050 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC2(C)C)c1C ZINC000222027769 134329066 /nfs/dbraw/zinc/32/90/66/134329066.db2.gz VWNCEVQOPYUCJY-MFKMUULPSA-N 1 0 249.402 3.217 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC2(C)C)c1C ZINC000222027824 134329269 /nfs/dbraw/zinc/32/92/69/134329269.db2.gz VWNCEVQOPYUCJY-GWCFXTLKSA-N 1 0 249.402 3.217 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC2(C)C)c1C ZINC000222027867 134329486 /nfs/dbraw/zinc/32/94/86/134329486.db2.gz VWNCEVQOPYUCJY-ZWNOBZJWSA-N 1 0 249.402 3.217 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2CC2(C)C)c1C ZINC000222027924 134329081 /nfs/dbraw/zinc/32/90/81/134329081.db2.gz VWNCEVQOPYUCJY-GXFFZTMASA-N 1 0 249.402 3.217 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(Cl)cc1Br ZINC000222032664 350000773 /nfs/dbraw/zinc/00/07/73/350000773.db2.gz GRHBXYQFMMGBKJ-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1ccc(Cl)cc1Br ZINC000222032719 350229473 /nfs/dbraw/zinc/22/94/73/350229473.db2.gz GRHBXYQFMMGBKJ-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@@H](C)c1cc(Cl)ccc1Br ZINC000222032810 350000825 /nfs/dbraw/zinc/00/08/25/350000825.db2.gz UXUTXGSMLYXCAC-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1cc(Cl)ccc1Br ZINC000222032862 350000804 /nfs/dbraw/zinc/00/08/04/350000804.db2.gz UXUTXGSMLYXCAC-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@@H](C)c1c(Cl)cccc1Br ZINC000222033079 350001024 /nfs/dbraw/zinc/00/10/24/350001024.db2.gz ILDBTCRKVWBPKE-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@H](C)c1c(Cl)cccc1Br ZINC000222033133 350229395 /nfs/dbraw/zinc/22/93/95/350229395.db2.gz ILDBTCRKVWBPKE-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO C[C@@H]1Sc2ccc(Cl)cc2[C@@H]([NH3+])[C@@H]1C ZINC000222036540 350000800 /nfs/dbraw/zinc/00/08/00/350000800.db2.gz DRBBDSGAUMMTKZ-BUYFANAVSA-N 1 0 227.760 3.470 10 0 BGAERO C[C@@H]1Sc2c(Cl)cccc2[C@@H]([NH3+])[C@@H]1C ZINC000222037108 350000976 /nfs/dbraw/zinc/00/09/76/350000976.db2.gz QZKGBSXEYUWACM-FWWHASMVSA-N 1 0 227.760 3.470 10 0 BGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000222115795 490489734 /nfs/dbraw/zinc/48/97/34/490489734.db2.gz PEOIKDQCKDBYBN-SYQHCUMBSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CCC(C)(C)C[C@@H]1C ZINC000222118369 349377941 /nfs/dbraw/zinc/37/79/41/349377941.db2.gz ZTIPIDOKVSEXFF-BFHYXJOUSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@H]1CCC(C)(C)C[C@@H]1C ZINC000222118417 349379244 /nfs/dbraw/zinc/37/92/44/349379244.db2.gz ZTIPIDOKVSEXFF-MJBXVCDLSA-N 1 0 241.419 3.198 10 0 BGAERO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCO[C@@H]1C ZINC000222119649 134330046 /nfs/dbraw/zinc/33/00/46/134330046.db2.gz GMUAWKVYPOIQID-YRGRVCCFSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCO[C@@H]1C ZINC000222119713 134330194 /nfs/dbraw/zinc/33/01/94/134330194.db2.gz GMUAWKVYPOIQID-BZPMIXESSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000222152751 259403916 /nfs/dbraw/zinc/40/39/16/259403916.db2.gz LXVYDMRGRZIRCM-WQVCFCJDSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccc(OC)cc21 ZINC000222152859 259403873 /nfs/dbraw/zinc/40/38/73/259403873.db2.gz LXVYDMRGRZIRCM-DAXOMENPSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000222155735 388613412 /nfs/dbraw/zinc/61/34/12/388613412.db2.gz AZXPXIKPQKPHMK-GDPRMGEGSA-N 1 0 224.373 3.291 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000222155840 388614087 /nfs/dbraw/zinc/61/40/87/388614087.db2.gz AZXPXIKPQKPHMK-JMJZKYOTSA-N 1 0 224.373 3.291 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000222155952 583178342 /nfs/dbraw/zinc/17/83/42/583178342.db2.gz DLNQWZABNBDGTN-LNSITVRQSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1ccc2c(c1)CCO2 ZINC000222156061 592467991 /nfs/dbraw/zinc/46/79/91/592467991.db2.gz DLNQWZABNBDGTN-NJZAAPMLSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCc2ccccc2C1 ZINC000222159738 388614056 /nfs/dbraw/zinc/61/40/56/388614056.db2.gz GEVXUUAHLRRTFS-BZUAXINKSA-N 1 0 229.367 3.322 10 0 BGAERO C[C@@H]1C[C@@H](c2cc(Cl)cs2)[C@@H](C)[NH2+]1 ZINC000222233868 350568502 /nfs/dbraw/zinc/56/85/02/350568502.db2.gz CNSBOWMNPNVHMG-ZXFLCMHBSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@H](c2cc(Cl)cs2)[C@@H](C)[NH2+]1 ZINC000222233980 350568618 /nfs/dbraw/zinc/56/86/18/350568618.db2.gz CNSBOWMNPNVHMG-BHNWBGBOSA-N 1 0 215.749 3.255 10 0 BGAERO [NH3+][C@@H]1CCc2c1c(Br)ccc2Cl ZINC000222258841 398123105 /nfs/dbraw/zinc/12/31/05/398123105.db2.gz ASBHCOTWROHLPI-MRVPVSSYSA-N 1 0 246.535 3.049 10 0 BGAERO [NH3+][C@H]1CCc2c1c(Br)ccc2Cl ZINC000222258898 350766538 /nfs/dbraw/zinc/76/65/38/350766538.db2.gz ASBHCOTWROHLPI-QMMMGPOBSA-N 1 0 246.535 3.049 10 0 BGAERO C[C@H]1[NH2+]CC(C)(C)c2c3cc(F)ccc3[nH]c21 ZINC000222434563 368361470 /nfs/dbraw/zinc/36/14/70/368361470.db2.gz QGQUKSNCIQOJTA-MRVPVSSYSA-N 1 0 232.302 3.249 10 0 BGAERO C[C@@H]1[NH2+]CC(C)(C)c2c3cc(F)ccc3[nH]c21 ZINC000222434617 368360782 /nfs/dbraw/zinc/36/07/82/368360782.db2.gz QGQUKSNCIQOJTA-QMMMGPOBSA-N 1 0 232.302 3.249 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000222444676 259328034 /nfs/dbraw/zinc/32/80/34/259328034.db2.gz RKKUMNIBNFYGNT-KYXWUPHJSA-N 1 0 221.266 3.106 10 0 BGAERO C[C@@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1cn[nH]c1 ZINC000222477819 134332169 /nfs/dbraw/zinc/33/21/69/134332169.db2.gz IKCZMYYHKPHYGV-NQBHXWOUSA-N 1 0 235.375 3.275 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)c1cn[nH]c1 ZINC000222477875 134332039 /nfs/dbraw/zinc/33/20/39/134332039.db2.gz IKCZMYYHKPHYGV-NTZNESFSSA-N 1 0 235.375 3.275 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1cn[nH]c1 ZINC000222477936 134332037 /nfs/dbraw/zinc/33/20/37/134332037.db2.gz IKCZMYYHKPHYGV-WZRBSPASSA-N 1 0 235.375 3.275 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)c1cn[nH]c1 ZINC000222478004 134331982 /nfs/dbraw/zinc/33/19/82/134331982.db2.gz IKCZMYYHKPHYGV-MDZLAQPJSA-N 1 0 235.375 3.275 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1c1cccc(Cl)c1 ZINC000222593815 344438128 /nfs/dbraw/zinc/43/81/28/344438128.db2.gz RLKNOXQOYVOKON-GFCCVEGCSA-N 1 0 209.720 3.497 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1cccc(Cl)c1 ZINC000222593877 350993921 /nfs/dbraw/zinc/99/39/21/350993921.db2.gz RLKNOXQOYVOKON-LBPRGKRZSA-N 1 0 209.720 3.497 10 0 BGAERO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](CO)CC(C)C ZINC000222605466 322938937 /nfs/dbraw/zinc/93/89/37/322938937.db2.gz ZLPMQQVPCGSVDX-BFHYXJOUSA-N 1 0 229.408 3.198 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](CO)CC(C)C ZINC000222605583 388640774 /nfs/dbraw/zinc/64/07/74/388640774.db2.gz ZLPMQQVPCGSVDX-MJBXVCDLSA-N 1 0 229.408 3.198 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)c1 ZINC000222644834 490653245 /nfs/dbraw/zinc/65/32/45/490653245.db2.gz JOBNGYZNWLQULS-NUEKZKHPSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)c1 ZINC000222644962 490653307 /nfs/dbraw/zinc/65/33/07/490653307.db2.gz JOBNGYZNWLQULS-CWRNSKLLSA-N 1 0 247.382 3.258 10 0 BGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000222648898 490653042 /nfs/dbraw/zinc/65/30/42/490653042.db2.gz PGAYCNWQWOPTBS-KBXIAJHMSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)CC(CC(C)C)[NH2+]C[C@@H]1CCCN1C ZINC000222698269 388642325 /nfs/dbraw/zinc/64/23/25/388642325.db2.gz HPGAZUIXFAQVHN-HNNXBMFYSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)CC(CC(C)C)[NH2+]C[C@H]1CCCN1C ZINC000222698336 259329020 /nfs/dbraw/zinc/32/90/20/259329020.db2.gz HPGAZUIXFAQVHN-OAHLLOKOSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)(C)[NH+]1CCC(c2ccc(N)cc2)CC1 ZINC000222883499 350254702 /nfs/dbraw/zinc/25/47/02/350254702.db2.gz PYXKCGPJIRHXSO-UHFFFAOYSA-N 1 0 232.371 3.247 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cccc(N)c2)C1 ZINC000222884828 351143034 /nfs/dbraw/zinc/14/30/34/351143034.db2.gz GEWTXAHEZCSJOB-ZDUSSCGKSA-N 1 0 232.371 3.247 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cccc(N)c2)C1 ZINC000222884898 351143384 /nfs/dbraw/zinc/14/33/84/351143384.db2.gz GEWTXAHEZCSJOB-CYBMUJFWSA-N 1 0 232.371 3.247 10 0 BGAERO CC(C)(C)[NH+]1CCC(c2cccc(N)c2)CC1 ZINC000222885266 351143163 /nfs/dbraw/zinc/14/31/63/351143163.db2.gz GZJMWOWJUNRWQS-UHFFFAOYSA-N 1 0 232.371 3.247 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@@H]1CCOC1 ZINC000222919630 134336204 /nfs/dbraw/zinc/33/62/04/134336204.db2.gz IXUHKAGRJADYON-SYQHCUMBSA-N 1 0 239.403 3.216 10 0 BGAERO c1c2ccccc2sc1C[C@@H]1CCC[NH2+]C1 ZINC000222930850 348228250 /nfs/dbraw/zinc/22/82/50/348228250.db2.gz UWPDSEAYXXQMDL-NSHDSACASA-N 1 0 231.364 3.443 10 0 BGAERO CC(C)[C@@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC000222961641 188180487 /nfs/dbraw/zinc/18/04/87/188180487.db2.gz MQDUPCIBBMELAI-KGLIPLIRSA-N 1 0 203.329 3.178 10 0 BGAERO CC(C)[C@H]1C[C@H](c2ccccc2)CC[NH2+]1 ZINC000222961709 411322482 /nfs/dbraw/zinc/32/24/82/411322482.db2.gz MQDUPCIBBMELAI-ZIAGYGMSSA-N 1 0 203.329 3.178 10 0 BGAERO CC(C)[C@@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC000222961774 411322313 /nfs/dbraw/zinc/32/23/13/411322313.db2.gz MQDUPCIBBMELAI-KBPBESRZSA-N 1 0 203.329 3.178 10 0 BGAERO CC(C)[C@H]1C[C@@H](c2ccccc2)CC[NH2+]1 ZINC000222961823 411321938 /nfs/dbraw/zinc/32/19/38/411321938.db2.gz MQDUPCIBBMELAI-UONOGXRCSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@@H]1C ZINC000223069983 388648083 /nfs/dbraw/zinc/64/80/83/388648083.db2.gz KSMIQNBLPOTSGS-OPQQBVKSSA-N 1 0 223.747 3.269 10 0 BGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@@H]1C ZINC000223070040 388648187 /nfs/dbraw/zinc/64/81/87/388648187.db2.gz KSMIQNBLPOTSGS-CWSCBRNRSA-N 1 0 223.747 3.269 10 0 BGAERO CC[C@@H](C)C[N@H+](CC)C[C@@](C)(O)c1ccccc1 ZINC000223332658 583180381 /nfs/dbraw/zinc/18/03/81/583180381.db2.gz MISNNZAJOGRBEA-GDBMZVCRSA-N 1 0 249.398 3.262 10 0 BGAERO CC[C@H](C)C[N@H+](CC)C[C@@](C)(O)c1ccccc1 ZINC000223332714 583180254 /nfs/dbraw/zinc/18/02/54/583180254.db2.gz MISNNZAJOGRBEA-GOEBONIOSA-N 1 0 249.398 3.262 10 0 BGAERO CCC1=C(C)CC[N@H+](C)[C@@H]1Cc1ccc(O)cc1 ZINC000223388848 358224544 /nfs/dbraw/zinc/22/45/44/358224544.db2.gz AVPSZKRPSKRBKI-MRXNPFEDSA-N 1 0 245.366 3.365 10 0 BGAERO CCC1=C(C)CC[N@H+](C)[C@H]1Cc1ccc(O)cc1 ZINC000223388904 368364579 /nfs/dbraw/zinc/36/45/79/368364579.db2.gz AVPSZKRPSKRBKI-INIZCTEOSA-N 1 0 245.366 3.365 10 0 BGAERO CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000223486637 490151379 /nfs/dbraw/zinc/15/13/79/490151379.db2.gz ZUXKEQAWBIWYBV-BYNSBNAKSA-N 1 0 241.419 3.198 10 0 BGAERO CCC[C@H](C)[C@@H](CC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000223534331 259566536 /nfs/dbraw/zinc/56/65/36/259566536.db2.gz FGWDEHHYKNEFGT-YNEHKIRRSA-N 1 0 229.408 3.198 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+]C[C@@H](O)C(C)(C)C ZINC000223534461 259566589 /nfs/dbraw/zinc/56/65/89/259566589.db2.gz FGWDEHHYKNEFGT-RWMBFGLXSA-N 1 0 229.408 3.198 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccno2)c(C)c1 ZINC000223643090 387936241 /nfs/dbraw/zinc/93/62/41/387936241.db2.gz RRQPEOLXYZMEHF-GFCCVEGCSA-N 1 0 230.311 3.142 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccno2)c(C)c1 ZINC000223643136 387936649 /nfs/dbraw/zinc/93/66/49/387936649.db2.gz RRQPEOLXYZMEHF-LBPRGKRZSA-N 1 0 230.311 3.142 10 0 BGAERO Cc1cnc(CN[C@@H](C)c2ccc(C)cc2C)o1 ZINC000223643222 386092555 /nfs/dbraw/zinc/09/25/55/386092555.db2.gz BDRYKARTJJCEQL-ZDUSSCGKSA-N 1 0 244.338 3.451 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccno2)cc1C ZINC000223649622 386092698 /nfs/dbraw/zinc/09/26/98/386092698.db2.gz YAKJFQJZIIZIFX-GFCCVEGCSA-N 1 0 230.311 3.142 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccno2)cc1C ZINC000223649685 386092726 /nfs/dbraw/zinc/09/27/26/386092726.db2.gz YAKJFQJZIIZIFX-LBPRGKRZSA-N 1 0 230.311 3.142 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1c2ccccc2CC[C@@H]1C ZINC000223746925 491138957 /nfs/dbraw/zinc/13/89/57/491138957.db2.gz ZLYNVZLQEZLTCT-JLUCKKNBSA-N 1 0 215.340 3.308 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccc(O)c(F)c2)o1 ZINC000223775016 592543532 /nfs/dbraw/zinc/54/35/32/592543532.db2.gz CHNNBPOQONUVBL-SNVBAGLBSA-N 1 0 249.285 3.284 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccc(O)c(F)c2)o1 ZINC000223775064 592543657 /nfs/dbraw/zinc/54/36/57/592543657.db2.gz CHNNBPOQONUVBL-JTQLQIEISA-N 1 0 249.285 3.284 10 0 BGAERO CC[C@H](CSC)[NH2+][C@@H]1CC[C@@H](CC)C1 ZINC000223826391 536127240 /nfs/dbraw/zinc/12/72/40/536127240.db2.gz KHZWYMCAAUWTIS-IJLUTSLNSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@H](CSC)[NH2+][C@H]1CC[C@@H](CC)C1 ZINC000223826461 536126603 /nfs/dbraw/zinc/12/66/03/536126603.db2.gz KHZWYMCAAUWTIS-UTUOFQBUSA-N 1 0 215.406 3.296 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000223860974 179338236 /nfs/dbraw/zinc/33/82/36/179338236.db2.gz KHDXNCSVKSXGKA-SQWLQELKSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000223861076 179339096 /nfs/dbraw/zinc/33/90/96/179339096.db2.gz KHDXNCSVKSXGKA-LZWOXQAQSA-N 1 0 247.382 3.197 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000223861311 259339772 /nfs/dbraw/zinc/33/97/72/259339772.db2.gz PMLJKAINEJSZPC-LJISPDSOSA-N 1 0 241.419 3.342 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000223869455 583181877 /nfs/dbraw/zinc/18/18/77/583181877.db2.gz ZPJOADKIBMGIAW-RRFJBIMHSA-N 1 0 241.419 3.486 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000223869569 583181681 /nfs/dbraw/zinc/18/16/81/583181681.db2.gz ZPJOADKIBMGIAW-ZNMIVQPWSA-N 1 0 241.419 3.486 10 0 BGAERO O=C1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000223903169 357153804 /nfs/dbraw/zinc/15/38/04/357153804.db2.gz NBWXAPMCRAMPOI-CABCVRRESA-N 1 0 243.350 3.020 10 0 BGAERO O=C1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000223903226 357153894 /nfs/dbraw/zinc/15/38/94/357153894.db2.gz NBWXAPMCRAMPOI-HUUCEWRRSA-N 1 0 243.350 3.020 10 0 BGAERO CC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000224017173 388660366 /nfs/dbraw/zinc/66/03/66/388660366.db2.gz XYWRHEOIOJDMDS-GBJTYRQASA-N 1 0 241.419 3.198 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000224046279 487819606 /nfs/dbraw/zinc/81/96/06/487819606.db2.gz PQYHACCHUMGXKI-FVQBIDKESA-N 1 0 247.382 3.278 10 0 BGAERO CC[C@@H]([NH2+]C[C@H]1CCC[C@@H](O)C1)c1ccccc1 ZINC000224046393 487819659 /nfs/dbraw/zinc/81/96/59/487819659.db2.gz PQYHACCHUMGXKI-NUEKZKHPSA-N 1 0 247.382 3.278 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000224066787 487820810 /nfs/dbraw/zinc/82/08/10/487820810.db2.gz WXYRKZRUIDCHDH-RBSFLKMASA-N 1 0 247.382 3.197 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000224066889 487820678 /nfs/dbraw/zinc/82/06/78/487820678.db2.gz WXYRKZRUIDCHDH-QLFBSQMISA-N 1 0 247.382 3.197 10 0 BGAERO CS[C@@H]1CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000224259299 344880435 /nfs/dbraw/zinc/88/04/35/344880435.db2.gz IDKUBVVBJQNJNN-NWDGAFQWSA-N 1 0 213.390 3.193 10 0 BGAERO CS[C@H]1CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000224259347 344880236 /nfs/dbraw/zinc/88/02/36/344880236.db2.gz IDKUBVVBJQNJNN-RYUDHWBXSA-N 1 0 213.390 3.193 10 0 BGAERO CS[C@@H]1CCC[C@H]1[NH2+]C1CCCCC1 ZINC000224259397 344880005 /nfs/dbraw/zinc/88/00/05/344880005.db2.gz IDKUBVVBJQNJNN-VXGBXAGGSA-N 1 0 213.390 3.193 10 0 BGAERO CS[C@H]1CCC[C@H]1[NH2+]C1CCCCC1 ZINC000224259438 344879950 /nfs/dbraw/zinc/87/99/50/344879950.db2.gz IDKUBVVBJQNJNN-NEPJUHHUSA-N 1 0 213.390 3.193 10 0 BGAERO Cc1ccccc1[C@@H]1C[C@@H]([NH3+])Cc2ccccc21 ZINC000224299920 368366194 /nfs/dbraw/zinc/36/61/94/368366194.db2.gz JVGJFCRGDCCZPQ-YOEHRIQHSA-N 1 0 237.346 3.400 10 0 BGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1ccccc1C ZINC000224421043 640618369 /nfs/dbraw/zinc/61/83/69/640618369.db2.gz DBUBANSAJXDTJT-AEGPPILISA-N 1 0 233.355 3.213 10 0 BGAERO Fc1cc(OCC2CC2)ccc1C1CC[NH2+]CC1 ZINC000224558012 368366620 /nfs/dbraw/zinc/36/66/20/368366620.db2.gz MZTYQNQRWCTRJW-UHFFFAOYSA-N 1 0 249.329 3.082 10 0 BGAERO CCCOc1ccc(C2CC[NH2+]CC2)c(C)c1 ZINC000224562278 368365962 /nfs/dbraw/zinc/36/59/62/368365962.db2.gz CQBWLCJXXXZJPI-UHFFFAOYSA-N 1 0 233.355 3.251 10 0 BGAERO CCC[C@@H](CC)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000224584956 388667171 /nfs/dbraw/zinc/66/71/71/388667171.db2.gz HMWMTJOMDROZFZ-CVEARBPZSA-N 1 0 248.414 3.458 10 0 BGAERO CCC[C@H](CC)[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000224585004 388667106 /nfs/dbraw/zinc/66/71/06/388667106.db2.gz HMWMTJOMDROZFZ-HOTGVXAUSA-N 1 0 248.414 3.458 10 0 BGAERO CCC[C@@H](CC)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000224585050 259352476 /nfs/dbraw/zinc/35/24/76/259352476.db2.gz HMWMTJOMDROZFZ-HZPDHXFCSA-N 1 0 248.414 3.458 10 0 BGAERO CCC[C@H](CC)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000224585094 388667660 /nfs/dbraw/zinc/66/76/60/388667660.db2.gz HMWMTJOMDROZFZ-JKSUJKDBSA-N 1 0 248.414 3.458 10 0 BGAERO CC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000224592998 388666872 /nfs/dbraw/zinc/66/68/72/388666872.db2.gz NBQGSCFJFRWKHY-BYNSBNAKSA-N 1 0 241.419 3.198 10 0 BGAERO [NH3+]Cc1c(Cl)cc(Cl)cc1C(F)(F)F ZINC000224616303 348259086 /nfs/dbraw/zinc/25/90/86/348259086.db2.gz WGKLOQLMHWEISI-UHFFFAOYSA-N 1 0 244.043 3.471 10 0 BGAERO C=Cc1cc(Cl)cc(Cl)c1C[NH3+] ZINC000224623220 348259333 /nfs/dbraw/zinc/25/93/33/348259333.db2.gz LJCWDBOQZQKUHR-UHFFFAOYSA-N 1 0 202.084 3.095 10 0 BGAERO CCc1cc(Cl)cc(Cl)c1C[NH3+] ZINC000224627607 348259433 /nfs/dbraw/zinc/25/94/33/348259433.db2.gz MAZXZNBJSFOCQS-UHFFFAOYSA-N 1 0 204.100 3.015 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@@H](OCC)C12CCC2 ZINC000224738120 134350095 /nfs/dbraw/zinc/35/00/95/134350095.db2.gz QVFXHGAIKKYHDI-XJFOESAGSA-N 1 0 237.387 3.112 10 0 BGAERO [NH3+]C1(c2ccc(-c3ccc(F)cc3)cc2)CC1 ZINC000224764030 368368316 /nfs/dbraw/zinc/36/83/16/368368316.db2.gz OKZUWJPTRFNFJZ-UHFFFAOYSA-N 1 0 227.282 3.441 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCCCCCO)CC(C)(C)C1 ZINC000224783355 640643140 /nfs/dbraw/zinc/64/31/40/640643140.db2.gz RTVLWBRJEMGHEW-ZIAGYGMSSA-N 1 0 241.419 3.344 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCCCCCO)CC(C)(C)C1 ZINC000224783402 640643030 /nfs/dbraw/zinc/64/30/30/640643030.db2.gz RTVLWBRJEMGHEW-UONOGXRCSA-N 1 0 241.419 3.344 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCCCCCO)CC(C)(C)C1 ZINC000224783452 640642285 /nfs/dbraw/zinc/64/22/85/640642285.db2.gz RTVLWBRJEMGHEW-KGLIPLIRSA-N 1 0 241.419 3.344 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCCCCCO)CC(C)(C)C1 ZINC000224783499 640642959 /nfs/dbraw/zinc/64/29/59/640642959.db2.gz RTVLWBRJEMGHEW-KBPBESRZSA-N 1 0 241.419 3.344 10 0 BGAERO CC[C@H]([NH2+]C1C[C@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000224792528 358236954 /nfs/dbraw/zinc/23/69/54/358236954.db2.gz VDWKDBLDNJPKIX-GVXVVHGQSA-N 1 0 227.392 3.357 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)CO ZINC000224994603 491161689 /nfs/dbraw/zinc/16/16/89/491161689.db2.gz XSHGWTHZNHGMDB-RDBSUJKOSA-N 1 0 241.419 3.055 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1cscc1Br ZINC000225011000 345068790 /nfs/dbraw/zinc/06/87/90/345068790.db2.gz PIGUGUOPKFMGOD-QIOHGKGESA-N 1 0 246.173 3.166 10 0 BGAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1cscc1Br ZINC000225011077 345069077 /nfs/dbraw/zinc/06/90/77/345069077.db2.gz PIGUGUOPKFMGOD-HCVRKRLWSA-N 1 0 246.173 3.166 10 0 BGAERO CC[C@@H]1[C@H]([NH3+])C[C@@H]1c1ccc(Cl)s1 ZINC000225054344 368140749 /nfs/dbraw/zinc/14/07/49/368140749.db2.gz QZXYBRDRTXUPER-BIIVOSGPSA-N 1 0 215.749 3.242 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000225107881 350350196 /nfs/dbraw/zinc/35/01/96/350350196.db2.gz GKNJKHATDJXOEK-XXILOJSOSA-N 1 0 209.720 3.051 10 0 BGAERO C[NH2+][C@@H]1C[C@H](c2ccc(Cl)cc2)[C@@H]1C ZINC000225107920 368141059 /nfs/dbraw/zinc/14/10/59/368141059.db2.gz GKNJKHATDJXOEK-KPXOXKRLSA-N 1 0 209.720 3.051 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)s2)[C@@H]1C ZINC000225110800 350350303 /nfs/dbraw/zinc/35/03/03/350350303.db2.gz YEAZAAGGZSRDSM-XLPZGREQSA-N 1 0 215.749 3.113 10 0 BGAERO C[NH2+][C@@H]1C[C@H](c2ccc(Cl)s2)[C@@H]1C ZINC000225110842 350350451 /nfs/dbraw/zinc/35/04/51/350350451.db2.gz YEAZAAGGZSRDSM-BIIVOSGPSA-N 1 0 215.749 3.113 10 0 BGAERO CO[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000225169734 369054970 /nfs/dbraw/zinc/05/49/70/369054970.db2.gz NIEUBHHTNMTRFM-CQSZACIVSA-N 1 0 219.328 3.035 10 0 BGAERO CO[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC000225169771 369054862 /nfs/dbraw/zinc/05/48/62/369054862.db2.gz NIEUBHHTNMTRFM-AWEZNQCLSA-N 1 0 219.328 3.035 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000225292378 259359299 /nfs/dbraw/zinc/35/92/99/259359299.db2.gz YKFPCLRQAUWHCN-AMIZOPFISA-N 1 0 243.272 3.382 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225362038 134354793 /nfs/dbraw/zinc/35/47/93/134354793.db2.gz DRWYLTHYAAFHAN-SFYZADRCSA-N 1 0 230.764 3.075 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225362071 134354940 /nfs/dbraw/zinc/35/49/40/134354940.db2.gz DRWYLTHYAAFHAN-YUMQZZPRSA-N 1 0 230.764 3.075 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225362107 535494952 /nfs/dbraw/zinc/49/49/52/535494952.db2.gz DRWYLTHYAAFHAN-HTQZYQBOSA-N 1 0 230.764 3.075 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ncc(Cl)s1 ZINC000225362141 134355113 /nfs/dbraw/zinc/35/51/13/134355113.db2.gz DRWYLTHYAAFHAN-JGVFFNPUSA-N 1 0 230.764 3.075 10 0 BGAERO CC[C@H]1CCC[C@@H]1[NH2+][C@H](C)c1ccccn1 ZINC000225393263 171625618 /nfs/dbraw/zinc/62/56/18/171625618.db2.gz PFNKOELXWPCNEL-DYEKYZERSA-N 1 0 218.344 3.311 10 0 BGAERO CC[C@H]1CCC[C@H]1[NH2+][C@H](C)c1ccccn1 ZINC000225393345 188181011 /nfs/dbraw/zinc/18/10/11/188181011.db2.gz PFNKOELXWPCNEL-MBNYWOFBSA-N 1 0 218.344 3.311 10 0 BGAERO CC1=[N+](O)C(C)(C)CC(C)(C)c2ccccc21 ZINC000225401574 398309056 /nfs/dbraw/zinc/30/90/56/398309056.db2.gz SFCCSSFVVNVPQB-UHFFFAOYSA-N 1 0 232.347 3.357 10 0 BGAERO CC1=[N+](O)C(C)(C)C[C@@H](C)c2ccccc21 ZINC000225405245 370549520 /nfs/dbraw/zinc/54/95/20/370549520.db2.gz MIDYKJVBONRAKI-SNVBAGLBSA-N 1 0 218.320 3.183 10 0 BGAERO CC1=[N+](O)C(C)(C)C[C@H](C)c2ccccc21 ZINC000225405286 370549382 /nfs/dbraw/zinc/54/93/82/370549382.db2.gz MIDYKJVBONRAKI-JTQLQIEISA-N 1 0 218.320 3.183 10 0 BGAERO CC[C@](F)(C[NH3+])[C@@H]1CC[C@@H](C)[C@@H](C)C1 ZINC000225713058 371568660 /nfs/dbraw/zinc/56/86/60/371568660.db2.gz GNHRCGIIRTUYPW-KXNHARMFSA-N 1 0 201.329 3.136 10 0 BGAERO CCOC(=N)Cc1ccc2cc(O)ccc2c1 ZINC000225717467 358332304 /nfs/dbraw/zinc/33/23/04/358332304.db2.gz PNCGKZJXOJFOCW-UHFFFAOYSA-N 1 0 229.279 3.102 10 0 BGAERO Clc1cccc(C[C@@H]2C[NH2+]C[C@@H]2C2CC2)c1 ZINC000225836465 368368360 /nfs/dbraw/zinc/36/83/60/368368360.db2.gz YOAJKOJXFJFMLX-TZMCWYRMSA-N 1 0 235.758 3.128 10 0 BGAERO Clc1cccc(C[C@H]2C[NH2+]C[C@@H]2C2CC2)c1 ZINC000225836482 368368117 /nfs/dbraw/zinc/36/81/17/368368117.db2.gz YOAJKOJXFJFMLX-GXTWGEPZSA-N 1 0 235.758 3.128 10 0 BGAERO Clc1cccc(C[C@@H]2C[NH2+]C[C@H]2C2CC2)c1 ZINC000225836501 368367948 /nfs/dbraw/zinc/36/79/48/368367948.db2.gz YOAJKOJXFJFMLX-OCCSQVGLSA-N 1 0 235.758 3.128 10 0 BGAERO Clc1cccc(C[C@H]2C[NH2+]C[C@H]2C2CC2)c1 ZINC000225836522 368367751 /nfs/dbraw/zinc/36/77/51/368367751.db2.gz YOAJKOJXFJFMLX-JSGCOSHPSA-N 1 0 235.758 3.128 10 0 BGAERO CC[C@@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000226035950 711757182 /nfs/dbraw/zinc/75/71/82/711757182.db2.gz HJBVIBGXOPMWAE-GDBMZVCRSA-N 1 0 247.382 3.016 10 0 BGAERO CC[C@H]1CCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000226035962 640725527 /nfs/dbraw/zinc/72/55/27/640725527.db2.gz HJBVIBGXOPMWAE-GOEBONIOSA-N 1 0 247.382 3.016 10 0 BGAERO C[NH+]1CCC(c2cc3c(nccc3Cl)[nH]2)CC1 ZINC000226060483 368368299 /nfs/dbraw/zinc/36/82/99/368368299.db2.gz WLGCLVPREUMQME-UHFFFAOYSA-N 1 0 249.745 3.026 10 0 BGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@@H]1C ZINC000226129202 134359489 /nfs/dbraw/zinc/35/94/89/134359489.db2.gz DOSLCLNNXUGYOJ-DJLDLDEBSA-N 1 0 209.255 3.106 10 0 BGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@@H]1C ZINC000226129212 134359641 /nfs/dbraw/zinc/35/96/41/134359641.db2.gz DOSLCLNNXUGYOJ-YIZRAAEISA-N 1 0 209.255 3.106 10 0 BGAERO CC(C)n1cc(C[NH2+][C@@H](C)c2cccs2)cn1 ZINC000226238348 386239415 /nfs/dbraw/zinc/23/94/15/386239415.db2.gz VPONCBQHSSCWBJ-NSHDSACASA-N 1 0 249.383 3.376 10 0 BGAERO CNc1ccc(N2CCCC[C@H]2C)c(C)c1 ZINC000226275538 388714147 /nfs/dbraw/zinc/71/41/47/388714147.db2.gz ALAYPWDKBQKDRY-GFCCVEGCSA-N 1 0 218.344 3.416 10 0 BGAERO CC(C)(C)[C@@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226287609 487706492 /nfs/dbraw/zinc/70/64/92/487706492.db2.gz JKAHGCSJMKFABA-MGPQQGTHSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)(C)[C@H]1CCC[N@@H+]([C@@H]2CCC[C@H]2O)CC1 ZINC000226287614 487706664 /nfs/dbraw/zinc/70/66/64/487706664.db2.gz JKAHGCSJMKFABA-BFHYXJOUSA-N 1 0 239.403 3.048 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1ccc(Br)s1 ZINC000226402673 356473461 /nfs/dbraw/zinc/47/34/61/356473461.db2.gz YAHPVZGOIXFGFY-QIOHGKGESA-N 1 0 246.173 3.166 10 0 BGAERO Cc1cscc1C[NH2+][C@@H]1CCS[C@@H]1C ZINC000226403509 350427629 /nfs/dbraw/zinc/42/76/29/350427629.db2.gz BQLKJBCCVPURPS-MWLCHTKSSA-N 1 0 227.398 3.040 10 0 BGAERO Cc1cscc1C[NH2+][C@H]1CCS[C@@H]1C ZINC000226403513 371661902 /nfs/dbraw/zinc/66/19/02/371661902.db2.gz BQLKJBCCVPURPS-KOLCDFICSA-N 1 0 227.398 3.040 10 0 BGAERO Cc1cscc1C[NH2+][C@@H]1CCS[C@H]1C ZINC000226403516 371662153 /nfs/dbraw/zinc/66/21/53/371662153.db2.gz BQLKJBCCVPURPS-GXSJLCMTSA-N 1 0 227.398 3.040 10 0 BGAERO Cc1cscc1C[NH2+][C@H]1CCS[C@H]1C ZINC000226403520 371662047 /nfs/dbraw/zinc/66/20/47/371662047.db2.gz BQLKJBCCVPURPS-ONGXEEELSA-N 1 0 227.398 3.040 10 0 BGAERO CC(C)([NH3+])CC(=O)c1cc(Cl)ccc1Cl ZINC000226503322 364227975 /nfs/dbraw/zinc/22/79/75/364227975.db2.gz BXLNDUAIUWUABE-UHFFFAOYSA-N 1 0 246.137 3.304 10 0 BGAERO CC(C)([NH3+])CC(=O)c1ccc(Cl)c(Cl)c1 ZINC000226504184 371681127 /nfs/dbraw/zinc/68/11/27/371681127.db2.gz DDIJVKNVFWEXKR-UHFFFAOYSA-N 1 0 246.137 3.304 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1sccc1Br ZINC000226513282 371685093 /nfs/dbraw/zinc/68/50/93/371685093.db2.gz CEHKHZVLYUFWDE-GKROBHDKSA-N 1 0 246.173 3.166 10 0 BGAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1sccc1Br ZINC000226513293 371685539 /nfs/dbraw/zinc/68/55/39/371685539.db2.gz CEHKHZVLYUFWDE-ATRFCDNQSA-N 1 0 246.173 3.166 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000226515628 487754181 /nfs/dbraw/zinc/75/41/81/487754181.db2.gz XOAQIGAALQPUQJ-LXTVHRRPSA-N 1 0 239.403 3.238 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC1 ZINC000226515652 487753730 /nfs/dbraw/zinc/75/37/30/487753730.db2.gz DSNCZMNJVUPMMN-BFHYXJOUSA-N 1 0 239.403 3.238 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000226515665 487754039 /nfs/dbraw/zinc/75/40/39/487754039.db2.gz DSNCZMNJVUPMMN-MELADBBJSA-N 1 0 239.403 3.238 10 0 BGAERO Cc1cc(C(F)(F)F)ccc1C(C)(C)[NH3+] ZINC000226516723 358340801 /nfs/dbraw/zinc/34/08/01/358340801.db2.gz ZHJMRXXHDRBYRE-UHFFFAOYSA-N 1 0 217.234 3.208 10 0 BGAERO Cc1c(Cl)cccc1[C@@H]([NH3+])C1CCC1 ZINC000226549986 371694794 /nfs/dbraw/zinc/69/47/94/371694794.db2.gz YVHKXWNUYQTQRP-LBPRGKRZSA-N 1 0 209.720 3.448 10 0 BGAERO Cc1c(Cl)cccc1[C@H]([NH3+])C1CCC1 ZINC000226549994 371695672 /nfs/dbraw/zinc/69/56/72/371695672.db2.gz YVHKXWNUYQTQRP-GFCCVEGCSA-N 1 0 209.720 3.448 10 0 BGAERO C[C@@H]1CC[C@@]([NH3+])(c2ccsc2)[C@@H](C)C1 ZINC000226579823 371699781 /nfs/dbraw/zinc/69/97/81/371699781.db2.gz JUJVIUPWALMASX-SCVCMEIPSA-N 1 0 209.358 3.358 10 0 BGAERO C[C@@H]1CC[C@]([NH3+])(c2ccsc2)[C@@H](C)C1 ZINC000226579832 371700238 /nfs/dbraw/zinc/70/02/38/371700238.db2.gz JUJVIUPWALMASX-JFGNBEQYSA-N 1 0 209.358 3.358 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000226579973 387949676 /nfs/dbraw/zinc/94/96/76/387949676.db2.gz UQADNIMTBDRZGL-HEHGZKQESA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000226579986 387950140 /nfs/dbraw/zinc/95/01/40/387950140.db2.gz UQADNIMTBDRZGL-XEZPLFJOSA-N 1 0 247.382 3.467 10 0 BGAERO C[NH2+][C@@H]1CC[C@@H](c2csc(C)c2)[C@@H]1C ZINC000226582226 371701967 /nfs/dbraw/zinc/70/19/67/371701967.db2.gz LYQSZWMPXSAJQT-MVWJERBFSA-N 1 0 209.358 3.158 10 0 BGAERO C[NH2+][C@@H]1CC[C@H](c2csc(C)c2)[C@@H]1C ZINC000226582235 371702434 /nfs/dbraw/zinc/70/24/34/371702434.db2.gz LYQSZWMPXSAJQT-ZMLRMANQSA-N 1 0 209.358 3.158 10 0 BGAERO C[C@@H]1CC[C@H](C)[C@@]2(C1)[NH2+][C@@H](C)CCS2 ZINC000226583715 342842508 /nfs/dbraw/zinc/84/25/08/342842508.db2.gz ASNQUBWBPANCAB-RHYQMDGZSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@H]1CCS[C@@]2(CCC[C@@H](C)CC2)[NH2+]1 ZINC000226583990 342842058 /nfs/dbraw/zinc/84/20/58/342842058.db2.gz STVGSNGRAZDWCZ-GRYCIOLGSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@H]1CCS[C@]2(CCC[C@@H](C)CC2)[NH2+]1 ZINC000226583995 342842049 /nfs/dbraw/zinc/84/20/49/342842049.db2.gz STVGSNGRAZDWCZ-WOPDTQHZSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+][C@@H](C)CCS2 ZINC000226585297 371702062 /nfs/dbraw/zinc/70/20/62/371702062.db2.gz SWPDKAGPNJFVNE-MXWKQRLJSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000226586455 388724062 /nfs/dbraw/zinc/72/40/62/388724062.db2.gz JEYWRCYTHTYVNF-YJNKXOJESA-N 1 0 241.419 3.198 10 0 BGAERO C[C@@H]1C[NH2+]C2(C[C@H](C)C[C@@H](C)C2)SC1 ZINC000226587207 342842488 /nfs/dbraw/zinc/84/24/88/342842488.db2.gz YVUSYRVJAPHJFM-GMTAPVOTSA-N 1 0 213.390 3.111 10 0 BGAERO CC[C@@H]1CS[C@]2(CC[C@@H](C)[C@@H](C)C2)[NH2+]1 ZINC000226588627 342843455 /nfs/dbraw/zinc/84/34/55/342843455.db2.gz FXLQYYKARKQLQS-KXNHARMFSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CSC2(C[C@H](C)C[C@@H](C)C2)[NH2+]1 ZINC000226588953 342843540 /nfs/dbraw/zinc/84/35/40/342843540.db2.gz IIQWFZWKEPCTES-GMTAPVOTSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CCCC[C@@]12[NH2+]C[C@@H](C)CS2 ZINC000226589013 342843586 /nfs/dbraw/zinc/84/35/86/342843586.db2.gz HFIJNEORLCUUQS-UTUOFQBUSA-N 1 0 213.390 3.255 10 0 BGAERO CC[C@@H]1CCCC[C@]12[NH2+]C[C@@H](C)CS2 ZINC000226589027 350441201 /nfs/dbraw/zinc/44/12/01/350441201.db2.gz HFIJNEORLCUUQS-IJLUTSLNSA-N 1 0 213.390 3.255 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC000226592171 259615059 /nfs/dbraw/zinc/61/50/59/259615059.db2.gz KOCZMJSWDIOUKU-HZSPNIEDSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCO[C@@H](C(C)C)C1)C(C)C ZINC000226592180 388724135 /nfs/dbraw/zinc/72/41/35/388724135.db2.gz KOCZMJSWDIOUKU-MELADBBJSA-N 1 0 227.392 3.214 10 0 BGAERO Cc1cc([C@@H](C)[NH2+][C@@H]2CCO[C@@H](C)C2)c(C)o1 ZINC000226593733 323152451 /nfs/dbraw/zinc/15/24/51/323152451.db2.gz WQHXOKAVMLCHOD-UFGOTCBOSA-N 1 0 237.343 3.115 10 0 BGAERO Cc1cc([C@@H](C)[NH2+][C@H]2CCO[C@@H](C)C2)c(C)o1 ZINC000226593741 323152447 /nfs/dbraw/zinc/15/24/47/323152447.db2.gz WQHXOKAVMLCHOD-NDMJEZRESA-N 1 0 237.343 3.115 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000226619756 323169717 /nfs/dbraw/zinc/16/97/17/323169717.db2.gz SIHYYUKWVOYAAJ-OSMZGAPFSA-N 1 0 236.334 3.450 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](CC)c1ccc(F)cn1 ZINC000226619768 388723659 /nfs/dbraw/zinc/72/36/59/388723659.db2.gz SIHYYUKWVOYAAJ-SCDSUCTJSA-N 1 0 236.334 3.450 10 0 BGAERO CC(=O)[C@@H]1CCC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000226629552 640783154 /nfs/dbraw/zinc/78/31/54/640783154.db2.gz TYGPCPQRHWODLU-SWLSCSKDSA-N 1 0 231.339 3.049 10 0 BGAERO Cc1cc([C@@H]([NH3+])C2CC2)sc1Cl ZINC000226664133 344073132 /nfs/dbraw/zinc/07/31/32/344073132.db2.gz FDLPZIUYVALHHE-QMMMGPOBSA-N 1 0 201.722 3.120 10 0 BGAERO Cc1cc([C@H]([NH3+])C2CC2)sc1Cl ZINC000226664139 344072756 /nfs/dbraw/zinc/07/27/56/344072756.db2.gz FDLPZIUYVALHHE-MRVPVSSYSA-N 1 0 201.722 3.120 10 0 BGAERO Cc1cc([C@H]([NH3+])[C@@H]2C[C@@H]2C)sc1Cl ZINC000226664671 344073097 /nfs/dbraw/zinc/07/30/97/344073097.db2.gz OGWRJOZBVLGVPS-MTQIGAJGSA-N 1 0 215.749 3.366 10 0 BGAERO Cc1cc([C@H]([NH3+])[C@H]2C[C@@H]2C)sc1Cl ZINC000226664686 344072885 /nfs/dbraw/zinc/07/28/85/344072885.db2.gz OGWRJOZBVLGVPS-XWDQLLGVSA-N 1 0 215.749 3.366 10 0 BGAERO Cc1cc([C@@H]([NH3+])C(C)C)sc1Cl ZINC000226664721 344073597 /nfs/dbraw/zinc/07/35/97/344073597.db2.gz OVCVXOAJQBPJIN-QMMMGPOBSA-N 1 0 203.738 3.366 10 0 BGAERO Cc1cc([C@H]([NH3+])C(C)C)sc1Cl ZINC000226664725 344073563 /nfs/dbraw/zinc/07/35/63/344073563.db2.gz OVCVXOAJQBPJIN-MRVPVSSYSA-N 1 0 203.738 3.366 10 0 BGAERO C[C@@H]1CCC[C@@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000226694008 176133073 /nfs/dbraw/zinc/13/30/73/176133073.db2.gz HXSXPSIWDVBOAR-MNOVXSKESA-N 1 0 249.358 3.091 10 0 BGAERO C[C@H]1CCC[C@@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000226694012 177127540 /nfs/dbraw/zinc/12/75/40/177127540.db2.gz HXSXPSIWDVBOAR-QWRGUYRKSA-N 1 0 249.358 3.091 10 0 BGAERO C[C@@H]1CCC[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000226694017 176151411 /nfs/dbraw/zinc/15/14/11/176151411.db2.gz HXSXPSIWDVBOAR-GHMZBOCLSA-N 1 0 249.358 3.091 10 0 BGAERO C[C@H]1CCC[C@H]1c1nc(C2([NH3+])CCCCC2)no1 ZINC000226694024 177143075 /nfs/dbraw/zinc/14/30/75/177143075.db2.gz HXSXPSIWDVBOAR-WDEREUQCSA-N 1 0 249.358 3.091 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1sccc1Cl ZINC000226718185 350450055 /nfs/dbraw/zinc/45/00/55/350450055.db2.gz CVADWNGNOTZZTI-GKROBHDKSA-N 1 0 201.722 3.057 10 0 BGAERO Cc1ccc2nc(-c3cc[n+](C)cc3)sc2c1 ZINC000226773226 385051120 /nfs/dbraw/zinc/05/11/20/385051120.db2.gz VJPCWYKWBMWNTA-UHFFFAOYSA-N 1 0 241.339 3.096 10 0 BGAERO Cc1ccc2nc(-c3ccc[n+](C)c3)sc2c1 ZINC000226773292 188331150 /nfs/dbraw/zinc/33/11/50/188331150.db2.gz IEVIBOSOURGUGF-UHFFFAOYSA-N 1 0 241.339 3.096 10 0 BGAERO CCC[n+]1ccc(-c2nc3ccccc3o2)cc1 ZINC000226773876 385052727 /nfs/dbraw/zinc/05/27/27/385052727.db2.gz OZFVTRPJBNXHFD-UHFFFAOYSA-N 1 0 239.298 3.192 10 0 BGAERO CC[n+]1ccc(-c2nc3ccc(C)cc3o2)cc1 ZINC000226773949 385051532 /nfs/dbraw/zinc/05/15/32/385051532.db2.gz XJSCCUHAIVGNQT-UHFFFAOYSA-N 1 0 239.298 3.111 10 0 BGAERO CCC[n+]1cccc(-c2nc3ccccc3o2)c1 ZINC000226774518 188155261 /nfs/dbraw/zinc/15/52/61/188155261.db2.gz UOHJPYJBJCOINZ-UHFFFAOYSA-N 1 0 239.298 3.192 10 0 BGAERO CC[n+]1cccc(-c2nc3cc(C)ccc3o2)c1 ZINC000226774530 385053097 /nfs/dbraw/zinc/05/30/97/385053097.db2.gz IYFIHCNZOHHRGQ-UHFFFAOYSA-N 1 0 239.298 3.111 10 0 BGAERO CC[n+]1cccc(-c2nc3ccc(C)cc3o2)c1 ZINC000226774683 188331162 /nfs/dbraw/zinc/33/11/62/188331162.db2.gz OFCFHHOBYPSTHS-UHFFFAOYSA-N 1 0 239.298 3.111 10 0 BGAERO CC[n+]1ccc(-c2nc3ccccc3s2)cc1 ZINC000226774944 187297833 /nfs/dbraw/zinc/29/78/33/187297833.db2.gz OQCNFEPCGZZGQO-UHFFFAOYSA-N 1 0 241.339 3.271 10 0 BGAERO CC[n+]1ccc(-c2nc3cc(C)ccc3o2)cc1 ZINC000226774961 385053251 /nfs/dbraw/zinc/05/32/51/385053251.db2.gz PIBGONHSPIDOME-UHFFFAOYSA-N 1 0 239.298 3.111 10 0 BGAERO Cc1cccc2sc(-c3cc[n+](C)cc3)nc21 ZINC000226776439 179234759 /nfs/dbraw/zinc/23/47/59/179234759.db2.gz NHMCNAKRSTYNOY-UHFFFAOYSA-N 1 0 241.339 3.096 10 0 BGAERO Cc1cccc2sc(-c3ccc[n+](C)c3)nc21 ZINC000226776649 179234504 /nfs/dbraw/zinc/23/45/04/179234504.db2.gz UORUKFCFXMGUEQ-UHFFFAOYSA-N 1 0 241.339 3.096 10 0 BGAERO [NH3+]C1(C(=O)c2ccc(Cl)c(Cl)c2)CCC1 ZINC000226780675 371743206 /nfs/dbraw/zinc/74/32/06/371743206.db2.gz TZVHKSMHGXAFHU-UHFFFAOYSA-N 1 0 244.121 3.058 10 0 BGAERO CC(C)(C[NH3+])C(=O)c1cccc(Cl)c1Cl ZINC000226788617 371744692 /nfs/dbraw/zinc/74/46/92/371744692.db2.gz TYUZHKGFCHRKGA-UHFFFAOYSA-N 1 0 246.137 3.161 10 0 BGAERO CC(C)(C[NH3+])C(=O)c1cc(Cl)ccc1Cl ZINC000226788977 371744814 /nfs/dbraw/zinc/74/48/14/371744814.db2.gz MKQPMZZURJOIQE-UHFFFAOYSA-N 1 0 246.137 3.161 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCc2cccnc21)c1cccs1 ZINC000226802397 640798132 /nfs/dbraw/zinc/79/81/32/640798132.db2.gz OJYVDGUHUIPSGN-ZYHUDNBSSA-N 1 0 244.363 3.481 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCc2cccnc21)c1cccs1 ZINC000226802407 635441321 /nfs/dbraw/zinc/44/13/21/635441321.db2.gz OJYVDGUHUIPSGN-CMPLNLGQSA-N 1 0 244.363 3.481 10 0 BGAERO C[C@@H]([NH2+][C@H]1CCc2cccnc21)c1cccs1 ZINC000226802415 635439575 /nfs/dbraw/zinc/43/95/75/635439575.db2.gz OJYVDGUHUIPSGN-PWSUYJOCSA-N 1 0 244.363 3.481 10 0 BGAERO C[C@H]([NH2+][C@H]1CCc2cccnc21)c1cccs1 ZINC000226802426 640798224 /nfs/dbraw/zinc/79/82/24/640798224.db2.gz OJYVDGUHUIPSGN-JQWIXIFHSA-N 1 0 244.363 3.481 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000226806234 388730859 /nfs/dbraw/zinc/73/08/59/388730859.db2.gz XUKOSSHDJMKHTP-MGPQQGTHSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000226806240 388730549 /nfs/dbraw/zinc/73/05/49/388730549.db2.gz XUKOSSHDJMKHTP-HZSPNIEDSA-N 1 0 241.419 3.198 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@@H](CO)CC(C)C ZINC000226806290 388730596 /nfs/dbraw/zinc/73/05/96/388730596.db2.gz YWVFCHMRCLOKJH-BFHYXJOUSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](CO)CC(C)C ZINC000226806302 388731179 /nfs/dbraw/zinc/73/11/79/388731179.db2.gz YWVFCHMRCLOKJH-MELADBBJSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCc2cccnc21)C(C)C ZINC000226816933 640793970 /nfs/dbraw/zinc/79/39/70/640793970.db2.gz XRVCXXGWCIVNKP-CHWSQXEVSA-N 1 0 218.344 3.093 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCc2cccnc21)C(C)C ZINC000226816939 640793954 /nfs/dbraw/zinc/79/39/54/640793954.db2.gz XRVCXXGWCIVNKP-QWHCGFSZSA-N 1 0 218.344 3.093 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCc2cccnc21)C(C)C ZINC000226816947 640793412 /nfs/dbraw/zinc/79/34/12/640793412.db2.gz XRVCXXGWCIVNKP-OLZOCXBDSA-N 1 0 218.344 3.093 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCc2cccnc21)C(C)C ZINC000226816955 640794630 /nfs/dbraw/zinc/79/46/30/640794630.db2.gz XRVCXXGWCIVNKP-STQMWFEESA-N 1 0 218.344 3.093 10 0 BGAERO CCC[N@@H+]1CC[C@@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226858301 534948730 /nfs/dbraw/zinc/94/87/30/534948730.db2.gz SRJXJVBGJDAJST-DZGCQCFKSA-N 1 0 232.371 3.219 10 0 BGAERO CCC[N@@H+]1CC[C@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226858311 534957175 /nfs/dbraw/zinc/95/71/75/534957175.db2.gz SRJXJVBGJDAJST-ZFWWWQNUSA-N 1 0 232.371 3.219 10 0 BGAERO CC(C)C[N@@H+]1CC[C@@H](Nc2ccccc2)[C@@H](C)C1 ZINC000226859331 535133264 /nfs/dbraw/zinc/13/32/64/535133264.db2.gz HFSCZSXDEVDNRM-GOEBONIOSA-N 1 0 246.398 3.465 10 0 BGAERO O[C@@H]1CCC[C@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226900833 491052664 /nfs/dbraw/zinc/05/26/64/491052664.db2.gz KMMHPRXEKIPUBT-ARFHVFGLSA-N 1 0 245.366 3.031 10 0 BGAERO O[C@@H]1CCC[C@@H]([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000226900838 491052661 /nfs/dbraw/zinc/05/26/61/491052661.db2.gz KMMHPRXEKIPUBT-BZUAXINKSA-N 1 0 245.366 3.031 10 0 BGAERO CC[NH2+][C@]1(C(F)F)CC[C@@H](C)[C@@H](C)C1 ZINC000227031334 371772604 /nfs/dbraw/zinc/77/26/04/371772604.db2.gz UNEYZSBVHXNHRY-WCABBAIRSA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@]1(C(F)F)CC[C@H](C)[C@@H](C)C1 ZINC000227031353 371772578 /nfs/dbraw/zinc/77/25/78/371772578.db2.gz UNEYZSBVHXNHRY-ATZCPNFKSA-N 1 0 205.292 3.056 10 0 BGAERO C[C@@H]1C[C@H](c2ccc(Cl)s2)[C@@H](C)[NH2+]1 ZINC000227094033 371783672 /nfs/dbraw/zinc/78/36/72/371783672.db2.gz DTYOAOPKEIMNAK-PRJMDXOYSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@@H](c2ccc(Cl)s2)[C@@H](C)[NH2+]1 ZINC000227094047 350481296 /nfs/dbraw/zinc/48/12/96/350481296.db2.gz DTYOAOPKEIMNAK-BWZBUEFSSA-N 1 0 215.749 3.255 10 0 BGAERO [NH3+][C@@H]1CCc2cc(OCc3ccccc3)ccc21 ZINC000227104053 371785785 /nfs/dbraw/zinc/78/57/85/371785785.db2.gz YNXNRJICWYXAMJ-MRXNPFEDSA-N 1 0 239.318 3.212 10 0 BGAERO [NH3+][C@H]1CCc2cc(OCc3ccccc3)ccc21 ZINC000227104063 371785131 /nfs/dbraw/zinc/78/51/31/371785131.db2.gz YNXNRJICWYXAMJ-INIZCTEOSA-N 1 0 239.318 3.212 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CC1(C)COC1 ZINC000227274269 388747164 /nfs/dbraw/zinc/74/71/64/388747164.db2.gz SAMABGGNHNMBJJ-RDBSUJKOSA-N 1 0 239.403 3.073 10 0 BGAERO CC1CCC(C[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000227339188 134378299 /nfs/dbraw/zinc/37/82/99/134378299.db2.gz LHSFXLHTVXVDNO-NRXISQOPSA-N 1 0 239.403 3.362 10 0 BGAERO CC1CCC(C[NH2+]CC[C@H]2CCCCO2)CC1 ZINC000227339195 134378292 /nfs/dbraw/zinc/37/82/92/134378292.db2.gz LHSFXLHTVXVDNO-YMAMQOFZSA-N 1 0 239.403 3.362 10 0 BGAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)CCO ZINC000227368129 388748697 /nfs/dbraw/zinc/74/86/97/388748697.db2.gz CCZKXVADWPIVIB-GBJTYRQASA-N 1 0 241.419 3.055 10 0 BGAERO Cc1ccc([C@@H]2C[C@H](C)CC[C@H]2[NH3+])s1 ZINC000227373758 350494876 /nfs/dbraw/zinc/49/48/76/350494876.db2.gz VSZMHHGNHUYXCQ-FBIMIBRVSA-N 1 0 209.358 3.287 10 0 BGAERO Cc1ccc([C@@H]2C[C@@H](C)CC[C@H]2[NH3+])s1 ZINC000227373766 371849388 /nfs/dbraw/zinc/84/93/88/371849388.db2.gz VSZMHHGNHUYXCQ-JMJZKYOTSA-N 1 0 209.358 3.287 10 0 BGAERO C[C@H]([NH3+])c1cnc([C@@H]2CC[C@@H](C)C2)s1 ZINC000227419442 371858748 /nfs/dbraw/zinc/85/87/48/371858748.db2.gz JFJYZCAJCMNJLA-HRDYMLBCSA-N 1 0 210.346 3.066 10 0 BGAERO C[C@H]([NH3+])c1cnc([C@H]2CC[C@@H](C)C2)s1 ZINC000227419445 371859074 /nfs/dbraw/zinc/85/90/74/371859074.db2.gz JFJYZCAJCMNJLA-VGMNWLOBSA-N 1 0 210.346 3.066 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCCO2)CC(C)(C)C1 ZINC000227472833 134384290 /nfs/dbraw/zinc/38/42/90/134384290.db2.gz JBOXHONTZCPXDD-VNHYZAJKSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCCO2)CC(C)(C)C1 ZINC000227472844 134384472 /nfs/dbraw/zinc/38/44/72/134384472.db2.gz JBOXHONTZCPXDD-UMVBOHGHSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@H](N)[C@@H]1CCCC[N@@H+]1CC1CCC(C)CC1 ZINC000227485396 134384283 /nfs/dbraw/zinc/38/42/83/134384283.db2.gz DOTFAKYXKRBAQR-SHWKFHJASA-N 1 0 238.419 3.014 10 0 BGAERO C[C@H](N)[C@H]1CCCC[N@@H+]1CC1CCC(C)CC1 ZINC000227485409 134383738 /nfs/dbraw/zinc/38/37/38/134383738.db2.gz DOTFAKYXKRBAQR-OOJKYFRXSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1c1ccc(Cl)s1 ZINC000227514777 371877886 /nfs/dbraw/zinc/87/78/86/371877886.db2.gz OIECFQRUCPOWSY-BIIVOSGPSA-N 1 0 215.749 3.242 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000227555395 134383367 /nfs/dbraw/zinc/38/33/67/134383367.db2.gz RUZTZDHWFNRWNR-KOLCDFICSA-N 1 0 210.321 3.070 10 0 BGAERO CCC[C@H](C)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000227555400 134383530 /nfs/dbraw/zinc/38/35/30/134383530.db2.gz RUZTZDHWFNRWNR-ONGXEEELSA-N 1 0 210.321 3.070 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000227555403 134383513 /nfs/dbraw/zinc/38/35/13/134383513.db2.gz RUZTZDHWFNRWNR-MWLCHTKSSA-N 1 0 210.321 3.070 10 0 BGAERO CCC[C@H](C)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000227555404 134383312 /nfs/dbraw/zinc/38/33/12/134383312.db2.gz RUZTZDHWFNRWNR-GXSJLCMTSA-N 1 0 210.321 3.070 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC000227555597 134383240 /nfs/dbraw/zinc/38/32/40/134383240.db2.gz SILAGCWXQGFXTF-QJPTWQEYSA-N 1 0 222.332 3.212 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ncc(C)o2)C1 ZINC000227555610 134383233 /nfs/dbraw/zinc/38/32/33/134383233.db2.gz SILAGCWXQGFXTF-TUAOUCFPSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@@H](C)C2)o1 ZINC000227556592 134383506 /nfs/dbraw/zinc/38/35/06/134383506.db2.gz PRZKJKQWUADPJZ-ADEWGFFLSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@@H](C)C2)o1 ZINC000227556600 134383038 /nfs/dbraw/zinc/38/30/38/134383038.db2.gz PRZKJKQWUADPJZ-USWWRNFRSA-N 1 0 222.332 3.212 10 0 BGAERO CCC[C@@H]1[NH2+][C@H](C)CCS[C@@H]1CC ZINC000227556733 350500754 /nfs/dbraw/zinc/50/07/54/350500754.db2.gz GWTJDHORGLHUDW-OUAUKWLOSA-N 1 0 201.379 3.049 10 0 BGAERO CC[C@H](CCO)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227559835 388754131 /nfs/dbraw/zinc/75/41/31/388754131.db2.gz ORQGUBPWKJPXNZ-MGPQQGTHSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](CCO)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000227559844 388753079 /nfs/dbraw/zinc/75/30/79/388753079.db2.gz ORQGUBPWKJPXNZ-MCIONIFRSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2CC[C@@H](CCO)C2)cc1 ZINC000227571156 134383033 /nfs/dbraw/zinc/38/30/33/134383033.db2.gz DKHZRGLCPQHKDD-HNNXBMFYSA-N 1 0 247.382 3.014 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2CC[C@H](CCO)C2)cc1 ZINC000227571161 134383119 /nfs/dbraw/zinc/38/31/19/134383119.db2.gz DKHZRGLCPQHKDD-OAHLLOKOSA-N 1 0 247.382 3.014 10 0 BGAERO CCC[C@@H]1[NH2+]CC[C@H](C)S[C@@H]1CC ZINC000227576989 350501867 /nfs/dbraw/zinc/50/18/67/350501867.db2.gz FMGUJDYKQMLLIO-GARJFASQSA-N 1 0 201.379 3.049 10 0 BGAERO CCSc1cc(Br)cc(C[NH3+])c1 ZINC000227639969 344699226 /nfs/dbraw/zinc/69/92/26/344699226.db2.gz MYCLPQULBJZERM-UHFFFAOYSA-N 1 0 246.173 3.020 10 0 BGAERO C[C@@H]1CCC[C@@H](SC[C@H]2CCC[NH2+]2)C1 ZINC000227652359 345261682 /nfs/dbraw/zinc/26/16/82/345261682.db2.gz DOWIVYMVPZSTER-IJLUTSLNSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CCC[C@@H](SC[C@H]2CCC[NH2+]2)C1 ZINC000227652364 344727213 /nfs/dbraw/zinc/72/72/13/344727213.db2.gz DOWIVYMVPZSTER-QJPTWQEYSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@@H]1CCC[C@H](SC[C@H]2CCC[NH2+]2)C1 ZINC000227652370 344726769 /nfs/dbraw/zinc/72/67/69/344726769.db2.gz DOWIVYMVPZSTER-UTUOFQBUSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CCC[C@H](SC[C@H]2CCC[NH2+]2)C1 ZINC000227652373 344726877 /nfs/dbraw/zinc/72/68/77/344726877.db2.gz DOWIVYMVPZSTER-TUAOUCFPSA-N 1 0 213.390 3.050 10 0 BGAERO CNc1cc(Sc2cccs2)ccn1 ZINC000227673178 371920243 /nfs/dbraw/zinc/92/02/43/371920243.db2.gz REBLRYZYNDNNNI-UHFFFAOYSA-N 1 0 222.338 3.336 10 0 BGAERO CCNc1cc(SC(C)(C)C)ccn1 ZINC000227673284 371919606 /nfs/dbraw/zinc/91/96/06/371919606.db2.gz MAAJSFIIZCFYSV-UHFFFAOYSA-N 1 0 210.346 3.404 10 0 BGAERO Nc1cc(SC2CCCCC2)ccn1 ZINC000227673823 371920620 /nfs/dbraw/zinc/92/06/20/371920620.db2.gz ACIUGSUZZWYZCR-UHFFFAOYSA-N 1 0 208.330 3.089 10 0 BGAERO CNc1cc(SC2CCCC2)ccn1 ZINC000227674483 371920259 /nfs/dbraw/zinc/92/02/59/371920259.db2.gz OFSCNBSGQPWWRU-UHFFFAOYSA-N 1 0 208.330 3.158 10 0 BGAERO CC[C@@H]([NH3+])c1cc(Br)c(C)s1 ZINC000227713818 371925775 /nfs/dbraw/zinc/92/57/75/371925775.db2.gz SUPXWKLDMISULH-SSDOTTSWSA-N 1 0 234.162 3.229 10 0 BGAERO CC[C@H]([NH3+])c1cc(Br)c(C)s1 ZINC000227713822 371925632 /nfs/dbraw/zinc/92/56/32/371925632.db2.gz SUPXWKLDMISULH-ZETCQYMHSA-N 1 0 234.162 3.229 10 0 BGAERO Cc1sc([C@@H]([NH3+])C2CC2)cc1Br ZINC000227715416 371925717 /nfs/dbraw/zinc/92/57/17/371925717.db2.gz VQELABJINIXTSN-VIFPVBQESA-N 1 0 246.173 3.229 10 0 BGAERO Cc1sc([C@H]([NH3+])C2CC2)cc1Br ZINC000227715422 371925336 /nfs/dbraw/zinc/92/53/36/371925336.db2.gz VQELABJINIXTSN-SECBINFHSA-N 1 0 246.173 3.229 10 0 BGAERO Cc1sc([C@@H]([NH3+])C(C)C)cc1Br ZINC000227715534 371925403 /nfs/dbraw/zinc/92/54/03/371925403.db2.gz OUJPLEDIBRLLOA-VIFPVBQESA-N 1 0 248.189 3.475 10 0 BGAERO Cc1sc([C@H]([NH3+])C(C)C)cc1Br ZINC000227715540 371925703 /nfs/dbraw/zinc/92/57/03/371925703.db2.gz OUJPLEDIBRLLOA-SECBINFHSA-N 1 0 248.189 3.475 10 0 BGAERO C[NH2+][C@@H](C)c1cc(Br)c(C)s1 ZINC000227719016 371925442 /nfs/dbraw/zinc/92/54/42/371925442.db2.gz DOPFQVIBOWYSLP-YFKPBYRVSA-N 1 0 234.162 3.099 10 0 BGAERO C[NH2+][C@H](C)c1cc(Br)c(C)s1 ZINC000227719021 371925647 /nfs/dbraw/zinc/92/56/47/371925647.db2.gz DOPFQVIBOWYSLP-RXMQYKEDSA-N 1 0 234.162 3.099 10 0 BGAERO Cc1sccc1C1([NH3+])CCC(C)CC1 ZINC000227767871 371932986 /nfs/dbraw/zinc/93/29/86/371932986.db2.gz YHVOECBNYVXLSM-UHFFFAOYSA-N 1 0 209.358 3.421 10 0 BGAERO Cc1sccc1[C@@]1([NH3+])CCCC[C@@H]1C ZINC000227768153 371933020 /nfs/dbraw/zinc/93/30/20/371933020.db2.gz XLBMMWPKBGLXNX-JOYOIKCWSA-N 1 0 209.358 3.421 10 0 BGAERO Cc1sccc1[C@]1([NH3+])CCCC[C@@H]1C ZINC000227768159 371933045 /nfs/dbraw/zinc/93/30/45/371933045.db2.gz XLBMMWPKBGLXNX-CABZTGNLSA-N 1 0 209.358 3.421 10 0 BGAERO Cc1sccc1[C@@]1([NH3+])CCCC[C@H]1C ZINC000227768166 371932984 /nfs/dbraw/zinc/93/29/84/371932984.db2.gz XLBMMWPKBGLXNX-BXKDBHETSA-N 1 0 209.358 3.421 10 0 BGAERO Cc1sccc1[C@]1([NH3+])CCCC[C@H]1C ZINC000227768172 371933083 /nfs/dbraw/zinc/93/30/83/371933083.db2.gz XLBMMWPKBGLXNX-SKDRFNHKSA-N 1 0 209.358 3.421 10 0 BGAERO CC[C@@H]1CC[C@@]([NH3+])(c2ccsc2C)C1 ZINC000227769332 371933821 /nfs/dbraw/zinc/93/38/21/371933821.db2.gz ONXKKYAULMOWLQ-PWSUYJOCSA-N 1 0 209.358 3.421 10 0 BGAERO CC[C@H]1CC[C@@]([NH3+])(c2ccsc2C)C1 ZINC000227769338 371933517 /nfs/dbraw/zinc/93/35/17/371933517.db2.gz ONXKKYAULMOWLQ-JQWIXIFHSA-N 1 0 209.358 3.421 10 0 BGAERO CC[C@@H]1CC[C@]([NH3+])(c2ccsc2C)C1 ZINC000227769344 371933686 /nfs/dbraw/zinc/93/36/86/371933686.db2.gz ONXKKYAULMOWLQ-ZYHUDNBSSA-N 1 0 209.358 3.421 10 0 BGAERO CC[C@H]1CC[C@]([NH3+])(c2ccsc2C)C1 ZINC000227769350 371934138 /nfs/dbraw/zinc/93/41/38/371934138.db2.gz ONXKKYAULMOWLQ-CMPLNLGQSA-N 1 0 209.358 3.421 10 0 BGAERO Cc1sccc1[C@@]1([NH3+])CCCC1(C)C ZINC000227770088 371933219 /nfs/dbraw/zinc/93/32/19/371933219.db2.gz DFWHVCVAHGYSHM-LBPRGKRZSA-N 1 0 209.358 3.421 10 0 BGAERO Cc1sccc1[C@]1([NH3+])CCCC1(C)C ZINC000227770095 345899159 /nfs/dbraw/zinc/89/91/59/345899159.db2.gz DFWHVCVAHGYSHM-GFCCVEGCSA-N 1 0 209.358 3.421 10 0 BGAERO Cc1sccc1[C@@H]([NH3+])c1ccsc1 ZINC000227782885 346281200 /nfs/dbraw/zinc/28/12/00/346281200.db2.gz HVUCYTHUMDBHLQ-JTQLQIEISA-N 1 0 209.339 3.166 10 0 BGAERO Cc1sccc1[C@H]([NH3+])c1ccsc1 ZINC000227782889 346281128 /nfs/dbraw/zinc/28/11/28/346281128.db2.gz HVUCYTHUMDBHLQ-SNVBAGLBSA-N 1 0 209.339 3.166 10 0 BGAERO C[NH2+][C@@H](c1ccsc1)c1ccsc1C ZINC000227783755 346286941 /nfs/dbraw/zinc/28/69/41/346286941.db2.gz AUOCBRLAEGWKKD-NSHDSACASA-N 1 0 223.366 3.427 10 0 BGAERO C[NH2+][C@H](c1ccsc1)c1ccsc1C ZINC000227783762 346286949 /nfs/dbraw/zinc/28/69/49/346286949.db2.gz AUOCBRLAEGWKKD-LLVKDONJSA-N 1 0 223.366 3.427 10 0 BGAERO Cc1sccc1[C@@H]([NH3+])Cc1cccs1 ZINC000227787119 346298833 /nfs/dbraw/zinc/29/88/33/346298833.db2.gz OTLGOPTWRLFQRE-NSHDSACASA-N 1 0 223.366 3.361 10 0 BGAERO Cc1sccc1[C@H]([NH3+])Cc1cccs1 ZINC000227787124 346298770 /nfs/dbraw/zinc/29/87/70/346298770.db2.gz OTLGOPTWRLFQRE-LLVKDONJSA-N 1 0 223.366 3.361 10 0 BGAERO Cc1sccc1[C@@]1(C2CC2)CCC[NH2+]1 ZINC000227795064 371939974 /nfs/dbraw/zinc/93/99/74/371939974.db2.gz BCJJVNKSUDRFPI-LBPRGKRZSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1sccc1[C@]1(C2CC2)CCC[NH2+]1 ZINC000227795068 371939746 /nfs/dbraw/zinc/93/97/46/371939746.db2.gz BCJJVNKSUDRFPI-GFCCVEGCSA-N 1 0 207.342 3.045 10 0 BGAERO Cc1occc1[C@@H]([NH3+])c1ccsc1C ZINC000227803848 371941380 /nfs/dbraw/zinc/94/13/80/371941380.db2.gz CMLQZEDCDMCBRT-LLVKDONJSA-N 1 0 207.298 3.006 10 0 BGAERO Cc1occc1[C@H]([NH3+])c1ccsc1C ZINC000227803853 371941965 /nfs/dbraw/zinc/94/19/65/371941965.db2.gz CMLQZEDCDMCBRT-NSHDSACASA-N 1 0 207.298 3.006 10 0 BGAERO Cc1sccc1-c1ccc(C[NH3+])s1 ZINC000227808776 371941455 /nfs/dbraw/zinc/94/14/55/371941455.db2.gz RUMYQRSHXNIEKV-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO Cc1sccc1-c1ccsc1C[NH3+] ZINC000227808959 345275460 /nfs/dbraw/zinc/27/54/60/345275460.db2.gz ZDSHBCPGISCYSM-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO Cc1sccc1-c1csc(C[NH3+])c1 ZINC000227809012 345275142 /nfs/dbraw/zinc/27/51/42/345275142.db2.gz MXINIALEUXZCND-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000227834688 134389854 /nfs/dbraw/zinc/38/98/54/134389854.db2.gz GPPOLOJURMHHJC-GHMZBOCLSA-N 1 0 224.323 3.450 10 0 BGAERO CCCC[C@H](C)[NH2+][C@H](C)c1cncc(F)c1 ZINC000227834689 134390280 /nfs/dbraw/zinc/39/02/80/134390280.db2.gz GPPOLOJURMHHJC-WDEREUQCSA-N 1 0 224.323 3.450 10 0 BGAERO CC[NH2+][C@@H]1CCC[C@@H]1c1ccsc1C ZINC000227851606 371945055 /nfs/dbraw/zinc/94/50/55/371945055.db2.gz WYDJSRZHBWPZTQ-VXGBXAGGSA-N 1 0 209.358 3.302 10 0 BGAERO CC[NH2+][C@H]1CCC[C@@H]1c1ccsc1C ZINC000227851611 371945142 /nfs/dbraw/zinc/94/51/42/371945142.db2.gz WYDJSRZHBWPZTQ-NEPJUHHUSA-N 1 0 209.358 3.302 10 0 BGAERO CC[NH2+][C@@H]1CCC[C@H]1c1ccsc1C ZINC000227851615 371949400 /nfs/dbraw/zinc/94/94/00/371949400.db2.gz WYDJSRZHBWPZTQ-NWDGAFQWSA-N 1 0 209.358 3.302 10 0 BGAERO CC[NH2+][C@H]1CCC[C@H]1c1ccsc1C ZINC000227851620 371945128 /nfs/dbraw/zinc/94/51/28/371945128.db2.gz WYDJSRZHBWPZTQ-RYUDHWBXSA-N 1 0 209.358 3.302 10 0 BGAERO CC[C@@H]1C[NH2+]CC[C@@H]1c1ccsc1C ZINC000227851903 371949751 /nfs/dbraw/zinc/94/97/51/371949751.db2.gz GBCFCOSOZWNKNJ-PWSUYJOCSA-N 1 0 209.358 3.160 10 0 BGAERO CC[C@H]1C[NH2+]CC[C@@H]1c1ccsc1C ZINC000227851909 371949594 /nfs/dbraw/zinc/94/95/94/371949594.db2.gz GBCFCOSOZWNKNJ-JQWIXIFHSA-N 1 0 209.358 3.160 10 0 BGAERO CC[C@@H]1C[NH2+]CC[C@H]1c1ccsc1C ZINC000227851912 371949396 /nfs/dbraw/zinc/94/93/96/371949396.db2.gz GBCFCOSOZWNKNJ-ZYHUDNBSSA-N 1 0 209.358 3.160 10 0 BGAERO CC[C@H]1C[NH2+]CC[C@H]1c1ccsc1C ZINC000227851915 371949551 /nfs/dbraw/zinc/94/95/51/371949551.db2.gz GBCFCOSOZWNKNJ-CMPLNLGQSA-N 1 0 209.358 3.160 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[C@@H]1CCCO1 ZINC000227867092 134390733 /nfs/dbraw/zinc/39/07/33/134390733.db2.gz XZKGXDMTCGDHJY-MYPMTAMASA-N 1 0 237.387 3.112 10 0 BGAERO Cc1sccc1[C@@H]1C[C@@H](C)CC[C@@H]1[NH3+] ZINC000227870212 371951078 /nfs/dbraw/zinc/95/10/78/371951078.db2.gz MIYSAYMGOATXIT-UWJYBYFXSA-N 1 0 209.358 3.287 10 0 BGAERO Cc1sccc1[C@@H]1C[C@H](C)CC[C@@H]1[NH3+] ZINC000227870225 371950650 /nfs/dbraw/zinc/95/06/50/371950650.db2.gz MIYSAYMGOATXIT-ZHAHWJHGSA-N 1 0 209.358 3.287 10 0 BGAERO C[NH2+]C[C@@H]1CCC[C@@H]1c1ccsc1C ZINC000227872857 371950671 /nfs/dbraw/zinc/95/06/71/371950671.db2.gz KCHGREJRHQCVJM-JQWIXIFHSA-N 1 0 209.358 3.160 10 0 BGAERO C[NH2+]C[C@H]1CCC[C@@H]1c1ccsc1C ZINC000227872864 371950841 /nfs/dbraw/zinc/95/08/41/371950841.db2.gz KCHGREJRHQCVJM-PWSUYJOCSA-N 1 0 209.358 3.160 10 0 BGAERO C[NH2+]C[C@@H]1CCC[C@H]1c1ccsc1C ZINC000227872869 371951246 /nfs/dbraw/zinc/95/12/46/371951246.db2.gz KCHGREJRHQCVJM-CMPLNLGQSA-N 1 0 209.358 3.160 10 0 BGAERO C[NH2+]C[C@H]1CCC[C@H]1c1ccsc1C ZINC000227872874 371950794 /nfs/dbraw/zinc/95/07/94/371950794.db2.gz KCHGREJRHQCVJM-ZYHUDNBSSA-N 1 0 209.358 3.160 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](SC(C)C)C1 ZINC000227917758 347274410 /nfs/dbraw/zinc/27/44/10/347274410.db2.gz IBGQFORQBDFEAZ-MXWKQRLJSA-N 1 0 201.379 3.034 10 0 BGAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](SC(C)C)C1 ZINC000227917770 347274064 /nfs/dbraw/zinc/27/40/64/347274064.db2.gz IBGQFORQBDFEAZ-VWYCJHECSA-N 1 0 201.379 3.034 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]1C)CCC2 ZINC000227930917 134399888 /nfs/dbraw/zinc/39/98/88/134399888.db2.gz MEBRYTSGVQHPPY-DFBGVHRSSA-N 1 0 215.340 3.370 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C)CCC2 ZINC000227930929 134399521 /nfs/dbraw/zinc/39/95/21/134399521.db2.gz MEBRYTSGVQHPPY-KCPJHIHWSA-N 1 0 215.340 3.370 10 0 BGAERO CC(C)[C@@H]1CCCC[C@@]12[NH2+]C[C@@H](C)S2 ZINC000227951569 371962199 /nfs/dbraw/zinc/96/21/99/371962199.db2.gz LGSCNIZXHFHIFA-WOPDTQHZSA-N 1 0 213.390 3.254 10 0 BGAERO CC(C)[C@@H]1CCCC[C@]12[NH2+]C[C@@H](C)S2 ZINC000227951588 371962151 /nfs/dbraw/zinc/96/21/51/371962151.db2.gz LGSCNIZXHFHIFA-GRYCIOLGSA-N 1 0 213.390 3.254 10 0 BGAERO C/C(=C\c1cc(Br)c(C)s1)C[NH3+] ZINC000227996260 371970191 /nfs/dbraw/zinc/97/01/91/371970191.db2.gz ZLXFCESRCQZYGV-ZZXKWVIFSA-N 1 0 246.173 3.181 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1c2ccccc2CC[C@@H]1C ZINC000228002467 491086678 /nfs/dbraw/zinc/08/66/78/491086678.db2.gz ZLYNVZLQEZLTCT-IDTSFGKNSA-N 1 0 215.340 3.308 10 0 BGAERO CC/C(=C/c1sccc1Br)C[NH3+] ZINC000228025816 371979351 /nfs/dbraw/zinc/97/93/51/371979351.db2.gz SOOQKTUIOSKNPZ-ALCCZGGFSA-N 1 0 246.173 3.263 10 0 BGAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+]CCC[C@H](C)O ZINC000228039494 388766951 /nfs/dbraw/zinc/76/69/51/388766951.db2.gz SSAJJYQSUCYPIQ-BYNSBNAKSA-N 1 0 241.419 3.198 10 0 BGAERO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000228079117 388769118 /nfs/dbraw/zinc/76/91/18/388769118.db2.gz YNJYPIXBAYKXBY-XDQVBPFNSA-N 1 0 241.419 3.340 10 0 BGAERO CC(C)[C@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H](C)C[C@H](C)O ZINC000228079156 388769303 /nfs/dbraw/zinc/76/93/03/388769303.db2.gz IMZLTGDXACFIRD-BTFPBAQTSA-N 1 0 241.419 3.196 10 0 BGAERO CCC(C)(CC)[NH2+]CCc1ccccc1 ZINC000228123655 644004310 /nfs/dbraw/zinc/00/43/10/644004310.db2.gz DTKYWCBIMBNKHE-UHFFFAOYSA-N 1 0 205.345 3.397 10 0 BGAERO Oc1cccc(C[N@@H+]2CC[C@H]3CCCC[C@H]32)c1 ZINC000228185894 183289465 /nfs/dbraw/zinc/28/94/65/183289465.db2.gz LMOTXNXHQDCZSI-UKRRQHHQSA-N 1 0 231.339 3.157 10 0 BGAERO CC(=[NH2+])Nc1cc(Br)c(F)cc1F ZINC000228215905 372003925 /nfs/dbraw/zinc/00/39/25/372003925.db2.gz DODHGRWGOIYTKD-UHFFFAOYSA-N 1 0 249.058 3.136 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)Cc1cccc(Cl)c1F ZINC000228244196 372007825 /nfs/dbraw/zinc/00/78/25/372007825.db2.gz OXZZMANNZWFCSS-JGVFFNPUSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)Cc1cccc(Cl)c1F ZINC000228244203 345312341 /nfs/dbraw/zinc/31/23/41/345312341.db2.gz OXZZMANNZWFCSS-YUMQZZPRSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Cc1cccc(Cl)c1F ZINC000228244211 372007518 /nfs/dbraw/zinc/00/75/18/372007518.db2.gz OXZZMANNZWFCSS-HTQZYQBOSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H](Cc1cccc(Cl)c1F)[C@H](C)[NH3+] ZINC000228244219 372007560 /nfs/dbraw/zinc/00/75/60/372007560.db2.gz OXZZMANNZWFCSS-SFYZADRCSA-N 1 0 215.699 3.005 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C)[C@@H](C)C2 ZINC000228245547 259375091 /nfs/dbraw/zinc/37/50/91/259375091.db2.gz UTKCJVJVCWQCJA-BAESOJJISA-N 1 0 215.340 3.226 10 0 BGAERO Cc1cc2ccccc2nc1N[C@@H](C)C[C@@H](C)[NH3+] ZINC000228268942 358372269 /nfs/dbraw/zinc/37/22/69/358372269.db2.gz DYMLDEHIJCWWNA-NEPJUHHUSA-N 1 0 243.354 3.081 10 0 BGAERO Cc1cc2ccccc2nc1N[C@H](C)C[C@@H](C)[NH3+] ZINC000228268950 358372276 /nfs/dbraw/zinc/37/22/76/358372276.db2.gz DYMLDEHIJCWWNA-VXGBXAGGSA-N 1 0 243.354 3.081 10 0 BGAERO Cc1cc2ccccc2nc1N[C@@H](C)C[C@H](C)[NH3+] ZINC000228268959 358372365 /nfs/dbraw/zinc/37/23/65/358372365.db2.gz DYMLDEHIJCWWNA-RYUDHWBXSA-N 1 0 243.354 3.081 10 0 BGAERO Cc1cc2ccccc2nc1N[C@H](C)C[C@H](C)[NH3+] ZINC000228268968 358372128 /nfs/dbraw/zinc/37/21/28/358372128.db2.gz DYMLDEHIJCWWNA-NWDGAFQWSA-N 1 0 243.354 3.081 10 0 BGAERO C[C@@H]([NH2+]C1CCCCCCC1)C(F)F ZINC000228479306 372032423 /nfs/dbraw/zinc/03/24/23/372032423.db2.gz YGKRJXNTRSKECN-SECBINFHSA-N 1 0 205.292 3.343 10 0 BGAERO C[C@H]([NH2+]C1CCCCCCC1)C(F)F ZINC000228479311 372032797 /nfs/dbraw/zinc/03/27/97/372032797.db2.gz YGKRJXNTRSKECN-VIFPVBQESA-N 1 0 205.292 3.343 10 0 BGAERO CC[C@@]1(C)CCSC(NCc2ccccc2)=[NH+]1 ZINC000228492006 350544761 /nfs/dbraw/zinc/54/47/61/350544761.db2.gz LDTYOKIHILUZFU-AWEZNQCLSA-N 1 0 248.395 3.438 10 0 BGAERO CC[C@]1(C)CCSC(NCc2ccccc2)=[NH+]1 ZINC000228492014 350544893 /nfs/dbraw/zinc/54/48/93/350544893.db2.gz LDTYOKIHILUZFU-CQSZACIVSA-N 1 0 248.395 3.438 10 0 BGAERO Cc1cnccc1C[NH2+][C@H]1CCc2ccccc21 ZINC000228656356 386597699 /nfs/dbraw/zinc/59/76/99/386597699.db2.gz DLNMMJMCCQXNGD-INIZCTEOSA-N 1 0 238.334 3.167 10 0 BGAERO CCC1CCC([NH2+]Cc2ccncc2C)CC1 ZINC000228662695 487702856 /nfs/dbraw/zinc/70/28/56/487702856.db2.gz WFAGKNNJNAGJDM-UHFFFAOYSA-N 1 0 232.371 3.448 10 0 BGAERO C[C@@H]([C@@H]([NH3+])c1ccccc1Cl)C1CC1 ZINC000228673130 351022594 /nfs/dbraw/zinc/02/25/94/351022594.db2.gz BOPMJBRTVIJGHB-PRHODGIISA-N 1 0 209.720 3.386 10 0 BGAERO C[C@H]([C@@H]([NH3+])c1ccccc1Cl)C1CC1 ZINC000228673141 351022741 /nfs/dbraw/zinc/02/27/41/351022741.db2.gz BOPMJBRTVIJGHB-QPUJVOFHSA-N 1 0 209.720 3.386 10 0 BGAERO C[C@@H]([C@H]([NH3+])c1ccccc1Cl)C1CC1 ZINC000228673150 351022805 /nfs/dbraw/zinc/02/28/05/351022805.db2.gz BOPMJBRTVIJGHB-PELKAZGASA-N 1 0 209.720 3.386 10 0 BGAERO C[C@H]([C@H]([NH3+])c1ccccc1Cl)C1CC1 ZINC000228673162 351022843 /nfs/dbraw/zinc/02/28/43/351022843.db2.gz BOPMJBRTVIJGHB-UFBFGSQYSA-N 1 0 209.720 3.386 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H]1CCOc2ccccc21 ZINC000228690371 491100409 /nfs/dbraw/zinc/10/04/09/491100409.db2.gz CBBVGCWOOAFYIU-VNHYZAJKSA-N 1 0 245.366 3.331 10 0 BGAERO Cc1csc([C@@H]([NH3+])C(C)C)c1Cl ZINC000228737204 398326800 /nfs/dbraw/zinc/32/68/00/398326800.db2.gz GKSBWXHJQFHEGB-QMMMGPOBSA-N 1 0 203.738 3.366 10 0 BGAERO Cc1csc([C@H]([NH3+])C(C)C)c1Cl ZINC000228737212 398326736 /nfs/dbraw/zinc/32/67/36/398326736.db2.gz GKSBWXHJQFHEGB-MRVPVSSYSA-N 1 0 203.738 3.366 10 0 BGAERO Cc1csc([C@@H]([NH3+])C2CC2)c1Cl ZINC000228737266 398326778 /nfs/dbraw/zinc/32/67/78/398326778.db2.gz SKXXLDCVIQRZAL-QMMMGPOBSA-N 1 0 201.722 3.120 10 0 BGAERO Cc1csc([C@H]([NH3+])C2CC2)c1Cl ZINC000228737272 398326717 /nfs/dbraw/zinc/32/67/17/398326717.db2.gz SKXXLDCVIQRZAL-MRVPVSSYSA-N 1 0 201.722 3.120 10 0 BGAERO Cc1csc([C@@H]2CCC[NH2+]2)c1Cl ZINC000228737330 398326726 /nfs/dbraw/zinc/32/67/26/398326726.db2.gz WUQLHSMUSPGEDQ-ZETCQYMHSA-N 1 0 201.722 3.134 10 0 BGAERO Cc1csc([C@H]2CCC[NH2+]2)c1Cl ZINC000228737336 398326761 /nfs/dbraw/zinc/32/67/61/398326761.db2.gz WUQLHSMUSPGEDQ-SSDOTTSWSA-N 1 0 201.722 3.134 10 0 BGAERO CC[C@H]([NH3+])c1cc(F)c(F)cc1Cl ZINC000228739340 372075242 /nfs/dbraw/zinc/07/52/42/372075242.db2.gz YOPNSTWZJXANIS-VIFPVBQESA-N 1 0 205.635 3.028 10 0 BGAERO Clc1cc([C@@H]2CC[NH2+]2)ccc1Br ZINC000228755072 351316155 /nfs/dbraw/zinc/31/61/55/351316155.db2.gz PGYSICHEHUPBTB-VIFPVBQESA-N 1 0 246.535 3.137 10 0 BGAERO Clc1cc([C@H]2CC[NH2+]2)ccc1Br ZINC000228755082 351316732 /nfs/dbraw/zinc/31/67/32/351316732.db2.gz PGYSICHEHUPBTB-SECBINFHSA-N 1 0 246.535 3.137 10 0 BGAERO CC[C@@H]([NH3+])c1cc(F)c(F)cc1Cl ZINC000228755233 351316328 /nfs/dbraw/zinc/31/63/28/351316328.db2.gz YOPNSTWZJXANIS-SECBINFHSA-N 1 0 205.635 3.028 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cc(F)c(F)cc1Cl ZINC000228755252 351316143 /nfs/dbraw/zinc/31/61/43/351316143.db2.gz DYFISKYGLNZHPY-SNVBAGLBSA-N 1 0 219.662 3.274 10 0 BGAERO CC(C)[C@H]([NH3+])c1cc(F)c(F)cc1Cl ZINC000228755260 351316750 /nfs/dbraw/zinc/31/67/50/351316750.db2.gz DYFISKYGLNZHPY-JTQLQIEISA-N 1 0 219.662 3.274 10 0 BGAERO CC(C)([NH3+])c1ccc(C(F)(F)F)c(F)c1 ZINC000228792020 358385465 /nfs/dbraw/zinc/38/54/65/358385465.db2.gz UOKSFWLEUKYTQH-UHFFFAOYSA-N 1 0 221.197 3.038 10 0 BGAERO CC1([NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000228834224 351417959 /nfs/dbraw/zinc/41/79/59/351417959.db2.gz VRDVHXVFVAEAFR-UHFFFAOYSA-N 1 0 213.683 3.121 10 0 BGAERO [NH3+][C@@H](Cc1cccc(Cl)c1Cl)C1CC1 ZINC000228862713 372084731 /nfs/dbraw/zinc/08/47/31/372084731.db2.gz ALZXOKGQCJIGGU-JTQLQIEISA-N 1 0 230.138 3.273 10 0 BGAERO [NH3+][C@H](Cc1cccc(Cl)c1Cl)C1CC1 ZINC000228862721 372085503 /nfs/dbraw/zinc/08/55/03/372085503.db2.gz ALZXOKGQCJIGGU-SNVBAGLBSA-N 1 0 230.138 3.273 10 0 BGAERO C[NH2+][C@@H]1CCc2c1c(Cl)ccc2Cl ZINC000228896488 351477977 /nfs/dbraw/zinc/47/79/77/351477977.db2.gz HKVBOEPBNKMTTH-SECBINFHSA-N 1 0 216.111 3.200 10 0 BGAERO C[NH2+][C@H]1CCc2c1c(Cl)ccc2Cl ZINC000228896500 351477682 /nfs/dbraw/zinc/47/76/82/351477682.db2.gz HKVBOEPBNKMTTH-VIFPVBQESA-N 1 0 216.111 3.200 10 0 BGAERO [NH3+]CC1(Cc2cccc(Cl)c2Cl)CC1 ZINC000228910727 351484712 /nfs/dbraw/zinc/48/47/12/351484712.db2.gz HMSNZUCKRLBINF-UHFFFAOYSA-N 1 0 230.138 3.275 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CC[C@@H](C)C2)c1C ZINC000228913383 387126731 /nfs/dbraw/zinc/12/67/31/387126731.db2.gz JGAKZVDAJZWEJE-UHIISALHSA-N 1 0 249.402 3.359 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CC[C@@H](C)C2)c1C ZINC000228913409 134431538 /nfs/dbraw/zinc/43/15/38/134431538.db2.gz JGAKZVDAJZWEJE-SUNKGSAMSA-N 1 0 249.402 3.359 10 0 BGAERO [NH3+]C1(Cc2cccc(Cl)c2Cl)CCC1 ZINC000228940418 372089475 /nfs/dbraw/zinc/08/94/75/372089475.db2.gz OWRAJBDPJMEQRO-UHFFFAOYSA-N 1 0 230.138 3.417 10 0 BGAERO [NH3+][C@@H]1CSCc2c(Cl)c(Cl)ccc21 ZINC000228959410 345421049 /nfs/dbraw/zinc/42/10/49/345421049.db2.gz VLFWPJIPOORANO-MRVPVSSYSA-N 1 0 234.151 3.240 10 0 BGAERO [NH3+][C@H]1CSCc2c(Cl)c(Cl)ccc21 ZINC000228959432 372095002 /nfs/dbraw/zinc/09/50/02/372095002.db2.gz VLFWPJIPOORANO-QMMMGPOBSA-N 1 0 234.151 3.240 10 0 BGAERO c1ccc(CC[NH2+]CCC2CCC2)cc1 ZINC000229080091 711837497 /nfs/dbraw/zinc/83/74/97/711837497.db2.gz YVTCNRMBBKUNKJ-UHFFFAOYSA-N 1 0 203.329 3.009 10 0 BGAERO c1ccc(CC[NH2+]CCCC2CC2)cc1 ZINC000229102993 711837701 /nfs/dbraw/zinc/83/77/01/711837701.db2.gz GZVLKWCUZOJXSL-UHFFFAOYSA-N 1 0 203.329 3.009 10 0 BGAERO CCSCC[C@@H](C)[NH2+]CCc1ccccc1 ZINC000229123779 640924274 /nfs/dbraw/zinc/92/42/74/640924274.db2.gz YEBSQSSOSAWMEN-CYBMUJFWSA-N 1 0 237.412 3.350 10 0 BGAERO CCSCC[C@H](C)[NH2+]CCc1ccccc1 ZINC000229123787 640923955 /nfs/dbraw/zinc/92/39/55/640923955.db2.gz YEBSQSSOSAWMEN-ZDUSSCGKSA-N 1 0 237.412 3.350 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H]1c1ccccc1)c1cscn1 ZINC000229126913 632523007 /nfs/dbraw/zinc/52/30/07/632523007.db2.gz UVTTZZKLAJOVSW-UHTWSYAYSA-N 1 0 244.363 3.350 10 0 BGAERO CCC1([NH2+]CCc2ccccc2)CCC1 ZINC000229140130 640926885 /nfs/dbraw/zinc/92/68/85/640926885.db2.gz UAHFPMDHPJADPY-UHFFFAOYSA-N 1 0 203.329 3.151 10 0 BGAERO CCCn1ccc(C[NH2+]CCCCSC)c1 ZINC000229211234 134447973 /nfs/dbraw/zinc/44/79/73/134447973.db2.gz BUBLBQAAVDBUQB-UHFFFAOYSA-N 1 0 240.416 3.131 10 0 BGAERO C[C@@H]1CS[C@H](c2cccc(Cl)c2F)N1 ZINC000229253207 345465859 /nfs/dbraw/zinc/46/58/59/345465859.db2.gz AZFMGVACVAZHOK-LHLIQPBNSA-N 1 0 231.723 3.203 10 0 BGAERO C[C@H]1CS[C@@H](c2cccc(Cl)c2F)N1 ZINC000229253238 345465844 /nfs/dbraw/zinc/46/58/44/345465844.db2.gz AZFMGVACVAZHOK-WKEGUHRASA-N 1 0 231.723 3.203 10 0 BGAERO Cc1cccc([C@@H]([NH3+])C2CC2)c1Br ZINC000229296397 372137942 /nfs/dbraw/zinc/13/79/42/372137942.db2.gz YGQUBYOQBWHFOY-NSHDSACASA-N 1 0 240.144 3.167 10 0 BGAERO Cc1cccc([C@H]([NH3+])C2CC2)c1Br ZINC000229296406 372137759 /nfs/dbraw/zinc/13/77/59/372137759.db2.gz YGQUBYOQBWHFOY-LLVKDONJSA-N 1 0 240.144 3.167 10 0 BGAERO CC[C@@H]([NH3+])c1cccc(C)c1Br ZINC000229296511 372137214 /nfs/dbraw/zinc/13/72/14/372137214.db2.gz GUHOIEHSJIGJTR-SECBINFHSA-N 1 0 228.133 3.167 10 0 BGAERO CC[C@H]([NH3+])c1cccc(C)c1Br ZINC000229296519 345483319 /nfs/dbraw/zinc/48/33/19/345483319.db2.gz GUHOIEHSJIGJTR-VIFPVBQESA-N 1 0 228.133 3.167 10 0 BGAERO C[NH2+][C@@H](c1ccco1)[C@@H](C)c1ccccc1 ZINC000229306286 358401541 /nfs/dbraw/zinc/40/15/41/358401541.db2.gz KACRHOINVIQFMY-SMDDNHRTSA-N 1 0 215.296 3.344 10 0 BGAERO C[NH2+][C@H](c1ccco1)[C@@H](C)c1ccccc1 ZINC000229306298 358401329 /nfs/dbraw/zinc/40/13/29/358401329.db2.gz KACRHOINVIQFMY-FZMZJTMJSA-N 1 0 215.296 3.344 10 0 BGAERO C[NH2+][C@@H](c1ccco1)[C@H](C)c1ccccc1 ZINC000229306310 358401199 /nfs/dbraw/zinc/40/11/99/358401199.db2.gz KACRHOINVIQFMY-BXUZGUMPSA-N 1 0 215.296 3.344 10 0 BGAERO C[NH2+][C@H](c1ccco1)[C@H](C)c1ccccc1 ZINC000229306323 358400971 /nfs/dbraw/zinc/40/09/71/358400971.db2.gz KACRHOINVIQFMY-RISCZKNCSA-N 1 0 215.296 3.344 10 0 BGAERO CC[C@@](C)(O)C[NH+]1CCC(CC)(CC)CC1 ZINC000229391414 134451088 /nfs/dbraw/zinc/45/10/88/134451088.db2.gz KWTLDMQGFBZYNB-CYBMUJFWSA-N 1 0 227.392 3.050 10 0 BGAERO CC[C@](C)(O)C[NH+]1CCC(CC)(CC)CC1 ZINC000229391426 387166263 /nfs/dbraw/zinc/16/62/63/387166263.db2.gz KWTLDMQGFBZYNB-ZDUSSCGKSA-N 1 0 227.392 3.050 10 0 BGAERO CCCn1ccc(C[NH2+]C2(CC)CCC2)c1 ZINC000229481612 134454973 /nfs/dbraw/zinc/45/49/73/134454973.db2.gz XSLAGBTWDSSDTD-UHFFFAOYSA-N 1 0 220.360 3.320 10 0 BGAERO CC(C)C(C[NH2+]CC[C@@H]1CCCO1)C(C)C ZINC000229548657 491100623 /nfs/dbraw/zinc/10/06/23/491100623.db2.gz VPELLXNYYUXPQC-ZDUSSCGKSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)C(C[NH2+]CC[C@H]1CCCO1)C(C)C ZINC000229548669 491100622 /nfs/dbraw/zinc/10/06/22/491100622.db2.gz VPELLXNYYUXPQC-CYBMUJFWSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)C(C[NH2+][C@@H]1CCCCC[C@H]1O)C(C)C ZINC000229549826 358404435 /nfs/dbraw/zinc/40/44/35/358404435.db2.gz MEGQLIFXMFVXCR-HUUCEWRRSA-N 1 0 241.419 3.198 10 0 BGAERO Cc1cc(NC2CCC(C)CC2)cc[nH+]1 ZINC000229560784 178154781 /nfs/dbraw/zinc/15/47/81/178154781.db2.gz PITFNRIWMVDBAO-UHFFFAOYSA-N 1 0 204.317 3.381 10 0 BGAERO C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)s1 ZINC000229566870 346437337 /nfs/dbraw/zinc/43/73/37/346437337.db2.gz PYJVMIYTTSBQQX-SFYZADRCSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@H]1C[NH2+]CC[C@@H]1c1ccc(Cl)s1 ZINC000229566876 372165757 /nfs/dbraw/zinc/16/57/57/372165757.db2.gz PYJVMIYTTSBQQX-YUMQZZPRSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@@H]1C[NH2+]CC[C@H]1c1ccc(Cl)s1 ZINC000229566880 372165694 /nfs/dbraw/zinc/16/56/94/372165694.db2.gz PYJVMIYTTSBQQX-HTQZYQBOSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@H]1C[NH2+]CC[C@H]1c1ccc(Cl)s1 ZINC000229566886 346437909 /nfs/dbraw/zinc/43/79/09/346437909.db2.gz PYJVMIYTTSBQQX-JGVFFNPUSA-N 1 0 215.749 3.115 10 0 BGAERO Cc1cc(N[C@H](C)C2CCCC2)cc[nH+]1 ZINC000229568070 388795257 /nfs/dbraw/zinc/79/52/57/388795257.db2.gz BUJVKVYNUOSLNQ-LLVKDONJSA-N 1 0 204.317 3.381 10 0 BGAERO Cc1cc(N[C@@H](C)C2CCCC2)cc[nH+]1 ZINC000229568078 259642272 /nfs/dbraw/zinc/64/22/72/259642272.db2.gz BUJVKVYNUOSLNQ-NSHDSACASA-N 1 0 204.317 3.381 10 0 BGAERO Cc1cc(N[C@H](C)c2nccs2)cc[nH+]1 ZINC000229568414 178187978 /nfs/dbraw/zinc/18/79/78/178187978.db2.gz PPHMWBHGRDJSFP-SECBINFHSA-N 1 0 219.313 3.020 10 0 BGAERO CSCCCCC[NH2+]CCc1ccccc1 ZINC000229606376 640968395 /nfs/dbraw/zinc/96/83/95/640968395.db2.gz GACIGEJFXRTIRD-UHFFFAOYSA-N 1 0 237.412 3.352 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229624837 388861330 /nfs/dbraw/zinc/86/13/30/388861330.db2.gz UKXALTLIDMRYJT-LLVKDONJSA-N 1 0 216.328 3.302 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000229624846 324969523 /nfs/dbraw/zinc/96/95/23/324969523.db2.gz UKXALTLIDMRYJT-NSHDSACASA-N 1 0 216.328 3.302 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229624861 487933063 /nfs/dbraw/zinc/93/30/63/487933063.db2.gz KXMWMWJIZQVCDX-LLVKDONJSA-N 1 0 216.328 3.302 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000229624871 487932930 /nfs/dbraw/zinc/93/29/30/487932930.db2.gz KXMWMWJIZQVCDX-NSHDSACASA-N 1 0 216.328 3.302 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2C)o1 ZINC000229657658 385651152 /nfs/dbraw/zinc/65/11/52/385651152.db2.gz XNPGXXIAHQHONO-GFCCVEGCSA-N 1 0 230.311 3.142 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]Cc2ccncc2C)o1 ZINC000229657669 385651442 /nfs/dbraw/zinc/65/14/42/385651442.db2.gz XNPGXXIAHQHONO-LBPRGKRZSA-N 1 0 230.311 3.142 10 0 BGAERO CC[C@@H]1C[NH2+]CC[C@@H]1c1csc(C)c1 ZINC000229824669 355420143 /nfs/dbraw/zinc/42/01/43/355420143.db2.gz BADQCQVBHVDZPM-PWSUYJOCSA-N 1 0 209.358 3.160 10 0 BGAERO CC[C@H]1C[NH2+]CC[C@@H]1c1csc(C)c1 ZINC000229824678 355420122 /nfs/dbraw/zinc/42/01/22/355420122.db2.gz BADQCQVBHVDZPM-JQWIXIFHSA-N 1 0 209.358 3.160 10 0 BGAERO CC[C@@H]1C[NH2+]CC[C@H]1c1csc(C)c1 ZINC000229824685 355420700 /nfs/dbraw/zinc/42/07/00/355420700.db2.gz BADQCQVBHVDZPM-ZYHUDNBSSA-N 1 0 209.358 3.160 10 0 BGAERO CC[C@H]1C[NH2+]CC[C@H]1c1csc(C)c1 ZINC000229824689 355421260 /nfs/dbraw/zinc/42/12/60/355421260.db2.gz BADQCQVBHVDZPM-CMPLNLGQSA-N 1 0 209.358 3.160 10 0 BGAERO Cc1ccc([C@@H]2CC[C@@H]([NH3+])C2)cc1Cl ZINC000229828090 355414762 /nfs/dbraw/zinc/41/47/62/355414762.db2.gz NAFAZMQWRUTNHV-MWLCHTKSSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@H]2CC[C@@H]([NH3+])C2)cc1Cl ZINC000229828098 346467718 /nfs/dbraw/zinc/46/77/18/346467718.db2.gz NAFAZMQWRUTNHV-GXSJLCMTSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000229828107 355414658 /nfs/dbraw/zinc/41/46/58/355414658.db2.gz NAFAZMQWRUTNHV-KOLCDFICSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@H]2CC[C@H]([NH3+])C2)cc1Cl ZINC000229828115 355415168 /nfs/dbraw/zinc/41/51/68/355415168.db2.gz NAFAZMQWRUTNHV-ONGXEEELSA-N 1 0 209.720 3.243 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](c2sccc2Cl)C1 ZINC000229828281 355415042 /nfs/dbraw/zinc/41/50/42/355415042.db2.gz ZYIHPDNVXSNZSY-HTQZYQBOSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](c2sccc2Cl)C1 ZINC000229828288 355415539 /nfs/dbraw/zinc/41/55/39/355415539.db2.gz ZYIHPDNVXSNZSY-SFYZADRCSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](c2sccc2Cl)C1 ZINC000229828292 355415950 /nfs/dbraw/zinc/41/59/50/355415950.db2.gz ZYIHPDNVXSNZSY-JGVFFNPUSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@H]1CCC[C@H](c2sccc2Cl)C1 ZINC000229828297 355416044 /nfs/dbraw/zinc/41/60/44/355416044.db2.gz ZYIHPDNVXSNZSY-YUMQZZPRSA-N 1 0 215.749 3.386 10 0 BGAERO Cc1ccc([C@@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000229828635 355415639 /nfs/dbraw/zinc/41/56/39/355415639.db2.gz LUFVNCPOUFFTBB-JQWIXIFHSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@H]2CCC[C@@H]2[NH3+])cc1Cl ZINC000229828640 355415991 /nfs/dbraw/zinc/41/59/91/355415991.db2.gz LUFVNCPOUFFTBB-PWSUYJOCSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000229828647 355415646 /nfs/dbraw/zinc/41/56/46/355415646.db2.gz LUFVNCPOUFFTBB-CMPLNLGQSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@H]2CCC[C@H]2[NH3+])cc1Cl ZINC000229828654 355416021 /nfs/dbraw/zinc/41/60/21/355416021.db2.gz LUFVNCPOUFFTBB-ZYHUDNBSSA-N 1 0 209.720 3.243 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1c1sccc1Cl ZINC000229828820 355415663 /nfs/dbraw/zinc/41/56/63/355415663.db2.gz LGMLGDHWMNNWOG-IONNQARKSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H]1c1sccc1Cl ZINC000229828828 355415770 /nfs/dbraw/zinc/41/57/70/355415770.db2.gz LGMLGDHWMNNWOG-CBAPKCEASA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1c1sccc1Cl ZINC000229828834 355415868 /nfs/dbraw/zinc/41/58/68/355415868.db2.gz LGMLGDHWMNNWOG-VXNVDRBHSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1c1sccc1Cl ZINC000229828841 355415578 /nfs/dbraw/zinc/41/55/78/355415578.db2.gz LGMLGDHWMNNWOG-APPZFPTMSA-N 1 0 215.749 3.386 10 0 BGAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000229874995 388802031 /nfs/dbraw/zinc/80/20/31/388802031.db2.gz DNDCKLKEPZHAAC-UKRRQHHQSA-N 1 0 241.419 3.296 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1CCC[C@@H](C(C)(C)C)CC1 ZINC000229875002 388801165 /nfs/dbraw/zinc/80/11/65/388801165.db2.gz DNDCKLKEPZHAAC-HIFRSBDPSA-N 1 0 241.419 3.296 10 0 BGAERO CCC([NH3+])(CC)c1sccc1Cl ZINC000229927133 342855586 /nfs/dbraw/zinc/85/55/86/342855586.db2.gz ZTZWSSCYSUSDLS-UHFFFAOYSA-N 1 0 203.738 3.376 10 0 BGAERO CC(C)[C@@](C)([NH3+])c1sccc1Cl ZINC000229927141 342855649 /nfs/dbraw/zinc/85/56/49/342855649.db2.gz WHCIHKBWZVOBCY-SECBINFHSA-N 1 0 203.738 3.231 10 0 BGAERO CC(C)[C@](C)([NH3+])c1sccc1Cl ZINC000229927149 342855621 /nfs/dbraw/zinc/85/56/21/342855621.db2.gz WHCIHKBWZVOBCY-VIFPVBQESA-N 1 0 203.738 3.231 10 0 BGAERO C[C@@H]1CC[C@@]([NH3+])(c2sccc2Cl)C1 ZINC000229927453 342855679 /nfs/dbraw/zinc/85/56/79/342855679.db2.gz IAWICIQMEQIOGY-XCBNKYQSSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CC[C@@]([NH3+])(c2sccc2Cl)C1 ZINC000229927459 342855655 /nfs/dbraw/zinc/85/56/55/342855655.db2.gz IAWICIQMEQIOGY-XVKPBYJWSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1CC[C@]([NH3+])(c2sccc2Cl)C1 ZINC000229927462 342855685 /nfs/dbraw/zinc/85/56/85/342855685.db2.gz IAWICIQMEQIOGY-GMSGAONNSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CC[C@]([NH3+])(c2sccc2Cl)C1 ZINC000229927469 342855572 /nfs/dbraw/zinc/85/55/72/342855572.db2.gz IAWICIQMEQIOGY-OIBJUYFYSA-N 1 0 215.749 3.376 10 0 BGAERO CC[C@@]1(c2sccc2Cl)CCC[NH2+]1 ZINC000229936271 342857453 /nfs/dbraw/zinc/85/74/53/342857453.db2.gz HLSPLKYRZPSXTM-JTQLQIEISA-N 1 0 215.749 3.390 10 0 BGAERO CC[C@]1(c2sccc2Cl)CCC[NH2+]1 ZINC000229936274 346479553 /nfs/dbraw/zinc/47/95/53/346479553.db2.gz HLSPLKYRZPSXTM-SNVBAGLBSA-N 1 0 215.749 3.390 10 0 BGAERO Clc1ccsc1[C@@]1(C2CC2)CCC[NH2+]1 ZINC000229936299 342857481 /nfs/dbraw/zinc/85/74/81/342857481.db2.gz FDIWOGPAEAGIPA-NSHDSACASA-N 1 0 227.760 3.390 10 0 BGAERO Clc1ccsc1[C@]1(C2CC2)CCC[NH2+]1 ZINC000229936304 342857509 /nfs/dbraw/zinc/85/75/09/342857509.db2.gz FDIWOGPAEAGIPA-LLVKDONJSA-N 1 0 227.760 3.390 10 0 BGAERO CC1([C@@H]([NH3+])c2sccc2Cl)CC1 ZINC000229939584 342857146 /nfs/dbraw/zinc/85/71/46/342857146.db2.gz CRNPQQNYEGYVBW-QMMMGPOBSA-N 1 0 201.722 3.201 10 0 BGAERO CC1([C@H]([NH3+])c2sccc2Cl)CC1 ZINC000229939589 342857101 /nfs/dbraw/zinc/85/71/01/342857101.db2.gz CRNPQQNYEGYVBW-MRVPVSSYSA-N 1 0 201.722 3.201 10 0 BGAERO C[NH2+][C@@H](c1sccc1Cl)C1(C)CC1 ZINC000229939594 342857212 /nfs/dbraw/zinc/85/72/12/342857212.db2.gz GWHGTNHVLBOKAF-VIFPVBQESA-N 1 0 215.749 3.462 10 0 BGAERO C[NH2+][C@H](c1sccc1Cl)C1(C)CC1 ZINC000229939600 342857184 /nfs/dbraw/zinc/85/71/84/342857184.db2.gz GWHGTNHVLBOKAF-SECBINFHSA-N 1 0 215.749 3.462 10 0 BGAERO [NH3+][C@@H](c1sccc1Cl)[C@@H]1CCCS1 ZINC000229939771 342857247 /nfs/dbraw/zinc/85/72/47/342857247.db2.gz WLMDMFYBQUPJSY-JGVFFNPUSA-N 1 0 233.789 3.297 10 0 BGAERO [NH3+][C@H](c1sccc1Cl)[C@@H]1CCCS1 ZINC000229939776 342857237 /nfs/dbraw/zinc/85/72/37/342857237.db2.gz WLMDMFYBQUPJSY-YUMQZZPRSA-N 1 0 233.789 3.297 10 0 BGAERO [NH3+][C@@H](c1sccc1Cl)[C@H]1CCCS1 ZINC000229939782 342857111 /nfs/dbraw/zinc/85/71/11/342857111.db2.gz WLMDMFYBQUPJSY-HTQZYQBOSA-N 1 0 233.789 3.297 10 0 BGAERO [NH3+][C@H](c1sccc1Cl)[C@H]1CCCS1 ZINC000229939786 342857195 /nfs/dbraw/zinc/85/71/95/342857195.db2.gz WLMDMFYBQUPJSY-SFYZADRCSA-N 1 0 233.789 3.297 10 0 BGAERO N[C@@H](Cc1ccc(Cl)cc1Cl)C(F)F ZINC000229941036 342857685 /nfs/dbraw/zinc/85/76/85/342857685.db2.gz JPHZXEXOPZOJGW-QMMMGPOBSA-N 1 0 240.080 3.128 10 0 BGAERO N[C@H](Cc1ccc(Cl)cc1Cl)C(F)F ZINC000229941041 342857863 /nfs/dbraw/zinc/85/78/63/342857863.db2.gz JPHZXEXOPZOJGW-MRVPVSSYSA-N 1 0 240.080 3.128 10 0 BGAERO Nc1cc[nH+]cc1-c1sccc1Cl ZINC000229945865 342857996 /nfs/dbraw/zinc/85/79/96/342857996.db2.gz VXXIMXUBFWQIBW-UHFFFAOYSA-N 1 0 210.689 3.046 10 0 BGAERO [NH3+]Cc1occc1-c1sccc1Cl ZINC000229946850 342858331 /nfs/dbraw/zinc/85/83/31/342858331.db2.gz ZQCTWEUJOGOHAZ-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO [NH3+]Cc1ccc(-c2sccc2Cl)o1 ZINC000229946959 342858318 /nfs/dbraw/zinc/85/83/18/342858318.db2.gz VUBVIOHNKJBNMA-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H]1c1sccc1Cl ZINC000229947834 342858303 /nfs/dbraw/zinc/85/83/03/342858303.db2.gz TXPUHZHFMYTWON-IONNQARKSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@H]1CCC[C@@H]1c1sccc1Cl ZINC000229947840 342858345 /nfs/dbraw/zinc/85/83/45/342858345.db2.gz TXPUHZHFMYTWON-CBAPKCEASA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H]1c1sccc1Cl ZINC000229947845 342858302 /nfs/dbraw/zinc/85/83/02/342858302.db2.gz TXPUHZHFMYTWON-VXNVDRBHSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@H]1CCC[C@H]1c1sccc1Cl ZINC000229947850 342858297 /nfs/dbraw/zinc/85/82/97/342858297.db2.gz TXPUHZHFMYTWON-APPZFPTMSA-N 1 0 215.749 3.257 10 0 BGAERO C[C@@H]1C[NH2+]CC[C@@H]1c1sccc1Cl ZINC000229948089 342858389 /nfs/dbraw/zinc/85/83/89/342858389.db2.gz UVJIGTQHOWSGQD-SFYZADRCSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@H]1C[NH2+]CC[C@@H]1c1sccc1Cl ZINC000229948095 342858351 /nfs/dbraw/zinc/85/83/51/342858351.db2.gz UVJIGTQHOWSGQD-YUMQZZPRSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@@H]1C[NH2+]CC[C@H]1c1sccc1Cl ZINC000229948101 342858296 /nfs/dbraw/zinc/85/82/96/342858296.db2.gz UVJIGTQHOWSGQD-HTQZYQBOSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@H]1C[NH2+]CC[C@H]1c1sccc1Cl ZINC000229948106 342858271 /nfs/dbraw/zinc/85/82/71/342858271.db2.gz UVJIGTQHOWSGQD-JGVFFNPUSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](c2sccc2Cl)C1 ZINC000229948240 342858391 /nfs/dbraw/zinc/85/83/91/342858391.db2.gz FCXGKCVYPHISDL-VXNVDRBHSA-N 1 0 215.749 3.462 10 0 BGAERO C[C@H]1CC[NH2+][C@@H](c2sccc2Cl)C1 ZINC000229948244 342858313 /nfs/dbraw/zinc/85/83/13/342858313.db2.gz FCXGKCVYPHISDL-IONNQARKSA-N 1 0 215.749 3.462 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](c2sccc2Cl)C1 ZINC000229948248 342858327 /nfs/dbraw/zinc/85/83/27/342858327.db2.gz FCXGKCVYPHISDL-APPZFPTMSA-N 1 0 215.749 3.462 10 0 BGAERO C[C@H]1CC[NH2+][C@H](c2sccc2Cl)C1 ZINC000229948253 342858386 /nfs/dbraw/zinc/85/83/86/342858386.db2.gz FCXGKCVYPHISDL-CBAPKCEASA-N 1 0 215.749 3.462 10 0 BGAERO C[NH2+][C@@H]1CC[C@@H](c2sccc2Cl)C1 ZINC000229948675 342858350 /nfs/dbraw/zinc/85/83/50/342858350.db2.gz PCHVCGYYXDCMAM-HTQZYQBOSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@H]1CC[C@@H](c2sccc2Cl)C1 ZINC000229948679 350591870 /nfs/dbraw/zinc/59/18/70/350591870.db2.gz PCHVCGYYXDCMAM-SFYZADRCSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@@H]1CC[C@H](c2sccc2Cl)C1 ZINC000229948684 342858284 /nfs/dbraw/zinc/85/82/84/342858284.db2.gz PCHVCGYYXDCMAM-JGVFFNPUSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@H]1CC[C@H](c2sccc2Cl)C1 ZINC000229948687 342858341 /nfs/dbraw/zinc/85/83/41/342858341.db2.gz PCHVCGYYXDCMAM-YUMQZZPRSA-N 1 0 215.749 3.257 10 0 BGAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1c1sccc1Cl ZINC000229949292 342858266 /nfs/dbraw/zinc/85/82/66/342858266.db2.gz SMYBIXRTRAIPIB-ZKWXMUAHSA-N 1 0 215.749 3.242 10 0 BGAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1c1sccc1Cl ZINC000229949299 342858378 /nfs/dbraw/zinc/85/83/78/342858378.db2.gz SMYBIXRTRAIPIB-ACLDMZEESA-N 1 0 215.749 3.242 10 0 BGAERO [NH3+][C@@H]1C=C(c2sccc2Cl)CCC1 ZINC000229949376 342858298 /nfs/dbraw/zinc/85/82/98/342858298.db2.gz CUBMUYUTEFJUNO-QMMMGPOBSA-N 1 0 213.733 3.296 10 0 BGAERO [NH3+][C@H]1C=C(c2sccc2Cl)CCC1 ZINC000229949381 342858356 /nfs/dbraw/zinc/85/83/56/342858356.db2.gz CUBMUYUTEFJUNO-MRVPVSSYSA-N 1 0 213.733 3.296 10 0 BGAERO C[C@@]1(c2sccc2Cl)CC[C@@H]([NH3+])C1 ZINC000229949401 342858352 /nfs/dbraw/zinc/85/83/52/342858352.db2.gz SREQSHMQWVYSLQ-GMSGAONNSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@]1(c2sccc2Cl)CC[C@@H]([NH3+])C1 ZINC000229949407 342858390 /nfs/dbraw/zinc/85/83/90/342858390.db2.gz SREQSHMQWVYSLQ-XCBNKYQSSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@@]1(c2sccc2Cl)CC[C@H]([NH3+])C1 ZINC000229949412 342858393 /nfs/dbraw/zinc/85/83/93/342858393.db2.gz SREQSHMQWVYSLQ-OIBJUYFYSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@]1(c2sccc2Cl)CC[C@H]([NH3+])C1 ZINC000229949418 342858373 /nfs/dbraw/zinc/85/83/73/342858373.db2.gz SREQSHMQWVYSLQ-XVKPBYJWSA-N 1 0 215.749 3.170 10 0 BGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1sccc1Cl ZINC000229952941 342858981 /nfs/dbraw/zinc/85/89/81/342858981.db2.gz SQCQVUPSGSQQNH-YUMQZZPRSA-N 1 0 215.749 3.244 10 0 BGAERO [NH3+]C[C@H]1CCC[C@@H]1c1sccc1Cl ZINC000229952948 342858913 /nfs/dbraw/zinc/85/89/13/342858913.db2.gz SQCQVUPSGSQQNH-SFYZADRCSA-N 1 0 215.749 3.244 10 0 BGAERO [NH3+]C[C@@H]1CCC[C@H]1c1sccc1Cl ZINC000229952953 342859062 /nfs/dbraw/zinc/85/90/62/342859062.db2.gz SQCQVUPSGSQQNH-JGVFFNPUSA-N 1 0 215.749 3.244 10 0 BGAERO [NH3+]C[C@H]1CCC[C@H]1c1sccc1Cl ZINC000229952958 342859067 /nfs/dbraw/zinc/85/90/67/342859067.db2.gz SQCQVUPSGSQQNH-HTQZYQBOSA-N 1 0 215.749 3.244 10 0 BGAERO [NH3+]C1CCC(F)(c2sccc2Cl)CC1 ZINC000229955701 342859835 /nfs/dbraw/zinc/85/98/35/342859835.db2.gz OUMSKSRSEARWHA-UHFFFAOYSA-N 1 0 233.739 3.468 10 0 BGAERO [NH3+][C@@H]1CC[C@@](F)(c2sccc2Cl)C1 ZINC000229955849 342859928 /nfs/dbraw/zinc/85/99/28/342859928.db2.gz IAEORICIWJPXEI-MUWHJKNJSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@H]1CC[C@@](F)(c2sccc2Cl)C1 ZINC000229955854 342859830 /nfs/dbraw/zinc/85/98/30/342859830.db2.gz IAEORICIWJPXEI-RCOVLWMOSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@@H]1CC[C@](F)(c2sccc2Cl)C1 ZINC000229955860 342859851 /nfs/dbraw/zinc/85/98/51/342859851.db2.gz IAEORICIWJPXEI-HZGVNTEJSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@H]1CC[C@](F)(c2sccc2Cl)C1 ZINC000229955868 342859987 /nfs/dbraw/zinc/85/99/87/342859987.db2.gz IAEORICIWJPXEI-IMTBSYHQSA-N 1 0 219.712 3.078 10 0 BGAERO F[C@@H](c1sccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000229956129 342860167 /nfs/dbraw/zinc/86/01/67/342860167.db2.gz CBOMPZMEWPPDCI-JGVFFNPUSA-N 1 0 219.712 3.164 10 0 BGAERO F[C@H](c1sccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000229956133 342860328 /nfs/dbraw/zinc/86/03/28/342860328.db2.gz CBOMPZMEWPPDCI-YUMQZZPRSA-N 1 0 219.712 3.164 10 0 BGAERO F[C@@H](c1sccc1Cl)[C@H]1CCC[NH2+]1 ZINC000229956136 342860254 /nfs/dbraw/zinc/86/02/54/342860254.db2.gz CBOMPZMEWPPDCI-HTQZYQBOSA-N 1 0 219.712 3.164 10 0 BGAERO F[C@H](c1sccc1Cl)[C@H]1CCC[NH2+]1 ZINC000229956140 342860097 /nfs/dbraw/zinc/86/00/97/342860097.db2.gz CBOMPZMEWPPDCI-SFYZADRCSA-N 1 0 219.712 3.164 10 0 BGAERO [NH3+]C1(C(=O)c2sccc2Cl)CCCCC1 ZINC000229956247 342860228 /nfs/dbraw/zinc/86/02/28/342860228.db2.gz VOHMEDQAZGAJPR-UHFFFAOYSA-N 1 0 243.759 3.246 10 0 BGAERO CC(C)([NH3+])C(C)(C)C(=O)c1sccc1Cl ZINC000229957153 342860197 /nfs/dbraw/zinc/86/01/97/342860197.db2.gz YJSKPRYCYXGUKJ-UHFFFAOYSA-N 1 0 245.775 3.348 10 0 BGAERO CC[C@@]1(C(=O)c2sccc2Cl)CCC[NH2+]1 ZINC000229958588 342860285 /nfs/dbraw/zinc/86/02/85/342860285.db2.gz SKXJKKICKCJXHG-NSHDSACASA-N 1 0 243.759 3.116 10 0 BGAERO CC[C@]1(C(=O)c2sccc2Cl)CCC[NH2+]1 ZINC000229958595 342860332 /nfs/dbraw/zinc/86/03/32/342860332.db2.gz SKXJKKICKCJXHG-LLVKDONJSA-N 1 0 243.759 3.116 10 0 BGAERO [NH3+][C@@H](c1sccc1Cl)[C@@H]1CCSC1 ZINC000229961320 342859243 /nfs/dbraw/zinc/85/92/43/342859243.db2.gz AJHSSCYHCDESPC-HTRCEHHLSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@H](c1sccc1Cl)[C@@H]1CCSC1 ZINC000229961327 342859324 /nfs/dbraw/zinc/85/93/24/342859324.db2.gz AJHSSCYHCDESPC-SVRRBLITSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@@H](c1sccc1Cl)[C@H]1CCSC1 ZINC000229961330 342859436 /nfs/dbraw/zinc/85/94/36/342859436.db2.gz AJHSSCYHCDESPC-POYBYMJQSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@H](c1sccc1Cl)[C@H]1CCSC1 ZINC000229961337 342859427 /nfs/dbraw/zinc/85/94/27/342859427.db2.gz AJHSSCYHCDESPC-XPUUQOCRSA-N 1 0 233.789 3.154 10 0 BGAERO Fc1cc(Cl)cc(N[C@@H]2CCC[NH2+]CC2)c1 ZINC000229992362 641004315 /nfs/dbraw/zinc/00/43/15/641004315.db2.gz ZBEIJPBSBQMIFU-LLVKDONJSA-N 1 0 242.725 3.033 10 0 BGAERO Fc1cc(Cl)cc(N[C@H]2CCC[NH2+]CC2)c1 ZINC000229992366 641004560 /nfs/dbraw/zinc/00/45/60/641004560.db2.gz ZBEIJPBSBQMIFU-NSHDSACASA-N 1 0 242.725 3.033 10 0 BGAERO [NH3+]C1CCC(Nc2cc(F)cc(Cl)c2)CC1 ZINC000229995723 181342156 /nfs/dbraw/zinc/34/21/56/181342156.db2.gz IMDNGOKQYIPHMB-UHFFFAOYSA-N 1 0 242.725 3.161 10 0 BGAERO [NH3+]Cc1cccc(-c2ccc(OC3CC3)cc2)c1 ZINC000230000575 324990276 /nfs/dbraw/zinc/99/02/76/324990276.db2.gz WREOWXOYVNIHEF-UHFFFAOYSA-N 1 0 239.318 3.354 10 0 BGAERO [NH3+]Cc1ccc(-c2ccc(OC3CC3)cc2)cc1 ZINC000230000708 388874010 /nfs/dbraw/zinc/87/40/10/388874010.db2.gz KHXGNLKNHXQDLC-UHFFFAOYSA-N 1 0 239.318 3.354 10 0 BGAERO CCC[NH2+]C[C@@H](CC)COCc1ccccc1 ZINC000230086010 371829754 /nfs/dbraw/zinc/82/97/54/371829754.db2.gz NEXFWGJRYNIIDT-CQSZACIVSA-N 1 0 235.371 3.229 10 0 BGAERO CCC[NH2+]C[C@H](CC)COCc1ccccc1 ZINC000230086013 371830714 /nfs/dbraw/zinc/83/07/14/371830714.db2.gz NEXFWGJRYNIIDT-AWEZNQCLSA-N 1 0 235.371 3.229 10 0 BGAERO C[C@H](CO)CCC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230158594 387237940 /nfs/dbraw/zinc/23/79/40/387237940.db2.gz YWPKJHZDZVDNGA-BFHYXJOUSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CO)CCC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230158601 387238250 /nfs/dbraw/zinc/23/82/50/387238250.db2.gz YWPKJHZDZVDNGA-MJBXVCDLSA-N 1 0 241.419 3.199 10 0 BGAERO CC[N@H+](CC1CCC1)C[C@@](C)(O)c1ccccc1 ZINC000230327910 641048038 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ZINC000230617808 259648172 /nfs/dbraw/zinc/64/81/72/259648172.db2.gz WNAAHUKWALTRTO-ILXRZTDVSA-N 1 0 241.419 3.199 10 0 BGAERO CCc1cnc(CN[C@@H](C)c2cccs2)o1 ZINC000230630107 491130489 /nfs/dbraw/zinc/13/04/89/491130489.db2.gz IITWUHBWUWTGLP-VIFPVBQESA-N 1 0 236.340 3.149 10 0 BGAERO CCc1cnc(CN[C@H](C)c2cccs2)o1 ZINC000230630114 491130458 /nfs/dbraw/zinc/13/04/58/491130458.db2.gz IITWUHBWUWTGLP-SECBINFHSA-N 1 0 236.340 3.149 10 0 BGAERO CCC(C)(C)C[NH2+]CCc1ccccc1 ZINC000230635182 641073239 /nfs/dbraw/zinc/07/32/39/641073239.db2.gz JJGRMZRBKVUELE-UHFFFAOYSA-N 1 0 205.345 3.255 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]CCc2csc(C)n2)C1 ZINC000230640482 134516381 /nfs/dbraw/zinc/51/63/81/134516381.db2.gz HQNJRPGZWYDPGS-NEPJUHHUSA-N 1 0 238.400 3.162 10 0 BGAERO CC[C@H]1CC[C@H]([NH2+]CCc2csc(C)n2)C1 ZINC000230640489 134515860 /nfs/dbraw/zinc/51/58/60/134515860.db2.gz HQNJRPGZWYDPGS-RYUDHWBXSA-N 1 0 238.400 3.162 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CCc2cccc(OC)c2)C1 ZINC000230642687 259648553 /nfs/dbraw/zinc/64/85/53/259648553.db2.gz WOJLLGKYMMKGLU-UKRRQHHQSA-N 1 0 247.382 3.406 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CCC(C)(C)C)o1 ZINC000230645445 363315663 /nfs/dbraw/zinc/31/56/63/363315663.db2.gz JZXLJZCPEPPWPS-SNVBAGLBSA-N 1 0 210.321 3.070 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCC(C)(C)C)o1 ZINC000230645452 363316127 /nfs/dbraw/zinc/31/61/27/363316127.db2.gz JZXLJZCPEPPWPS-JTQLQIEISA-N 1 0 210.321 3.070 10 0 BGAERO CCCCCC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000230645523 644525454 /nfs/dbraw/zinc/52/54/54/644525454.db2.gz SMZUWUAZPTYVIP-NSHDSACASA-N 1 0 210.321 3.214 10 0 BGAERO CCCCCC[NH2+][C@H](C)c1ncc(C)o1 ZINC000230645530 641076362 /nfs/dbraw/zinc/07/63/62/641076362.db2.gz SMZUWUAZPTYVIP-LLVKDONJSA-N 1 0 210.321 3.214 10 0 BGAERO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230650082 636048067 /nfs/dbraw/zinc/04/80/67/636048067.db2.gz MIXLJCMIESFLGC-MCIONIFRSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230650095 641075583 /nfs/dbraw/zinc/07/55/83/641075583.db2.gz MIXLJCMIESFLGC-RDBSUJKOSA-N 1 0 241.419 3.198 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCOCC2CC2)CC(C)(C)C1 ZINC000230658197 388829106 /nfs/dbraw/zinc/82/91/06/388829106.db2.gz ATUGHYKKQUABBO-TZMCWYRMSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCOCC2CC2)CC(C)(C)C1 ZINC000230658203 259648631 /nfs/dbraw/zinc/64/86/31/259648631.db2.gz ATUGHYKKQUABBO-GXTWGEPZSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCOCC2CC2)CC(C)(C)C1 ZINC000230658207 388829101 /nfs/dbraw/zinc/82/91/01/388829101.db2.gz ATUGHYKKQUABBO-OCCSQVGLSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCOCC2CC2)CC(C)(C)C1 ZINC000230658212 388828992 /nfs/dbraw/zinc/82/89/92/388828992.db2.gz ATUGHYKKQUABBO-JSGCOSHPSA-N 1 0 239.403 3.217 10 0 BGAERO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230659780 388828873 /nfs/dbraw/zinc/82/88/73/388828873.db2.gz KNTIVRMCJYCIEC-NFAWXSAZSA-N 1 0 241.419 3.342 10 0 BGAERO CCC[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230659787 385748075 /nfs/dbraw/zinc/74/80/75/385748075.db2.gz KNTIVRMCJYCIEC-IPYPFGDCSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000230663489 641081544 /nfs/dbraw/zinc/08/15/44/641081544.db2.gz UDENCSKNFWQZGC-UKRRQHHQSA-N 1 0 217.356 3.255 10 0 BGAERO C[C@H]1CCC[C@@H]1C[NH2+]CCc1ccccc1 ZINC000230663493 641082125 /nfs/dbraw/zinc/08/21/25/641082125.db2.gz UDENCSKNFWQZGC-DZGCQCFKSA-N 1 0 217.356 3.255 10 0 BGAERO C[C@@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000230663496 641082506 /nfs/dbraw/zinc/08/25/06/641082506.db2.gz UDENCSKNFWQZGC-HIFRSBDPSA-N 1 0 217.356 3.255 10 0 BGAERO C[C@H]1CCC[C@H]1C[NH2+]CCc1ccccc1 ZINC000230663498 641083215 /nfs/dbraw/zinc/08/32/15/641083215.db2.gz UDENCSKNFWQZGC-ZFWWWQNUSA-N 1 0 217.356 3.255 10 0 BGAERO CCn1cccc1C[NH2+]C[C@H]1CCC[C@H]1C ZINC000230666944 536102635 /nfs/dbraw/zinc/10/26/35/536102635.db2.gz CYEHFWPERVPHHI-CHWSQXEVSA-N 1 0 220.360 3.034 10 0 BGAERO CC[C@@H]([NH2+]C1CC(OC)C1)c1ccc(F)cc1 ZINC000230673094 641078174 /nfs/dbraw/zinc/07/81/74/641078174.db2.gz IROSRXRRYXNMOI-JXQTWKCFSA-N 1 0 237.318 3.044 10 0 BGAERO CC[C@H]([NH2+]C1CC(OC)C1)c1ccc(F)cc1 ZINC000230673096 641077964 /nfs/dbraw/zinc/07/79/64/641077964.db2.gz IROSRXRRYXNMOI-RUXDESIVSA-N 1 0 237.318 3.044 10 0 BGAERO CCCc1ccc([C@@H](C)[NH2+]C2CC(OC)C2)cc1 ZINC000230673381 641079221 /nfs/dbraw/zinc/07/92/21/641079221.db2.gz DODZBGUSYPZLLG-UWTIGNOOSA-N 1 0 247.382 3.467 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+]C2CC(OC)C2)cc1 ZINC000230673385 641080170 /nfs/dbraw/zinc/08/01/70/641080170.db2.gz DODZBGUSYPZLLG-JQRITLKVSA-N 1 0 247.382 3.467 10 0 BGAERO COC1CC([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000230673665 357548532 /nfs/dbraw/zinc/54/85/32/357548532.db2.gz HYPFSEIBKAUSKX-NEQJSVFRSA-N 1 0 245.366 3.392 10 0 BGAERO COC1CC([NH2+][C@H]2CC[C@@H](C)c3ccccc32)C1 ZINC000230673670 357548513 /nfs/dbraw/zinc/54/85/13/357548513.db2.gz HYPFSEIBKAUSKX-OCLKLICZSA-N 1 0 245.366 3.392 10 0 BGAERO COC1CC([NH2+][C@@H]2CC[C@H](C)c3ccccc32)C1 ZINC000230673673 357548366 /nfs/dbraw/zinc/54/83/66/357548366.db2.gz HYPFSEIBKAUSKX-PIISCBOPSA-N 1 0 245.366 3.392 10 0 BGAERO COC1CC([NH2+][C@H]2CC[C@H](C)c3ccccc32)C1 ZINC000230673676 357548472 /nfs/dbraw/zinc/54/84/72/357548472.db2.gz HYPFSEIBKAUSKX-ITDKRANNSA-N 1 0 245.366 3.392 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]C2CC(OC)C2)cc1 ZINC000230673807 134520538 /nfs/dbraw/zinc/52/05/38/134520538.db2.gz HSIMOWCGTMNSID-VCANKDNSSA-N 1 0 233.355 3.077 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C2CC(OC)C2)cc1 ZINC000230673811 134520153 /nfs/dbraw/zinc/52/01/53/134520153.db2.gz HSIMOWCGTMNSID-QGLTVNCISA-N 1 0 233.355 3.077 10 0 BGAERO COC1CC([NH2+][C@@H]2CCCCc3ccccc32)C1 ZINC000230673910 358409206 /nfs/dbraw/zinc/40/92/06/358409206.db2.gz RSVVIUHQMZTKFV-ZBCRRDGASA-N 1 0 245.366 3.221 10 0 BGAERO COC1CC([NH2+][C@H]2CCCCc3ccccc32)C1 ZINC000230673915 358409029 /nfs/dbraw/zinc/40/90/29/358409029.db2.gz RSVVIUHQMZTKFV-XUJLQICISA-N 1 0 245.366 3.221 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]C2CC(OC)C2)s1 ZINC000230674309 641080588 /nfs/dbraw/zinc/08/05/88/641080588.db2.gz SOZMYCWJAQCCBS-KPPDAEKUSA-N 1 0 239.384 3.139 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C2CC(OC)C2)s1 ZINC000230674311 635488969 /nfs/dbraw/zinc/48/89/69/635488969.db2.gz SOZMYCWJAQCCBS-WHXUTIOJSA-N 1 0 239.384 3.139 10 0 BGAERO COC1CC([NH2+][C@@H](C)CCc2cccc(C)c2)C1 ZINC000230674510 641079550 /nfs/dbraw/zinc/07/95/50/641079550.db2.gz GQBYQOOWOLPIKN-JEYLPNPQSA-N 1 0 247.382 3.083 10 0 BGAERO COC1CC([NH2+][C@H](C)CCc2cccc(C)c2)C1 ZINC000230674512 641080841 /nfs/dbraw/zinc/08/08/41/641080841.db2.gz GQBYQOOWOLPIKN-IUDNXUCKSA-N 1 0 247.382 3.083 10 0 BGAERO COC1CC([NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000230674798 357548580 /nfs/dbraw/zinc/54/85/80/357548580.db2.gz RBCXHPXMCNTEKI-HSBZDZAISA-N 1 0 233.355 3.131 10 0 BGAERO COC1CC([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000230674801 134520766 /nfs/dbraw/zinc/52/07/66/134520766.db2.gz RBCXHPXMCNTEKI-IYXRBSQSSA-N 1 0 233.355 3.131 10 0 BGAERO COC1CC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)C1 ZINC000230674816 635488570 /nfs/dbraw/zinc/48/85/70/635488570.db2.gz FMHOMWPHZXXDAR-NFOMZHRRSA-N 1 0 247.382 3.440 10 0 BGAERO COC1CC([NH2+][C@H](C)c2cc(C)c(C)cc2C)C1 ZINC000230674819 635491008 /nfs/dbraw/zinc/49/10/08/635491008.db2.gz FMHOMWPHZXXDAR-WLYUNCDWSA-N 1 0 247.382 3.440 10 0 BGAERO COC1CC([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000230674825 641080652 /nfs/dbraw/zinc/08/06/52/641080652.db2.gz DWSIARKUGKWACH-HSBZDZAISA-N 1 0 233.355 3.131 10 0 BGAERO COC1CC([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000230674829 641079735 /nfs/dbraw/zinc/07/97/35/641079735.db2.gz DWSIARKUGKWACH-IYXRBSQSSA-N 1 0 233.355 3.131 10 0 BGAERO CCc1ccc([C@@H](CC)[NH2+]C2CC(OC)C2)cc1 ZINC000230675095 641079531 /nfs/dbraw/zinc/07/95/31/641079531.db2.gz DOKCLGLOSBZJGC-UYSNPLJNSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+]C2CC(OC)C2)cc1 ZINC000230675100 641080330 /nfs/dbraw/zinc/08/03/30/641080330.db2.gz DOKCLGLOSBZJGC-GPANFISMSA-N 1 0 247.382 3.467 10 0 BGAERO COC1CC([NH2+][C@@H](C)c2ccc(Cl)s2)C1 ZINC000230676029 363320048 /nfs/dbraw/zinc/32/00/48/363320048.db2.gz ITILFJRBBJXAMQ-UEJVZZJDSA-N 1 0 245.775 3.230 10 0 BGAERO COC1CC([NH2+][C@H](C)c2ccc(Cl)s2)C1 ZINC000230676033 363320327 /nfs/dbraw/zinc/32/03/27/363320327.db2.gz ITILFJRBBJXAMQ-AFPNSQJFSA-N 1 0 245.775 3.230 10 0 BGAERO COC1CC([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000230676058 357549065 /nfs/dbraw/zinc/54/90/65/357549065.db2.gz RAYPOCMOOUUZDB-GRTSSRMGSA-N 1 0 233.355 3.131 10 0 BGAERO COC1CC([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000230676061 357549479 /nfs/dbraw/zinc/54/94/79/357549479.db2.gz RAYPOCMOOUUZDB-LRVUVFPRSA-N 1 0 233.355 3.131 10 0 BGAERO COC1CC([NH2+][C@@H](C)c2ccc3c(c2)CCC3)C1 ZINC000230676122 641080978 /nfs/dbraw/zinc/08/09/78/641080978.db2.gz JPNHKWWHXWAINI-SOISORPOSA-N 1 0 245.366 3.003 10 0 BGAERO COC1CC([NH2+][C@H](C)c2ccc3c(c2)CCC3)C1 ZINC000230676126 641080334 /nfs/dbraw/zinc/08/03/34/641080334.db2.gz JPNHKWWHXWAINI-VHWKEVPUSA-N 1 0 245.366 3.003 10 0 BGAERO CC(C)[C@@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230689568 357549778 /nfs/dbraw/zinc/54/97/78/357549778.db2.gz ZFVHNDDZJYLGAW-MGPQQGTHSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230689572 357549660 /nfs/dbraw/zinc/54/96/60/357549660.db2.gz ZFVHNDDZJYLGAW-MCIONIFRSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@@H](CCO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230689574 357550985 /nfs/dbraw/zinc/55/09/85/357550985.db2.gz ZFVHNDDZJYLGAW-HZSPNIEDSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@H](CCO)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000230689578 357550990 /nfs/dbraw/zinc/55/09/90/357550990.db2.gz ZFVHNDDZJYLGAW-RDBSUJKOSA-N 1 0 241.419 3.198 10 0 BGAERO COC1CC([NH2+]C2CC(c3ccc(C)cc3)C2)C1 ZINC000230690183 641086434 /nfs/dbraw/zinc/08/64/34/641086434.db2.gz UUQQVOMPAQBZIM-UHFFFAOYSA-N 1 0 245.366 3.008 10 0 BGAERO COC1CC([NH2+]Cc2ccc(CC(C)C)cc2)C1 ZINC000230690736 641088546 /nfs/dbraw/zinc/08/85/46/641088546.db2.gz MQBSGNONVFLICD-UHFFFAOYSA-N 1 0 247.382 3.152 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)o1 ZINC000230696938 357568527 /nfs/dbraw/zinc/56/85/27/357568527.db2.gz NAUHKNICLAQXJY-RSLMWUCJSA-N 1 0 236.359 3.458 10 0 BGAERO COC[C@H](C)[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230764895 491130703 /nfs/dbraw/zinc/13/07/03/491130703.db2.gz DXEQZRWYBAYGFQ-MELADBBJSA-N 1 0 227.392 3.216 10 0 BGAERO COC[C@H](C)[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230764899 491130716 /nfs/dbraw/zinc/13/07/16/491130716.db2.gz DXEQZRWYBAYGFQ-IHRRRGAJSA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000230774197 259324822 /nfs/dbraw/zinc/32/48/22/259324822.db2.gz QZSFXKYXDYIASR-CBBWQLFWSA-N 1 0 239.403 3.358 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H](CC(C)C)C1 ZINC000230775753 259324800 /nfs/dbraw/zinc/32/48/00/259324800.db2.gz HXGFVODDIGZREG-HZSPNIEDSA-N 1 0 227.392 3.216 10 0 BGAERO CO[C@H](C)C[NH2+][C@H]1CCC[C@@H](CC(C)C)C1 ZINC000230775757 388830990 /nfs/dbraw/zinc/83/09/90/388830990.db2.gz HXGFVODDIGZREG-RDBSUJKOSA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)C[C@@H]1CCC[C@@]2(C1)[NH2+]CCS2 ZINC000230791411 347331375 /nfs/dbraw/zinc/33/13/75/347331375.db2.gz JRHWNAKAYFUPIM-NWDGAFQWSA-N 1 0 213.390 3.255 10 0 BGAERO CC(C)C[C@H]1CCC[C@@]2(C1)[NH2+]CCS2 ZINC000230791414 347331149 /nfs/dbraw/zinc/33/11/49/347331149.db2.gz JRHWNAKAYFUPIM-VXGBXAGGSA-N 1 0 213.390 3.255 10 0 BGAERO CC(C)C[C@@H]1CCC[C@]2(C1)[NH2+]CCS2 ZINC000230791415 347331076 /nfs/dbraw/zinc/33/10/76/347331076.db2.gz JRHWNAKAYFUPIM-RYUDHWBXSA-N 1 0 213.390 3.255 10 0 BGAERO CC(C)C[C@H]1CCC[C@]2(C1)[NH2+]CCS2 ZINC000230791418 347331383 /nfs/dbraw/zinc/33/13/83/347331383.db2.gz JRHWNAKAYFUPIM-NEPJUHHUSA-N 1 0 213.390 3.255 10 0 BGAERO CC(C)C[C@@H]1CCC[C@@]([NH3+])(C(F)F)C1 ZINC000230791952 347330958 /nfs/dbraw/zinc/33/09/58/347330958.db2.gz KCUXUJRATXVYPV-ONGXEEELSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)C[C@H]1CCC[C@@]([NH3+])(C(F)F)C1 ZINC000230791955 347331057 /nfs/dbraw/zinc/33/10/57/347331057.db2.gz KCUXUJRATXVYPV-KOLCDFICSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)C[C@@H]1CCC[C@]([NH3+])(C(F)F)C1 ZINC000230791957 347331331 /nfs/dbraw/zinc/33/13/31/347331331.db2.gz KCUXUJRATXVYPV-GXSJLCMTSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)C[C@H]1CCC[C@]([NH3+])(C(F)F)C1 ZINC000230791960 347331100 /nfs/dbraw/zinc/33/11/00/347331100.db2.gz KCUXUJRATXVYPV-MWLCHTKSSA-N 1 0 205.292 3.185 10 0 BGAERO COCCC(C)(C)C[NH2+]CC1CCC(C)CC1 ZINC000230862984 134534274 /nfs/dbraw/zinc/53/42/74/134534274.db2.gz YTQUJKAGJQEXCB-UHFFFAOYSA-N 1 0 241.419 3.465 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1cncc(F)c1 ZINC000230938067 179339417 /nfs/dbraw/zinc/33/94/17/179339417.db2.gz QDIZBIAKUWLGQG-LBPRGKRZSA-N 1 0 244.313 3.380 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]Cc2cncc(F)c2)c1 ZINC000230942296 259650597 /nfs/dbraw/zinc/65/05/97/259650597.db2.gz WIXYDRMHAIQICY-LBPRGKRZSA-N 1 0 244.313 3.380 10 0 BGAERO CCC(C)(CC)NC1=[NH+][C@@H](C)CCS1 ZINC000230965750 385954280 /nfs/dbraw/zinc/95/42/80/385954280.db2.gz PLJTYXTYRNVSLS-VIFPVBQESA-N 1 0 214.378 3.036 10 0 BGAERO CCC(C)(CC)NC1=[NH+][C@H](C)CCS1 ZINC000230965753 385954377 /nfs/dbraw/zinc/95/43/77/385954377.db2.gz PLJTYXTYRNVSLS-SECBINFHSA-N 1 0 214.378 3.036 10 0 BGAERO Cc1ccccc1[C@H](C)NCC[NH2+]C(C)(C)C ZINC000230969313 641120604 /nfs/dbraw/zinc/12/06/04/641120604.db2.gz LMWUBEUWEKOXJP-ZDUSSCGKSA-N 1 0 234.387 3.034 10 0 BGAERO CC(C)(C)[NH2+]CCN[C@@H]1CCCc2ccccc21 ZINC000230969389 357586178 /nfs/dbraw/zinc/58/61/78/357586178.db2.gz VSXQGSBGFIWLKQ-OAHLLOKOSA-N 1 0 246.398 3.042 10 0 BGAERO CC(C)(C)[NH2+]CCN[C@H]1CCCc2ccccc21 ZINC000230969392 357585843 /nfs/dbraw/zinc/58/58/43/357585843.db2.gz VSXQGSBGFIWLKQ-HNNXBMFYSA-N 1 0 246.398 3.042 10 0 BGAERO Cc1cccc([C@@H](C)NCC[NH2+]C(C)(C)C)c1 ZINC000230975413 384490335 /nfs/dbraw/zinc/49/03/35/384490335.db2.gz NCQFRFMNAQNZDV-CYBMUJFWSA-N 1 0 234.387 3.034 10 0 BGAERO Cc1cccc([C@H](C)NCC[NH2+]C(C)(C)C)c1 ZINC000230975417 388832781 /nfs/dbraw/zinc/83/27/81/388832781.db2.gz NCQFRFMNAQNZDV-ZDUSSCGKSA-N 1 0 234.387 3.034 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)C1 ZINC000230991708 491131111 /nfs/dbraw/zinc/13/11/11/491131111.db2.gz MKUULAQBLJWFLQ-LXTVHRRPSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000230992829 491131119 /nfs/dbraw/zinc/13/11/19/491131119.db2.gz WWDAWYGAGIBHNW-KFWWJZLASA-N 1 0 239.403 3.360 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1 ZINC000230992833 491131156 /nfs/dbraw/zinc/13/11/56/491131156.db2.gz WWDAWYGAGIBHNW-ILXRZTDVSA-N 1 0 239.403 3.360 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C(C)C)C1 ZINC000230993096 388833473 /nfs/dbraw/zinc/83/34/73/388833473.db2.gz SLMUJELXVJKBHY-RBSFLKMASA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@H]1CCC[C@@H](C(C)C)C1 ZINC000230993101 388833399 /nfs/dbraw/zinc/83/33/99/388833399.db2.gz SLMUJELXVJKBHY-QLFBSQMISA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)C1 ZINC000230993941 388833887 /nfs/dbraw/zinc/83/38/87/388833887.db2.gz PCMSKMFZIOBJRT-BARDWOONSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H]1CCC[C@@]2(C1)[NH2+]CCCS2 ZINC000231017051 350570113 /nfs/dbraw/zinc/57/01/13/350570113.db2.gz HDGFSHSPXUMMMB-VXGBXAGGSA-N 1 0 213.390 3.255 10 0 BGAERO CC(C)[C@H]1CCC[C@@]2(C1)[NH2+]CCCS2 ZINC000231017054 350570230 /nfs/dbraw/zinc/57/02/30/350570230.db2.gz HDGFSHSPXUMMMB-NWDGAFQWSA-N 1 0 213.390 3.255 10 0 BGAERO CC(C)[C@@H]1CCC[C@]2(C1)[NH2+]CCCS2 ZINC000231017057 350570286 /nfs/dbraw/zinc/57/02/86/350570286.db2.gz HDGFSHSPXUMMMB-NEPJUHHUSA-N 1 0 213.390 3.255 10 0 BGAERO CC(C)[C@H]1CCC[C@]2(C1)[NH2+]CCCS2 ZINC000231017059 350570546 /nfs/dbraw/zinc/57/05/46/350570546.db2.gz HDGFSHSPXUMMMB-RYUDHWBXSA-N 1 0 213.390 3.255 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)Cc1ccc(F)c(Cl)c1 ZINC000231058198 371988527 /nfs/dbraw/zinc/98/85/27/371988527.db2.gz LQOUFMHBYHAIIC-JGVFFNPUSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)Cc1ccc(F)c(Cl)c1 ZINC000231058200 371988627 /nfs/dbraw/zinc/98/86/27/371988627.db2.gz LQOUFMHBYHAIIC-YUMQZZPRSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Cc1ccc(F)c(Cl)c1 ZINC000231058202 371988319 /nfs/dbraw/zinc/98/83/19/371988319.db2.gz LQOUFMHBYHAIIC-HTQZYQBOSA-N 1 0 215.699 3.005 10 0 BGAERO C[C@H](Cc1ccc(F)c(Cl)c1)[C@H](C)[NH3+] ZINC000231058204 371989158 /nfs/dbraw/zinc/98/91/58/371989158.db2.gz LQOUFMHBYHAIIC-SFYZADRCSA-N 1 0 215.699 3.005 10 0 BGAERO CC(C)[C@@H]1CCSC(NCc2ccccc2)=[NH+]1 ZINC000231091610 358741668 /nfs/dbraw/zinc/74/16/68/358741668.db2.gz DYFBLRVVZFMQOW-ZDUSSCGKSA-N 1 0 248.395 3.294 10 0 BGAERO CC(C)[C@H]1CCSC(NCc2ccccc2)=[NH+]1 ZINC000231091613 358741973 /nfs/dbraw/zinc/74/19/73/358741973.db2.gz DYFBLRVVZFMQOW-CYBMUJFWSA-N 1 0 248.395 3.294 10 0 BGAERO CC1CCC(C[NH2+]Cc2cccc(CO)c2)CC1 ZINC000231329605 357612288 /nfs/dbraw/zinc/61/22/88/357612288.db2.gz CMBGNGONVZUCRS-UHFFFAOYSA-N 1 0 247.382 3.095 10 0 BGAERO CCC(CC)[C@@H](O)C[NH2+]CC1CCC(C)CC1 ZINC000231329625 535119596 /nfs/dbraw/zinc/11/95/96/535119596.db2.gz HEYPQIYTUDFQNC-PIMMBPRGSA-N 1 0 241.419 3.199 10 0 BGAERO CCC(CC)[C@H](O)C[NH2+]CC1CCC(C)CC1 ZINC000231329629 134541768 /nfs/dbraw/zinc/54/17/68/134541768.db2.gz HEYPQIYTUDFQNC-SSDMNJCBSA-N 1 0 241.419 3.199 10 0 BGAERO CC1CCC(C[NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000231329685 357612970 /nfs/dbraw/zinc/61/29/70/357612970.db2.gz RDASEASDGPTAQR-RUXDESIVSA-N 1 0 241.419 3.199 10 0 BGAERO CC1CCC(C[NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000231329688 134541986 /nfs/dbraw/zinc/54/19/86/134541986.db2.gz RDASEASDGPTAQR-JXQTWKCFSA-N 1 0 241.419 3.199 10 0 BGAERO CC1CCC(C[NH2+]CC2(C)CCOCC2)CC1 ZINC000231329814 357612689 /nfs/dbraw/zinc/61/26/89/357612689.db2.gz BOPKAZCSHUQSRN-UHFFFAOYSA-N 1 0 239.403 3.219 10 0 BGAERO c1ccc(CNC2=[NH+][C@@H]3CCC[C@@H]3CS2)cc1 ZINC000231331729 359815238 /nfs/dbraw/zinc/81/52/38/359815238.db2.gz RKUZDYDEEMOIIG-CHWSQXEVSA-N 1 0 246.379 3.048 10 0 BGAERO c1ccc(CNC2=[NH+][C@@H]3CCC[C@H]3CS2)cc1 ZINC000231331735 359815225 /nfs/dbraw/zinc/81/52/25/359815225.db2.gz RKUZDYDEEMOIIG-QWHCGFSZSA-N 1 0 246.379 3.048 10 0 BGAERO C#[N+]c1ccc(C(=O)OC(C)(C)C)cc1 ZINC000231416212 344741696 /nfs/dbraw/zinc/74/16/96/344741696.db2.gz RGQKDBWDGMIOCX-UHFFFAOYSA-N 1 0 203.241 3.193 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C2CCCCCC2)o1 ZINC000231526719 357608831 /nfs/dbraw/zinc/60/88/31/357608831.db2.gz XRGCRCQBOMZYAQ-LLVKDONJSA-N 1 0 222.332 3.356 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C2CCCCCC2)o1 ZINC000231526739 357608944 /nfs/dbraw/zinc/60/89/44/357608944.db2.gz XRGCRCQBOMZYAQ-NSHDSACASA-N 1 0 222.332 3.356 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C2C[C@H](C)C[C@@H](C)C2)o1 ZINC000231527026 357609158 /nfs/dbraw/zinc/60/91/58/357609158.db2.gz OZPUECQCKJTEAC-FOGDFJRCSA-N 1 0 236.359 3.458 10 0 BGAERO CCC(CC)C[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231528978 363344813 /nfs/dbraw/zinc/34/48/13/363344813.db2.gz XXQRXUMELHYZKJ-JTQLQIEISA-N 1 0 210.321 3.070 10 0 BGAERO CCC(CC)C[NH2+][C@H](C)c1ncc(C)o1 ZINC000231528998 363344005 /nfs/dbraw/zinc/34/40/05/363344005.db2.gz XXQRXUMELHYZKJ-SNVBAGLBSA-N 1 0 210.321 3.070 10 0 BGAERO C[N@H+](CCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000231669507 353642061 /nfs/dbraw/zinc/64/20/61/353642061.db2.gz AVHFFMOUQNLLPA-OAHLLOKOSA-N 1 0 238.419 3.031 10 0 BGAERO C[N@H+](CCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000231669510 353642573 /nfs/dbraw/zinc/64/25/73/353642573.db2.gz AVHFFMOUQNLLPA-HNNXBMFYSA-N 1 0 238.419 3.031 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000231673460 259653062 /nfs/dbraw/zinc/65/30/62/259653062.db2.gz VQXIZKPGOBRKAF-ABAIWWIYSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000231673462 388839439 /nfs/dbraw/zinc/83/94/39/388839439.db2.gz VQXIZKPGOBRKAF-NHYWBVRUSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000231673466 388839389 /nfs/dbraw/zinc/83/93/89/388839389.db2.gz VQXIZKPGOBRKAF-IAQYHMDHSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cccc2[nH]ccc21 ZINC000231673469 388838962 /nfs/dbraw/zinc/83/89/62/388838962.db2.gz VQXIZKPGOBRKAF-XHDPSFHLSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccccc1OCC ZINC000231674327 259328309 /nfs/dbraw/zinc/32/83/09/259328309.db2.gz FMIQVUZEHAFBEA-TZMCWYRMSA-N 1 0 233.355 3.364 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OCC)c1 ZINC000231674554 388838834 /nfs/dbraw/zinc/83/88/34/388838834.db2.gz OGHBTJHQDBPUBG-UKRRQHHQSA-N 1 0 233.355 3.364 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(COC)cc1 ZINC000231674740 388839699 /nfs/dbraw/zinc/83/96/99/388839699.db2.gz SNLHUHHXIGNMOD-HUUCEWRRSA-N 1 0 233.355 3.111 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OCC)cc1 ZINC000231674784 259652959 /nfs/dbraw/zinc/65/29/59/259652959.db2.gz JQTMGTIYTVBGKN-UKRRQHHQSA-N 1 0 233.355 3.364 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)c(F)c(F)c1 ZINC000231675264 259328283 /nfs/dbraw/zinc/32/82/83/259328283.db2.gz ZZWWOTMOPHOHGI-BXKDBHETSA-N 1 0 243.272 3.382 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(COC)c1 ZINC000231675378 169442469 /nfs/dbraw/zinc/44/24/69/169442469.db2.gz RPKWDGPEZRIYJB-HUUCEWRRSA-N 1 0 233.355 3.111 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000231676082 259653060 /nfs/dbraw/zinc/65/30/60/259653060.db2.gz CTRGFXWQPIIKPW-OCCSQVGLSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000231676086 388839271 /nfs/dbraw/zinc/83/92/71/388839271.db2.gz CTRGFXWQPIIKPW-JSGCOSHPSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000231676091 388839823 /nfs/dbraw/zinc/83/98/23/388839823.db2.gz CTRGFXWQPIIKPW-TZMCWYRMSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cccc2cc[nH]c21 ZINC000231676094 259652982 /nfs/dbraw/zinc/65/29/82/259652982.db2.gz CTRGFXWQPIIKPW-GXTWGEPZSA-N 1 0 228.339 3.446 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C)o1 ZINC000231739924 357624123 /nfs/dbraw/zinc/62/41/23/357624123.db2.gz WAPLZAJGHYFTCK-XRRVDJEJSA-N 1 0 236.359 3.458 10 0 BGAERO C[C@@H]([NH3+])/C=C/c1cccc(Cl)c1Cl ZINC000231750424 397943288 /nfs/dbraw/zinc/94/32/88/397943288.db2.gz UCVQPEKTKOCPFD-WEWAHIQMSA-N 1 0 216.111 3.354 10 0 BGAERO C[C@H]([NH3+])/C=C/c1cccc(Cl)c1Cl ZINC000231750428 397943685 /nfs/dbraw/zinc/94/36/85/397943685.db2.gz UCVQPEKTKOCPFD-XPPMVYLVSA-N 1 0 216.111 3.354 10 0 BGAERO Cc1ccc(/C=C/[C@@H](C)[NH3+])c(Br)c1 ZINC000231750738 397943598 /nfs/dbraw/zinc/94/35/98/397943598.db2.gz UDFUWLJAQQNUBR-OTQAPUNGSA-N 1 0 240.144 3.118 10 0 BGAERO Cc1ccc(/C=C/[C@H](C)[NH3+])c(Br)c1 ZINC000231750742 397943476 /nfs/dbraw/zinc/94/34/76/397943476.db2.gz UDFUWLJAQQNUBR-DNQSNQRASA-N 1 0 240.144 3.118 10 0 BGAERO C[C@@H]([NH3+])/C=C/c1cc(Cl)cc(Cl)c1 ZINC000231750931 397944383 /nfs/dbraw/zinc/94/43/83/397944383.db2.gz WZIKVRKGMBFJIT-TYWZFMJISA-N 1 0 216.111 3.354 10 0 BGAERO C[C@H]([NH3+])/C=C/c1cc(Cl)cc(Cl)c1 ZINC000231750935 397944100 /nfs/dbraw/zinc/94/41/00/397944100.db2.gz WZIKVRKGMBFJIT-AIYRYJHASA-N 1 0 216.111 3.354 10 0 BGAERO C[C@@H]([NH3+])/C=C/c1c(Cl)cccc1Cl ZINC000231751433 351302469 /nfs/dbraw/zinc/30/24/69/351302469.db2.gz IMQAUKOXUGCTDC-WEWAHIQMSA-N 1 0 216.111 3.354 10 0 BGAERO C[C@H]([NH3+])/C=C/c1c(Cl)cccc1Cl ZINC000231751437 351302682 /nfs/dbraw/zinc/30/26/82/351302682.db2.gz IMQAUKOXUGCTDC-XPPMVYLVSA-N 1 0 216.111 3.354 10 0 BGAERO Cc1ccc(/C=C/[C@@H](C)[NH3+])cc1Br ZINC000231751661 353649744 /nfs/dbraw/zinc/64/97/44/353649744.db2.gz IQXDRTLWXMAXRI-OTQAPUNGSA-N 1 0 240.144 3.118 10 0 BGAERO Cc1ccc(/C=C/[C@H](C)[NH3+])cc1Br ZINC000231751665 351303514 /nfs/dbraw/zinc/30/35/14/351303514.db2.gz IQXDRTLWXMAXRI-DNQSNQRASA-N 1 0 240.144 3.118 10 0 BGAERO Cc1sc(/C=C/[C@@H](C)[NH3+])cc1Br ZINC000231751877 351303548 /nfs/dbraw/zinc/30/35/48/351303548.db2.gz NDLUFLFNVBPDCS-FCJGRKLLSA-N 1 0 246.173 3.179 10 0 BGAERO Cc1sc(/C=C/[C@H](C)[NH3+])cc1Br ZINC000231751879 351303592 /nfs/dbraw/zinc/30/35/92/351303592.db2.gz NDLUFLFNVBPDCS-YUDCMIJISA-N 1 0 246.173 3.179 10 0 BGAERO Cc1cc(/C=C/[C@@H](C)[NH3+])ccc1Br ZINC000231752162 351303460 /nfs/dbraw/zinc/30/34/60/351303460.db2.gz OEZDKJHUIYWPSH-CDAZIORVSA-N 1 0 240.144 3.118 10 0 BGAERO Cc1cc(/C=C/[C@H](C)[NH3+])ccc1Br ZINC000231752166 351304355 /nfs/dbraw/zinc/30/43/55/351304355.db2.gz OEZDKJHUIYWPSH-NWALNABHSA-N 1 0 240.144 3.118 10 0 BGAERO C/C(=C\c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000231752585 351304314 /nfs/dbraw/zinc/30/43/14/351304314.db2.gz PZFXWOWWRFQPRU-XUTFHDRNSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C\c1cc(Br)cs1)[C@H](C)[NH3+] ZINC000231752589 351304846 /nfs/dbraw/zinc/30/48/46/351304846.db2.gz PZFXWOWWRFQPRU-ZAXDUSRUSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C\c1cccc(Br)c1)[C@@H](C)[NH3+] ZINC000231753227 353649911 /nfs/dbraw/zinc/64/99/11/353649911.db2.gz DNIMSCWBYAMTDM-BNICOGTQSA-N 1 0 240.144 3.200 10 0 BGAERO C/C(=C\c1cccc(Br)c1)[C@H](C)[NH3+] ZINC000231753231 351305258 /nfs/dbraw/zinc/30/52/58/351305258.db2.gz DNIMSCWBYAMTDM-ORZBULNSSA-N 1 0 240.144 3.200 10 0 BGAERO C/C(=C\c1ccc(Br)s1)[C@@H](C)[NH3+] ZINC000231753861 411420277 /nfs/dbraw/zinc/42/02/77/411420277.db2.gz VUKNPFTZPABOCF-WEWAHIQMSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C\c1ccc(Br)s1)[C@H](C)[NH3+] ZINC000231753864 386518889 /nfs/dbraw/zinc/51/88/89/386518889.db2.gz VUKNPFTZPABOCF-XPPMVYLVSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C\c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000231753882 386517858 /nfs/dbraw/zinc/51/78/58/386517858.db2.gz YDBQIDIBGRDJKU-WEWAHIQMSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C\c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000231753885 386517904 /nfs/dbraw/zinc/51/79/04/386517904.db2.gz YDBQIDIBGRDJKU-XPPMVYLVSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C\c1sc(Cl)nc1Cl)[C@@H](C)[NH3+] ZINC000231754288 386519472 /nfs/dbraw/zinc/51/94/72/386519472.db2.gz PWLYJLWGEFSYOO-QLSVQJPWSA-N 1 0 237.155 3.200 10 0 BGAERO C/C(=C\c1sc(Cl)nc1Cl)[C@H](C)[NH3+] ZINC000231754290 386518145 /nfs/dbraw/zinc/51/81/45/386518145.db2.gz PWLYJLWGEFSYOO-BHYDHMSTSA-N 1 0 237.155 3.200 10 0 BGAERO C/C(=C\c1ccc(Br)cc1)[C@@H](C)[NH3+] ZINC000231754347 386518825 /nfs/dbraw/zinc/51/88/25/386518825.db2.gz HATNQSNDDMYMHG-FCZSHJHJSA-N 1 0 240.144 3.200 10 0 BGAERO C/C(=C\c1ccc(Br)cc1)[C@H](C)[NH3+] ZINC000231754349 386519480 /nfs/dbraw/zinc/51/94/80/386519480.db2.gz HATNQSNDDMYMHG-FLOXNTQESA-N 1 0 240.144 3.200 10 0 BGAERO C/C(=C\c1cc(Cl)cs1)[C@@H](C)[NH3+] ZINC000231754586 386517668 /nfs/dbraw/zinc/51/76/68/386517668.db2.gz GMSXDDOLYBZNOC-XUTFHDRNSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C\c1cc(Cl)cs1)[C@H](C)[NH3+] ZINC000231754589 386519547 /nfs/dbraw/zinc/51/95/47/386519547.db2.gz GMSXDDOLYBZNOC-ZAXDUSRUSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C\c1sccc1Br)[C@@H](C)[NH3+] ZINC000231754886 386519079 /nfs/dbraw/zinc/51/90/79/386519079.db2.gz RXILFNRUIASBQD-WEWAHIQMSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C\c1sccc1Br)[C@H](C)[NH3+] ZINC000231754889 386518205 /nfs/dbraw/zinc/51/82/05/386518205.db2.gz RXILFNRUIASBQD-XPPMVYLVSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C\c1cccc(Cl)c1F)[C@@H](C)[NH3+] ZINC000231754929 386519375 /nfs/dbraw/zinc/51/93/75/386519375.db2.gz OMQAMXMHVSGOFZ-HYDMIIDASA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C\c1cccc(Cl)c1F)[C@H](C)[NH3+] ZINC000231754932 386519129 /nfs/dbraw/zinc/51/91/29/386519129.db2.gz OMQAMXMHVSGOFZ-CZEYKFRCSA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C\c1cc(Cl)ccc1F)[C@@H](C)[NH3+] ZINC000231754936 386518151 /nfs/dbraw/zinc/51/81/51/386518151.db2.gz FBHNTOGPUJWDJT-WVXIBAHESA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C\c1cc(Cl)ccc1F)[C@H](C)[NH3+] ZINC000231754938 386518020 /nfs/dbraw/zinc/51/80/20/386518020.db2.gz FBHNTOGPUJWDJT-IVGLGHLBSA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C\c1ccccc1Br)[C@@H](C)[NH3+] ZINC000231754948 386517885 /nfs/dbraw/zinc/51/78/85/386517885.db2.gz HSOFUCPYRNENDW-FCZSHJHJSA-N 1 0 240.144 3.200 10 0 BGAERO C/C(=C\c1ccccc1Br)[C@H](C)[NH3+] ZINC000231754950 386518704 /nfs/dbraw/zinc/51/87/04/386518704.db2.gz HSOFUCPYRNENDW-FLOXNTQESA-N 1 0 240.144 3.200 10 0 BGAERO C[NH2+][C@@H](C)/C=C/c1cc(Br)cs1 ZINC000231755187 386518730 /nfs/dbraw/zinc/51/87/30/386518730.db2.gz UPAWGEOHWDAFJU-SDLBARTOSA-N 1 0 246.173 3.132 10 0 BGAERO C[NH2+][C@H](C)/C=C/c1cc(Br)cs1 ZINC000231755190 386519537 /nfs/dbraw/zinc/51/95/37/386519537.db2.gz UPAWGEOHWDAFJU-KGGZQZJCSA-N 1 0 246.173 3.132 10 0 BGAERO C[NH2+][C@@H](C)/C(C)=C/c1ccccc1Cl ZINC000231763414 351317382 /nfs/dbraw/zinc/31/73/82/351317382.db2.gz YORLWSNXTIJFAZ-DDXVTDLHSA-N 1 0 209.720 3.351 10 0 BGAERO C[NH2+][C@H](C)/C(C)=C/c1ccccc1Cl ZINC000231763416 351317675 /nfs/dbraw/zinc/31/76/75/351317675.db2.gz YORLWSNXTIJFAZ-AAXQSMANSA-N 1 0 209.720 3.351 10 0 BGAERO [NH2+]=C1CCCN1c1cc(F)ccc1Cl ZINC000231821318 385728195 /nfs/dbraw/zinc/72/81/95/385728195.db2.gz QVXKSWBXDABFKG-UHFFFAOYSA-N 1 0 212.655 3.057 10 0 BGAERO CCC(=[NH2+])Nc1cc(F)ccc1Cl ZINC000231835388 351399482 /nfs/dbraw/zinc/39/94/82/351399482.db2.gz XVMDQDFSYCXPFO-UHFFFAOYSA-N 1 0 200.644 3.278 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCC(C)C)o1 ZINC000231900950 357639825 /nfs/dbraw/zinc/63/98/25/357639825.db2.gz XOCLAKVJUYAHFQ-CMPLNLGQSA-N 1 0 224.348 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCC(C)C)o1 ZINC000231900951 357639869 /nfs/dbraw/zinc/63/98/69/357639869.db2.gz XOCLAKVJUYAHFQ-JQWIXIFHSA-N 1 0 224.348 3.458 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)CCC(C)C)o1 ZINC000231900955 488117559 /nfs/dbraw/zinc/11/75/59/488117559.db2.gz XOCLAKVJUYAHFQ-ZYHUDNBSSA-N 1 0 224.348 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CCC(C)C)o1 ZINC000231900959 357639815 /nfs/dbraw/zinc/63/98/15/357639815.db2.gz XOCLAKVJUYAHFQ-PWSUYJOCSA-N 1 0 224.348 3.458 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CC2CCC2)o1 ZINC000231900978 538107777 /nfs/dbraw/zinc/10/77/77/538107777.db2.gz KOOACUHOOZVHQK-GXSJLCMTSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CC2CCC2)o1 ZINC000231900981 538107833 /nfs/dbraw/zinc/10/78/33/538107833.db2.gz KOOACUHOOZVHQK-ONGXEEELSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)CC2CCC2)o1 ZINC000231900985 538107620 /nfs/dbraw/zinc/10/76/20/538107620.db2.gz KOOACUHOOZVHQK-MWLCHTKSSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CC2CCC2)o1 ZINC000231900988 538107628 /nfs/dbraw/zinc/10/76/28/538107628.db2.gz KOOACUHOOZVHQK-KOLCDFICSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCc2ccco2)o1 ZINC000231901028 538107705 /nfs/dbraw/zinc/10/77/05/538107705.db2.gz JWCXRNVWOJBBKF-CMPLNLGQSA-N 1 0 248.326 3.248 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCc2ccco2)o1 ZINC000231901031 538107915 /nfs/dbraw/zinc/10/79/15/538107915.db2.gz JWCXRNVWOJBBKF-JQWIXIFHSA-N 1 0 248.326 3.248 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)CCc2ccco2)o1 ZINC000231901033 538107632 /nfs/dbraw/zinc/10/76/32/538107632.db2.gz JWCXRNVWOJBBKF-ZYHUDNBSSA-N 1 0 248.326 3.248 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CCc2ccco2)o1 ZINC000231901036 538107752 /nfs/dbraw/zinc/10/77/52/538107752.db2.gz JWCXRNVWOJBBKF-PWSUYJOCSA-N 1 0 248.326 3.248 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231901089 363357174 /nfs/dbraw/zinc/35/71/74/363357174.db2.gz BSILZEHTFQSONW-KOLCDFICSA-N 1 0 210.321 3.212 10 0 BGAERO CCCC[C@H](C)[NH2+][C@@H](C)c1ncc(C)o1 ZINC000231901093 363357690 /nfs/dbraw/zinc/35/76/90/363357690.db2.gz BSILZEHTFQSONW-ONGXEEELSA-N 1 0 210.321 3.212 10 0 BGAERO CCCC[C@@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231901095 363357003 /nfs/dbraw/zinc/35/70/03/363357003.db2.gz BSILZEHTFQSONW-MWLCHTKSSA-N 1 0 210.321 3.212 10 0 BGAERO CCCC[C@H](C)[NH2+][C@H](C)c1ncc(C)o1 ZINC000231901098 363357092 /nfs/dbraw/zinc/35/70/92/363357092.db2.gz BSILZEHTFQSONW-GXSJLCMTSA-N 1 0 210.321 3.212 10 0 BGAERO CSC[C@@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000231987088 351494437 /nfs/dbraw/zinc/49/44/37/351494437.db2.gz CJCZUSFLZYNNAH-SNVBAGLBSA-N 1 0 215.749 3.011 10 0 BGAERO CSC[C@H]([NH3+])c1ccc(C)c(Cl)c1 ZINC000231987091 351494384 /nfs/dbraw/zinc/49/43/84/351494384.db2.gz CJCZUSFLZYNNAH-JTQLQIEISA-N 1 0 215.749 3.011 10 0 BGAERO Cc1ccc([C@@]2(C)CCC[NH2+]2)cc1Cl ZINC000231988450 351494085 /nfs/dbraw/zinc/49/40/85/351494085.db2.gz DUZMSUINMQVQBE-GFCCVEGCSA-N 1 0 209.720 3.247 10 0 BGAERO Cc1ccc([C@]2(C)CCC[NH2+]2)cc1Cl ZINC000231988453 351494059 /nfs/dbraw/zinc/49/40/59/351494059.db2.gz DUZMSUINMQVQBE-LBPRGKRZSA-N 1 0 209.720 3.247 10 0 BGAERO Cc1ccc([C@@H]([NH3+])C2(C)CC2)cc1Cl ZINC000231989731 351494467 /nfs/dbraw/zinc/49/44/67/351494467.db2.gz MYTNQXRSRQEREH-LLVKDONJSA-N 1 0 209.720 3.448 10 0 BGAERO Cc1ccc([C@H]([NH3+])C2(C)CC2)cc1Cl ZINC000231989734 351494303 /nfs/dbraw/zinc/49/43/03/351494303.db2.gz MYTNQXRSRQEREH-NSHDSACASA-N 1 0 209.720 3.448 10 0 BGAERO Cc1ccc(C2=C[C@@H]([NH3+])CC2)cc1Cl ZINC000231993592 397988418 /nfs/dbraw/zinc/98/84/18/397988418.db2.gz VBDMFKNMQQIXAC-NSHDSACASA-N 1 0 207.704 3.153 10 0 BGAERO Cc1ccc(C2=C[C@H]([NH3+])CC2)cc1Cl ZINC000231993594 397988076 /nfs/dbraw/zinc/98/80/76/397988076.db2.gz VBDMFKNMQQIXAC-LLVKDONJSA-N 1 0 207.704 3.153 10 0 BGAERO Cc1ccc([C@@H]2CC[C@@H]2C[NH3+])cc1Cl ZINC000231994466 397988557 /nfs/dbraw/zinc/98/85/57/397988557.db2.gz MLIXCSWLSWLQRC-MNOVXSKESA-N 1 0 209.720 3.101 10 0 BGAERO Cc1ccc([C@H]2CC[C@@H]2C[NH3+])cc1Cl ZINC000231994468 397988453 /nfs/dbraw/zinc/98/84/53/397988453.db2.gz MLIXCSWLSWLQRC-GHMZBOCLSA-N 1 0 209.720 3.101 10 0 BGAERO Cc1ccc([C@@H]2CC[C@H]2C[NH3+])cc1Cl ZINC000231994471 397988331 /nfs/dbraw/zinc/98/83/31/397988331.db2.gz MLIXCSWLSWLQRC-QWRGUYRKSA-N 1 0 209.720 3.101 10 0 BGAERO Cc1ccc([C@H]2CC[C@H]2C[NH3+])cc1Cl ZINC000231994474 397988552 /nfs/dbraw/zinc/98/85/52/397988552.db2.gz MLIXCSWLSWLQRC-WDEREUQCSA-N 1 0 209.720 3.101 10 0 BGAERO CC[C@@](F)(C[NH3+])c1ccc(C)c(Cl)c1 ZINC000231995393 397988715 /nfs/dbraw/zinc/98/87/15/397988715.db2.gz CXRYLWMNZODXII-LLVKDONJSA-N 1 0 215.699 3.182 10 0 BGAERO CC[C@](F)(C[NH3+])c1ccc(C)c(Cl)c1 ZINC000231995396 397988509 /nfs/dbraw/zinc/98/85/09/397988509.db2.gz CXRYLWMNZODXII-NSHDSACASA-N 1 0 215.699 3.182 10 0 BGAERO Cc1ccc([C@@H](F)CC[NH3+])cc1Cl ZINC000231995433 397988258 /nfs/dbraw/zinc/98/82/58/397988258.db2.gz IEYPOEYRZJZKPT-JTQLQIEISA-N 1 0 201.672 3.008 10 0 BGAERO Cc1ccc([C@H](F)CC[NH3+])cc1Cl ZINC000231995434 397988373 /nfs/dbraw/zinc/98/83/73/397988373.db2.gz IEYPOEYRZJZKPT-SNVBAGLBSA-N 1 0 201.672 3.008 10 0 BGAERO C/C(=C\Cl)C[NH2+]C1(C)CCCCC1 ZINC000231999115 351501722 /nfs/dbraw/zinc/50/17/22/351501722.db2.gz LTGDISWHGWPDNO-CSKARUKUSA-N 1 0 201.741 3.441 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]CCc1ccccc1 ZINC000232013572 641230771 /nfs/dbraw/zinc/23/07/71/641230771.db2.gz IMRCMUZUCPNBBL-KGLIPLIRSA-N 1 0 203.329 3.007 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]CCc1ccccc1 ZINC000232013574 641229364 /nfs/dbraw/zinc/22/93/64/641229364.db2.gz IMRCMUZUCPNBBL-KBPBESRZSA-N 1 0 203.329 3.007 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]CCc1ccccc1 ZINC000232013577 641230130 /nfs/dbraw/zinc/23/01/30/641230130.db2.gz IMRCMUZUCPNBBL-ZIAGYGMSSA-N 1 0 203.329 3.007 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]CCc1ccccc1 ZINC000232013579 641229649 /nfs/dbraw/zinc/22/96/49/641229649.db2.gz IMRCMUZUCPNBBL-UONOGXRCSA-N 1 0 203.329 3.007 10 0 BGAERO CCC1(C[NH2+]CCc2ccccc2)CC1 ZINC000232014954 641230582 /nfs/dbraw/zinc/23/05/82/641230582.db2.gz JBXYBVYXSIMILV-UHFFFAOYSA-N 1 0 203.329 3.009 10 0 BGAERO CCCC1(C[NH2+]CCc2ccccc2)CC1 ZINC000232017820 641229525 /nfs/dbraw/zinc/22/95/25/641229525.db2.gz LTTXSUUSVQHWMJ-UHFFFAOYSA-N 1 0 217.356 3.399 10 0 BGAERO c1ccc(CC[NH2+]CC2(C3CC3)CC2)cc1 ZINC000232017870 641232912 /nfs/dbraw/zinc/23/29/12/641232912.db2.gz HKSPHQUEALIHOA-UHFFFAOYSA-N 1 0 215.340 3.009 10 0 BGAERO c1cc2ccncc2c([C@@H]2CCCCC[NH2+]2)c1 ZINC000232045172 372095848 /nfs/dbraw/zinc/09/58/48/372095848.db2.gz XHGYQSPZDPCRNW-HNNXBMFYSA-N 1 0 226.323 3.440 10 0 BGAERO c1cc2ccncc2c([C@H]2CCCCC[NH2+]2)c1 ZINC000232045173 372095972 /nfs/dbraw/zinc/09/59/72/372095972.db2.gz XHGYQSPZDPCRNW-OAHLLOKOSA-N 1 0 226.323 3.440 10 0 BGAERO CC(=[NH2+])Nc1cc(C)c(Br)c(C)c1 ZINC000232054517 351605562 /nfs/dbraw/zinc/60/55/62/351605562.db2.gz NPHBTCOUKQKEFR-UHFFFAOYSA-N 1 0 241.132 3.475 10 0 BGAERO N#[N+]c1cc(F)c(Br)cc1F ZINC000232156331 351964628 /nfs/dbraw/zinc/96/46/28/351964628.db2.gz NOZQWMBNGIEHGY-UHFFFAOYSA-N 1 0 219.996 3.212 10 0 BGAERO Cc1ccc(Cl)c(NC2=[NH+]CCC2)c1 ZINC000232242392 352575946 /nfs/dbraw/zinc/57/59/46/352575946.db2.gz LZUQGAFYFNWCBE-UHFFFAOYSA-N 1 0 208.692 3.253 10 0 BGAERO Cc1ccc(Cl)c(N2CCCC2=[NH2+])c1 ZINC000232248942 352575954 /nfs/dbraw/zinc/57/59/54/352575954.db2.gz ZICGYMWPHGZGPA-UHFFFAOYSA-N 1 0 208.692 3.226 10 0 BGAERO Cc1ccc(Cl)c(NC(=[NH2+])C2CC2)c1 ZINC000232253798 352587918 /nfs/dbraw/zinc/58/79/18/352587918.db2.gz SYNRKXCQNXRHOA-UHFFFAOYSA-N 1 0 208.692 3.448 10 0 BGAERO CCC(=[NH2+])Nc1cc(F)ccc1Br ZINC000232253871 352583619 /nfs/dbraw/zinc/58/36/19/352583619.db2.gz AFXMTTRWJHILMK-UHFFFAOYSA-N 1 0 245.095 3.387 10 0 BGAERO CSc1ccccc1NC(=[NH2+])C(C)C ZINC000232278244 398164331 /nfs/dbraw/zinc/16/43/31/398164331.db2.gz JENLQIBSIQAJDZ-UHFFFAOYSA-N 1 0 208.330 3.454 10 0 BGAERO Oc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1 ZINC000232402707 352657109 /nfs/dbraw/zinc/65/71/09/352657109.db2.gz HIEBRWOPEBJIPX-INIZCTEOSA-N 1 0 239.318 3.169 10 0 BGAERO Oc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1 ZINC000232402710 352657413 /nfs/dbraw/zinc/65/74/13/352657413.db2.gz HIEBRWOPEBJIPX-MRXNPFEDSA-N 1 0 239.318 3.169 10 0 BGAERO C/C(=C/c1cc(Cl)ccc1Cl)C[NH3+] ZINC000232457333 398180967 /nfs/dbraw/zinc/18/09/67/398180967.db2.gz ANFPRTDQLBEBQA-DAXSKMNVSA-N 1 0 216.111 3.355 10 0 BGAERO CC(C)(C)Sc1c(F)cccc1C[NH3+] ZINC000232499372 352800015 /nfs/dbraw/zinc/80/00/15/352800015.db2.gz DGJPZHLPSDUHNF-UHFFFAOYSA-N 1 0 213.321 3.175 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C2CC(C(C)C)C2)o1 ZINC000232538828 357670481 /nfs/dbraw/zinc/67/04/81/357670481.db2.gz REUFRDPKQNVTCI-UNXYVOJBSA-N 1 0 222.332 3.068 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C2CC(C(C)C)C2)o1 ZINC000232539657 357670223 /nfs/dbraw/zinc/67/02/23/357670223.db2.gz REUFRDPKQNVTCI-VOMCLLRMSA-N 1 0 222.332 3.068 10 0 BGAERO CC(C)C1CC([NH2+][C@@H]2COc3ccccc32)C1 ZINC000232551400 388852516 /nfs/dbraw/zinc/85/25/16/388852516.db2.gz NSLVMAASNXSLBH-ORHYLEIMSA-N 1 0 231.339 3.144 10 0 BGAERO CC(C)C1CC([NH2+][C@H]2COc3ccccc32)C1 ZINC000232551513 259655490 /nfs/dbraw/zinc/65/54/90/259655490.db2.gz NSLVMAASNXSLBH-YIZWMMSDSA-N 1 0 231.339 3.144 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1ccoc1Br ZINC000232559172 353129875 /nfs/dbraw/zinc/12/98/75/353129875.db2.gz SXKKOLKNJKDVDO-MRVPVSSYSA-N 1 0 230.105 3.008 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1ccoc1Br ZINC000232566553 353134505 /nfs/dbraw/zinc/13/45/05/353134505.db2.gz SXKKOLKNJKDVDO-QMMMGPOBSA-N 1 0 230.105 3.008 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1ccoc1Br ZINC000232567890 353735342 /nfs/dbraw/zinc/73/53/42/353735342.db2.gz NTSXFGFQYNVWRW-ZETCQYMHSA-N 1 0 232.121 3.088 10 0 BGAERO CC(C)[C@@H]1CCNc2[nH+]c(C(C)(C)C)cn21 ZINC000232691313 541504796 /nfs/dbraw/zinc/50/47/96/541504796.db2.gz FPEXPKUMADJZAJ-JTQLQIEISA-N 1 0 221.348 3.193 10 0 BGAERO CC(C)[C@@H]1CCn2cc(C(C)(C)C)[nH+]c2N1 ZINC000232691991 583205569 /nfs/dbraw/zinc/20/55/69/583205569.db2.gz ZOVAUAFIBPAZNJ-JTQLQIEISA-N 1 0 221.348 3.021 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000232697923 537803924 /nfs/dbraw/zinc/80/39/24/537803924.db2.gz GIMGYHBJUHWBTQ-GFCCVEGCSA-N 1 0 228.339 3.369 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232704649 357679603 /nfs/dbraw/zinc/67/96/03/357679603.db2.gz JUFXMZRHXCKDRJ-IAQYHMDHSA-N 1 0 233.355 3.404 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232706005 357679292 /nfs/dbraw/zinc/67/92/92/357679292.db2.gz JUFXMZRHXCKDRJ-ABAIWWIYSA-N 1 0 233.355 3.404 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1ccc2cnccc2c1 ZINC000232706599 537803525 /nfs/dbraw/zinc/80/35/25/537803525.db2.gz GIMGYHBJUHWBTQ-LBPRGKRZSA-N 1 0 228.339 3.369 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000232711683 357679656 /nfs/dbraw/zinc/67/96/56/357679656.db2.gz JUFXMZRHXCKDRJ-XHDPSFHLSA-N 1 0 233.355 3.404 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000232713005 357679299 /nfs/dbraw/zinc/67/92/99/357679299.db2.gz JUFXMZRHXCKDRJ-NHYWBVRUSA-N 1 0 233.355 3.404 10 0 BGAERO CC(C)[C@H](C)S[C@@H]1CCCC[C@@H]1[NH3+] ZINC000232719138 353268355 /nfs/dbraw/zinc/26/83/55/353268355.db2.gz JFFWXIZMJGETLH-GARJFASQSA-N 1 0 201.379 3.034 10 0 BGAERO CC(C)[C@H](C[NH2+][C@@H]1C[C@@H]1C)c1ccccc1 ZINC000232722918 259657337 /nfs/dbraw/zinc/65/73/37/259657337.db2.gz UQSMHDNZCRUWBK-AEGPPILISA-N 1 0 217.356 3.424 10 0 BGAERO CC(C)[C@H](C)S[C@H]1CCCC[C@@H]1[NH3+] ZINC000232728733 350666488 /nfs/dbraw/zinc/66/64/88/350666488.db2.gz JFFWXIZMJGETLH-DCAQKATOSA-N 1 0 201.379 3.034 10 0 BGAERO CC(C)[C@H](C[NH2+][C@H]1C[C@@H]1C)c1ccccc1 ZINC000232730242 388855866 /nfs/dbraw/zinc/85/58/66/388855866.db2.gz UQSMHDNZCRUWBK-QEJZJMRPSA-N 1 0 217.356 3.424 10 0 BGAERO CC(C)[C@@H](C)SC1CCC([NH3+])CC1 ZINC000232732636 372156761 /nfs/dbraw/zinc/15/67/61/372156761.db2.gz CMGPDQXOBOPQGV-KPPDAEKUSA-N 1 0 201.379 3.034 10 0 BGAERO CC(C)[C@H]1CCNc2[nH+]c(C(C)(C)C)cn21 ZINC000232743015 541507070 /nfs/dbraw/zinc/50/70/70/541507070.db2.gz FPEXPKUMADJZAJ-SNVBAGLBSA-N 1 0 221.348 3.193 10 0 BGAERO CC(C)c1ccc([C@H](C)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000232744460 353757824 /nfs/dbraw/zinc/75/78/24/353757824.db2.gz JXALZDLFZLEEJS-WWGRRREGSA-N 1 0 246.398 3.150 10 0 BGAERO CC(C)[C@H]1CCn2cc(C(C)(C)C)[nH+]c2N1 ZINC000232750980 541506701 /nfs/dbraw/zinc/50/67/01/541506701.db2.gz ZOVAUAFIBPAZNJ-SNVBAGLBSA-N 1 0 221.348 3.021 10 0 BGAERO CC(C)[C@H](C)SC1CCC([NH3+])CC1 ZINC000232763481 353385616 /nfs/dbraw/zinc/38/56/16/353385616.db2.gz CMGPDQXOBOPQGV-WHXUTIOJSA-N 1 0 201.379 3.034 10 0 BGAERO CC1(C)C[C@H]1[C@H]([NH3+])c1ccc(Br)o1 ZINC000232791202 353471596 /nfs/dbraw/zinc/47/15/96/353471596.db2.gz HJBVDYVSOVHXPO-RCOVLWMOSA-N 1 0 244.132 3.088 10 0 BGAERO CC1(C)C[C@H]1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000232791490 353471968 /nfs/dbraw/zinc/47/19/68/353471968.db2.gz RXBITYOLZFVZNW-WDEREUQCSA-N 1 0 209.720 3.386 10 0 BGAERO CC1(C)C[C@H]1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000232791643 353763472 /nfs/dbraw/zinc/76/34/72/353763472.db2.gz YTBJXBCNTQQDJN-RCOVLWMOSA-N 1 0 215.749 3.447 10 0 BGAERO CC1(C)C[C@H]1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000232792241 398241420 /nfs/dbraw/zinc/24/14/20/398241420.db2.gz WQRZXYIPXYFCSG-WDEREUQCSA-N 1 0 209.720 3.386 10 0 BGAERO CC1(C)C[C@H]1[C@H]([NH3+])c1occc1Br ZINC000232794163 353480743 /nfs/dbraw/zinc/48/07/43/353480743.db2.gz JFTMPWMFTAVFIG-XPUUQOCRSA-N 1 0 244.132 3.088 10 0 BGAERO CC1(C)C[C@H]1[C@H]([NH3+])c1sccc1Cl ZINC000232794255 353477876 /nfs/dbraw/zinc/47/78/76/353477876.db2.gz QQQHCCXVXWGUHW-XPUUQOCRSA-N 1 0 215.749 3.447 10 0 BGAERO CC1(C)C[C@@H]1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000232812970 398251315 /nfs/dbraw/zinc/25/13/15/398251315.db2.gz YTBJXBCNTQQDJN-HZGVNTEJSA-N 1 0 215.749 3.447 10 0 BGAERO CC1(C)C[C@@H]1[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000232813331 372164564 /nfs/dbraw/zinc/16/45/64/372164564.db2.gz WQRZXYIPXYFCSG-MNOVXSKESA-N 1 0 209.720 3.386 10 0 BGAERO CC1(C)[C@H]([NH3+])C[C@@H]1c1csc(Cl)c1 ZINC000232813554 353576462 /nfs/dbraw/zinc/57/64/62/353576462.db2.gz RRJOLJPKXPWOKE-HTQZYQBOSA-N 1 0 215.749 3.242 10 0 BGAERO CC1(C)C[C@@H]1[C@@H]([NH3+])c1occc1Br ZINC000232814384 353581185 /nfs/dbraw/zinc/58/11/85/353581185.db2.gz JFTMPWMFTAVFIG-HTRCEHHLSA-N 1 0 244.132 3.088 10 0 BGAERO CC1(C)C[C@@H]1[C@@H]([NH3+])c1sccc1Cl ZINC000232814444 353580833 /nfs/dbraw/zinc/58/08/33/353580833.db2.gz QQQHCCXVXWGUHW-HTRCEHHLSA-N 1 0 215.749 3.447 10 0 BGAERO CC1(C)[C@H]([NH3+])C[C@H]1c1csc(Cl)c1 ZINC000232815890 353582555 /nfs/dbraw/zinc/58/25/55/353582555.db2.gz RRJOLJPKXPWOKE-JGVFFNPUSA-N 1 0 215.749 3.242 10 0 BGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCCCO ZINC000232822789 357684982 /nfs/dbraw/zinc/68/49/82/357684982.db2.gz ANCJRFKEMRAPQS-HNNXBMFYSA-N 1 0 247.382 3.062 10 0 BGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCCCO ZINC000232824391 357684990 /nfs/dbraw/zinc/68/49/90/357684990.db2.gz ANCJRFKEMRAPQS-OAHLLOKOSA-N 1 0 247.382 3.062 10 0 BGAERO CC1(C)CCC([NH2+]C/C=C/Cl)CC1 ZINC000232832563 372167379 /nfs/dbraw/zinc/16/73/79/372167379.db2.gz PWCIZSVRAAEZTM-FPYGCLRLSA-N 1 0 201.741 3.297 10 0 BGAERO CCC(=[NH2+])Nc1ccc2ncsc2c1 ZINC000232833802 353723541 /nfs/dbraw/zinc/72/35/41/353723541.db2.gz HDIIEVJKSCYAMJ-UHFFFAOYSA-N 1 0 205.286 3.095 10 0 BGAERO CC1(C)C[C@@H]1[C@H]([NH3+])c1ccc(Br)o1 ZINC000232843001 353792781 /nfs/dbraw/zinc/79/27/81/353792781.db2.gz HJBVDYVSOVHXPO-MUWHJKNJSA-N 1 0 244.132 3.088 10 0 BGAERO CC1(C)C[C@@H]1[C@H]([NH3+])c1ccc(Cl)cc1 ZINC000232843159 353792772 /nfs/dbraw/zinc/79/27/72/353792772.db2.gz RXBITYOLZFVZNW-GHMZBOCLSA-N 1 0 209.720 3.386 10 0 BGAERO CC1(C)C[C@@H]1[C@H]([NH3+])c1ccc(Cl)s1 ZINC000232843274 353792413 /nfs/dbraw/zinc/79/24/13/353792413.db2.gz YTBJXBCNTQQDJN-MUWHJKNJSA-N 1 0 215.749 3.447 10 0 BGAERO CC1(C)C[C@@H]1[C@H]([NH3+])c1cccc(Cl)c1 ZINC000232843651 372168360 /nfs/dbraw/zinc/16/83/60/372168360.db2.gz WQRZXYIPXYFCSG-GHMZBOCLSA-N 1 0 209.720 3.386 10 0 BGAERO CC1(C)C[C@@H]1[C@H]([NH3+])c1occc1Br ZINC000232844759 353788660 /nfs/dbraw/zinc/78/86/60/353788660.db2.gz JFTMPWMFTAVFIG-SVRRBLITSA-N 1 0 244.132 3.088 10 0 BGAERO CC1(C)C[C@@H]1[C@H]([NH3+])c1sccc1Cl ZINC000232844827 353788488 /nfs/dbraw/zinc/78/84/88/353788488.db2.gz QQQHCCXVXWGUHW-SVRRBLITSA-N 1 0 215.749 3.447 10 0 BGAERO CC1(C)[C@@H]([NH3+])C[C@@H]1c1csc(Cl)c1 ZINC000232913292 354368632 /nfs/dbraw/zinc/36/86/32/354368632.db2.gz RRJOLJPKXPWOKE-SFYZADRCSA-N 1 0 215.749 3.242 10 0 BGAERO CCC1CCC([NH2+]Cc2ncc(C)o2)CC1 ZINC000232914413 541374651 /nfs/dbraw/zinc/37/46/51/541374651.db2.gz SBBMSKDVAFFEFQ-UHFFFAOYSA-N 1 0 222.332 3.041 10 0 BGAERO CC1(C)[C@H](c2csc(Cl)c2)C[C@@H]1[NH3+] ZINC000232915486 354379768 /nfs/dbraw/zinc/37/97/68/354379768.db2.gz RRJOLJPKXPWOKE-YUMQZZPRSA-N 1 0 215.749 3.242 10 0 BGAERO CCC1CCC([C@@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000232920059 566491791 /nfs/dbraw/zinc/49/17/91/566491791.db2.gz AWAZQCPZPQSNAA-ABXWRUBCSA-N 1 0 209.377 3.448 10 0 BGAERO CCC1CCC([C@@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000232920099 566491724 /nfs/dbraw/zinc/49/17/24/566491724.db2.gz AWAZQCPZPQSNAA-RYSNWHEDSA-N 1 0 209.377 3.448 10 0 BGAERO CC1(C[NH2+][C@@H]2CCc3c2cccc3O)CCC1 ZINC000232920700 168045043 /nfs/dbraw/zinc/04/50/43/168045043.db2.gz ZUEIFXKOAXTOSD-CYBMUJFWSA-N 1 0 231.339 3.159 10 0 BGAERO CC1(C[NH2+][C@H]2CCc3c2cccc3O)CCC1 ZINC000232935326 168046460 /nfs/dbraw/zinc/04/64/60/168046460.db2.gz ZUEIFXKOAXTOSD-ZDUSSCGKSA-N 1 0 231.339 3.159 10 0 BGAERO CCC1CCC([C@H]2C[NH2+]C[C@@H](C)C2)CC1 ZINC000232938112 566491800 /nfs/dbraw/zinc/49/18/00/566491800.db2.gz AWAZQCPZPQSNAA-GFJIZPEISA-N 1 0 209.377 3.448 10 0 BGAERO CCC1CCC([C@H]2C[NH2+]C[C@H](C)C2)CC1 ZINC000232938151 541509218 /nfs/dbraw/zinc/50/92/18/541509218.db2.gz AWAZQCPZPQSNAA-BLYZHGLHSA-N 1 0 209.377 3.448 10 0 BGAERO CC1(C)C[C@H]1[C@@H]([NH3+])c1ccc(Br)o1 ZINC000232992471 372186806 /nfs/dbraw/zinc/18/68/06/372186806.db2.gz HJBVDYVSOVHXPO-IMTBSYHQSA-N 1 0 244.132 3.088 10 0 BGAERO CC1(C)C[C@H]1[C@@H]([NH3+])c1ccc(Cl)cc1 ZINC000232992656 372186338 /nfs/dbraw/zinc/18/63/38/372186338.db2.gz RXBITYOLZFVZNW-QWRGUYRKSA-N 1 0 209.720 3.386 10 0 BGAERO CC1(C)C[C@H]1[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000232992779 372185984 /nfs/dbraw/zinc/18/59/84/372185984.db2.gz YTBJXBCNTQQDJN-IMTBSYHQSA-N 1 0 215.749 3.447 10 0 BGAERO CC1(C)C[C@H]1[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000232993174 355230581 /nfs/dbraw/zinc/23/05/81/355230581.db2.gz WQRZXYIPXYFCSG-QWRGUYRKSA-N 1 0 209.720 3.386 10 0 BGAERO CC1(C)C[C@H]1[C@@H]([NH3+])c1occc1Br ZINC000232994482 372186544 /nfs/dbraw/zinc/18/65/44/372186544.db2.gz JFTMPWMFTAVFIG-POYBYMJQSA-N 1 0 244.132 3.088 10 0 BGAERO CC1(C)C[C@H]1[C@@H]([NH3+])c1sccc1Cl ZINC000232994559 372187758 /nfs/dbraw/zinc/18/77/58/372187758.db2.gz QQQHCCXVXWGUHW-POYBYMJQSA-N 1 0 215.749 3.447 10 0 BGAERO CCC(C)(C)C[NH2+][C@H](COC)c1ccccc1 ZINC000232997547 259659767 /nfs/dbraw/zinc/65/97/67/259659767.db2.gz LATOXTKZWCXWCJ-CQSZACIVSA-N 1 0 235.371 3.400 10 0 BGAERO CCCC[C@H](CC)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000233022991 342894629 /nfs/dbraw/zinc/89/46/29/342894629.db2.gz ZZIGEHPURJVVFN-BFHYXJOUSA-N 1 0 227.392 3.096 10 0 BGAERO CCCNC(=[NH2+])c1cc(Cl)cc(Cl)c1 ZINC000233044786 353791162 /nfs/dbraw/zinc/79/11/62/353791162.db2.gz VTDXTWDFWXDDQO-UHFFFAOYSA-N 1 0 231.126 3.318 10 0 BGAERO CCCC[C@@H](CC)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000233048193 342894981 /nfs/dbraw/zinc/89/49/81/342894981.db2.gz ZZIGEHPURJVVFN-MGPQQGTHSA-N 1 0 227.392 3.096 10 0 BGAERO CCC1(C[NH2+][C@@H](COC)c2ccccc2)CC1 ZINC000233086380 168480798 /nfs/dbraw/zinc/48/07/98/168480798.db2.gz OGCNURNGWSRLHG-AWEZNQCLSA-N 1 0 233.355 3.154 10 0 BGAERO CCC1(C[NH2+][C@H](COC)c2ccccc2)CC1 ZINC000233095659 168482077 /nfs/dbraw/zinc/48/20/77/168482077.db2.gz OGCNURNGWSRLHG-CQSZACIVSA-N 1 0 233.355 3.154 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000233307120 388345298 /nfs/dbraw/zinc/34/52/98/388345298.db2.gz ZAVUSEBVPVADAL-ZIAGYGMSSA-N 1 0 233.355 3.287 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000233307322 385934268 /nfs/dbraw/zinc/93/42/68/385934268.db2.gz NLJYURQUEHXXJW-CHWSQXEVSA-N 1 0 249.354 3.069 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(OC)cc1F ZINC000233307331 342901150 /nfs/dbraw/zinc/90/11/50/342901150.db2.gz FVRAFHFHSHBGOF-QMTHXVAHSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(OC)c1F ZINC000233307377 566358087 /nfs/dbraw/zinc/35/80/87/566358087.db2.gz UCXBLWWSZOEQEM-ZYHUDNBSSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccn(CCC)c1 ZINC000233307424 535494299 /nfs/dbraw/zinc/49/42/99/535494299.db2.gz WUCGAGLWPNWUMI-ZIAGYGMSSA-N 1 0 220.360 3.176 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000233307434 325184508 /nfs/dbraw/zinc/18/45/08/325184508.db2.gz LEMXNFGIHHYTGX-BXKDBHETSA-N 1 0 224.735 3.013 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1nc(C)c(C)s1 ZINC000233307488 642659986 /nfs/dbraw/zinc/65/99/86/642659986.db2.gz UWDRWTYEWBEFSL-GHMZBOCLSA-N 1 0 224.373 3.038 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000233307598 342901222 /nfs/dbraw/zinc/90/12/22/342901222.db2.gz QNTOTWQXQWBGEK-IUODEOHRSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000233307599 325184533 /nfs/dbraw/zinc/18/45/33/325184533.db2.gz OEAOGEGHIVUOLQ-UKRRQHHQSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000233309298 169441881 /nfs/dbraw/zinc/44/18/81/169441881.db2.gz MHIYUDCCGPDLPF-NJZAAPMLSA-N 1 0 233.355 3.101 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cccc(O)c1 ZINC000233309414 385935145 /nfs/dbraw/zinc/93/51/45/385935145.db2.gz SJEXTECWGAUMQT-ZKYQVNSYSA-N 1 0 219.328 3.231 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000233309760 566358112 /nfs/dbraw/zinc/35/81/12/566358112.db2.gz NKFBOLWYHKUYAG-MGPQQGTHSA-N 1 0 230.355 3.237 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000233309964 635531759 /nfs/dbraw/zinc/53/17/59/635531759.db2.gz LZRDNSVGYNCDCA-MGPQQGTHSA-N 1 0 237.387 3.256 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000233335079 259661182 /nfs/dbraw/zinc/66/11/82/259661182.db2.gz FVUPAUNAWNNDFE-XQLPTFJDSA-N 1 0 239.403 3.191 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000233407305 388346624 /nfs/dbraw/zinc/34/66/24/388346624.db2.gz ZAVUSEBVPVADAL-UONOGXRCSA-N 1 0 233.355 3.287 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000233409206 385948502 /nfs/dbraw/zinc/94/85/02/385948502.db2.gz NLJYURQUEHXXJW-QWHCGFSZSA-N 1 0 249.354 3.069 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(OC)cc1F ZINC000233409315 342905055 /nfs/dbraw/zinc/90/50/55/342905055.db2.gz FVRAFHFHSHBGOF-IINYFYTJSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccn(CCC)c1 ZINC000233410482 134563397 /nfs/dbraw/zinc/56/33/97/134563397.db2.gz WUCGAGLWPNWUMI-UONOGXRCSA-N 1 0 220.360 3.176 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000233410581 324084289 /nfs/dbraw/zinc/08/42/89/324084289.db2.gz LEMXNFGIHHYTGX-JOYOIKCWSA-N 1 0 224.735 3.013 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1nc(C)c(C)s1 ZINC000233411223 642669179 /nfs/dbraw/zinc/66/91/79/642669179.db2.gz UWDRWTYEWBEFSL-WDEREUQCSA-N 1 0 224.373 3.038 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000233412265 342905093 /nfs/dbraw/zinc/90/50/93/342905093.db2.gz QNTOTWQXQWBGEK-SWLSCSKDSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000233412285 324084278 /nfs/dbraw/zinc/08/42/78/324084278.db2.gz OEAOGEGHIVUOLQ-DZGCQCFKSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000233413488 259661976 /nfs/dbraw/zinc/66/19/76/259661976.db2.gz ZAVUSEBVPVADAL-KBPBESRZSA-N 1 0 233.355 3.287 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000233415143 169534045 /nfs/dbraw/zinc/53/40/45/169534045.db2.gz NLJYURQUEHXXJW-STQMWFEESA-N 1 0 249.354 3.069 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(OC)cc1F ZINC000233415259 342905456 /nfs/dbraw/zinc/90/54/56/342905456.db2.gz FVRAFHFHSHBGOF-HZMBPMFUSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cccc(OC)c1F ZINC000233415786 537840643 /nfs/dbraw/zinc/84/06/43/537840643.db2.gz UCXBLWWSZOEQEM-JQWIXIFHSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccn(CCC)c1 ZINC000233416280 134563751 /nfs/dbraw/zinc/56/37/51/134563751.db2.gz WUCGAGLWPNWUMI-KBPBESRZSA-N 1 0 220.360 3.176 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000233416363 324084255 /nfs/dbraw/zinc/08/42/55/324084255.db2.gz LEMXNFGIHHYTGX-CABZTGNLSA-N 1 0 224.735 3.013 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1nc(C)c(C)s1 ZINC000233416899 642670829 /nfs/dbraw/zinc/67/08/29/642670829.db2.gz UWDRWTYEWBEFSL-QWRGUYRKSA-N 1 0 224.373 3.038 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000233417662 342905401 /nfs/dbraw/zinc/90/54/01/342905401.db2.gz QNTOTWQXQWBGEK-WFASDCNBSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000233417675 324090043 /nfs/dbraw/zinc/09/00/43/324090043.db2.gz OEAOGEGHIVUOLQ-ZFWWWQNUSA-N 1 0 228.339 3.446 10 0 BGAERO CCCn1ccc(C[NH2+]CC2(C)CCC2)c1 ZINC000233448273 135032718 /nfs/dbraw/zinc/03/27/18/135032718.db2.gz GSEZKCBWSWVYNX-UHFFFAOYSA-N 1 0 220.360 3.178 10 0 BGAERO CCCn1ccc(C[NH2+]CC2(C3CC3)CC2)c1 ZINC000233452349 134563879 /nfs/dbraw/zinc/56/38/79/134563879.db2.gz OYKCQNZLQFUJSL-UHFFFAOYSA-N 1 0 232.371 3.178 10 0 BGAERO CC[NH2+]CCC1(OCc2ccccc2)CCC1 ZINC000233503748 342869425 /nfs/dbraw/zinc/86/94/25/342869425.db2.gz VAZUPDYNNZMBNJ-UHFFFAOYSA-N 1 0 233.355 3.126 10 0 BGAERO CC[NH2+][C@H](C)c1cccc(C)c1Br ZINC000233578334 342873742 /nfs/dbraw/zinc/87/37/42/342873742.db2.gz ONBCFKZGWTUTGC-SECBINFHSA-N 1 0 242.160 3.428 10 0 BGAERO CC[NH2+][C@@]1(C(F)F)CC(C)(C)C[C@@H]1C ZINC000233626611 353830218 /nfs/dbraw/zinc/83/02/18/353830218.db2.gz OMOIBCUOKRLRFJ-KWQFWETISA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@@]1(C(F)F)CC(C)(C)C[C@H]1C ZINC000233626625 342874963 /nfs/dbraw/zinc/87/49/63/342874963.db2.gz OMOIBCUOKRLRFJ-KCJUWKMLSA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@]1(C(F)F)CC(C)(C)C[C@@H]1C ZINC000233627516 342875106 /nfs/dbraw/zinc/87/51/06/342875106.db2.gz OMOIBCUOKRLRFJ-GZMMTYOYSA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@]1(C(F)F)CC(C)(C)C[C@H]1C ZINC000233627528 342875173 /nfs/dbraw/zinc/87/51/73/342875173.db2.gz OMOIBCUOKRLRFJ-LDYMZIIASA-N 1 0 205.292 3.056 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+]CCn2cc(C)cn2)CC1 ZINC000233916850 490124053 /nfs/dbraw/zinc/12/40/53/490124053.db2.gz ZEUGZILNSOELGD-CABCVRRESA-N 1 0 249.402 3.140 10 0 BGAERO CC[C@@H]1CCC[C@@H]([NH2+]CCn2cc(C)cn2)CC1 ZINC000233922824 487752497 /nfs/dbraw/zinc/75/24/97/487752497.db2.gz ZEUGZILNSOELGD-HUUCEWRRSA-N 1 0 249.402 3.140 10 0 BGAERO CC[C@@H]1[C@@H](C)CNc2[nH+]c(C(C)(C)C)cn21 ZINC000233929063 541510234 /nfs/dbraw/zinc/51/02/34/541510234.db2.gz BAGLTBSYGXOROP-VHSXEESVSA-N 1 0 221.348 3.193 10 0 BGAERO CC[C@@H]1[C@@H]([NH3+])C[C@@H]1c1csc(Cl)c1 ZINC000233929563 342902963 /nfs/dbraw/zinc/90/29/63/342902963.db2.gz NUCFCALTDFSVSC-YIZRAAEISA-N 1 0 215.749 3.242 10 0 BGAERO CC[C@@H]1[C@H](C)CNc2[nH+]c(C(C)(C)C)cn21 ZINC000233930750 541509548 /nfs/dbraw/zinc/50/95/48/541509548.db2.gz BAGLTBSYGXOROP-NXEZZACHSA-N 1 0 221.348 3.193 10 0 BGAERO CC[C@@H]1[C@H]([NH3+])C[C@@H]1c1csc(Cl)c1 ZINC000233931205 342904960 /nfs/dbraw/zinc/90/49/60/342904960.db2.gz NUCFCALTDFSVSC-DJLDLDEBSA-N 1 0 215.749 3.242 10 0 BGAERO CC[C@@H]1CS[C@@]2(CC(C)(C)C[C@@H]2C)[NH2+]1 ZINC000233939669 342904646 /nfs/dbraw/zinc/90/46/46/342904646.db2.gz INRORZOYKOUOMO-HOSYDEDBSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CS[C@]2(CC(C)(C)C[C@@H]2C)[NH2+]1 ZINC000233940491 342908282 /nfs/dbraw/zinc/90/82/82/342908282.db2.gz INRORZOYKOUOMO-UMNHJUIQSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1Nc2[nH+]c(C(C)(C)C)cn2C[C@@H]1C ZINC000233952078 541509941 /nfs/dbraw/zinc/50/99/41/541509941.db2.gz RTOVNXCCQVZLGQ-UWVGGRQHSA-N 1 0 221.348 3.021 10 0 BGAERO CC[C@@H]1Nc2[nH+]c(C(C)(C)C)cn2C[C@H]1C ZINC000233952087 541510100 /nfs/dbraw/zinc/51/01/00/541510100.db2.gz RTOVNXCCQVZLGQ-ZJUUUORDSA-N 1 0 221.348 3.021 10 0 BGAERO CC[C@@](C)([NH3+])Cc1ccc(Cl)c(F)c1 ZINC000233955183 343156127 /nfs/dbraw/zinc/15/61/27/343156127.db2.gz PLSSTHMPSIQWQK-LLVKDONJSA-N 1 0 215.699 3.149 10 0 BGAERO CC[C@@](C)([NH3+])c1cccc(Br)c1F ZINC000233955570 342911725 /nfs/dbraw/zinc/91/17/25/342911725.db2.gz TYNPIYWYKDTBKQ-SNVBAGLBSA-N 1 0 246.123 3.172 10 0 BGAERO CC[C@@]1(c2cccc(Br)c2)CC[NH2+]1 ZINC000233972777 342916879 /nfs/dbraw/zinc/91/68/79/342916879.db2.gz HAZRMVDTTPNQGQ-NSHDSACASA-N 1 0 240.144 3.048 10 0 BGAERO CCS[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)C(C)C ZINC000233999240 342923946 /nfs/dbraw/zinc/92/39/46/342923946.db2.gz GKLDYTVOKAQYSV-SDDRHHMPSA-N 1 0 215.406 3.295 10 0 BGAERO CC[C@H]1CCC[C@@H]([NH2+]CCn2cc(C)cn2)CC1 ZINC000234059912 487758893 /nfs/dbraw/zinc/75/88/93/487758893.db2.gz ZEUGZILNSOELGD-LSDHHAIUSA-N 1 0 249.402 3.140 10 0 BGAERO CC[C@H]1[C@@H](C)CNc2[nH+]c(C(C)(C)C)cn21 ZINC000234078867 541510796 /nfs/dbraw/zinc/51/07/96/541510796.db2.gz BAGLTBSYGXOROP-UWVGGRQHSA-N 1 0 221.348 3.193 10 0 BGAERO CC[C@H]1Nc2[nH+]c(C(C)(C)C)cn2C[C@@H]1C ZINC000234082112 541510949 /nfs/dbraw/zinc/51/09/49/541510949.db2.gz RTOVNXCCQVZLGQ-VHSXEESVSA-N 1 0 221.348 3.021 10 0 BGAERO CC[C@H]1Nc2[nH+]c(C(C)(C)C)cn2C[C@H]1C ZINC000234082126 541511466 /nfs/dbraw/zinc/51/14/66/541511466.db2.gz RTOVNXCCQVZLGQ-NXEZZACHSA-N 1 0 221.348 3.021 10 0 BGAERO CC[C@H]1[C@H](C)CNc2[nH+]c(C(C)(C)C)cn21 ZINC000234082787 541511410 /nfs/dbraw/zinc/51/14/10/541511410.db2.gz BAGLTBSYGXOROP-ZJUUUORDSA-N 1 0 221.348 3.193 10 0 BGAERO CC[C@H]1CCC[C@H]([NH2+]CCn2cc(C)cn2)CC1 ZINC000234099013 487760600 /nfs/dbraw/zinc/76/06/00/487760600.db2.gz ZEUGZILNSOELGD-GJZGRUSLSA-N 1 0 249.402 3.140 10 0 BGAERO CC[C@](C)([NH3+])Cc1ccc(Cl)c(F)c1 ZINC000234126005 343424362 /nfs/dbraw/zinc/42/43/62/343424362.db2.gz PLSSTHMPSIQWQK-NSHDSACASA-N 1 0 215.699 3.149 10 0 BGAERO CC[C@](C)([NH3+])c1cccc(Br)c1F ZINC000234126777 343424526 /nfs/dbraw/zinc/42/45/26/343424526.db2.gz TYNPIYWYKDTBKQ-JTQLQIEISA-N 1 0 246.123 3.172 10 0 BGAERO CC[C@]1(c2cccc(Br)c2)CC[NH2+]1 ZINC000234133132 343445386 /nfs/dbraw/zinc/44/53/86/343445386.db2.gz HAZRMVDTTPNQGQ-LLVKDONJSA-N 1 0 240.144 3.048 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C)cc1 ZINC000234148994 487764349 /nfs/dbraw/zinc/76/43/49/487764349.db2.gz VHGHXVCLZOWFGH-ZENOOKHLSA-N 1 0 247.382 3.325 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C)cc1 ZINC000234149599 487765180 /nfs/dbraw/zinc/76/51/80/487765180.db2.gz VHGHXVCLZOWFGH-WOSRLPQWSA-N 1 0 247.382 3.325 10 0 BGAERO CCc1ccc([C@H]([NH3+])[C@@H]2CC2(C)C)s1 ZINC000234180832 343621058 /nfs/dbraw/zinc/62/10/58/343621058.db2.gz DLCYJYZMBDTPLZ-GXSJLCMTSA-N 1 0 209.358 3.356 10 0 BGAERO CCc1ccc([C@H]([NH3+])[C@H]2CC2(C)C)s1 ZINC000234182356 343620384 /nfs/dbraw/zinc/62/03/84/343620384.db2.gz DLCYJYZMBDTPLZ-MWLCHTKSSA-N 1 0 209.358 3.356 10 0 BGAERO CCn1cccc1C[NH2+]CCCCCSC ZINC000234189925 172207427 /nfs/dbraw/zinc/20/74/27/172207427.db2.gz ISALJTQRKOYYMF-UHFFFAOYSA-N 1 0 240.416 3.131 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC=C(C)C)c1C ZINC000234191227 357776491 /nfs/dbraw/zinc/77/64/91/357776491.db2.gz HIBAYNXCFADOCI-LLVKDONJSA-N 1 0 235.375 3.137 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CC=C(C)C)c1C ZINC000234192116 357776873 /nfs/dbraw/zinc/77/68/73/357776873.db2.gz HIBAYNXCFADOCI-NSHDSACASA-N 1 0 235.375 3.137 10 0 BGAERO C[NH2+]C/C(C)=C/c1ccc(C)c(Cl)c1 ZINC000234362743 398133013 /nfs/dbraw/zinc/13/30/13/398133013.db2.gz KXGGVUHJALOTJM-RMKNXTFCSA-N 1 0 209.720 3.271 10 0 BGAERO C[NH2+]C/C(C)=C/c1ccc(Cl)cc1C ZINC000234362809 398132968 /nfs/dbraw/zinc/13/29/68/398132968.db2.gz RXKKDUKCFFOVMY-RMKNXTFCSA-N 1 0 209.720 3.271 10 0 BGAERO C[NH2+][C@@H](C)c1cc(Cl)cc(Br)c1 ZINC000234381007 343959703 /nfs/dbraw/zinc/95/97/03/343959703.db2.gz XZBOXBJDEMNTEU-LURJTMIESA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+]Cc1occc1-c1csc(C)c1 ZINC000234402126 343963839 /nfs/dbraw/zinc/96/38/39/343963839.db2.gz FFGXRGOXCDRNFD-UHFFFAOYSA-N 1 0 207.298 3.036 10 0 BGAERO C[NH2+]Cc1ccc(-c2ccc(Cl)s2)o1 ZINC000234406244 343963944 /nfs/dbraw/zinc/96/39/44/343963944.db2.gz HARLNZXACUVWQF-UHFFFAOYSA-N 1 0 227.716 3.381 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)o1)C1=CCCC1 ZINC000234416187 343964332 /nfs/dbraw/zinc/96/43/32/343964332.db2.gz ZYTBYMNJVITAET-NSHDSACASA-N 1 0 211.692 3.304 10 0 BGAERO C[NH2+][C@@H](C)/C(C)=C/c1occc1Br ZINC000234419090 343964441 /nfs/dbraw/zinc/96/44/41/343964441.db2.gz YWMYGLJGJFMHPN-CZEYKFRCSA-N 1 0 244.132 3.053 10 0 BGAERO C[NH2+][C@H]1c2c(c(Cl)ccc2Cl)C[C@@H]1C ZINC000234423168 343965931 /nfs/dbraw/zinc/96/59/31/343965931.db2.gz WTTBGYJSQRAMQO-UPONEAKYSA-N 1 0 230.138 3.446 10 0 BGAERO C[NH2+][C@H](C)/C(C)=C/c1occc1Br ZINC000234424233 343965969 /nfs/dbraw/zinc/96/59/69/343965969.db2.gz YWMYGLJGJFMHPN-HYDMIIDASA-N 1 0 244.132 3.053 10 0 BGAERO C[NH2+][C@@H](c1cccs1)c1ccoc1Cl ZINC000234424473 343965816 /nfs/dbraw/zinc/96/58/16/343965816.db2.gz KTRSSXCCMKZFKQ-SECBINFHSA-N 1 0 227.716 3.303 10 0 BGAERO C[NH2+][C@H]1c2c(c(Cl)ccc2Cl)C[C@H]1C ZINC000234431526 343967247 /nfs/dbraw/zinc/96/72/47/343967247.db2.gz WTTBGYJSQRAMQO-KSBSHMNSSA-N 1 0 230.138 3.446 10 0 BGAERO C[NH2+][C@@H](c1sc(C)nc1C)C(C)(C)C ZINC000234432382 350697693 /nfs/dbraw/zinc/69/76/93/350697693.db2.gz JTLHBECLSVXQCS-JTQLQIEISA-N 1 0 212.362 3.067 10 0 BGAERO C[NH2+][C@H](c1ccc(C)s1)[C@H]1CC1(C)C ZINC000234435491 343967245 /nfs/dbraw/zinc/96/72/45/343967245.db2.gz NFBIALLHMKIIJR-KOLCDFICSA-N 1 0 209.358 3.363 10 0 BGAERO C[NH2+][C@H](C)c1cc(Cl)cc(Br)c1 ZINC000234438723 343967096 /nfs/dbraw/zinc/96/70/96/343967096.db2.gz XZBOXBJDEMNTEU-ZCFIWIBFSA-N 1 0 248.551 3.383 10 0 BGAERO C[NH2+][C@@H]1CSCc2c(Cl)cc(C)cc21 ZINC000234445439 343966524 /nfs/dbraw/zinc/96/65/24/343966524.db2.gz QEMMGQRYGYYGNB-LLVKDONJSA-N 1 0 227.760 3.156 10 0 BGAERO C[NH2+][C@H](c1ccc(Cl)cc1C)C1CC1 ZINC000234448009 384175286 /nfs/dbraw/zinc/17/52/86/384175286.db2.gz ZGDNDWGOOCQXBH-LBPRGKRZSA-N 1 0 209.720 3.319 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](c2csc(Cl)c2)[C@@H]1C ZINC000234464278 350698289 /nfs/dbraw/zinc/69/82/89/350698289.db2.gz PSDPEGNJKAXVTK-NBEYISGCSA-N 1 0 215.749 3.113 10 0 BGAERO C[NH2+][C@H]1CSCc2c(Cl)cc(C)cc21 ZINC000234472145 343973760 /nfs/dbraw/zinc/97/37/60/343973760.db2.gz QEMMGQRYGYYGNB-NSHDSACASA-N 1 0 227.760 3.156 10 0 BGAERO C[NH2+][C@@H]1c2c(c(Cl)ccc2Cl)C[C@@H]1C ZINC000234489229 343974168 /nfs/dbraw/zinc/97/41/68/343974168.db2.gz WTTBGYJSQRAMQO-KGFZYKRKSA-N 1 0 230.138 3.446 10 0 BGAERO C[NH2+][C@H](c1cccs1)c1ccoc1Cl ZINC000234493456 384191473 /nfs/dbraw/zinc/19/14/73/384191473.db2.gz KTRSSXCCMKZFKQ-VIFPVBQESA-N 1 0 227.716 3.303 10 0 BGAERO C[NH2+][C@H](c1sc(C)nc1C)C(C)(C)C ZINC000234496667 384191110 /nfs/dbraw/zinc/19/11/10/384191110.db2.gz JTLHBECLSVXQCS-SNVBAGLBSA-N 1 0 212.362 3.067 10 0 BGAERO C[NH2+][C@@H]1c2c(c(Cl)ccc2Cl)C[C@H]1C ZINC000234497508 384191602 /nfs/dbraw/zinc/19/16/02/384191602.db2.gz WTTBGYJSQRAMQO-KBUNVGBDSA-N 1 0 230.138 3.446 10 0 BGAERO C[NH2+][C@@H](c1ccc(C)s1)[C@@H]1CC1(C)C ZINC000234499363 384191466 /nfs/dbraw/zinc/19/14/66/384191466.db2.gz NFBIALLHMKIIJR-GXSJLCMTSA-N 1 0 209.358 3.363 10 0 BGAERO COC1CC([NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000234711409 635558511 /nfs/dbraw/zinc/55/85/11/635558511.db2.gz VNSQLYUFGXVZJV-UHFFFAOYSA-N 1 0 237.387 3.256 10 0 BGAERO COC[C@H]([NH2+]C[C@H]1CC1(C)C)c1ccccc1 ZINC000234753790 134583361 /nfs/dbraw/zinc/58/33/61/134583361.db2.gz MIUFYXFCTIERKA-KGLIPLIRSA-N 1 0 233.355 3.010 10 0 BGAERO COc1c[nH+]c(C)cc1NCc1ccccc1 ZINC000234901455 344466479 /nfs/dbraw/zinc/46/64/79/344466479.db2.gz VGVQCDLHYXGFDW-UHFFFAOYSA-N 1 0 228.295 3.011 10 0 BGAERO COc1ccccc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000234920695 487892927 /nfs/dbraw/zinc/89/29/27/487892927.db2.gz OFVZVTRXSXFAIG-HNNXBMFYSA-N 1 0 239.318 3.308 10 0 BGAERO COc1ccccc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000234920731 487892932 /nfs/dbraw/zinc/89/29/32/487892932.db2.gz OFVZVTRXSXFAIG-OAHLLOKOSA-N 1 0 239.318 3.308 10 0 BGAERO COc1ccccc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000234920855 488132375 /nfs/dbraw/zinc/13/23/75/488132375.db2.gz JOTRCSRFOLGNCN-HNNXBMFYSA-N 1 0 239.318 3.308 10 0 BGAERO COc1ccccc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000234920889 487892889 /nfs/dbraw/zinc/89/28/89/487892889.db2.gz JOTRCSRFOLGNCN-OAHLLOKOSA-N 1 0 239.318 3.308 10 0 BGAERO COc1ccc2c(c1)[C@@H]([NH2+]CC=C(C)C)CCO2 ZINC000234986005 175214295 /nfs/dbraw/zinc/21/42/95/175214295.db2.gz DLAWJZCDDUSMFQ-AWEZNQCLSA-N 1 0 247.338 3.075 10 0 BGAERO COc1ccc(-c2ccc3c(c2)CC[C@@H]3[NH3+])cc1 ZINC000234995247 487900539 /nfs/dbraw/zinc/90/05/39/487900539.db2.gz JLMBXMJTBLOXOK-INIZCTEOSA-N 1 0 239.318 3.308 10 0 BGAERO COc1ccc(-c2ccc3c(c2)CC[C@H]3[NH3+])cc1 ZINC000234995712 487900678 /nfs/dbraw/zinc/90/06/78/487900678.db2.gz JLMBXMJTBLOXOK-MRXNPFEDSA-N 1 0 239.318 3.308 10 0 BGAERO COc1ccc(-c2cccc3c2CC[C@@H]3[NH3+])cc1 ZINC000234997758 487899764 /nfs/dbraw/zinc/89/97/64/487899764.db2.gz NADBKCPKSDEPBX-INIZCTEOSA-N 1 0 239.318 3.308 10 0 BGAERO COc1ccc(-c2cccc3c2CC[C@H]3[NH3+])cc1 ZINC000234998237 487900142 /nfs/dbraw/zinc/90/01/42/487900142.db2.gz NADBKCPKSDEPBX-MRXNPFEDSA-N 1 0 239.318 3.308 10 0 BGAERO COc1cccc(-c2ccc3c(c2)CC[C@@H]3[NH3+])c1 ZINC000235007921 487901187 /nfs/dbraw/zinc/90/11/87/487901187.db2.gz ZLESBMMMABFBGS-INIZCTEOSA-N 1 0 239.318 3.308 10 0 BGAERO COc1cccc(-c2ccc3c(c2)CC[C@H]3[NH3+])c1 ZINC000235008065 487901197 /nfs/dbraw/zinc/90/11/97/487901197.db2.gz ZLESBMMMABFBGS-MRXNPFEDSA-N 1 0 239.318 3.308 10 0 BGAERO COc1cccc(-c2cccc3c2CC[C@@H]3[NH3+])c1 ZINC000235008607 487901177 /nfs/dbraw/zinc/90/11/77/487901177.db2.gz LXHAIODUXLZUFP-INIZCTEOSA-N 1 0 239.318 3.308 10 0 BGAERO COc1cccc(-c2cccc3c2CC[C@H]3[NH3+])c1 ZINC000235008747 487901206 /nfs/dbraw/zinc/90/12/06/487901206.db2.gz LXHAIODUXLZUFP-MRXNPFEDSA-N 1 0 239.318 3.308 10 0 BGAERO CSc1ccc(C[NH3+])c2ccccc12 ZINC000235110829 344800869 /nfs/dbraw/zinc/80/08/69/344800869.db2.gz BXKAWJMYAIJRPL-UHFFFAOYSA-N 1 0 203.310 3.020 10 0 BGAERO CSc1ccc([C@@H](C)[NH3+])c(Br)c1 ZINC000235117638 344801447 /nfs/dbraw/zinc/80/14/47/344801447.db2.gz AQYJBBPKPFGLAQ-ZCFIWIBFSA-N 1 0 246.173 3.191 10 0 BGAERO CSc1ccc([C@H](C)[NH3+])c(Br)c1 ZINC000235120013 344801950 /nfs/dbraw/zinc/80/19/50/344801950.db2.gz AQYJBBPKPFGLAQ-LURJTMIESA-N 1 0 246.173 3.191 10 0 BGAERO C/C(=C\c1ccc(F)cc1Cl)[C@@H](C)[NH3+] ZINC000235148725 344814209 /nfs/dbraw/zinc/81/42/09/344814209.db2.gz CCQHAVNBARIYJX-WVXIBAHESA-N 1 0 213.683 3.230 10 0 BGAERO C[C@@H](C[NH3+])c1cc(Cl)sc1Cl ZINC000235149968 343753274 /nfs/dbraw/zinc/75/32/74/343753274.db2.gz ANBPNFUBERNNGG-BYPYZUCNSA-N 1 0 210.129 3.117 10 0 BGAERO C[C@@H]([NH3+])/C=C/c1cc(Cl)ccc1Cl ZINC000235157994 344824739 /nfs/dbraw/zinc/82/47/39/344824739.db2.gz CLOAWJIUZPHCID-TYWZFMJISA-N 1 0 216.111 3.354 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)c1ccc(F)cc1Br ZINC000235158739 344824728 /nfs/dbraw/zinc/82/47/28/344824728.db2.gz YEQAKPILMHSTCF-RNFRBKRXSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)c1cccc(Br)c1F ZINC000235158797 344824900 /nfs/dbraw/zinc/82/49/00/344824900.db2.gz JOKDNVJSWDVYSR-RNFRBKRXSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)c1ccc(F)cc1Br ZINC000235163514 344832443 /nfs/dbraw/zinc/83/24/43/344832443.db2.gz YEQAKPILMHSTCF-NKWVEPMBSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)c1cccc(Br)c1F ZINC000235163558 344832680 /nfs/dbraw/zinc/83/26/80/344832680.db2.gz JOKDNVJSWDVYSR-NKWVEPMBSA-N 1 0 246.123 3.039 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]1C[C@H]1[C@@H](C)[NH3+] ZINC000235165457 344832425 /nfs/dbraw/zinc/83/24/25/344832425.db2.gz YMMXNYCZDQMKBD-ZHAHWJHGSA-N 1 0 209.720 3.099 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]1C[C@@H]1[C@@H](C)[NH3+] ZINC000235166198 344832775 /nfs/dbraw/zinc/83/27/75/344832775.db2.gz YMMXNYCZDQMKBD-FXAINCCUSA-N 1 0 209.720 3.099 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]Cc2cncc(F)c2)c1 ZINC000235189107 388366208 /nfs/dbraw/zinc/36/62/08/388366208.db2.gz WIXYDRMHAIQICY-GFCCVEGCSA-N 1 0 244.313 3.380 10 0 BGAERO C=Cn1cc(C[NH2+][C@H](C)c2cccc(C)c2)cn1 ZINC000235193350 388366676 /nfs/dbraw/zinc/36/66/76/388366676.db2.gz AACQNWRIZYKDDN-CYBMUJFWSA-N 1 0 241.338 3.143 10 0 BGAERO Cc1ccc([C@H]2CC[NH2+][C@H]2C)cc1Cl ZINC000235278250 344870579 /nfs/dbraw/zinc/87/05/79/344870579.db2.gz UWGPLCZECRGXTJ-ONGXEEELSA-N 1 0 209.720 3.114 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+]C/C=C/Cl)C[C@@H]1C ZINC000235279674 344870856 /nfs/dbraw/zinc/87/08/56/344870856.db2.gz GAKUVVZXBQCZLV-FBFJJQQKSA-N 1 0 201.741 3.153 10 0 BGAERO Cc1ccc(C[NH2+][C@@H]2C[C@H]2C)c(Cl)c1 ZINC000235280323 384082435 /nfs/dbraw/zinc/08/24/35/384082435.db2.gz XBHHXFSZIQJOFN-BXKDBHETSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1ccc([C@@H]2CC[NH2+][C@H]2C)cc1Cl ZINC000235288827 344871721 /nfs/dbraw/zinc/87/17/21/344871721.db2.gz UWGPLCZECRGXTJ-GXSJLCMTSA-N 1 0 209.720 3.114 10 0 BGAERO C[C@@H]1C[C@@]1([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000235294053 344875521 /nfs/dbraw/zinc/87/55/21/344875521.db2.gz JXCDGRAINLVYDO-LDWIPMOCSA-N 1 0 216.111 3.187 10 0 BGAERO Cc1ccc(C[NH2+][C@H]2C[C@H]2C)c(Cl)c1 ZINC000235298672 344876323 /nfs/dbraw/zinc/87/63/23/344876323.db2.gz XBHHXFSZIQJOFN-SKDRFNHKSA-N 1 0 209.720 3.146 10 0 BGAERO C[C@@H]1C[C@]1([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000235312190 343953002 /nfs/dbraw/zinc/95/30/02/343953002.db2.gz JXCDGRAINLVYDO-LHLIQPBNSA-N 1 0 216.111 3.187 10 0 BGAERO CSC1CCC([NH2+]Cc2ccccc2)CC1 ZINC000235321272 344886893 /nfs/dbraw/zinc/88/68/93/344886893.db2.gz SKRNADCVFSWENB-UHFFFAOYSA-N 1 0 235.396 3.450 10 0 BGAERO C[C@@H]1CC[C@@H]([C@H]2C[NH2+]C[C@@H](C)C2)C[C@@H]1C ZINC000235344329 582564240 /nfs/dbraw/zinc/56/42/40/582564240.db2.gz LRVGEGVBWQLSNT-MEBFFEOJSA-N 1 0 209.377 3.304 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]1[NH2+]C[C@@H](C)S1 ZINC000235355867 344893544 /nfs/dbraw/zinc/89/35/44/344893544.db2.gz KFTQYQXOXYTQFX-LDYMZIIASA-N 1 0 227.760 3.372 10 0 BGAERO C[C@@H]1CSC[C@@H](c2csc(Cl)c2)[NH2+]1 ZINC000235356591 344893631 /nfs/dbraw/zinc/89/36/31/344893631.db2.gz JVBAIASESUTVCM-SVRRBLITSA-N 1 0 233.789 3.168 10 0 BGAERO C[C@@H]1CSC[C@H](c2csc(Cl)c2)[NH2+]1 ZINC000235356837 343962581 /nfs/dbraw/zinc/96/25/81/343962581.db2.gz JVBAIASESUTVCM-HTRCEHHLSA-N 1 0 233.789 3.168 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2csc(Cl)c2)CS1 ZINC000235360159 343962601 /nfs/dbraw/zinc/96/26/01/343962601.db2.gz PUBSHYKFMQAORI-HTRCEHHLSA-N 1 0 233.789 3.168 10 0 BGAERO C[C@@H]1C[C@H](c2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000235365997 344894407 /nfs/dbraw/zinc/89/44/07/344894407.db2.gz KQWRJPVSYMUBOB-SFYZADRCSA-N 1 0 230.138 3.459 10 0 BGAERO Cc1cc(Cl)ccc1[C@H]1[NH2+]C[C@@H](C)S1 ZINC000235373515 344897353 /nfs/dbraw/zinc/89/73/53/344897353.db2.gz KFTQYQXOXYTQFX-KCJUWKMLSA-N 1 0 227.760 3.372 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2csc(Cl)c2)CS1 ZINC000235376805 344897321 /nfs/dbraw/zinc/89/73/21/344897321.db2.gz PUBSHYKFMQAORI-SVRRBLITSA-N 1 0 233.789 3.168 10 0 BGAERO CC1=C[C@H](C)C[C@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC000235377233 537890737 /nfs/dbraw/zinc/89/07/37/537890737.db2.gz FPUULFLVZXRPPV-QEJZJMRPSA-N 1 0 237.387 3.138 10 0 BGAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)[C@@H]2CCCO2)C1 ZINC000235386871 357859952 /nfs/dbraw/zinc/85/99/52/357859952.db2.gz BIQZCGMJHWVSDL-MXAVVETBSA-N 1 0 237.387 3.136 10 0 BGAERO CC1=C[C@H](C)C[C@@H](C[NH2+]CC[C@@H]2CCCO2)C1 ZINC000235387237 537890853 /nfs/dbraw/zinc/89/08/53/537890853.db2.gz FPUULFLVZXRPPV-CFVMTHIKSA-N 1 0 237.387 3.138 10 0 BGAERO C[C@@H]1Cc2c(Cl)ccc(Cl)c2C[NH2+]1 ZINC000235394173 398337226 /nfs/dbraw/zinc/33/72/26/398337226.db2.gz JNUQCANXNFDTEG-ZCFIWIBFSA-N 1 0 216.111 3.028 10 0 BGAERO C[C@@H]1Cc2c(c(Cl)ccc2Cl)[C@@H]1[NH3+] ZINC000235394355 398337234 /nfs/dbraw/zinc/33/72/34/398337234.db2.gz MYFAQGDVGYCECU-GPXNAGAYSA-N 1 0 216.111 3.185 10 0 BGAERO C[C@@H]1Cc2c(c(Cl)ccc2Cl)[C@H]1[NH3+] ZINC000235394539 398337169 /nfs/dbraw/zinc/33/71/69/398337169.db2.gz MYFAQGDVGYCECU-FWOIEVBISA-N 1 0 216.111 3.185 10 0 BGAERO C[C@@]1(c2cc(Cl)sc2Cl)C[C@@H]1C[NH3+] ZINC000235410370 343979574 /nfs/dbraw/zinc/97/95/74/343979574.db2.gz KHZDDIHHNMIQBE-MLUIRONXSA-N 1 0 236.167 3.291 10 0 BGAERO C[C@@]1(c2cc(Cl)sc2Cl)C[C@@H]1[NH3+] ZINC000235410519 343979388 /nfs/dbraw/zinc/97/93/88/343979388.db2.gz SBBCOMSKZJZQQX-XNCJUZBTSA-N 1 0 222.140 3.044 10 0 BGAERO C[C@@]1(c2cc(Cl)sc2Cl)C[C@H]1C[NH3+] ZINC000235410717 384390840 /nfs/dbraw/zinc/39/08/40/384390840.db2.gz KHZDDIHHNMIQBE-SSDLBLMSSA-N 1 0 236.167 3.291 10 0 BGAERO C[C@@]1(c2cc(Cl)sc2Cl)C[C@H]1[NH3+] ZINC000235410829 384392840 /nfs/dbraw/zinc/39/28/40/384392840.db2.gz SBBCOMSKZJZQQX-XRGYYRRGSA-N 1 0 222.140 3.044 10 0 BGAERO C[C@@]1(c2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000235421550 344906485 /nfs/dbraw/zinc/90/64/85/344906485.db2.gz DUFYJUFKKKNFKT-JTQLQIEISA-N 1 0 216.111 3.202 10 0 BGAERO C[C@@]1(c2csc(Cl)c2)CCC[NH2+]C1 ZINC000235434151 344910402 /nfs/dbraw/zinc/91/04/02/344910402.db2.gz WJMQIJPMYGTSSR-SNVBAGLBSA-N 1 0 215.749 3.043 10 0 BGAERO C[C@H](C[NH3+])c1cc(Cl)sc1Cl ZINC000235447557 344916870 /nfs/dbraw/zinc/91/68/70/344916870.db2.gz ANBPNFUBERNNGG-SCSAIBSYSA-N 1 0 210.129 3.117 10 0 BGAERO C[C@H]([NH3+])/C=C/c1cc(Cl)ccc1Cl ZINC000235481589 344923333 /nfs/dbraw/zinc/92/33/33/344923333.db2.gz CLOAWJIUZPHCID-AIYRYJHASA-N 1 0 216.111 3.354 10 0 BGAERO C/C(=C\c1ccc(F)cc1Cl)[C@H](C)[NH3+] ZINC000235490364 344923822 /nfs/dbraw/zinc/92/38/22/344923822.db2.gz CCQHAVNBARIYJX-IVGLGHLBSA-N 1 0 213.683 3.230 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)c1ccc(F)cc1Br ZINC000235493781 344925913 /nfs/dbraw/zinc/92/59/13/344925913.db2.gz YEQAKPILMHSTCF-RQJHMYQMSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@H](c1ccc(F)cc1Br)[C@H](C)[NH3+] ZINC000235493783 344926137 /nfs/dbraw/zinc/92/61/37/344926137.db2.gz YEQAKPILMHSTCF-BQBZGAKWSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@H](c1cccc(Br)c1F)[C@H](C)[NH3+] ZINC000235493816 344926062 /nfs/dbraw/zinc/92/60/62/344926062.db2.gz JOKDNVJSWDVYSR-BQBZGAKWSA-N 1 0 246.123 3.039 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)c1cccc(Br)c1F ZINC000235493818 344925811 /nfs/dbraw/zinc/92/58/11/344925811.db2.gz JOKDNVJSWDVYSR-RQJHMYQMSA-N 1 0 246.123 3.039 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C)c1 ZINC000235505392 487975343 /nfs/dbraw/zinc/97/53/43/487975343.db2.gz NJJMXLSVXRCCQS-GUTXKFCHSA-N 1 0 233.355 3.071 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@@H]1C ZINC000235505573 487975540 /nfs/dbraw/zinc/97/55/40/487975540.db2.gz FDQHSJQREOOSAE-MJBXVCDLSA-N 1 0 233.355 3.071 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C)c1 ZINC000235528229 487977322 /nfs/dbraw/zinc/97/73/22/487977322.db2.gz NJJMXLSVXRCCQS-GZBFAFLISA-N 1 0 233.355 3.071 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C ZINC000235528395 487977422 /nfs/dbraw/zinc/97/74/22/487977422.db2.gz FDQHSJQREOOSAE-BFHYXJOUSA-N 1 0 233.355 3.071 10 0 BGAERO C=Cn1cc(C[NH2+][C@@H](C)c2cccc(C)c2)cn1 ZINC000235535059 388371455 /nfs/dbraw/zinc/37/14/55/388371455.db2.gz AACQNWRIZYKDDN-ZDUSSCGKSA-N 1 0 241.338 3.143 10 0 BGAERO C[C@H]1C[C@]1([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000235587870 344948427 /nfs/dbraw/zinc/94/84/27/344948427.db2.gz JXCDGRAINLVYDO-QUBYGPBYSA-N 1 0 216.111 3.187 10 0 BGAERO Cc1ccc([C@H]2CC[NH2+][C@@H]2C)cc1Cl ZINC000235591467 344009705 /nfs/dbraw/zinc/00/97/05/344009705.db2.gz UWGPLCZECRGXTJ-KOLCDFICSA-N 1 0 209.720 3.114 10 0 BGAERO Cc1ccc([C@@H]2CC[NH2+][C@@H]2C)cc1Cl ZINC000235605875 410047470 /nfs/dbraw/zinc/04/74/70/410047470.db2.gz UWGPLCZECRGXTJ-MWLCHTKSSA-N 1 0 209.720 3.114 10 0 BGAERO C[C@H]1C[C@@]1([NH3+])c1cc(Cl)cc(Cl)c1 ZINC000235616982 344955870 /nfs/dbraw/zinc/95/58/70/344955870.db2.gz JXCDGRAINLVYDO-WKEGUHRASA-N 1 0 216.111 3.187 10 0 BGAERO Cc1ccc(C[NH2+][C@H]2C[C@@H]2C)c(Cl)c1 ZINC000235623126 344958741 /nfs/dbraw/zinc/95/87/41/344958741.db2.gz XBHHXFSZIQJOFN-CABZTGNLSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]1[NH2+]C[C@H](C)S1 ZINC000235657040 344972479 /nfs/dbraw/zinc/97/24/79/344972479.db2.gz KFTQYQXOXYTQFX-GZMMTYOYSA-N 1 0 227.760 3.372 10 0 BGAERO C[C@H]1CSC[C@@H](c2csc(Cl)c2)[NH2+]1 ZINC000235670370 344975180 /nfs/dbraw/zinc/97/51/80/344975180.db2.gz JVBAIASESUTVCM-XPUUQOCRSA-N 1 0 233.789 3.168 10 0 BGAERO Cc1cc(Cl)ccc1[C@H]1[NH2+]C[C@H](C)S1 ZINC000235686149 345171677 /nfs/dbraw/zinc/17/16/77/345171677.db2.gz KFTQYQXOXYTQFX-KWQFWETISA-N 1 0 227.760 3.372 10 0 BGAERO C[C@H]1C[NH2+][C@H](c2csc(Cl)c2)CS1 ZINC000235691546 344051299 /nfs/dbraw/zinc/05/12/99/344051299.db2.gz PUBSHYKFMQAORI-XPUUQOCRSA-N 1 0 233.789 3.168 10 0 BGAERO C[C@H]1Cc2c(Cl)ccc(Cl)c2C[NH2+]1 ZINC000235692946 345407592 /nfs/dbraw/zinc/40/75/92/345407592.db2.gz JNUQCANXNFDTEG-LURJTMIESA-N 1 0 216.111 3.028 10 0 BGAERO C[C@H]1Cc2c(c(Cl)ccc2Cl)[C@@H]1[NH3+] ZINC000235693017 344049857 /nfs/dbraw/zinc/04/98/57/344049857.db2.gz MYFAQGDVGYCECU-XUOSJQGZSA-N 1 0 216.111 3.185 10 0 BGAERO C[C@H]1Cc2c(c(Cl)ccc2Cl)[C@H]1[NH3+] ZINC000235693105 344049876 /nfs/dbraw/zinc/04/98/76/344049876.db2.gz MYFAQGDVGYCECU-RRAGMBSWSA-N 1 0 216.111 3.185 10 0 BGAERO CC1=C[C@@H](C)C[C@H](CNCC(F)(F)F)C1 ZINC000235700621 363450740 /nfs/dbraw/zinc/45/07/40/363450740.db2.gz LTRDURBKMQXGTL-SCZZXKLOSA-N 1 0 221.266 3.131 10 0 BGAERO C[C@]1(c2cc(Cl)sc2Cl)C[C@H]1C[NH3+] ZINC000235708721 345782530 /nfs/dbraw/zinc/78/25/30/345782530.db2.gz KHZDDIHHNMIQBE-CDUCUWFYSA-N 1 0 236.167 3.291 10 0 BGAERO C[C@]1(c2cc(Cl)sc2Cl)C[C@H]1[NH3+] ZINC000235708829 345782815 /nfs/dbraw/zinc/78/28/15/345782815.db2.gz SBBCOMSKZJZQQX-SVGQVSJJSA-N 1 0 222.140 3.044 10 0 BGAERO C[C@]1(c2cccc(Cl)c2Cl)CC[NH2+]1 ZINC000235718236 345793839 /nfs/dbraw/zinc/79/38/39/345793839.db2.gz DUFYJUFKKKNFKT-SNVBAGLBSA-N 1 0 216.111 3.202 10 0 BGAERO C[C@]1(c2csc(Cl)c2)CCC[NH2+]C1 ZINC000235727270 345807668 /nfs/dbraw/zinc/80/76/68/345807668.db2.gz WJMQIJPMYGTSSR-JTQLQIEISA-N 1 0 215.749 3.043 10 0 BGAERO C[C@H]1C[C@H](c2cc(Cl)ccc2Cl)C[NH2+]1 ZINC000235742271 344078999 /nfs/dbraw/zinc/07/89/99/344078999.db2.gz KQWRJPVSYMUBOB-YUMQZZPRSA-N 1 0 230.138 3.459 10 0 BGAERO Cc1ccc(CC(C)(C)C[NH3+])c(Cl)c1 ZINC000235747731 345840770 /nfs/dbraw/zinc/84/07/70/345840770.db2.gz MVOVEJRCMDFQRA-UHFFFAOYSA-N 1 0 211.736 3.176 10 0 BGAERO C/C(=C/C[NH3+])c1cc(Cl)sc1Cl ZINC000235752741 345843636 /nfs/dbraw/zinc/84/36/36/345843636.db2.gz OXPJUXQJJDYVAD-DJWKRKHSSA-N 1 0 222.140 3.417 10 0 BGAERO C/C(=C/C[NH3+])c1cccc(Cl)c1Cl ZINC000235753024 344090479 /nfs/dbraw/zinc/09/04/79/344090479.db2.gz LXYGIUJUUKCRQX-ALCCZGGFSA-N 1 0 216.111 3.355 10 0 BGAERO Cc1cc(NCCSC(F)(F)F)cc[nH+]1 ZINC000235777615 178162388 /nfs/dbraw/zinc/16/23/88/178162388.db2.gz MODCCTGXNSBDEZ-UHFFFAOYSA-N 1 0 236.262 3.055 10 0 BGAERO Cc1ccncc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000235779791 632828338 /nfs/dbraw/zinc/82/83/38/632828338.db2.gz SIYAMGIRQNYJAT-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccncc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000235779811 635587831 /nfs/dbraw/zinc/58/78/31/635587831.db2.gz SIYAMGIRQNYJAT-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccncc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000235779893 632828566 /nfs/dbraw/zinc/82/85/66/632828566.db2.gz IWNKECCMRVDZJD-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccncc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000235779926 632828537 /nfs/dbraw/zinc/82/85/37/632828537.db2.gz IWNKECCMRVDZJD-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccc(SC(C)(C)C)c(C[NH3+])c1 ZINC000235787992 345870631 /nfs/dbraw/zinc/87/06/31/345870631.db2.gz OQYDKZFWUVFJDB-UHFFFAOYSA-N 1 0 209.358 3.344 10 0 BGAERO Cc1ccsc1[C@@H]([NH3+])c1ccoc1Cl ZINC000235791718 345904964 /nfs/dbraw/zinc/90/49/64/345904964.db2.gz CPRCTEUAVFCSNA-QMMMGPOBSA-N 1 0 227.716 3.351 10 0 BGAERO Cc1cnccc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000235794672 488014490 /nfs/dbraw/zinc/01/44/90/488014490.db2.gz MJYWWUHATVEHBP-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cnccc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000235794689 488014463 /nfs/dbraw/zinc/01/44/63/488014463.db2.gz MJYWWUHATVEHBP-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cnccc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000235794740 488014038 /nfs/dbraw/zinc/01/40/38/488014038.db2.gz DATXDZBCYZXTEA-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cnccc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000235794763 488014799 /nfs/dbraw/zinc/01/47/99/488014799.db2.gz DATXDZBCYZXTEA-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccsc1[C@H]([NH3+])c1ccoc1Cl ZINC000235809610 345915692 /nfs/dbraw/zinc/91/56/92/345915692.db2.gz CPRCTEUAVFCSNA-MRVPVSSYSA-N 1 0 227.716 3.351 10 0 BGAERO Cc1sccc1[C@@H]([NH3+])c1ccoc1Cl ZINC000235813087 345924665 /nfs/dbraw/zinc/92/46/65/345924665.db2.gz UOQDPHMVKCONPW-SECBINFHSA-N 1 0 227.716 3.351 10 0 BGAERO Cc1sccc1[C@H]([NH3+])c1ccoc1Cl ZINC000235819248 345925422 /nfs/dbraw/zinc/92/54/22/345925422.db2.gz UOQDPHMVKCONPW-VIFPVBQESA-N 1 0 227.716 3.351 10 0 BGAERO Cc1cc(Cl)c2c(c1)[C@H]([NH3+])CCSC2 ZINC000235850023 345947857 /nfs/dbraw/zinc/94/78/57/345947857.db2.gz LAUOHHNDZMULLL-LLVKDONJSA-N 1 0 227.760 3.285 10 0 BGAERO Cc1cc(Cl)c2c(c1)[C@@H]([NH3+])CCSC2 ZINC000235850110 344148059 /nfs/dbraw/zinc/14/80/59/344148059.db2.gz LAUOHHNDZMULLL-NSHDSACASA-N 1 0 227.760 3.285 10 0 BGAERO Cc1ccc(C[NH2+]C2(C)CC2)cc1Cl ZINC000235856946 350725072 /nfs/dbraw/zinc/72/50/72/350725072.db2.gz ISUIJBVMWZNPOB-UHFFFAOYSA-N 1 0 209.720 3.291 10 0 BGAERO Cc1ccc(C=C2CC([NH3+])C2)c(Cl)c1 ZINC000235872701 350725385 /nfs/dbraw/zinc/72/53/85/350725385.db2.gz UDSQBNQZJKOFIA-UHFFFAOYSA-N 1 0 207.704 3.153 10 0 BGAERO Cc1ccc(C[NH2+]Cc2ccccn2)cc1Cl ZINC000235891850 537905361 /nfs/dbraw/zinc/90/53/61/537905361.db2.gz XZRLBCLQZCAIFD-UHFFFAOYSA-N 1 0 246.741 3.333 10 0 BGAERO Cc1ccc(CC2([NH3+])CCC2)c(Cl)c1 ZINC000235909824 345957756 /nfs/dbraw/zinc/95/77/56/345957756.db2.gz WELQTLHQRMOIGW-UHFFFAOYSA-N 1 0 209.720 3.072 10 0 BGAERO Cc1csc([C@@H]([NH3+])c2ccoc2)c1Cl ZINC000235940874 346173463 /nfs/dbraw/zinc/17/34/63/346173463.db2.gz PDLMTQGBNPWCES-VIFPVBQESA-N 1 0 227.716 3.351 10 0 BGAERO Cc1csc([C@H]([NH3+])c2ccoc2)c1Cl ZINC000235952784 346175136 /nfs/dbraw/zinc/17/51/36/346175136.db2.gz PDLMTQGBNPWCES-SECBINFHSA-N 1 0 227.716 3.351 10 0 BGAERO Cc1cnn(CC[NH2+][C@@H]2CCCC(C)(C)CC2)c1 ZINC000235953285 343067383 /nfs/dbraw/zinc/06/73/83/343067383.db2.gz GPAOXHZYSWJVLR-CQSZACIVSA-N 1 0 249.402 3.140 10 0 BGAERO Cc1cnn(CC[NH2+][C@H]2CCCC(C)(C)CC2)c1 ZINC000235954013 343067878 /nfs/dbraw/zinc/06/78/78/343067878.db2.gz GPAOXHZYSWJVLR-AWEZNQCLSA-N 1 0 249.402 3.140 10 0 BGAERO Cc1cc(-c2ccc3c(c2)CC[C@@H]3[NH3+])ccn1 ZINC000235975659 631533497 /nfs/dbraw/zinc/53/34/97/631533497.db2.gz NAWYZFLGKSUGCQ-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cc(-c2ccc3c(c2)CC[C@H]3[NH3+])ccn1 ZINC000235975709 632856757 /nfs/dbraw/zinc/85/67/57/632856757.db2.gz NAWYZFLGKSUGCQ-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cc(-c2cccc3c2CC[C@@H]3[NH3+])ccn1 ZINC000235976165 635592939 /nfs/dbraw/zinc/59/29/39/635592939.db2.gz RNVBJTVZSCQZLR-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cc(-c2cccc3c2CC[C@H]3[NH3+])ccn1 ZINC000235976223 635592931 /nfs/dbraw/zinc/59/29/31/635592931.db2.gz RNVBJTVZSCQZLR-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccc(-c2ccc3c(c2)CC[C@@H]3[NH3+])cn1 ZINC000235999507 632861071 /nfs/dbraw/zinc/86/10/71/632861071.db2.gz LSMUEWXASDMGBQ-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccc(-c2ccc3c(c2)CC[C@H]3[NH3+])cn1 ZINC000235999582 632861548 /nfs/dbraw/zinc/86/15/48/632861548.db2.gz LSMUEWXASDMGBQ-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccc(-c2cccc3c2CC[C@@H]3[NH3+])cn1 ZINC000235999944 632861173 /nfs/dbraw/zinc/86/11/73/632861173.db2.gz DMVAODCPONESFD-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1ccc(-c2cccc3c2CC[C@H]3[NH3+])cn1 ZINC000236000032 632861271 /nfs/dbraw/zinc/86/12/71/632861271.db2.gz DMVAODCPONESFD-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cncc(-c2ccc3c(c2)CC[C@@H]3[NH3+])c1 ZINC000236005979 488036942 /nfs/dbraw/zinc/03/69/42/488036942.db2.gz YGTVLQSTVKJKRV-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cncc(-c2ccc3c(c2)CC[C@H]3[NH3+])c1 ZINC000236005986 488036918 /nfs/dbraw/zinc/03/69/18/488036918.db2.gz YGTVLQSTVKJKRV-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cncc(-c2cccc3c2CC[C@@H]3[NH3+])c1 ZINC000236006015 488037172 /nfs/dbraw/zinc/03/71/72/488037172.db2.gz ZYWPJAFEORFHEB-HNNXBMFYSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cncc(-c2cccc3c2CC[C@H]3[NH3+])c1 ZINC000236006023 488036903 /nfs/dbraw/zinc/03/69/03/488036903.db2.gz ZYWPJAFEORFHEB-OAHLLOKOSA-N 1 0 224.307 3.003 10 0 BGAERO Cc1cn2c([nH+]1)N[C@H](c1sccc1C)CC2 ZINC000236044428 582636716 /nfs/dbraw/zinc/63/67/16/582636716.db2.gz WGRGQOVRBRHVKH-JTQLQIEISA-N 1 0 233.340 3.118 10 0 BGAERO Cc1cn2c([nH+]1)N[C@@H](c1sccc1C)CC2 ZINC000236044915 582637281 /nfs/dbraw/zinc/63/72/81/582637281.db2.gz WGRGQOVRBRHVKH-SNVBAGLBSA-N 1 0 233.340 3.118 10 0 BGAERO Cc1cn2c([nH+]1)NCC[C@@H]2C1CCCCC1 ZINC000236045275 582637166 /nfs/dbraw/zinc/63/71/66/582637166.db2.gz VBBLENIJASPTEY-GFCCVEGCSA-N 1 0 219.332 3.129 10 0 BGAERO Cc1cn2c([nH+]1)NCC[C@H]2C1CCCCC1 ZINC000236046135 583210782 /nfs/dbraw/zinc/21/07/82/583210782.db2.gz VBBLENIJASPTEY-LBPRGKRZSA-N 1 0 219.332 3.129 10 0 BGAERO Clc1cc(/C=C/[C@@H]2CCC[NH2+]2)cs1 ZINC000236062498 346187055 /nfs/dbraw/zinc/18/70/55/346187055.db2.gz OXYVERUWWRXNOB-NWALNABHSA-N 1 0 213.733 3.167 10 0 BGAERO Clc1cc(/C=C/[C@H]2CCC[NH2+]2)cs1 ZINC000236062582 346186999 /nfs/dbraw/zinc/18/69/99/346186999.db2.gz OXYVERUWWRXNOB-CDAZIORVSA-N 1 0 213.733 3.167 10 0 BGAERO Clc1cc([C@@H]2CCC[NH2+]2)c(Cl)s1 ZINC000236070409 344293687 /nfs/dbraw/zinc/29/36/87/344293687.db2.gz ADALGDLBCJCDLJ-LURJTMIESA-N 1 0 222.140 3.479 10 0 BGAERO Clc1cc([C@@H]2CC[NH2+]2)c(Cl)s1 ZINC000236070422 346187778 /nfs/dbraw/zinc/18/77/78/346187778.db2.gz WCACVUMCIVCZCF-YFKPBYRVSA-N 1 0 208.113 3.089 10 0 BGAERO O=C(C[C@@H]1CCCC[NH2+]1)c1csc(Cl)c1 ZINC000236070505 582638070 /nfs/dbraw/zinc/63/80/70/582638070.db2.gz LAMUTLZCPMLSME-VIFPVBQESA-N 1 0 243.759 3.116 10 0 BGAERO Clc1cc([C@@H]2CSCCC[NH2+]2)cs1 ZINC000236070582 346187577 /nfs/dbraw/zinc/18/75/77/346187577.db2.gz UVBJPUWDHLUAFN-QMMMGPOBSA-N 1 0 233.789 3.169 10 0 BGAERO O=C(C[C@H]1CCCC[NH2+]1)c1csc(Cl)c1 ZINC000236070593 582638119 /nfs/dbraw/zinc/63/81/19/582638119.db2.gz LAMUTLZCPMLSME-SECBINFHSA-N 1 0 243.759 3.116 10 0 BGAERO Clc1cc([C@H]2CCC[NH2+]2)c(Cl)s1 ZINC000236072442 346189159 /nfs/dbraw/zinc/18/91/59/346189159.db2.gz ADALGDLBCJCDLJ-ZCFIWIBFSA-N 1 0 222.140 3.479 10 0 BGAERO Clc1cc([C@H]2CC[NH2+]2)c(Cl)s1 ZINC000236072456 344292892 /nfs/dbraw/zinc/29/28/92/344292892.db2.gz WCACVUMCIVCZCF-RXMQYKEDSA-N 1 0 208.113 3.089 10 0 BGAERO Clc1cc([C@H]2CSCCC[NH2+]2)cs1 ZINC000236072577 344292817 /nfs/dbraw/zinc/29/28/17/344292817.db2.gz UVBJPUWDHLUAFN-MRVPVSSYSA-N 1 0 233.789 3.169 10 0 BGAERO F[C@@H](Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000236139068 344301707 /nfs/dbraw/zinc/30/17/07/344301707.db2.gz JSRHMFDHSPQEIJ-IUCAKERBSA-N 1 0 233.739 3.034 10 0 BGAERO F[C@@H](Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000236139095 346197243 /nfs/dbraw/zinc/19/72/43/346197243.db2.gz JSRHMFDHSPQEIJ-DTWKUNHWSA-N 1 0 233.739 3.034 10 0 BGAERO F[C@H](c1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000236143446 346197881 /nfs/dbraw/zinc/19/78/81/346197881.db2.gz VGPFMUVVUVYOCB-RCOVLWMOSA-N 1 0 219.712 3.164 10 0 BGAERO F[C@H](c1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000236145909 346197164 /nfs/dbraw/zinc/19/71/64/346197164.db2.gz VGPFMUVVUVYOCB-MUWHJKNJSA-N 1 0 219.712 3.164 10 0 BGAERO F[C@H](Cc1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000236155715 346200395 /nfs/dbraw/zinc/20/03/95/346200395.db2.gz JSRHMFDHSPQEIJ-BDAKNGLRSA-N 1 0 233.739 3.034 10 0 BGAERO F[C@H](Cc1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000236155785 398307276 /nfs/dbraw/zinc/30/72/76/398307276.db2.gz JSRHMFDHSPQEIJ-RKDXNWHRSA-N 1 0 233.739 3.034 10 0 BGAERO [NH3+]CCCCCCNc1nccc2ccccc21 ZINC000236169454 631562405 /nfs/dbraw/zinc/56/24/05/631562405.db2.gz LOKMIGNCFPZICV-UHFFFAOYSA-N 1 0 243.354 3.166 10 0 BGAERO [NH3+]CCCCCCNc1ccc2ccccc2n1 ZINC000236172334 711672585 /nfs/dbraw/zinc/67/25/85/711672585.db2.gz GVAYHRLAVNJAJI-UHFFFAOYSA-N 1 0 243.354 3.166 10 0 BGAERO [NH3+]CCCCCCNc1nc2ccccc2s1 ZINC000236173163 711672355 /nfs/dbraw/zinc/67/23/55/711672355.db2.gz QGSVOJPWDROBCR-UHFFFAOYSA-N 1 0 249.383 3.227 10 0 BGAERO F[C@@H](c1ccc(Cl)s1)[C@@H]1CCC[NH2+]1 ZINC000236178137 344307696 /nfs/dbraw/zinc/30/76/96/344307696.db2.gz VGPFMUVVUVYOCB-IMTBSYHQSA-N 1 0 219.712 3.164 10 0 BGAERO [NH3+]C/C=C/c1cc(Br)ccc1Cl ZINC000236182505 398308948 /nfs/dbraw/zinc/30/89/48/398308948.db2.gz HUGBTERULYUGOC-OWOJBTEDSA-N 1 0 246.535 3.074 10 0 BGAERO [NH3+]C/C=C/c1ccc(Br)c(Cl)c1 ZINC000236183308 346204574 /nfs/dbraw/zinc/20/45/74/346204574.db2.gz RKZGKKFNEPQARF-OWOJBTEDSA-N 1 0 246.535 3.074 10 0 BGAERO [NH3+]C1CC(c2cc(Cl)sc2Cl)C1 ZINC000236183352 346204340 /nfs/dbraw/zinc/20/43/40/346204340.db2.gz CZYVREUGIKTSEY-UHFFFAOYSA-N 1 0 222.140 3.260 10 0 BGAERO F[C@@H](c1ccc(Cl)s1)[C@H]1CCC[NH2+]1 ZINC000236196522 346206073 /nfs/dbraw/zinc/20/60/73/346206073.db2.gz VGPFMUVVUVYOCB-HZGVNTEJSA-N 1 0 219.712 3.164 10 0 BGAERO [NH3+]Cc1occc1-c1ccc(Cl)s1 ZINC000236259341 346216540 /nfs/dbraw/zinc/21/65/40/346216540.db2.gz NXVZLWJGCWNOKB-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO [NH3+]Cc1coc(-c2cc(Cl)sc2Cl)n1 ZINC000236261291 346217817 /nfs/dbraw/zinc/21/78/17/346217817.db2.gz MZASKMIDSKILTB-UHFFFAOYSA-N 1 0 249.122 3.169 10 0 BGAERO [NH3+]C1CC(=Cc2cc(Br)cs2)C1 ZINC000236276199 344330491 /nfs/dbraw/zinc/33/04/91/344330491.db2.gz XOBUQFAYURRVGB-UHFFFAOYSA-N 1 0 244.157 3.015 10 0 BGAERO [NH3+]C1CC(=Cc2ccc(Br)s2)C1 ZINC000236276554 346218251 /nfs/dbraw/zinc/21/82/51/346218251.db2.gz GVITZGCTQJCYCW-UHFFFAOYSA-N 1 0 244.157 3.015 10 0 BGAERO [NH3+]C1CC(=Cc2sccc2Br)C1 ZINC000236277416 346218115 /nfs/dbraw/zinc/21/81/15/346218115.db2.gz XOMSFDNELQHBKN-UHFFFAOYSA-N 1 0 244.157 3.015 10 0 BGAERO [NH3+]Cc1ccc(F)cc1-c1cccs1 ZINC000236283270 346220435 /nfs/dbraw/zinc/22/04/35/346220435.db2.gz BCYBRSXYOROXAW-UHFFFAOYSA-N 1 0 207.273 3.013 10 0 BGAERO [NH3+][C@@H](c1ccsc1)c1ccoc1Cl ZINC000236289025 346220961 /nfs/dbraw/zinc/22/09/61/346220961.db2.gz VZPGTVLCDGHOMM-QMMMGPOBSA-N 1 0 213.689 3.043 10 0 BGAERO [NH3+][C@H](c1ccoc1Br)C1CCCC1 ZINC000236291826 346222793 /nfs/dbraw/zinc/22/27/93/346222793.db2.gz HKPRIAWVQYRLJF-VIFPVBQESA-N 1 0 244.132 3.232 10 0 BGAERO [NH3+][C@H](C1=CCCCC1)[C@H]1CCCCS1 ZINC000236300519 346223261 /nfs/dbraw/zinc/22/32/61/346223261.db2.gz QEUQYVFVCODQDA-VXGBXAGGSA-N 1 0 211.374 3.100 10 0 BGAERO [NH3+][C@H](c1ccoc1Br)C1=CCCC1 ZINC000236304299 346225522 /nfs/dbraw/zinc/22/55/22/346225522.db2.gz QXYZOUNKDNJORP-VIFPVBQESA-N 1 0 242.116 3.152 10 0 BGAERO [NH3+][C@@H](c1ccoc1Br)C1CCCC1 ZINC000236306592 346223562 /nfs/dbraw/zinc/22/35/62/346223562.db2.gz HKPRIAWVQYRLJF-SECBINFHSA-N 1 0 244.132 3.232 10 0 BGAERO [NH3+][C@H](C1=CCCCC1)[C@@H]1CCCCS1 ZINC000236308838 346224259 /nfs/dbraw/zinc/22/42/59/346224259.db2.gz QEUQYVFVCODQDA-NWDGAFQWSA-N 1 0 211.374 3.100 10 0 BGAERO [NH3+][C@@H](c1ccoc1Br)C1=CCCC1 ZINC000236313807 346224751 /nfs/dbraw/zinc/22/47/51/346224751.db2.gz QXYZOUNKDNJORP-SECBINFHSA-N 1 0 242.116 3.152 10 0 BGAERO [NH3+][C@@H](c1cccs1)c1ccoc1Cl ZINC000236317459 346224758 /nfs/dbraw/zinc/22/47/58/346224758.db2.gz ZWIZOKBGBZWRMJ-MRVPVSSYSA-N 1 0 213.689 3.043 10 0 BGAERO [NH3+][C@@H](C1=CCCCC1)[C@H]1CCCCS1 ZINC000236320473 346224703 /nfs/dbraw/zinc/22/47/03/346224703.db2.gz QEUQYVFVCODQDA-NEPJUHHUSA-N 1 0 211.374 3.100 10 0 BGAERO [NH3+][C@@H](C1=CCCCC1)[C@@H]1CCCCS1 ZINC000236328821 346226189 /nfs/dbraw/zinc/22/61/89/346226189.db2.gz QEUQYVFVCODQDA-RYUDHWBXSA-N 1 0 211.374 3.100 10 0 BGAERO [NH3+][C@H](c1cccs1)c1ccoc1Cl ZINC000236329871 346226135 /nfs/dbraw/zinc/22/61/35/346226135.db2.gz ZWIZOKBGBZWRMJ-QMMMGPOBSA-N 1 0 213.689 3.043 10 0 BGAERO [NH3+][C@H](c1ccsc1)c1ccoc1Cl ZINC000236332768 344356261 /nfs/dbraw/zinc/35/62/61/344356261.db2.gz VZPGTVLCDGHOMM-MRVPVSSYSA-N 1 0 213.689 3.043 10 0 BGAERO Nc1c(NCc2ccccc2)ccc2c[nH+]ccc21 ZINC000236355137 346228854 /nfs/dbraw/zinc/22/88/54/346228854.db2.gz MMLOKIDBGHGENJ-UHFFFAOYSA-N 1 0 249.317 3.429 10 0 BGAERO Nc1[nH]cc(-c2cc(Cl)sc2Cl)[nH+]1 ZINC000236390921 346234360 /nfs/dbraw/zinc/23/43/60/346234360.db2.gz UIJQUEFVLIHAEH-UHFFFAOYSA-N 1 0 234.111 3.027 10 0 BGAERO OCc1cccc(C[NH2+]CCC2CCCCC2)c1 ZINC000236519319 259676523 /nfs/dbraw/zinc/67/65/23/259676523.db2.gz GNHRNBZIWODFCX-UHFFFAOYSA-N 1 0 247.382 3.239 10 0 BGAERO CC(C)[C@@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000236608978 259676929 /nfs/dbraw/zinc/67/69/29/259676929.db2.gz RGCFAUDLQVQQBB-NFAWXSAZSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@@](C)(O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000236609008 388381432 /nfs/dbraw/zinc/38/14/32/388381432.db2.gz RGCFAUDLQVQQBB-IPYPFGDCSA-N 1 0 241.419 3.198 10 0 BGAERO Cc1ncccc1C[NH2+]CC1CCC(C)CC1 ZINC000236664071 346284164 /nfs/dbraw/zinc/28/41/64/346284164.db2.gz CBBIJXILGVWMIM-UHFFFAOYSA-N 1 0 232.371 3.306 10 0 BGAERO CC(C)[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000236694080 388382290 /nfs/dbraw/zinc/38/22/90/388382290.db2.gz RGCFAUDLQVQQBB-UMVBOHGHSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@](C)(O)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000236694112 259677872 /nfs/dbraw/zinc/67/78/72/259677872.db2.gz RGCFAUDLQVQQBB-VNHYZAJKSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)=CC[NH2+]CCCOC1CCCCC1 ZINC000236731380 192089591 /nfs/dbraw/zinc/08/95/91/192089591.db2.gz OMSDYLVFUYWQTA-UHFFFAOYSA-N 1 0 225.376 3.282 10 0 BGAERO CCCOc1ncccc1C[NH2+]CCC(C)C ZINC000236980092 169328572 /nfs/dbraw/zinc/32/85/72/169328572.db2.gz MBKCKGXSHRNWDC-UHFFFAOYSA-N 1 0 236.359 3.006 10 0 BGAERO CCOCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC000236982742 170458101 /nfs/dbraw/zinc/45/81/01/170458101.db2.gz QXNGOVMUYHGGIJ-UHFFFAOYSA-N 1 0 235.371 3.359 10 0 BGAERO CO[C@@H](C[NH2+]CCC(C)C)c1ccccc1 ZINC000237081603 174732213 /nfs/dbraw/zinc/73/22/13/174732213.db2.gz CSHNVWWNOPTJQK-AWEZNQCLSA-N 1 0 221.344 3.010 10 0 BGAERO COc1ccc(C)cc1CC[NH2+]CC=C(C)C ZINC000237194468 175074507 /nfs/dbraw/zinc/07/45/07/175074507.db2.gz HGIGKLBYYJDKJX-UHFFFAOYSA-N 1 0 233.355 3.102 10 0 BGAERO COc1ccc(C)cc1CC[NH2+]CCC(C)C ZINC000237194558 175075036 /nfs/dbraw/zinc/07/50/36/175075036.db2.gz XMAPQRHGJKWYRH-UHFFFAOYSA-N 1 0 235.371 3.182 10 0 BGAERO CCn1c2ccccc2nc1[C@@H](C)[NH2+]CC1CC1 ZINC000237218157 350747869 /nfs/dbraw/zinc/74/78/69/350747869.db2.gz HWJDIVLNGQJMOB-LLVKDONJSA-N 1 0 243.354 3.117 10 0 BGAERO CCn1c2ccccc2nc1[C@H](C)[NH2+]CC1CC1 ZINC000237223888 350747619 /nfs/dbraw/zinc/74/76/19/350747619.db2.gz HWJDIVLNGQJMOB-NSHDSACASA-N 1 0 243.354 3.117 10 0 BGAERO c1ccc([C@@]23CCCCC2=CCC[NH2+]3)cc1 ZINC000238000803 343236574 /nfs/dbraw/zinc/23/65/74/343236574.db2.gz INGJNBILPQCYCR-HNNXBMFYSA-N 1 0 213.324 3.376 10 0 BGAERO c1ccc([C@]23CCCCC2=CCC[NH2+]3)cc1 ZINC000238004680 343238434 /nfs/dbraw/zinc/23/84/34/343238434.db2.gz INGJNBILPQCYCR-OAHLLOKOSA-N 1 0 213.324 3.376 10 0 BGAERO CC(=[NH2+])NCc1ccc(C(C)(C)C)cc1 ZINC000238031518 360538922 /nfs/dbraw/zinc/53/89/22/360538922.db2.gz WHFOUSSEHDFZBI-UHFFFAOYSA-N 1 0 204.317 3.071 10 0 BGAERO c1cc(-c2ccc3c(c2)C[NH2+]C3)cs1 ZINC000238042992 643257841 /nfs/dbraw/zinc/25/78/41/643257841.db2.gz OFCHTGBNDNLMEE-UHFFFAOYSA-N 1 0 201.294 3.018 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1c(Cl)cncc1Cl ZINC000238134955 344973130 /nfs/dbraw/zinc/97/31/30/344973130.db2.gz OJIMEJDPUILPGQ-VIFPVBQESA-N 1 0 233.142 3.434 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000238141054 711604785 /nfs/dbraw/zinc/60/47/85/711604785.db2.gz YFBFSBICAJPMKP-JTQLQIEISA-N 1 0 213.708 3.092 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1ccsc1Cl ZINC000238143507 360624483 /nfs/dbraw/zinc/62/44/83/360624483.db2.gz KYJPQICEXBBRTJ-ZETCQYMHSA-N 1 0 203.738 3.447 10 0 BGAERO CC(C)([NH3+])c1c(Cl)cccc1Br ZINC000238144879 360626089 /nfs/dbraw/zinc/62/60/89/360626089.db2.gz JRIVFBPLNWWYCU-UHFFFAOYSA-N 1 0 248.551 3.296 10 0 BGAERO CC(C)([NH3+])c1ccc(C(F)(F)F)cc1F ZINC000238151753 487664521 /nfs/dbraw/zinc/66/45/21/487664521.db2.gz KCBOOUVDLMPKHD-UHFFFAOYSA-N 1 0 221.197 3.038 10 0 BGAERO CC(C)([NH3+])c1ccc(SC(F)(F)F)cc1 ZINC000238154405 385224055 /nfs/dbraw/zinc/22/40/55/385224055.db2.gz PJIQFUNGEMYSDF-UHFFFAOYSA-N 1 0 235.274 3.492 10 0 BGAERO Cc1cccc(Br)c1[C@H]([NH3+])C(C)C ZINC000238165590 344982328 /nfs/dbraw/zinc/98/23/28/344982328.db2.gz DTJNNDJRICVSNN-LLVKDONJSA-N 1 0 242.160 3.413 10 0 BGAERO Cc1cccc(Br)c1[C@@H]([NH3+])C(C)C ZINC000238167417 344980624 /nfs/dbraw/zinc/98/06/24/344980624.db2.gz DTJNNDJRICVSNN-NSHDSACASA-N 1 0 242.160 3.413 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1c(Cl)cncc1Cl ZINC000238171407 344981211 /nfs/dbraw/zinc/98/12/11/344981211.db2.gz OJIMEJDPUILPGQ-SECBINFHSA-N 1 0 233.142 3.434 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000238173831 344983371 /nfs/dbraw/zinc/98/33/71/344983371.db2.gz UNIQOFSIBJIUQG-MRVPVSSYSA-N 1 0 233.142 3.434 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000238174721 642792648 /nfs/dbraw/zinc/79/26/48/642792648.db2.gz YFBFSBICAJPMKP-SNVBAGLBSA-N 1 0 213.708 3.092 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ccsc1Cl ZINC000238176335 398235576 /nfs/dbraw/zinc/23/55/76/398235576.db2.gz KYJPQICEXBBRTJ-SSDOTTSWSA-N 1 0 203.738 3.447 10 0 BGAERO CC(C)[C@H]([NH3+])c1ccsc1Br ZINC000238182612 344984723 /nfs/dbraw/zinc/98/47/23/344984723.db2.gz HDQXRUWIDFLBRW-ZETCQYMHSA-N 1 0 234.162 3.166 10 0 BGAERO CCC(=[NH2+])NCc1ccc(C(C)(C)C)cc1 ZINC000238187070 360686623 /nfs/dbraw/zinc/68/66/23/360686623.db2.gz KZNYCBBLXDZNCB-UHFFFAOYSA-N 1 0 218.344 3.461 10 0 BGAERO CCCCCC[NH2+][C@@H]1CCCC[C@H]1F ZINC000238188766 360686296 /nfs/dbraw/zinc/68/62/96/360686296.db2.gz NFHWNGROWDYCKE-VXGBXAGGSA-N 1 0 201.329 3.437 10 0 BGAERO CCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000238212710 343252514 /nfs/dbraw/zinc/25/25/14/343252514.db2.gz XZAOHIZHVUPLSQ-ZDUSSCGKSA-N 1 0 203.329 3.106 10 0 BGAERO CCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC000238213073 343252662 /nfs/dbraw/zinc/25/26/62/343252662.db2.gz XZAOHIZHVUPLSQ-CYBMUJFWSA-N 1 0 203.329 3.106 10 0 BGAERO CCCC[NH2+]CC[C@@H]1CCc2ccccc21 ZINC000238239412 343252644 /nfs/dbraw/zinc/25/26/44/343252644.db2.gz LUXGJQZLBUKVRR-AWEZNQCLSA-N 1 0 217.356 3.496 10 0 BGAERO CCCC[NH2+]CC[C@H]1CCc2ccccc21 ZINC000238239482 343252391 /nfs/dbraw/zinc/25/23/91/343252391.db2.gz LUXGJQZLBUKVRR-CQSZACIVSA-N 1 0 217.356 3.496 10 0 BGAERO CCCC[NH2+]C[C@@H]1Cc2ccccc2[C@@H]1C ZINC000238240960 343252480 /nfs/dbraw/zinc/25/24/80/343252480.db2.gz YYDVNIAEQGDHEK-OCCSQVGLSA-N 1 0 217.356 3.352 10 0 BGAERO CCCC[NH2+]C[C@@H]1Cc2ccccc2[C@H]1C ZINC000238240974 343252522 /nfs/dbraw/zinc/25/25/22/343252522.db2.gz YYDVNIAEQGDHEK-JSGCOSHPSA-N 1 0 217.356 3.352 10 0 BGAERO CCCC[NH2+]C[C@H]1Cc2ccccc2[C@@H]1C ZINC000238242132 343252441 /nfs/dbraw/zinc/25/24/41/343252441.db2.gz YYDVNIAEQGDHEK-TZMCWYRMSA-N 1 0 217.356 3.352 10 0 BGAERO CCCC[NH2+]C[C@H]1Cc2ccccc2[C@H]1C ZINC000238242144 343252519 /nfs/dbraw/zinc/25/25/19/343252519.db2.gz YYDVNIAEQGDHEK-GXTWGEPZSA-N 1 0 217.356 3.352 10 0 BGAERO CC[C@@H]([NH3+])c1c(C)cccc1Br ZINC000238267633 345005006 /nfs/dbraw/zinc/00/50/06/345005006.db2.gz CZSMHOCYEJTPLF-SECBINFHSA-N 1 0 228.133 3.167 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(C(F)(F)F)s1 ZINC000238277992 384573226 /nfs/dbraw/zinc/57/32/26/384573226.db2.gz RGPRRPFTALPNNZ-RXMQYKEDSA-N 1 0 209.236 3.177 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(C(F)F)c(F)c1 ZINC000238278007 343253462 /nfs/dbraw/zinc/25/34/62/343253462.db2.gz WIEURJPBXHJVCA-SECBINFHSA-N 1 0 203.207 3.173 10 0 BGAERO CC[C@@H]([NH3+])c1cscc1C(F)(F)F ZINC000238286812 345009456 /nfs/dbraw/zinc/00/94/56/345009456.db2.gz NILNXEHDWNPIGB-SSDOTTSWSA-N 1 0 209.236 3.177 10 0 BGAERO CCc1[nH]c2cc(C)ccc2c1C[NH+](C)C ZINC000238296438 343253863 /nfs/dbraw/zinc/25/38/63/343253863.db2.gz PBIVOMFABCCZLO-UHFFFAOYSA-N 1 0 216.328 3.100 10 0 BGAERO CCc1[nH]c2ccc(C)cc2c1C[NH+](C)C ZINC000238296513 343253780 /nfs/dbraw/zinc/25/37/80/343253780.db2.gz OSOSWLGGNGODMI-UHFFFAOYSA-N 1 0 216.328 3.100 10 0 BGAERO CC[C@H]([NH3+])c1c(C)cccc1Br ZINC000238308277 345019628 /nfs/dbraw/zinc/01/96/28/345019628.db2.gz CZSMHOCYEJTPLF-VIFPVBQESA-N 1 0 228.133 3.167 10 0 BGAERO CC[C@H]([NH3+])c1ccc(C(F)(F)F)s1 ZINC000238315138 345021222 /nfs/dbraw/zinc/02/12/22/345021222.db2.gz RGPRRPFTALPNNZ-YFKPBYRVSA-N 1 0 209.236 3.177 10 0 BGAERO C[NH2+]C1(c2ccc(Cl)cc2Cl)CC1 ZINC000238317211 259325644 /nfs/dbraw/zinc/32/56/44/259325644.db2.gz KPWZNKLNPPIMQU-UHFFFAOYSA-N 1 0 216.111 3.202 10 0 BGAERO CC[C@H]([NH3+])c1cscc1C(F)(F)F ZINC000238320358 398338607 /nfs/dbraw/zinc/33/86/07/398338607.db2.gz NILNXEHDWNPIGB-ZETCQYMHSA-N 1 0 209.236 3.177 10 0 BGAERO C[NH2+][C@@H](C)c1cc(F)cc(C(F)(F)F)c1 ZINC000238326199 343255230 /nfs/dbraw/zinc/25/52/30/343255230.db2.gz NTRRXIADOHPEOK-LURJTMIESA-N 1 0 221.197 3.125 10 0 BGAERO C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1F ZINC000238330634 360875335 /nfs/dbraw/zinc/87/53/35/360875335.db2.gz MRGYDZJHSZBSIZ-RXMQYKEDSA-N 1 0 222.090 3.413 10 0 BGAERO COc1cccc2[nH]c3c(ccnc3C)c21 ZINC000238366612 175297526 /nfs/dbraw/zinc/29/75/26/175297526.db2.gz NPOJBDYAHLOOTL-UHFFFAOYSA-N 1 0 212.252 3.033 10 0 BGAERO C[C@@H]([NH2+]C1CC1)c1cnc(Cl)c(Cl)c1 ZINC000238375103 343255635 /nfs/dbraw/zinc/25/56/35/343255635.db2.gz OUTHEXPSSDQKQW-ZCFIWIBFSA-N 1 0 231.126 3.201 10 0 BGAERO CSc1cccc([C@@H]([NH3+])C2CCC2)c1 ZINC000238383564 345037005 /nfs/dbraw/zinc/03/70/05/345037005.db2.gz LKGBEVAYCXFECL-LBPRGKRZSA-N 1 0 207.342 3.208 10 0 BGAERO CSc1cccc([C@H]([NH3+])C2CCC2)c1 ZINC000238384553 345037617 /nfs/dbraw/zinc/03/76/17/345037617.db2.gz LKGBEVAYCXFECL-GFCCVEGCSA-N 1 0 207.342 3.208 10 0 BGAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@@H]1c1cccc(F)c1 ZINC000238420988 582670731 /nfs/dbraw/zinc/67/07/31/582670731.db2.gz WMASHPWDCGULNR-QCZZGDTMSA-N 1 0 219.303 3.070 10 0 BGAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@@H]1c1cccc(F)c1 ZINC000238422155 582670727 /nfs/dbraw/zinc/67/07/27/582670727.db2.gz WMASHPWDCGULNR-HERUPUMHSA-N 1 0 219.303 3.070 10 0 BGAERO Cc1cc([C@@H](C)[NH3+])ccc1C(F)(F)F ZINC000238426268 345047143 /nfs/dbraw/zinc/04/71/43/345047143.db2.gz BGNPEXJWOTWNPT-SSDOTTSWSA-N 1 0 203.207 3.034 10 0 BGAERO Cc1cc(N)c(Nc2ccccc2)[nH+]c1C ZINC000238471281 361098131 /nfs/dbraw/zinc/09/81/31/361098131.db2.gz DZADRTAMYJXIOT-UHFFFAOYSA-N 1 0 213.284 3.024 10 0 BGAERO Cc1cc(O)cc(C)c1[C@@H]([NH3+])C(C)(C)C ZINC000238477559 642814064 /nfs/dbraw/zinc/81/40/64/642814064.db2.gz ZJSRJMHDOQBAJZ-GFCCVEGCSA-N 1 0 207.317 3.055 10 0 BGAERO Cc1cc(O)cc(C)c1[C@H]([NH3+])C(C)(C)C ZINC000238477949 642815285 /nfs/dbraw/zinc/81/52/85/642815285.db2.gz ZJSRJMHDOQBAJZ-LBPRGKRZSA-N 1 0 207.317 3.055 10 0 BGAERO Cc1cc2c(cc1Br)CCC[C@@H]2[NH3+] ZINC000238487748 178285131 /nfs/dbraw/zinc/28/51/31/178285131.db2.gz XIUZFEFTRXPSJN-NSHDSACASA-N 1 0 240.144 3.094 10 0 BGAERO Cc1cc2c(cc1Br)CCC[C@H]2[NH3+] ZINC000238489176 178284486 /nfs/dbraw/zinc/28/44/86/178284486.db2.gz XIUZFEFTRXPSJN-LLVKDONJSA-N 1 0 240.144 3.094 10 0 BGAERO Cc1ccc(Cl)c([C@@H]2CCC[C@H]2[NH3+])c1 ZINC000238496630 345063287 /nfs/dbraw/zinc/06/32/87/345063287.db2.gz JXFJIPJSIBNUCV-JOYOIKCWSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc(Cl)c([C@@H]2CC[C@H]([NH3+])C2)c1 ZINC000238496783 345063303 /nfs/dbraw/zinc/06/33/03/345063303.db2.gz ZABNSADESHMZLE-ZJUUUORDSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc(Cl)c([C@H]2CCC[C@H]2[NH3+])c1 ZINC000238497565 345063245 /nfs/dbraw/zinc/06/32/45/345063245.db2.gz JXFJIPJSIBNUCV-BXKDBHETSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc(Cl)c([C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000238497651 345063326 /nfs/dbraw/zinc/06/33/26/345063326.db2.gz ZABNSADESHMZLE-VHSXEESVSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc(Cl)c([C@H]2CC[C@H]([NH3+])C2)c1 ZINC000238497674 345063266 /nfs/dbraw/zinc/06/32/66/345063266.db2.gz ZABNSADESHMZLE-UWVGGRQHSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1cccc(Br)c1[C@@H]([NH3+])C1CC1 ZINC000238498793 345063974 /nfs/dbraw/zinc/06/39/74/345063974.db2.gz CUXUOLCCNHTXCF-NSHDSACASA-N 1 0 240.144 3.167 10 0 BGAERO Cc1cccc(Br)c1[C@H]([NH3+])C1CC1 ZINC000238499063 345063731 /nfs/dbraw/zinc/06/37/31/345063731.db2.gz CUXUOLCCNHTXCF-LLVKDONJSA-N 1 0 240.144 3.167 10 0 BGAERO Clc1ccccc1[C@@H]1CCCC[NH2+]C1 ZINC000238503063 345065350 /nfs/dbraw/zinc/06/53/50/345065350.db2.gz BLGLHRJSDIIIJJ-SNVBAGLBSA-N 1 0 209.720 3.197 10 0 BGAERO Clc1ccccc1[C@H]1CCCC[NH2+]C1 ZINC000238503734 345065182 /nfs/dbraw/zinc/06/51/82/345065182.db2.gz BLGLHRJSDIIIJJ-JTQLQIEISA-N 1 0 209.720 3.197 10 0 BGAERO Cc1ccc2c(c1Br)CCC[C@@H]2[NH3+] ZINC000238503932 386491294 /nfs/dbraw/zinc/49/12/94/386491294.db2.gz YSCDXGLYCTXWSP-JTQLQIEISA-N 1 0 240.144 3.094 10 0 BGAERO Cc1ccc2c(c1Br)CCC[C@H]2[NH3+] ZINC000238506142 386491825 /nfs/dbraw/zinc/49/18/25/386491825.db2.gz YSCDXGLYCTXWSP-SNVBAGLBSA-N 1 0 240.144 3.094 10 0 BGAERO Cc1cc([C@@H]([NH3+])C(C)(C)C)cc(C)c1O ZINC000238506699 642816906 /nfs/dbraw/zinc/81/69/06/642816906.db2.gz MVXABAXTERBZQO-GFCCVEGCSA-N 1 0 207.317 3.055 10 0 BGAERO Cc1ccc([C@@H]2CCC[C@@H]2[NH3+])c(Cl)c1 ZINC000238514788 345067660 /nfs/dbraw/zinc/06/76/60/345067660.db2.gz HTMFMEJLCLTRSN-JQWIXIFHSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@@H]2CCC[C@H]2[NH3+])c(Cl)c1 ZINC000238515439 361133983 /nfs/dbraw/zinc/13/39/83/361133983.db2.gz HTMFMEJLCLTRSN-CMPLNLGQSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@@H]2CC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000238518066 345065953 /nfs/dbraw/zinc/06/59/53/345065953.db2.gz RNPQNCLRUHFIPD-NXEZZACHSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1cc([C@H]([NH3+])C(C)(C)C)cc(C)c1O ZINC000238518369 711890017 /nfs/dbraw/zinc/89/00/17/711890017.db2.gz MVXABAXTERBZQO-LBPRGKRZSA-N 1 0 207.317 3.055 10 0 BGAERO Cc1ccc([C@@H]2CC[C@H]([NH3+])C2)c(Cl)c1 ZINC000238518703 345065995 /nfs/dbraw/zinc/06/59/95/345065995.db2.gz RNPQNCLRUHFIPD-ZJUUUORDSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1cccc(Cl)c1[C@@H]1CCCC[NH2+]1 ZINC000238525134 345069694 /nfs/dbraw/zinc/06/96/94/345069694.db2.gz FTMHAHRMESLIJT-NSHDSACASA-N 1 0 209.720 3.463 10 0 BGAERO Cc1cccc(Cl)c1[C@H]1CCCC[NH2+]1 ZINC000238525911 345069578 /nfs/dbraw/zinc/06/95/78/345069578.db2.gz FTMHAHRMESLIJT-LLVKDONJSA-N 1 0 209.720 3.463 10 0 BGAERO Cc1ccc([C@H]2CCC[C@@H]2[NH3+])c(Cl)c1 ZINC000238539086 361143432 /nfs/dbraw/zinc/14/34/32/361143432.db2.gz HTMFMEJLCLTRSN-PWSUYJOCSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@H]2CCC[C@H]2[NH3+])c(Cl)c1 ZINC000238539629 361143259 /nfs/dbraw/zinc/14/32/59/361143259.db2.gz HTMFMEJLCLTRSN-ZYHUDNBSSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@H]2CC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000238541693 345073690 /nfs/dbraw/zinc/07/36/90/345073690.db2.gz RNPQNCLRUHFIPD-VHSXEESVSA-N 1 0 209.720 3.243 10 0 BGAERO Cc1ccc([C@H]2CC[C@H]([NH3+])C2)c(Cl)c1 ZINC000238542093 345073507 /nfs/dbraw/zinc/07/35/07/345073507.db2.gz RNPQNCLRUHFIPD-UWVGGRQHSA-N 1 0 209.720 3.243 10 0 BGAERO Clc1cnc(C[NH2+]C2CCCC2)c(Cl)c1 ZINC000238555530 385257609 /nfs/dbraw/zinc/25/76/09/385257609.db2.gz LVDKBNMVIVJEPY-UHFFFAOYSA-N 1 0 245.153 3.421 10 0 BGAERO Fc1c(Cl)cc(Cl)cc1[C@@H]1CC[NH2+]1 ZINC000238558143 345077853 /nfs/dbraw/zinc/07/78/53/345077853.db2.gz UTIYPTBVJWHSFH-QMMMGPOBSA-N 1 0 220.074 3.167 10 0 BGAERO Fc1c(Cl)cc(Cl)cc1[C@H]1CC[NH2+]1 ZINC000238558246 361150432 /nfs/dbraw/zinc/15/04/32/361150432.db2.gz UTIYPTBVJWHSFH-MRVPVSSYSA-N 1 0 220.074 3.167 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1c1ccsc1Cl ZINC000238560673 345077089 /nfs/dbraw/zinc/07/70/89/345077089.db2.gz KWCVWAPQNRVCLI-CBAPKCEASA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1c1c(F)cccc1Cl ZINC000238563717 345077183 /nfs/dbraw/zinc/07/71/83/345077183.db2.gz PQCDWIOMDLXGOJ-XVKPBYJWSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](c2ccsc2Cl)C1 ZINC000238566484 361153078 /nfs/dbraw/zinc/15/30/78/361153078.db2.gz DHDLBFVSWDTIFV-HTQZYQBOSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1c1ccc(F)c(Cl)c1 ZINC000238566900 345079840 /nfs/dbraw/zinc/07/98/40/345079840.db2.gz TVRFXAXDGYHFQF-KCJUWKMLSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+]C1(c2ccc(SC(F)(F)F)cc2)CC1 ZINC000238567020 385256890 /nfs/dbraw/zinc/25/68/90/385256890.db2.gz QSUUPXJYHIQNBW-UHFFFAOYSA-N 1 0 233.258 3.246 10 0 BGAERO [NH3+]C1(c2cccc(Cl)c2Cl)CCC1 ZINC000238567934 361152463 /nfs/dbraw/zinc/15/24/63/361152463.db2.gz FRVMUVRTIBOQEZ-UHFFFAOYSA-N 1 0 216.111 3.331 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](c2ccsc2Cl)C1 ZINC000238570055 345079917 /nfs/dbraw/zinc/07/99/17/345079917.db2.gz DHDLBFVSWDTIFV-JGVFFNPUSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@@H](CF)c1c(Cl)ccc(Cl)c1F ZINC000238571674 345080558 /nfs/dbraw/zinc/08/05/58/345080558.db2.gz OZYJKQRDXILHEW-LURJTMIESA-N 1 0 226.053 3.102 10 0 BGAERO [NH3+][C@@H](CF)c1c(F)ccc(Cl)c1Cl ZINC000238571838 361157748 /nfs/dbraw/zinc/15/77/48/361157748.db2.gz DZGQDRIEZVWJEV-LURJTMIESA-N 1 0 226.053 3.102 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1c1c(F)cccc1Cl ZINC000238573373 361157765 /nfs/dbraw/zinc/15/77/65/361157765.db2.gz PQCDWIOMDLXGOJ-XCBNKYQSSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H](CF)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000238573724 642821611 /nfs/dbraw/zinc/82/16/11/642821611.db2.gz NSFSQAYIVBVFBP-QMMMGPOBSA-N 1 0 241.615 3.328 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1c1ccsc1Cl ZINC000238574480 361157725 /nfs/dbraw/zinc/15/77/25/361157725.db2.gz KWCVWAPQNRVCLI-VXNVDRBHSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1c1ccc(F)c(Cl)c1 ZINC000238575680 361157133 /nfs/dbraw/zinc/15/71/33/361157133.db2.gz TVRFXAXDGYHFQF-KWQFWETISA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1c1ccsc1Cl ZINC000238580391 345081935 /nfs/dbraw/zinc/08/19/35/345081935.db2.gz KWCVWAPQNRVCLI-IONNQARKSA-N 1 0 215.749 3.386 10 0 BGAERO Clc1cc2cccc3c2c(c1)C[NH2+]C3 ZINC000238581395 386506790 /nfs/dbraw/zinc/50/67/90/386506790.db2.gz BSDOTTZQGYQPBB-UHFFFAOYSA-N 1 0 203.672 3.096 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1c1c(F)cccc1Cl ZINC000238583729 345085336 /nfs/dbraw/zinc/08/53/36/345085336.db2.gz PQCDWIOMDLXGOJ-OIBJUYFYSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1c1ccc(F)c(Cl)c1 ZINC000238586073 345083230 /nfs/dbraw/zinc/08/32/30/345083230.db2.gz TVRFXAXDGYHFQF-LDYMZIIASA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1c1c(F)cccc1Cl ZINC000238590905 345088755 /nfs/dbraw/zinc/08/87/55/345088755.db2.gz PQCDWIOMDLXGOJ-GMSGAONNSA-N 1 0 213.683 3.074 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1c1ccc(F)c(Cl)c1 ZINC000238594305 345085956 /nfs/dbraw/zinc/08/59/56/345085956.db2.gz TVRFXAXDGYHFQF-GZMMTYOYSA-N 1 0 213.683 3.074 10 0 BGAERO Clc1cccc(Cl)c1C[C@@H]1[NH2+]C[C@@H]2C[C@@H]21 ZINC000238605298 361164515 /nfs/dbraw/zinc/16/45/15/361164515.db2.gz VJDKBDOYWMKBBS-UBJUHAIHSA-N 1 0 242.149 3.144 10 0 BGAERO [NH3+][C@H]1CCSc2c(Cl)cc(Cl)cc21 ZINC000238609443 345091804 /nfs/dbraw/zinc/09/18/04/345091804.db2.gz HMOSEEPJYIXQSD-QMMMGPOBSA-N 1 0 234.151 3.489 10 0 BGAERO [NH3+][C@H]1CCSc2cc(Cl)cc(Cl)c21 ZINC000238609886 361163496 /nfs/dbraw/zinc/16/34/96/361163496.db2.gz RSAALZSWLIGQEC-ZETCQYMHSA-N 1 0 234.151 3.489 10 0 BGAERO [NH3+][C@H]1CCc2c1ccc(Cl)c2Br ZINC000238613643 181655669 /nfs/dbraw/zinc/65/56/69/181655669.db2.gz JLRTYJSCAWHGBW-QMMMGPOBSA-N 1 0 246.535 3.049 10 0 BGAERO [NH3+]Cc1cc2ccccc2cc1Br ZINC000238619667 345092989 /nfs/dbraw/zinc/09/29/89/345092989.db2.gz WHGMYTJFDLOCEE-UHFFFAOYSA-N 1 0 236.112 3.061 10 0 BGAERO [NH3+][C@@H]1CCSc2c(Cl)cc(Cl)cc21 ZINC000238624626 345096870 /nfs/dbraw/zinc/09/68/70/345096870.db2.gz HMOSEEPJYIXQSD-MRVPVSSYSA-N 1 0 234.151 3.489 10 0 BGAERO [NH3+][C@@H]1CCSc2cc(Cl)cc(Cl)c21 ZINC000238624931 345096575 /nfs/dbraw/zinc/09/65/75/345096575.db2.gz RSAALZSWLIGQEC-SSDOTTSWSA-N 1 0 234.151 3.489 10 0 BGAERO [NH3+][C@@H]1CCc2c1ccc(Cl)c2Br ZINC000238627979 386513211 /nfs/dbraw/zinc/51/32/11/386513211.db2.gz JLRTYJSCAWHGBW-MRVPVSSYSA-N 1 0 246.535 3.049 10 0 BGAERO [NH3+]Cc1cc(Br)cc2ccccc21 ZINC000238630036 345096143 /nfs/dbraw/zinc/09/61/43/345096143.db2.gz FDOLPZCKEIRNEG-UHFFFAOYSA-N 1 0 236.112 3.061 10 0 BGAERO [NH3+]Cc1cc(Cl)c(Cl)c(Cl)c1 ZINC000238655429 345102704 /nfs/dbraw/zinc/10/27/04/345102704.db2.gz XJMFCNPCCNJWQG-UHFFFAOYSA-N 1 0 210.491 3.106 10 0 BGAERO [NH3+][C@@H](c1ccc(C(F)F)c(F)c1)C1CC1 ZINC000238662360 344827314 /nfs/dbraw/zinc/82/73/14/344827314.db2.gz HQNRIMOBIGBMID-SNVBAGLBSA-N 1 0 215.218 3.173 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](c2ccsc2Cl)C1 ZINC000238681779 345108147 /nfs/dbraw/zinc/10/81/47/345108147.db2.gz DHDLBFVSWDTIFV-SFYZADRCSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@H](CF)c1c(Cl)ccc(Cl)c1F ZINC000238683274 345109078 /nfs/dbraw/zinc/10/90/78/345109078.db2.gz OZYJKQRDXILHEW-ZCFIWIBFSA-N 1 0 226.053 3.102 10 0 BGAERO [NH3+][C@H](CF)c1c(F)ccc(Cl)c1Cl ZINC000238683374 345109032 /nfs/dbraw/zinc/10/90/32/345109032.db2.gz DZGQDRIEZVWJEV-ZCFIWIBFSA-N 1 0 226.053 3.102 10 0 BGAERO [NH3+][C@H](CF)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000238684687 642830401 /nfs/dbraw/zinc/83/04/01/642830401.db2.gz NSFSQAYIVBVFBP-MRVPVSSYSA-N 1 0 241.615 3.328 10 0 BGAERO [NH3+][C@H]1CCC[C@H](c2ccsc2Cl)C1 ZINC000238685252 345109420 /nfs/dbraw/zinc/10/94/20/345109420.db2.gz DHDLBFVSWDTIFV-YUMQZZPRSA-N 1 0 215.749 3.386 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc(C(F)F)c(F)c1 ZINC000238791650 343258671 /nfs/dbraw/zinc/25/86/71/343258671.db2.gz BZXDVHYYCUHDHW-SNVBAGLBSA-N 1 0 217.234 3.419 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccsc1Br ZINC000238791851 345126649 /nfs/dbraw/zinc/12/66/49/345126649.db2.gz HDQXRUWIDFLBRW-SSDOTTSWSA-N 1 0 234.162 3.166 10 0 BGAERO [NH3+][C@H]1C[C@H](c2ccc(Cl)c(Cl)c2)C1 ZINC000238852623 386534754 /nfs/dbraw/zinc/53/47/54/386534754.db2.gz GPGVWJNJGQOPEM-ZKCHVHJHSA-N 1 0 216.111 3.198 10 0 BGAERO [NH3+][C@H]1C[C@H](c2cc(Cl)ccc2Cl)C1 ZINC000238855285 386536580 /nfs/dbraw/zinc/53/65/80/386536580.db2.gz RGHFRCABYHBHBI-FKQCQYRASA-N 1 0 216.111 3.198 10 0 BGAERO CC(C)C[N@@H+]1CC[C@@H](Nc2ccccc2)[C@H](C)C1 ZINC000242498449 519731218 /nfs/dbraw/zinc/73/12/18/519731218.db2.gz HFSCZSXDEVDNRM-GDBMZVCRSA-N 1 0 246.398 3.465 10 0 BGAERO CCC[N@@H+]1CC[C@H](Nc2ccccc2)C[C@H]1C ZINC000242548494 519863914 /nfs/dbraw/zinc/86/39/14/519863914.db2.gz LOGINMAWTOPMFF-HIFRSBDPSA-N 1 0 232.371 3.361 10 0 BGAERO CCC[N@@H+]1CC[C@@H](Nc2ccccc2)C[C@H]1C ZINC000242548495 519862066 /nfs/dbraw/zinc/86/20/66/519862066.db2.gz LOGINMAWTOPMFF-UKRRQHHQSA-N 1 0 232.371 3.361 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1 ZINC000245224629 322869926 /nfs/dbraw/zinc/86/99/26/322869926.db2.gz AAJGLDPZWTUMGS-VBNZEHGJSA-N 1 0 247.382 3.203 10 0 BGAERO CC[N@@H+]1CCC[C@@H]1CN(C)[C@H](C)c1ccccc1 ZINC000245454855 387944722 /nfs/dbraw/zinc/94/47/22/387944722.db2.gz AFPLTBOSGMSJPK-GDBMZVCRSA-N 1 0 246.398 3.164 10 0 BGAERO CC[N@@H+]1CCC[C@H]1CN(C)[C@H](C)c1ccccc1 ZINC000245454857 387946188 /nfs/dbraw/zinc/94/61/88/387946188.db2.gz AFPLTBOSGMSJPK-ZBFHGGJFSA-N 1 0 246.398 3.164 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245644026 388595312 /nfs/dbraw/zinc/59/53/12/388595312.db2.gz FEHMCPHOUBCYPD-JSGCOSHPSA-N 1 0 235.375 3.373 10 0 BGAERO CCC[C@@H](C)C[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000245644031 388595768 /nfs/dbraw/zinc/59/57/68/388595768.db2.gz FEHMCPHOUBCYPD-OCCSQVGLSA-N 1 0 235.375 3.373 10 0 BGAERO c1n[nH]cc1[C@@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000245719406 192143651 /nfs/dbraw/zinc/14/36/51/192143651.db2.gz HQRCRZYUYWUXJF-HIFRSBDPSA-N 1 0 245.370 3.293 10 0 BGAERO c1n[nH]cc1[C@H]1CCCC[N@H+]1C[C@@H]1CC=CCC1 ZINC000245719410 192143502 /nfs/dbraw/zinc/14/35/02/192143502.db2.gz HQRCRZYUYWUXJF-UKRRQHHQSA-N 1 0 245.370 3.293 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1cocn1 ZINC000245727489 349085452 /nfs/dbraw/zinc/08/54/52/349085452.db2.gz HCOSZQNYNXEAMS-XBFCOCLRSA-N 1 0 236.359 3.225 10 0 BGAERO CC[C@@H](C)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000245854938 323124189 /nfs/dbraw/zinc/12/41/89/323124189.db2.gz FLCBDOBJBAYXIM-NXEZZACHSA-N 1 0 223.282 3.307 10 0 BGAERO CC[C@H](C)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000245854945 388607409 /nfs/dbraw/zinc/60/74/09/388607409.db2.gz FLCBDOBJBAYXIM-VHSXEESVSA-N 1 0 223.282 3.307 10 0 BGAERO CCC[C@@H](C)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000245865114 387987689 /nfs/dbraw/zinc/98/76/89/387987689.db2.gz PVVIEVXJPPVIIV-HIFRSBDPSA-N 1 0 249.402 3.092 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CCC[C@H]1Cn1ccnc1C ZINC000245865116 387988062 /nfs/dbraw/zinc/98/80/62/387988062.db2.gz PVVIEVXJPPVIIV-ZFWWWQNUSA-N 1 0 249.402 3.092 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000245865145 388607854 /nfs/dbraw/zinc/60/78/54/388607854.db2.gz PWVOUZUUUUVRFT-DZGCQCFKSA-N 1 0 249.402 3.265 10 0 BGAERO CCC[C@@H](C)C[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000245865146 388607301 /nfs/dbraw/zinc/60/73/01/388607301.db2.gz PWVOUZUUUUVRFT-UKRRQHHQSA-N 1 0 249.402 3.265 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000245953418 386613844 /nfs/dbraw/zinc/61/38/44/386613844.db2.gz PYMWKIIMRSZBJY-HUBLWGQQSA-N 1 0 233.355 3.077 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000245953423 187841925 /nfs/dbraw/zinc/84/19/25/187841925.db2.gz PYMWKIIMRSZBJY-SLEUVZQESA-N 1 0 233.355 3.077 10 0 BGAERO CCC(CC)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000245970920 388612382 /nfs/dbraw/zinc/61/23/82/388612382.db2.gz WKDLHATWQBZTDR-GJZGRUSLSA-N 1 0 239.403 3.050 10 0 BGAERO CCC(CC)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000245970925 388612564 /nfs/dbraw/zinc/61/25/64/388612564.db2.gz WKDLHATWQBZTDR-LSDHHAIUSA-N 1 0 239.403 3.050 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1F ZINC000245997885 325537892 /nfs/dbraw/zinc/53/78/92/325537892.db2.gz RMTUHBWHGWHXDC-ICCXJUOJSA-N 1 0 207.292 3.275 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1F ZINC000245997891 388612301 /nfs/dbraw/zinc/61/23/01/388612301.db2.gz RMTUHBWHGWHXDC-JIMOISOXSA-N 1 0 207.292 3.275 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000246040001 325539309 /nfs/dbraw/zinc/53/93/09/325539309.db2.gz NQZBVJDCQCDBMG-BIGNPOOSSA-N 1 0 219.303 3.201 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2cc(F)ccc21 ZINC000246040004 388614480 /nfs/dbraw/zinc/61/44/80/388614480.db2.gz NQZBVJDCQCDBMG-IIMNLJJBSA-N 1 0 219.303 3.201 10 0 BGAERO C[C@H](c1ccccc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246068951 388005537 /nfs/dbraw/zinc/00/55/37/388005537.db2.gz BMHJXLDHZTZAPY-NWDGAFQWSA-N 1 0 221.369 3.185 10 0 BGAERO C[C@H](c1cccc(F)c1)[N@@H+]1CCS[C@H](C)C1 ZINC000246120366 388012557 /nfs/dbraw/zinc/01/25/57/388012557.db2.gz KWACZZJRPYICEB-GHMZBOCLSA-N 1 0 239.359 3.324 10 0 BGAERO C[C@H](c1cccc(F)c1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246120369 388012417 /nfs/dbraw/zinc/01/24/17/388012417.db2.gz KWACZZJRPYICEB-WDEREUQCSA-N 1 0 239.359 3.324 10 0 BGAERO C[C@H](c1ccccc1F)[N@@H+]1CCS[C@H](C)C1 ZINC000246186919 388018054 /nfs/dbraw/zinc/01/80/54/388018054.db2.gz VUIJXKSZNSASKF-GHMZBOCLSA-N 1 0 239.359 3.324 10 0 BGAERO C[C@H](c1ccccc1F)[N@@H+]1CCS[C@@H](C)C1 ZINC000246186927 388018909 /nfs/dbraw/zinc/01/89/09/388018909.db2.gz VUIJXKSZNSASKF-WDEREUQCSA-N 1 0 239.359 3.324 10 0 BGAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CCS[C@H](C)C1 ZINC000246191436 388018146 /nfs/dbraw/zinc/01/81/46/388018146.db2.gz WHSGBQCIRMRPCP-GHMZBOCLSA-N 1 0 239.359 3.324 10 0 BGAERO C[C@H](c1ccc(F)cc1)[N@@H+]1CCS[C@@H](C)C1 ZINC000246191442 388018368 /nfs/dbraw/zinc/01/83/68/388018368.db2.gz WHSGBQCIRMRPCP-WDEREUQCSA-N 1 0 239.359 3.324 10 0 BGAERO CCc1nccn1[C@H]1CCC[N@@H+](C[C@H](C)CC)C1 ZINC000246206206 388021161 /nfs/dbraw/zinc/02/11/61/388021161.db2.gz JUDDSRGPKIKPLR-KGLIPLIRSA-N 1 0 249.402 3.129 10 0 BGAERO CCc1nccn1[C@@H]1CCC[N@@H+](C[C@H](C)CC)C1 ZINC000246206217 388020438 /nfs/dbraw/zinc/02/04/38/388020438.db2.gz JUDDSRGPKIKPLR-ZIAGYGMSSA-N 1 0 249.402 3.129 10 0 BGAERO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246220449 411203465 /nfs/dbraw/zinc/20/34/65/411203465.db2.gz LIGFCMVUXRDRPP-NEPJUHHUSA-N 1 0 207.317 3.463 10 0 BGAERO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000246220456 411203365 /nfs/dbraw/zinc/20/33/65/411203365.db2.gz LIGFCMVUXRDRPP-RYUDHWBXSA-N 1 0 207.317 3.463 10 0 BGAERO CC[C@H](C)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000246260161 388024474 /nfs/dbraw/zinc/02/44/74/388024474.db2.gz QPWLGIYTCRZGQL-FZMZJTMJSA-N 1 0 249.402 3.220 10 0 BGAERO CC[C@@H](C)C[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000246260178 388025601 /nfs/dbraw/zinc/02/56/01/388025601.db2.gz QPWLGIYTCRZGQL-RISCZKNCSA-N 1 0 249.402 3.220 10 0 BGAERO CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000246276720 388026848 /nfs/dbraw/zinc/02/68/48/388026848.db2.gz SLVAYZLSBXLJLR-IJEWVQPXSA-N 1 0 246.398 3.066 10 0 BGAERO CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC000246276731 388026904 /nfs/dbraw/zinc/02/69/04/388026904.db2.gz SLVAYZLSBXLJLR-OFQRWUPVSA-N 1 0 246.398 3.066 10 0 BGAERO c1n[nH]cc1[C@@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000246300789 388029182 /nfs/dbraw/zinc/02/91/82/388029182.db2.gz CDRICVMORUPNDE-KGLIPLIRSA-N 1 0 231.343 3.045 10 0 BGAERO c1n[nH]cc1[C@H]1CCCC[N@@H+]1[C@@H]1C=CCCC1 ZINC000246300801 388029070 /nfs/dbraw/zinc/02/90/70/388029070.db2.gz CDRICVMORUPNDE-ZIAGYGMSSA-N 1 0 231.343 3.045 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)C1CCCCC1 ZINC000246329144 325558401 /nfs/dbraw/zinc/55/84/01/325558401.db2.gz BEYYDZWHBYOXTN-AEGPPILISA-N 1 0 239.403 3.096 10 0 BGAERO C[C@H]([NH2+][C@H]1CCCC[C@H]1CO)C1CCCCC1 ZINC000246329155 325558196 /nfs/dbraw/zinc/55/81/96/325558196.db2.gz BEYYDZWHBYOXTN-QEJZJMRPSA-N 1 0 239.403 3.096 10 0 BGAERO Cc1ccc([C@@H]2CCCC[N@@H+]2C[C@H]2CCCO2)o1 ZINC000246773420 359162783 /nfs/dbraw/zinc/16/27/83/359162783.db2.gz OHGACOFXTFAQFM-KGLIPLIRSA-N 1 0 249.354 3.294 10 0 BGAERO Cc1ccc([C@H]2CCCC[N@@H+]2C[C@H]2CCCO2)o1 ZINC000246773433 359163118 /nfs/dbraw/zinc/16/31/18/359163118.db2.gz OHGACOFXTFAQFM-ZIAGYGMSSA-N 1 0 249.354 3.294 10 0 BGAERO c1csc(C[N@@H+]2CCC[C@@H]3CCCC[C@H]32)n1 ZINC000246801094 374308780 /nfs/dbraw/zinc/30/87/80/374308780.db2.gz MVXVCZHNNBMSAW-NWDGAFQWSA-N 1 0 236.384 3.298 10 0 BGAERO c1csc(C[N@@H+]2CCC[C@H]3CCCC[C@H]32)n1 ZINC000246801102 374308292 /nfs/dbraw/zinc/30/82/92/374308292.db2.gz MVXVCZHNNBMSAW-VXGBXAGGSA-N 1 0 236.384 3.298 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2O)c1 ZINC000246852724 323010999 /nfs/dbraw/zinc/01/09/99/323010999.db2.gz IIKZRSRPAOYSPD-NUEKZKHPSA-N 1 0 247.382 3.197 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000246864434 388653692 /nfs/dbraw/zinc/65/36/92/388653692.db2.gz CEAMYTXSOOVUQD-BZPMIXESSA-N 1 0 217.356 3.351 10 0 BGAERO C[C@@H]([NH2+][C@@H]1C[C@H]1C)C(C)(C)c1ccccc1 ZINC000246864460 388653588 /nfs/dbraw/zinc/65/35/88/388653588.db2.gz CEAMYTXSOOVUQD-YRGRVCCFSA-N 1 0 217.356 3.351 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)cc1F ZINC000246872714 359171370 /nfs/dbraw/zinc/17/13/70/359171370.db2.gz CPYSCVYENXWXDK-JCOFBHIZSA-N 1 0 225.282 3.414 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CSCCc2ccccc21 ZINC000246876464 386682047 /nfs/dbraw/zinc/68/20/47/386682047.db2.gz CUUAQZNGXHJLDL-HONMWMINSA-N 1 0 233.380 3.015 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CSCCc2ccccc21 ZINC000246876487 386682609 /nfs/dbraw/zinc/68/26/09/386682609.db2.gz CUUAQZNGXHJLDL-SWHYSGLUSA-N 1 0 233.380 3.015 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000246897763 388654521 /nfs/dbraw/zinc/65/45/21/388654521.db2.gz FFEJYMSETNSZHW-DYEKYZERSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000246897780 325581259 /nfs/dbraw/zinc/58/12/59/325581259.db2.gz FFEJYMSETNSZHW-MBNYWOFBSA-N 1 0 203.329 3.362 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000246913298 387131132 /nfs/dbraw/zinc/13/11/32/387131132.db2.gz FYFOPYBNCGOFSB-JCOFBHIZSA-N 1 0 221.731 3.325 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000246913305 325581821 /nfs/dbraw/zinc/58/18/21/325581821.db2.gz FYFOPYBNCGOFSB-OXHMUOHRSA-N 1 0 221.731 3.325 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246924827 386684815 /nfs/dbraw/zinc/68/48/15/386684815.db2.gz GQERKWAGNFWGND-JFUSQASVSA-N 1 0 237.343 3.361 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000246924844 176404768 /nfs/dbraw/zinc/40/47/68/176404768.db2.gz GQERKWAGNFWGND-ZHAHWJHGSA-N 1 0 237.343 3.361 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCCF ZINC000246979610 323011601 /nfs/dbraw/zinc/01/16/01/323011601.db2.gz OVUASJVNYKVBTC-AGIUHOORSA-N 1 0 215.356 3.396 10 0 BGAERO CCc1nc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)s1 ZINC000246979835 345280735 /nfs/dbraw/zinc/28/07/35/345280735.db2.gz KAKYHIRZDLWEFY-KHQFGBGNSA-N 1 0 224.373 3.073 10 0 BGAERO CCc1nc(C)c([C@H](C)[NH2+][C@H]2C[C@H]2C)s1 ZINC000246979852 364615300 /nfs/dbraw/zinc/61/53/00/364615300.db2.gz KAKYHIRZDLWEFY-WEDXCCLWSA-N 1 0 224.373 3.073 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000246985706 388656859 /nfs/dbraw/zinc/65/68/59/388656859.db2.gz RKKUMNIBNFYGNT-IMSYWVGJSA-N 1 0 221.266 3.106 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000246985724 325583399 /nfs/dbraw/zinc/58/33/99/325583399.db2.gz RKKUMNIBNFYGNT-KATARQTJSA-N 1 0 221.266 3.106 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)o1 ZINC000246995560 359181362 /nfs/dbraw/zinc/18/13/62/359181362.db2.gz KJGDQTGJJDDOQO-GMXVVIOVSA-N 1 0 237.343 3.060 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)o1 ZINC000246995576 359181574 /nfs/dbraw/zinc/18/15/74/359181574.db2.gz KJGDQTGJJDDOQO-NTZNESFSSA-N 1 0 237.343 3.060 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000247007221 325583927 /nfs/dbraw/zinc/58/39/27/325583927.db2.gz KZQQRICEMBYMOI-CRWXNKLISA-N 1 0 227.392 3.358 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000247007236 388657995 /nfs/dbraw/zinc/65/79/95/388657995.db2.gz KZQQRICEMBYMOI-RFQIPJPRSA-N 1 0 227.392 3.358 10 0 BGAERO Cc1cccc(C[C@H]([NH2+][C@H]2C[C@H]2C)C2CC2)c1 ZINC000247007253 325584094 /nfs/dbraw/zinc/58/40/94/325584094.db2.gz LYOFZFCPOAIFJH-KCXAZCMYSA-N 1 0 229.367 3.314 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000247007259 325583699 /nfs/dbraw/zinc/58/36/99/325583699.db2.gz KZQQRICEMBYMOI-XDQVBPFNSA-N 1 0 227.392 3.358 10 0 BGAERO Cc1cccc(C[C@H]([NH2+][C@@H]2C[C@H]2C)C2CC2)c1 ZINC000247007272 388657494 /nfs/dbraw/zinc/65/74/94/388657494.db2.gz LYOFZFCPOAIFJH-WQVCFCJDSA-N 1 0 229.367 3.314 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]2C)c1C ZINC000247014564 323011673 /nfs/dbraw/zinc/01/16/73/323011673.db2.gz MLCWNWPTEHMYSL-OSMZGAPFSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1C ZINC000247014578 323011795 /nfs/dbraw/zinc/01/17/95/323011795.db2.gz MLCWNWPTEHMYSL-SCDSUCTJSA-N 1 0 203.329 3.362 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000247019465 359183758 /nfs/dbraw/zinc/18/37/58/359183758.db2.gz MTMPWWXLVCRCGH-JLLWLGSASA-N 1 0 219.328 3.291 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC(C)(C)Cc2occc21 ZINC000247019480 359184420 /nfs/dbraw/zinc/18/44/20/359184420.db2.gz MTMPWWXLVCRCGH-USWWRNFRSA-N 1 0 219.328 3.291 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000247030844 386696080 /nfs/dbraw/zinc/69/60/80/386696080.db2.gz NOZZIWQMNKWWFA-BYCMXARLSA-N 1 0 215.340 3.006 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000247030862 386695101 /nfs/dbraw/zinc/69/51/01/386695101.db2.gz NOZZIWQMNKWWFA-KCPJHIHWSA-N 1 0 215.340 3.006 10 0 BGAERO Cc1ccc(C[C@H]([NH2+][C@H]2C[C@H]2C)C2CC2)cc1 ZINC000247069045 388658478 /nfs/dbraw/zinc/65/84/78/388658478.db2.gz QAYCHTFBAOZSCY-KCXAZCMYSA-N 1 0 229.367 3.314 10 0 BGAERO Cc1ccc(C[C@H]([NH2+][C@@H]2C[C@H]2C)C2CC2)cc1 ZINC000247069064 325585477 /nfs/dbraw/zinc/58/54/77/325585477.db2.gz QAYCHTFBAOZSCY-WQVCFCJDSA-N 1 0 229.367 3.314 10 0 BGAERO CCc1nc2c(s1)[C@H]([NH2+][C@@H]1C[C@H]1C)CCC2 ZINC000247097782 359194364 /nfs/dbraw/zinc/19/43/64/359194364.db2.gz SBFJGJMXZHEOET-FXPVBKGRSA-N 1 0 236.384 3.081 10 0 BGAERO CCc1nc2c(s1)[C@H]([NH2+][C@H]1C[C@H]1C)CCC2 ZINC000247097804 359193899 /nfs/dbraw/zinc/19/38/99/359193899.db2.gz SBFJGJMXZHEOET-KKZNHRDASA-N 1 0 236.384 3.081 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC000247113111 388658983 /nfs/dbraw/zinc/65/89/83/388658983.db2.gz QQSNILWQXCVFPL-CABCVRRESA-N 1 0 238.419 3.195 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@H](C)CCC=C(C)C)C1 ZINC000247113124 388659036 /nfs/dbraw/zinc/65/90/36/388659036.db2.gz QQSNILWQXCVFPL-HUUCEWRRSA-N 1 0 238.419 3.195 10 0 BGAERO CC(C)(C)CC[N@@H+]1CCO[C@@H]2CCCC[C@H]21 ZINC000247124404 343084288 /nfs/dbraw/zinc/08/42/88/343084288.db2.gz WOQCFAYBCTWGFG-CHWSQXEVSA-N 1 0 225.376 3.066 10 0 BGAERO CC(C)(C)CC[N@@H+]1CCO[C@H]2CCCC[C@H]21 ZINC000247124417 343084043 /nfs/dbraw/zinc/08/40/43/343084043.db2.gz WOQCFAYBCTWGFG-OLZOCXBDSA-N 1 0 225.376 3.066 10 0 BGAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1C[C@H]1C ZINC000247132263 359195971 /nfs/dbraw/zinc/19/59/71/359195971.db2.gz VOSRNKHGAKSDHB-KWCYVHTRSA-N 1 0 231.339 3.207 10 0 BGAERO Cc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1C[C@H]1C ZINC000247132274 359196205 /nfs/dbraw/zinc/19/62/05/359196205.db2.gz VOSRNKHGAKSDHB-XBFCOCLRSA-N 1 0 231.339 3.207 10 0 BGAERO COc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1OC ZINC000247136277 386702638 /nfs/dbraw/zinc/70/26/38/386702638.db2.gz VXUJYOBIFXATGJ-MDZLAQPJSA-N 1 0 249.354 3.071 10 0 BGAERO COc1cc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1OC ZINC000247136291 174962393 /nfs/dbraw/zinc/96/23/93/174962393.db2.gz VXUJYOBIFXATGJ-NTZNESFSSA-N 1 0 249.354 3.071 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247152480 386701337 /nfs/dbraw/zinc/70/13/37/386701337.db2.gz XEBQIFYLDATXCP-BNOWGMLFSA-N 1 0 243.350 3.431 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000247152489 386702055 /nfs/dbraw/zinc/70/20/55/386702055.db2.gz XEBQIFYLDATXCP-XBFCOCLRSA-N 1 0 243.350 3.431 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]1C)CCCO2 ZINC000247155738 359198259 /nfs/dbraw/zinc/19/82/59/359198259.db2.gz XIYLMCBMSRSFDO-BNOWGMLFSA-N 1 0 231.339 3.207 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C)CCCO2 ZINC000247155749 359197616 /nfs/dbraw/zinc/19/76/16/359197616.db2.gz XIYLMCBMSRSFDO-MRVWCRGKSA-N 1 0 231.339 3.207 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000247177784 359199502 /nfs/dbraw/zinc/19/95/02/359199502.db2.gz YYZZVVLNOUGYNI-JCOFBHIZSA-N 1 0 225.282 3.414 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cc(F)ccc1F ZINC000247177799 359198951 /nfs/dbraw/zinc/19/89/51/359198951.db2.gz YYZZVVLNOUGYNI-OXHMUOHRSA-N 1 0 225.282 3.414 10 0 BGAERO C[C@@H](C[N@@H+]1CCS[C@H](C)C1)c1ccccc1 ZINC000247266465 388661960 /nfs/dbraw/zinc/66/19/60/388661960.db2.gz ZBUHJNYDRNRJBM-QWHCGFSZSA-N 1 0 235.396 3.227 10 0 BGAERO C[C@@H](C[N@@H+]1CCS[C@@H](C)C1)c1ccccc1 ZINC000247266479 388661810 /nfs/dbraw/zinc/66/18/10/388661810.db2.gz ZBUHJNYDRNRJBM-STQMWFEESA-N 1 0 235.396 3.227 10 0 BGAERO Cc1cccc([C@H](C)[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000247342985 388663217 /nfs/dbraw/zinc/66/32/17/388663217.db2.gz GDWLAPNFRCLFBA-IHRRRGAJSA-N 1 0 233.355 3.165 10 0 BGAERO CC(C)C[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247560705 644645181 /nfs/dbraw/zinc/64/51/81/644645181.db2.gz QSPXVEARTOOIIT-HZPDHXFCSA-N 1 0 247.382 3.231 10 0 BGAERO CC(C)C[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247560710 644644618 /nfs/dbraw/zinc/64/46/18/644644618.db2.gz QSPXVEARTOOIIT-JKSUJKDBSA-N 1 0 247.382 3.231 10 0 BGAERO Cc1cccc([C@@H](C)[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000247697828 388669242 /nfs/dbraw/zinc/66/92/42/388669242.db2.gz XAJBBCGBGUFYMH-QWHCGFSZSA-N 1 0 235.396 3.493 10 0 BGAERO Cc1cccc([C@H](C)[N@@H+]2CCS[C@@H](C)C2)c1 ZINC000247697830 388669170 /nfs/dbraw/zinc/66/91/70/388669170.db2.gz XAJBBCGBGUFYMH-STQMWFEESA-N 1 0 235.396 3.493 10 0 BGAERO CCCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1 ZINC000247702113 644647415 /nfs/dbraw/zinc/64/74/15/644647415.db2.gz YBTLPBPPRIRXMW-HZPDHXFCSA-N 1 0 247.382 3.375 10 0 BGAERO CCCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1 ZINC000247702114 644647631 /nfs/dbraw/zinc/64/76/31/644647631.db2.gz YBTLPBPPRIRXMW-JKSUJKDBSA-N 1 0 247.382 3.375 10 0 BGAERO Cc1cccc([C@H](C)c2cn(C)cn2)c1C ZINC000247893807 188259388 /nfs/dbraw/zinc/25/93/88/188259388.db2.gz WHRVPTNZNAEMTJ-LBPRGKRZSA-N 1 0 214.312 3.189 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCCC[C@H]1O ZINC000247932323 325597853 /nfs/dbraw/zinc/59/78/53/325597853.db2.gz CDVLMEBYJXZMHG-XDQVBPFNSA-N 1 0 227.392 3.094 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000247955753 583843968 /nfs/dbraw/zinc/84/39/68/583843968.db2.gz FNYUPTSNLBVCOC-KKUMJFAQSA-N 1 0 239.403 3.262 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000247955757 583843879 /nfs/dbraw/zinc/84/38/79/583843879.db2.gz FNYUPTSNLBVCOC-SOUVJXGZSA-N 1 0 239.403 3.262 10 0 BGAERO CCCCCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247970086 644659051 /nfs/dbraw/zinc/65/90/51/644659051.db2.gz JBMFEEODRUJIGR-GJZGRUSLSA-N 1 0 239.403 3.194 10 0 BGAERO CCCCCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247970088 644659029 /nfs/dbraw/zinc/65/90/29/644659029.db2.gz JBMFEEODRUJIGR-LSDHHAIUSA-N 1 0 239.403 3.194 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)cc1 ZINC000247982306 325598877 /nfs/dbraw/zinc/59/88/77/325598877.db2.gz IMXQCJOSMVRTPH-BPUTZDHNSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)cc1 ZINC000247982309 325598688 /nfs/dbraw/zinc/59/86/88/325598688.db2.gz IMXQCJOSMVRTPH-CWRNSKLLSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c1C ZINC000248001070 388671858 /nfs/dbraw/zinc/67/18/58/388671858.db2.gz KJRGWQSOXAMMFQ-CWRNSKLLSA-N 1 0 247.382 3.258 10 0 BGAERO CC(C)(C)CC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248022327 388672147 /nfs/dbraw/zinc/67/21/47/388672147.db2.gz NYSQICGEQIMCTD-DZGCQCFKSA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)(C)CC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248022328 388671741 /nfs/dbraw/zinc/67/17/41/388671741.db2.gz NYSQICGEQIMCTD-ZFWWWQNUSA-N 1 0 239.403 3.050 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000248066409 388672976 /nfs/dbraw/zinc/67/29/76/388672976.db2.gz ZOYSUFOGVCOQGE-KKUMJFAQSA-N 1 0 239.403 3.050 10 0 BGAERO CCC[C@H](C)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000248066412 388672996 /nfs/dbraw/zinc/67/29/96/388672996.db2.gz ZOYSUFOGVCOQGE-SOUVJXGZSA-N 1 0 239.403 3.050 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCCC[C@H]1CO)c1ccccc1 ZINC000248067254 325599924 /nfs/dbraw/zinc/59/99/24/325599924.db2.gz MGTUSYCNYLOZQF-HRCADAONSA-N 1 0 247.382 3.278 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1CO)c1ccccc1 ZINC000248067258 388673411 /nfs/dbraw/zinc/67/34/11/388673411.db2.gz MGTUSYCNYLOZQF-JYJNAYRXSA-N 1 0 247.382 3.278 10 0 BGAERO C[C@H]1CCCC[N@@H+]1CC[C@@H](O)c1cccs1 ZINC000248087941 177075146 /nfs/dbraw/zinc/07/51/46/177075146.db2.gz TWMQRXGXPXTJJB-NWDGAFQWSA-N 1 0 239.384 3.046 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1CC[C@@H](O)c1cccs1 ZINC000248087946 176071175 /nfs/dbraw/zinc/07/11/75/176071175.db2.gz TWMQRXGXPXTJJB-VXGBXAGGSA-N 1 0 239.384 3.046 10 0 BGAERO Cc1ccccc1[C@H](C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248138505 359256451 /nfs/dbraw/zinc/25/64/51/359256451.db2.gz PIOHPBVHTJAEAC-IHRRRGAJSA-N 1 0 233.355 3.165 10 0 BGAERO Cc1cc(C)cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000248164935 388673824 /nfs/dbraw/zinc/67/38/24/388673824.db2.gz SUPHSBQWQXBYQC-CWRNSKLLSA-N 1 0 247.382 3.258 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2CO)c1 ZINC000248166070 325601749 /nfs/dbraw/zinc/60/17/49/325601749.db2.gz SZYLEJQVSAYRLN-BPUTZDHNSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2CO)c1 ZINC000248166071 325601830 /nfs/dbraw/zinc/60/18/30/325601830.db2.gz SZYLEJQVSAYRLN-CWRNSKLLSA-N 1 0 247.382 3.197 10 0 BGAERO CCCCOc1ccccc1[C@@H]1C[C@H]1[C@H](C)[NH3+] ZINC000248176187 345070245 /nfs/dbraw/zinc/07/02/45/345070245.db2.gz VVWOPVXSKHOGOT-UBHSHLNASA-N 1 0 233.355 3.316 10 0 BGAERO CCCCOc1ccccc1[C@@H]1C[C@@H]1[C@H](C)[NH3+] ZINC000248176189 343529350 /nfs/dbraw/zinc/52/93/50/343529350.db2.gz VVWOPVXSKHOGOT-YUTCNCBUSA-N 1 0 233.355 3.316 10 0 BGAERO Cc1ccccc1[C@@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000248181435 359257596 /nfs/dbraw/zinc/25/75/96/359257596.db2.gz WMVYMNAPYNNSOF-QWHCGFSZSA-N 1 0 235.396 3.493 10 0 BGAERO Cc1ccccc1[C@H](C)[N@@H+]1CCS[C@@H](C)C1 ZINC000248181437 359257662 /nfs/dbraw/zinc/25/76/62/359257662.db2.gz WMVYMNAPYNNSOF-STQMWFEESA-N 1 0 235.396 3.493 10 0 BGAERO C[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)[C@H]1C ZINC000248347925 359268220 /nfs/dbraw/zinc/26/82/20/359268220.db2.gz NYYUWDOZPFUAOE-OLZOCXBDSA-N 1 0 240.350 3.465 10 0 BGAERO C[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)[C@H]1C ZINC000248347926 359268527 /nfs/dbraw/zinc/26/85/27/359268527.db2.gz NYYUWDOZPFUAOE-STQMWFEESA-N 1 0 240.350 3.465 10 0 BGAERO CC[C@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000248374130 388677291 /nfs/dbraw/zinc/67/72/91/388677291.db2.gz NYZZNQBJSUPLJS-NWDGAFQWSA-N 1 0 238.400 3.429 10 0 BGAERO CC[C@@H](C)[N@@H+]1CCC[C@@H](c2nc(C)cs2)C1 ZINC000248374131 388677883 /nfs/dbraw/zinc/67/78/83/388677883.db2.gz NYZZNQBJSUPLJS-VXGBXAGGSA-N 1 0 238.400 3.429 10 0 BGAERO CC[C@H](COC)[NH2+][C@H]1c2cc(C)ccc2C[C@H]1C ZINC000248417835 388678802 /nfs/dbraw/zinc/67/88/02/388678802.db2.gz RSGHIEDXXHLLIB-XNRPHZJLSA-N 1 0 247.382 3.243 10 0 BGAERO CC[C@H](COC)[NH2+][C@@H]1c2cc(C)ccc2C[C@H]1C ZINC000248417837 325606622 /nfs/dbraw/zinc/60/66/22/325606622.db2.gz RSGHIEDXXHLLIB-XPKDYRNWSA-N 1 0 247.382 3.243 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248429779 135009113 /nfs/dbraw/zinc/00/91/13/135009113.db2.gz BKBYITYXDBKNPE-ICCXJUOJSA-N 1 0 235.302 3.037 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000248429780 135009703 /nfs/dbraw/zinc/00/97/03/135009703.db2.gz BKBYITYXDBKNPE-JIMOISOXSA-N 1 0 235.302 3.037 10 0 BGAERO CO[C@@H](C)C[N@@H+]1CCCC[C@@H]1c1ccc(C)o1 ZINC000248433445 135009952 /nfs/dbraw/zinc/00/99/52/135009952.db2.gz QRQADSHJRDRWMA-QWHCGFSZSA-N 1 0 237.343 3.150 10 0 BGAERO CO[C@@H](C)C[N@@H+]1CCCC[C@H]1c1ccc(C)o1 ZINC000248433446 135009975 /nfs/dbraw/zinc/00/99/75/135009975.db2.gz QRQADSHJRDRWMA-STQMWFEESA-N 1 0 237.343 3.150 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1cccs1 ZINC000248512222 135002502 /nfs/dbraw/zinc/00/25/02/135002502.db2.gz AQBJGGYHJBFNPG-GRYCIOLGSA-N 1 0 239.384 3.356 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccs1 ZINC000248512223 135002415 /nfs/dbraw/zinc/00/24/15/135002415.db2.gz AQBJGGYHJBFNPG-SDDRHHMPSA-N 1 0 239.384 3.356 10 0 BGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1cccc(F)c1 ZINC000248512990 386772313 /nfs/dbraw/zinc/77/23/13/386772313.db2.gz CKINPWPTHFAWEW-COPLHBTASA-N 1 0 237.318 3.044 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(F)c1)[C@H]1CCCO1 ZINC000248512991 386771351 /nfs/dbraw/zinc/77/13/51/386771351.db2.gz CKINPWPTHFAWEW-MISXGVKJSA-N 1 0 237.318 3.044 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000248526479 179339783 /nfs/dbraw/zinc/33/97/83/179339783.db2.gz FUJCYWBRDZTXDF-GZBFAFLISA-N 1 0 233.355 3.213 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000248526481 179339105 /nfs/dbraw/zinc/33/91/05/179339105.db2.gz FUJCYWBRDZTXDF-KCQAQPDRSA-N 1 0 233.355 3.213 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000248527335 384905497 /nfs/dbraw/zinc/90/54/97/384905497.db2.gz HFSBYEGJHKIVPK-OFQRWUPVSA-N 1 0 248.414 3.314 10 0 BGAERO CC[C@H](C)[C@@H](C)[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000248527337 322870080 /nfs/dbraw/zinc/87/00/80/322870080.db2.gz HFSBYEGJHKIVPK-SQWLQELKSA-N 1 0 248.414 3.314 10 0 BGAERO C[C@@H]1CCCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000248543602 644687857 /nfs/dbraw/zinc/68/78/57/644687857.db2.gz DBXRQQYFRLWZHI-GDBMZVCRSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@H]1CCCC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000248543604 644689010 /nfs/dbraw/zinc/68/90/10/644689010.db2.gz DBXRQQYFRLWZHI-GOEBONIOSA-N 1 0 247.382 3.016 10 0 BGAERO C[C@H](C[NH2+][C@@H](C)[C@H]1CCCO1)Cc1ccccc1 ZINC000248550360 135003992 /nfs/dbraw/zinc/00/39/92/135003992.db2.gz GHAPFCMZPVOSRZ-OFQRWUPVSA-N 1 0 247.382 3.022 10 0 BGAERO C[C@@H]([NH2+]C[C@@H](C)Cc1ccccc1)[C@H]1CCCO1 ZINC000248550362 135003754 /nfs/dbraw/zinc/00/37/54/135003754.db2.gz GHAPFCMZPVOSRZ-SQWLQELKSA-N 1 0 247.382 3.022 10 0 BGAERO Cc1c([C@H](C)[NH2+][C@@H]2C[C@H]2C)cnn1C(C)(C)C ZINC000248737496 388691768 /nfs/dbraw/zinc/69/17/68/388691768.db2.gz XNJXJFQHAVCWTP-GBIKHYSHSA-N 1 0 235.375 3.006 10 0 BGAERO Cc1c([C@H](C)[NH2+][C@H]2C[C@H]2C)cnn1C(C)(C)C ZINC000248737499 388692288 /nfs/dbraw/zinc/69/22/88/388692288.db2.gz XNJXJFQHAVCWTP-NRUUGDAUSA-N 1 0 235.375 3.006 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]Cc1ncccn1 ZINC000248916382 535253115 /nfs/dbraw/zinc/25/31/15/535253115.db2.gz ZWXQLIYJXFNJNR-RDBSUJKOSA-N 1 0 247.386 3.027 10 0 BGAERO CCCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000248981538 325630849 /nfs/dbraw/zinc/63/08/49/325630849.db2.gz FRQJROHTCBXYSC-LXTVHRRPSA-N 1 0 239.403 3.238 10 0 BGAERO c1coc([C@H]2CCC[N@H+]2C[C@H]2CCC=CO2)c1 ZINC000249044392 135031372 /nfs/dbraw/zinc/03/13/72/135031372.db2.gz NJXHOTJOPHXMPX-CHWSQXEVSA-N 1 0 233.311 3.109 10 0 BGAERO c1coc([C@@H]2CCC[N@H+]2C[C@H]2CCC=CO2)c1 ZINC000249044396 135031059 /nfs/dbraw/zinc/03/10/59/135031059.db2.gz NJXHOTJOPHXMPX-OLZOCXBDSA-N 1 0 233.311 3.109 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(F)c1 ZINC000249082601 135032215 /nfs/dbraw/zinc/03/22/15/135032215.db2.gz DJDIQDJGRWAUOJ-ICCXJUOJSA-N 1 0 207.292 3.275 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(F)c1 ZINC000249082603 135032245 /nfs/dbraw/zinc/03/22/45/135032245.db2.gz DJDIQDJGRWAUOJ-JIMOISOXSA-N 1 0 207.292 3.275 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249101846 388709706 /nfs/dbraw/zinc/70/97/06/388709706.db2.gz JZLMHKZWYBWJHA-BVUBDWEXSA-N 1 0 229.367 3.396 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249101849 325637627 /nfs/dbraw/zinc/63/76/27/325637627.db2.gz JZLMHKZWYBWJHA-OEAJRASXSA-N 1 0 229.367 3.396 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000249101851 325637387 /nfs/dbraw/zinc/63/73/87/325637387.db2.gz JZLMHKZWYBWJHA-OJLVUWQFSA-N 1 0 229.367 3.396 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000249118716 535844863 /nfs/dbraw/zinc/84/48/63/535844863.db2.gz PDBMXBAHBWVJJZ-AAEUAGOBSA-N 1 0 239.384 3.046 10 0 BGAERO CC[C@@](C)(O)C[N@@H+]1CCC[C@H]1c1cccs1 ZINC000249118718 536004097 /nfs/dbraw/zinc/00/40/97/536004097.db2.gz PDBMXBAHBWVJJZ-WCQYABFASA-N 1 0 239.384 3.046 10 0 BGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000249123243 388709710 /nfs/dbraw/zinc/70/97/10/388709710.db2.gz UKUFRCMTZSDXGD-BYNSBNAKSA-N 1 0 237.387 3.136 10 0 BGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000249123248 325638257 /nfs/dbraw/zinc/63/82/57/325638257.db2.gz UKUFRCMTZSDXGD-GBJTYRQASA-N 1 0 237.387 3.136 10 0 BGAERO CC1=CCC[C@H](C)[C@@H]1C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000249123253 388709802 /nfs/dbraw/zinc/70/98/02/388709802.db2.gz UKUFRCMTZSDXGD-YJNKXOJESA-N 1 0 237.387 3.136 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249187324 325640305 /nfs/dbraw/zinc/64/03/05/325640305.db2.gz LMJHPZLBQFGCCQ-OEAJRASXSA-N 1 0 229.367 3.495 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@](C)(c2ccccc2)C1 ZINC000249187326 388711945 /nfs/dbraw/zinc/71/19/45/388711945.db2.gz LMJHPZLBQFGCCQ-OJLVUWQFSA-N 1 0 229.367 3.495 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@](C)(c2ccccc2)C1 ZINC000249187328 325639872 /nfs/dbraw/zinc/63/98/72/325639872.db2.gz LMJHPZLBQFGCCQ-SYAUCNOPSA-N 1 0 229.367 3.495 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000249267925 388714687 /nfs/dbraw/zinc/71/46/87/388714687.db2.gz JISCNPPANDNHIV-UONOGXRCSA-N 1 0 235.375 3.017 10 0 BGAERO CCC[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C)cn2)C1 ZINC000249267928 388714757 /nfs/dbraw/zinc/71/47/57/388714757.db2.gz JISCNPPANDNHIV-ZIAGYGMSSA-N 1 0 235.375 3.017 10 0 BGAERO CCC[C@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249285564 535635023 /nfs/dbraw/zinc/63/50/23/535635023.db2.gz OCXHAOFUDSKXDB-KBPBESRZSA-N 1 0 247.386 3.004 10 0 BGAERO CCC[C@@H](C)[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000249285567 135028408 /nfs/dbraw/zinc/02/84/08/135028408.db2.gz OCXHAOFUDSKXDB-KGLIPLIRSA-N 1 0 247.386 3.004 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)c1 ZINC000249292976 135041977 /nfs/dbraw/zinc/04/19/77/135041977.db2.gz BJBRUKRNSLNQIW-GZBFAFLISA-N 1 0 233.355 3.213 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)c1 ZINC000249292977 135042038 /nfs/dbraw/zinc/04/20/38/135042038.db2.gz BJBRUKRNSLNQIW-KCQAQPDRSA-N 1 0 233.355 3.213 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000249299122 388716395 /nfs/dbraw/zinc/71/63/95/388716395.db2.gz RSQBFOXSUPKLRP-FZMZJTMJSA-N 1 0 249.402 3.362 10 0 BGAERO CCC[C@@H](C)[N@@H+]1CCC[C@H]1c1c(C)nn(C)c1C ZINC000249299124 388716791 /nfs/dbraw/zinc/71/67/91/388716791.db2.gz RSQBFOXSUPKLRP-RISCZKNCSA-N 1 0 249.402 3.362 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H]1C ZINC000249326358 388716642 /nfs/dbraw/zinc/71/66/42/388716642.db2.gz GWMAGGIBMMUZFW-BMFZPTHFSA-N 1 0 247.382 3.025 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@@H]1C ZINC000249326361 388716485 /nfs/dbraw/zinc/71/64/85/388716485.db2.gz GWMAGGIBMMUZFW-IMJJTQAJSA-N 1 0 247.382 3.025 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H]1C ZINC000249326364 388716942 /nfs/dbraw/zinc/71/69/42/388716942.db2.gz GWMAGGIBMMUZFW-KBMXLJTQSA-N 1 0 247.382 3.025 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1C[C@H](c2ccccc2)C[C@H]1C ZINC000249387128 388719103 /nfs/dbraw/zinc/71/91/03/388719103.db2.gz QBDGIMZESUCLRH-BMFZPTHFSA-N 1 0 247.382 3.025 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@@H]1C ZINC000249387130 388719735 /nfs/dbraw/zinc/71/97/35/388719735.db2.gz QBDGIMZESUCLRH-BPUTZDHNSA-N 1 0 247.382 3.025 10 0 BGAERO CC[C@](C)(O)C[N@@H+]1C[C@@H](c2ccccc2)C[C@H]1C ZINC000249387133 388719447 /nfs/dbraw/zinc/71/94/47/388719447.db2.gz QBDGIMZESUCLRH-KBMXLJTQSA-N 1 0 247.382 3.025 10 0 BGAERO CCn1ccnc1C[N@H+](CC)[C@H]1CCCC[C@H]1C ZINC000249392292 388719295 /nfs/dbraw/zinc/71/92/95/388719295.db2.gz RAIBSZJIWLQKCL-KGLIPLIRSA-N 1 0 249.402 3.304 10 0 BGAERO CCn1ccnc1C[N@H+](CC)[C@@H]1CCCC[C@H]1C ZINC000249392294 388719054 /nfs/dbraw/zinc/71/90/54/388719054.db2.gz RAIBSZJIWLQKCL-ZIAGYGMSSA-N 1 0 249.402 3.304 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000249415472 388720640 /nfs/dbraw/zinc/72/06/40/388720640.db2.gz ZFDAABDEWPMECH-UONOGXRCSA-N 1 0 249.402 3.271 10 0 BGAERO CCC[C@@H](C)[N@@H+]1CCC[C@@H](n2ccnc2CC)C1 ZINC000249415474 388720139 /nfs/dbraw/zinc/72/01/39/388720139.db2.gz ZFDAABDEWPMECH-ZIAGYGMSSA-N 1 0 249.402 3.271 10 0 BGAERO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[C@@H]1C ZINC000249605464 487722014 /nfs/dbraw/zinc/72/20/14/487722014.db2.gz RDZJVQMAXCNINO-BPNCWPANSA-N 1 0 231.339 3.071 10 0 BGAERO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@H]1C ZINC000249605465 487722146 /nfs/dbraw/zinc/72/21/46/487722146.db2.gz RDZJVQMAXCNINO-DDTOSNHZSA-N 1 0 231.339 3.071 10 0 BGAERO COc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@@H]1C ZINC000249605466 487721923 /nfs/dbraw/zinc/72/19/23/487721923.db2.gz RDZJVQMAXCNINO-LEWSCRJBSA-N 1 0 231.339 3.071 10 0 BGAERO COc1cccc2c1CCC[C@@H]2[NH2+][C@H]1C[C@H]1C ZINC000249605467 487722057 /nfs/dbraw/zinc/72/20/57/487722057.db2.gz RDZJVQMAXCNINO-SWHYSGLUSA-N 1 0 231.339 3.071 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000249612437 535540313 /nfs/dbraw/zinc/54/03/13/535540313.db2.gz DLGKHQFRDMMGJZ-GDBMZVCRSA-N 1 0 246.398 3.130 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000249612440 135042121 /nfs/dbraw/zinc/04/21/21/135042121.db2.gz DLGKHQFRDMMGJZ-ZBFHGGJFSA-N 1 0 246.398 3.130 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000249612470 135041913 /nfs/dbraw/zinc/04/19/13/135041913.db2.gz DVKZRGIBANJWAR-CABCVRRESA-N 1 0 246.398 3.130 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC000249612471 535541909 /nfs/dbraw/zinc/54/19/09/535541909.db2.gz DVKZRGIBANJWAR-HUUCEWRRSA-N 1 0 246.398 3.130 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000249613378 535540995 /nfs/dbraw/zinc/54/09/95/535540995.db2.gz JZFUMHKDFXKXIJ-GDBMZVCRSA-N 1 0 246.398 3.130 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000249613380 135042315 /nfs/dbraw/zinc/04/23/15/135042315.db2.gz JZFUMHKDFXKXIJ-ZBFHGGJFSA-N 1 0 246.398 3.130 10 0 BGAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000249694021 362264393 /nfs/dbraw/zinc/26/43/93/362264393.db2.gz OQZZHWBQASNXTH-BPNCWPANSA-N 1 0 217.356 3.435 10 0 BGAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000249694023 362264184 /nfs/dbraw/zinc/26/41/84/362264184.db2.gz OQZZHWBQASNXTH-GDLCADMTSA-N 1 0 217.356 3.435 10 0 BGAERO CCCc1noc([C@@H]2CC[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000249719921 635693361 /nfs/dbraw/zinc/69/33/61/635693361.db2.gz DGJWMQNGRHUCGP-TUAOUCFPSA-N 1 0 249.358 3.005 10 0 BGAERO CCCc1noc([C@@H]2CC[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000249719925 644734481 /nfs/dbraw/zinc/73/44/81/644734481.db2.gz DGJWMQNGRHUCGP-UTUOFQBUSA-N 1 0 249.358 3.005 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c(C)c1 ZINC000249728298 322870328 /nfs/dbraw/zinc/87/03/28/322870328.db2.gz VBCGZMAQTJGHIW-CWRNSKLLSA-N 1 0 247.382 3.258 10 0 BGAERO C[C@@H]1C[NH+]([C@H]2CCCc3ccccc32)C[C@@H](C)O1 ZINC000249728510 325659688 /nfs/dbraw/zinc/65/96/88/325659688.db2.gz RQHYCIDEEHQCCJ-IOASZLSFSA-N 1 0 245.366 3.173 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cc1C ZINC000249728668 322870176 /nfs/dbraw/zinc/87/01/76/322870176.db2.gz VXCREVLQAMBNBJ-CWRNSKLLSA-N 1 0 247.382 3.258 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(C)cc1 ZINC000249808777 135046208 /nfs/dbraw/zinc/04/62/08/135046208.db2.gz CDNVILBOHOGCIE-KWCYVHTRSA-N 1 0 203.329 3.444 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(C)cc1 ZINC000249808780 135045842 /nfs/dbraw/zinc/04/58/42/135045842.db2.gz CDNVILBOHOGCIE-XBFCOCLRSA-N 1 0 203.329 3.444 10 0 BGAERO C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCC[C@@H](C)CC1 ZINC000249839973 388733948 /nfs/dbraw/zinc/73/39/48/388733948.db2.gz VUTQQHKVCLKMND-GHMZBOCLSA-N 1 0 249.358 3.130 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000249854160 135046298 /nfs/dbraw/zinc/04/62/98/135046298.db2.gz CUMULUBRDNMVEH-DDTOSNHZSA-N 1 0 201.313 3.062 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2ccccc21 ZINC000249854794 135045895 /nfs/dbraw/zinc/04/58/95/135045895.db2.gz CUMULUBRDNMVEH-SWHYSGLUSA-N 1 0 201.313 3.062 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]2C)c(C)s1 ZINC000249862022 384524795 /nfs/dbraw/zinc/52/47/95/384524795.db2.gz GGWGLNMZOVRYRJ-FDOIEUKUSA-N 1 0 209.358 3.424 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c(C)s1 ZINC000249862025 388153182 /nfs/dbraw/zinc/15/31/82/388153182.db2.gz GGWGLNMZOVRYRJ-VFWDIBGWSA-N 1 0 209.358 3.424 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000249862040 635695794 /nfs/dbraw/zinc/69/57/94/635695794.db2.gz GHAFLOPNNLLLHH-DDTOSNHZSA-N 1 0 231.339 3.071 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc2c(c1)CCO2 ZINC000249862043 644743799 /nfs/dbraw/zinc/74/37/99/644743799.db2.gz GHAFLOPNNLLLHH-SWHYSGLUSA-N 1 0 231.339 3.071 10 0 BGAERO Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C)C2CC2)cc1 ZINC000249862124 322870353 /nfs/dbraw/zinc/87/03/53/322870353.db2.gz GKUSPKLKMXGTQA-DFBGVHRSSA-N 1 0 215.340 3.444 10 0 BGAERO Cc1ccc([C@H]([NH2+][C@H]2C[C@H]2C)C2CC2)cc1 ZINC000249862126 384910777 /nfs/dbraw/zinc/91/07/77/384910777.db2.gz GKUSPKLKMXGTQA-UGFHNGPFSA-N 1 0 215.340 3.444 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)s1 ZINC000249870293 322870576 /nfs/dbraw/zinc/87/05/76/322870576.db2.gz JPSOPJUWARMILK-WCABBAIRSA-N 1 0 209.358 3.370 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)s1 ZINC000249870295 322870528 /nfs/dbraw/zinc/87/05/28/322870528.db2.gz JPSOPJUWARMILK-YWVKMMECSA-N 1 0 209.358 3.370 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000249872127 644743864 /nfs/dbraw/zinc/74/38/64/644743864.db2.gz KHXDKVFOGQMKIN-JFUSQASVSA-N 1 0 237.343 3.361 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000249872130 643397769 /nfs/dbraw/zinc/39/77/69/643397769.db2.gz KHXDKVFOGQMKIN-ZHAHWJHGSA-N 1 0 237.343 3.361 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC)cc1 ZINC000249880261 386852160 /nfs/dbraw/zinc/85/21/60/386852160.db2.gz NHMCYEKEFYBCKV-DDTOSNHZSA-N 1 0 219.328 3.144 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(OC)cc1 ZINC000249880269 386853026 /nfs/dbraw/zinc/85/30/26/386853026.db2.gz NHMCYEKEFYBCKV-SWHYSGLUSA-N 1 0 219.328 3.144 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1C ZINC000249881163 384910699 /nfs/dbraw/zinc/91/06/99/384910699.db2.gz NNJNHGYAZATTPA-DYEKYZERSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1C ZINC000249881165 384910318 /nfs/dbraw/zinc/91/03/18/384910318.db2.gz NNJNHGYAZATTPA-MBNYWOFBSA-N 1 0 203.329 3.362 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000249882012 386853626 /nfs/dbraw/zinc/85/36/26/386853626.db2.gz NSGJTFWPPZBLTO-DAXOMENPSA-N 1 0 238.334 3.169 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H](c1ccccc1)c1ccccn1 ZINC000249882017 386852575 /nfs/dbraw/zinc/85/25/75/386852575.db2.gz NSGJTFWPPZBLTO-UHOFOFEASA-N 1 0 238.334 3.169 10 0 BGAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000249886843 175081148 /nfs/dbraw/zinc/08/11/48/175081148.db2.gz PHCJGQWBRORDLM-MDZLAQPJSA-N 1 0 219.328 3.063 10 0 BGAERO COc1ccc(C)cc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000249886850 175081272 /nfs/dbraw/zinc/08/12/72/175081272.db2.gz PHCJGQWBRORDLM-NTZNESFSSA-N 1 0 219.328 3.063 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000249901146 322870462 /nfs/dbraw/zinc/87/04/62/322870462.db2.gz TVBTUCCYHUYLAJ-SUNKGSAMSA-N 1 0 203.329 3.308 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000249901151 322870573 /nfs/dbraw/zinc/87/05/73/322870573.db2.gz TVBTUCCYHUYLAJ-UHIISALHSA-N 1 0 203.329 3.308 10 0 BGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1C[C@H]1C ZINC000249903638 135047182 /nfs/dbraw/zinc/04/71/82/135047182.db2.gz UINDPKLFIMSAMA-ONERCXAPSA-N 1 0 231.339 3.071 10 0 BGAERO COc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1C[C@H]1C ZINC000249903641 135047276 /nfs/dbraw/zinc/04/72/76/135047276.db2.gz UINDPKLFIMSAMA-WKPIXPDZSA-N 1 0 231.339 3.071 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)cc1 ZINC000249911311 386854943 /nfs/dbraw/zinc/85/49/43/386854943.db2.gz WCJKAYFBKRWPPS-SUNKGSAMSA-N 1 0 219.328 3.144 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000249911316 386854580 /nfs/dbraw/zinc/85/45/80/386854580.db2.gz WCJKAYFBKRWPPS-UHIISALHSA-N 1 0 219.328 3.144 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(F)cc1 ZINC000249917185 135047170 /nfs/dbraw/zinc/04/71/70/135047170.db2.gz XTFXXYCYMRVINP-ICCXJUOJSA-N 1 0 207.292 3.275 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000249918335 176447483 /nfs/dbraw/zinc/44/74/83/176447483.db2.gz YACWZNFBKQIQOW-ADEWGFFLSA-N 1 0 219.353 3.222 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCSc2ccccc21 ZINC000249918339 384909628 /nfs/dbraw/zinc/90/96/28/384909628.db2.gz YACWZNFBKQIQOW-USWWRNFRSA-N 1 0 219.353 3.222 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H]2C)c(C)c1 ZINC000249921876 384909865 /nfs/dbraw/zinc/90/98/65/384909865.db2.gz YYWUHSNBPMXEFS-DYEKYZERSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c(C)c1 ZINC000249921882 384908859 /nfs/dbraw/zinc/90/88/59/384908859.db2.gz YYWUHSNBPMXEFS-MBNYWOFBSA-N 1 0 203.329 3.362 10 0 BGAERO CC(C)[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccccc1 ZINC000249924267 384909955 /nfs/dbraw/zinc/90/99/55/384909955.db2.gz ZKHDOUPZBVJALX-BNOWGMLFSA-N 1 0 203.329 3.382 10 0 BGAERO CC(C)[C@H]([NH2+][C@H]1C[C@H]1C)c1ccccc1 ZINC000249924269 384910848 /nfs/dbraw/zinc/91/08/48/384910848.db2.gz ZKHDOUPZBVJALX-XBFCOCLRSA-N 1 0 203.329 3.382 10 0 BGAERO CN(Cc1ccccc1)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000250148841 362789383 /nfs/dbraw/zinc/78/93/83/362789383.db2.gz AUKFMNHOJFJCOL-CVEARBPZSA-N 1 0 246.398 3.169 10 0 BGAERO CN(Cc1ccccc1)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000250148844 362789477 /nfs/dbraw/zinc/78/94/77/362789477.db2.gz AUKFMNHOJFJCOL-HZPDHXFCSA-N 1 0 246.398 3.169 10 0 BGAERO [NH3+][C@@H](c1sccc1Cl)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250166185 362793673 /nfs/dbraw/zinc/79/36/73/362793673.db2.gz JZKZCNKTXAQQLF-GOZTYBTRSA-N 1 0 227.760 3.447 10 0 BGAERO [NH3+][C@H](c1sccc1Cl)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000250166189 362793957 /nfs/dbraw/zinc/79/39/57/362793957.db2.gz JZKZCNKTXAQQLF-WDQPUEAGSA-N 1 0 227.760 3.447 10 0 BGAERO [NH3+][C@@H](c1sccc1Cl)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250194063 362795414 /nfs/dbraw/zinc/79/54/14/362795414.db2.gz XPQNBBDHILTFDK-IBCQBUCCSA-N 1 0 227.760 3.447 10 0 BGAERO [NH3+][C@H](c1sccc1Cl)[C@@H]1C[C@H]2C[C@H]2C1 ZINC000250194067 362795552 /nfs/dbraw/zinc/79/55/52/362795552.db2.gz XPQNBBDHILTFDK-ODHVRURNSA-N 1 0 227.760 3.447 10 0 BGAERO CCS[C@@H]1C[C@H](C(C)(C)C)CC[C@H]1[NH3+] ZINC000250242876 362796678 /nfs/dbraw/zinc/79/66/78/362796678.db2.gz MRXZFWBLNAZLLN-GMTAPVOTSA-N 1 0 215.406 3.282 10 0 BGAERO CCS[C@@H]1C[C@@H](C(C)(C)C)CC[C@H]1[NH3+] ZINC000250242887 362797037 /nfs/dbraw/zinc/79/70/37/362797037.db2.gz MRXZFWBLNAZLLN-HBNTYKKESA-N 1 0 215.406 3.282 10 0 BGAERO C[N@H+](Cc1ccccc1)[C@@H]1CCCCCC[C@H]1O ZINC000250253938 362796936 /nfs/dbraw/zinc/79/69/36/362796936.db2.gz XOTILWYRJFVHAX-HZPDHXFCSA-N 1 0 247.382 3.202 10 0 BGAERO C[N@H+](Cc1ccccc1)[C@H]1CCCCCC[C@H]1O ZINC000250253943 362797464 /nfs/dbraw/zinc/79/74/64/362797464.db2.gz XOTILWYRJFVHAX-JKSUJKDBSA-N 1 0 247.382 3.202 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000250259638 388787881 /nfs/dbraw/zinc/78/78/81/388787881.db2.gz JOHYRSKYOFIXMA-HIFRSBDPSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@H](C)C2CCCCC2)C1 ZINC000250259643 388787571 /nfs/dbraw/zinc/78/75/71/388787571.db2.gz JOHYRSKYOFIXMA-UKRRQHHQSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000250345397 387155703 /nfs/dbraw/zinc/15/57/03/387155703.db2.gz QJVUCLDFRJFSLL-KBPBESRZSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@H]2CCCCC2(C)C)C1 ZINC000250345401 398252492 /nfs/dbraw/zinc/25/24/92/398252492.db2.gz QJVUCLDFRJFSLL-KGLIPLIRSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000250386373 135052416 /nfs/dbraw/zinc/05/24/16/135052416.db2.gz XOXOUIXHOXQRDW-KBPBESRZSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@H]2CCCC(C)(C)C2)C1 ZINC000250386377 535541504 /nfs/dbraw/zinc/54/15/04/535541504.db2.gz XOXOUIXHOXQRDW-UONOGXRCSA-N 1 0 238.419 3.029 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)s1 ZINC000250452591 188193260 /nfs/dbraw/zinc/19/32/60/188193260.db2.gz YXZCIDLEFBMUTQ-JBLDHEPKSA-N 1 0 239.384 3.139 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)s1 ZINC000250452593 385602192 /nfs/dbraw/zinc/60/21/92/385602192.db2.gz YXZCIDLEFBMUTQ-NHCYSSNCSA-N 1 0 239.384 3.139 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cc1 ZINC000250499415 322870379 /nfs/dbraw/zinc/87/03/79/322870379.db2.gz DYMGXWMZRAXHEK-HEHGZKQESA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cc1 ZINC000250499420 322870558 /nfs/dbraw/zinc/87/05/58/322870558.db2.gz DYMGXWMZRAXHEK-WOSRLPQWSA-N 1 0 247.382 3.467 10 0 BGAERO CCOc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000250508216 535549302 /nfs/dbraw/zinc/54/93/02/535549302.db2.gz GPTLDYZGHIPQNF-MDZLAQPJSA-N 1 0 219.328 3.144 10 0 BGAERO CCOc1ccccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000250508220 535549544 /nfs/dbraw/zinc/54/95/44/535549544.db2.gz GPTLDYZGHIPQNF-NTZNESFSSA-N 1 0 219.328 3.144 10 0 BGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]2C)C12CCCCC2 ZINC000250510488 398254150 /nfs/dbraw/zinc/25/41/50/398254150.db2.gz NQJYXYPUJYHCDK-XDQVBPFNSA-N 1 0 237.387 3.112 10 0 BGAERO CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]2C)C12CCCCC2 ZINC000250510491 325665543 /nfs/dbraw/zinc/66/55/43/325665543.db2.gz NQJYXYPUJYHCDK-YIYPIFLZSA-N 1 0 237.387 3.112 10 0 BGAERO CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]2C)C12CCCCC2 ZINC000250510494 398254111 /nfs/dbraw/zinc/25/41/11/398254111.db2.gz NQJYXYPUJYHCDK-ZOBORPQBSA-N 1 0 237.387 3.112 10 0 BGAERO CCOCCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000250520180 323140349 /nfs/dbraw/zinc/14/03/49/323140349.db2.gz PRUIXBJKGZEMDR-QLFBSQMISA-N 1 0 241.419 3.463 10 0 BGAERO CCOCCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000250520186 384910710 /nfs/dbraw/zinc/91/07/10/384910710.db2.gz PRUIXBJKGZEMDR-SOUVJXGZSA-N 1 0 241.419 3.463 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000250528391 135056230 /nfs/dbraw/zinc/05/62/30/135056230.db2.gz SUPYKBIKLHYBMO-RCBQFDQVSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000250528992 135055703 /nfs/dbraw/zinc/05/57/03/135055703.db2.gz SUPYKBIKLHYBMO-VBNZEHGJSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]2OC)cc1 ZINC000250537589 644761982 /nfs/dbraw/zinc/76/19/82/644761982.db2.gz YAPZWKBIYTUFHD-VBNZEHGJSA-N 1 0 247.382 3.467 10 0 BGAERO CC(C)CCC[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000250588871 388737672 /nfs/dbraw/zinc/73/76/72/388737672.db2.gz JKDJSLBWNYCJBC-GJZGRUSLSA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)CCC[N@@H+]1CC[C@]2(O)CCCC[C@H]2C1 ZINC000250588874 388737630 /nfs/dbraw/zinc/73/76/30/388737630.db2.gz JKDJSLBWNYCJBC-LSDHHAIUSA-N 1 0 239.403 3.050 10 0 BGAERO CC[NH2+][C@]1(C(F)F)CC[C@@H](C)C[C@H]1C ZINC000250598976 362811744 /nfs/dbraw/zinc/81/17/44/362811744.db2.gz DQSYLZXCFFBMSZ-FXPVBKGRSA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@]1(C(F)F)CC[C@H](C)C[C@H]1C ZINC000250598977 362811831 /nfs/dbraw/zinc/81/18/31/362811831.db2.gz DQSYLZXCFFBMSZ-IQJOONFLSA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@]1(C(F)F)C[C@H](C)CC[C@H]1C ZINC000250602672 362812482 /nfs/dbraw/zinc/81/24/82/362812482.db2.gz FPATWEPYLCHFQH-FXPVBKGRSA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@]1(C(F)F)C[C@@H](C)CC[C@H]1C ZINC000250602674 362812392 /nfs/dbraw/zinc/81/23/92/362812392.db2.gz FPATWEPYLCHFQH-IQJOONFLSA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@@]1(C(F)F)[C@H](C)CCC[C@@H]1C ZINC000250618880 362812728 /nfs/dbraw/zinc/81/27/28/362812728.db2.gz JDFOQYZTRGJKSX-JZYVYDRUSA-N 1 0 205.292 3.056 10 0 BGAERO CC[NH2+][C@H]1[C@H](C)[C@@H](c2cccs2)[C@@H]1C ZINC000250657466 350885253 /nfs/dbraw/zinc/88/52/53/350885253.db2.gz PZHIKIQMPMOVMK-SKWLPYGWSA-N 1 0 209.358 3.096 10 0 BGAERO CC(C)[NH2+][C@H]1CCCN(C[C@H](C)C(C)(C)C)C1 ZINC000250779433 635495036 /nfs/dbraw/zinc/49/50/36/635495036.db2.gz WGEAFATXRVNUDW-KBPBESRZSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)[NH2+][C@@H]1CCCN(C[C@H](C)C(C)(C)C)C1 ZINC000250779436 635494584 /nfs/dbraw/zinc/49/45/84/635494584.db2.gz WGEAFATXRVNUDW-UONOGXRCSA-N 1 0 240.435 3.131 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000250797888 644780263 /nfs/dbraw/zinc/78/02/63/644780263.db2.gz BPMOKYTXLGJFIW-MELADBBJSA-N 1 0 227.392 3.238 10 0 BGAERO CCCCCC[C@H](C)[NH2+]C[C@H]1CCC[C@H]1O ZINC000250808622 712834897 /nfs/dbraw/zinc/83/48/97/712834897.db2.gz GSSVSHIXRVTXRK-BFHYXJOUSA-N 1 0 227.392 3.096 10 0 BGAERO CCCCCC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000250837838 644781813 /nfs/dbraw/zinc/78/18/13/644781813.db2.gz VZIRDDAMHNVDHQ-RRFJBIMHSA-N 1 0 241.419 3.486 10 0 BGAERO CCCCCC[C@H](C)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000250837839 644782354 /nfs/dbraw/zinc/78/23/54/644782354.db2.gz VZIRDDAMHNVDHQ-SOUVJXGZSA-N 1 0 241.419 3.486 10 0 BGAERO CCCCC[C@H](C)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000250844896 644782659 /nfs/dbraw/zinc/78/26/59/644782659.db2.gz ZTRDFLKENPKINF-BFHYXJOUSA-N 1 0 227.392 3.096 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000250880948 385611601 /nfs/dbraw/zinc/61/16/01/385611601.db2.gz UZTYDDFIULFMSI-GRYCIOLGSA-N 1 0 239.384 3.275 10 0 BGAERO Cc1ccsc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000250880950 179554443 /nfs/dbraw/zinc/55/44/43/179554443.db2.gz UZTYDDFIULFMSI-SDDRHHMPSA-N 1 0 239.384 3.275 10 0 BGAERO Cc1ccccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250996523 179306994 /nfs/dbraw/zinc/30/69/94/179306994.db2.gz SWUFXKUTTZSSQD-KBPBESRZSA-N 1 0 230.355 3.034 10 0 BGAERO Cc1ccccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000250996525 179306910 /nfs/dbraw/zinc/30/69/10/179306910.db2.gz SWUFXKUTTZSSQD-KGLIPLIRSA-N 1 0 230.355 3.034 10 0 BGAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000251025287 538032215 /nfs/dbraw/zinc/03/22/15/538032215.db2.gz YLQRQXMSGVSAPR-MDZLAQPJSA-N 1 0 219.328 3.063 10 0 BGAERO COc1cc(C)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000251025289 538032371 /nfs/dbraw/zinc/03/23/71/538032371.db2.gz YLQRQXMSGVSAPR-NTZNESFSSA-N 1 0 219.328 3.063 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000251073815 385616962 /nfs/dbraw/zinc/61/69/62/385616962.db2.gz KDAVAEVDAOCUBI-KGYLQXTDSA-N 1 0 249.354 3.153 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1ccc(OC)c(OC)c1 ZINC000251073818 385615524 /nfs/dbraw/zinc/61/55/24/385615524.db2.gz KDAVAEVDAOCUBI-WXHSDQCUSA-N 1 0 249.354 3.153 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1C ZINC000251076935 325673778 /nfs/dbraw/zinc/67/37/78/325673778.db2.gz PWLRTDLSQGYMGJ-DZKIICNBSA-N 1 0 247.382 3.440 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1C ZINC000251076941 325673769 /nfs/dbraw/zinc/67/37/69/325673769.db2.gz PWLRTDLSQGYMGJ-OFQRWUPVSA-N 1 0 247.382 3.440 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1O)c1ccc(C)cc1 ZINC000251095172 535913101 /nfs/dbraw/zinc/91/31/01/535913101.db2.gz PSNSQCYJHYDERD-OWCLPIDISA-N 1 0 247.382 3.197 10 0 BGAERO CCC[C@@H]1[NH2+]CC[C@H](C)S[C@H]1CC ZINC000251106393 350890939 /nfs/dbraw/zinc/89/09/39/350890939.db2.gz FMGUJDYKQMLLIO-DCAQKATOSA-N 1 0 201.379 3.049 10 0 BGAERO CCC[C@@H]1[NH2+][C@H](C)CCS[C@H]1CC ZINC000251114290 362838408 /nfs/dbraw/zinc/83/84/08/362838408.db2.gz GWTJDHORGLHUDW-VWYCJHECSA-N 1 0 201.379 3.049 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000251139531 135064829 /nfs/dbraw/zinc/06/48/29/135064829.db2.gz KZZJZNGVJROURF-HRCADAONSA-N 1 0 246.398 3.245 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000251139536 135065294 /nfs/dbraw/zinc/06/52/94/135065294.db2.gz KZZJZNGVJROURF-JYJNAYRXSA-N 1 0 246.398 3.245 10 0 BGAERO C[C@H](C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C)N(C)C ZINC000251142374 384912261 /nfs/dbraw/zinc/91/22/61/384912261.db2.gz WOQGCWNUJPMHHB-MCIONIFRSA-N 1 0 240.435 3.131 10 0 BGAERO C[C@H](C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C)N(C)C ZINC000251142377 384912027 /nfs/dbraw/zinc/91/20/27/384912027.db2.gz WOQGCWNUJPMHHB-MGPQQGTHSA-N 1 0 240.435 3.131 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)c1 ZINC000251143898 384911853 /nfs/dbraw/zinc/91/18/53/384911853.db2.gz FBWZLHWVQKYXDM-CWRNSKLLSA-N 1 0 247.382 3.258 10 0 BGAERO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000251149348 487749180 /nfs/dbraw/zinc/74/91/80/487749180.db2.gz KUGKYNFFBAUIKP-HZSPNIEDSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C1 ZINC000251149651 349183243 /nfs/dbraw/zinc/18/32/43/349183243.db2.gz KZKZDZBINWEEPC-BFHYXJOUSA-N 1 0 239.403 3.238 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2O)cc1C ZINC000251151444 387184694 /nfs/dbraw/zinc/18/46/94/387184694.db2.gz DCNIXARLTSWZCP-NUEKZKHPSA-N 1 0 247.382 3.115 10 0 BGAERO C[C@H](CCO)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000251165552 388745726 /nfs/dbraw/zinc/74/57/26/388745726.db2.gz CYICWXLOPJBGPW-MCIONIFRSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CCO)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251165561 388745781 /nfs/dbraw/zinc/74/57/81/388745781.db2.gz CYICWXLOPJBGPW-MGPQQGTHSA-N 1 0 241.419 3.199 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]2O)c(C)c1 ZINC000251172988 385617478 /nfs/dbraw/zinc/61/74/78/385617478.db2.gz RFWWZGDLVBQNJM-SQWLQELKSA-N 1 0 247.382 3.115 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000251172994 384915868 /nfs/dbraw/zinc/91/58/68/384915868.db2.gz RHWQJZREJLEILD-DYEKYZERSA-N 1 0 203.329 3.362 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000251172995 384915988 /nfs/dbraw/zinc/91/59/88/384915988.db2.gz RHWQJZREJLEILD-MBNYWOFBSA-N 1 0 203.329 3.362 10 0 BGAERO CC1(C)CCC[C@H]([NH2+]C[C@H]2CCCC[C@H]2O)C1 ZINC000251175759 388745773 /nfs/dbraw/zinc/74/57/73/388745773.db2.gz PULQSXBOQNDURV-HZSPNIEDSA-N 1 0 239.403 3.096 10 0 BGAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000251190013 179061316 /nfs/dbraw/zinc/06/13/16/179061316.db2.gz MNCOORORXXLIRO-IPYPFGDCSA-N 1 0 217.356 3.314 10 0 BGAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000251190014 179061514 /nfs/dbraw/zinc/06/15/14/179061514.db2.gz MNCOORORXXLIRO-VNHYZAJKSA-N 1 0 217.356 3.314 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000251206272 325675174 /nfs/dbraw/zinc/67/51/74/325675174.db2.gz CPUVWERFLVJIKB-IPYPFGDCSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251206276 325675196 /nfs/dbraw/zinc/67/51/96/325675196.db2.gz CPUVWERFLVJIKB-NFAWXSAZSA-N 1 0 241.419 3.342 10 0 BGAERO Cc1cccc(CC[C@H](C)[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000251208047 179061834 /nfs/dbraw/zinc/06/18/34/179061834.db2.gz YCSKHPVRUKCFDI-DZKIICNBSA-N 1 0 247.382 3.083 10 0 BGAERO Cc1cccc(CC[C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000251208050 179062064 /nfs/dbraw/zinc/06/20/64/179062064.db2.gz YCSKHPVRUKCFDI-OFQRWUPVSA-N 1 0 247.382 3.083 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000251218953 535932352 /nfs/dbraw/zinc/93/23/52/535932352.db2.gz ISHVJFVNKYSCBA-ARFHVFGLSA-N 1 0 247.382 3.421 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000251218955 135066308 /nfs/dbraw/zinc/06/63/08/135066308.db2.gz ISHVJFVNKYSCBA-HRCADAONSA-N 1 0 247.382 3.421 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000251244452 325675384 /nfs/dbraw/zinc/67/53/84/325675384.db2.gz JEYWRCYTHTYVNF-BARDWOONSA-N 1 0 241.419 3.198 10 0 BGAERO CC[C@](C)(O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000251244457 383875847 /nfs/dbraw/zinc/87/58/47/383875847.db2.gz JEYWRCYTHTYVNF-XQLPTFJDSA-N 1 0 241.419 3.198 10 0 BGAERO C[C@H](CCCO)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000251250761 325675469 /nfs/dbraw/zinc/67/54/69/325675469.db2.gz ULJGKCQALJBQDQ-MCIONIFRSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H](CCCO)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000251250765 325675382 /nfs/dbraw/zinc/67/53/82/325675382.db2.gz ULJGKCQALJBQDQ-MGPQQGTHSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1cccnc1 ZINC000251253193 385619256 /nfs/dbraw/zinc/61/92/56/385619256.db2.gz JIJJAINHAGTAOW-RCBQFDQVSA-N 1 0 238.334 3.288 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1cccnc1 ZINC000251253199 385618304 /nfs/dbraw/zinc/61/83/04/385618304.db2.gz JIJJAINHAGTAOW-VBNZEHGJSA-N 1 0 238.334 3.288 10 0 BGAERO CC[C@@H]1CS[C@]2(CC[C@@H](C)[C@H](C)C2)[NH2+]1 ZINC000251278128 362854099 /nfs/dbraw/zinc/85/40/99/362854099.db2.gz FXLQYYKARKQLQS-KKOKHZNYSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CS[C@]2(CC[C@H](C)[C@@H](C)C2)[NH2+]1 ZINC000251278132 362854203 /nfs/dbraw/zinc/85/42/03/362854203.db2.gz FXLQYYKARKQLQS-YFKTTZPYSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1ccccn1 ZINC000251292065 385620792 /nfs/dbraw/zinc/62/07/92/385620792.db2.gz VZJCESGYTDERAT-DUVNUKRYSA-N 1 0 238.334 3.288 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1ccccn1 ZINC000251292067 385622134 /nfs/dbraw/zinc/62/21/34/385622134.db2.gz VZJCESGYTDERAT-NOLJZWGESA-N 1 0 238.334 3.288 10 0 BGAERO CC[C@H]1CS[C@@]2(C[C@H](C)C[C@H](C)C2)[NH2+]1 ZINC000251296216 388325125 /nfs/dbraw/zinc/32/51/25/388325125.db2.gz IIQWFZWKEPCTES-USZNOCQGSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CS[C@@]2(C[C@H](C)C[C@H](C)C2)[NH2+]1 ZINC000251296218 388325166 /nfs/dbraw/zinc/32/51/66/388325166.db2.gz IIQWFZWKEPCTES-WRWGMCAJSA-N 1 0 213.390 3.254 10 0 BGAERO CCCC[C@@H](CC)C[N@@H+]1CCC[C@H]1CCCO ZINC000251306425 384915279 /nfs/dbraw/zinc/91/52/79/384915279.db2.gz IIAFAYZOLVLKFH-CABCVRRESA-N 1 0 241.419 3.440 10 0 BGAERO CCCC[C@H](CC)C[N@@H+]1CCC[C@H]1CCCO ZINC000251306429 384915851 /nfs/dbraw/zinc/91/58/51/384915851.db2.gz IIAFAYZOLVLKFH-GJZGRUSLSA-N 1 0 241.419 3.440 10 0 BGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000251335763 636691925 /nfs/dbraw/zinc/69/19/25/636691925.db2.gz PGAYCNWQWOPTBS-AJNGGQMLSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000251335766 636691380 /nfs/dbraw/zinc/69/13/80/636691380.db2.gz PGAYCNWQWOPTBS-XGUBFFRZSA-N 1 0 239.403 3.094 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1cccs1 ZINC000251340635 135068787 /nfs/dbraw/zinc/06/87/87/135068787.db2.gz ZNFJHNYCANONMN-SDDRHHMPSA-N 1 0 239.384 3.092 10 0 BGAERO CC[C@H](C)S[C@H]1CCCCC[C@H]1[NH3+] ZINC000251344259 388342861 /nfs/dbraw/zinc/34/28/61/388342861.db2.gz LDWPDPYDXAWJQY-AXFHLTTASA-N 1 0 201.379 3.178 10 0 BGAERO CC[C@H](C)S[C@@H]1CCCCC[C@H]1[NH3+] ZINC000251344261 388342844 /nfs/dbraw/zinc/34/28/44/388342844.db2.gz LDWPDPYDXAWJQY-HBNTYKKESA-N 1 0 201.379 3.178 10 0 BGAERO CC(C)[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1O ZINC000251349994 325676016 /nfs/dbraw/zinc/67/60/16/325676016.db2.gz SCAMXAPYFCFOQY-ZQDZILKHSA-N 1 0 239.403 3.094 10 0 BGAERO CC[C@H](C)S[C@@H]1CCCC(C)(C)[C@H]1[NH3+] ZINC000251354949 362866825 /nfs/dbraw/zinc/86/68/25/362866825.db2.gz NQEIGKIZHSZRLZ-AXFHLTTASA-N 1 0 215.406 3.424 10 0 BGAERO CC[C@H](C)S[C@H]1CCCC(C)(C)[C@H]1[NH3+] ZINC000251354950 362866750 /nfs/dbraw/zinc/86/67/50/362866750.db2.gz NQEIGKIZHSZRLZ-DCAQKATOSA-N 1 0 215.406 3.424 10 0 BGAERO CC[C@H](C)c1noc([C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000251365788 635704090 /nfs/dbraw/zinc/70/40/90/635704090.db2.gz PUTGQGOWOHISLV-QCNOEVLYSA-N 1 0 249.358 3.176 10 0 BGAERO CC[C@H](C)c1noc([C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)n1 ZINC000251365791 644802667 /nfs/dbraw/zinc/80/26/67/644802667.db2.gz PUTGQGOWOHISLV-USZNOCQGSA-N 1 0 249.358 3.176 10 0 BGAERO CC[C@H](C)c1noc([C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)n1 ZINC000251365795 644803082 /nfs/dbraw/zinc/80/30/82/644803082.db2.gz PUTGQGOWOHISLV-YFKTTZPYSA-N 1 0 249.358 3.176 10 0 BGAERO CC(C)CCC[C@H](C)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000251370924 349186600 /nfs/dbraw/zinc/18/66/00/349186600.db2.gz FYHQBVJNJKWSOA-RRFJBIMHSA-N 1 0 241.419 3.484 10 0 BGAERO CCCC[C@H](CC)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000251393213 325676626 /nfs/dbraw/zinc/67/66/26/325676626.db2.gz ULMXNGVYOQVZFJ-HZSPNIEDSA-N 1 0 227.392 3.096 10 0 BGAERO CC(C)CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000251408967 384915239 /nfs/dbraw/zinc/91/52/39/384915239.db2.gz NKFIFHPPKSTBNB-MELADBBJSA-N 1 0 227.392 3.094 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000251415643 325676760 /nfs/dbraw/zinc/67/67/60/325676760.db2.gz XVWSIBLJBQCQKM-FRRDWIJNSA-N 1 0 213.365 3.112 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000251415646 388747445 /nfs/dbraw/zinc/74/74/45/388747445.db2.gz XVWSIBLJBQCQKM-RWMBFGLXSA-N 1 0 213.365 3.112 10 0 BGAERO CC[C@@H]1CC[C@@H]2[NH2+][C@@H](CC)CS[C@H]2C1 ZINC000251471938 362879845 /nfs/dbraw/zinc/87/98/45/362879845.db2.gz BNDDEPYHMOGUTA-RHYQMDGZSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@@H]2[NH2+][C@H](CC)CS[C@@H]2C1 ZINC000251471944 362879866 /nfs/dbraw/zinc/87/98/66/362879866.db2.gz BNDDEPYHMOGUTA-WISYIIOYSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@@H]2[NH2+][C@H](CC)CS[C@H]2C1 ZINC000251471949 362879873 /nfs/dbraw/zinc/87/98/73/362879873.db2.gz BNDDEPYHMOGUTA-WYUUTHIRSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@H]1O ZINC000251531348 171299524 /nfs/dbraw/zinc/29/95/24/171299524.db2.gz ATCJZRUMAOSGBV-XDQVBPFNSA-N 1 0 227.392 3.094 10 0 BGAERO C[C@@H]1CCS[C@@H]2CCCC(C)(C)[C@H]2[NH2+]1 ZINC000251564301 362887037 /nfs/dbraw/zinc/88/70/37/362887037.db2.gz CZUBWGNCOOGCDC-MXWKQRLJSA-N 1 0 213.390 3.049 10 0 BGAERO C[C@@H]1CCS[C@H]2CCCC(C)(C)[C@H]2[NH2+]1 ZINC000251564319 362886889 /nfs/dbraw/zinc/88/68/89/362886889.db2.gz CZUBWGNCOOGCDC-VWYCJHECSA-N 1 0 213.390 3.049 10 0 BGAERO CC(=O)[C@@H]1CCC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000251566885 644810496 /nfs/dbraw/zinc/81/04/96/644810496.db2.gz TYGPCPQRHWODLU-IUODEOHRSA-N 1 0 231.339 3.049 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(CC)C1 ZINC000251586096 388748940 /nfs/dbraw/zinc/74/89/40/388748940.db2.gz CNPWUOSRIGRJAA-ILXRZTDVSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(CC)C1 ZINC000251586104 388749555 /nfs/dbraw/zinc/74/95/55/388749555.db2.gz CNPWUOSRIGRJAA-QLFBSQMISA-N 1 0 238.419 3.029 10 0 BGAERO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000251592755 176151075 /nfs/dbraw/zinc/15/10/75/176151075.db2.gz BJPMDNZZYHEYFF-BNOWGMLFSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000251592762 176133022 /nfs/dbraw/zinc/13/30/22/176133022.db2.gz BJPMDNZZYHEYFF-XBFCOCLRSA-N 1 0 231.339 3.288 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)CN2CCCCC2)C1 ZINC000251596564 135072579 /nfs/dbraw/zinc/07/25/79/135072579.db2.gz KEWHTXTVFBZBLQ-KFWWJZLASA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CN2CCCCC2)C1 ZINC000251596570 135072173 /nfs/dbraw/zinc/07/21/73/135072173.db2.gz KEWHTXTVFBZBLQ-RBSFLKMASA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@H](CC(C)C)CN(C)C)C1 ZINC000251629686 325678747 /nfs/dbraw/zinc/67/87/47/325678747.db2.gz MAXVLGWATCQADW-QLFBSQMISA-N 1 0 240.435 3.131 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](CC(C)C)CN(C)C)C1 ZINC000251629692 325679011 /nfs/dbraw/zinc/67/90/11/325679011.db2.gz MAXVLGWATCQADW-RBSFLKMASA-N 1 0 240.435 3.131 10 0 BGAERO CC[C@@H]1CC[C@H]2[NH2+]C(C)(C)CS[C@H]2C1 ZINC000251641490 362894031 /nfs/dbraw/zinc/89/40/31/362894031.db2.gz MSUKVDWWYXGMHM-MXWKQRLJSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@@H]2[NH2+]C(C)(C)CS[C@H]2C1 ZINC000251641496 362894012 /nfs/dbraw/zinc/89/40/12/362894012.db2.gz MSUKVDWWYXGMHM-VWYCJHECSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000251669339 135073600 /nfs/dbraw/zinc/07/36/00/135073600.db2.gz OMRNDOWJFLGPME-FRRDWIJNSA-N 1 0 227.417 3.440 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCCS2)C1 ZINC000251669342 135073096 /nfs/dbraw/zinc/07/30/96/135073096.db2.gz OMRNDOWJFLGPME-JHJVBQTASA-N 1 0 227.417 3.440 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2O)CC(C)(C)C1 ZINC000251677081 176426254 /nfs/dbraw/zinc/42/62/54/176426254.db2.gz AHSOJAFFYIIPFB-ZOBORPQBSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2)[C@H]1C ZINC000251679328 362897315 /nfs/dbraw/zinc/89/73/15/362897315.db2.gz AJTPVCNILAATLL-DYEKYZERSA-N 1 0 203.329 3.211 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2)[C@H]1C ZINC000251679332 362896982 /nfs/dbraw/zinc/89/69/82/362896982.db2.gz AJTPVCNILAATLL-MBNYWOFBSA-N 1 0 203.329 3.211 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H](CO)c2ccccc2)C[C@H]1C ZINC000251680233 135073154 /nfs/dbraw/zinc/07/31/54/135073154.db2.gz GUTNGCHELAXQSG-VDERGJSUSA-N 1 0 247.382 3.134 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000251684491 135074924 /nfs/dbraw/zinc/07/49/24/135074924.db2.gz PMUCIZBJSNFXBR-BZPMIXESSA-N 1 0 231.339 3.288 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000251684493 535824629 /nfs/dbraw/zinc/82/46/29/535824629.db2.gz PMUCIZBJSNFXBR-DYEKYZERSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]1CC[C@H](C)[C@]2(C1)[NH2+][C@@H](C)CCS2 ZINC000251688544 362898182 /nfs/dbraw/zinc/89/81/82/362898182.db2.gz ASNQUBWBPANCAB-NOOOWODRSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1CC[C@H](C)[C@]2(C1)[NH2+][C@H](C)CCS2 ZINC000251688547 362898172 /nfs/dbraw/zinc/89/81/72/362898172.db2.gz ASNQUBWBPANCAB-WRWGMCAJSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000251698738 362899924 /nfs/dbraw/zinc/89/99/24/362899924.db2.gz HOMWVKDJRPERDB-SHPPOPEUSA-N 1 0 245.366 3.206 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@@H]2Cc3ccccc3[C@H]2[NH3+])C1 ZINC000251698739 362899382 /nfs/dbraw/zinc/89/93/82/362899382.db2.gz HOMWVKDJRPERDB-WXYCVUISSA-N 1 0 245.366 3.206 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@H]2Cc3ccccc3[C@@H]2[NH3+])C1 ZINC000251698740 362899329 /nfs/dbraw/zinc/89/93/29/362899329.db2.gz HOMWVKDJRPERDB-XTBFLFJDSA-N 1 0 245.366 3.206 10 0 BGAERO CC[C@@H]1[C@H]([NH3+])C[C@H]1c1ccc(Cl)s1 ZINC000251706887 350901148 /nfs/dbraw/zinc/90/11/48/350901148.db2.gz QZXYBRDRTXUPER-XLPZGREQSA-N 1 0 215.749 3.242 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCC[C@@H](C2CC2)C1)[C@H]1CCCO1 ZINC000251708075 135074397 /nfs/dbraw/zinc/07/43/97/135074397.db2.gz XZKGXDMTCGDHJY-ZGKBOVNRSA-N 1 0 237.387 3.112 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C[C@H](C)CCO ZINC000251723979 388752461 /nfs/dbraw/zinc/75/24/61/388752461.db2.gz CCZKXVADWPIVIB-APIJFGDWSA-N 1 0 241.419 3.055 10 0 BGAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C[C@H](C)CCO ZINC000251724683 325680744 /nfs/dbraw/zinc/68/07/44/325680744.db2.gz CCZKXVADWPIVIB-LJISPDSOSA-N 1 0 241.419 3.055 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+][C@H](CN(C)C)c2ccccc2)C1 ZINC000251730749 135075504 /nfs/dbraw/zinc/07/55/04/135075504.db2.gz CIUGOGMTMRCMHO-FVQBIDKESA-N 1 0 246.398 3.068 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@H](CN(C)C)c2ccccc2)C1 ZINC000251730753 135075912 /nfs/dbraw/zinc/07/59/12/135075912.db2.gz CIUGOGMTMRCMHO-VNQPRFMTSA-N 1 0 246.398 3.068 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@H]2Cc3ccccc3O2)C1 ZINC000251739532 325680678 /nfs/dbraw/zinc/68/06/78/325680678.db2.gz TUTPUJYFFCETKT-BPLDGKMQSA-N 1 0 245.366 3.158 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3O2)C1 ZINC000251740134 325681084 /nfs/dbraw/zinc/68/10/84/325681084.db2.gz TUTPUJYFFCETKT-VHDGCEQUSA-N 1 0 245.366 3.158 10 0 BGAERO CC[C@@H]1CC[C@@H]2[NH2+][C@@H](C)CCS[C@H]2C1 ZINC000251745732 362905424 /nfs/dbraw/zinc/90/54/24/362905424.db2.gz UEKIMOJVWWASJR-USZNOCQGSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@@H]2[NH2+][C@H](C)CCS[C@@H]2C1 ZINC000251745737 362905060 /nfs/dbraw/zinc/90/50/60/362905060.db2.gz UEKIMOJVWWASJR-WISYIIOYSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@@H]2[NH2+][C@H](C)CCS[C@H]2C1 ZINC000251745744 362905164 /nfs/dbraw/zinc/90/51/64/362905164.db2.gz UEKIMOJVWWASJR-WYUUTHIRSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCCC[C@H]1O ZINC000251749007 325681126 /nfs/dbraw/zinc/68/11/26/325681126.db2.gz GTXKHELPWCYRMT-LJISPDSOSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000251749011 325681117 /nfs/dbraw/zinc/68/11/17/325681117.db2.gz GTXKHELPWCYRMT-XGUBFFRZSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000251749015 388752337 /nfs/dbraw/zinc/75/23/37/388752337.db2.gz GTXKHELPWCYRMT-ZQDZILKHSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+][C@H](C)CCS2 ZINC000251756475 362907506 /nfs/dbraw/zinc/90/75/06/362907506.db2.gz SWPDKAGPNJFVNE-GMTAPVOTSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+][C@H](C)CCS2 ZINC000251756481 362907428 /nfs/dbraw/zinc/90/74/28/362907428.db2.gz SWPDKAGPNJFVNE-KXNHARMFSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+][C@@H](C)CCS2 ZINC000251756487 362908071 /nfs/dbraw/zinc/90/80/71/362908071.db2.gz SWPDKAGPNJFVNE-WHOHXGKFSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccccc32)CCO1 ZINC000251766606 176378668 /nfs/dbraw/zinc/37/86/68/176378668.db2.gz DVUPAHSSGUGQNV-INWMFGNUSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)CCO1 ZINC000251766610 385634964 /nfs/dbraw/zinc/63/49/64/385634964.db2.gz DVUPAHSSGUGQNV-XPKDYRNWSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@H]1C[C@H](SCC(C)(C)[NH3+])C[C@@H](C)C1 ZINC000251787631 362919050 /nfs/dbraw/zinc/91/90/50/362919050.db2.gz FUCOXCBJVYKHKJ-URLYPYJESA-N 1 0 215.406 3.282 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2CCCC[C@H]2C1 ZINC000251794476 644821952 /nfs/dbraw/zinc/82/19/52/644821952.db2.gz GAKBEIPLWWTBPY-HTOAHKCRSA-N 1 0 207.361 3.343 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@@H]2C1 ZINC000251794480 643377720 /nfs/dbraw/zinc/37/77/20/643377720.db2.gz GAKBEIPLWWTBPY-KSTCHIGDSA-N 1 0 207.361 3.343 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2CCCC[C@H]2C1 ZINC000251794484 644822390 /nfs/dbraw/zinc/82/23/90/644822390.db2.gz GAKBEIPLWWTBPY-RGDJUOJXSA-N 1 0 207.361 3.343 10 0 BGAERO C[C@H]1C[C@H]([NH2+]Cc2ccc(O)cc2)C[C@@H](C)C1 ZINC000251795861 135078146 /nfs/dbraw/zinc/07/81/46/135078146.db2.gz GCSVBSZENDMYNH-IMRBUKKESA-N 1 0 233.355 3.307 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C[C@@H]1C ZINC000251852494 349192422 /nfs/dbraw/zinc/19/24/22/349192422.db2.gz PDEBUFUKKMDZSZ-GZBLMMOJSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C[C@H]1C ZINC000251852496 349192379 /nfs/dbraw/zinc/19/23/79/349192379.db2.gz PDEBUFUKKMDZSZ-UXXRCYHCSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CC[C@]([NH3+])(c2ccsc2)C[C@H]1C ZINC000251856869 362954546 /nfs/dbraw/zinc/95/45/46/362954546.db2.gz PMXLXYWSGDBDDN-CKYFFXLPSA-N 1 0 209.358 3.358 10 0 BGAERO C[C@@H]1CC[C@@]([NH3+])(c2ccsc2)C[C@H]1C ZINC000251856873 362953804 /nfs/dbraw/zinc/95/38/04/362953804.db2.gz PMXLXYWSGDBDDN-FOGDFJRCSA-N 1 0 209.358 3.358 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[C@H]2O)CC1 ZINC000251861390 487804464 /nfs/dbraw/zinc/80/44/64/487804464.db2.gz SVNQISNMVIDGJN-APIJFGDWSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCN(CC)C1 ZINC000251864913 384918867 /nfs/dbraw/zinc/91/88/67/384918867.db2.gz OXOPOICLJYZJIQ-KKUMJFAQSA-N 1 0 240.435 3.275 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+][C@H]1CCCN(CC)C1 ZINC000251864914 384919134 /nfs/dbraw/zinc/91/91/34/384919134.db2.gz OXOPOICLJYZJIQ-ZNMIVQPWSA-N 1 0 240.435 3.275 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000251893464 487535769 /nfs/dbraw/zinc/53/57/69/487535769.db2.gz WEXLGNQCAWMVHC-CRWXNKLISA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000251893467 487805521 /nfs/dbraw/zinc/80/55/21/487805521.db2.gz WEXLGNQCAWMVHC-MQYQWHSLSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000251893470 487805671 /nfs/dbraw/zinc/80/56/71/487805671.db2.gz WEXLGNQCAWMVHC-RFQIPJPRSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(CC)C2)C1 ZINC000251899849 135080147 /nfs/dbraw/zinc/08/01/47/135080147.db2.gz WSPNNYWBOWJRGE-ILXRZTDVSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(CC)C2)C1 ZINC000251899852 135080124 /nfs/dbraw/zinc/08/01/24/135080124.db2.gz WSPNNYWBOWJRGE-KFWWJZLASA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC1 ZINC000251909020 488149781 /nfs/dbraw/zinc/14/97/81/488149781.db2.gz XOAQIGAALQPUQJ-CBBWQLFWSA-N 1 0 239.403 3.238 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC1 ZINC000251909022 487806946 /nfs/dbraw/zinc/80/69/46/487806946.db2.gz XOAQIGAALQPUQJ-QPSCCSFWSA-N 1 0 239.403 3.238 10 0 BGAERO C[C@@H]1CC[C@@H](SCC(C)(C)[NH3+])C[C@H]1C ZINC000251925664 362987904 /nfs/dbraw/zinc/98/79/04/362987904.db2.gz UXOIXNWUORAPLA-GMTAPVOTSA-N 1 0 215.406 3.282 10 0 BGAERO C[C@@H]1CC[C@H](SCC(C)(C)[NH3+])C[C@H]1C ZINC000251925665 362986985 /nfs/dbraw/zinc/98/69/85/362986985.db2.gz UXOIXNWUORAPLA-MXWKQRLJSA-N 1 0 215.406 3.282 10 0 BGAERO C[C@@H]1CCC[C@@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000251927891 135081430 /nfs/dbraw/zinc/08/14/30/135081430.db2.gz VCGRIPWRTKLBSN-BZPMIXESSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+][C@H]2COc3ccccc32)C1 ZINC000251927892 135081037 /nfs/dbraw/zinc/08/10/37/135081037.db2.gz VCGRIPWRTKLBSN-DYEKYZERSA-N 1 0 231.339 3.288 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000251952131 135081906 /nfs/dbraw/zinc/08/19/06/135081906.db2.gz WYBPFEGXHRYJHE-KNPMLCFXSA-N 1 0 245.366 3.392 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000251952134 135080972 /nfs/dbraw/zinc/08/09/72/135080972.db2.gz WYBPFEGXHRYJHE-KOZAUXTDSA-N 1 0 245.366 3.392 10 0 BGAERO C[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@@H](C)c2ccccc21 ZINC000251952137 135081197 /nfs/dbraw/zinc/08/11/97/135081197.db2.gz WYBPFEGXHRYJHE-MPTQWLOMSA-N 1 0 245.366 3.392 10 0 BGAERO C[C@H](N)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000252001862 135088125 /nfs/dbraw/zinc/08/81/25/135088125.db2.gz ZZMNVUIDLAJNLC-CBBWQLFWSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000252001864 135087969 /nfs/dbraw/zinc/08/79/69/135087969.db2.gz ZZMNVUIDLAJNLC-KBXIAJHMSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@H](N)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](C)C1 ZINC000252001867 135088121 /nfs/dbraw/zinc/08/81/21/135088121.db2.gz ZZMNVUIDLAJNLC-QPSCCSFWSA-N 1 0 238.419 3.014 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252101099 411397590 /nfs/dbraw/zinc/39/75/90/411397590.db2.gz IKCWNDNFPDTPLH-DVVUODLYSA-N 1 0 207.342 3.124 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2sccc21 ZINC000252101101 411397531 /nfs/dbraw/zinc/39/75/31/411397531.db2.gz IKCWNDNFPDTPLH-MIMYLULJSA-N 1 0 207.342 3.124 10 0 BGAERO C[C@@H]1CCC[N@H+](CC2CCCCCC2)[C@H]1CN ZINC000252113103 136272510 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135083483 /nfs/dbraw/zinc/08/34/83/135083483.db2.gz KOZSDCWWVLLRMH-BYCMXARLSA-N 1 0 215.340 3.452 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000252119119 135083211 /nfs/dbraw/zinc/08/32/11/135083211.db2.gz KOZSDCWWVLLRMH-UGFHNGPFSA-N 1 0 215.340 3.452 10 0 BGAERO C[C@@H]1CCC[C@]2([NH2+]C(C)(C)CS2)[C@H]1C ZINC000252139005 388603953 /nfs/dbraw/zinc/60/39/53/388603953.db2.gz LXRNHWIYDIMKHO-JFGNBEQYSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1CCC[C@@]2([NH2+]C(C)(C)CS2)[C@H]1C ZINC000252139006 388603359 /nfs/dbraw/zinc/60/33/59/388603359.db2.gz LXRNHWIYDIMKHO-SCVCMEIPSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)C[C@@H](C)C1 ZINC000252140362 349196843 /nfs/dbraw/zinc/19/68/43/349196843.db2.gz NDDANHTXITXERE-GZBLMMOJSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000252156350 538083867 /nfs/dbraw/zinc/08/38/67/538083867.db2.gz PEOIKDQCKDBYBN-RFGFWPKPSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CC(C)(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000252156352 538083925 /nfs/dbraw/zinc/08/39/25/538083925.db2.gz PEOIKDQCKDBYBN-RQJABVFESA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)[C@@H](C)C1 ZINC000252162203 349196931 /nfs/dbraw/zinc/19/69/31/349196931.db2.gz PZGBNDQUBTVTMN-GZBLMMOJSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)[C@H](C)C1 ZINC000252162205 349196696 /nfs/dbraw/zinc/19/66/96/349196696.db2.gz PZGBNDQUBTVTMN-UXXRCYHCSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1C[NH2+][C@]2(C[C@H](C)CC(C)(C)C2)S1 ZINC000252190064 363205943 /nfs/dbraw/zinc/20/59/43/363205943.db2.gz UUXCXAXANJUECL-CKYFFXLPSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1C[NH2+][C@@]2(C[C@H](C)CC(C)(C)C2)S1 ZINC000252190065 363206487 /nfs/dbraw/zinc/20/64/87/363206487.db2.gz UUXCXAXANJUECL-FOGDFJRCSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@H](CCc1ccccc1)[NH2+][C@H]1C[C@H]1C ZINC000252208919 388651094 /nfs/dbraw/zinc/65/10/94/388651094.db2.gz XQZZSAYZGYTXJV-BZPMIXESSA-N 1 0 203.329 3.006 10 0 BGAERO C[C@H](CCc1ccccc1)[NH2+][C@@H]1C[C@H]1C ZINC000252208920 388651240 /nfs/dbraw/zinc/65/12/40/388651240.db2.gz XQZZSAYZGYTXJV-YRGRVCCFSA-N 1 0 203.329 3.006 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000252209537 322872094 /nfs/dbraw/zinc/87/20/94/322872094.db2.gz XUKOSSHDJMKHTP-BFHYXJOUSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000252209538 384918218 /nfs/dbraw/zinc/91/82/18/384918218.db2.gz XUKOSSHDJMKHTP-MELADBBJSA-N 1 0 241.419 3.198 10 0 BGAERO C[C@@H]1C[NH2+]C2(C[C@@H](C)C[C@H](C)C2)SC1 ZINC000252214326 350910574 /nfs/dbraw/zinc/91/05/74/350910574.db2.gz YVUSYRVJAPHJFM-GARJFASQSA-N 1 0 213.390 3.111 10 0 BGAERO C[C@@H]1C[NH2+][C@@]2(C[C@H](C)C[C@H](C)C2)SC1 ZINC000252214327 363220376 /nfs/dbraw/zinc/22/03/76/363220376.db2.gz YVUSYRVJAPHJFM-KXNHARMFSA-N 1 0 213.390 3.111 10 0 BGAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]C[C@H](C)CS2 ZINC000252214328 363220366 /nfs/dbraw/zinc/22/03/66/363220366.db2.gz YVUSYRVJAPHJFM-WHOHXGKFSA-N 1 0 213.390 3.111 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@H]1CCC(C)(C)C[C@H]1C ZINC000252218510 325686032 /nfs/dbraw/zinc/68/60/32/325686032.db2.gz ZTIPIDOKVSEXFF-MCIONIFRSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CCC(C)(C)C[C@H]1C ZINC000252218511 325685921 /nfs/dbraw/zinc/68/59/21/325685921.db2.gz ZTIPIDOKVSEXFF-MGPQQGTHSA-N 1 0 241.419 3.198 10 0 BGAERO C[C@@H]1CCC[C@H]1[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000252220000 135088081 /nfs/dbraw/zinc/08/80/81/135088081.db2.gz YUBJCQMQNCDPBO-FVQBIDKESA-N 1 0 246.398 3.068 10 0 BGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000252220001 135088141 /nfs/dbraw/zinc/08/81/41/135088141.db2.gz YUBJCQMQNCDPBO-VNQPRFMTSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@@H]1C[C@H](O[C@H]2CCC[C@@H]2[NH3+])CC(C)(C)C1 ZINC000252338791 363229071 /nfs/dbraw/zinc/22/90/71/363229071.db2.gz BZIYGBZOQGDKNR-VOAKCMCISA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1C[C@H](O[C@H]2CCC[C@H]2[NH3+])CC(C)(C)C1 ZINC000252338793 363229074 /nfs/dbraw/zinc/22/90/74/363229074.db2.gz BZIYGBZOQGDKNR-XQHKEYJVSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1C[C@H](O[C@@H]2CCC[C@H]2[NH3+])CC(C)(C)C1 ZINC000252338795 363229060 /nfs/dbraw/zinc/22/90/60/363229060.db2.gz BZIYGBZOQGDKNR-YVECIDJPSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1CCCC[C@@H]1OCC[C@H]1CCCC[NH2+]1 ZINC000252339053 363229148 /nfs/dbraw/zinc/22/91/48/363229148.db2.gz JKWCZVGINNNXDO-MCIONIFRSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@H]1CCCC[C@H]1OCC[C@H]1CCCC[NH2+]1 ZINC000252339054 363229373 /nfs/dbraw/zinc/22/93/73/363229373.db2.gz JKWCZVGINNNXDO-MGPQQGTHSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000252339081 363229217 /nfs/dbraw/zinc/22/92/17/363229217.db2.gz MGEJSRJZHXJFFP-RFGFWPKPSA-N 1 0 225.376 3.242 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@H]2CCCCC[C@H]2[NH3+])C1 ZINC000252339082 363229160 /nfs/dbraw/zinc/22/91/60/363229160.db2.gz MGEJSRJZHXJFFP-RQJABVFESA-N 1 0 225.376 3.242 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@@H]2CCCCC[C@H]2[NH3+])C1 ZINC000252339083 363229318 /nfs/dbraw/zinc/22/93/18/363229318.db2.gz MGEJSRJZHXJFFP-XJFOESAGSA-N 1 0 225.376 3.242 10 0 BGAERO C[C@@H]1CCC[C@H](O[C@@H]2C[C@@H](C)CC[C@H]2[NH3+])C1 ZINC000252339246 350910569 /nfs/dbraw/zinc/91/05/69/350910569.db2.gz ULHMOODOKDYYEJ-MBJXGIAVSA-N 1 0 225.376 3.098 10 0 BGAERO C[C@@H]1CC[C@@H]([NH3+])[C@H](O[C@H]2CCC[C@@H](C)C2)C1 ZINC000252339247 350909979 /nfs/dbraw/zinc/90/99/79/350909979.db2.gz ULHMOODOKDYYEJ-RKQHYHRCSA-N 1 0 225.376 3.098 10 0 BGAERO CCOCC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252418553 384922238 /nfs/dbraw/zinc/92/22/38/384922238.db2.gz VNHHZHGBZDFERY-HZSPNIEDSA-N 1 0 227.392 3.073 10 0 BGAERO CCOCC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000252418554 384922218 /nfs/dbraw/zinc/92/22/18/384922218.db2.gz VNHHZHGBZDFERY-MELADBBJSA-N 1 0 227.392 3.073 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC(C)(C)C1 ZINC000252428924 359311791 /nfs/dbraw/zinc/31/17/91/359311791.db2.gz IXFNYDTZZXKVNE-RFGFWPKPSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC(C)(C)C1 ZINC000252428925 359311730 /nfs/dbraw/zinc/31/17/30/359311730.db2.gz IXFNYDTZZXKVNE-ZOBORPQBSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCCC[C@H]1C ZINC000252429014 384921798 /nfs/dbraw/zinc/92/17/98/384921798.db2.gz MLAGVNPWQPSPCO-KFWWJZLASA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCCC[C@H]1C ZINC000252429015 384922226 /nfs/dbraw/zinc/92/22/26/384922226.db2.gz MLAGVNPWQPSPCO-RBSFLKMASA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@@H]1CCC[C@H](C)C1 ZINC000252429066 384921603 /nfs/dbraw/zinc/92/16/03/384921603.db2.gz OOQQBNCGMBVRJB-RRFJBIMHSA-N 1 0 240.435 3.131 10 0 BGAERO CC(C)C[C@H](CN(C)C)[NH2+][C@H]1CCC[C@H](C)C1 ZINC000252429067 384921210 /nfs/dbraw/zinc/92/12/10/384921210.db2.gz OOQQBNCGMBVRJB-SOUVJXGZSA-N 1 0 240.435 3.131 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000252429193 538087846 /nfs/dbraw/zinc/08/78/46/538087846.db2.gz WCBUJFQEFCMKFP-XDQVBPFNSA-N 1 0 227.392 3.094 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000252429194 538087745 /nfs/dbraw/zinc/08/77/45/538087745.db2.gz WCBUJFQEFCMKFP-XUXIUFHCSA-N 1 0 227.392 3.094 10 0 BGAERO C[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCCCC[C@H]1O ZINC000252430599 349190236 /nfs/dbraw/zinc/19/02/36/349190236.db2.gz ZSFMGQDTYWIQBD-KBUPBQIOSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCCO2)CC(C)(C)C1 ZINC000252431224 487823967 /nfs/dbraw/zinc/82/39/67/487823967.db2.gz FEXJUVOYJLTJBI-HZSPNIEDSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCCO2)CC(C)(C)C1 ZINC000252431225 487823905 /nfs/dbraw/zinc/82/39/05/487823905.db2.gz FEXJUVOYJLTJBI-MGPQQGTHSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)[C@H]1C ZINC000252450537 349202816 /nfs/dbraw/zinc/20/28/16/349202816.db2.gz NTWNSGFPXVDCMS-GZBLMMOJSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCC[C@H]2O)[C@@H]1C ZINC000252450538 349202446 /nfs/dbraw/zinc/20/24/46/349202446.db2.gz NTWNSGFPXVDCMS-UXXRCYHCSA-N 1 0 239.403 3.094 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+]CC[C@H]1CCCO1 ZINC000252458240 584011912 /nfs/dbraw/zinc/01/19/12/584011912.db2.gz UFQLCOMKKDRWIN-BFHYXJOUSA-N 1 0 227.392 3.360 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+]CC[C@H]1CCCO1 ZINC000252458241 584011886 /nfs/dbraw/zinc/01/18/86/584011886.db2.gz UFQLCOMKKDRWIN-MELADBBJSA-N 1 0 227.392 3.360 10 0 BGAERO C[NH2+][C@@H]1C[C@H](C)C[C@@H](C)[C@H]1SC(C)C ZINC000252472279 363305595 /nfs/dbraw/zinc/30/55/95/363305595.db2.gz NSFLAPYRPJWEEX-DDHJBXDOSA-N 1 0 215.406 3.151 10 0 BGAERO C[NH2+][C@@H]1C[C@H](C)C[C@H](C)[C@H]1SC(C)C ZINC000252472280 363305724 /nfs/dbraw/zinc/30/57/24/363305724.db2.gz NSFLAPYRPJWEEX-WRWGMCAJSA-N 1 0 215.406 3.151 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)cc2)[C@H]1C ZINC000252493022 363444033 /nfs/dbraw/zinc/44/40/33/363444033.db2.gz GKNJKHATDJXOEK-GGZOMVNGSA-N 1 0 209.720 3.051 10 0 BGAERO C[NH2+][C@@H]1C[C@H](c2ccc(Cl)cc2)[C@H]1C ZINC000252493023 363443964 /nfs/dbraw/zinc/44/39/64/363443964.db2.gz GKNJKHATDJXOEK-JFUSQASVSA-N 1 0 209.720 3.051 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](c2ccc(Cl)s2)[C@H]1C ZINC000252493803 363446004 /nfs/dbraw/zinc/44/60/04/363446004.db2.gz YEAZAAGGZSRDSM-BWZBUEFSSA-N 1 0 215.749 3.113 10 0 BGAERO C[NH2+][C@@H]1C[C@H](c2ccc(Cl)s2)[C@H]1C ZINC000252493804 363446233 /nfs/dbraw/zinc/44/62/33/363446233.db2.gz YEAZAAGGZSRDSM-GJMOJQLCSA-N 1 0 215.749 3.113 10 0 BGAERO C[C@H]1[C@H]([NH3+])[C@@H](C)[C@@H]1c1ccc(Cl)cc1 ZINC000252493818 363445981 /nfs/dbraw/zinc/44/59/81/363445981.db2.gz YKQPXZVCRPBKJQ-ZTCHHREXSA-N 1 0 209.720 3.037 10 0 BGAERO C[C@H]1[C@H](C)Sc2ccc(Cl)cc2[C@H]1[NH3+] ZINC000252591689 363953557 /nfs/dbraw/zinc/95/35/57/363953557.db2.gz DRBBDSGAUMMTKZ-HFJPGXAFSA-N 1 0 227.760 3.470 10 0 BGAERO C[C@H]1[C@H](C)Sc2c(Cl)cccc2[C@H]1[NH3+] ZINC000252606962 350913280 /nfs/dbraw/zinc/91/32/80/350913280.db2.gz QZKGBSXEYUWACM-BYULHYEWSA-N 1 0 227.760 3.470 10 0 BGAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1c1ccc(Cl)s1 ZINC000252625787 364325746 /nfs/dbraw/zinc/32/57/46/364325746.db2.gz OIECFQRUCPOWSY-XLPZGREQSA-N 1 0 215.749 3.242 10 0 BGAERO CCCCCCN1C[C@@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661129 644874065 /nfs/dbraw/zinc/87/40/65/644874065.db2.gz OMEDJHUUPSKVQU-CABCVRRESA-N 1 0 238.419 3.125 10 0 BGAERO CCCCCCN1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000252661130 644873950 /nfs/dbraw/zinc/87/39/50/644873950.db2.gz OMEDJHUUPSKVQU-HUUCEWRRSA-N 1 0 238.419 3.125 10 0 BGAERO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)n1 ZINC000252661926 135094776 /nfs/dbraw/zinc/09/47/76/135094776.db2.gz RPMCEGSCLXZMBP-PJXYFTJBSA-N 1 0 248.370 3.010 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1C ZINC000252683351 178896617 /nfs/dbraw/zinc/89/66/17/178896617.db2.gz DMPPKCQSMPUIQO-KCQAQPDRSA-N 1 0 233.355 3.131 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1C ZINC000252683352 387236737 /nfs/dbraw/zinc/23/67/37/387236737.db2.gz DMPPKCQSMPUIQO-YDHLFZDLSA-N 1 0 233.355 3.131 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccc(F)cc1 ZINC000252685494 387235923 /nfs/dbraw/zinc/23/59/23/387235923.db2.gz IEMTVHYUARRJSG-BPNCWPANSA-N 1 0 237.318 3.044 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccc(F)cc1 ZINC000252685495 387236090 /nfs/dbraw/zinc/23/60/90/387236090.db2.gz IEMTVHYUARRJSG-LEWSCRJBSA-N 1 0 237.318 3.044 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c(C)c1 ZINC000252686598 385657949 /nfs/dbraw/zinc/65/79/49/385657949.db2.gz JXMSPSXFSFQOFE-KCQAQPDRSA-N 1 0 233.355 3.131 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c(C)c1 ZINC000252686599 385657331 /nfs/dbraw/zinc/65/73/31/385657331.db2.gz JXMSPSXFSFQOFE-YDHLFZDLSA-N 1 0 233.355 3.131 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000252689318 135097166 /nfs/dbraw/zinc/09/71/66/135097166.db2.gz QVINRMPUEUPELV-KCQAQPDRSA-N 1 0 233.355 3.131 10 0 BGAERO Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000252689319 135096754 /nfs/dbraw/zinc/09/67/54/135096754.db2.gz QVINRMPUEUPELV-YDHLFZDLSA-N 1 0 233.355 3.131 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000252689425 325690288 /nfs/dbraw/zinc/69/02/88/325690288.db2.gz RDMBCOGHCZFRNU-MAZHCROVSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCCc2ccccc21 ZINC000252689426 325690206 /nfs/dbraw/zinc/69/02/06/325690206.db2.gz RDMBCOGHCZFRNU-RCBQFDQVSA-N 1 0 245.366 3.221 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@@H]2CCO[C@H]2C)cc1 ZINC000252690101 325690366 /nfs/dbraw/zinc/69/03/66/325690366.db2.gz TXZYYFIDDRWVKB-HEHGZKQESA-N 1 0 247.382 3.467 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@H]2CCO[C@H]2C)cc1 ZINC000252690102 325690318 /nfs/dbraw/zinc/69/03/18/325690318.db2.gz TXZYYFIDDRWVKB-XEZPLFJOSA-N 1 0 247.382 3.467 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000252702683 535824641 /nfs/dbraw/zinc/82/46/41/535824641.db2.gz IIICNXMDYRIJTK-AGIUHOORSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCOC(C)(C)C2)C1 ZINC000252702684 135098704 /nfs/dbraw/zinc/09/87/04/135098704.db2.gz IIICNXMDYRIJTK-UPJWGTAASA-N 1 0 225.376 3.112 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC(C)(C)C1 ZINC000252706417 325690816 /nfs/dbraw/zinc/69/08/16/325690816.db2.gz UAQRSXRGLFNLNT-AAVRWANBSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC(C)(C)C1 ZINC000252706420 385173317 /nfs/dbraw/zinc/17/33/17/385173317.db2.gz UAQRSXRGLFNLNT-YIYPIFLZSA-N 1 0 239.403 3.094 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H](C)CC(C)(C)OC)C1 ZINC000252708490 135098458 /nfs/dbraw/zinc/09/84/58/135098458.db2.gz AFFQVMXNJNHUHG-JHJVBQTASA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@H](C)CC(C)(C)OC)C1 ZINC000252708491 135098382 /nfs/dbraw/zinc/09/83/82/135098382.db2.gz AFFQVMXNJNHUHG-UPJWGTAASA-N 1 0 227.392 3.358 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000252708990 323141628 /nfs/dbraw/zinc/14/16/28/323141628.db2.gz BQXAGKMFEYERCN-MELADBBJSA-N 1 0 225.376 3.014 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(OC)c1 ZINC000252709537 135099133 /nfs/dbraw/zinc/09/91/33/135099133.db2.gz DDXIUPFADOKBDV-DDTOSNHZSA-N 1 0 219.328 3.144 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(OC)c1 ZINC000252709538 135099835 /nfs/dbraw/zinc/09/98/35/135099835.db2.gz DDXIUPFADOKBDV-SWHYSGLUSA-N 1 0 219.328 3.144 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000252709634 385187129 /nfs/dbraw/zinc/18/71/29/385187129.db2.gz DKDMRHJFVDONBU-FQUUOJAGSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000252709635 322943076 /nfs/dbraw/zinc/94/30/76/322943076.db2.gz DKDMRHJFVDONBU-IGQOVBAYSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000252709636 385186548 /nfs/dbraw/zinc/18/65/48/385186548.db2.gz DKDMRHJFVDONBU-XUXIUFHCSA-N 1 0 227.392 3.072 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000252711071 537980464 /nfs/dbraw/zinc/98/04/64/537980464.db2.gz ILZDSBODQAOVKS-JCOFBHIZSA-N 1 0 221.731 3.325 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2c1cccc2Cl ZINC000252711072 538099828 /nfs/dbraw/zinc/09/98/28/538099828.db2.gz ILZDSBODQAOVKS-OXHMUOHRSA-N 1 0 221.731 3.325 10 0 BGAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000252711223 325691128 /nfs/dbraw/zinc/69/11/28/325691128.db2.gz IXGWNWKNLDFWJA-AGIUHOORSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000252711224 388771124 /nfs/dbraw/zinc/77/11/24/388771124.db2.gz IXGWNWKNLDFWJA-FRRDWIJNSA-N 1 0 227.417 3.440 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]1CCOC1 ZINC000252711233 135099453 /nfs/dbraw/zinc/09/94/53/135099453.db2.gz IXUHKAGRJADYON-MQYQWHSLSA-N 1 0 239.403 3.216 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)[C@H]1CCOC1 ZINC000252711234 135099429 /nfs/dbraw/zinc/09/94/29/135099429.db2.gz IXUHKAGRJADYON-RFGFWPKPSA-N 1 0 239.403 3.216 10 0 BGAERO CCCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000252711487 644887646 /nfs/dbraw/zinc/88/76/46/644887646.db2.gz JQWPKMYGSHRWRW-IHRRRGAJSA-N 1 0 227.392 3.096 10 0 BGAERO CCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000252711488 644885857 /nfs/dbraw/zinc/88/58/57/644885857.db2.gz JQWPKMYGSHRWRW-MELADBBJSA-N 1 0 227.392 3.096 10 0 BGAERO CC[C@H](CCO)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000252712018 388773876 /nfs/dbraw/zinc/77/38/76/388773876.db2.gz LGFYZYVFKLZKBR-MCIONIFRSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H](CCO)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000252712019 388773873 /nfs/dbraw/zinc/77/38/73/388773873.db2.gz LGFYZYVFKLZKBR-MGPQQGTHSA-N 1 0 241.419 3.342 10 0 BGAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000252712524 322943502 /nfs/dbraw/zinc/94/35/02/322943502.db2.gz MQTNWCPCOBRZIQ-AGIUHOORSA-N 1 0 227.392 3.072 10 0 BGAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)C(C)(C)C ZINC000252712525 385212787 /nfs/dbraw/zinc/21/27/87/385212787.db2.gz MQTNWCPCOBRZIQ-UPJWGTAASA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@H](O)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252712682 388773306 /nfs/dbraw/zinc/77/33/06/388773306.db2.gz NBQGSCFJFRWKHY-CBBWQLFWSA-N 1 0 241.419 3.198 10 0 BGAERO CC[C@H](O)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000252712683 325691971 /nfs/dbraw/zinc/69/19/71/325691971.db2.gz NBQGSCFJFRWKHY-ZQDZILKHSA-N 1 0 241.419 3.198 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCO[C@H]1C(C)C)C(C)C ZINC000252712857 388774110 /nfs/dbraw/zinc/77/41/10/388774110.db2.gz NOYYTNJIXUJGME-IHRRRGAJSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCO[C@H]1C(C)C)C(C)C ZINC000252712858 388774131 /nfs/dbraw/zinc/77/41/31/388774131.db2.gz NOYYTNJIXUJGME-RDBSUJKOSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@H](O)CC[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000252713453 325691987 /nfs/dbraw/zinc/69/19/87/325691987.db2.gz PESVGZOTTBBQPH-BFHYXJOUSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H](O)CC[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000252713454 388774167 /nfs/dbraw/zinc/77/41/67/388774167.db2.gz PESVGZOTTBBQPH-MJBXVCDLSA-N 1 0 241.419 3.342 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@H]1CCCC[C@H]1CO ZINC000252714662 325692155 /nfs/dbraw/zinc/69/21/55/325692155.db2.gz SNSGSBIWQZEOGS-IHRRRGAJSA-N 1 0 227.392 3.096 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000252714663 388775564 /nfs/dbraw/zinc/77/55/64/388775564.db2.gz SNSGSBIWQZEOGS-MELADBBJSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCOC1 ZINC000252714876 349205252 /nfs/dbraw/zinc/20/52/52/349205252.db2.gz TZBKZTWDALJCKE-HZSPNIEDSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCOC1 ZINC000252714877 349205474 /nfs/dbraw/zinc/20/54/74/349205474.db2.gz TZBKZTWDALJCKE-RDBSUJKOSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@H](C)[C@@H](CC)[NH2+]CC[C@H]1CCCO1 ZINC000252715444 538100655 /nfs/dbraw/zinc/10/06/55/538100655.db2.gz VOZRDCMRSRQYNA-BFHYXJOUSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+]CC[C@H]1CCCO1 ZINC000252715445 538100677 /nfs/dbraw/zinc/10/06/77/538100677.db2.gz VOZRDCMRSRQYNA-MJBXVCDLSA-N 1 0 227.392 3.360 10 0 BGAERO CCOc1cccc([C@H](C)[NH2+][C@H]2C[C@H]2C)c1 ZINC000252715686 644889703 /nfs/dbraw/zinc/88/97/03/644889703.db2.gz WJTYWQJFLPEKJL-SUNKGSAMSA-N 1 0 219.328 3.144 10 0 BGAERO CCOc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C)c1 ZINC000252715687 644890201 /nfs/dbraw/zinc/89/02/01/644890201.db2.gz WJTYWQJFLPEKJL-UHIISALHSA-N 1 0 219.328 3.144 10 0 BGAERO CC[C@H](CCO)[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252716233 325692425 /nfs/dbraw/zinc/69/24/25/325692425.db2.gz XYWRHEOIOJDMDS-APIJFGDWSA-N 1 0 241.419 3.198 10 0 BGAERO CC[C@H](CCO)[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000252716234 325692579 /nfs/dbraw/zinc/69/25/79/325692579.db2.gz XYWRHEOIOJDMDS-LJISPDSOSA-N 1 0 241.419 3.198 10 0 BGAERO CCC[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252717122 325692805 /nfs/dbraw/zinc/69/28/05/325692805.db2.gz ZUXKEQAWBIWYBV-CBBWQLFWSA-N 1 0 241.419 3.198 10 0 BGAERO CCC[C@H](O)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000252717124 325692710 /nfs/dbraw/zinc/69/27/10/325692710.db2.gz ZUXKEQAWBIWYBV-ZQDZILKHSA-N 1 0 241.419 3.198 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000252726809 325692962 /nfs/dbraw/zinc/69/29/62/325692962.db2.gz APSFLPIGGFOLKK-JCOFBHIZSA-N 1 0 221.731 3.325 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccc(Cl)cc21 ZINC000252726810 388776456 /nfs/dbraw/zinc/77/64/56/388776456.db2.gz APSFLPIGGFOLKK-OXHMUOHRSA-N 1 0 221.731 3.325 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(F)cn1 ZINC000252728522 385656528 /nfs/dbraw/zinc/65/65/28/385656528.db2.gz BSOQCCKRDGBTTB-BREBYQMCSA-N 1 0 222.307 3.060 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(F)cn1 ZINC000252728523 385657766 /nfs/dbraw/zinc/65/77/66/385657766.db2.gz BSOQCCKRDGBTTB-GIPNMCIBSA-N 1 0 222.307 3.060 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000252728600 385234602 /nfs/dbraw/zinc/23/46/02/385234602.db2.gz CAYKXNGSRVSJJT-IJLUTSLNSA-N 1 0 207.317 3.427 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000252728601 385235332 /nfs/dbraw/zinc/23/53/32/385235332.db2.gz CAYKXNGSRVSJJT-UTUOFQBUSA-N 1 0 207.317 3.427 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1cccs1 ZINC000252729293 538101293 /nfs/dbraw/zinc/10/12/93/538101293.db2.gz GBCYGUPKOKCHGY-NQBHXWOUSA-N 1 0 223.385 3.457 10 0 BGAERO C[C@H](CCC1CCCC1)[NH2+][C@H]1CCO[C@H]1C ZINC000252729378 135103438 /nfs/dbraw/zinc/10/34/38/135103438.db2.gz GMUAWKVYPOIQID-DYEKYZERSA-N 1 0 225.376 3.112 10 0 BGAERO C[C@H](CCC1CCCC1)[NH2+][C@@H]1CCO[C@H]1C ZINC000252729379 135103557 /nfs/dbraw/zinc/10/35/57/135103557.db2.gz GMUAWKVYPOIQID-MBNYWOFBSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cnc(C)s1 ZINC000252730150 636885416 /nfs/dbraw/zinc/88/54/16/636885416.db2.gz KAQUGLVNSSSZKC-FBIMIBRVSA-N 1 0 224.373 3.291 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cnc(C)s1 ZINC000252730151 636884998 /nfs/dbraw/zinc/88/49/98/636884998.db2.gz KAQUGLVNSSSZKC-IEBDPFPHSA-N 1 0 224.373 3.291 10 0 BGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@H]1C[C@H]1C ZINC000252730299 388776194 /nfs/dbraw/zinc/77/61/94/388776194.db2.gz KSMIQNBLPOTSGS-BREBYQMCSA-N 1 0 223.747 3.269 10 0 BGAERO C[C@H](Cc1ccc(Cl)cc1)[NH2+][C@@H]1C[C@H]1C ZINC000252730300 325693305 /nfs/dbraw/zinc/69/33/05/325693305.db2.gz KSMIQNBLPOTSGS-GIPNMCIBSA-N 1 0 223.747 3.269 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1ccsc1 ZINC000252730519 349205597 /nfs/dbraw/zinc/20/55/97/349205597.db2.gz LSCSBROPSFIQFA-RAIGVLPGSA-N 1 0 223.385 3.457 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000252730915 388776371 /nfs/dbraw/zinc/77/63/71/388776371.db2.gz NKXKDUDLSXSBJW-UTUOFQBUSA-N 1 0 225.376 3.111 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000252730916 325693509 /nfs/dbraw/zinc/69/35/09/325693509.db2.gz NKXKDUDLSXSBJW-WOPDTQHZSA-N 1 0 225.376 3.111 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cnccc1C ZINC000252731134 385656924 /nfs/dbraw/zinc/65/69/24/385656924.db2.gz OKXIPJVPRAOBTC-BZPMIXESSA-N 1 0 218.344 3.229 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cnccc1C ZINC000252731135 385657636 /nfs/dbraw/zinc/65/76/36/385657636.db2.gz OKXIPJVPRAOBTC-YRGRVCCFSA-N 1 0 218.344 3.229 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000252732281 385290282 /nfs/dbraw/zinc/29/02/82/385290282.db2.gz UKFPPJKXTAZKCG-SNPRPXQTSA-N 1 0 215.340 3.452 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000252732282 385288698 /nfs/dbraw/zinc/28/86/98/385288698.db2.gz UKFPPJKXTAZKCG-VHDGCEQUSA-N 1 0 215.340 3.452 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cncc(F)c1 ZINC000252732816 385656950 /nfs/dbraw/zinc/65/69/50/385656950.db2.gz WSPVRNATPBMZSL-BREBYQMCSA-N 1 0 222.307 3.060 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cncc(F)c1 ZINC000252732817 385658047 /nfs/dbraw/zinc/65/80/47/385658047.db2.gz WSPVRNATPBMZSL-GIPNMCIBSA-N 1 0 222.307 3.060 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCc1ccco1 ZINC000252733446 349206008 /nfs/dbraw/zinc/20/60/08/349206008.db2.gz ZJQWXVCUOMTNIS-YRGRVCCFSA-N 1 0 221.344 3.379 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1c2ccccc2CC[C@H]1C ZINC000252733461 537980488 /nfs/dbraw/zinc/98/04/88/537980488.db2.gz ZLYNVZLQEZLTCT-FIXIBIHLSA-N 1 0 215.340 3.308 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1c2ccccc2CC[C@H]1C ZINC000252733462 636884407 /nfs/dbraw/zinc/88/44/07/636884407.db2.gz ZLYNVZLQEZLTCT-HKCMKHECSA-N 1 0 215.340 3.308 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000252739017 135105737 /nfs/dbraw/zinc/10/57/37/135105737.db2.gz GEGTUHINXOIWFY-BIGNPOOSSA-N 1 0 219.303 3.201 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC000252739018 135105591 /nfs/dbraw/zinc/10/55/91/135105591.db2.gz GEGTUHINXOIWFY-IIMNLJJBSA-N 1 0 219.303 3.201 10 0 BGAERO CC[C@](F)(C[NH3+])[C@@H]1CC[C@@H](C)[C@H](C)C1 ZINC000252739079 367902501 /nfs/dbraw/zinc/90/25/01/367902501.db2.gz GNHRCGIIRTUYPW-KKOKHZNYSA-N 1 0 201.329 3.136 10 0 BGAERO CC[C@](F)(C[NH3+])[C@@H]1CC[C@H](C)[C@@H](C)C1 ZINC000252739080 367901445 /nfs/dbraw/zinc/90/14/45/367901445.db2.gz GNHRCGIIRTUYPW-YFKTTZPYSA-N 1 0 201.329 3.136 10 0 BGAERO CCCC[C@H](CC)CC[NH2+][C@H]1CCO[C@H]1C ZINC000252741810 325694625 /nfs/dbraw/zinc/69/46/25/325694625.db2.gz VNEJLYVOEUNJOG-IHRRRGAJSA-N 1 0 227.392 3.360 10 0 BGAERO CCCC[C@H](CC)CC[NH2+][C@@H]1CCO[C@H]1C ZINC000252741813 325694650 /nfs/dbraw/zinc/69/46/50/325694650.db2.gz VNEJLYVOEUNJOG-MELADBBJSA-N 1 0 227.392 3.360 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000252745241 487832630 /nfs/dbraw/zinc/83/26/30/487832630.db2.gz OWKFAXCRLUTFOW-AVGNSLFASA-N 1 0 225.376 3.112 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCC(C)(C)CC1 ZINC000252745242 487832706 /nfs/dbraw/zinc/83/27/06/487832706.db2.gz OWKFAXCRLUTFOW-RWMBFGLXSA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+][C@@H](C)C[C@H](C)O ZINC000252754607 388781233 /nfs/dbraw/zinc/78/12/33/388781233.db2.gz IMZLTGDXACFIRD-CAEXGNQWSA-N 1 0 241.419 3.196 10 0 BGAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+][C@@H](C)C[C@H](C)O ZINC000252754614 388781464 /nfs/dbraw/zinc/78/14/64/388781464.db2.gz IMZLTGDXACFIRD-YYFQZIEXSA-N 1 0 241.419 3.196 10 0 BGAERO CCC[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)CCCO ZINC000252769874 323141759 /nfs/dbraw/zinc/14/17/59/323141759.db2.gz KSQMRHTVWGEXDQ-MCIONIFRSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@@H]1CCCC[C@H]1[NH2+][C@H](C)CCCO ZINC000252769877 325696236 /nfs/dbraw/zinc/69/62/36/325696236.db2.gz KSQMRHTVWGEXDQ-MGPQQGTHSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000252777221 388783095 /nfs/dbraw/zinc/78/30/95/388783095.db2.gz YNJYPIXBAYKXBY-FQUUOJAGSA-N 1 0 241.419 3.340 10 0 BGAERO C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000252777222 388783764 /nfs/dbraw/zinc/78/37/64/388783764.db2.gz YNJYPIXBAYKXBY-IGQOVBAYSA-N 1 0 241.419 3.340 10 0 BGAERO C[C@H](O)C[C@H](C)[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000252777223 325696278 /nfs/dbraw/zinc/69/62/78/325696278.db2.gz YNJYPIXBAYKXBY-XUXIUFHCSA-N 1 0 241.419 3.340 10 0 BGAERO Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C)[C@H](C)C2 ZINC000252785348 325696542 /nfs/dbraw/zinc/69/65/42/325696542.db2.gz UTKCJVJVCWQCJA-YIKOMLBNSA-N 1 0 215.340 3.226 10 0 BGAERO CC(C)[C@H](C)[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000252788389 325696579 /nfs/dbraw/zinc/69/65/79/325696579.db2.gz MIOUTSOQSQDLAO-CFVMTHIKSA-N 1 0 217.356 3.424 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000252793961 135111264 /nfs/dbraw/zinc/11/12/64/135111264.db2.gz YBJONQLNOCXADF-HZSPNIEDSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]CC[C@H]2CCCCO2)C1 ZINC000252793962 135110508 /nfs/dbraw/zinc/11/05/08/135110508.db2.gz YBJONQLNOCXADF-MGPQQGTHSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+]C[C@H](C)c2nccs2)C1 ZINC000252811922 135111794 /nfs/dbraw/zinc/11/17/94/135111794.db2.gz PGBZSHUFRLPNOA-QJPTWQEYSA-N 1 0 238.400 3.415 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+]C[C@H](C)c2nccs2)C1 ZINC000252811923 135111843 /nfs/dbraw/zinc/11/18/43/135111843.db2.gz PGBZSHUFRLPNOA-TUAOUCFPSA-N 1 0 238.400 3.415 10 0 BGAERO CC(C)OCC[NH2+][C@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000252818640 388785172 /nfs/dbraw/zinc/78/51/72/388785172.db2.gz ZYBAPIWMLKVQMD-ILXRZTDVSA-N 1 0 241.419 3.462 10 0 BGAERO CCCC[C@H](CC)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000252847769 388787774 /nfs/dbraw/zinc/78/77/74/388787774.db2.gz DESQELAZDISPBQ-BFHYXJOUSA-N 1 0 227.392 3.238 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000252852922 349219252 /nfs/dbraw/zinc/21/92/52/349219252.db2.gz GKENLPUQULZGFF-BYNSBNAKSA-N 1 0 241.419 3.484 10 0 BGAERO C[C@H](C[NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000252879753 176683253 /nfs/dbraw/zinc/68/32/53/176683253.db2.gz SGBFZECZIWDIEU-FVQBIDKESA-N 1 0 247.382 3.073 10 0 BGAERO CC[C@H](Cc1ccccc1)[NH2+][C@H]1C[C@H]1C ZINC000252894830 388789877 /nfs/dbraw/zinc/78/98/77/388789877.db2.gz WVYFIERVDBLCPV-BNOWGMLFSA-N 1 0 203.329 3.006 10 0 BGAERO CC[C@H](Cc1ccccc1)[NH2+][C@@H]1C[C@H]1C ZINC000252894832 388791615 /nfs/dbraw/zinc/79/16/15/388791615.db2.gz WVYFIERVDBLCPV-MRVWCRGKSA-N 1 0 203.329 3.006 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1c1ccccc1)c1cscn1 ZINC000252960780 636776945 /nfs/dbraw/zinc/77/69/45/636776945.db2.gz UVTTZZKLAJOVSW-DRZSPHRISA-N 1 0 244.363 3.350 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1c1ccccc1)c1cscn1 ZINC000252960781 636778139 /nfs/dbraw/zinc/77/81/39/636778139.db2.gz UVTTZZKLAJOVSW-WCFLWFBJSA-N 1 0 244.363 3.350 10 0 BGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@H]1C[C@H]1C ZINC000253107515 135122332 /nfs/dbraw/zinc/12/23/32/135122332.db2.gz DOSLCLNNXUGYOJ-HLTSFMKQSA-N 1 0 209.255 3.106 10 0 BGAERO C[C@H](CCCC(F)(F)F)[NH2+][C@@H]1C[C@H]1C ZINC000253107516 135122226 /nfs/dbraw/zinc/12/22/26/135122226.db2.gz DOSLCLNNXUGYOJ-IWSPIJDZSA-N 1 0 209.255 3.106 10 0 BGAERO C[C@@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000253177456 325712893 /nfs/dbraw/zinc/71/28/93/325712893.db2.gz BAEIXXKURFQPTE-LPWJVIDDSA-N 1 0 209.377 3.447 10 0 BGAERO C[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000253177457 325713023 /nfs/dbraw/zinc/71/30/23/325713023.db2.gz BAEIXXKURFQPTE-NDBYEHHHSA-N 1 0 209.377 3.447 10 0 BGAERO C[C@H]1C[C@@H]1C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000253177458 388806425 /nfs/dbraw/zinc/80/64/25/388806425.db2.gz BAEIXXKURFQPTE-XQHKEYJVSA-N 1 0 209.377 3.447 10 0 BGAERO CC(C)(C)OC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000253185638 387156519 /nfs/dbraw/zinc/15/65/19/387156519.db2.gz QLOQBYGNOWCIRH-GFCCVEGCSA-N 1 0 249.354 3.054 10 0 BGAERO CC(C)(C)OC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000253185639 387157787 /nfs/dbraw/zinc/15/77/87/387157787.db2.gz QLOQBYGNOWCIRH-LBPRGKRZSA-N 1 0 249.354 3.054 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CCCSC2)C1 ZINC000253195780 135124133 /nfs/dbraw/zinc/12/41/33/135124133.db2.gz RYPRFRJPUUKJFD-UTUOFQBUSA-N 1 0 213.390 3.050 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CCCSC2)C1 ZINC000253195781 535824673 /nfs/dbraw/zinc/82/46/73/535824673.db2.gz RYPRFRJPUUKJFD-WOPDTQHZSA-N 1 0 213.390 3.050 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc(F)c1 ZINC000253250744 387288000 /nfs/dbraw/zinc/28/80/00/387288000.db2.gz WEAAJPPYROIMAX-BPNCWPANSA-N 1 0 237.318 3.044 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc(F)c1 ZINC000253250746 387287738 /nfs/dbraw/zinc/28/77/38/387287738.db2.gz WEAAJPPYROIMAX-LEWSCRJBSA-N 1 0 237.318 3.044 10 0 BGAERO c1csc([C@@H]2CC[C@H](c3ccncc3)[NH2+]C2)c1 ZINC000253533315 385682235 /nfs/dbraw/zinc/68/22/35/385682235.db2.gz MZAJPZJWMHBAMG-CHWSQXEVSA-N 1 0 244.363 3.351 10 0 BGAERO c1csc([C@@H]2CC[C@@H](c3ccncc3)[NH2+]C2)c1 ZINC000253533316 385682117 /nfs/dbraw/zinc/68/21/17/385682117.db2.gz MZAJPZJWMHBAMG-OLZOCXBDSA-N 1 0 244.363 3.351 10 0 BGAERO c1csc([C@H]2CC[C@H](c3ccncc3)[NH2+]C2)c1 ZINC000253533318 183523920 /nfs/dbraw/zinc/52/39/20/183523920.db2.gz MZAJPZJWMHBAMG-QWHCGFSZSA-N 1 0 244.363 3.351 10 0 BGAERO c1csc([C@H]2CC[C@@H](c3ccncc3)[NH2+]C2)c1 ZINC000253533323 385681617 /nfs/dbraw/zinc/68/16/17/385681617.db2.gz MZAJPZJWMHBAMG-STQMWFEESA-N 1 0 244.363 3.351 10 0 BGAERO c1ccc2c(c1)NC[C@@H]1C[N@@H+](C3CCCC3)C[C@@H]21 ZINC000253597037 324192161 /nfs/dbraw/zinc/19/21/61/324192161.db2.gz ZFLBSCNSXDOBSV-IUODEOHRSA-N 1 0 242.366 3.070 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000253624284 133655946 /nfs/dbraw/zinc/65/59/46/133655946.db2.gz LHFREFNBELZFLG-CRWXNKLISA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000253624287 642672421 /nfs/dbraw/zinc/67/24/21/642672421.db2.gz LHFREFNBELZFLG-RFQIPJPRSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000253624289 642672503 /nfs/dbraw/zinc/67/25/03/642672503.db2.gz LHFREFNBELZFLG-XDQVBPFNSA-N 1 0 227.392 3.358 10 0 BGAERO C[C@H]([NH3+])[C@@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000253624441 388621840 /nfs/dbraw/zinc/62/18/40/388621840.db2.gz BAGGHWBGBNZQPG-BIIVOSGPSA-N 1 0 230.138 3.444 10 0 BGAERO C[C@H]([NH3+])[C@H]1C[C@H]1c1c(Cl)cccc1Cl ZINC000253624442 388621996 /nfs/dbraw/zinc/62/19/96/388621996.db2.gz BAGGHWBGBNZQPG-XLPZGREQSA-N 1 0 230.138 3.444 10 0 BGAERO CCC[N@@H+]1CCC[C@H]2c3ccc(O)cc3CC[C@H]21 ZINC000253635039 349258928 /nfs/dbraw/zinc/25/89/28/349258928.db2.gz BGWNOOWFGJBORE-JKSUJKDBSA-N 1 0 245.366 3.296 10 0 BGAERO CCCC[C@@H]1[C@@H](O)CCC[C@]12CCCC[N@@H+]2C ZINC000253637610 350933813 /nfs/dbraw/zinc/93/38/13/350933813.db2.gz JQAAYMWQZFOCNY-QLFBSQMISA-N 1 0 239.403 3.192 10 0 BGAERO CCC[N@@H+]1CCC[C@H]2c3cc(O)ccc3CC[C@H]21 ZINC000253664615 349259649 /nfs/dbraw/zinc/25/96/49/349259649.db2.gz LGRLJXCJYMYBLM-GOEBONIOSA-N 1 0 245.366 3.296 10 0 BGAERO C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CCS1 ZINC000255039606 135128157 /nfs/dbraw/zinc/12/81/57/135128157.db2.gz IXJCGDFYXQWAAB-DMTLFAOVSA-N 1 0 233.380 3.137 10 0 BGAERO C[C@H]1C[N@H+](C/C=C\c2ccccc2)CCS1 ZINC000255039609 135128257 /nfs/dbraw/zinc/12/82/57/135128257.db2.gz IXJCGDFYXQWAAB-UJZCVKTISA-N 1 0 233.380 3.137 10 0 BGAERO Cl/C=C\C[N@@H+]1CCC[C@H]1c1ccco1 ZINC000255759374 632721265 /nfs/dbraw/zinc/72/12/65/632721265.db2.gz RDKXZNOAJGTANN-NWPZZWLHSA-N 1 0 211.692 3.169 10 0 BGAERO Cl/C=C\C[N@@H+]1CCC[C@@H]1c1ccco1 ZINC000255759377 632721551 /nfs/dbraw/zinc/72/15/51/632721551.db2.gz RDKXZNOAJGTANN-XICOKMJESA-N 1 0 211.692 3.169 10 0 BGAERO C[C@H]1CC[N@H+](C)[C@H]1c1c[nH]c2ccccc12 ZINC000255983529 345765021 /nfs/dbraw/zinc/76/50/21/345765021.db2.gz KNJVUYLBTPVJAU-IINYFYTJSA-N 1 0 214.312 3.181 10 0 BGAERO C[C@@H]1CC[N@H+](C)[C@H]1c1c[nH]c2ccccc12 ZINC000255983530 345764613 /nfs/dbraw/zinc/76/46/13/345764613.db2.gz KNJVUYLBTPVJAU-QMTHXVAHSA-N 1 0 214.312 3.181 10 0 BGAERO CC[C@@H]1C[C@H](C)O[C@H]1[NH2+]C1CCCCC1 ZINC000256008069 171128498 /nfs/dbraw/zinc/12/84/98/171128498.db2.gz VYXFYHIYKRSQEU-DMDPSCGWSA-N 1 0 211.349 3.070 10 0 BGAERO CC[C@@H]1C[C@@H](C)O[C@H]1[NH2+]C1CCCCC1 ZINC000256008070 171117302 /nfs/dbraw/zinc/11/73/02/171117302.db2.gz VYXFYHIYKRSQEU-NQBHXWOUSA-N 1 0 211.349 3.070 10 0 BGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@@H](C)c1cccc(C)c1 ZINC000257364005 634061282 /nfs/dbraw/zinc/06/12/82/634061282.db2.gz JCIRAVWVXNKUTB-AEGPPILISA-N 1 0 233.355 3.213 10 0 BGAERO CO[C@@H]1CCC[C@@H]1[NH2+][C@H](C)c1cccc(C)c1 ZINC000257364008 634061107 /nfs/dbraw/zinc/06/11/07/634061107.db2.gz JCIRAVWVXNKUTB-VHDGCEQUSA-N 1 0 233.355 3.213 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1ccccc1Cl ZINC000257817931 385503819 /nfs/dbraw/zinc/50/38/19/385503819.db2.gz CMGANOQYTQMFLV-SECBINFHSA-N 1 0 201.672 3.088 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1ccccc1Cl ZINC000257817935 385503743 /nfs/dbraw/zinc/50/37/43/385503743.db2.gz CMGANOQYTQMFLV-VIFPVBQESA-N 1 0 201.672 3.088 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1cccc(Cl)c1 ZINC000257828300 385499394 /nfs/dbraw/zinc/49/93/94/385499394.db2.gz GLNTZQYXIKEQGG-SECBINFHSA-N 1 0 201.672 3.088 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1cccc(Cl)c1 ZINC000257828301 385500095 /nfs/dbraw/zinc/50/00/95/385500095.db2.gz GLNTZQYXIKEQGG-VIFPVBQESA-N 1 0 201.672 3.088 10 0 BGAERO C[C@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000257847117 385502269 /nfs/dbraw/zinc/50/22/69/385502269.db2.gz DIUWKIRBXXCZLM-LURJTMIESA-N 1 0 240.100 3.215 10 0 BGAERO C[C@@H]([NH3+])c1cc2c(cccc2Br)o1 ZINC000257847118 385501190 /nfs/dbraw/zinc/50/11/90/385501190.db2.gz DIUWKIRBXXCZLM-ZCFIWIBFSA-N 1 0 240.100 3.215 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1cccc(Br)c1 ZINC000257847562 385502453 /nfs/dbraw/zinc/50/24/53/385502453.db2.gz AMTXVVBHRUZVRT-SECBINFHSA-N 1 0 246.123 3.197 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1cccc(Br)c1 ZINC000257847563 385501116 /nfs/dbraw/zinc/50/11/16/385501116.db2.gz AMTXVVBHRUZVRT-VIFPVBQESA-N 1 0 246.123 3.197 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1ccc(C(F)(F)F)cc1 ZINC000257909662 538771490 /nfs/dbraw/zinc/77/14/90/538771490.db2.gz CEGMVHSCVPUKOK-SECBINFHSA-N 1 0 235.224 3.453 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1ccc(C(F)(F)F)cc1 ZINC000257909676 538770883 /nfs/dbraw/zinc/77/08/83/538770883.db2.gz CEGMVHSCVPUKOK-VIFPVBQESA-N 1 0 235.224 3.453 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1ccc(Cl)cc1 ZINC000257930788 385517358 /nfs/dbraw/zinc/51/73/58/385517358.db2.gz ZSPYCTOZBRZBMK-SECBINFHSA-N 1 0 201.672 3.088 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1ccc(Cl)cc1 ZINC000257930790 385517863 /nfs/dbraw/zinc/51/78/63/385517863.db2.gz ZSPYCTOZBRZBMK-VIFPVBQESA-N 1 0 201.672 3.088 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1cccc(C(F)(F)F)c1 ZINC000257966507 538773158 /nfs/dbraw/zinc/77/31/58/538773158.db2.gz IUZDEIQRYVTUBP-SECBINFHSA-N 1 0 235.224 3.453 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1cccc(C(F)(F)F)c1 ZINC000257966509 538773000 /nfs/dbraw/zinc/77/30/00/538773000.db2.gz IUZDEIQRYVTUBP-VIFPVBQESA-N 1 0 235.224 3.453 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1ccc(Br)cc1 ZINC000257981166 385522919 /nfs/dbraw/zinc/52/29/19/385522919.db2.gz OHIXCZONROVPRD-SECBINFHSA-N 1 0 246.123 3.197 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1ccc(Br)cc1 ZINC000257981167 385522964 /nfs/dbraw/zinc/52/29/64/385522964.db2.gz OHIXCZONROVPRD-VIFPVBQESA-N 1 0 246.123 3.197 10 0 BGAERO C[C@@H]([NH3+])c1cn(C)c2ccc(C(F)(F)F)cc12 ZINC000258004082 349490507 /nfs/dbraw/zinc/49/05/07/349490507.db2.gz XGQMGAQKEWTIQK-SSDOTTSWSA-N 1 0 242.244 3.217 10 0 BGAERO C[C@H]([NH3+])c1cn(C)c2ccc(C(F)(F)F)cc12 ZINC000258004083 349490505 /nfs/dbraw/zinc/49/05/05/349490505.db2.gz XGQMGAQKEWTIQK-ZETCQYMHSA-N 1 0 242.244 3.217 10 0 BGAERO c1cc2ccc([C@@H]3CCCC[NH2+]3)cc2cn1 ZINC000258055031 385528721 /nfs/dbraw/zinc/52/87/21/385528721.db2.gz MRXOWHNLSGOKRR-AWEZNQCLSA-N 1 0 212.296 3.049 10 0 BGAERO c1cc2ccc([C@H]3CCCC[NH2+]3)cc2cn1 ZINC000258055032 385528970 /nfs/dbraw/zinc/52/89/70/385528970.db2.gz MRXOWHNLSGOKRR-CQSZACIVSA-N 1 0 212.296 3.049 10 0 BGAERO [NH3+]C1(CCc2ccc(Cl)cc2)CCC1 ZINC000258120311 384863965 /nfs/dbraw/zinc/86/39/65/384863965.db2.gz TZQSWMXBXLROJF-UHFFFAOYSA-N 1 0 209.720 3.154 10 0 BGAERO Cc1ccc(Cl)c(C2([NH3+])CCCC2)c1 ZINC000258155117 385542709 /nfs/dbraw/zinc/54/27/09/385542709.db2.gz XGUISBRFPGYVMI-UHFFFAOYSA-N 1 0 209.720 3.376 10 0 BGAERO C[C@@H](C[NH3+])c1c(Cl)cccc1Br ZINC000258396665 384577404 /nfs/dbraw/zinc/57/74/04/384577404.db2.gz PRVLLTFTIVMLQH-LURJTMIESA-N 1 0 248.551 3.165 10 0 BGAERO C[C@H](C[NH3+])c1c(Cl)cccc1Br ZINC000258396669 384576365 /nfs/dbraw/zinc/57/63/65/384576365.db2.gz PRVLLTFTIVMLQH-ZCFIWIBFSA-N 1 0 248.551 3.165 10 0 BGAERO CSc1ccc(CC(C)(C)[NH3+])cc1Cl ZINC000258444150 349499905 /nfs/dbraw/zinc/49/99/05/349499905.db2.gz NQIDSVPQIUTMFK-UHFFFAOYSA-N 1 0 229.776 3.342 10 0 BGAERO C[C@H](C[NH3+])CNc1ccc(Cl)cc1Cl ZINC000258816682 384670214 /nfs/dbraw/zinc/67/02/14/384670214.db2.gz UWRLBLBZYURXQP-SSDOTTSWSA-N 1 0 233.142 3.000 10 0 BGAERO C[C@@H](C[NH3+])CNc1ccc(Cl)cc1Cl ZINC000258819451 384670272 /nfs/dbraw/zinc/67/02/72/384670272.db2.gz UWRLBLBZYURXQP-ZETCQYMHSA-N 1 0 233.142 3.000 10 0 BGAERO c1nc([C@@H]2CCCC[NH2+]2)oc1Cc1ccccc1 ZINC000258916952 384695564 /nfs/dbraw/zinc/69/55/64/384695564.db2.gz PFPDJUWGSKFMKX-AWEZNQCLSA-N 1 0 242.322 3.080 10 0 BGAERO c1nc([C@H]2CCCC[NH2+]2)oc1Cc1ccccc1 ZINC000258916964 384697061 /nfs/dbraw/zinc/69/70/61/384697061.db2.gz PFPDJUWGSKFMKX-CQSZACIVSA-N 1 0 242.322 3.080 10 0 BGAERO C[NH2+]C(C)(C)C(=O)c1ccc(Cl)cc1Cl ZINC000259149049 385666622 /nfs/dbraw/zinc/66/66/22/385666622.db2.gz KUWDDEVJPIZADJ-UHFFFAOYSA-N 1 0 246.137 3.174 10 0 BGAERO CCC(CC)Oc1ccc(CCC[NH3+])cc1 ZINC000259453761 349575150 /nfs/dbraw/zinc/57/51/50/349575150.db2.gz FYMISVMLERDTEJ-UHFFFAOYSA-N 1 0 221.344 3.145 10 0 BGAERO C[C@H](c1c(Cl)cccc1Cl)[C@H](C)[NH3+] ZINC000260294960 398084212 /nfs/dbraw/zinc/08/42/12/398084212.db2.gz YPIROBHGCCDBGJ-BQBZGAKWSA-N 1 0 218.127 3.444 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)c1c(Cl)cccc1Cl ZINC000260294963 398084059 /nfs/dbraw/zinc/08/40/59/398084059.db2.gz YPIROBHGCCDBGJ-NKWVEPMBSA-N 1 0 218.127 3.444 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)c1c(Cl)cccc1Cl ZINC000260294965 398083948 /nfs/dbraw/zinc/08/39/48/398083948.db2.gz YPIROBHGCCDBGJ-RNFRBKRXSA-N 1 0 218.127 3.444 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)c1c(Cl)cccc1Cl ZINC000260294969 398083954 /nfs/dbraw/zinc/08/39/54/398083954.db2.gz YPIROBHGCCDBGJ-RQJHMYQMSA-N 1 0 218.127 3.444 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261539954 135178408 /nfs/dbraw/zinc/17/84/08/135178408.db2.gz CSXXRBSFVXNGSA-KBXIAJHMSA-N 1 0 238.419 3.075 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261539955 135178763 /nfs/dbraw/zinc/17/87/63/135178763.db2.gz CSXXRBSFVXNGSA-TUVASFSCSA-N 1 0 238.419 3.075 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000261539956 135178634 /nfs/dbraw/zinc/17/86/34/135178634.db2.gz CSXXRBSFVXNGSA-XGUBFFRZSA-N 1 0 238.419 3.075 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000261539957 135178747 /nfs/dbraw/zinc/17/87/47/135178747.db2.gz CSXXRBSFVXNGSA-YJNKXOJESA-N 1 0 238.419 3.075 10 0 BGAERO CC(C)c1ccc([C@H](C)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549760 535374351 /nfs/dbraw/zinc/37/43/51/535374351.db2.gz JXALZDLFZLEEJS-DVOMOZLQSA-N 1 0 246.398 3.150 10 0 BGAERO CC(C)c1ccc([C@H](C)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000261549761 535374246 /nfs/dbraw/zinc/37/42/46/535374246.db2.gz JXALZDLFZLEEJS-HEHGZKQESA-N 1 0 246.398 3.150 10 0 BGAERO CC(C)c1ccc([C@H](C)N2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000261549762 535374359 /nfs/dbraw/zinc/37/43/59/535374359.db2.gz JXALZDLFZLEEJS-XEZPLFJOSA-N 1 0 246.398 3.150 10 0 BGAERO CCCC1(c2nc(C3([NH3+])CCCCC3)no2)CC1 ZINC000261569544 135211438 /nfs/dbraw/zinc/21/14/38/135211438.db2.gz JZDZEZCJONBIHF-UHFFFAOYSA-N 1 0 249.358 3.019 10 0 BGAERO C[C@@H]([NH3+])c1nc(CCC2CCCC2)cs1 ZINC000261582316 135223708 /nfs/dbraw/zinc/22/37/08/135223708.db2.gz ODWDWPZZSNQMJY-SECBINFHSA-N 1 0 224.373 3.286 10 0 BGAERO c1cc2c(c(C[N@@H+]3CC[C@H]4CCC[C@@H]43)c1)NCC2 ZINC000262040500 135274445 /nfs/dbraw/zinc/27/44/45/135274445.db2.gz YGWBSAUGUUBVCR-DOMZBBRYSA-N 1 0 242.366 3.029 10 0 BGAERO c1cc2c(c(C[N@@H+]3CC[C@H]4CCC[C@H]43)c1)NCC2 ZINC000262040504 135274964 /nfs/dbraw/zinc/27/49/64/135274964.db2.gz YGWBSAUGUUBVCR-IUODEOHRSA-N 1 0 242.366 3.029 10 0 BGAERO c1cc2c(c(C[N@@H+]3CC[C@@H]4CCC[C@H]43)c1)NCC2 ZINC000262040507 135274894 /nfs/dbraw/zinc/27/48/94/135274894.db2.gz YGWBSAUGUUBVCR-SWLSCSKDSA-N 1 0 242.366 3.029 10 0 BGAERO c1cc2c(c(C[N@@H+]3CC[C@@H]4CCC[C@@H]43)c1)NCC2 ZINC000262040511 135275001 /nfs/dbraw/zinc/27/50/01/135275001.db2.gz YGWBSAUGUUBVCR-WFASDCNBSA-N 1 0 242.366 3.029 10 0 BGAERO CC[C@@H]([NH2+]Cc1nccs1)C(C)(C)C ZINC000264378925 364719840 /nfs/dbraw/zinc/71/98/40/364719840.db2.gz JLODPJJKQGWNJS-SECBINFHSA-N 1 0 212.362 3.057 10 0 BGAERO CC[C@H]([NH2+]Cc1nccs1)C(C)(C)C ZINC000264378927 388991409 /nfs/dbraw/zinc/99/14/09/388991409.db2.gz JLODPJJKQGWNJS-VIFPVBQESA-N 1 0 212.362 3.057 10 0 BGAERO CC(C)(C)[C@@H](O)CNc1cc[nH+]c2ccccc12 ZINC000264768744 387811557 /nfs/dbraw/zinc/81/15/57/387811557.db2.gz FYHNWOPCMQUNNO-AWEZNQCLSA-N 1 0 244.338 3.054 10 0 BGAERO CC(C)(C)[C@H](O)CNc1cc[nH+]c2ccccc12 ZINC000264768748 387811393 /nfs/dbraw/zinc/81/13/93/387811393.db2.gz FYHNWOPCMQUNNO-CQSZACIVSA-N 1 0 244.338 3.054 10 0 BGAERO CC(C)[C@H](C)Nc1ccnc2ccncc21 ZINC000267258259 388999022 /nfs/dbraw/zinc/99/90/22/388999022.db2.gz WCIUPRJURZWTRQ-JTQLQIEISA-N 1 0 215.300 3.086 10 0 BGAERO CC(C)[C@@H](C)Nc1ccnc2ccncc21 ZINC000267258260 167387825 /nfs/dbraw/zinc/38/78/25/167387825.db2.gz WCIUPRJURZWTRQ-SNVBAGLBSA-N 1 0 215.300 3.086 10 0 BGAERO COCCC[C@@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000268760468 174261525 /nfs/dbraw/zinc/26/15/25/174261525.db2.gz NKSRNMAHFFMIEY-DOMZBBRYSA-N 1 0 233.355 3.079 10 0 BGAERO COCCC[C@H](C)[NH2+][C@H]1CCc2ccccc21 ZINC000268760471 174264433 /nfs/dbraw/zinc/26/44/33/174264433.db2.gz NKSRNMAHFFMIEY-WFASDCNBSA-N 1 0 233.355 3.079 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000268867988 179196907 /nfs/dbraw/zinc/19/69/07/179196907.db2.gz HSRRAKIIOHFJLI-GXTWGEPZSA-N 1 0 235.371 3.053 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000268867989 179195733 /nfs/dbraw/zinc/19/57/33/179195733.db2.gz HSRRAKIIOHFJLI-JSGCOSHPSA-N 1 0 235.371 3.053 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)c1 ZINC000268867990 179181499 /nfs/dbraw/zinc/18/14/99/179181499.db2.gz HSRRAKIIOHFJLI-OCCSQVGLSA-N 1 0 235.371 3.053 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)c1 ZINC000268867991 179182689 /nfs/dbraw/zinc/18/26/89/179182689.db2.gz HSRRAKIIOHFJLI-TZMCWYRMSA-N 1 0 235.371 3.053 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)s1 ZINC000268885996 364732240 /nfs/dbraw/zinc/73/22/40/364732240.db2.gz MUTHIAIOEGBCNP-DTWKUNHWSA-N 1 0 245.775 3.231 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCOC1)c1ccc(Cl)s1 ZINC000268885999 389006165 /nfs/dbraw/zinc/00/61/65/389006165.db2.gz MUTHIAIOEGBCNP-IUCAKERBSA-N 1 0 245.775 3.231 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000268887506 179336838 /nfs/dbraw/zinc/33/68/38/179336838.db2.gz NCYCMMBVYKAJOM-GXTWGEPZSA-N 1 0 235.371 3.053 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000268887507 179337953 /nfs/dbraw/zinc/33/79/53/179337953.db2.gz NCYCMMBVYKAJOM-JSGCOSHPSA-N 1 0 235.371 3.053 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000269002885 179338898 /nfs/dbraw/zinc/33/88/98/179338898.db2.gz KHDXNCSVKSXGKA-DZKIICNBSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000269002886 179338584 /nfs/dbraw/zinc/33/85/84/179338584.db2.gz KHDXNCSVKSXGKA-OFQRWUPVSA-N 1 0 247.382 3.197 10 0 BGAERO CC(C)C[NH2+][C@H](Cc1ccccc1)C(F)F ZINC000271302361 167013146 /nfs/dbraw/zinc/01/31/46/167013146.db2.gz UWCTYLJLXREOGY-GFCCVEGCSA-N 1 0 227.298 3.108 10 0 BGAERO CC(C)C[NH2+][C@@H](Cc1ccccc1)C(F)F ZINC000271302363 167011613 /nfs/dbraw/zinc/01/16/13/167011613.db2.gz UWCTYLJLXREOGY-LBPRGKRZSA-N 1 0 227.298 3.108 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000271424509 389019375 /nfs/dbraw/zinc/01/93/75/389019375.db2.gz AZXPXIKPQKPHMK-FBIMIBRVSA-N 1 0 224.373 3.291 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000271424510 389019744 /nfs/dbraw/zinc/01/97/44/389019744.db2.gz AZXPXIKPQKPHMK-IEBDPFPHSA-N 1 0 224.373 3.291 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1cnccc1C)C(C)C ZINC000271489773 364748000 /nfs/dbraw/zinc/74/80/00/364748000.db2.gz FFXCVBIXWJYATI-GXTWGEPZSA-N 1 0 220.360 3.475 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1cnccc1C)C(C)C ZINC000271489774 389021803 /nfs/dbraw/zinc/02/18/03/389021803.db2.gz FFXCVBIXWJYATI-JSGCOSHPSA-N 1 0 220.360 3.475 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cnccc1C)C(C)C ZINC000271489776 171545579 /nfs/dbraw/zinc/54/55/79/171545579.db2.gz FFXCVBIXWJYATI-OCCSQVGLSA-N 1 0 220.360 3.475 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1cnccc1C)C(C)C ZINC000271489778 364747940 /nfs/dbraw/zinc/74/79/40/364747940.db2.gz FFXCVBIXWJYATI-TZMCWYRMSA-N 1 0 220.360 3.475 10 0 BGAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@@H]1CCCCO1 ZINC000271924831 384658165 /nfs/dbraw/zinc/65/81/65/384658165.db2.gz CHKDCJVKTZBRFQ-RCBQFDQVSA-N 1 0 245.366 3.221 10 0 BGAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@H]1CCCCO1 ZINC000271924833 384658206 /nfs/dbraw/zinc/65/82/06/384658206.db2.gz CHKDCJVKTZBRFQ-VBNZEHGJSA-N 1 0 245.366 3.221 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCCO2)o1 ZINC000271933281 389027624 /nfs/dbraw/zinc/02/76/24/389027624.db2.gz MDOXCXMZYOICTR-AGIUHOORSA-N 1 0 237.343 3.196 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCCO2)o1 ZINC000271933284 389027649 /nfs/dbraw/zinc/02/76/49/389027649.db2.gz MDOXCXMZYOICTR-AVGNSLFASA-N 1 0 237.343 3.196 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CCCCO2)o1 ZINC000271933287 389028268 /nfs/dbraw/zinc/02/82/68/389028268.db2.gz MDOXCXMZYOICTR-FRRDWIJNSA-N 1 0 237.343 3.196 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCCO2)o1 ZINC000271933290 389027868 /nfs/dbraw/zinc/02/78/68/389027868.db2.gz MDOXCXMZYOICTR-RWMBFGLXSA-N 1 0 237.343 3.196 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@H]1CCCCO1 ZINC000271949658 176912713 /nfs/dbraw/zinc/91/27/13/176912713.db2.gz ZVBUAJBLURFHGR-GRYCIOLGSA-N 1 0 239.384 3.356 10 0 BGAERO C[C@H]([NH2+][C@@H](C)[C@H]1CCCCO1)c1cccs1 ZINC000271949659 389028611 /nfs/dbraw/zinc/02/86/11/389028611.db2.gz ZVBUAJBLURFHGR-SDDRHHMPSA-N 1 0 239.384 3.356 10 0 BGAERO C[C@H]([NH2+][C@@H](C)[C@@H]1CCCCO1)c1cccs1 ZINC000271949661 389028573 /nfs/dbraw/zinc/02/85/73/389028573.db2.gz ZVBUAJBLURFHGR-SRVKXCTJSA-N 1 0 239.384 3.356 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@@H]1CCCCO1 ZINC000271949663 389027366 /nfs/dbraw/zinc/02/73/66/389027366.db2.gz ZVBUAJBLURFHGR-WOPDTQHZSA-N 1 0 239.384 3.356 10 0 BGAERO CC(C)CC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000273130464 389036790 /nfs/dbraw/zinc/03/67/90/389036790.db2.gz RIDKMQLXLJSHGN-CYBMUJFWSA-N 1 0 241.762 3.009 10 0 BGAERO CC[C@@H]([NH2+]CCc1ccccn1)C(C)(C)C ZINC000274380670 389046291 /nfs/dbraw/zinc/04/62/91/389046291.db2.gz MTKWQRJFLPKIHY-CYBMUJFWSA-N 1 0 220.360 3.038 10 0 BGAERO CC[C@H]([NH2+]CCc1ccccn1)C(C)(C)C ZINC000274380671 389046194 /nfs/dbraw/zinc/04/61/94/389046194.db2.gz MTKWQRJFLPKIHY-ZDUSSCGKSA-N 1 0 220.360 3.038 10 0 BGAERO Cc1cc(N[C@H]2CCc3ccccc32)cc[nH+]1 ZINC000274395817 178190846 /nfs/dbraw/zinc/19/08/46/178190846.db2.gz WTQREOFAAHUHDL-HNNXBMFYSA-N 1 0 224.307 3.489 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1cncc(C)c1)C(C)C ZINC000274661031 350739973 /nfs/dbraw/zinc/73/99/73/350739973.db2.gz WKSSUHURWZHFMP-GXTWGEPZSA-N 1 0 220.360 3.475 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1cncc(C)c1)C(C)C ZINC000274661035 386296289 /nfs/dbraw/zinc/29/62/89/386296289.db2.gz WKSSUHURWZHFMP-JSGCOSHPSA-N 1 0 220.360 3.475 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cncc(C)c1)C(C)C ZINC000274661038 386295834 /nfs/dbraw/zinc/29/58/34/386295834.db2.gz WKSSUHURWZHFMP-OCCSQVGLSA-N 1 0 220.360 3.475 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1cncc(C)c1)C(C)C ZINC000274661043 350740148 /nfs/dbraw/zinc/74/01/48/350740148.db2.gz WKSSUHURWZHFMP-TZMCWYRMSA-N 1 0 220.360 3.475 10 0 BGAERO Cc1cc(N2CC[C@H](OCCC(C)C)C2)cc[nH+]1 ZINC000274883408 178119434 /nfs/dbraw/zinc/11/94/34/178119434.db2.gz HXEKRJMZLWUFAM-HNNXBMFYSA-N 1 0 248.370 3.031 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274940698 167386006 /nfs/dbraw/zinc/38/60/06/167386006.db2.gz SVHOUCKUIOETPB-NXEZZACHSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274940699 188265451 /nfs/dbraw/zinc/26/54/51/188265451.db2.gz SVHOUCKUIOETPB-UWVGGRQHSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H](C)c1ccc(Cl)cn1 ZINC000274940700 188265686 /nfs/dbraw/zinc/26/56/86/188265686.db2.gz SVHOUCKUIOETPB-VHSXEESVSA-N 1 0 226.751 3.430 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cn1 ZINC000274940701 167383855 /nfs/dbraw/zinc/38/38/55/167383855.db2.gz SVHOUCKUIOETPB-ZJUUUORDSA-N 1 0 226.751 3.430 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H](c2ccccc2)C1 ZINC000275474389 326306289 /nfs/dbraw/zinc/30/62/89/326306289.db2.gz JFNHODXJAGNYSV-UNQGMJICSA-N 1 0 215.340 3.321 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCCOC1)c1csc(Cl)c1 ZINC000276422549 387521090 /nfs/dbraw/zinc/52/10/90/387521090.db2.gz VVWJIIULCNAVQH-PSASIEDQSA-N 1 0 245.775 3.231 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCOC1)c1csc(Cl)c1 ZINC000276422556 384455765 /nfs/dbraw/zinc/45/57/65/384455765.db2.gz VVWJIIULCNAVQH-WCBMZHEXSA-N 1 0 245.775 3.231 10 0 BGAERO C[C@H]([NH2+][C@H]1CCO[C@H]1C)c1csc(Cl)c1 ZINC000276576045 176926394 /nfs/dbraw/zinc/92/63/94/176926394.db2.gz UPVRRTPYJULKCL-NRPADANISA-N 1 0 245.775 3.230 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1csc(Cl)c1 ZINC000276576061 388349347 /nfs/dbraw/zinc/34/93/47/388349347.db2.gz UPVRRTPYJULKCL-OYNCUSHFSA-N 1 0 245.775 3.230 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1ccsc1 ZINC000276921120 388351793 /nfs/dbraw/zinc/35/17/93/388351793.db2.gz MOIFJOWJQWOWKG-DRZSPHRISA-N 1 0 239.384 3.356 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccsc1 ZINC000276921123 388351767 /nfs/dbraw/zinc/35/17/67/388351767.db2.gz MOIFJOWJQWOWKG-RTXFEEFZSA-N 1 0 239.384 3.356 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccsc1 ZINC000276921128 169512592 /nfs/dbraw/zinc/51/25/92/169512592.db2.gz MOIFJOWJQWOWKG-UHTWSYAYSA-N 1 0 239.384 3.356 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1ccsc1 ZINC000276921129 384582624 /nfs/dbraw/zinc/58/26/24/384582624.db2.gz MOIFJOWJQWOWKG-WXHSDQCUSA-N 1 0 239.384 3.356 10 0 BGAERO CC[C@@H]([NH2+]Cc1ccc(F)nc1C)C(C)C ZINC000278362888 364763564 /nfs/dbraw/zinc/76/35/64/364763564.db2.gz JDQZZLPBEHHLMK-GFCCVEGCSA-N 1 0 224.323 3.053 10 0 BGAERO CC[C@H]([NH2+]Cc1ccc(F)nc1C)C(C)C ZINC000278362891 388355372 /nfs/dbraw/zinc/35/53/72/388355372.db2.gz JDQZZLPBEHHLMK-LBPRGKRZSA-N 1 0 224.323 3.053 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1nccs1 ZINC000279135018 384934739 /nfs/dbraw/zinc/93/47/39/384934739.db2.gz RIFRTWJHLXSECY-GHMZBOCLSA-N 1 0 224.373 3.202 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1nccs1 ZINC000279135019 384933997 /nfs/dbraw/zinc/93/39/97/384933997.db2.gz RIFRTWJHLXSECY-MNOVXSKESA-N 1 0 224.373 3.202 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1nccs1 ZINC000279135021 384933958 /nfs/dbraw/zinc/93/39/58/384933958.db2.gz RIFRTWJHLXSECY-QWRGUYRKSA-N 1 0 224.373 3.202 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1nccs1 ZINC000279135022 384933108 /nfs/dbraw/zinc/93/31/08/384933108.db2.gz RIFRTWJHLXSECY-WDEREUQCSA-N 1 0 224.373 3.202 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000279224679 385085266 /nfs/dbraw/zinc/08/52/66/385085266.db2.gz ZINSMLYGLYQJFM-KBPBESRZSA-N 1 0 218.344 3.140 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccnc1 ZINC000279224682 385084099 /nfs/dbraw/zinc/08/40/99/385084099.db2.gz ZINSMLYGLYQJFM-KGLIPLIRSA-N 1 0 218.344 3.140 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cccnc1 ZINC000279224684 385085728 /nfs/dbraw/zinc/08/57/28/385085728.db2.gz ZINSMLYGLYQJFM-UONOGXRCSA-N 1 0 218.344 3.140 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccnc1 ZINC000279224687 385085238 /nfs/dbraw/zinc/08/52/38/385085238.db2.gz ZINSMLYGLYQJFM-ZIAGYGMSSA-N 1 0 218.344 3.140 10 0 BGAERO CC(C)n1nccc1C[NH2+][C@H](C)c1cccs1 ZINC000280084340 385254323 /nfs/dbraw/zinc/25/43/23/385254323.db2.gz YRPUTKGRRLWQJX-LLVKDONJSA-N 1 0 249.383 3.376 10 0 BGAERO CC(C)n1nccc1C[NH2+][C@@H](C)c1cccs1 ZINC000280084344 385255400 /nfs/dbraw/zinc/25/54/00/385255400.db2.gz YRPUTKGRRLWQJX-NSHDSACASA-N 1 0 249.383 3.376 10 0 BGAERO CC(C)CC[C@H](O)C[NH2+][C@H](C)c1cccs1 ZINC000280221822 346311917 /nfs/dbraw/zinc/31/19/17/346311917.db2.gz LJGQMCJEVVTBJQ-NEPJUHHUSA-N 1 0 241.400 3.196 10 0 BGAERO CC(C)CC[C@@H](O)C[NH2+][C@@H](C)c1cccs1 ZINC000280221826 385281139 /nfs/dbraw/zinc/28/11/39/385281139.db2.gz LJGQMCJEVVTBJQ-NWDGAFQWSA-N 1 0 241.400 3.196 10 0 BGAERO CC(C)CC[C@H](O)C[NH2+][C@@H](C)c1cccs1 ZINC000280221830 346311491 /nfs/dbraw/zinc/31/14/91/346311491.db2.gz LJGQMCJEVVTBJQ-RYUDHWBXSA-N 1 0 241.400 3.196 10 0 BGAERO CC(C)CC[C@@H](O)C[NH2+][C@H](C)c1cccs1 ZINC000280221835 166898457 /nfs/dbraw/zinc/89/84/57/166898457.db2.gz LJGQMCJEVVTBJQ-VXGBXAGGSA-N 1 0 241.400 3.196 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1cncc(C)c1 ZINC000281089707 397751649 /nfs/dbraw/zinc/75/16/49/397751649.db2.gz KATQMXXWOLKINR-OUCADQQQSA-N 1 0 218.344 3.229 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cncc(C)c1 ZINC000281089709 397751680 /nfs/dbraw/zinc/75/16/80/397751680.db2.gz KATQMXXWOLKINR-YRGRVCCFSA-N 1 0 218.344 3.229 10 0 BGAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000281762723 188032672 /nfs/dbraw/zinc/03/26/72/188032672.db2.gz WMPSQXKZBOOTFF-IJLUTSLNSA-N 1 0 237.343 3.134 10 0 BGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccco1 ZINC000281762724 177363260 /nfs/dbraw/zinc/36/32/60/177363260.db2.gz WMPSQXKZBOOTFF-RNJOBUHISA-N 1 0 237.343 3.134 10 0 BGAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccco1 ZINC000281762726 385701586 /nfs/dbraw/zinc/70/15/86/385701586.db2.gz WMPSQXKZBOOTFF-UTUOFQBUSA-N 1 0 237.343 3.134 10 0 BGAERO Cc1cccc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)[nH+]1 ZINC000281846794 179147854 /nfs/dbraw/zinc/14/78/54/179147854.db2.gz LSMRKKRSBXNGPK-CLLJXQQHSA-N 1 0 234.343 3.006 10 0 BGAERO Cc1cccc(NCC2C[C@H](C)O[C@@H](C)C2)[nH+]1 ZINC000281846798 179143334 /nfs/dbraw/zinc/14/33/34/179143334.db2.gz LSMRKKRSBXNGPK-RYUDHWBXSA-N 1 0 234.343 3.006 10 0 BGAERO Cc1cccc(NCC2C[C@@H](C)O[C@H](C)C2)[nH+]1 ZINC000281846801 179143934 /nfs/dbraw/zinc/14/39/34/179143934.db2.gz LSMRKKRSBXNGPK-VXGBXAGGSA-N 1 0 234.343 3.006 10 0 BGAERO Cc1cc(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000281900889 178169877 /nfs/dbraw/zinc/16/98/77/178169877.db2.gz PORGIOAXHMJDFP-CLLJXQQHSA-N 1 0 234.343 3.006 10 0 BGAERO Cc1cc(NCC2C[C@H](C)O[C@@H](C)C2)cc[nH+]1 ZINC000281902926 178158485 /nfs/dbraw/zinc/15/84/85/178158485.db2.gz PORGIOAXHMJDFP-RYUDHWBXSA-N 1 0 234.343 3.006 10 0 BGAERO Cc1cc(NCC2C[C@@H](C)O[C@H](C)C2)cc[nH+]1 ZINC000281902927 178158709 /nfs/dbraw/zinc/15/87/09/178158709.db2.gz PORGIOAXHMJDFP-VXGBXAGGSA-N 1 0 234.343 3.006 10 0 BGAERO Cc1cc([C@@H](C)[NH2+]C2CC(F)(F)C2)oc1C ZINC000281914824 178223376 /nfs/dbraw/zinc/22/33/76/178223376.db2.gz AEIZKLSEJNSEPF-MRVPVSSYSA-N 1 0 229.270 3.345 10 0 BGAERO Cc1cc([C@H](C)[NH2+]C2CC(F)(F)C2)oc1C ZINC000281914828 178245505 /nfs/dbraw/zinc/24/55/05/178245505.db2.gz AEIZKLSEJNSEPF-QMMMGPOBSA-N 1 0 229.270 3.345 10 0 BGAERO Cc1ccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000282042214 385726412 /nfs/dbraw/zinc/72/64/12/385726412.db2.gz AIZWZGPIUHYGPP-KBPBESRZSA-N 1 0 247.382 3.288 10 0 BGAERO Cc1ccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000282042227 385727863 /nfs/dbraw/zinc/72/78/63/385727863.db2.gz AIZWZGPIUHYGPP-MIFYACCESA-N 1 0 247.382 3.288 10 0 BGAERO Cc1ccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000282042238 385727321 /nfs/dbraw/zinc/72/73/21/385727321.db2.gz AIZWZGPIUHYGPP-ZIAGYGMSSA-N 1 0 247.382 3.288 10 0 BGAERO C[C@@H]1CC(C[NH2+]Cc2ccsc2)C[C@@H](C)O1 ZINC000282152860 188222652 /nfs/dbraw/zinc/22/26/52/188222652.db2.gz HUMHNFGYCRWBCS-GHMZBOCLSA-N 1 0 239.384 3.041 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2ccsc2)C[C@H](C)O1 ZINC000282152864 177363303 /nfs/dbraw/zinc/36/33/03/177363303.db2.gz HUMHNFGYCRWBCS-PTEHBNRSSA-N 1 0 239.384 3.041 10 0 BGAERO C[C@H]1CC(C[NH2+]Cc2ccsc2)C[C@H](C)O1 ZINC000282152866 191903403 /nfs/dbraw/zinc/90/34/03/191903403.db2.gz HUMHNFGYCRWBCS-QWRGUYRKSA-N 1 0 239.384 3.041 10 0 BGAERO Cc1cccc(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000282212359 179090043 /nfs/dbraw/zinc/09/00/43/179090043.db2.gz MEOQAEVHHXGFNK-KBPBESRZSA-N 1 0 247.382 3.288 10 0 BGAERO Cc1cccc(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000282212361 179093976 /nfs/dbraw/zinc/09/39/76/179093976.db2.gz MEOQAEVHHXGFNK-MIFYACCESA-N 1 0 247.382 3.288 10 0 BGAERO Cc1cccc(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000282212362 179090903 /nfs/dbraw/zinc/09/09/03/179090903.db2.gz MEOQAEVHHXGFNK-ZIAGYGMSSA-N 1 0 247.382 3.288 10 0 BGAERO C[C@@H]1CC(C[NH2+]Cc2cccs2)C[C@@H](C)O1 ZINC000282270079 385549337 /nfs/dbraw/zinc/54/93/37/385549337.db2.gz PTTGHRRGNXBVGO-GHMZBOCLSA-N 1 0 239.384 3.041 10 0 BGAERO C[C@H]1CC(C[NH2+]Cc2cccs2)C[C@H](C)O1 ZINC000282270084 385549494 /nfs/dbraw/zinc/54/94/94/385549494.db2.gz PTTGHRRGNXBVGO-QWRGUYRKSA-N 1 0 239.384 3.041 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]Cc2cccs2)C[C@H](C)O1 ZINC000282270087 177363202 /nfs/dbraw/zinc/36/32/02/177363202.db2.gz PTTGHRRGNXBVGO-ZSBIGDGJSA-N 1 0 239.384 3.041 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1cccc(O)c1 ZINC000282415443 385761936 /nfs/dbraw/zinc/76/19/36/385761936.db2.gz SJEXTECWGAUMQT-MPKXVKKWSA-N 1 0 219.328 3.231 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1cccc(O)c1 ZINC000282415449 169433737 /nfs/dbraw/zinc/43/37/37/169433737.db2.gz SJEXTECWGAUMQT-QKCSRTOESA-N 1 0 219.328 3.231 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1cccc(O)c1 ZINC000282415456 385761902 /nfs/dbraw/zinc/76/19/02/385761902.db2.gz SJEXTECWGAUMQT-SUHUHFCYSA-N 1 0 219.328 3.231 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282753029 385974753 /nfs/dbraw/zinc/97/47/53/385974753.db2.gz AXOYNBYGCWWVCO-GCPZOVCVSA-N 1 0 215.340 3.177 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282753032 385973876 /nfs/dbraw/zinc/97/38/76/385973876.db2.gz AXOYNBYGCWWVCO-MFHWUAJNSA-N 1 0 215.340 3.177 10 0 BGAERO C[C@@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282753034 176446926 /nfs/dbraw/zinc/44/69/26/176446926.db2.gz AXOYNBYGCWWVCO-NKQKNBIVSA-N 1 0 215.340 3.177 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)[C@@H]1C[C@H]1c1ccccc1 ZINC000282753036 176906903 /nfs/dbraw/zinc/90/69/03/176906903.db2.gz AXOYNBYGCWWVCO-VJFWYMLFSA-N 1 0 215.340 3.177 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]CCCCCF)o1 ZINC000283988231 385833846 /nfs/dbraw/zinc/83/38/46/385833846.db2.gz GBNLPNWQJFIWBK-LLVKDONJSA-N 1 0 213.296 3.378 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]CCCCCF)o1 ZINC000283988232 188404769 /nfs/dbraw/zinc/40/47/69/188404769.db2.gz GBNLPNWQJFIWBK-NSHDSACASA-N 1 0 213.296 3.378 10 0 BGAERO COc1cccc(CC[NH2+][C@H]2CCC2(C)C)c1 ZINC000284096565 175252582 /nfs/dbraw/zinc/25/25/82/175252582.db2.gz BQZCVQOONSMGFF-AWEZNQCLSA-N 1 0 233.355 3.016 10 0 BGAERO COc1cccc(CC[NH2+][C@@H]2CCC2(C)C)c1 ZINC000284096569 175253053 /nfs/dbraw/zinc/25/30/53/175253053.db2.gz BQZCVQOONSMGFF-CQSZACIVSA-N 1 0 233.355 3.016 10 0 BGAERO Cc1cn[nH]c1C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC000284132912 398077278 /nfs/dbraw/zinc/07/72/78/398077278.db2.gz SBCOYUGORUPKSY-JTQLQIEISA-N 1 0 249.745 3.222 10 0 BGAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000284203647 411216200 /nfs/dbraw/zinc/21/62/00/411216200.db2.gz GQSVXMIFYZBVHB-GXTWGEPZSA-N 1 0 231.339 3.158 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2c1cccc2O ZINC000284203649 411216291 /nfs/dbraw/zinc/21/62/91/411216291.db2.gz GQSVXMIFYZBVHB-JSGCOSHPSA-N 1 0 231.339 3.158 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000284203651 167937197 /nfs/dbraw/zinc/93/71/97/167937197.db2.gz GQSVXMIFYZBVHB-OCCSQVGLSA-N 1 0 231.339 3.158 10 0 BGAERO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2c1cccc2O ZINC000284205689 387162161 /nfs/dbraw/zinc/16/21/61/387162161.db2.gz GQSVXMIFYZBVHB-TZMCWYRMSA-N 1 0 231.339 3.158 10 0 BGAERO CC[C@@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)C(C)C ZINC000284239311 359534158 /nfs/dbraw/zinc/53/41/58/359534158.db2.gz DZVQTVZTBUEBKH-CYBMUJFWSA-N 1 0 249.402 3.298 10 0 BGAERO CC[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)C(C)C ZINC000284239316 387576733 /nfs/dbraw/zinc/57/67/33/387576733.db2.gz DZVQTVZTBUEBKH-ZDUSSCGKSA-N 1 0 249.402 3.298 10 0 BGAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000284276928 387172543 /nfs/dbraw/zinc/17/25/43/387172543.db2.gz JREFHRPCNYHLDQ-GXTWGEPZSA-N 1 0 231.339 3.288 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCOc2ccccc21 ZINC000284276931 167936878 /nfs/dbraw/zinc/93/68/78/167936878.db2.gz JREFHRPCNYHLDQ-JSGCOSHPSA-N 1 0 231.339 3.288 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000284276933 359293808 /nfs/dbraw/zinc/29/38/08/359293808.db2.gz JREFHRPCNYHLDQ-OCCSQVGLSA-N 1 0 231.339 3.288 10 0 BGAERO CC1(C)CC[C@H]1[NH2+][C@@H]1CCOc2ccccc21 ZINC000284276938 187240660 /nfs/dbraw/zinc/24/06/60/187240660.db2.gz JREFHRPCNYHLDQ-TZMCWYRMSA-N 1 0 231.339 3.288 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284394298 385866795 /nfs/dbraw/zinc/86/67/95/385866795.db2.gz PHUZBYMSOKOQPN-CHWSQXEVSA-N 1 0 247.386 3.052 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284394303 169433727 /nfs/dbraw/zinc/43/37/27/169433727.db2.gz PHUZBYMSOKOQPN-OLZOCXBDSA-N 1 0 247.386 3.052 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284394306 385866681 /nfs/dbraw/zinc/86/66/81/385866681.db2.gz PHUZBYMSOKOQPN-QWHCGFSZSA-N 1 0 247.386 3.052 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284394309 385866020 /nfs/dbraw/zinc/86/60/20/385866020.db2.gz PHUZBYMSOKOQPN-STQMWFEESA-N 1 0 247.386 3.052 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1cc(C)on1)C(C)C ZINC000284966385 359319170 /nfs/dbraw/zinc/31/91/70/359319170.db2.gz FOWVCPYUDWYEQF-GHMZBOCLSA-N 1 0 210.321 3.068 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cc(C)on1)C(C)C ZINC000284966388 387238558 /nfs/dbraw/zinc/23/85/58/387238558.db2.gz FOWVCPYUDWYEQF-MNOVXSKESA-N 1 0 210.321 3.068 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1cc(C)on1)C(C)C ZINC000284966390 171538345 /nfs/dbraw/zinc/53/83/45/171538345.db2.gz FOWVCPYUDWYEQF-QWRGUYRKSA-N 1 0 210.321 3.068 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1cc(C)on1)C(C)C ZINC000284966393 359319207 /nfs/dbraw/zinc/31/92/07/359319207.db2.gz FOWVCPYUDWYEQF-WDEREUQCSA-N 1 0 210.321 3.068 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000285480274 387267520 /nfs/dbraw/zinc/26/75/20/387267520.db2.gz BKDSXOYMJAUPQU-AAEUAGOBSA-N 1 0 241.375 3.409 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000285480276 387269148 /nfs/dbraw/zinc/26/91/48/387269148.db2.gz BKDSXOYMJAUPQU-DGCLKSJQSA-N 1 0 241.375 3.409 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCc1cccs1 ZINC000285480278 180935525 /nfs/dbraw/zinc/93/55/25/180935525.db2.gz BKDSXOYMJAUPQU-WCQYABFASA-N 1 0 241.375 3.409 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCc1cccs1 ZINC000285480279 180937314 /nfs/dbraw/zinc/93/73/14/180937314.db2.gz BKDSXOYMJAUPQU-YPMHNXCESA-N 1 0 241.375 3.409 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCO[C@H]1C)c1cccc(C)c1 ZINC000285494469 387267722 /nfs/dbraw/zinc/26/77/22/387267722.db2.gz ANNNRRIPMYNXLL-AEGPPILISA-N 1 0 233.355 3.213 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCO[C@H]1C)c1cccc(C)c1 ZINC000285494474 387268208 /nfs/dbraw/zinc/26/82/08/387268208.db2.gz ANNNRRIPMYNXLL-QEJZJMRPSA-N 1 0 233.355 3.213 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCO[C@@H]1C)c1cccc(C)c1 ZINC000285494478 387267855 /nfs/dbraw/zinc/26/78/55/387267855.db2.gz ANNNRRIPMYNXLL-SNPRPXQTSA-N 1 0 233.355 3.213 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCO[C@@H]1C)c1cccc(C)c1 ZINC000285494483 387268919 /nfs/dbraw/zinc/26/89/19/387268919.db2.gz ANNNRRIPMYNXLL-VHDGCEQUSA-N 1 0 233.355 3.213 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000285599778 388536004 /nfs/dbraw/zinc/53/60/04/388536004.db2.gz JQDJNZHBJXBUFQ-KBPBESRZSA-N 1 0 221.319 3.305 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1 ZINC000285599782 388535782 /nfs/dbraw/zinc/53/57/82/388535782.db2.gz JQDJNZHBJXBUFQ-KGLIPLIRSA-N 1 0 221.319 3.305 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000285599784 388536139 /nfs/dbraw/zinc/53/61/39/388536139.db2.gz JQDJNZHBJXBUFQ-UONOGXRCSA-N 1 0 221.319 3.305 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1 ZINC000285599787 180936781 /nfs/dbraw/zinc/93/67/81/180936781.db2.gz JQDJNZHBJXBUFQ-ZIAGYGMSSA-N 1 0 221.319 3.305 10 0 BGAERO CCOC1CC(C[NH2+][C@H](C)c2cccs2)C1 ZINC000285761975 170326037 /nfs/dbraw/zinc/32/60/37/170326037.db2.gz WBYCXWQIKWGVJZ-VOMCLLRMSA-N 1 0 239.384 3.214 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000285797749 387279252 /nfs/dbraw/zinc/27/92/52/387279252.db2.gz VCHPPKIDGMNXOZ-CMPLNLGQSA-N 1 0 227.348 3.366 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000285797753 387279031 /nfs/dbraw/zinc/27/90/31/387279031.db2.gz VCHPPKIDGMNXOZ-JQWIXIFHSA-N 1 0 227.348 3.366 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]Cc1cccs1 ZINC000285797759 180936800 /nfs/dbraw/zinc/93/68/00/180936800.db2.gz VCHPPKIDGMNXOZ-PWSUYJOCSA-N 1 0 227.348 3.366 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]Cc1cccs1 ZINC000285797761 387278909 /nfs/dbraw/zinc/27/89/09/387278909.db2.gz VCHPPKIDGMNXOZ-ZYHUDNBSSA-N 1 0 227.348 3.366 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000285798099 387277620 /nfs/dbraw/zinc/27/76/20/387277620.db2.gz VDSIVLRCGZKNRZ-NEPJUHHUSA-N 1 0 227.348 3.366 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000285798103 387279479 /nfs/dbraw/zinc/27/94/79/387279479.db2.gz VDSIVLRCGZKNRZ-NWDGAFQWSA-N 1 0 227.348 3.366 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccsc1 ZINC000285798106 387278601 /nfs/dbraw/zinc/27/86/01/387278601.db2.gz VDSIVLRCGZKNRZ-RYUDHWBXSA-N 1 0 227.348 3.366 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]Cc1ccsc1 ZINC000285798111 387278455 /nfs/dbraw/zinc/27/84/55/387278455.db2.gz VDSIVLRCGZKNRZ-VXGBXAGGSA-N 1 0 227.348 3.366 10 0 BGAERO Cc1csc(C[NH2+][C@@H]2CCC[C@@H]2CCF)n1 ZINC000285880962 387289017 /nfs/dbraw/zinc/28/90/17/387289017.db2.gz ZLDZCAQXJXXVLN-GHMZBOCLSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1csc(C[NH2+][C@H]2CCC[C@@H]2CCF)n1 ZINC000285880965 387289059 /nfs/dbraw/zinc/28/90/59/387289059.db2.gz ZLDZCAQXJXXVLN-MNOVXSKESA-N 1 0 242.363 3.069 10 0 BGAERO Cc1csc(C[NH2+][C@H]2CCC[C@H]2CCF)n1 ZINC000285880968 387289347 /nfs/dbraw/zinc/28/93/47/387289347.db2.gz ZLDZCAQXJXXVLN-QWRGUYRKSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1csc(C[NH2+][C@@H]2CCC[C@H]2CCF)n1 ZINC000285880972 387289895 /nfs/dbraw/zinc/28/98/95/387289895.db2.gz ZLDZCAQXJXXVLN-WDEREUQCSA-N 1 0 242.363 3.069 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000285885203 387289248 /nfs/dbraw/zinc/28/92/48/387289248.db2.gz ZSJZVKYUSXEDBH-CHWSQXEVSA-N 1 0 241.375 3.409 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000285885205 180937253 /nfs/dbraw/zinc/93/72/53/180937253.db2.gz ZSJZVKYUSXEDBH-OLZOCXBDSA-N 1 0 241.375 3.409 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccsc1 ZINC000285885207 387289144 /nfs/dbraw/zinc/28/91/44/387289144.db2.gz ZSJZVKYUSXEDBH-QWHCGFSZSA-N 1 0 241.375 3.409 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccsc1 ZINC000285885208 180935796 /nfs/dbraw/zinc/93/57/96/180935796.db2.gz ZSJZVKYUSXEDBH-STQMWFEESA-N 1 0 241.375 3.409 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cscc1Br ZINC000286545478 643151361 /nfs/dbraw/zinc/15/13/61/643151361.db2.gz OLJVCCDKDCVXRK-HZGVNTEJSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cscc1Br ZINC000286545480 177386439 /nfs/dbraw/zinc/38/64/39/177386439.db2.gz OLJVCCDKDCVXRK-IMTBSYHQSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cscc1Br ZINC000286545483 643152404 /nfs/dbraw/zinc/15/24/04/643152404.db2.gz OLJVCCDKDCVXRK-MUWHJKNJSA-N 1 0 246.173 3.009 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cscc1Br ZINC000286545487 177349663 /nfs/dbraw/zinc/34/96/63/177349663.db2.gz OLJVCCDKDCVXRK-RCOVLWMOSA-N 1 0 246.173 3.009 10 0 BGAERO CCC[NH2+][C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287148456 169287623 /nfs/dbraw/zinc/28/76/23/169287623.db2.gz ZSNXEFXSDNKSTI-SECBINFHSA-N 1 0 237.372 3.004 10 0 BGAERO CCC[NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287148461 169276408 /nfs/dbraw/zinc/27/64/08/169276408.db2.gz ZSNXEFXSDNKSTI-VIFPVBQESA-N 1 0 237.372 3.004 10 0 BGAERO CC[C@@H]([NH2+]CCc1ccncc1)C(C)(C)C ZINC000289244114 170897017 /nfs/dbraw/zinc/89/70/17/170897017.db2.gz MZTKDMHYFHREBW-CYBMUJFWSA-N 1 0 220.360 3.038 10 0 BGAERO CC[C@H]([NH2+]CCc1ccncc1)C(C)(C)C ZINC000289244117 384837304 /nfs/dbraw/zinc/83/73/04/384837304.db2.gz MZTKDMHYFHREBW-ZDUSSCGKSA-N 1 0 220.360 3.038 10 0 BGAERO CC[C@H]([NH2+]CCc1nccs1)C(C)(C)C ZINC000289312522 171524383 /nfs/dbraw/zinc/52/43/83/171524383.db2.gz TXNLPHSWYUFDOW-JTQLQIEISA-N 1 0 226.389 3.100 10 0 BGAERO CC[C@@H]([NH2+]CCc1nccs1)C(C)(C)C ZINC000289312534 383981503 /nfs/dbraw/zinc/98/15/03/383981503.db2.gz TXNLPHSWYUFDOW-SNVBAGLBSA-N 1 0 226.389 3.100 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c2ccccc21 ZINC000289321258 383980023 /nfs/dbraw/zinc/98/00/23/383980023.db2.gz UQTWXTCMZXFCAA-BYCMXARLSA-N 1 0 247.382 3.232 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c2ccccc21 ZINC000289321260 176376684 /nfs/dbraw/zinc/37/66/84/176376684.db2.gz UQTWXTCMZXFCAA-DFBGVHRSSA-N 1 0 247.382 3.232 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c2ccccc21 ZINC000289321263 176376735 /nfs/dbraw/zinc/37/67/35/176376735.db2.gz UQTWXTCMZXFCAA-KCPJHIHWSA-N 1 0 247.382 3.232 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c2ccccc21 ZINC000289321265 176422598 /nfs/dbraw/zinc/42/25/98/176422598.db2.gz UQTWXTCMZXFCAA-UGFHNGPFSA-N 1 0 247.382 3.232 10 0 BGAERO CC[C@H]([NH2+]C[C@@H](O)c1ccsc1)C(C)(C)C ZINC000289362117 384961981 /nfs/dbraw/zinc/96/19/81/384961981.db2.gz ZIVMBLHFEAGIPP-NEPJUHHUSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@@H]([NH2+]C[C@H](O)c1ccsc1)C(C)(C)C ZINC000289362122 346167311 /nfs/dbraw/zinc/16/73/11/346167311.db2.gz ZIVMBLHFEAGIPP-NWDGAFQWSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@H]([NH2+]C[C@H](O)c1ccsc1)C(C)(C)C ZINC000289362126 384961112 /nfs/dbraw/zinc/96/11/12/384961112.db2.gz ZIVMBLHFEAGIPP-RYUDHWBXSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H](O)c1ccsc1)C(C)(C)C ZINC000289362130 384962769 /nfs/dbraw/zinc/96/27/69/384962769.db2.gz ZIVMBLHFEAGIPP-VXGBXAGGSA-N 1 0 241.400 3.196 10 0 BGAERO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000289748758 386350398 /nfs/dbraw/zinc/35/03/98/386350398.db2.gz FGNFMKROQZULAX-CYBMUJFWSA-N 1 0 243.354 3.186 10 0 BGAERO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000289748764 386349053 /nfs/dbraw/zinc/34/90/53/386349053.db2.gz FGNFMKROQZULAX-ZDUSSCGKSA-N 1 0 243.354 3.186 10 0 BGAERO Cc1cn[nH]c1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000289872108 386365258 /nfs/dbraw/zinc/36/52/58/386365258.db2.gz LUSJQDHIUKYPOS-CYBMUJFWSA-N 1 0 243.354 3.186 10 0 BGAERO Cc1cn[nH]c1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000289872112 386364036 /nfs/dbraw/zinc/36/40/36/386364036.db2.gz LUSJQDHIUKYPOS-ZDUSSCGKSA-N 1 0 243.354 3.186 10 0 BGAERO COC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000289892794 174586186 /nfs/dbraw/zinc/58/61/86/174586186.db2.gz TVMJIXXRLYPSSC-BIMULSAOSA-N 1 0 239.746 3.026 10 0 BGAERO COC[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000289892796 385967877 /nfs/dbraw/zinc/96/78/77/385967877.db2.gz TVMJIXXRLYPSSC-ICCXJUOJSA-N 1 0 239.746 3.026 10 0 BGAERO COC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000289892799 385967715 /nfs/dbraw/zinc/96/77/15/385967715.db2.gz TVMJIXXRLYPSSC-WQAKAFBOSA-N 1 0 239.746 3.026 10 0 BGAERO COC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(Cl)c1 ZINC000289892800 385966955 /nfs/dbraw/zinc/96/69/55/385966955.db2.gz TVMJIXXRLYPSSC-XDTLVQLUSA-N 1 0 239.746 3.026 10 0 BGAERO COc1cncc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000289938868 175385544 /nfs/dbraw/zinc/38/55/44/175385544.db2.gz OQICODANGRBHTN-JTQLQIEISA-N 1 0 248.351 3.003 10 0 BGAERO CC(C)C1([NH2+]Cc2cccc(Cl)n2)CC1 ZINC000292988908 388385346 /nfs/dbraw/zinc/38/53/46/388385346.db2.gz MANSBCMMOBMRQE-UHFFFAOYSA-N 1 0 224.735 3.013 10 0 BGAERO COc1ccc(CC[NH2+]C2(C(C)C)CC2)cc1 ZINC000292991952 175091469 /nfs/dbraw/zinc/09/14/69/175091469.db2.gz MHQMHAUTVUEHDA-UHFFFAOYSA-N 1 0 233.355 3.016 10 0 BGAERO CC(C)C1([NH2+][C@H]2C[C@H]2c2ccccc2)CC1 ZINC000293056519 387886452 /nfs/dbraw/zinc/88/64/52/387886452.db2.gz RWXBJARVTRDBEB-KBPBESRZSA-N 1 0 215.340 3.321 10 0 BGAERO CC(C)C1([NH2+][C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000293056523 166753418 /nfs/dbraw/zinc/75/34/18/166753418.db2.gz RWXBJARVTRDBEB-KGLIPLIRSA-N 1 0 215.340 3.321 10 0 BGAERO CC(C)C1([NH2+][C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000293056527 387886404 /nfs/dbraw/zinc/88/64/04/387886404.db2.gz RWXBJARVTRDBEB-UONOGXRCSA-N 1 0 215.340 3.321 10 0 BGAERO CC(C)C1([NH2+][C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000293056531 166754975 /nfs/dbraw/zinc/75/49/75/166754975.db2.gz RWXBJARVTRDBEB-ZIAGYGMSSA-N 1 0 215.340 3.321 10 0 BGAERO CC(C)C1([NH2+]Cc2ccnc(Cl)c2)CC1 ZINC000293056626 166752089 /nfs/dbraw/zinc/75/20/89/166752089.db2.gz RXPGPBDSQGMLNB-UHFFFAOYSA-N 1 0 224.735 3.013 10 0 BGAERO CC(C)C1([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000293145745 388387041 /nfs/dbraw/zinc/38/70/41/388387041.db2.gz UPKBRCRFAHPIAG-CYBMUJFWSA-N 1 0 215.340 3.105 10 0 BGAERO CC(C)C1([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000293145746 166753310 /nfs/dbraw/zinc/75/33/10/166753310.db2.gz UPKBRCRFAHPIAG-ZDUSSCGKSA-N 1 0 215.340 3.105 10 0 BGAERO CO[C@@H](C[NH2+]C1(C(C)C)CC1)c1ccccc1 ZINC000293165360 174732001 /nfs/dbraw/zinc/73/20/01/174732001.db2.gz VWOCFSVSEJFDTN-AWEZNQCLSA-N 1 0 233.355 3.152 10 0 BGAERO CO[C@H](C[NH2+]C1(C(C)C)CC1)c1ccccc1 ZINC000293165361 387957967 /nfs/dbraw/zinc/95/79/67/387957967.db2.gz VWOCFSVSEJFDTN-CQSZACIVSA-N 1 0 233.355 3.152 10 0 BGAERO Cc1ccoc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000293344376 388388093 /nfs/dbraw/zinc/38/80/93/388388093.db2.gz GSRBPROAAUASFK-NEPJUHHUSA-N 1 0 225.307 3.206 10 0 BGAERO Cc1ccoc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000293344379 388388159 /nfs/dbraw/zinc/38/81/59/388388159.db2.gz GSRBPROAAUASFK-NWDGAFQWSA-N 1 0 225.307 3.206 10 0 BGAERO Cc1ccoc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000293344382 388388095 /nfs/dbraw/zinc/38/80/95/388388095.db2.gz GSRBPROAAUASFK-RYUDHWBXSA-N 1 0 225.307 3.206 10 0 BGAERO Cc1ccoc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000293344386 388388005 /nfs/dbraw/zinc/38/80/05/388388005.db2.gz GSRBPROAAUASFK-VXGBXAGGSA-N 1 0 225.307 3.206 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000293618595 386849886 /nfs/dbraw/zinc/84/98/86/386849886.db2.gz MHIYUDCCGPDLPF-KYOSRNDESA-N 1 0 233.355 3.101 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)Cc1ccc(O)cc1 ZINC000293618597 386849399 /nfs/dbraw/zinc/84/93/99/386849399.db2.gz MHIYUDCCGPDLPF-LNSITVRQSA-N 1 0 233.355 3.101 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1ccc(O)cc1 ZINC000293618600 386848021 /nfs/dbraw/zinc/84/80/21/386848021.db2.gz MHIYUDCCGPDLPF-UXIGCNINSA-N 1 0 233.355 3.101 10 0 BGAERO Cc1sccc1C[NH2+][C@@H]1COc2ccccc21 ZINC000293666851 388358194 /nfs/dbraw/zinc/35/81/94/388358194.db2.gz ULRXPLHJGHKSNV-CYBMUJFWSA-N 1 0 245.347 3.280 10 0 BGAERO Cc1sccc1C[NH2+][C@H]1COc2ccccc21 ZINC000293666854 388358047 /nfs/dbraw/zinc/35/80/47/388358047.db2.gz ULRXPLHJGHKSNV-ZDUSSCGKSA-N 1 0 245.347 3.280 10 0 BGAERO CCC[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccsc1 ZINC000293670738 388358312 /nfs/dbraw/zinc/35/83/12/388358312.db2.gz MOIFJOWJQWOWKG-RAIGVLPGSA-N 1 0 239.384 3.356 10 0 BGAERO Cc1nocc1C[NH2+][C@H](C)c1ccc(C)c(C)c1 ZINC000293695914 388359947 /nfs/dbraw/zinc/35/99/47/388359947.db2.gz WRTSGWWLGYCPNC-GFCCVEGCSA-N 1 0 244.338 3.451 10 0 BGAERO Cc1nocc1C[NH2+][C@@H](C)c1ccc(C)c(C)c1 ZINC000293695917 388359561 /nfs/dbraw/zinc/35/95/61/388359561.db2.gz WRTSGWWLGYCPNC-LBPRGKRZSA-N 1 0 244.338 3.451 10 0 BGAERO Cc1nocc1C[NH2+][C@H](C)c1ccc(C)cc1C ZINC000293722865 388401936 /nfs/dbraw/zinc/40/19/36/388401936.db2.gz YRGFQZHODYJNFK-CYBMUJFWSA-N 1 0 244.338 3.451 10 0 BGAERO Cc1nocc1C[NH2+][C@@H](C)c1ccc(C)cc1C ZINC000293722870 388401861 /nfs/dbraw/zinc/40/18/61/388401861.db2.gz YRGFQZHODYJNFK-ZDUSSCGKSA-N 1 0 244.338 3.451 10 0 BGAERO CSCc1cnc(C[NH2+][C@H](C)C(C)C)s1 ZINC000294017058 398305748 /nfs/dbraw/zinc/30/57/48/398305748.db2.gz HEJWJGWRZFWIJE-SECBINFHSA-N 1 0 244.429 3.140 10 0 BGAERO CSCc1cnc(C[NH2+][C@@H](C)C(C)C)s1 ZINC000294017060 398305856 /nfs/dbraw/zinc/30/58/56/398305856.db2.gz HEJWJGWRZFWIJE-VIFPVBQESA-N 1 0 244.429 3.140 10 0 BGAERO Cc1ccccc1N[C@@H]1C[C@H](C)n2ccnc21 ZINC000294059948 179306620 /nfs/dbraw/zinc/30/66/20/179306620.db2.gz KAMNCEOJYPKJGS-WCQYABFASA-N 1 0 227.311 3.309 10 0 BGAERO Cc1ccccc1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000294059949 179306709 /nfs/dbraw/zinc/30/67/09/179306709.db2.gz KAMNCEOJYPKJGS-YPMHNXCESA-N 1 0 227.311 3.309 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCCC[C@H]2O)cs1 ZINC000294085043 178257664 /nfs/dbraw/zinc/25/76/64/178257664.db2.gz APYVBZNOOIIXNI-WCFLWFBJSA-N 1 0 239.384 3.011 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]Cc2conc2C)cc1 ZINC000294153982 388395491 /nfs/dbraw/zinc/39/54/91/388395491.db2.gz OYTPJBONTNVJKO-LLVKDONJSA-N 1 0 244.338 3.396 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]Cc2conc2C)cc1 ZINC000294153985 388395235 /nfs/dbraw/zinc/39/52/35/388395235.db2.gz OYTPJBONTNVJKO-NSHDSACASA-N 1 0 244.338 3.396 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@H](C)[C@H]2CCCO2)cs1 ZINC000294180715 178257305 /nfs/dbraw/zinc/25/73/05/178257305.db2.gz KBOUPQRVDNBRJR-DMDPSCGWSA-N 1 0 239.384 3.275 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@H]2CCCO2)cs1 ZINC000294180718 178253806 /nfs/dbraw/zinc/25/38/06/178253806.db2.gz KBOUPQRVDNBRJR-GMXVVIOVSA-N 1 0 239.384 3.275 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@@H](C)[C@@H]2CCCO2)cs1 ZINC000294180722 178253605 /nfs/dbraw/zinc/25/36/05/178253605.db2.gz KBOUPQRVDNBRJR-GVXVVHGQSA-N 1 0 239.384 3.275 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@H](C)[C@@H]2CCCO2)cs1 ZINC000294180724 178255437 /nfs/dbraw/zinc/25/54/37/178255437.db2.gz KBOUPQRVDNBRJR-LOWVWBTDSA-N 1 0 239.384 3.275 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1cccc(O)c1Cl ZINC000294224518 384681496 /nfs/dbraw/zinc/68/14/96/384681496.db2.gz SMXTZJLVUHTLCS-VIFPVBQESA-N 1 0 227.735 3.180 10 0 BGAERO Cc1nocc1C[NH2+][C@@H](C)c1ccccc1C ZINC000294298589 179339716 /nfs/dbraw/zinc/33/97/16/179339716.db2.gz WULFTUUFZMLLLP-LBPRGKRZSA-N 1 0 230.311 3.142 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccsc1 ZINC000294459389 388399947 /nfs/dbraw/zinc/39/99/47/388399947.db2.gz UAJIJSTXLLQXIH-DRZSPHRISA-N 1 0 239.384 3.356 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccsc1 ZINC000294459395 388400657 /nfs/dbraw/zinc/40/06/57/388400657.db2.gz UAJIJSTXLLQXIH-KGYLQXTDSA-N 1 0 239.384 3.356 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccsc1 ZINC000294459397 171538264 /nfs/dbraw/zinc/53/82/64/171538264.db2.gz UAJIJSTXLLQXIH-WCFLWFBJSA-N 1 0 239.384 3.356 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccsc1 ZINC000294459403 388399882 /nfs/dbraw/zinc/39/98/82/388399882.db2.gz UAJIJSTXLLQXIH-WXHSDQCUSA-N 1 0 239.384 3.356 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000294648371 177334693 /nfs/dbraw/zinc/33/46/93/177334693.db2.gz QLXGZZCQROCSIE-KXNHARMFSA-N 1 0 239.384 3.355 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@@H](C)O[C@@H](C)C1)c1cccs1 ZINC000294648387 177333866 /nfs/dbraw/zinc/33/38/66/177333866.db2.gz QLXGZZCQROCSIE-WHOHXGKFSA-N 1 0 239.384 3.355 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000294743886 178897173 /nfs/dbraw/zinc/89/71/73/178897173.db2.gz XCFQGKVAWWMBIQ-QNWHQSFQSA-N 1 0 237.343 3.195 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000294743888 385890403 /nfs/dbraw/zinc/89/04/03/385890403.db2.gz XCFQGKVAWWMBIQ-XQHKEYJVSA-N 1 0 237.343 3.195 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295466666 169539155 /nfs/dbraw/zinc/53/91/55/169539155.db2.gz QLOIWAWUCFMZLD-DZGCQCFKSA-N 1 0 247.382 3.192 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295466687 388412019 /nfs/dbraw/zinc/41/20/19/388412019.db2.gz QLOIWAWUCFMZLD-HIFRSBDPSA-N 1 0 247.382 3.192 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295466712 388412292 /nfs/dbraw/zinc/41/22/92/388412292.db2.gz QLOIWAWUCFMZLD-UKRRQHHQSA-N 1 0 247.382 3.192 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295466732 388412324 /nfs/dbraw/zinc/41/23/24/388412324.db2.gz QLOIWAWUCFMZLD-ZFWWWQNUSA-N 1 0 247.382 3.192 10 0 BGAERO Cc1cc([C@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cs1 ZINC000297576203 178248418 /nfs/dbraw/zinc/24/84/18/178248418.db2.gz GXBOCXNHCXUHRG-CMPLNLGQSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1cc([C@H](C)[NH2+]C[C@H](O)C(C)(C)C)cs1 ZINC000297576207 178251074 /nfs/dbraw/zinc/25/10/74/178251074.db2.gz GXBOCXNHCXUHRG-JQWIXIFHSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1cc([C@@H](C)[NH2+]C[C@H](O)C(C)(C)C)cs1 ZINC000297576210 178226204 /nfs/dbraw/zinc/22/62/04/178226204.db2.gz GXBOCXNHCXUHRG-PWSUYJOCSA-N 1 0 241.400 3.114 10 0 BGAERO Cc1cc([C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C)cs1 ZINC000297576214 178227803 /nfs/dbraw/zinc/22/78/03/178227803.db2.gz GXBOCXNHCXUHRG-ZYHUDNBSSA-N 1 0 241.400 3.114 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(O)c(OCC)c1 ZINC000297654705 169433880 /nfs/dbraw/zinc/43/38/80/169433880.db2.gz NLJYURQUEHXXJW-OLZOCXBDSA-N 1 0 249.354 3.069 10 0 BGAERO CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccsc1 ZINC000297677218 170900272 /nfs/dbraw/zinc/90/02/72/170900272.db2.gz LHSHXNOGRONEJQ-NEPJUHHUSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccsc1 ZINC000297677222 388430230 /nfs/dbraw/zinc/43/02/30/388430230.db2.gz LHSHXNOGRONEJQ-NWDGAFQWSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccsc1 ZINC000297677226 388430152 /nfs/dbraw/zinc/43/01/52/388430152.db2.gz LHSHXNOGRONEJQ-RYUDHWBXSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccsc1 ZINC000297677229 388430361 /nfs/dbraw/zinc/43/03/61/388430361.db2.gz LHSHXNOGRONEJQ-VXGBXAGGSA-N 1 0 241.400 3.196 10 0 BGAERO CC[C@@]12C[C@H]3C[C@H](c4ccc(O)cc41)[C@@H](C2)[N@@H+]3C ZINC000299849788 358420103 /nfs/dbraw/zinc/42/01/03/358420103.db2.gz WVSDGILFXSXWGV-NMFKLSHFSA-N 1 0 243.350 3.004 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000299891514 344117362 /nfs/dbraw/zinc/11/73/62/344117362.db2.gz VUTZMJDQHDPFNQ-AAVRWANBSA-N 1 0 227.392 3.072 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000299891515 344117377 /nfs/dbraw/zinc/11/73/77/344117377.db2.gz VUTZMJDQHDPFNQ-RFQIPJPRSA-N 1 0 227.392 3.072 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000299891516 344117417 /nfs/dbraw/zinc/11/74/17/344117417.db2.gz VUTZMJDQHDPFNQ-YIYPIFLZSA-N 1 0 227.392 3.072 10 0 BGAERO Cc1sccc1[C@@H]1C[C@H](C)CC[C@H]1[NH3+] ZINC000299897693 349277563 /nfs/dbraw/zinc/27/75/63/349277563.db2.gz MIYSAYMGOATXIT-JFUSQASVSA-N 1 0 209.358 3.287 10 0 BGAERO Cc1sccc1[C@@H]1C[C@@H](C)CC[C@H]1[NH3+] ZINC000299897694 349277307 /nfs/dbraw/zinc/27/73/07/349277307.db2.gz MIYSAYMGOATXIT-KPXOXKRLSA-N 1 0 209.358 3.287 10 0 BGAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)[C@@H]2CCCO2)C1 ZINC000300014657 168131291 /nfs/dbraw/zinc/13/12/91/168131291.db2.gz BIQZCGMJHWVSDL-ATGSNQNLSA-N 1 0 237.387 3.136 10 0 BGAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@@H](C)[C@H]2CCCO2)C1 ZINC000300014658 168131213 /nfs/dbraw/zinc/13/12/13/168131213.db2.gz BIQZCGMJHWVSDL-CYUUQNCZSA-N 1 0 237.387 3.136 10 0 BGAERO CC1=C[C@H](C)C[C@H](C[NH2+][C@H](C)[C@H]2CCCO2)C1 ZINC000300014659 168131285 /nfs/dbraw/zinc/13/12/85/168131285.db2.gz BIQZCGMJHWVSDL-PMOUVXMZSA-N 1 0 237.387 3.136 10 0 BGAERO CC1=C[C@H](C)C[C@H](C[NH2+]CC[C@H]2CCCO2)C1 ZINC000300015050 490320452 /nfs/dbraw/zinc/32/04/52/490320452.db2.gz FPUULFLVZXRPPV-AEGPPILISA-N 1 0 237.387 3.138 10 0 BGAERO CC1=C[C@H](C)C[C@@H](C[NH2+]CC[C@H]2CCCO2)C1 ZINC000300015052 490548710 /nfs/dbraw/zinc/54/87/10/490548710.db2.gz FPUULFLVZXRPPV-NWANDNLSSA-N 1 0 237.387 3.138 10 0 BGAERO C[NH2+][C@@H](c1ccc(Cl)o1)C1=CCCC1 ZINC000300060295 357184114 /nfs/dbraw/zinc/18/41/14/357184114.db2.gz ZYTBYMNJVITAET-LLVKDONJSA-N 1 0 211.692 3.304 10 0 BGAERO C[C@H]1C[C@H]([C@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)C1 ZINC000300060872 537803663 /nfs/dbraw/zinc/80/36/63/537803663.db2.gz IRBCHYBMQANYJI-MEBFFEOJSA-N 1 0 209.377 3.304 10 0 BGAERO C[C@H]1CC([C@H]2C[NH2+]C[C@@H](C)C2)C[C@H](C)C1 ZINC000300060874 537804598 /nfs/dbraw/zinc/80/45/98/537804598.db2.gz IRBCHYBMQANYJI-NRWUCQMLSA-N 1 0 209.377 3.304 10 0 BGAERO C[C@H]1C[C@H]([C@@H]2C[NH2+]C[C@@H](C)C2)C[C@@H](C)C1 ZINC000300060876 537805117 /nfs/dbraw/zinc/80/51/17/537805117.db2.gz IRBCHYBMQANYJI-VJTDZRGJSA-N 1 0 209.377 3.304 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H](C2C[C@@H](C)C[C@H](C)C2)C1 ZINC000300060878 537804199 /nfs/dbraw/zinc/80/41/99/537804199.db2.gz IRBCHYBMQANYJI-ZJQBRPOHSA-N 1 0 209.377 3.304 10 0 BGAERO C[C@@H]1C[C@H]([C@H]2C[NH2+]C[C@@H](C)C2)CC[C@@H]1C ZINC000300061277 537804918 /nfs/dbraw/zinc/80/49/18/537804918.db2.gz LRVGEGVBWQLSNT-ODXJTPSBSA-N 1 0 209.377 3.304 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H]([C@@H]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000300061278 537803426 /nfs/dbraw/zinc/80/34/26/537803426.db2.gz LRVGEGVBWQLSNT-QSLWVIQJSA-N 1 0 209.377 3.304 10 0 BGAERO C[C@@H]1CC[C@@H]([C@H]2C[NH2+]C[C@@H](C)C2)C[C@H]1C ZINC000300061279 537805026 /nfs/dbraw/zinc/80/50/26/537805026.db2.gz LRVGEGVBWQLSNT-RYMFRWLXSA-N 1 0 209.377 3.304 10 0 BGAERO CC[C@@H]1CS[C@@]2(CC(C)(C)C[C@H]2C)[NH2+]1 ZINC000300061330 357184463 /nfs/dbraw/zinc/18/44/63/357184463.db2.gz INRORZOYKOUOMO-CKYFFXLPSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CS[C@]2(CC(C)(C)C[C@H]2C)[NH2+]1 ZINC000300061331 357184401 /nfs/dbraw/zinc/18/44/01/357184401.db2.gz INRORZOYKOUOMO-FOGDFJRCSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]12[NH2+][C@H](C)CCS2 ZINC000300063080 357182976 /nfs/dbraw/zinc/18/29/76/357182976.db2.gz QVOMMZMAFLQYRK-CKYFFXLPSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]12[NH2+][C@H](C)CCS2 ZINC000300063081 357183028 /nfs/dbraw/zinc/18/30/28/357183028.db2.gz QVOMMZMAFLQYRK-FOGDFJRCSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]12[NH2+][C@H](C)CCS2 ZINC000300063082 357183377 /nfs/dbraw/zinc/18/33/77/357183377.db2.gz QVOMMZMAFLQYRK-HOSYDEDBSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]12[NH2+][C@H](C)CCS2 ZINC000300063083 357183520 /nfs/dbraw/zinc/18/35/20/357183520.db2.gz QVOMMZMAFLQYRK-UMNHJUIQSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@H]1[NH2+][C@@H]1CCCCC[C@H]1O ZINC000300141261 344399844 /nfs/dbraw/zinc/39/98/44/344399844.db2.gz RJHFAJHQMADXDJ-YIYPIFLZSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1ccoc1Br ZINC000300204317 358499569 /nfs/dbraw/zinc/49/95/69/358499569.db2.gz NTSXFGFQYNVWRW-SSDOTTSWSA-N 1 0 232.121 3.088 10 0 BGAERO CCc1ccc([C@@H]([NH3+])[C@H]2CC2(C)C)s1 ZINC000300223528 352557001 /nfs/dbraw/zinc/55/70/01/352557001.db2.gz DLCYJYZMBDTPLZ-KOLCDFICSA-N 1 0 209.358 3.356 10 0 BGAERO CCc1ccc([C@@H]([NH3+])[C@@H]2CC2(C)C)s1 ZINC000300223529 358568786 /nfs/dbraw/zinc/56/87/86/358568786.db2.gz DLCYJYZMBDTPLZ-ONGXEEELSA-N 1 0 209.358 3.356 10 0 BGAERO C[NH2+][C@H](c1ccc(C)s1)[C@@H]1CC1(C)C ZINC000300224442 358568893 /nfs/dbraw/zinc/56/88/93/358568893.db2.gz NFBIALLHMKIIJR-ONGXEEELSA-N 1 0 209.358 3.363 10 0 BGAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1c1sccc1Cl ZINC000300238780 358590439 /nfs/dbraw/zinc/59/04/39/358590439.db2.gz SMYBIXRTRAIPIB-LKEWCRSYSA-N 1 0 215.749 3.242 10 0 BGAERO C[C@H]1[C@H](c2sccc2Cl)CC[C@@H]1[NH3+] ZINC000300238781 358590156 /nfs/dbraw/zinc/59/01/56/358590156.db2.gz SMYBIXRTRAIPIB-OOZYFLPDSA-N 1 0 215.749 3.242 10 0 BGAERO CC(C)C[C@H](O)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000300239886 583937568 /nfs/dbraw/zinc/93/75/68/583937568.db2.gz MIXLJCMIESFLGC-IHRRRGAJSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](O)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000300239887 583937519 /nfs/dbraw/zinc/93/75/19/583937519.db2.gz MIXLJCMIESFLGC-MJBXVCDLSA-N 1 0 241.419 3.198 10 0 BGAERO COC[C@H](C)[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300240476 490553438 /nfs/dbraw/zinc/55/34/38/490553438.db2.gz DXEQZRWYBAYGFQ-BFHYXJOUSA-N 1 0 227.392 3.216 10 0 BGAERO COC[C@H](C)[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000300240477 490553296 /nfs/dbraw/zinc/55/32/96/490553296.db2.gz DXEQZRWYBAYGFQ-MJBXVCDLSA-N 1 0 227.392 3.216 10 0 BGAERO CO[C@H](C)C[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000300241111 226368959 /nfs/dbraw/zinc/36/89/59/226368959.db2.gz HXGFVODDIGZREG-MCIONIFRSA-N 1 0 227.392 3.216 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1CCC[C@H](CC(C)C)C1 ZINC000300241113 226368776 /nfs/dbraw/zinc/36/87/76/226368776.db2.gz HXGFVODDIGZREG-MGPQQGTHSA-N 1 0 227.392 3.216 10 0 BGAERO COC[C@H]([NH2+]C[C@H]1CCC[C@H]1C)c1ccccc1 ZINC000300305246 533092880 /nfs/dbraw/zinc/09/28/80/533092880.db2.gz CWYWOUGHZDASJD-BMFZPTHFSA-N 1 0 247.382 3.400 10 0 BGAERO COC[C@H]([NH2+]C[C@@H]1CCC[C@H]1C)c1ccccc1 ZINC000300305247 533089299 /nfs/dbraw/zinc/08/92/99/533089299.db2.gz CWYWOUGHZDASJD-KBMXLJTQSA-N 1 0 247.382 3.400 10 0 BGAERO COC[C@H]([NH2+]C[C@H]1CC[C@H](C)C1)c1ccccc1 ZINC000300308914 174581751 /nfs/dbraw/zinc/58/17/51/174581751.db2.gz LOYYDTBDGLVEBP-DZKIICNBSA-N 1 0 247.382 3.400 10 0 BGAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000300310026 387932162 /nfs/dbraw/zinc/93/21/62/387932162.db2.gz QZSFXKYXDYIASR-AJNGGQMLSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000300310027 528381991 /nfs/dbraw/zinc/38/19/91/528381991.db2.gz QZSFXKYXDYIASR-QPSCCSFWSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000300310028 387932215 /nfs/dbraw/zinc/93/22/15/387932215.db2.gz QZSFXKYXDYIASR-ZQDZILKHSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)C1 ZINC000300316021 490555446 /nfs/dbraw/zinc/55/54/46/490555446.db2.gz MKUULAQBLJWFLQ-BARDWOONSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)C1 ZINC000300316022 490555623 /nfs/dbraw/zinc/55/56/23/490555623.db2.gz MKUULAQBLJWFLQ-CBBWQLFWSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCC[C@H](O)C2)C1 ZINC000300316023 490555518 /nfs/dbraw/zinc/55/55/18/490555518.db2.gz MKUULAQBLJWFLQ-QPSCCSFWSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2O)C1 ZINC000300316324 528690436 /nfs/dbraw/zinc/69/04/36/528690436.db2.gz PCMSKMFZIOBJRT-CBBWQLFWSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@@H]1CCC[C@H](C(C)C)C1 ZINC000300316552 528549477 /nfs/dbraw/zinc/54/94/77/528549477.db2.gz SLMUJELXVJKBHY-RRFJBIMHSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)C[C@H](CO)[NH2+][C@H]1CCC[C@H](C(C)C)C1 ZINC000300316553 528551075 /nfs/dbraw/zinc/55/10/75/528551075.db2.gz SLMUJELXVJKBHY-SOUVJXGZSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000300316842 490555652 /nfs/dbraw/zinc/55/56/52/490555652.db2.gz WWDAWYGAGIBHNW-QLFBSQMISA-N 1 0 239.403 3.360 10 0 BGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1 ZINC000300316843 490555483 /nfs/dbraw/zinc/55/54/83/490555483.db2.gz WWDAWYGAGIBHNW-RBSFLKMASA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000300333959 358963928 /nfs/dbraw/zinc/96/39/28/358963928.db2.gz UZBBCYBTFFMYQD-BJDJZHNGSA-N 1 0 213.390 3.049 10 0 BGAERO C[C@H]1SCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000300333960 358963532 /nfs/dbraw/zinc/96/35/32/358963532.db2.gz UZBBCYBTFFMYQD-DDHJBXDOSA-N 1 0 213.390 3.049 10 0 BGAERO C[C@@H]1SCC[C@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000300333961 358963875 /nfs/dbraw/zinc/96/38/75/358963875.db2.gz UZBBCYBTFFMYQD-FIQHERPVSA-N 1 0 213.390 3.049 10 0 BGAERO C[C@H]1SCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C)CC1 ZINC000300333962 358963675 /nfs/dbraw/zinc/96/36/75/358963675.db2.gz UZBBCYBTFFMYQD-KKOKHZNYSA-N 1 0 213.390 3.049 10 0 BGAERO CC(C)[C@H](C)S[C@H]1CCCC[C@H]1[NH3+] ZINC000300338604 358963705 /nfs/dbraw/zinc/96/37/05/358963705.db2.gz JFFWXIZMJGETLH-AXFHLTTASA-N 1 0 201.379 3.034 10 0 BGAERO CC(C)[C@H](C)S[C@@H]1CCCC[C@H]1[NH3+] ZINC000300338605 358963570 /nfs/dbraw/zinc/96/35/70/358963570.db2.gz JFFWXIZMJGETLH-HBNTYKKESA-N 1 0 201.379 3.034 10 0 BGAERO C[NH2+][C@@H](c1ccc(Cl)cc1C)C1CC1 ZINC000300349194 352559480 /nfs/dbraw/zinc/55/94/80/352559480.db2.gz ZGDNDWGOOCQXBH-GFCCVEGCSA-N 1 0 209.720 3.319 10 0 BGAERO CC(C)[C@H](C[NH2+][C@H]1C[C@H]1C)c1ccccc1 ZINC000300350258 387942770 /nfs/dbraw/zinc/94/27/70/387942770.db2.gz UQSMHDNZCRUWBK-SNPRPXQTSA-N 1 0 217.356 3.424 10 0 BGAERO CC(C)[C@H](C[NH2+][C@@H]1C[C@H]1C)c1ccccc1 ZINC000300350259 387943513 /nfs/dbraw/zinc/94/35/13/387943513.db2.gz UQSMHDNZCRUWBK-VHDGCEQUSA-N 1 0 217.356 3.424 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]1C[C@@H]1[C@H](C)[NH3+] ZINC000300351381 358970965 /nfs/dbraw/zinc/97/09/65/358970965.db2.gz YMMXNYCZDQMKBD-AXTRIDKLSA-N 1 0 209.720 3.099 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]1C[C@H]1[C@H](C)[NH3+] ZINC000300351382 358970496 /nfs/dbraw/zinc/97/04/96/358970496.db2.gz YMMXNYCZDQMKBD-UWJYBYFXSA-N 1 0 209.720 3.099 10 0 BGAERO CC[C@H]1[C@H](c2csc(Cl)c2)C[C@@H]1[NH3+] ZINC000300353692 358971963 /nfs/dbraw/zinc/97/19/63/358971963.db2.gz NUCFCALTDFSVSC-CIUDSAMLSA-N 1 0 215.749 3.242 10 0 BGAERO CC[C@@H]1[C@H]([NH3+])C[C@H]1c1csc(Cl)c1 ZINC000300353693 358972019 /nfs/dbraw/zinc/97/20/19/358972019.db2.gz NUCFCALTDFSVSC-XHNCKOQMSA-N 1 0 215.749 3.242 10 0 BGAERO C[NH2+][C@@H]1C[C@H](c2csc(Cl)c2)[C@H]1C ZINC000300353844 358971957 /nfs/dbraw/zinc/97/19/57/358971957.db2.gz PSDPEGNJKAXVTK-BWVDBABLSA-N 1 0 215.749 3.113 10 0 BGAERO C[NH2+][C@@H]1C[C@@H](c2csc(Cl)c2)[C@H]1C ZINC000300353845 358971544 /nfs/dbraw/zinc/97/15/44/358971544.db2.gz PSDPEGNJKAXVTK-FTLITQJKSA-N 1 0 215.749 3.113 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2occc21 ZINC000300366256 384700214 /nfs/dbraw/zinc/70/02/14/384700214.db2.gz KUDREXQGYNJBAB-KGYLQXTDSA-N 1 0 219.328 3.435 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2occc21 ZINC000300366257 384700531 /nfs/dbraw/zinc/70/05/31/384700531.db2.gz KUDREXQGYNJBAB-WXHSDQCUSA-N 1 0 219.328 3.435 10 0 BGAERO CCS[C@@H]1CCC[C@@H]1[NH2+][C@H](C)C(C)C ZINC000300382377 346575456 /nfs/dbraw/zinc/57/54/56/346575456.db2.gz GKLDYTVOKAQYSV-GRYCIOLGSA-N 1 0 215.406 3.295 10 0 BGAERO CCS[C@@H]1CCC[C@H]1[NH2+][C@H](C)C(C)C ZINC000300382379 346575961 /nfs/dbraw/zinc/57/59/61/346575961.db2.gz GKLDYTVOKAQYSV-IJLUTSLNSA-N 1 0 215.406 3.295 10 0 BGAERO CCS[C@@H]1CCC[C@H]1[NH2+][C@@H](C)C(C)C ZINC000300382381 346575639 /nfs/dbraw/zinc/57/56/39/346575639.db2.gz GKLDYTVOKAQYSV-QJPTWQEYSA-N 1 0 215.406 3.295 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000300383296 384617205 /nfs/dbraw/zinc/61/72/05/384617205.db2.gz LEMXNFGIHHYTGX-SKDRFNHKSA-N 1 0 224.735 3.013 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCC[C@H](C)C2)o1 ZINC000300395947 387203461 /nfs/dbraw/zinc/20/34/61/387203461.db2.gz PRZKJKQWUADPJZ-DLOVCJGASA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCC[C@H](C)C2)o1 ZINC000300395948 179654532 /nfs/dbraw/zinc/65/45/32/179654532.db2.gz PRZKJKQWUADPJZ-ZMLRMANQSA-N 1 0 222.332 3.212 10 0 BGAERO CCC[C@](C)(O)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000300404608 528485225 /nfs/dbraw/zinc/48/52/25/528485225.db2.gz KNTIVRMCJYCIEC-GUTXKFCHSA-N 1 0 241.419 3.342 10 0 BGAERO CCC[C@](C)(O)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000300404609 528484158 /nfs/dbraw/zinc/48/41/58/528484158.db2.gz KNTIVRMCJYCIEC-YDHLFZDLSA-N 1 0 241.419 3.342 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@H]1CCOc2ccccc21 ZINC000300408373 490560042 /nfs/dbraw/zinc/56/00/42/490560042.db2.gz CBBVGCWOOAFYIU-UMVBOHGHSA-N 1 0 245.366 3.331 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000300409982 529315848 /nfs/dbraw/zinc/31/58/48/529315848.db2.gz CXBKPGAIGQIJPA-CBBWQLFWSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@@H]2CO)C1 ZINC000300409983 529315858 /nfs/dbraw/zinc/31/58/58/529315858.db2.gz CXBKPGAIGQIJPA-KBXIAJHMSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CO)C1 ZINC000300409984 529316358 /nfs/dbraw/zinc/31/63/58/529316358.db2.gz CXBKPGAIGQIJPA-QPSCCSFWSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@H](CO)CCC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000300411347 387520006 /nfs/dbraw/zinc/52/00/06/387520006.db2.gz YWPKJHZDZVDNGA-IHRRRGAJSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CO)CCC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000300411348 387520473 /nfs/dbraw/zinc/52/04/73/387520473.db2.gz YWPKJHZDZVDNGA-MELADBBJSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@H]1CO ZINC000300411724 529684072 /nfs/dbraw/zinc/68/40/72/529684072.db2.gz PMLJKAINEJSZPC-AJNGGQMLSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000300411725 529683785 /nfs/dbraw/zinc/68/37/85/529683785.db2.gz PMLJKAINEJSZPC-XGUBFFRZSA-N 1 0 241.419 3.342 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000300411726 529683583 /nfs/dbraw/zinc/68/35/83/529683583.db2.gz PMLJKAINEJSZPC-ZQDZILKHSA-N 1 0 241.419 3.342 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCC[C@H](C)C2)o1 ZINC000300412549 179653655 /nfs/dbraw/zinc/65/36/55/179653655.db2.gz ZBMCZQIADGOZCS-DRZSPHRISA-N 1 0 236.359 3.460 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCC[C@H](C)C2)o1 ZINC000300412550 179653362 /nfs/dbraw/zinc/65/33/62/179653362.db2.gz ZBMCZQIADGOZCS-WCFLWFBJSA-N 1 0 236.359 3.460 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000300413248 592511778 /nfs/dbraw/zinc/51/17/78/592511778.db2.gz ZPJOADKIBMGIAW-KKUMJFAQSA-N 1 0 241.419 3.486 10 0 BGAERO CCCCCC[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000300413249 592511926 /nfs/dbraw/zinc/51/19/26/592511926.db2.gz ZPJOADKIBMGIAW-SOUVJXGZSA-N 1 0 241.419 3.486 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1ccccc1OC ZINC000300413459 527865950 /nfs/dbraw/zinc/86/59/50/527865950.db2.gz COZAVJMFYMBBPH-UMVBOHGHSA-N 1 0 247.382 3.404 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000300413612 592511930 /nfs/dbraw/zinc/51/19/30/592511930.db2.gz DLNQWZABNBDGTN-KYOSRNDESA-N 1 0 245.366 3.461 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc2c(c1)CCO2 ZINC000300413613 592512048 /nfs/dbraw/zinc/51/20/48/592512048.db2.gz DLNQWZABNBDGTN-UXIGCNINSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccccc2C1 ZINC000300413806 527868398 /nfs/dbraw/zinc/86/83/98/527868398.db2.gz GEVXUUAHLRRTFS-OWCLPIDISA-N 1 0 229.367 3.322 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000300414451 527830844 /nfs/dbraw/zinc/83/08/44/527830844.db2.gz LXVYDMRGRZIRCM-KCXAZCMYSA-N 1 0 245.366 3.461 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCc2ccc(OC)cc21 ZINC000300414452 527868403 /nfs/dbraw/zinc/86/84/03/527868403.db2.gz LXVYDMRGRZIRCM-UHOFOFEASA-N 1 0 245.366 3.461 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000300414501 527866613 /nfs/dbraw/zinc/86/66/13/527866613.db2.gz MWRUEOUNQUCHRW-RAIGVLPGSA-N 1 0 247.338 3.255 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000300414502 527831350 /nfs/dbraw/zinc/83/13/50/527831350.db2.gz MWRUEOUNQUCHRW-RTXFEEFZSA-N 1 0 247.338 3.255 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@H]2CCCC[C@H]2CO)C1 ZINC000300414717 528985016 /nfs/dbraw/zinc/98/50/16/528985016.db2.gz NFQYMBCHUWMRFO-IHRRRGAJSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCC[C@H]([NH2+][C@@H]2CCCC[C@H]2CO)C1 ZINC000300414718 528985382 /nfs/dbraw/zinc/98/53/82/528985382.db2.gz NFQYMBCHUWMRFO-MELADBBJSA-N 1 0 239.403 3.096 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)Cc1ccc(OC)cc1 ZINC000300414857 527866421 /nfs/dbraw/zinc/86/64/21/527866421.db2.gz QCACCPAKFQWDAI-XNRPHZJLSA-N 1 0 247.382 3.404 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H](OCC)C12CCC2 ZINC000300415128 169433225 /nfs/dbraw/zinc/43/32/25/169433225.db2.gz QVFXHGAIKKYHDI-RFGFWPKPSA-N 1 0 237.387 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H](OCC)C12CCC2 ZINC000300415129 169433512 /nfs/dbraw/zinc/43/35/12/169433512.db2.gz QVFXHGAIKKYHDI-RQJABVFESA-N 1 0 237.387 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](OCC)C12CCC2 ZINC000300415130 387207235 /nfs/dbraw/zinc/20/72/35/387207235.db2.gz QVFXHGAIKKYHDI-ZOBORPQBSA-N 1 0 237.387 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000300415471 387519942 /nfs/dbraw/zinc/51/99/42/387519942.db2.gz WOUIDHHTOJYYFA-HONMWMINSA-N 1 0 249.402 3.359 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000300415472 387519927 /nfs/dbraw/zinc/51/99/27/387519927.db2.gz WOUIDHHTOJYYFA-LERXQTSPSA-N 1 0 249.402 3.359 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000300416355 527867614 /nfs/dbraw/zinc/86/76/14/527867614.db2.gz SIHYYUKWVOYAAJ-MPKXVKKWSA-N 1 0 236.334 3.450 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](CC)c1ccc(F)cn1 ZINC000300416356 527830950 /nfs/dbraw/zinc/83/09/50/527830950.db2.gz SIHYYUKWVOYAAJ-QKCSRTOESA-N 1 0 236.334 3.450 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)o1 ZINC000300416447 384787201 /nfs/dbraw/zinc/78/72/01/384787201.db2.gz OZPUECQCKJTEAC-DNIRFERGSA-N 1 0 236.359 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H]2C[C@H](C)C[C@H](C)C2)o1 ZINC000300416448 384786166 /nfs/dbraw/zinc/78/61/66/384786166.db2.gz OZPUECQCKJTEAC-JULQROHOSA-N 1 0 236.359 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C2C[C@@H](C)C[C@H](C)C2)o1 ZINC000300416449 384786214 /nfs/dbraw/zinc/78/62/14/384786214.db2.gz OZPUECQCKJTEAC-NHCYSSNCSA-N 1 0 236.359 3.458 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCc1ccc(O)cc1 ZINC000300417718 527866283 /nfs/dbraw/zinc/86/62/83/527866283.db2.gz ZPCFLRMUYXJEHX-XNRPHZJLSA-N 1 0 247.382 3.492 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@H](C)C2)o1 ZINC000300419067 387210300 /nfs/dbraw/zinc/21/03/00/387210300.db2.gz NAUHKNICLAQXJY-JULQROHOSA-N 1 0 236.359 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@@H](C)[C@H](C)C2)o1 ZINC000300419068 398344490 /nfs/dbraw/zinc/34/44/90/398344490.db2.gz NAUHKNICLAQXJY-VCDKRKBESA-N 1 0 236.359 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H](C)[C@@H](C)C2)o1 ZINC000300419069 398344441 /nfs/dbraw/zinc/34/44/41/398344441.db2.gz NAUHKNICLAQXJY-XRRVDJEJSA-N 1 0 236.359 3.458 10 0 BGAERO CC(C)C(C)(C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000300420622 387520186 /nfs/dbraw/zinc/52/01/86/387520186.db2.gz NQUCKTIJELYZMJ-JHJVBQTASA-N 1 0 239.403 3.072 10 0 BGAERO CC(C)C(C)(C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000300420623 387520046 /nfs/dbraw/zinc/52/00/46/387520046.db2.gz NQUCKTIJELYZMJ-YNEHKIRRSA-N 1 0 239.403 3.072 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC(C)(C)C[C@H]2C)o1 ZINC000300423491 387520201 /nfs/dbraw/zinc/52/02/01/387520201.db2.gz DWHRLVYKBFRADN-ADEWGFFLSA-N 1 0 236.359 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CC(C)(C)C[C@H]2C)o1 ZINC000300423492 387519873 /nfs/dbraw/zinc/51/98/73/387519873.db2.gz DWHRLVYKBFRADN-USWWRNFRSA-N 1 0 236.359 3.458 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[C@H](C)O ZINC000300424424 528707047 /nfs/dbraw/zinc/70/70/47/528707047.db2.gz SSAJJYQSUCYPIQ-CBBWQLFWSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@@H]1CC[C@H](C)C[C@H]1[NH2+]CCC[C@H](C)O ZINC000300424426 528707192 /nfs/dbraw/zinc/70/71/92/528707192.db2.gz SSAJJYQSUCYPIQ-ZQDZILKHSA-N 1 0 241.419 3.198 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000300461392 528051046 /nfs/dbraw/zinc/05/10/46/528051046.db2.gz FVUPAUNAWNNDFE-BYNSBNAKSA-N 1 0 239.403 3.191 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000300461393 528051206 /nfs/dbraw/zinc/05/12/06/528051206.db2.gz FVUPAUNAWNNDFE-GBJTYRQASA-N 1 0 239.403 3.191 10 0 BGAERO CCC[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000300461394 528050917 /nfs/dbraw/zinc/05/09/17/528050917.db2.gz FVUPAUNAWNNDFE-YJNKXOJESA-N 1 0 239.403 3.191 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(OC)cc1F ZINC000300578311 347268251 /nfs/dbraw/zinc/26/82/51/347268251.db2.gz FVRAFHFHSHBGOF-YGRLFVJLSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000300583826 592515609 /nfs/dbraw/zinc/51/56/09/592515609.db2.gz LZRDNSVGYNCDCA-HZSPNIEDSA-N 1 0 237.387 3.256 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000300583829 592515693 /nfs/dbraw/zinc/51/56/93/592515693.db2.gz LZRDNSVGYNCDCA-MCIONIFRSA-N 1 0 237.387 3.256 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000300583832 592515873 /nfs/dbraw/zinc/51/58/73/592515873.db2.gz LZRDNSVGYNCDCA-RDBSUJKOSA-N 1 0 237.387 3.256 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000300584700 490566309 /nfs/dbraw/zinc/56/63/09/490566309.db2.gz NKFBOLWYHKUYAG-HZSPNIEDSA-N 1 0 230.355 3.237 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCc2cccnc21 ZINC000300584704 490566747 /nfs/dbraw/zinc/56/67/47/490566747.db2.gz NKFBOLWYHKUYAG-MCIONIFRSA-N 1 0 230.355 3.237 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCc2cccnc21 ZINC000300584708 490566343 /nfs/dbraw/zinc/56/63/43/490566343.db2.gz NKFBOLWYHKUYAG-RDBSUJKOSA-N 1 0 230.355 3.237 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc2cc[nH]c2c1 ZINC000300585298 384786856 /nfs/dbraw/zinc/78/68/56/384786856.db2.gz OEAOGEGHIVUOLQ-HIFRSBDPSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc2[nH]ccc2c1 ZINC000300587559 347280359 /nfs/dbraw/zinc/28/03/59/347280359.db2.gz QNTOTWQXQWBGEK-DOMZBBRYSA-N 1 0 228.339 3.446 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cccc(OC)c1F ZINC000300589988 487522330 /nfs/dbraw/zinc/52/23/30/487522330.db2.gz UCXBLWWSZOEQEM-PWSUYJOCSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](COC)c1ccccc1 ZINC000300590006 527831820 /nfs/dbraw/zinc/83/18/20/527831820.db2.gz UKLMIMFUBKUCQX-ILXRZTDVSA-N 1 0 233.355 3.152 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](COC)c1ccccc1 ZINC000300590007 527830680 /nfs/dbraw/zinc/83/06/80/527830680.db2.gz UKLMIMFUBKUCQX-QLFBSQMISA-N 1 0 233.355 3.152 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1C ZINC000300590451 398323450 /nfs/dbraw/zinc/32/34/50/398323450.db2.gz FDQHSJQREOOSAE-IHRRRGAJSA-N 1 0 233.355 3.071 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCO[C@H]1C ZINC000300590453 398323488 /nfs/dbraw/zinc/32/34/88/398323488.db2.gz FDQHSJQREOOSAE-MELADBBJSA-N 1 0 233.355 3.071 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(C)c(O)c(C)c1 ZINC000300593714 527830725 /nfs/dbraw/zinc/83/07/25/527830725.db2.gz ZAVUSEBVPVADAL-KGLIPLIRSA-N 1 0 233.355 3.287 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2C)c1 ZINC000300606477 388379689 /nfs/dbraw/zinc/37/96/89/388379689.db2.gz NJJMXLSVXRCCQS-KCQAQPDRSA-N 1 0 233.355 3.071 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2C)c1 ZINC000300606478 388379990 /nfs/dbraw/zinc/37/99/90/388379990.db2.gz NJJMXLSVXRCCQS-YDHLFZDLSA-N 1 0 233.355 3.071 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C[C@H]2CCO[C@H]2C)cc1 ZINC000300615937 388381005 /nfs/dbraw/zinc/38/10/05/388381005.db2.gz VHGHXVCLZOWFGH-HEHGZKQESA-N 1 0 247.382 3.325 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2C)cc1 ZINC000300615938 388380834 /nfs/dbraw/zinc/38/08/34/388380834.db2.gz VHGHXVCLZOWFGH-XEZPLFJOSA-N 1 0 247.382 3.325 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C)o1 ZINC000300713226 387239406 /nfs/dbraw/zinc/23/94/06/387239406.db2.gz WAPLZAJGHYFTCK-JULQROHOSA-N 1 0 236.359 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2C[C@H](C)CC[C@@H]2C)o1 ZINC000300713227 384817201 /nfs/dbraw/zinc/81/72/01/384817201.db2.gz WAPLZAJGHYFTCK-RSLMWUCJSA-N 1 0 236.359 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2C[C@H](C)CC[C@H]2C)o1 ZINC000300713228 384817060 /nfs/dbraw/zinc/81/70/60/384817060.db2.gz WAPLZAJGHYFTCK-VCDKRKBESA-N 1 0 236.359 3.458 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CCC2CCCC2)o1 ZINC000300716578 387239297 /nfs/dbraw/zinc/23/92/97/387239297.db2.gz BINXQCOJWAZNAW-LLVKDONJSA-N 1 0 222.332 3.214 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCC2CCCC2)o1 ZINC000300716579 387239355 /nfs/dbraw/zinc/23/93/55/387239355.db2.gz BINXQCOJWAZNAW-NSHDSACASA-N 1 0 222.332 3.214 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CCCC(C)(C)C)o1 ZINC000300780353 398162292 /nfs/dbraw/zinc/16/22/92/398162292.db2.gz QZRKRPFPURBXER-LLVKDONJSA-N 1 0 224.348 3.460 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCCC(C)(C)C)o1 ZINC000300780354 384922489 /nfs/dbraw/zinc/92/24/89/384922489.db2.gz QZRKRPFPURBXER-NSHDSACASA-N 1 0 224.348 3.460 10 0 BGAERO CC(C)(C)CCC[N@@H+]1CCC[C@@H]1CCCO ZINC000300783694 384919353 /nfs/dbraw/zinc/91/93/53/384919353.db2.gz UZJIBNQNQKQLGH-CYBMUJFWSA-N 1 0 227.392 3.050 10 0 BGAERO CC(C)(C)CCC[N@@H+]1CCC[C@H]1CCCO ZINC000300783697 384921561 /nfs/dbraw/zinc/92/15/61/384921561.db2.gz UZJIBNQNQKQLGH-ZDUSSCGKSA-N 1 0 227.392 3.050 10 0 BGAERO CC1(C)C[NH2+]CC/C1=C\c1ccsc1 ZINC000300795628 360504477 /nfs/dbraw/zinc/50/44/77/360504477.db2.gz DRFFLJQFUGALOB-YRNVUSSQSA-N 1 0 207.342 3.151 10 0 BGAERO C[NH2+][C@H](C(C)C)[C@@H]1CCCC(F)(F)C1 ZINC000300812506 352575191 /nfs/dbraw/zinc/57/51/91/352575191.db2.gz CEYALQVSWZRJJL-NXEZZACHSA-N 1 0 205.292 3.056 10 0 BGAERO C[NH2+][C@@H](C(C)C)[C@H]1CCCC(F)(F)C1 ZINC000300812508 360517214 /nfs/dbraw/zinc/51/72/14/360517214.db2.gz CEYALQVSWZRJJL-UWVGGRQHSA-N 1 0 205.292 3.056 10 0 BGAERO C[NH2+][C@H](C(C)C)[C@H]1CCCC(F)(F)C1 ZINC000300812510 360517520 /nfs/dbraw/zinc/51/75/20/360517520.db2.gz CEYALQVSWZRJJL-VHSXEESVSA-N 1 0 205.292 3.056 10 0 BGAERO C[NH2+][C@@H](C(C)C)[C@@H]1CCCC(F)(F)C1 ZINC000300812512 360517533 /nfs/dbraw/zinc/51/75/33/360517533.db2.gz CEYALQVSWZRJJL-ZJUUUORDSA-N 1 0 205.292 3.056 10 0 BGAERO Cc1cccc(NC(=[NH2+])C2CC2)c1Cl ZINC000300868543 352577322 /nfs/dbraw/zinc/57/73/22/352577322.db2.gz KHIYBTNAWGAKPI-UHFFFAOYSA-N 1 0 208.692 3.448 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300876196 363092613 /nfs/dbraw/zinc/09/26/13/363092613.db2.gz KUJSKBCFWKVLHY-BDAKNGLRSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)(C)[C@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300876198 363092863 /nfs/dbraw/zinc/09/28/63/363092863.db2.gz KUJSKBCFWKVLHY-DTWKUNHWSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300876200 363092772 /nfs/dbraw/zinc/09/27/72/363092772.db2.gz KUJSKBCFWKVLHY-IUCAKERBSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)(C)[C@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300876202 363092879 /nfs/dbraw/zinc/09/28/79/363092879.db2.gz KUJSKBCFWKVLHY-RKDXNWHRSA-N 1 0 205.292 3.185 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)CC(C)C)o1 ZINC000300885477 385023573 /nfs/dbraw/zinc/02/35/73/385023573.db2.gz JJCCACNRYPDKNE-CMPLNLGQSA-N 1 0 224.348 3.316 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H](C)CC(C)C)o1 ZINC000300885479 179654604 /nfs/dbraw/zinc/65/46/04/179654604.db2.gz JJCCACNRYPDKNE-JQWIXIFHSA-N 1 0 224.348 3.316 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@H](C)CC(C)C)o1 ZINC000300885481 385025897 /nfs/dbraw/zinc/02/58/97/385025897.db2.gz JJCCACNRYPDKNE-PWSUYJOCSA-N 1 0 224.348 3.316 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C[C@H](C)CC(C)C)o1 ZINC000300885484 385024011 /nfs/dbraw/zinc/02/40/11/385024011.db2.gz JJCCACNRYPDKNE-ZYHUDNBSSA-N 1 0 224.348 3.316 10 0 BGAERO C[C@H]1CS[C@H](C2CCCCCCC2)[NH2+]1 ZINC000300895294 363109017 /nfs/dbraw/zinc/10/90/17/363109017.db2.gz VATDBNYIEANPEF-CMPLNLGQSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@H]1CS[C@@H](C2CCCCCCC2)[NH2+]1 ZINC000300895301 363108689 /nfs/dbraw/zinc/10/86/89/363108689.db2.gz VATDBNYIEANPEF-JQWIXIFHSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@@H]1CS[C@@H](C2CCCCCCC2)[NH2+]1 ZINC000300895308 363108499 /nfs/dbraw/zinc/10/84/99/363108499.db2.gz VATDBNYIEANPEF-PWSUYJOCSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@@H]1CS[C@H](C2CCCCCCC2)[NH2+]1 ZINC000300895313 363108763 /nfs/dbraw/zinc/10/87/63/363108763.db2.gz VATDBNYIEANPEF-ZYHUDNBSSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@H]1C[NH2+][C@@H](C2CCCCCCC2)S1 ZINC000300905811 363116761 /nfs/dbraw/zinc/11/67/61/363116761.db2.gz XAMSVFBZVFKNAX-CMPLNLGQSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@H]1C[NH2+][C@H](C2CCCCCCC2)S1 ZINC000300905813 363116688 /nfs/dbraw/zinc/11/66/88/363116688.db2.gz XAMSVFBZVFKNAX-JQWIXIFHSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@@H]1C[NH2+][C@H](C2CCCCCCC2)S1 ZINC000300905814 363116148 /nfs/dbraw/zinc/11/61/48/363116148.db2.gz XAMSVFBZVFKNAX-PWSUYJOCSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](C2CCCCCCC2)S1 ZINC000300905815 363116805 /nfs/dbraw/zinc/11/68/05/363116805.db2.gz XAMSVFBZVFKNAX-ZYHUDNBSSA-N 1 0 213.390 3.398 10 0 BGAERO CC[C@@H]1CC[NH2+][C@H](c2cc(C)c(C)o2)C1 ZINC000300913175 363119648 /nfs/dbraw/zinc/11/96/48/363119648.db2.gz SBKWCWZPWOSPCH-NEPJUHHUSA-N 1 0 207.317 3.347 10 0 BGAERO CC[C@H]1CC[NH2+][C@@H](c2cc(C)c(C)o2)C1 ZINC000300913179 363119868 /nfs/dbraw/zinc/11/98/68/363119868.db2.gz SBKWCWZPWOSPCH-NWDGAFQWSA-N 1 0 207.317 3.347 10 0 BGAERO CC[C@H]1CC[NH2+][C@H](c2cc(C)c(C)o2)C1 ZINC000300913184 363119891 /nfs/dbraw/zinc/11/98/91/363119891.db2.gz SBKWCWZPWOSPCH-RYUDHWBXSA-N 1 0 207.317 3.347 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@H](c2cc(C)c(C)o2)C1 ZINC000300913188 363120068 /nfs/dbraw/zinc/12/00/68/363120068.db2.gz SBKWCWZPWOSPCH-VXGBXAGGSA-N 1 0 207.317 3.347 10 0 BGAERO C[NH2+]C[C@@H]1[C@H](c2ccc(Cl)s2)C1(C)C ZINC000300914243 352578902 /nfs/dbraw/zinc/57/89/02/352578902.db2.gz DIYDYEOXOQKOTD-GMSGAONNSA-N 1 0 229.776 3.361 10 0 BGAERO C[NH2+]C[C@H]1[C@H](c2ccc(Cl)s2)C1(C)C ZINC000300914247 363120193 /nfs/dbraw/zinc/12/01/93/363120193.db2.gz DIYDYEOXOQKOTD-OIBJUYFYSA-N 1 0 229.776 3.361 10 0 BGAERO C[NH2+]C[C@@H]1[C@@H](c2ccc(Cl)s2)C1(C)C ZINC000300914250 363119539 /nfs/dbraw/zinc/11/95/39/363119539.db2.gz DIYDYEOXOQKOTD-XCBNKYQSSA-N 1 0 229.776 3.361 10 0 BGAERO C[NH2+]C[C@H]1[C@@H](c2ccc(Cl)s2)C1(C)C ZINC000300914254 363120016 /nfs/dbraw/zinc/12/00/16/363120016.db2.gz DIYDYEOXOQKOTD-XVKPBYJWSA-N 1 0 229.776 3.361 10 0 BGAERO [NH3+]Cc1c2c(c(Cl)cc1Cl)N=S=N2 ZINC000300926115 363147226 /nfs/dbraw/zinc/14/72/26/363147226.db2.gz VDEVMNDZXSLTGD-UHFFFAOYSA-N 1 0 234.111 3.179 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1ccc(Cl)s1 ZINC000300950514 363201150 /nfs/dbraw/zinc/20/11/50/363201150.db2.gz HAXBVRQQZHAEDE-HZGVNTEJSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1ccc(Cl)s1 ZINC000300950519 363201831 /nfs/dbraw/zinc/20/18/31/363201831.db2.gz HAXBVRQQZHAEDE-IMTBSYHQSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1ccc(Cl)s1 ZINC000300950522 363200015 /nfs/dbraw/zinc/20/00/15/363200015.db2.gz HAXBVRQQZHAEDE-MUWHJKNJSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@H](c2ccc(Cl)s2)[C@@H]1C[NH3+] ZINC000300950527 363200434 /nfs/dbraw/zinc/20/04/34/363200434.db2.gz HAXBVRQQZHAEDE-RCOVLWMOSA-N 1 0 215.749 3.100 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300958135 363200936 /nfs/dbraw/zinc/20/09/36/363200936.db2.gz VAAQIIRGLVYNPM-NXEZZACHSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300958138 352580807 /nfs/dbraw/zinc/58/08/07/352580807.db2.gz VAAQIIRGLVYNPM-UWVGGRQHSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)C[C@@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300958141 352580469 /nfs/dbraw/zinc/58/04/69/352580469.db2.gz VAAQIIRGLVYNPM-VHSXEESVSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)C[C@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300958144 363201298 /nfs/dbraw/zinc/20/12/98/363201298.db2.gz VAAQIIRGLVYNPM-ZJUUUORDSA-N 1 0 205.292 3.185 10 0 BGAERO [NH3+]C1(C[C@H]2CCCC(F)(F)C2)CCC1 ZINC000300959364 363200966 /nfs/dbraw/zinc/20/09/66/363200966.db2.gz PGTMYFRWELUNPJ-SECBINFHSA-N 1 0 203.276 3.083 10 0 BGAERO [NH3+]C1(C[C@@H]2CCCC(F)(F)C2)CCC1 ZINC000300959365 363201278 /nfs/dbraw/zinc/20/12/78/363201278.db2.gz PGTMYFRWELUNPJ-VIFPVBQESA-N 1 0 203.276 3.083 10 0 BGAERO CC[C@]1(c2cccs2)[C@H](C[NH3+])C1(C)C ZINC000300962761 363229355 /nfs/dbraw/zinc/22/93/55/363229355.db2.gz IKDRQJHOVZIPBO-BXKDBHETSA-N 1 0 209.358 3.011 10 0 BGAERO CC[C@@]1(c2cccs2)[C@@H](C[NH3+])C1(C)C ZINC000300962762 363229054 /nfs/dbraw/zinc/22/90/54/363229054.db2.gz IKDRQJHOVZIPBO-CABZTGNLSA-N 1 0 209.358 3.011 10 0 BGAERO CC[C@]1(c2cccs2)[C@@H](C[NH3+])C1(C)C ZINC000300962763 363229310 /nfs/dbraw/zinc/22/93/10/363229310.db2.gz IKDRQJHOVZIPBO-JOYOIKCWSA-N 1 0 209.358 3.011 10 0 BGAERO CC[C@@]1(c2cccs2)[C@H](C[NH3+])C1(C)C ZINC000300962764 363228949 /nfs/dbraw/zinc/22/89/49/363228949.db2.gz IKDRQJHOVZIPBO-SKDRFNHKSA-N 1 0 209.358 3.011 10 0 BGAERO CC(C)[C@H]([NH3+])C[C@H]1CCCC(F)(F)C1 ZINC000300964193 363230632 /nfs/dbraw/zinc/23/06/32/363230632.db2.gz PVLRGTNOCWICCY-NXEZZACHSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)[C@@H]([NH3+])C[C@@H]1CCCC(F)(F)C1 ZINC000300964194 363230484 /nfs/dbraw/zinc/23/04/84/363230484.db2.gz PVLRGTNOCWICCY-UWVGGRQHSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)[C@H]([NH3+])C[C@@H]1CCCC(F)(F)C1 ZINC000300964195 363230585 /nfs/dbraw/zinc/23/05/85/363230585.db2.gz PVLRGTNOCWICCY-VHSXEESVSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)[C@@H]([NH3+])C[C@H]1CCCC(F)(F)C1 ZINC000300964196 363230184 /nfs/dbraw/zinc/23/01/84/363230184.db2.gz PVLRGTNOCWICCY-ZJUUUORDSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)C[C@@H](C)[C@@H]1[NH2+]C(C)(C)CS1 ZINC000300966173 386635146 /nfs/dbraw/zinc/63/51/46/386635146.db2.gz RNVLQBJJCWPSBO-NXEZZACHSA-N 1 0 201.379 3.110 10 0 BGAERO CC(C)C[C@H](C)[C@H]1[NH2+]C(C)(C)CS1 ZINC000300966175 363229282 /nfs/dbraw/zinc/22/92/82/363229282.db2.gz RNVLQBJJCWPSBO-UWVGGRQHSA-N 1 0 201.379 3.110 10 0 BGAERO CC(C)C[C@H](C)[C@@H]1[NH2+]C(C)(C)CS1 ZINC000300966177 363228971 /nfs/dbraw/zinc/22/89/71/363228971.db2.gz RNVLQBJJCWPSBO-VHSXEESVSA-N 1 0 201.379 3.110 10 0 BGAERO CC(C)C[C@@H](C)[C@H]1[NH2+]C(C)(C)CS1 ZINC000300966179 363229385 /nfs/dbraw/zinc/22/93/85/363229385.db2.gz RNVLQBJJCWPSBO-ZJUUUORDSA-N 1 0 201.379 3.110 10 0 BGAERO CC(C)=C[C@@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300972084 386634716 /nfs/dbraw/zinc/63/47/16/386634716.db2.gz XCXYZSSUZLCZRO-NXEZZACHSA-N 1 0 203.276 3.105 10 0 BGAERO CC(C)=C[C@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300972085 363244685 /nfs/dbraw/zinc/24/46/85/363244685.db2.gz XCXYZSSUZLCZRO-UWVGGRQHSA-N 1 0 203.276 3.105 10 0 BGAERO CC(C)=C[C@@H]([NH3+])[C@H]1CCCC(F)(F)C1 ZINC000300972086 363243975 /nfs/dbraw/zinc/24/39/75/363243975.db2.gz XCXYZSSUZLCZRO-VHSXEESVSA-N 1 0 203.276 3.105 10 0 BGAERO CC(C)=C[C@H]([NH3+])[C@@H]1CCCC(F)(F)C1 ZINC000300972087 363244591 /nfs/dbraw/zinc/24/45/91/363244591.db2.gz XCXYZSSUZLCZRO-ZJUUUORDSA-N 1 0 203.276 3.105 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]1[C@@H]([NH3+])C1(C)C ZINC000300975155 363245605 /nfs/dbraw/zinc/24/56/05/363245605.db2.gz JTACABZLMQQGNU-GHMZBOCLSA-N 1 0 209.720 3.099 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]1[C@H]([NH3+])C1(C)C ZINC000300975156 363245711 /nfs/dbraw/zinc/24/57/11/363245711.db2.gz JTACABZLMQQGNU-MNOVXSKESA-N 1 0 209.720 3.099 10 0 BGAERO Cc1cc(Cl)ccc1[C@H]1[C@H]([NH3+])C1(C)C ZINC000300975157 363245083 /nfs/dbraw/zinc/24/50/83/363245083.db2.gz JTACABZLMQQGNU-QWRGUYRKSA-N 1 0 209.720 3.099 10 0 BGAERO Cc1cc(Cl)ccc1[C@H]1[C@@H]([NH3+])C1(C)C ZINC000300975158 363245073 /nfs/dbraw/zinc/24/50/73/363245073.db2.gz JTACABZLMQQGNU-WDEREUQCSA-N 1 0 209.720 3.099 10 0 BGAERO CCc1ccc([C@H]2[C@H](C[NH3+])C2(C)C)s1 ZINC000300980003 363247781 /nfs/dbraw/zinc/24/77/81/363247781.db2.gz KJBWITCICAKUED-GXSJLCMTSA-N 1 0 209.358 3.009 10 0 BGAERO CCc1ccc([C@@H]2[C@@H](C[NH3+])C2(C)C)s1 ZINC000300980005 363248532 /nfs/dbraw/zinc/24/85/32/363248532.db2.gz KJBWITCICAKUED-KOLCDFICSA-N 1 0 209.358 3.009 10 0 BGAERO CCc1ccc([C@H]2[C@@H](C[NH3+])C2(C)C)s1 ZINC000300980007 363247317 /nfs/dbraw/zinc/24/73/17/363247317.db2.gz KJBWITCICAKUED-MWLCHTKSSA-N 1 0 209.358 3.009 10 0 BGAERO CCc1ccc([C@@H]2[C@H](C[NH3+])C2(C)C)s1 ZINC000300980009 363248043 /nfs/dbraw/zinc/24/80/43/363248043.db2.gz KJBWITCICAKUED-ONGXEEELSA-N 1 0 209.358 3.009 10 0 BGAERO Cc1ccc([C@@H]2[C@@H]([NH3+])C2(C)C)cc1Cl ZINC000300980720 363259665 /nfs/dbraw/zinc/25/96/65/363259665.db2.gz KLELTIJXARXRGQ-GHMZBOCLSA-N 1 0 209.720 3.099 10 0 BGAERO Cc1ccc([C@@H]2[C@H]([NH3+])C2(C)C)cc1Cl ZINC000300980721 363259616 /nfs/dbraw/zinc/25/96/16/363259616.db2.gz KLELTIJXARXRGQ-MNOVXSKESA-N 1 0 209.720 3.099 10 0 BGAERO Cc1ccc([C@H]2[C@H]([NH3+])C2(C)C)cc1Cl ZINC000300980723 363259680 /nfs/dbraw/zinc/25/96/80/363259680.db2.gz KLELTIJXARXRGQ-QWRGUYRKSA-N 1 0 209.720 3.099 10 0 BGAERO Cc1ccc([C@H]2[C@@H]([NH3+])C2(C)C)cc1Cl ZINC000300980724 363258982 /nfs/dbraw/zinc/25/89/82/363258982.db2.gz KLELTIJXARXRGQ-WDEREUQCSA-N 1 0 209.720 3.099 10 0 BGAERO CC1(C)[C@@H]([NH3+])[C@@]1(C)c1ccc(Cl)s1 ZINC000301008428 363289846 /nfs/dbraw/zinc/28/98/46/363289846.db2.gz NXBLKUPWQFAMQU-PSASIEDQSA-N 1 0 215.749 3.026 10 0 BGAERO CC1(C)[C@@H]([NH3+])[C@]1(C)c1ccc(Cl)s1 ZINC000301008429 363289875 /nfs/dbraw/zinc/28/98/75/363289875.db2.gz NXBLKUPWQFAMQU-SCZZXKLOSA-N 1 0 215.749 3.026 10 0 BGAERO CC1(C)[C@H]([NH3+])[C@@]1(C)c1ccc(Cl)s1 ZINC000301008430 363290285 /nfs/dbraw/zinc/29/02/85/363290285.db2.gz NXBLKUPWQFAMQU-WCBMZHEXSA-N 1 0 215.749 3.026 10 0 BGAERO CC1(C)[C@H]([NH3+])[C@]1(C)c1ccc(Cl)s1 ZINC000301008431 363289731 /nfs/dbraw/zinc/28/97/31/363289731.db2.gz NXBLKUPWQFAMQU-WPRPVWTQSA-N 1 0 215.749 3.026 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1cc(Cl)cs1 ZINC000301023407 363338398 /nfs/dbraw/zinc/33/83/98/363338398.db2.gz QTTNQRACJBRWJR-APPZFPTMSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@H](c2cc(Cl)cs2)[C@@H]1C[NH3+] ZINC000301023408 363338414 /nfs/dbraw/zinc/33/84/14/363338414.db2.gz QTTNQRACJBRWJR-CBAPKCEASA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1cc(Cl)cs1 ZINC000301023409 363338283 /nfs/dbraw/zinc/33/82/83/363338283.db2.gz QTTNQRACJBRWJR-IONNQARKSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1cc(Cl)cs1 ZINC000301023410 363338007 /nfs/dbraw/zinc/33/80/07/363338007.db2.gz QTTNQRACJBRWJR-VXNVDRBHSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@@H]([NH3+])[C@@]1(C)c1csc(Cl)c1 ZINC000301036148 363358688 /nfs/dbraw/zinc/35/86/88/363358688.db2.gz XDAVVPBAVJXYLL-PSASIEDQSA-N 1 0 215.749 3.026 10 0 BGAERO CC1(C)[C@@H]([NH3+])[C@]1(C)c1csc(Cl)c1 ZINC000301036149 363358797 /nfs/dbraw/zinc/35/87/97/363358797.db2.gz XDAVVPBAVJXYLL-SCZZXKLOSA-N 1 0 215.749 3.026 10 0 BGAERO CC1(C)[C@H]([NH3+])[C@@]1(C)c1csc(Cl)c1 ZINC000301036150 352585311 /nfs/dbraw/zinc/58/53/11/352585311.db2.gz XDAVVPBAVJXYLL-WCBMZHEXSA-N 1 0 215.749 3.026 10 0 BGAERO CC1(C)[C@H]([NH3+])[C@]1(C)c1csc(Cl)c1 ZINC000301036151 363358935 /nfs/dbraw/zinc/35/89/35/363358935.db2.gz XDAVVPBAVJXYLL-WPRPVWTQSA-N 1 0 215.749 3.026 10 0 BGAERO C[C@@H]1C[C@@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000301294257 384873018 /nfs/dbraw/zinc/87/30/18/384873018.db2.gz VBAWHZXAUSZAMS-PELKAZGASA-N 1 0 216.259 3.194 10 0 BGAERO C[C@@H]1C[C@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000301294258 384873929 /nfs/dbraw/zinc/87/39/29/384873929.db2.gz VBAWHZXAUSZAMS-PRHODGIISA-N 1 0 216.259 3.194 10 0 BGAERO C[C@H]1C[C@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000301294259 187302572 /nfs/dbraw/zinc/30/25/72/187302572.db2.gz VBAWHZXAUSZAMS-QPUJVOFHSA-N 1 0 216.259 3.194 10 0 BGAERO C[C@H]1C[C@@H]1Nc1cc[nH+]c2cc(F)ccc12 ZINC000301294260 177350654 /nfs/dbraw/zinc/35/06/54/177350654.db2.gz VBAWHZXAUSZAMS-UFBFGSQYSA-N 1 0 216.259 3.194 10 0 BGAERO CC(C)[C@@H](C)Nc1ccnc(C(C)(C)C)n1 ZINC000301439357 167387725 /nfs/dbraw/zinc/38/77/25/167387725.db2.gz NUGXQFGWVIGLOD-SNVBAGLBSA-N 1 0 221.348 3.231 10 0 BGAERO C[C@@H](C[NH2+][C@H]1COc2ccccc21)C(C)(C)C ZINC000301644442 645901353 /nfs/dbraw/zinc/90/13/53/645901353.db2.gz UQOVSTVVDNTXFN-AAEUAGOBSA-N 1 0 233.355 3.392 10 0 BGAERO C[C@H](C[NH2+][C@@H]1COc2ccccc21)C(C)(C)C ZINC000301644443 645901021 /nfs/dbraw/zinc/90/10/21/645901021.db2.gz UQOVSTVVDNTXFN-DGCLKSJQSA-N 1 0 233.355 3.392 10 0 BGAERO C[C@@H](C[NH2+][C@@H]1COc2ccccc21)C(C)(C)C ZINC000301644444 645901077 /nfs/dbraw/zinc/90/10/77/645901077.db2.gz UQOVSTVVDNTXFN-WCQYABFASA-N 1 0 233.355 3.392 10 0 BGAERO C[C@H](C[NH2+][C@H]1COc2ccccc21)C(C)(C)C ZINC000301644445 645901334 /nfs/dbraw/zinc/90/13/34/645901334.db2.gz UQOVSTVVDNTXFN-YPMHNXCESA-N 1 0 233.355 3.392 10 0 BGAERO CC[C@H](CCO)Nc1cc[nH+]c2c(C)cccc12 ZINC000301648100 386863123 /nfs/dbraw/zinc/86/31/23/386863123.db2.gz DZCOKTZYNXAGFK-GFCCVEGCSA-N 1 0 244.338 3.116 10 0 BGAERO CC[C@@H](CCO)Nc1cc[nH+]c2c(C)cccc12 ZINC000301648101 386863571 /nfs/dbraw/zinc/86/35/71/386863571.db2.gz DZCOKTZYNXAGFK-LBPRGKRZSA-N 1 0 244.338 3.116 10 0 BGAERO COC(C)(C)CNc1cc[nH+]c2c(C)cccc12 ZINC000301656498 386863270 /nfs/dbraw/zinc/86/32/70/386863270.db2.gz IAAAATBFASXYLM-UHFFFAOYSA-N 1 0 244.338 3.380 10 0 BGAERO Cc1cccc2c(N[C@H]3C[C@@H]3C)cc[nH+]c12 ZINC000301662642 179211513 /nfs/dbraw/zinc/21/15/13/179211513.db2.gz KBMHGZWGCBMXOC-GWCFXTLKSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cccc2c(N[C@@H]3C[C@@H]3C)cc[nH+]c12 ZINC000301662643 179212570 /nfs/dbraw/zinc/21/25/70/179212570.db2.gz KBMHGZWGCBMXOC-GXFFZTMASA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cccc2c(N[C@H]3C[C@H]3C)cc[nH+]c12 ZINC000301662645 179211705 /nfs/dbraw/zinc/21/17/05/179211705.db2.gz KBMHGZWGCBMXOC-MFKMUULPSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cccc2c(N[C@@H]3C[C@H]3C)cc[nH+]c12 ZINC000301662647 179211602 /nfs/dbraw/zinc/21/16/02/179211602.db2.gz KBMHGZWGCBMXOC-ZWNOBZJWSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cccc2c(NCc3ccon3)cc[nH+]c12 ZINC000301677273 179211990 /nfs/dbraw/zinc/21/19/90/179211990.db2.gz QIVMOZBAZDLWSJ-UHFFFAOYSA-N 1 0 239.278 3.143 10 0 BGAERO CCC[C@@H](O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301677809 386868068 /nfs/dbraw/zinc/86/80/68/386868068.db2.gz QRSKSURUBITRFX-GFCCVEGCSA-N 1 0 244.338 3.116 10 0 BGAERO CCC[C@H](O)CNc1cc[nH+]c2c(C)cccc12 ZINC000301677810 386868706 /nfs/dbraw/zinc/86/87/06/386868706.db2.gz QRSKSURUBITRFX-LBPRGKRZSA-N 1 0 244.338 3.116 10 0 BGAERO Cc1cccc2c(N[C@H](C)CCCO)cc[nH+]c12 ZINC000301685036 179212045 /nfs/dbraw/zinc/21/20/45/179212045.db2.gz UFVGUWAHGKJGRR-GFCCVEGCSA-N 1 0 244.338 3.116 10 0 BGAERO Cc1cccc2c(N[C@@H](C)CCCO)cc[nH+]c12 ZINC000301685037 179211859 /nfs/dbraw/zinc/21/18/59/179211859.db2.gz UFVGUWAHGKJGRR-LBPRGKRZSA-N 1 0 244.338 3.116 10 0 BGAERO CSCCN(C)c1cc[nH+]c2c(C)cccc12 ZINC000301690336 386867677 /nfs/dbraw/zinc/86/76/77/386867677.db2.gz WFOKXDJHDNEBDY-UHFFFAOYSA-N 1 0 246.379 3.342 10 0 BGAERO Cc1cccc2c(NCC3CC3)cc[nH+]c12 ZINC000301690368 179211170 /nfs/dbraw/zinc/21/11/70/179211170.db2.gz WHIPONHEDPKCJN-UHFFFAOYSA-N 1 0 212.296 3.365 10 0 BGAERO Cc1cccc2c(N[C@@H]3CCCOC3)cc[nH+]c12 ZINC000301693279 179212025 /nfs/dbraw/zinc/21/20/25/179212025.db2.gz XNRIRFHSLJCTJL-GFCCVEGCSA-N 1 0 242.322 3.134 10 0 BGAERO Cc1cccc2c(N[C@H]3CCCOC3)cc[nH+]c12 ZINC000301693280 179211886 /nfs/dbraw/zinc/21/18/86/179211886.db2.gz XNRIRFHSLJCTJL-LBPRGKRZSA-N 1 0 242.322 3.134 10 0 BGAERO CC[C@@H](O)CCNc1cc[nH+]c2c(C)cccc12 ZINC000301698579 356565098 /nfs/dbraw/zinc/56/50/98/356565098.db2.gz DEURJYBWBJUSST-GFCCVEGCSA-N 1 0 244.338 3.116 10 0 BGAERO CC[C@H](O)CCNc1cc[nH+]c2c(C)cccc12 ZINC000301698581 386871269 /nfs/dbraw/zinc/87/12/69/386871269.db2.gz DEURJYBWBJUSST-LBPRGKRZSA-N 1 0 244.338 3.116 10 0 BGAERO CCC[C@H]1CNCC[N@@H+]1CCC1CCCCC1 ZINC000301770852 528415404 /nfs/dbraw/zinc/41/54/04/528415404.db2.gz MLTHEFRNKCFKKK-HNNXBMFYSA-N 1 0 238.419 3.031 10 0 BGAERO CCC[C@@H]1CNCC[N@@H+]1CCC1CCCCC1 ZINC000301770854 527807123 /nfs/dbraw/zinc/80/71/23/527807123.db2.gz MLTHEFRNKCFKKK-OAHLLOKOSA-N 1 0 238.419 3.031 10 0 BGAERO CCc1cc(NCC(F)F)c2ccccc2[nH+]1 ZINC000301776954 386877959 /nfs/dbraw/zinc/87/79/59/386877959.db2.gz GWOUDZGNWYNWCE-UHFFFAOYSA-N 1 0 236.265 3.474 10 0 BGAERO Cc1cc2ccccc2c(NCC(F)F)[nH+]1 ZINC000302010035 178296810 /nfs/dbraw/zinc/29/68/10/178296810.db2.gz AJKBCNAQBTWRCU-UHFFFAOYSA-N 1 0 222.238 3.220 10 0 BGAERO CSCCNc1[nH+]c(C)cc2ccccc21 ZINC000302034659 384953632 /nfs/dbraw/zinc/95/36/32/384953632.db2.gz JOABFFSCHWOQKX-UHFFFAOYSA-N 1 0 232.352 3.318 10 0 BGAERO Cc1cc2ccccc2c(N[C@@H]2C[C@H]2C)[nH+]1 ZINC000302049292 178297046 /nfs/dbraw/zinc/29/70/46/178297046.db2.gz OILDWDMIRORWFV-NOZJJQNGSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cc2ccccc2c(N[C@H]2C[C@H]2C)[nH+]1 ZINC000302049293 178297451 /nfs/dbraw/zinc/29/74/51/178297451.db2.gz OILDWDMIRORWFV-RNCFNFMXSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cc2ccccc2c(N[C@@H]2C[C@@H]2C)[nH+]1 ZINC000302049294 178297825 /nfs/dbraw/zinc/29/78/25/178297825.db2.gz OILDWDMIRORWFV-TVQRCGJNSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cc2ccccc2c(N[C@H]2C[C@@H]2C)[nH+]1 ZINC000302049295 178297557 /nfs/dbraw/zinc/29/75/57/178297557.db2.gz OILDWDMIRORWFV-ZANVPECISA-N 1 0 212.296 3.364 10 0 BGAERO Cc1cc2ccccc2c(NCC2CC2)[nH+]1 ZINC000302079993 178296844 /nfs/dbraw/zinc/29/68/44/178296844.db2.gz XNBCBNIRJONFAA-UHFFFAOYSA-N 1 0 212.296 3.365 10 0 BGAERO Cc1ccc2[nH+]ccc(N[C@H]3C[C@@H]3C)c2c1 ZINC000302170933 384974309 /nfs/dbraw/zinc/97/43/09/384974309.db2.gz UMYCWOMYKIFMGI-HZMBPMFUSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1ccc2[nH+]ccc(N[C@@H]3C[C@@H]3C)c2c1 ZINC000302170935 384973830 /nfs/dbraw/zinc/97/38/30/384973830.db2.gz UMYCWOMYKIFMGI-IINYFYTJSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1ccc2[nH+]ccc(N[C@@H]3C[C@H]3C)c2c1 ZINC000302170937 384973536 /nfs/dbraw/zinc/97/35/36/384973536.db2.gz UMYCWOMYKIFMGI-QMTHXVAHSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1ccc2[nH+]ccc(N[C@H]3C[C@H]3C)c2c1 ZINC000302170938 384973639 /nfs/dbraw/zinc/97/36/39/384973639.db2.gz UMYCWOMYKIFMGI-YGRLFVJLSA-N 1 0 212.296 3.364 10 0 BGAERO Cc1ccc2[nH+]ccc(NCC(F)F)c2c1 ZINC000302179369 384978131 /nfs/dbraw/zinc/97/81/31/384978131.db2.gz YRYRTXRMBDSCGJ-UHFFFAOYSA-N 1 0 222.238 3.220 10 0 BGAERO Cc1cc(N2CC[C@@H]3CCCC[C@H]32)cc[nH+]1 ZINC000302207740 178118146 /nfs/dbraw/zinc/11/81/46/178118146.db2.gz APSKAWWOCXJASU-GXTWGEPZSA-N 1 0 216.328 3.159 10 0 BGAERO Cc1cc(N2CC[C@H]3CCCC[C@@H]32)cc[nH+]1 ZINC000302207742 178120077 /nfs/dbraw/zinc/12/00/77/178120077.db2.gz APSKAWWOCXJASU-OCCSQVGLSA-N 1 0 216.328 3.159 10 0 BGAERO Cc1cc(N2CC[C@H]3CCCC[C@H]32)cc[nH+]1 ZINC000302207743 178119621 /nfs/dbraw/zinc/11/96/21/178119621.db2.gz APSKAWWOCXJASU-TZMCWYRMSA-N 1 0 216.328 3.159 10 0 BGAERO FC1(F)CC[C@@H](C[NH2+]CCc2ccccc2)C1 ZINC000302212454 645903994 /nfs/dbraw/zinc/90/39/94/645903994.db2.gz WGQZYGMYHULMKA-CYBMUJFWSA-N 1 0 239.309 3.254 10 0 BGAERO FC1(F)CC[C@H](C[NH2+]CCc2ccccc2)C1 ZINC000302212458 645903447 /nfs/dbraw/zinc/90/34/47/645903447.db2.gz WGQZYGMYHULMKA-ZDUSSCGKSA-N 1 0 239.309 3.254 10 0 BGAERO Cc1nc(CNc2cc[nH+]c(C)c2)c(C)s1 ZINC000302358260 178177518 /nfs/dbraw/zinc/17/75/18/178177518.db2.gz BMCZWKINULHOGO-UHFFFAOYSA-N 1 0 233.340 3.075 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+]C(C1CCC1)C1CCC1 ZINC000302432923 490199001 /nfs/dbraw/zinc/19/90/01/490199001.db2.gz ABDWABAJRPHPMS-AWEZNQCLSA-N 1 0 237.387 3.114 10 0 BGAERO C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1CCCCCC1 ZINC000302439215 490596248 /nfs/dbraw/zinc/59/62/48/490596248.db2.gz UFFKXCFDULJOOL-GXTWGEPZSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1CCCCCC1 ZINC000302439216 490596025 /nfs/dbraw/zinc/59/60/25/490596025.db2.gz UFFKXCFDULJOOL-JSGCOSHPSA-N 1 0 241.419 3.342 10 0 BGAERO C[NH+](C)Cc1cccc(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000302500366 350089239 /nfs/dbraw/zinc/08/92/39/350089239.db2.gz ADFOHAODYVBDRW-NUEKZKHPSA-N 1 0 244.382 3.349 10 0 BGAERO CC(C)CC[C@H]([NH2+]CC[C@H]1CCCO1)C1CC1 ZINC000302527970 487822938 /nfs/dbraw/zinc/82/29/38/487822938.db2.gz QNEWROSOEZPYFL-CABCVRRESA-N 1 0 239.403 3.360 10 0 BGAERO CC(C)CC[C@H]([NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000302527972 487968541 /nfs/dbraw/zinc/96/85/41/487968541.db2.gz QNEWROSOEZPYFL-GJZGRUSLSA-N 1 0 239.403 3.360 10 0 BGAERO CC(C)CC[C@@H]([NH2+]CC[C@H]1CCCO1)C1CC1 ZINC000302527974 487968182 /nfs/dbraw/zinc/96/81/82/487968182.db2.gz QNEWROSOEZPYFL-HUUCEWRRSA-N 1 0 239.403 3.360 10 0 BGAERO CC(C)CC[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CC1 ZINC000302527976 487969075 /nfs/dbraw/zinc/96/90/75/487969075.db2.gz QNEWROSOEZPYFL-LSDHHAIUSA-N 1 0 239.403 3.360 10 0 BGAERO CC[C@H](Nc1cc[nH+]c(C)c1)c1ccncc1 ZINC000302533863 386924953 /nfs/dbraw/zinc/92/49/53/386924953.db2.gz DJWCXEJBJLGMSF-AWEZNQCLSA-N 1 0 227.311 3.348 10 0 BGAERO CC[C@@H](Nc1cc[nH+]c(C)c1)c1ccncc1 ZINC000302533864 170916700 /nfs/dbraw/zinc/91/67/00/170916700.db2.gz DJWCXEJBJLGMSF-CQSZACIVSA-N 1 0 227.311 3.348 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@@H](CO)CC(C)C)C1CC1 ZINC000302563969 323100940 /nfs/dbraw/zinc/10/09/40/323100940.db2.gz ZFDRATDWROCKCN-CABCVRRESA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@H](CO)CC(C)C)C1CC1 ZINC000302563970 323100941 /nfs/dbraw/zinc/10/09/41/323100941.db2.gz ZFDRATDWROCKCN-GJZGRUSLSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)CC[C@@H]([NH2+][C@@H](CO)CC(C)C)C1CC1 ZINC000302563971 323100910 /nfs/dbraw/zinc/10/09/10/323100910.db2.gz ZFDRATDWROCKCN-HUUCEWRRSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)CC[C@@H]([NH2+][C@H](CO)CC(C)C)C1CC1 ZINC000302563972 323100923 /nfs/dbraw/zinc/10/09/23/323100923.db2.gz ZFDRATDWROCKCN-LSDHHAIUSA-N 1 0 241.419 3.198 10 0 BGAERO Cc1cc(N[C@@H](c2nccs2)C2CC2)cc[nH+]1 ZINC000302564349 178180187 /nfs/dbraw/zinc/18/01/87/178180187.db2.gz MQORAJCFKPKRQA-GFCCVEGCSA-N 1 0 245.351 3.410 10 0 BGAERO Cc1cc(N[C@H](c2nccs2)C2CC2)cc[nH+]1 ZINC000302564350 178186863 /nfs/dbraw/zinc/18/68/63/178186863.db2.gz MQORAJCFKPKRQA-LBPRGKRZSA-N 1 0 245.351 3.410 10 0 BGAERO Cc1cc(N(C)Cc2cc(Cl)cn2C)cc[nH+]1 ZINC000302571522 187206917 /nfs/dbraw/zinc/20/69/17/187206917.db2.gz PSXGRNVOKPVGJO-UHFFFAOYSA-N 1 0 249.745 3.018 10 0 BGAERO Cc1cc(N[C@H](C)c2cccc(O)c2)cc[nH+]1 ZINC000302572340 178187705 /nfs/dbraw/zinc/18/77/05/178187705.db2.gz PYLVLVKPSRQGQX-LLVKDONJSA-N 1 0 228.295 3.269 10 0 BGAERO CC(C)C(C[NH2+]C[C@@H]1CCCC[C@H]1O)C(C)C ZINC000302616975 527587301 /nfs/dbraw/zinc/58/73/01/527587301.db2.gz ZFIHOWCGMNQZNP-DZGCQCFKSA-N 1 0 241.419 3.055 10 0 BGAERO CC(C)C(C[NH2+]C[C@H]1CCCC[C@@H]1O)C(C)C ZINC000302616976 527587459 /nfs/dbraw/zinc/58/74/59/527587459.db2.gz ZFIHOWCGMNQZNP-HIFRSBDPSA-N 1 0 241.419 3.055 10 0 BGAERO CC(C)C(C[NH2+]C[C@H]1CCCC[C@H]1O)C(C)C ZINC000302616977 527587633 /nfs/dbraw/zinc/58/76/33/527587633.db2.gz ZFIHOWCGMNQZNP-UKRRQHHQSA-N 1 0 241.419 3.055 10 0 BGAERO CC(C)C(C[NH2+]C[C@@H]1CCCC[C@@H]1O)C(C)C ZINC000302616978 527587291 /nfs/dbraw/zinc/58/72/91/527587291.db2.gz ZFIHOWCGMNQZNP-ZFWWWQNUSA-N 1 0 241.419 3.055 10 0 BGAERO C[NH+](C)Cc1ccc(N[C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000302679794 323028224 /nfs/dbraw/zinc/02/82/24/323028224.db2.gz PFBRQZPRKNKXFF-NUEKZKHPSA-N 1 0 244.382 3.349 10 0 BGAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000302679804 183452582 /nfs/dbraw/zinc/45/25/82/183452582.db2.gz PFPRMSNYLYWFCU-MYPMTAMASA-N 1 0 243.350 3.288 10 0 BGAERO Cc1cc(N(C)Cc2ccc(C)c(F)c2)cc[nH+]1 ZINC000302731420 386933332 /nfs/dbraw/zinc/93/33/32/386933332.db2.gz SVLHFKAELUVHAF-UHFFFAOYSA-N 1 0 244.313 3.474 10 0 BGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]CCF ZINC000303589542 529055740 /nfs/dbraw/zinc/05/57/40/529055740.db2.gz RNLZSLPUJKNAPX-CYBMUJFWSA-N 1 0 221.319 3.259 10 0 BGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]CCF ZINC000303589544 529056450 /nfs/dbraw/zinc/05/64/50/529056450.db2.gz RNLZSLPUJKNAPX-ZDUSSCGKSA-N 1 0 221.319 3.259 10 0 BGAERO CC(C)(C)SCC[NH2+]CCc1ccccc1 ZINC000303656048 644835681 /nfs/dbraw/zinc/83/56/81/644835681.db2.gz XDJVFVFTQJQGIV-UHFFFAOYSA-N 1 0 237.412 3.350 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1cc2nc(C)ccc2o1 ZINC000304283384 537904580 /nfs/dbraw/zinc/90/45/80/537904580.db2.gz FSHBWGUEPKOKQH-AMIZOPFISA-N 1 0 218.300 3.182 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1cc2nc(C)ccc2o1 ZINC000304283385 537904493 /nfs/dbraw/zinc/90/44/93/537904493.db2.gz FSHBWGUEPKOKQH-ISVAXAHUSA-N 1 0 218.300 3.182 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1cc2nc(C)ccc2o1 ZINC000304283386 537904665 /nfs/dbraw/zinc/90/46/65/537904665.db2.gz FSHBWGUEPKOKQH-OQPBUACISA-N 1 0 218.300 3.182 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1cc2nc(C)ccc2o1 ZINC000304283387 537905216 /nfs/dbraw/zinc/90/52/16/537905216.db2.gz FSHBWGUEPKOKQH-SDBXPKJASA-N 1 0 218.300 3.182 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+]CC[C@H]1CCCO1 ZINC000304322437 490271172 /nfs/dbraw/zinc/27/11/72/490271172.db2.gz CIKGAKYEGLQREB-CHWSQXEVSA-N 1 0 227.392 3.360 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CCCO1 ZINC000304322439 490271212 /nfs/dbraw/zinc/27/12/12/490271212.db2.gz CIKGAKYEGLQREB-OLZOCXBDSA-N 1 0 227.392 3.360 10 0 BGAERO C[C@@H](CCC(C)(C)C)[NH2+]CC[C@H]1CCCO1 ZINC000304322441 490270730 /nfs/dbraw/zinc/27/07/30/490270730.db2.gz CIKGAKYEGLQREB-QWHCGFSZSA-N 1 0 227.392 3.360 10 0 BGAERO C[C@@H](CCC(C)(C)C)[NH2+]CC[C@@H]1CCCO1 ZINC000304322442 490270706 /nfs/dbraw/zinc/27/07/06/490270706.db2.gz CIKGAKYEGLQREB-STQMWFEESA-N 1 0 227.392 3.360 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C[C@H](C)C(C)(C)C)o1 ZINC000304346660 487487433 /nfs/dbraw/zinc/48/74/33/487487433.db2.gz WMAXFKMCPISAEO-GXSJLCMTSA-N 1 0 224.348 3.316 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H](C)C(C)(C)C)o1 ZINC000304346662 487487607 /nfs/dbraw/zinc/48/76/07/487487607.db2.gz WMAXFKMCPISAEO-KOLCDFICSA-N 1 0 224.348 3.316 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H](C)C(C)(C)C)o1 ZINC000304346663 487487409 /nfs/dbraw/zinc/48/74/09/487487409.db2.gz WMAXFKMCPISAEO-MWLCHTKSSA-N 1 0 224.348 3.316 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@H](C)C(C)(C)C)o1 ZINC000304346665 487487563 /nfs/dbraw/zinc/48/75/63/487487563.db2.gz WMAXFKMCPISAEO-ONGXEEELSA-N 1 0 224.348 3.316 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000304384661 491125441 /nfs/dbraw/zinc/12/54/41/491125441.db2.gz LJSDGRUKKAMPPS-AGIUHOORSA-N 1 0 227.392 3.094 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000304384663 537962088 /nfs/dbraw/zinc/96/20/88/537962088.db2.gz LJSDGRUKKAMPPS-FRRDWIJNSA-N 1 0 227.392 3.094 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000304384665 537962117 /nfs/dbraw/zinc/96/21/17/537962117.db2.gz LJSDGRUKKAMPPS-JHJVBQTASA-N 1 0 227.392 3.094 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000304384667 631300398 /nfs/dbraw/zinc/30/03/98/631300398.db2.gz LJSDGRUKKAMPPS-UPJWGTAASA-N 1 0 227.392 3.094 10 0 BGAERO FC(F)(F)CCCC[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000304528203 411370955 /nfs/dbraw/zinc/37/09/55/411370955.db2.gz GJETXWDTJVAPTI-HBNTYKKESA-N 1 0 235.293 3.497 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)o1 ZINC000305899423 179648361 /nfs/dbraw/zinc/64/83/61/179648361.db2.gz QJCBLGNYANNJMG-NXEZZACHSA-N 1 0 244.285 3.069 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)o1 ZINC000305899424 490624287 /nfs/dbraw/zinc/62/42/87/490624287.db2.gz QJCBLGNYANNJMG-UWVGGRQHSA-N 1 0 244.285 3.069 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCC(F)(F)C2)o1 ZINC000305899425 490624246 /nfs/dbraw/zinc/62/42/46/490624246.db2.gz QJCBLGNYANNJMG-VHSXEESVSA-N 1 0 244.285 3.069 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C[C@H]2CCC(F)(F)C2)o1 ZINC000305899426 490623555 /nfs/dbraw/zinc/62/35/55/490623555.db2.gz QJCBLGNYANNJMG-ZJUUUORDSA-N 1 0 244.285 3.069 10 0 BGAERO CC(C)C[C@H](C)C[NH2+][C@@H]1COc2ccccc21 ZINC000305900261 528462253 /nfs/dbraw/zinc/46/22/53/528462253.db2.gz AJZLFWQBOGHUFG-GXTWGEPZSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)C[C@H](C)C[NH2+][C@H]1COc2ccccc21 ZINC000305900312 528462288 /nfs/dbraw/zinc/46/22/88/528462288.db2.gz AJZLFWQBOGHUFG-JSGCOSHPSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)C[C@@H](C)C[NH2+][C@H]1COc2ccccc21 ZINC000305900314 528253444 /nfs/dbraw/zinc/25/34/44/528253444.db2.gz AJZLFWQBOGHUFG-OCCSQVGLSA-N 1 0 233.355 3.392 10 0 BGAERO CC(C)C[C@@H](C)C[NH2+][C@@H]1COc2ccccc21 ZINC000305900316 528253149 /nfs/dbraw/zinc/25/31/49/528253149.db2.gz AJZLFWQBOGHUFG-TZMCWYRMSA-N 1 0 233.355 3.392 10 0 BGAERO C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1CCCCCC1 ZINC000306054180 490625192 /nfs/dbraw/zinc/62/51/92/490625192.db2.gz UFFKXCFDULJOOL-OCCSQVGLSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1CCCCCC1 ZINC000306054181 490625636 /nfs/dbraw/zinc/62/56/36/490625636.db2.gz UFFKXCFDULJOOL-TZMCWYRMSA-N 1 0 241.419 3.342 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000306057442 384528566 /nfs/dbraw/zinc/52/85/66/384528566.db2.gz RKMWYFIFSUQHFC-KBPBESRZSA-N 1 0 240.435 3.275 10 0 BGAERO CCN1CCC[C@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000306057443 384528331 /nfs/dbraw/zinc/52/83/31/384528331.db2.gz RKMWYFIFSUQHFC-KGLIPLIRSA-N 1 0 240.435 3.275 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@@H](C)CCC(C)(C)C)C1 ZINC000306057444 384528152 /nfs/dbraw/zinc/52/81/52/384528152.db2.gz RKMWYFIFSUQHFC-UONOGXRCSA-N 1 0 240.435 3.275 10 0 BGAERO CCN1CCC[C@@H]([NH2+][C@H](C)CCC(C)(C)C)C1 ZINC000306057445 384527322 /nfs/dbraw/zinc/52/73/22/384527322.db2.gz RKMWYFIFSUQHFC-ZIAGYGMSSA-N 1 0 240.435 3.275 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000306060739 487606139 /nfs/dbraw/zinc/60/61/39/487606139.db2.gz SIANKIGLPQZWSG-ILXRZTDVSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000306060741 487606348 /nfs/dbraw/zinc/60/63/48/487606348.db2.gz SIANKIGLPQZWSG-KFWWJZLASA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CC1 ZINC000306060744 487606330 /nfs/dbraw/zinc/60/63/30/487606330.db2.gz SIANKIGLPQZWSG-KKUMJFAQSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000306060747 487606516 /nfs/dbraw/zinc/60/65/16/487606516.db2.gz SIANKIGLPQZWSG-ZNMIVQPWSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1cccc(O)c1 ZINC000306107673 411433180 /nfs/dbraw/zinc/43/31/80/411433180.db2.gz SCETUDQMXKBBTC-OBCWZRDOSA-N 1 0 231.339 3.231 10 0 BGAERO Clc1csc([C@H]2[NH2+]CC23CCC3)c1 ZINC000306148192 358758876 /nfs/dbraw/zinc/75/88/76/358758876.db2.gz BQYURBGKAFHCKA-SECBINFHSA-N 1 0 213.733 3.216 10 0 BGAERO Clc1csc([C@@H]2[NH2+]CC23CCC3)c1 ZINC000306148194 358758865 /nfs/dbraw/zinc/75/88/65/358758865.db2.gz BQYURBGKAFHCKA-VIFPVBQESA-N 1 0 213.733 3.216 10 0 BGAERO [NH3+]Cc1c(Br)scc1C1CCC1 ZINC000306153941 358923906 /nfs/dbraw/zinc/92/39/06/358923906.db2.gz BETMNDSNWJLTKS-UHFFFAOYSA-N 1 0 246.173 3.237 10 0 BGAERO CC(C)([NH2+]C1CC1)c1ccc(Cl)cc1 ZINC000306157086 358948597 /nfs/dbraw/zinc/94/85/97/358948597.db2.gz CVLVBHRGFPJKNS-UHFFFAOYSA-N 1 0 209.720 3.327 10 0 BGAERO CCC[C@@]1(C2CCCC2)[NH2+]CCCS1 ZINC000306159144 387961314 /nfs/dbraw/zinc/96/13/14/387961314.db2.gz FDEFNFTXCHGPPG-GFCCVEGCSA-N 1 0 213.390 3.400 10 0 BGAERO CCC[C@]1(C2CCCC2)[NH2+]CCCS1 ZINC000306159153 387962338 /nfs/dbraw/zinc/96/23/38/387962338.db2.gz FDEFNFTXCHGPPG-LBPRGKRZSA-N 1 0 213.390 3.400 10 0 BGAERO C[C@H]([C@@H]([NH3+])c1cccs1)C(C)(F)F ZINC000306160950 358966071 /nfs/dbraw/zinc/96/60/71/358966071.db2.gz GBKALSRITSRAOB-HTRCEHHLSA-N 1 0 205.273 3.039 10 0 BGAERO C[C@@H]([C@@H]([NH3+])c1cccs1)C(C)(F)F ZINC000306160951 358965874 /nfs/dbraw/zinc/96/58/74/358965874.db2.gz GBKALSRITSRAOB-POYBYMJQSA-N 1 0 205.273 3.039 10 0 BGAERO C[C@H]([C@H]([NH3+])c1cccs1)C(C)(F)F ZINC000306160952 358965981 /nfs/dbraw/zinc/96/59/81/358965981.db2.gz GBKALSRITSRAOB-SVRRBLITSA-N 1 0 205.273 3.039 10 0 BGAERO C[C@@H]([C@H]([NH3+])c1cccs1)C(C)(F)F ZINC000306160953 358965965 /nfs/dbraw/zinc/96/59/65/358965965.db2.gz GBKALSRITSRAOB-XPUUQOCRSA-N 1 0 205.273 3.039 10 0 BGAERO CC1(C)CCC(C[NH3+])(CC(F)F)CC1 ZINC000306163286 358972506 /nfs/dbraw/zinc/97/25/06/358972506.db2.gz RNBYVKQXYWGILE-UHFFFAOYSA-N 1 0 205.292 3.187 10 0 BGAERO [NH3+][C@H]1C=C(c2ccsc2Cl)CCC1 ZINC000306164937 358974221 /nfs/dbraw/zinc/97/42/21/358974221.db2.gz APAIDTMBGVCXAQ-MRVPVSSYSA-N 1 0 213.733 3.296 10 0 BGAERO [NH3+][C@@H]1C=C(c2ccsc2Cl)CCC1 ZINC000306164938 358974198 /nfs/dbraw/zinc/97/41/98/358974198.db2.gz APAIDTMBGVCXAQ-QMMMGPOBSA-N 1 0 213.733 3.296 10 0 BGAERO CC(C)C1CCC([NH3+])(CC(F)F)CC1 ZINC000306165382 358974031 /nfs/dbraw/zinc/97/40/31/358974031.db2.gz TUNZMYFBADLKNR-UHFFFAOYSA-N 1 0 205.292 3.185 10 0 BGAERO Cc1ccc(Cl)c([C@H](F)C(C)(C)[NH3+])c1 ZINC000306168221 358977550 /nfs/dbraw/zinc/97/75/50/358977550.db2.gz JQEXTTWTUBNSTL-JTQLQIEISA-N 1 0 215.699 3.396 10 0 BGAERO Cc1ccc(Cl)c([C@@H](F)C(C)(C)[NH3+])c1 ZINC000306168228 358977499 /nfs/dbraw/zinc/97/74/99/358977499.db2.gz JQEXTTWTUBNSTL-SNVBAGLBSA-N 1 0 215.699 3.396 10 0 BGAERO C[NH2+][C@@H]1CC[C@@H](c2ccsc2Cl)C1 ZINC000306168630 358977474 /nfs/dbraw/zinc/97/74/74/358977474.db2.gz CMKYQRITUZBKRA-HTQZYQBOSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@@H]1CC[C@H](c2ccsc2Cl)C1 ZINC000306168639 358977595 /nfs/dbraw/zinc/97/75/95/358977595.db2.gz CMKYQRITUZBKRA-JGVFFNPUSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@H]1CC[C@@H](c2ccsc2Cl)C1 ZINC000306168648 358977241 /nfs/dbraw/zinc/97/72/41/358977241.db2.gz CMKYQRITUZBKRA-SFYZADRCSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@H]1CC[C@H](c2ccsc2Cl)C1 ZINC000306168658 358977207 /nfs/dbraw/zinc/97/72/07/358977207.db2.gz CMKYQRITUZBKRA-YUMQZZPRSA-N 1 0 215.749 3.257 10 0 BGAERO CC1=C(c2sccc2Cl)C[NH2+]CC1 ZINC000306170549 358979593 /nfs/dbraw/zinc/97/95/93/358979593.db2.gz HDZVJLWSGHHUAM-UHFFFAOYSA-N 1 0 213.733 3.168 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1ccsc1Cl ZINC000306175262 358984884 /nfs/dbraw/zinc/98/48/84/358984884.db2.gz WLMSCMZTJDZRQN-HTQZYQBOSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@H](c2ccsc2Cl)[C@@H]1C[NH3+] ZINC000306175265 358984955 /nfs/dbraw/zinc/98/49/55/358984955.db2.gz WLMSCMZTJDZRQN-JGVFFNPUSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1ccsc1Cl ZINC000306175268 358985047 /nfs/dbraw/zinc/98/50/47/358985047.db2.gz WLMSCMZTJDZRQN-SFYZADRCSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1ccsc1Cl ZINC000306175271 358984830 /nfs/dbraw/zinc/98/48/30/358984830.db2.gz WLMSCMZTJDZRQN-YUMQZZPRSA-N 1 0 215.749 3.100 10 0 BGAERO C/C(=C/c1cc(Br)ccc1C)C[NH3+] ZINC000306178646 358990379 /nfs/dbraw/zinc/99/03/79/358990379.db2.gz QFCCJFALZSUTAA-YVMONPNESA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1c1ccsc1Cl ZINC000306179671 358992506 /nfs/dbraw/zinc/99/25/06/358992506.db2.gz WHJXAFNIORVUPP-ACLDMZEESA-N 1 0 215.749 3.242 10 0 BGAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1c1ccsc1Cl ZINC000306179672 358992102 /nfs/dbraw/zinc/99/21/02/358992102.db2.gz WHJXAFNIORVUPP-LKEWCRSYSA-N 1 0 215.749 3.242 10 0 BGAERO C[C@H]1[C@H](c2ccsc2Cl)CC[C@@H]1[NH3+] ZINC000306179673 358992664 /nfs/dbraw/zinc/99/26/64/358992664.db2.gz WHJXAFNIORVUPP-OOZYFLPDSA-N 1 0 215.749 3.242 10 0 BGAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1c1ccsc1Cl ZINC000306179674 358992641 /nfs/dbraw/zinc/99/26/41/358992641.db2.gz WHJXAFNIORVUPP-ZKWXMUAHSA-N 1 0 215.749 3.242 10 0 BGAERO Clc1cc(C[C@H]2CCCC[NH2+]2)cs1 ZINC000306180452 358991454 /nfs/dbraw/zinc/99/14/54/358991454.db2.gz RRFSNVLEXAJMBB-SECBINFHSA-N 1 0 215.749 3.086 10 0 BGAERO Clc1cc(C[C@@H]2CCCC[NH2+]2)cs1 ZINC000306180453 358991630 /nfs/dbraw/zinc/99/16/30/358991630.db2.gz RRFSNVLEXAJMBB-VIFPVBQESA-N 1 0 215.749 3.086 10 0 BGAERO Cc1ccc(Cl)c(C2=C[C@@H]([NH3+])CC2)c1 ZINC000306180910 398120614 /nfs/dbraw/zinc/12/06/14/398120614.db2.gz SNFANKNUYBFUBM-JTQLQIEISA-N 1 0 207.704 3.153 10 0 BGAERO Cc1ccc(Cl)c(C2=C[C@H]([NH3+])CC2)c1 ZINC000306180911 398120659 /nfs/dbraw/zinc/12/06/59/398120659.db2.gz SNFANKNUYBFUBM-SNVBAGLBSA-N 1 0 207.704 3.153 10 0 BGAERO Cc1ccc(Cl)c([C@](C)([NH3+])C(C)C)c1 ZINC000306182644 359000799 /nfs/dbraw/zinc/00/07/99/359000799.db2.gz XVICIKPSMVPUPJ-GFCCVEGCSA-N 1 0 211.736 3.478 10 0 BGAERO Cc1ccc(Cl)c([C@@](C)([NH3+])C(C)C)c1 ZINC000306182645 359000829 /nfs/dbraw/zinc/00/08/29/359000829.db2.gz XVICIKPSMVPUPJ-LBPRGKRZSA-N 1 0 211.736 3.478 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1cc(F)cc(Cl)c1 ZINC000306186296 359001775 /nfs/dbraw/zinc/00/17/75/359001775.db2.gz AQXAHLYFCRBPGP-JTQLQIEISA-N 1 0 213.683 3.150 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1cc(F)cc(Cl)c1 ZINC000306186297 359001671 /nfs/dbraw/zinc/00/16/71/359001671.db2.gz AQXAHLYFCRBPGP-SNVBAGLBSA-N 1 0 213.683 3.150 10 0 BGAERO CC[C@](C)([NH3+])c1c(Cl)ccc(F)c1F ZINC000306188815 359005457 /nfs/dbraw/zinc/00/54/57/359005457.db2.gz CCIGQAWQHOYYPE-JTQLQIEISA-N 1 0 219.662 3.202 10 0 BGAERO CC[C@@](C)([NH3+])c1c(Cl)ccc(F)c1F ZINC000306188816 359005499 /nfs/dbraw/zinc/00/54/99/359005499.db2.gz CCIGQAWQHOYYPE-SNVBAGLBSA-N 1 0 219.662 3.202 10 0 BGAERO [NH3+]CC1(CC(F)(F)F)CCCCCC1 ZINC000306193178 398123026 /nfs/dbraw/zinc/12/30/26/398123026.db2.gz SONSCBINROUKET-UHFFFAOYSA-N 1 0 209.255 3.238 10 0 BGAERO [NH3+][C@H]1CCc2cccc(OCc3ccccc3)c21 ZINC000306196728 359025590 /nfs/dbraw/zinc/02/55/90/359025590.db2.gz WIOBSELQCUFEGD-AWEZNQCLSA-N 1 0 239.318 3.212 10 0 BGAERO C[C@@H](CC[NH3+])c1c(Cl)ccc(F)c1F ZINC000306196892 359025257 /nfs/dbraw/zinc/02/52/57/359025257.db2.gz QXNFRWSCEKNRNV-LURJTMIESA-N 1 0 219.662 3.071 10 0 BGAERO C[C@H](CC[NH3+])c1c(Cl)ccc(F)c1F ZINC000306196893 359025251 /nfs/dbraw/zinc/02/52/51/359025251.db2.gz QXNFRWSCEKNRNV-ZCFIWIBFSA-N 1 0 219.662 3.071 10 0 BGAERO CC(C)C1(C(C)C)[NH2+]C(C)(C)CS1 ZINC000306197145 359025199 /nfs/dbraw/zinc/02/51/99/359025199.db2.gz ODQJYYNLORJZKE-UHFFFAOYSA-N 1 0 201.379 3.110 10 0 BGAERO Cc1sc(Cl)c(C[NH3+])c1[C@@H]1C[C@@H]1C ZINC000306201921 359289620 /nfs/dbraw/zinc/28/96/20/359289620.db2.gz XKTDSVXGOSVTCA-CAHLUQPWSA-N 1 0 215.749 3.292 10 0 BGAERO Cc1sc(Cl)c(C[NH3+])c1[C@H]1C[C@@H]1C ZINC000306201924 359289668 /nfs/dbraw/zinc/28/96/68/359289668.db2.gz XKTDSVXGOSVTCA-FSPLSTOPSA-N 1 0 215.749 3.292 10 0 BGAERO Cc1sc(Cl)c(C[NH3+])c1[C@@H]1C[C@H]1C ZINC000306201926 359289676 /nfs/dbraw/zinc/28/96/76/359289676.db2.gz XKTDSVXGOSVTCA-IYSWYEEDSA-N 1 0 215.749 3.292 10 0 BGAERO Cc1sc(Cl)c(C[NH3+])c1[C@H]1C[C@H]1C ZINC000306201928 359289697 /nfs/dbraw/zinc/28/96/97/359289697.db2.gz XKTDSVXGOSVTCA-VDTYLAMSSA-N 1 0 215.749 3.292 10 0 BGAERO C[C@@H]([C@@H]([NH3+])c1ccsc1Cl)C1CC1 ZINC000306203676 359293581 /nfs/dbraw/zinc/29/35/81/359293581.db2.gz MTNOAEMVRIEZIT-HZGVNTEJSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@H]([C@@H]([NH3+])c1ccsc1Cl)C1CC1 ZINC000306203678 352992943 /nfs/dbraw/zinc/99/29/43/352992943.db2.gz MTNOAEMVRIEZIT-IMTBSYHQSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]([C@H]([NH3+])c1ccsc1Cl)C1CC1 ZINC000306203680 359293613 /nfs/dbraw/zinc/29/36/13/359293613.db2.gz MTNOAEMVRIEZIT-MUWHJKNJSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@H]([C@H]([NH3+])c1ccsc1Cl)C1CC1 ZINC000306203682 359293711 /nfs/dbraw/zinc/29/37/11/359293711.db2.gz MTNOAEMVRIEZIT-RCOVLWMOSA-N 1 0 215.749 3.447 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](CSC2CCCCC2)C1 ZINC000306204300 359294403 /nfs/dbraw/zinc/29/44/03/359294403.db2.gz NIGYZJDQIAXFJZ-GHMZBOCLSA-N 1 0 213.390 3.180 10 0 BGAERO [NH3+][C@H]1CC[C@@H](CSC2CCCCC2)C1 ZINC000306204301 359294381 /nfs/dbraw/zinc/29/43/81/359294381.db2.gz NIGYZJDQIAXFJZ-MNOVXSKESA-N 1 0 213.390 3.180 10 0 BGAERO [NH3+][C@H]1CC[C@H](CSC2CCCCC2)C1 ZINC000306204302 359294371 /nfs/dbraw/zinc/29/43/71/359294371.db2.gz NIGYZJDQIAXFJZ-QWRGUYRKSA-N 1 0 213.390 3.180 10 0 BGAERO [NH3+][C@@H]1CC[C@H](CSC2CCCCC2)C1 ZINC000306204304 359294322 /nfs/dbraw/zinc/29/43/22/359294322.db2.gz NIGYZJDQIAXFJZ-WDEREUQCSA-N 1 0 213.390 3.180 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1Cc1sccc1Cl ZINC000306206841 359298160 /nfs/dbraw/zinc/29/81/60/359298160.db2.gz WXMLBFXZLURZHS-APPZFPTMSA-N 1 0 215.749 3.071 10 0 BGAERO F[C@@]1(c2ccsc2Cl)CCC[NH2+]CC1 ZINC000306207094 359298337 /nfs/dbraw/zinc/29/83/37/359298337.db2.gz QKUPHXBPKZNZFR-JTQLQIEISA-N 1 0 233.739 3.340 10 0 BGAERO F[C@]1(c2ccsc2Cl)CCC[NH2+]CC1 ZINC000306207096 359298355 /nfs/dbraw/zinc/29/83/55/359298355.db2.gz QKUPHXBPKZNZFR-SNVBAGLBSA-N 1 0 233.739 3.340 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1Cc1sccc1Cl ZINC000306207311 372000200 /nfs/dbraw/zinc/00/02/00/372000200.db2.gz WXMLBFXZLURZHS-CBAPKCEASA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1Cc1sccc1Cl ZINC000306207312 372000132 /nfs/dbraw/zinc/00/01/32/372000132.db2.gz WXMLBFXZLURZHS-IONNQARKSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1sccc1Cl ZINC000306207313 372000122 /nfs/dbraw/zinc/00/01/22/372000122.db2.gz WXMLBFXZLURZHS-VXNVDRBHSA-N 1 0 215.749 3.071 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000306207901 359297902 /nfs/dbraw/zinc/29/79/02/359297902.db2.gz RGTNLPCLBXJMDB-NEPJUHHUSA-N 1 0 209.720 3.401 10 0 BGAERO CC[C@]1(C)C[NH2+][C@H]1c1cccc(Cl)c1 ZINC000306207902 359297904 /nfs/dbraw/zinc/29/79/04/359297904.db2.gz RGTNLPCLBXJMDB-NWDGAFQWSA-N 1 0 209.720 3.401 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@H]1c1cccc(Cl)c1 ZINC000306207903 359297912 /nfs/dbraw/zinc/29/79/12/359297912.db2.gz RGTNLPCLBXJMDB-RYUDHWBXSA-N 1 0 209.720 3.401 10 0 BGAERO CC[C@]1(C)C[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000306207904 359297911 /nfs/dbraw/zinc/29/79/11/359297911.db2.gz RGTNLPCLBXJMDB-VXGBXAGGSA-N 1 0 209.720 3.401 10 0 BGAERO Cc1cc(Br)c([C@H](C)[NH3+])cc1Cl ZINC000306208702 387188715 /nfs/dbraw/zinc/18/87/15/387188715.db2.gz LWTSQEPSFBSRMQ-LURJTMIESA-N 1 0 248.551 3.431 10 0 BGAERO Cc1cc(Br)c([C@@H](C)[NH3+])cc1Cl ZINC000306208703 387189150 /nfs/dbraw/zinc/18/91/50/387189150.db2.gz LWTSQEPSFBSRMQ-ZCFIWIBFSA-N 1 0 248.551 3.431 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1c(F)cccc1Cl ZINC000306213753 352995410 /nfs/dbraw/zinc/99/54/10/352995410.db2.gz XPSQAIYKCGFZMV-JTQLQIEISA-N 1 0 213.683 3.150 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1c(F)cccc1Cl ZINC000306213754 359317141 /nfs/dbraw/zinc/31/71/41/359317141.db2.gz XPSQAIYKCGFZMV-SNVBAGLBSA-N 1 0 213.683 3.150 10 0 BGAERO Clc1ccc(SCC2C[NH2+]C2)c(Cl)c1 ZINC000306214222 359314752 /nfs/dbraw/zinc/31/47/52/359314752.db2.gz MROVWAGTKNDHNX-UHFFFAOYSA-N 1 0 248.178 3.305 10 0 BGAERO Cc1cc([C@@H]2[NH2+]C(C)(C)CS2)cs1 ZINC000306216610 371999874 /nfs/dbraw/zinc/99/98/74/371999874.db2.gz PSBAJCOWTRUXIX-SECBINFHSA-N 1 0 213.371 3.170 10 0 BGAERO Cc1cc([C@H]2[NH2+]C(C)(C)CS2)cs1 ZINC000306216612 372000611 /nfs/dbraw/zinc/00/06/11/372000611.db2.gz PSBAJCOWTRUXIX-VIFPVBQESA-N 1 0 213.371 3.170 10 0 BGAERO C[C@@H]1CCC[C@@H]([C@H](F)CC(C)(C)[NH3+])C1 ZINC000306217899 387292155 /nfs/dbraw/zinc/29/21/55/387292155.db2.gz DPNUNMLMETVACK-GMTAPVOTSA-N 1 0 201.329 3.278 10 0 BGAERO C[C@@H]1CCC[C@@H]([C@@H](F)CC(C)(C)[NH3+])C1 ZINC000306217900 387292543 /nfs/dbraw/zinc/29/25/43/387292543.db2.gz DPNUNMLMETVACK-MXWKQRLJSA-N 1 0 201.329 3.278 10 0 BGAERO C[C@@H]1CCC[C@H]([C@H](F)CC(C)(C)[NH3+])C1 ZINC000306217901 387293939 /nfs/dbraw/zinc/29/39/39/387293939.db2.gz DPNUNMLMETVACK-OUAUKWLOSA-N 1 0 201.329 3.278 10 0 BGAERO C[C@@H]1CCC[C@H]([C@@H](F)CC(C)(C)[NH3+])C1 ZINC000306217902 387292566 /nfs/dbraw/zinc/29/25/66/387292566.db2.gz DPNUNMLMETVACK-VWYCJHECSA-N 1 0 201.329 3.278 10 0 BGAERO Cc1sc(Cl)c(C[NH3+])c1C1CCC1 ZINC000306218763 359336929 /nfs/dbraw/zinc/33/69/29/359336929.db2.gz RRSYZJHUVLAMBL-UHFFFAOYSA-N 1 0 215.749 3.436 10 0 BGAERO CC[C@@]1(c2ccsc2Cl)CCC[NH2+]1 ZINC000306218952 359337053 /nfs/dbraw/zinc/33/70/53/359337053.db2.gz PFXIHHWHCNYXMK-JTQLQIEISA-N 1 0 215.749 3.390 10 0 BGAERO CC[C@]1(c2ccsc2Cl)CCC[NH2+]1 ZINC000306218953 359337283 /nfs/dbraw/zinc/33/72/83/359337283.db2.gz PFXIHHWHCNYXMK-SNVBAGLBSA-N 1 0 215.749 3.390 10 0 BGAERO Cc1cc(CC2([NH3+])CCCCC2)cs1 ZINC000306219198 359337235 /nfs/dbraw/zinc/33/72/35/359337235.db2.gz GHJGEHCAHUSCGL-UHFFFAOYSA-N 1 0 209.358 3.261 10 0 BGAERO C[C@@H](Sc1cc(Cl)cc(Cl)c1)C(N)=[NH2+] ZINC000306220416 359341047 /nfs/dbraw/zinc/34/10/47/359341047.db2.gz OFXLJBXITUYOJX-RXMQYKEDSA-N 1 0 249.166 3.410 10 0 BGAERO C[C@H](Sc1cc(Cl)cc(Cl)c1)C(N)=[NH2+] ZINC000306220417 359340701 /nfs/dbraw/zinc/34/07/01/359340701.db2.gz OFXLJBXITUYOJX-YFKPBYRVSA-N 1 0 249.166 3.410 10 0 BGAERO [NH3+]C[C@H]1CC[C@@H]1c1ccc(Cl)cc1Cl ZINC000306222571 359344158 /nfs/dbraw/zinc/34/41/58/359344158.db2.gz XHWXVXBAVNRTPL-APPZFPTMSA-N 1 0 230.138 3.446 10 0 BGAERO [NH3+]C[C@@H]1CC[C@@H]1c1ccc(Cl)cc1Cl ZINC000306222572 359344634 /nfs/dbraw/zinc/34/46/34/359344634.db2.gz XHWXVXBAVNRTPL-CBAPKCEASA-N 1 0 230.138 3.446 10 0 BGAERO [NH3+]C[C@@H]1CC[C@H]1c1ccc(Cl)cc1Cl ZINC000306222573 359344711 /nfs/dbraw/zinc/34/47/11/359344711.db2.gz XHWXVXBAVNRTPL-IONNQARKSA-N 1 0 230.138 3.446 10 0 BGAERO [NH3+]C[C@H]1CC[C@H]1c1ccc(Cl)cc1Cl ZINC000306222574 359344306 /nfs/dbraw/zinc/34/43/06/359344306.db2.gz XHWXVXBAVNRTPL-VXNVDRBHSA-N 1 0 230.138 3.446 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@H]1c1ccsc1Cl ZINC000306222759 359344512 /nfs/dbraw/zinc/34/45/12/359344512.db2.gz XHVBLXUSURCLSZ-BDAKNGLRSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@@H]1c1ccsc1Cl ZINC000306222760 359344408 /nfs/dbraw/zinc/34/44/08/359344408.db2.gz XHVBLXUSURCLSZ-DTWKUNHWSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@H]1c1ccsc1Cl ZINC000306222762 359345294 /nfs/dbraw/zinc/34/52/94/359345294.db2.gz XHVBLXUSURCLSZ-IUCAKERBSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@@H]1c1ccsc1Cl ZINC000306222764 359345454 /nfs/dbraw/zinc/34/54/54/359345454.db2.gz XHVBLXUSURCLSZ-RKDXNWHRSA-N 1 0 215.749 3.318 10 0 BGAERO C[C@@H]1CC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000306224395 359348457 /nfs/dbraw/zinc/34/84/57/359348457.db2.gz DIWMOYNKIIMHQD-SSDOTTSWSA-N 1 0 230.566 3.089 10 0 BGAERO C[C@H]1CC[N@H+](CCC(Cl)(Cl)Cl)C1 ZINC000306224398 359348851 /nfs/dbraw/zinc/34/88/51/359348851.db2.gz DIWMOYNKIIMHQD-ZETCQYMHSA-N 1 0 230.566 3.089 10 0 BGAERO [NH3+]CC[C@@H](F)c1ccc(Cl)cc1Cl ZINC000306227640 359364144 /nfs/dbraw/zinc/36/41/44/359364144.db2.gz GYHODSLWEPWSTK-SECBINFHSA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+]CC[C@H](F)c1ccc(Cl)cc1Cl ZINC000306227642 359364102 /nfs/dbraw/zinc/36/41/02/359364102.db2.gz GYHODSLWEPWSTK-VIFPVBQESA-N 1 0 222.090 3.353 10 0 BGAERO CC(C)C[C@@H](C)[C@]1(F)CCC[NH2+]CC1 ZINC000306230168 359364839 /nfs/dbraw/zinc/36/48/39/359364839.db2.gz HJJNYMPLNYPPTK-NEPJUHHUSA-N 1 0 201.329 3.150 10 0 BGAERO CC(C)C[C@H](C)[C@@]1(F)CCC[NH2+]CC1 ZINC000306230180 359365116 /nfs/dbraw/zinc/36/51/16/359365116.db2.gz HJJNYMPLNYPPTK-NWDGAFQWSA-N 1 0 201.329 3.150 10 0 BGAERO CC(C)C[C@H](C)[C@]1(F)CCC[NH2+]CC1 ZINC000306230192 359364940 /nfs/dbraw/zinc/36/49/40/359364940.db2.gz HJJNYMPLNYPPTK-RYUDHWBXSA-N 1 0 201.329 3.150 10 0 BGAERO CC(C)C[C@@H](C)[C@@]1(F)CCC[NH2+]CC1 ZINC000306230202 359365312 /nfs/dbraw/zinc/36/53/12/359365312.db2.gz HJJNYMPLNYPPTK-VXGBXAGGSA-N 1 0 201.329 3.150 10 0 BGAERO CC[C@]1(C)C[NH2+][C@@H]1c1cc(Cl)cs1 ZINC000306237439 359398366 /nfs/dbraw/zinc/39/83/66/359398366.db2.gz HZIPXLLSCZYOSO-NXEZZACHSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@H]1c1cc(Cl)cs1 ZINC000306237446 359398120 /nfs/dbraw/zinc/39/81/20/359398120.db2.gz HZIPXLLSCZYOSO-UWVGGRQHSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@]1(C)C[NH2+][C@H]1c1cc(Cl)cs1 ZINC000306237449 359398215 /nfs/dbraw/zinc/39/82/15/359398215.db2.gz HZIPXLLSCZYOSO-VHSXEESVSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@@H]1c1cc(Cl)cs1 ZINC000306237452 359398613 /nfs/dbraw/zinc/39/86/13/359398613.db2.gz HZIPXLLSCZYOSO-ZJUUUORDSA-N 1 0 215.749 3.462 10 0 BGAERO Clc1cc(C[C@H]2CCC[NH2+]2)c(Cl)s1 ZINC000306237584 359398541 /nfs/dbraw/zinc/39/85/41/359398541.db2.gz MAFRVXWGZUZVSS-SSDOTTSWSA-N 1 0 236.167 3.349 10 0 BGAERO Clc1cc(C[C@@H]2CCC[NH2+]2)c(Cl)s1 ZINC000306237593 352998847 /nfs/dbraw/zinc/99/88/47/352998847.db2.gz MAFRVXWGZUZVSS-ZETCQYMHSA-N 1 0 236.167 3.349 10 0 BGAERO CC(C)([NH3+])C(C)(C)C(=O)c1ccsc1Cl ZINC000306239214 359400191 /nfs/dbraw/zinc/40/01/91/359400191.db2.gz QCJMYPJMQZITKN-UHFFFAOYSA-N 1 0 245.775 3.348 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1ccsc1Cl ZINC000306241528 359421354 /nfs/dbraw/zinc/42/13/54/359421354.db2.gz RLSLIJNYAFKKCA-SSDOTTSWSA-N 1 0 201.722 3.072 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1ccsc1Cl ZINC000306241529 359420809 /nfs/dbraw/zinc/42/08/09/359420809.db2.gz RLSLIJNYAFKKCA-ZETCQYMHSA-N 1 0 201.722 3.072 10 0 BGAERO C[NH2+][C@@H](c1cc(C)ccc1Cl)C1CC1 ZINC000306244169 359427593 /nfs/dbraw/zinc/42/75/93/359427593.db2.gz PJCNUAQPXWRWKK-GFCCVEGCSA-N 1 0 209.720 3.319 10 0 BGAERO C[NH2+][C@H](c1cc(C)ccc1Cl)C1CC1 ZINC000306244170 359428397 /nfs/dbraw/zinc/42/83/97/359428397.db2.gz PJCNUAQPXWRWKK-LBPRGKRZSA-N 1 0 209.720 3.319 10 0 BGAERO CC[C@]1(C)C[NH2+][C@@H]1c1ccsc1Cl ZINC000306245776 359430487 /nfs/dbraw/zinc/43/04/87/359430487.db2.gz VAZYVBXQXWMHTA-PSASIEDQSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@@H]1c1ccsc1Cl ZINC000306245777 359430916 /nfs/dbraw/zinc/43/09/16/359430916.db2.gz VAZYVBXQXWMHTA-SCZZXKLOSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@]1(C)C[NH2+][C@H]1c1ccsc1Cl ZINC000306245778 359431148 /nfs/dbraw/zinc/43/11/48/359431148.db2.gz VAZYVBXQXWMHTA-WCBMZHEXSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@H]1c1ccsc1Cl ZINC000306245786 352999656 /nfs/dbraw/zinc/99/96/56/352999656.db2.gz VAZYVBXQXWMHTA-WPRPVWTQSA-N 1 0 215.749 3.462 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](c2ccsc2Cl)C1 ZINC000306246975 359439164 /nfs/dbraw/zinc/43/91/64/359439164.db2.gz VULORHKFCWHPMR-APPZFPTMSA-N 1 0 215.749 3.462 10 0 BGAERO C[C@H]1CC[NH2+][C@H](c2ccsc2Cl)C1 ZINC000306246995 359439194 /nfs/dbraw/zinc/43/91/94/359439194.db2.gz VULORHKFCWHPMR-CBAPKCEASA-N 1 0 215.749 3.462 10 0 BGAERO C[C@H]1CC[NH2+][C@@H](c2ccsc2Cl)C1 ZINC000306247014 359438662 /nfs/dbraw/zinc/43/86/62/359438662.db2.gz VULORHKFCWHPMR-IONNQARKSA-N 1 0 215.749 3.462 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](c2ccsc2Cl)C1 ZINC000306247041 359438796 /nfs/dbraw/zinc/43/87/96/359438796.db2.gz VULORHKFCWHPMR-VXNVDRBHSA-N 1 0 215.749 3.462 10 0 BGAERO C[C@@H]1C[C@H](c2ccsc2Cl)[C@@H](C)[NH2+]1 ZINC000306250660 359455628 /nfs/dbraw/zinc/45/56/28/359455628.db2.gz YVZWRAGTELSXFP-BHNWBGBOSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@@H](c2ccsc2Cl)[C@H](C)[NH2+]1 ZINC000306250663 359455422 /nfs/dbraw/zinc/45/54/22/359455422.db2.gz YVZWRAGTELSXFP-BKPPORCPSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@H](c2ccsc2Cl)[C@H](C)[NH2+]1 ZINC000306250666 359455649 /nfs/dbraw/zinc/45/56/49/359455649.db2.gz YVZWRAGTELSXFP-FJXKBIBVSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@@H](c2ccsc2Cl)[C@@H](C)[NH2+]1 ZINC000306250669 359455604 /nfs/dbraw/zinc/45/56/04/359455604.db2.gz YVZWRAGTELSXFP-ZXFLCMHBSA-N 1 0 215.749 3.255 10 0 BGAERO Clc1sccc1[C@@H]1[NH2+]C[C@@H]1C1CC1 ZINC000306254284 359465309 /nfs/dbraw/zinc/46/53/09/359465309.db2.gz LMPVEPKAGXDDBK-BDAKNGLRSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1sccc1[C@H]1[NH2+]C[C@H]1C1CC1 ZINC000306254290 359465613 /nfs/dbraw/zinc/46/56/13/359465613.db2.gz LMPVEPKAGXDDBK-DTWKUNHWSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1sccc1[C@@H]1[NH2+]C[C@H]1C1CC1 ZINC000306254295 359465523 /nfs/dbraw/zinc/46/55/23/359465523.db2.gz LMPVEPKAGXDDBK-IUCAKERBSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1sccc1[C@H]1[NH2+]C[C@@H]1C1CC1 ZINC000306254301 359465233 /nfs/dbraw/zinc/46/52/33/359465233.db2.gz LMPVEPKAGXDDBK-RKDXNWHRSA-N 1 0 213.733 3.072 10 0 BGAERO [NH3+][C@@H]1CC[C@@H]1c1ccc(Cl)cc1Cl ZINC000306255824 359474897 /nfs/dbraw/zinc/47/48/97/359474897.db2.gz PKKRUNOAYAXDSP-PSASIEDQSA-N 1 0 216.111 3.198 10 0 BGAERO [NH3+][C@H]1CC[C@@H]1c1ccc(Cl)cc1Cl ZINC000306255825 359474829 /nfs/dbraw/zinc/47/48/29/359474829.db2.gz PKKRUNOAYAXDSP-SCZZXKLOSA-N 1 0 216.111 3.198 10 0 BGAERO [NH3+][C@@H]1CC[C@H]1c1ccc(Cl)cc1Cl ZINC000306255826 359475057 /nfs/dbraw/zinc/47/50/57/359475057.db2.gz PKKRUNOAYAXDSP-WCBMZHEXSA-N 1 0 216.111 3.198 10 0 BGAERO [NH3+][C@H]1CC[C@H]1c1ccc(Cl)cc1Cl ZINC000306255827 359474583 /nfs/dbraw/zinc/47/45/83/359474583.db2.gz PKKRUNOAYAXDSP-WPRPVWTQSA-N 1 0 216.111 3.198 10 0 BGAERO CC1CCC(C[C@H](F)C(C)(C)[NH3+])CC1 ZINC000306256995 359472860 /nfs/dbraw/zinc/47/28/60/359472860.db2.gz YGQREFHPVHTEFA-ILDUYXDCSA-N 1 0 201.329 3.278 10 0 BGAERO CC1CCC(C[C@@H](F)C(C)(C)[NH3+])CC1 ZINC000306256996 359473124 /nfs/dbraw/zinc/47/31/24/359473124.db2.gz YGQREFHPVHTEFA-VQXHTEKXSA-N 1 0 201.329 3.278 10 0 BGAERO CC(C)C1(C(C)C)[NH2+]CC[C@H](C)S1 ZINC000306261079 359480509 /nfs/dbraw/zinc/48/05/09/359480509.db2.gz VVHMDTABAQRVKN-JTQLQIEISA-N 1 0 201.379 3.110 10 0 BGAERO CC(C)C1(C(C)C)[NH2+]CC[C@@H](C)S1 ZINC000306261080 359480717 /nfs/dbraw/zinc/48/07/17/359480717.db2.gz VVHMDTABAQRVKN-SNVBAGLBSA-N 1 0 201.379 3.110 10 0 BGAERO C[NH2+][C@H]1CCC[C@@H]1c1ccsc1Cl ZINC000306265810 359489216 /nfs/dbraw/zinc/48/92/16/359489216.db2.gz FCXJKTIVIUOQJN-APPZFPTMSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@H]1CCC[C@H]1c1ccsc1Cl ZINC000306265812 359489080 /nfs/dbraw/zinc/48/90/80/359489080.db2.gz FCXJKTIVIUOQJN-CBAPKCEASA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H]1c1ccsc1Cl ZINC000306265814 359489047 /nfs/dbraw/zinc/48/90/47/359489047.db2.gz FCXJKTIVIUOQJN-IONNQARKSA-N 1 0 215.749 3.257 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H]1c1ccsc1Cl ZINC000306265816 359489059 /nfs/dbraw/zinc/48/90/59/359489059.db2.gz FCXJKTIVIUOQJN-VXNVDRBHSA-N 1 0 215.749 3.257 10 0 BGAERO CC[C@]1(C)C[NH2+][C@@H]1c1occc1Br ZINC000306265842 359489308 /nfs/dbraw/zinc/48/93/08/359489308.db2.gz FMEZYEBWWMCNBP-NXEZZACHSA-N 1 0 244.132 3.103 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@H]1c1occc1Br ZINC000306265844 359489287 /nfs/dbraw/zinc/48/92/87/359489287.db2.gz FMEZYEBWWMCNBP-UWVGGRQHSA-N 1 0 244.132 3.103 10 0 BGAERO CC[C@]1(C)C[NH2+][C@H]1c1occc1Br ZINC000306265846 359489114 /nfs/dbraw/zinc/48/91/14/359489114.db2.gz FMEZYEBWWMCNBP-VHSXEESVSA-N 1 0 244.132 3.103 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@@H]1c1occc1Br ZINC000306265848 359489163 /nfs/dbraw/zinc/48/91/63/359489163.db2.gz FMEZYEBWWMCNBP-ZJUUUORDSA-N 1 0 244.132 3.103 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1ccsc1Cl ZINC000306270678 359502981 /nfs/dbraw/zinc/50/29/81/359502981.db2.gz PXCSFPSKBDWFMV-LURJTMIESA-N 1 0 207.701 3.149 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1ccsc1Cl ZINC000306270679 359502922 /nfs/dbraw/zinc/50/29/22/359502922.db2.gz PXCSFPSKBDWFMV-ZCFIWIBFSA-N 1 0 207.701 3.149 10 0 BGAERO [NH3+][C@@H]1CCc2cccc(OCc3ccccc3)c21 ZINC000306278534 359509816 /nfs/dbraw/zinc/50/98/16/359509816.db2.gz WIOBSELQCUFEGD-CQSZACIVSA-N 1 0 239.318 3.212 10 0 BGAERO C/C(=C\c1cscc1Br)[C@@H](C)[NH3+] ZINC000306280956 359512199 /nfs/dbraw/zinc/51/21/99/359512199.db2.gz UYPPUKOBKOLNJU-XUTFHDRNSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C\c1cscc1Br)[C@H](C)[NH3+] ZINC000306280957 353001771 /nfs/dbraw/zinc/00/17/71/353001771.db2.gz UYPPUKOBKOLNJU-ZAXDUSRUSA-N 1 0 246.173 3.261 10 0 BGAERO CC1(NC(=[NH2+])NCc2ccccc2)CCCCC1 ZINC000306286161 359518607 /nfs/dbraw/zinc/51/86/07/359518607.db2.gz KHFSKEGSLOHBSS-UHFFFAOYSA-N 1 0 245.370 3.023 10 0 BGAERO [NH3+]C[C@@H]1C[C@H]1c1cc(Cl)sc1Cl ZINC000306286875 353002067 /nfs/dbraw/zinc/00/20/67/353002067.db2.gz GKMSEKPLOFNFEI-CRCLSJGQSA-N 1 0 222.140 3.117 10 0 BGAERO [NH3+]C[C@H]1C[C@H]1c1cc(Cl)sc1Cl ZINC000306286876 353001806 /nfs/dbraw/zinc/00/18/06/353001806.db2.gz GKMSEKPLOFNFEI-RFZPGFLSSA-N 1 0 222.140 3.117 10 0 BGAERO [NH3+]C[C@H]1C[C@@H]1c1cc(Cl)sc1Cl ZINC000306286877 359519406 /nfs/dbraw/zinc/51/94/06/359519406.db2.gz GKMSEKPLOFNFEI-UHNVWZDZSA-N 1 0 222.140 3.117 10 0 BGAERO [NH3+]C[C@@H]1C[C@@H]1c1cc(Cl)sc1Cl ZINC000306286878 359519445 /nfs/dbraw/zinc/51/94/45/359519445.db2.gz GKMSEKPLOFNFEI-WHFBIAKZSA-N 1 0 222.140 3.117 10 0 BGAERO CC[C@](C)([NH3+])c1c(F)ccc(F)c1Cl ZINC000306294079 359531100 /nfs/dbraw/zinc/53/11/00/359531100.db2.gz XPTDIPVRVMKVKQ-JTQLQIEISA-N 1 0 219.662 3.202 10 0 BGAERO CC[C@@](C)([NH3+])c1c(F)ccc(F)c1Cl ZINC000306294080 359531742 /nfs/dbraw/zinc/53/17/42/359531742.db2.gz XPTDIPVRVMKVKQ-SNVBAGLBSA-N 1 0 219.662 3.202 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1ccc(Cl)s1 ZINC000306307532 398158616 /nfs/dbraw/zinc/15/86/16/398158616.db2.gz VOOAZDFWGXUFNT-SSDOTTSWSA-N 1 0 207.701 3.149 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1ccc(Cl)s1 ZINC000306307534 398158553 /nfs/dbraw/zinc/15/85/53/398158553.db2.gz VOOAZDFWGXUFNT-ZETCQYMHSA-N 1 0 207.701 3.149 10 0 BGAERO C[C@H](C[NH3+])[C@H](F)c1ccc(Cl)cc1F ZINC000306310617 359592123 /nfs/dbraw/zinc/59/21/23/359592123.db2.gz JBGAAWKDOCPNEV-LDWIPMOCSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@H](C[NH3+])[C@@H](F)c1ccc(Cl)cc1F ZINC000306310620 359591976 /nfs/dbraw/zinc/59/19/76/359591976.db2.gz JBGAAWKDOCPNEV-LHLIQPBNSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@@H](C[NH3+])[C@@H](F)c1ccc(Cl)cc1F ZINC000306310623 359591080 /nfs/dbraw/zinc/59/10/80/359591080.db2.gz JBGAAWKDOCPNEV-QUBYGPBYSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@@H](C[NH3+])[C@H](F)c1ccc(Cl)cc1F ZINC000306310627 359590852 /nfs/dbraw/zinc/59/08/52/359590852.db2.gz JBGAAWKDOCPNEV-WKEGUHRASA-N 1 0 219.662 3.085 10 0 BGAERO CC(=[NH2+])NCc1cc(Cl)sc1Cl ZINC000306312726 359594463 /nfs/dbraw/zinc/59/44/63/359594463.db2.gz WHSJKCYQIIFECY-UHFFFAOYSA-N 1 0 223.128 3.142 10 0 BGAERO Clc1cc(C[NH2+]C2CC=CC2)cs1 ZINC000306312820 359594352 /nfs/dbraw/zinc/59/43/52/359594352.db2.gz OAQDECLMBHZYJS-UHFFFAOYSA-N 1 0 213.733 3.210 10 0 BGAERO CC(C)(CF)[NH2+]C1CCCCCCC1 ZINC000306314254 353003301 /nfs/dbraw/zinc/00/33/01/353003301.db2.gz NPMXKMYJGBOTAO-UHFFFAOYSA-N 1 0 201.329 3.437 10 0 BGAERO Clc1ccc(SC2C[NH2+]C2)c(Cl)c1 ZINC000306314957 387968137 /nfs/dbraw/zinc/96/81/37/387968137.db2.gz ZDKVXIJNFJBLML-UHFFFAOYSA-N 1 0 234.151 3.057 10 0 BGAERO CC1=C(c2ccsc2Cl)C[NH2+]CC1 ZINC000306317476 359596821 /nfs/dbraw/zinc/59/68/21/359596821.db2.gz YXXIIPMEOFKXTL-UHFFFAOYSA-N 1 0 213.733 3.168 10 0 BGAERO C[C@H]([C@H]1[NH2+]C(C)(C)CS1)C(C)(C)C ZINC000306321369 359607947 /nfs/dbraw/zinc/60/79/47/359607947.db2.gz IWTKIDKNRKDKMN-BDAKNGLRSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@@H]([C@@H]1[NH2+]C(C)(C)CS1)C(C)(C)C ZINC000306321371 359608740 /nfs/dbraw/zinc/60/87/40/359608740.db2.gz IWTKIDKNRKDKMN-DTWKUNHWSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@@H]([C@H]1[NH2+]C(C)(C)CS1)C(C)(C)C ZINC000306321372 359609384 /nfs/dbraw/zinc/60/93/84/359609384.db2.gz IWTKIDKNRKDKMN-IUCAKERBSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@H]([C@@H]1[NH2+]C(C)(C)CS1)C(C)(C)C ZINC000306321373 359609008 /nfs/dbraw/zinc/60/90/08/359609008.db2.gz IWTKIDKNRKDKMN-RKDXNWHRSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@H]([C@H]1[NH2+][C@H](C)CCS1)C(C)(C)C ZINC000306331769 359633225 /nfs/dbraw/zinc/63/32/25/359633225.db2.gz PTUQLPNBJNCPNK-BBBLOLIVSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@@H]([C@@H]1[NH2+][C@H](C)CCS1)C(C)(C)C ZINC000306331776 359632797 /nfs/dbraw/zinc/63/27/97/359632797.db2.gz PTUQLPNBJNCPNK-KXUCPTDWSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@H]([C@@H]1[NH2+][C@H](C)CCS1)C(C)(C)C ZINC000306331781 359632860 /nfs/dbraw/zinc/63/28/60/359632860.db2.gz PTUQLPNBJNCPNK-OPRDCNLKSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@@H]1Sc2c(cc(Cl)cc2Cl)[C@H]1[NH3+] ZINC000306331786 359633164 /nfs/dbraw/zinc/63/31/64/359633164.db2.gz COZBHCHDIKFCBX-NVNXEXLPSA-N 1 0 234.151 3.487 10 0 BGAERO C[C@@H]([C@H]1[NH2+][C@H](C)CCS1)C(C)(C)C ZINC000306331787 359633056 /nfs/dbraw/zinc/63/30/56/359633056.db2.gz PTUQLPNBJNCPNK-UTLUCORTSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@@H]1Sc2c(cc(Cl)cc2Cl)[C@@H]1[NH3+] ZINC000306331795 359633290 /nfs/dbraw/zinc/63/32/90/359633290.db2.gz COZBHCHDIKFCBX-RNHFCUEFSA-N 1 0 234.151 3.487 10 0 BGAERO C[C@H]1Sc2c(cc(Cl)cc2Cl)[C@@H]1[NH3+] ZINC000306331804 359633389 /nfs/dbraw/zinc/63/33/89/359633389.db2.gz COZBHCHDIKFCBX-SPGJFGJESA-N 1 0 234.151 3.487 10 0 BGAERO C[C@H]1Sc2c(cc(Cl)cc2Cl)[C@H]1[NH3+] ZINC000306331814 359633401 /nfs/dbraw/zinc/63/34/01/359633401.db2.gz COZBHCHDIKFCBX-VHWMUFPASA-N 1 0 234.151 3.487 10 0 BGAERO Brc1cscc1C[NH2+]C1CCC1 ZINC000306338124 166107578 /nfs/dbraw/zinc/10/75/78/166107578.db2.gz IQHRVLLKFKDINW-UHFFFAOYSA-N 1 0 246.173 3.153 10 0 BGAERO C[C@@H]([NH2+]C1CSC1)C1CCCCCC1 ZINC000306343530 359661787 /nfs/dbraw/zinc/66/17/87/359661787.db2.gz MSFJGVJGJPOQOZ-SNVBAGLBSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@H]1CC([NH2+]C(C)(C)CF)C[C@H](C)C1 ZINC000306345366 177065626 /nfs/dbraw/zinc/06/56/26/177065626.db2.gz PICQUVCKMMGFRK-NXEZZACHSA-N 1 0 201.329 3.149 10 0 BGAERO C[C@H]1C[C@H]([NH2+]C(C)(C)CF)C[C@@H](C)C1 ZINC000306345367 177317955 /nfs/dbraw/zinc/31/79/55/177317955.db2.gz PICQUVCKMMGFRK-URLYPYJESA-N 1 0 201.329 3.149 10 0 BGAERO C[C@@H]1CC([NH2+]C(C)(C)CF)C[C@@H](C)C1 ZINC000306345368 176055477 /nfs/dbraw/zinc/05/54/77/176055477.db2.gz PICQUVCKMMGFRK-UWVGGRQHSA-N 1 0 201.329 3.149 10 0 BGAERO Cc1ccc(Cl)c([C@@H]2CC[C@@H]2C[NH3+])c1 ZINC000306348925 359668187 /nfs/dbraw/zinc/66/81/87/359668187.db2.gz TZYNLVOJZYDQHP-NXEZZACHSA-N 1 0 209.720 3.101 10 0 BGAERO Cc1ccc(Cl)c([C@H]2CC[C@H]2C[NH3+])c1 ZINC000306348927 359668911 /nfs/dbraw/zinc/66/89/11/359668911.db2.gz TZYNLVOJZYDQHP-UWVGGRQHSA-N 1 0 209.720 3.101 10 0 BGAERO Cc1ccc(Cl)c([C@@H]2CC[C@H]2C[NH3+])c1 ZINC000306348928 359668327 /nfs/dbraw/zinc/66/83/27/359668327.db2.gz TZYNLVOJZYDQHP-VHSXEESVSA-N 1 0 209.720 3.101 10 0 BGAERO Cc1ccc(Cl)c([C@H]2CC[C@@H]2C[NH3+])c1 ZINC000306348929 359668300 /nfs/dbraw/zinc/66/83/00/359668300.db2.gz TZYNLVOJZYDQHP-ZJUUUORDSA-N 1 0 209.720 3.101 10 0 BGAERO C[C@@H]1CCC[C@@](C[NH3+])(CC(F)(F)F)C1 ZINC000306351030 359679398 /nfs/dbraw/zinc/67/93/98/359679398.db2.gz WTVASRUZFUKCFA-BDAKNGLRSA-N 1 0 209.255 3.094 10 0 BGAERO C[C@H]1CCC[C@](C[NH3+])(CC(F)(F)F)C1 ZINC000306351031 359679601 /nfs/dbraw/zinc/67/96/01/359679601.db2.gz WTVASRUZFUKCFA-DTWKUNHWSA-N 1 0 209.255 3.094 10 0 BGAERO C[C@H]1CCC[C@@](C[NH3+])(CC(F)(F)F)C1 ZINC000306351032 359679557 /nfs/dbraw/zinc/67/95/57/359679557.db2.gz WTVASRUZFUKCFA-IUCAKERBSA-N 1 0 209.255 3.094 10 0 BGAERO C[C@@H]1CCC[C@](C[NH3+])(CC(F)(F)F)C1 ZINC000306351033 359679867 /nfs/dbraw/zinc/67/98/67/359679867.db2.gz WTVASRUZFUKCFA-RKDXNWHRSA-N 1 0 209.255 3.094 10 0 BGAERO CCC[C@@]1(C2CCC2)[NH2+][C@@H](C)CCS1 ZINC000306351239 359679549 /nfs/dbraw/zinc/67/95/49/359679549.db2.gz XBXVTCGJWJBHEB-CMPLNLGQSA-N 1 0 213.390 3.398 10 0 BGAERO CCC[C@]1(C2CCC2)[NH2+][C@@H](C)CCS1 ZINC000306351241 359679715 /nfs/dbraw/zinc/67/97/15/359679715.db2.gz XBXVTCGJWJBHEB-JQWIXIFHSA-N 1 0 213.390 3.398 10 0 BGAERO CCC[C@]1(C2CCC2)[NH2+][C@H](C)CCS1 ZINC000306351246 359679816 /nfs/dbraw/zinc/67/98/16/359679816.db2.gz XBXVTCGJWJBHEB-PWSUYJOCSA-N 1 0 213.390 3.398 10 0 BGAERO CCC[C@@]1(C2CCC2)[NH2+][C@H](C)CCS1 ZINC000306351253 359679851 /nfs/dbraw/zinc/67/98/51/359679851.db2.gz XBXVTCGJWJBHEB-ZYHUDNBSSA-N 1 0 213.390 3.398 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1ccc(Cl)cc1F ZINC000306351639 359677769 /nfs/dbraw/zinc/67/77/69/359677769.db2.gz YGFKHLWXYBJDQX-SECBINFHSA-N 1 0 219.662 3.227 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1ccc(Cl)cc1F ZINC000306351640 359677967 /nfs/dbraw/zinc/67/79/67/359677967.db2.gz YGFKHLWXYBJDQX-VIFPVBQESA-N 1 0 219.662 3.227 10 0 BGAERO [NH3+]C[C@H]1CCC[C@H]1c1ccsc1Cl ZINC000306354936 359683450 /nfs/dbraw/zinc/68/34/50/359683450.db2.gz HVBMBNRQOPPTPC-HTQZYQBOSA-N 1 0 215.749 3.244 10 0 BGAERO [NH3+]C[C@@H]1CCC[C@H]1c1ccsc1Cl ZINC000306354937 359683398 /nfs/dbraw/zinc/68/33/98/359683398.db2.gz HVBMBNRQOPPTPC-JGVFFNPUSA-N 1 0 215.749 3.244 10 0 BGAERO [NH3+]C[C@H]1CCC[C@@H]1c1ccsc1Cl ZINC000306354938 359683290 /nfs/dbraw/zinc/68/32/90/359683290.db2.gz HVBMBNRQOPPTPC-SFYZADRCSA-N 1 0 215.749 3.244 10 0 BGAERO [NH3+]C[C@@H]1CCC[C@@H]1c1ccsc1Cl ZINC000306354939 359683104 /nfs/dbraw/zinc/68/31/04/359683104.db2.gz HVBMBNRQOPPTPC-YUMQZZPRSA-N 1 0 215.749 3.244 10 0 BGAERO Cc1cc([C@@H]([NH3+])C(C)(C)F)c(C)s1 ZINC000306362539 359695518 /nfs/dbraw/zinc/69/55/18/359695518.db2.gz TYTSHNQYRPWDHW-SECBINFHSA-N 1 0 201.310 3.113 10 0 BGAERO Cc1cc([C@H]([NH3+])C(C)(C)F)c(C)s1 ZINC000306362540 359695529 /nfs/dbraw/zinc/69/55/29/359695529.db2.gz TYTSHNQYRPWDHW-VIFPVBQESA-N 1 0 201.310 3.113 10 0 BGAERO Clc1ccsc1/C=C1/CCC[NH2+]C1 ZINC000306375827 359711920 /nfs/dbraw/zinc/71/19/20/359711920.db2.gz YFMBSVMZXUZGBV-VURMDHGXSA-N 1 0 213.733 3.168 10 0 BGAERO [NH3+][C@@H](c1ccsc1Cl)C1CCC1 ZINC000306377200 359715637 /nfs/dbraw/zinc/71/56/37/359715637.db2.gz NQNGKOLTIINCML-MRVPVSSYSA-N 1 0 201.722 3.201 10 0 BGAERO [NH3+][C@H](c1ccsc1Cl)C1CCC1 ZINC000306377201 359715835 /nfs/dbraw/zinc/71/58/35/359715835.db2.gz NQNGKOLTIINCML-QMMMGPOBSA-N 1 0 201.722 3.201 10 0 BGAERO C/C(=C\c1sccc1Cl)[C@@H](C)[NH3+] ZINC000306382057 359733162 /nfs/dbraw/zinc/73/31/62/359733162.db2.gz WWUQJXSLTOWKIE-WEWAHIQMSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C\c1sccc1Cl)[C@H](C)[NH3+] ZINC000306382059 359733074 /nfs/dbraw/zinc/73/30/74/359733074.db2.gz WWUQJXSLTOWKIE-XPPMVYLVSA-N 1 0 201.722 3.152 10 0 BGAERO C[C@@H]1CC(C)(C)[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000306386017 359742956 /nfs/dbraw/zinc/74/29/56/359742956.db2.gz BSJBUHCTGZORET-HTQZYQBOSA-N 1 0 222.159 3.053 10 0 BGAERO C[C@H]1CC(C)(C)[N@@H+]1C[C@H]1CC1(Cl)Cl ZINC000306386018 359742720 /nfs/dbraw/zinc/74/27/20/359742720.db2.gz BSJBUHCTGZORET-JGVFFNPUSA-N 1 0 222.159 3.053 10 0 BGAERO C[C@@H]1CC(C)(C)[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000306386019 359742914 /nfs/dbraw/zinc/74/29/14/359742914.db2.gz BSJBUHCTGZORET-SFYZADRCSA-N 1 0 222.159 3.053 10 0 BGAERO C[C@H]1CC(C)(C)[N@@H+]1C[C@@H]1CC1(Cl)Cl ZINC000306386020 359742596 /nfs/dbraw/zinc/74/25/96/359742596.db2.gz BSJBUHCTGZORET-YUMQZZPRSA-N 1 0 222.159 3.053 10 0 BGAERO C[C@@]1(c2ccsc2Cl)CC[C@@H]([NH3+])C1 ZINC000306389638 359746056 /nfs/dbraw/zinc/74/60/56/359746056.db2.gz RWMKKFKCMNVPHU-GMSGAONNSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@@]1(c2ccsc2Cl)CC[C@H]([NH3+])C1 ZINC000306389639 359745848 /nfs/dbraw/zinc/74/58/48/359745848.db2.gz RWMKKFKCMNVPHU-OIBJUYFYSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@]1(c2ccsc2Cl)CC[C@@H]([NH3+])C1 ZINC000306389640 359745356 /nfs/dbraw/zinc/74/53/56/359745356.db2.gz RWMKKFKCMNVPHU-XCBNKYQSSA-N 1 0 215.749 3.170 10 0 BGAERO C[C@]1(c2ccsc2Cl)CC[C@H]([NH3+])C1 ZINC000306389641 359745528 /nfs/dbraw/zinc/74/55/28/359745528.db2.gz RWMKKFKCMNVPHU-XVKPBYJWSA-N 1 0 215.749 3.170 10 0 BGAERO [NH3+][C@@H](c1ccsc1Cl)[C@@H]1CCSC1 ZINC000306390135 359747190 /nfs/dbraw/zinc/74/71/90/359747190.db2.gz UOMCIXBIEDPYSK-HTRCEHHLSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@@H](c1ccsc1Cl)[C@H]1CCSC1 ZINC000306390136 359747135 /nfs/dbraw/zinc/74/71/35/359747135.db2.gz UOMCIXBIEDPYSK-POYBYMJQSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@H](c1ccsc1Cl)[C@@H]1CCSC1 ZINC000306390137 359747211 /nfs/dbraw/zinc/74/72/11/359747211.db2.gz UOMCIXBIEDPYSK-SVRRBLITSA-N 1 0 233.789 3.154 10 0 BGAERO [NH3+][C@H](c1ccsc1Cl)[C@H]1CCSC1 ZINC000306390138 359746902 /nfs/dbraw/zinc/74/69/02/359746902.db2.gz UOMCIXBIEDPYSK-XPUUQOCRSA-N 1 0 233.789 3.154 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1ccsc1Cl ZINC000306407947 359794104 /nfs/dbraw/zinc/79/41/04/359794104.db2.gz ZLGQSZNEZSIFMV-DTLFHODZSA-N 1 0 201.722 3.057 10 0 BGAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1ccsc1Cl ZINC000306407948 359794192 /nfs/dbraw/zinc/79/41/92/359794192.db2.gz ZLGQSZNEZSIFMV-LPBLVHEISA-N 1 0 201.722 3.057 10 0 BGAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1ccsc1Cl ZINC000306407949 359794064 /nfs/dbraw/zinc/79/40/64/359794064.db2.gz ZLGQSZNEZSIFMV-MHSYXAOVSA-N 1 0 201.722 3.057 10 0 BGAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1ccsc1Cl ZINC000306407950 353010374 /nfs/dbraw/zinc/01/03/74/353010374.db2.gz ZLGQSZNEZSIFMV-NJUXHZRNSA-N 1 0 201.722 3.057 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(Cl)c(C)c1F ZINC000306412246 359821509 /nfs/dbraw/zinc/82/15/09/359821509.db2.gz ZCPURMYPLPWLFL-SECBINFHSA-N 1 0 201.672 3.197 10 0 BGAERO CC[C@H]([NH3+])c1ccc(Cl)c(C)c1F ZINC000306412247 359821568 /nfs/dbraw/zinc/82/15/68/359821568.db2.gz ZCPURMYPLPWLFL-VIFPVBQESA-N 1 0 201.672 3.197 10 0 BGAERO CC1([C@H]([NH3+])c2ccsc2Cl)CC1 ZINC000306413646 359823983 /nfs/dbraw/zinc/82/39/83/359823983.db2.gz SYTLMBBRRSSRQV-SSDOTTSWSA-N 1 0 201.722 3.201 10 0 BGAERO CC1([C@@H]([NH3+])c2ccsc2Cl)CC1 ZINC000306413647 359824047 /nfs/dbraw/zinc/82/40/47/359824047.db2.gz SYTLMBBRRSSRQV-ZETCQYMHSA-N 1 0 201.722 3.201 10 0 BGAERO [NH3+][C@@H]1CC[C@](F)(c2ccsc2Cl)C1 ZINC000306415355 359828876 /nfs/dbraw/zinc/82/88/76/359828876.db2.gz VGAPCLLAPNRPRI-HZGVNTEJSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@H]1CC[C@](F)(c2ccsc2Cl)C1 ZINC000306415356 359828827 /nfs/dbraw/zinc/82/88/27/359828827.db2.gz VGAPCLLAPNRPRI-IMTBSYHQSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@@H]1CC[C@@](F)(c2ccsc2Cl)C1 ZINC000306415358 359828809 /nfs/dbraw/zinc/82/88/09/359828809.db2.gz VGAPCLLAPNRPRI-MUWHJKNJSA-N 1 0 219.712 3.078 10 0 BGAERO [NH3+][C@H]1CC[C@@](F)(c2ccsc2Cl)C1 ZINC000306415360 359828783 /nfs/dbraw/zinc/82/87/83/359828783.db2.gz VGAPCLLAPNRPRI-RCOVLWMOSA-N 1 0 219.712 3.078 10 0 BGAERO C[C@H](C[NH3+])[C@H](F)c1cc(F)ccc1Cl ZINC000306420642 359866065 /nfs/dbraw/zinc/86/60/65/359866065.db2.gz GKIYOLJZVZDYJW-LDWIPMOCSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@H](C[NH3+])[C@@H](F)c1cc(F)ccc1Cl ZINC000306420643 359865823 /nfs/dbraw/zinc/86/58/23/359865823.db2.gz GKIYOLJZVZDYJW-LHLIQPBNSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@@H](C[NH3+])[C@@H](F)c1cc(F)ccc1Cl ZINC000306420644 359865927 /nfs/dbraw/zinc/86/59/27/359865927.db2.gz GKIYOLJZVZDYJW-QUBYGPBYSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@@H](C[NH3+])[C@H](F)c1cc(F)ccc1Cl ZINC000306420881 359865669 /nfs/dbraw/zinc/86/56/69/359865669.db2.gz GKIYOLJZVZDYJW-WKEGUHRASA-N 1 0 219.662 3.085 10 0 BGAERO [NH3+][C@@H](c1csc(Cl)c1)C1CCC1 ZINC000306421355 359866461 /nfs/dbraw/zinc/86/64/61/359866461.db2.gz ZKDYFEJHEDBFJP-SECBINFHSA-N 1 0 201.722 3.201 10 0 BGAERO [NH3+][C@H](c1csc(Cl)c1)C1CCC1 ZINC000306421356 359866779 /nfs/dbraw/zinc/86/67/79/359866779.db2.gz ZKDYFEJHEDBFJP-VIFPVBQESA-N 1 0 201.722 3.201 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1cc(Cl)cs1 ZINC000306423598 359864337 /nfs/dbraw/zinc/86/43/37/359864337.db2.gz GWGMZPIQPLGYGX-MRVPVSSYSA-N 1 0 201.722 3.072 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1cc(Cl)cs1 ZINC000306423599 359864728 /nfs/dbraw/zinc/86/47/28/359864728.db2.gz GWGMZPIQPLGYGX-QMMMGPOBSA-N 1 0 201.722 3.072 10 0 BGAERO CSC(C)(C)[C@H]([NH3+])c1ccc(C)cc1 ZINC000306427830 359879439 /nfs/dbraw/zinc/87/94/39/359879439.db2.gz LRVPFELMQZTPKW-LLVKDONJSA-N 1 0 209.358 3.136 10 0 BGAERO CSC(C)(C)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000306427831 359879068 /nfs/dbraw/zinc/87/90/68/359879068.db2.gz LRVPFELMQZTPKW-NSHDSACASA-N 1 0 209.358 3.136 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1coc(Br)c1 ZINC000306440181 359944813 /nfs/dbraw/zinc/94/48/13/359944813.db2.gz KGHOGJRKJZSCBM-MRVPVSSYSA-N 1 0 230.105 3.008 10 0 BGAERO Clc1ccc([C@@H]2C=CC[NH2+]2)c(Cl)c1 ZINC000306441310 360007543 /nfs/dbraw/zinc/00/75/43/360007543.db2.gz OKVGGJZJVWCTGF-JTQLQIEISA-N 1 0 214.095 3.194 10 0 BGAERO Clc1ccc([C@H]2C=CC[NH2+]2)c(Cl)c1 ZINC000306441311 360007564 /nfs/dbraw/zinc/00/75/64/360007564.db2.gz OKVGGJZJVWCTGF-SNVBAGLBSA-N 1 0 214.095 3.194 10 0 BGAERO C[NH2+]C1(c2ccc(Cl)c(Cl)c2)CC1 ZINC000306445250 353015775 /nfs/dbraw/zinc/01/57/75/353015775.db2.gz QEVCLXZMTRGPJZ-UHFFFAOYSA-N 1 0 216.111 3.202 10 0 BGAERO C[C@@]1(Cc2sccc2Cl)CCC[NH2+]1 ZINC000306454456 360041720 /nfs/dbraw/zinc/04/17/20/360041720.db2.gz LCSYUFRHYVCZIO-JTQLQIEISA-N 1 0 215.749 3.086 10 0 BGAERO C[C@]1(Cc2sccc2Cl)CCC[NH2+]1 ZINC000306454458 360041746 /nfs/dbraw/zinc/04/17/46/360041746.db2.gz LCSYUFRHYVCZIO-SNVBAGLBSA-N 1 0 215.749 3.086 10 0 BGAERO Cc1ccsc1[C@H](F)CC(C)(C)[NH3+] ZINC000306456099 360047697 /nfs/dbraw/zinc/04/76/97/360047697.db2.gz QRZJCRPBUFHDMF-MRVPVSSYSA-N 1 0 201.310 3.195 10 0 BGAERO Cc1ccsc1[C@@H](F)CC(C)(C)[NH3+] ZINC000306456100 360047066 /nfs/dbraw/zinc/04/70/66/360047066.db2.gz QRZJCRPBUFHDMF-QMMMGPOBSA-N 1 0 201.310 3.195 10 0 BGAERO Cc1cc([C@H](F)CC(C)(C)[NH3+])cs1 ZINC000306457475 360047403 /nfs/dbraw/zinc/04/74/03/360047403.db2.gz ZWPULOBFUGVUEP-SECBINFHSA-N 1 0 201.310 3.195 10 0 BGAERO Cc1cc([C@@H](F)CC(C)(C)[NH3+])cs1 ZINC000306457476 360047180 /nfs/dbraw/zinc/04/71/80/360047180.db2.gz ZWPULOBFUGVUEP-VIFPVBQESA-N 1 0 201.310 3.195 10 0 BGAERO C[C@@]1(Cc2csc(Cl)c2)CCC[NH2+]1 ZINC000306462232 360073215 /nfs/dbraw/zinc/07/32/15/360073215.db2.gz HCTDWEFAQKISCO-JTQLQIEISA-N 1 0 215.749 3.086 10 0 BGAERO C[C@]1(Cc2csc(Cl)c2)CCC[NH2+]1 ZINC000306462234 360073444 /nfs/dbraw/zinc/07/34/44/360073444.db2.gz HCTDWEFAQKISCO-SNVBAGLBSA-N 1 0 215.749 3.086 10 0 BGAERO [NH3+][C@@H](Cc1csc(Cl)c1)C1CCCC1 ZINC000306468540 360082938 /nfs/dbraw/zinc/08/29/38/360082938.db2.gz NVUAVVPYGSYAMU-JTQLQIEISA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@H](Cc1csc(Cl)c1)C1CCCC1 ZINC000306468541 360082933 /nfs/dbraw/zinc/08/29/33/360082933.db2.gz NVUAVVPYGSYAMU-SNVBAGLBSA-N 1 0 229.776 3.462 10 0 BGAERO c1ccc(CNC2=[NH+]C[C@@H](C3CCC3)S2)cc1 ZINC000306477606 360124777 /nfs/dbraw/zinc/12/47/77/360124777.db2.gz AFINZEDYNMDULN-ZDUSSCGKSA-N 1 0 246.379 3.048 10 0 BGAERO C[NH2+][C@H](C)c1ccc(Cl)c(C)c1F ZINC000306482561 360149509 /nfs/dbraw/zinc/14/95/09/360149509.db2.gz OIQWJCKLDKVQRT-SSDOTTSWSA-N 1 0 201.672 3.068 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(Cl)c(C)c1F ZINC000306482562 360150361 /nfs/dbraw/zinc/15/03/61/360150361.db2.gz OIQWJCKLDKVQRT-ZETCQYMHSA-N 1 0 201.672 3.068 10 0 BGAERO Cc1cc(CSC(C)(C)C)cc(N)[nH+]1 ZINC000306485861 398203890 /nfs/dbraw/zinc/20/38/90/398203890.db2.gz NWGBZSIKLCDKRX-UHFFFAOYSA-N 1 0 210.346 3.004 10 0 BGAERO CCC[C@@]1(C2CCC2)[NH2+]CC[C@H](C)S1 ZINC000306489470 360178891 /nfs/dbraw/zinc/17/88/91/360178891.db2.gz LPSCOINBCNBZCG-CMPLNLGQSA-N 1 0 213.390 3.398 10 0 BGAERO CCC[C@]1(C2CCC2)[NH2+]CC[C@H](C)S1 ZINC000306489472 360178648 /nfs/dbraw/zinc/17/86/48/360178648.db2.gz LPSCOINBCNBZCG-JQWIXIFHSA-N 1 0 213.390 3.398 10 0 BGAERO CCC[C@]1(C2CCC2)[NH2+]CC[C@@H](C)S1 ZINC000306489473 360178749 /nfs/dbraw/zinc/17/87/49/360178749.db2.gz LPSCOINBCNBZCG-PWSUYJOCSA-N 1 0 213.390 3.398 10 0 BGAERO CCC[C@@]1(C2CCC2)[NH2+]CC[C@@H](C)S1 ZINC000306489474 360178882 /nfs/dbraw/zinc/17/88/82/360178882.db2.gz LPSCOINBCNBZCG-ZYHUDNBSSA-N 1 0 213.390 3.398 10 0 BGAERO CC[C@]1(C)C[NH2+][C@@H]1c1ccc(Cl)s1 ZINC000306490900 372026000 /nfs/dbraw/zinc/02/60/00/372026000.db2.gz ZOCXZVVWPGSRHM-NXEZZACHSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@H]1c1ccc(Cl)s1 ZINC000306490902 372026238 /nfs/dbraw/zinc/02/62/38/372026238.db2.gz ZOCXZVVWPGSRHM-UWVGGRQHSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@]1(C)C[NH2+][C@H]1c1ccc(Cl)s1 ZINC000306490904 360206189 /nfs/dbraw/zinc/20/61/89/360206189.db2.gz ZOCXZVVWPGSRHM-VHSXEESVSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@@H]1c1ccc(Cl)s1 ZINC000306490906 353019884 /nfs/dbraw/zinc/01/98/84/353019884.db2.gz ZOCXZVVWPGSRHM-ZJUUUORDSA-N 1 0 215.749 3.462 10 0 BGAERO CCC[C@@]1(C2CCC2)[NH2+]C[C@H](C)CS1 ZINC000306491667 360209100 /nfs/dbraw/zinc/20/91/00/360209100.db2.gz OSDGPXDSBUBNIP-CMPLNLGQSA-N 1 0 213.390 3.255 10 0 BGAERO CCC[C@]1(C2CCC2)[NH2+]C[C@H](C)CS1 ZINC000306491668 360209208 /nfs/dbraw/zinc/20/92/08/360209208.db2.gz OSDGPXDSBUBNIP-JQWIXIFHSA-N 1 0 213.390 3.255 10 0 BGAERO CCC[C@]1(C2CCC2)[NH2+]C[C@@H](C)CS1 ZINC000306491669 360210187 /nfs/dbraw/zinc/21/01/87/360210187.db2.gz OSDGPXDSBUBNIP-PWSUYJOCSA-N 1 0 213.390 3.255 10 0 BGAERO CCC[C@@]1(C2CCC2)[NH2+]C[C@@H](C)CS1 ZINC000306491670 360210180 /nfs/dbraw/zinc/21/01/80/360210180.db2.gz OSDGPXDSBUBNIP-ZYHUDNBSSA-N 1 0 213.390 3.255 10 0 BGAERO C[C@H]1C[C@H]1c1csc(Br)c1C[NH3+] ZINC000306493486 360212390 /nfs/dbraw/zinc/21/23/90/360212390.db2.gz ZFBLLQBEWLMYEZ-NTSWFWBYSA-N 1 0 246.173 3.093 10 0 BGAERO C[C@@H]1C[C@H]1c1csc(Br)c1C[NH3+] ZINC000306493489 360212573 /nfs/dbraw/zinc/21/25/73/360212573.db2.gz ZFBLLQBEWLMYEZ-PHDIDXHHSA-N 1 0 246.173 3.093 10 0 BGAERO C[C@@H]1C[C@@H]1c1csc(Br)c1C[NH3+] ZINC000306493493 360212133 /nfs/dbraw/zinc/21/21/33/360212133.db2.gz ZFBLLQBEWLMYEZ-RITPCOANSA-N 1 0 246.173 3.093 10 0 BGAERO C[C@H]1C[C@@H]1c1csc(Br)c1C[NH3+] ZINC000306493496 360212229 /nfs/dbraw/zinc/21/22/29/360212229.db2.gz ZFBLLQBEWLMYEZ-WDSKDSINSA-N 1 0 246.173 3.093 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+]C(C)(C)CF)C[C@H]1C ZINC000306499458 176212287 /nfs/dbraw/zinc/21/22/87/176212287.db2.gz VWYOOEGXILTGJE-GMTAPVOTSA-N 1 0 201.329 3.149 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+]C(C)(C)CF)C[C@H]1C ZINC000306499459 176233183 /nfs/dbraw/zinc/23/31/83/176233183.db2.gz VWYOOEGXILTGJE-MXWKQRLJSA-N 1 0 201.329 3.149 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+]C(C)(C)CF)C[C@@H]1C ZINC000306499460 177368561 /nfs/dbraw/zinc/36/85/61/177368561.db2.gz VWYOOEGXILTGJE-OUAUKWLOSA-N 1 0 201.329 3.149 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+]C(C)(C)CF)C[C@@H]1C ZINC000306499461 177331462 /nfs/dbraw/zinc/33/14/62/177331462.db2.gz VWYOOEGXILTGJE-VWYCJHECSA-N 1 0 201.329 3.149 10 0 BGAERO CC(=[NH2+])Nc1cc(C)c(F)cc1Cl ZINC000306504776 360304983 /nfs/dbraw/zinc/30/49/83/360304983.db2.gz DPQDIZDFPXUEJG-UHFFFAOYSA-N 1 0 200.644 3.197 10 0 BGAERO [NH3+]C1(CC2CCCCC2)CCSCC1 ZINC000306515758 360342375 /nfs/dbraw/zinc/34/23/75/360342375.db2.gz WVAMDLASQGIGRA-UHFFFAOYSA-N 1 0 213.390 3.181 10 0 BGAERO CC(C)(C)C[N@@H+]1CCC=C(Br)C1 ZINC000306520430 360344464 /nfs/dbraw/zinc/34/44/64/360344464.db2.gz DQMFRWHLHZCXHX-UHFFFAOYSA-N 1 0 232.165 3.017 10 0 BGAERO CC(C)c1cnc(C(C)(C)N(C)C)s1 ZINC000306521117 360358168 /nfs/dbraw/zinc/35/81/68/360358168.db2.gz MHAOUXPZOYCZJO-UHFFFAOYSA-N 1 0 212.362 3.063 10 0 BGAERO CC[N@H+](C)[C@H](C)c1ccc(Cl)s1 ZINC000306521542 360359904 /nfs/dbraw/zinc/35/99/04/360359904.db2.gz GFPDHCIHJODDES-SSDOTTSWSA-N 1 0 203.738 3.414 10 0 BGAERO CC[N@H+](C)[C@@H](C)c1ccc(Cl)s1 ZINC000306521544 360359575 /nfs/dbraw/zinc/35/95/75/360359575.db2.gz GFPDHCIHJODDES-ZETCQYMHSA-N 1 0 203.738 3.414 10 0 BGAERO [NH3+]Cc1coc(-c2ccc(Cl)s2)c1 ZINC000306523902 360361469 /nfs/dbraw/zinc/36/14/69/360361469.db2.gz VVEPRELRFDLHLP-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO Cc1sc(Cl)c(C[NH3+])c1C(C)(C)C ZINC000306524633 360369656 /nfs/dbraw/zinc/36/96/56/360369656.db2.gz ZIMFPGAYNMDMSX-UHFFFAOYSA-N 1 0 217.765 3.466 10 0 BGAERO CC(C)(F)[C@H]([NH3+])c1ccc(Cl)s1 ZINC000306529195 360379363 /nfs/dbraw/zinc/37/93/63/360379363.db2.gz IATZZQAMUJLHRV-SSDOTTSWSA-N 1 0 207.701 3.149 10 0 BGAERO CC(C)(F)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000306529196 360379281 /nfs/dbraw/zinc/37/92/81/360379281.db2.gz IATZZQAMUJLHRV-ZETCQYMHSA-N 1 0 207.701 3.149 10 0 BGAERO CC1(C[NH2+][C@H]2CCc3ccsc32)CC1 ZINC000306531952 360391049 /nfs/dbraw/zinc/39/10/49/360391049.db2.gz BCGYFDOVMIRSDM-JTQLQIEISA-N 1 0 207.342 3.125 10 0 BGAERO CC1(C[NH2+][C@@H]2CCc3ccsc32)CC1 ZINC000306531954 360391278 /nfs/dbraw/zinc/39/12/78/360391278.db2.gz BCGYFDOVMIRSDM-SNVBAGLBSA-N 1 0 207.342 3.125 10 0 BGAERO C[C@H]1C[NH2+][C@@H](CC2CCCCCC2)S1 ZINC000306532177 360391194 /nfs/dbraw/zinc/39/11/94/360391194.db2.gz BIROHWMHMQZIMT-CMPLNLGQSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@H]1C[NH2+][C@H](CC2CCCCCC2)S1 ZINC000306532179 360390979 /nfs/dbraw/zinc/39/09/79/360390979.db2.gz BIROHWMHMQZIMT-JQWIXIFHSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@@H]1C[NH2+][C@H](CC2CCCCCC2)S1 ZINC000306532181 360391239 /nfs/dbraw/zinc/39/12/39/360391239.db2.gz BIROHWMHMQZIMT-PWSUYJOCSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](CC2CCCCCC2)S1 ZINC000306532183 360391140 /nfs/dbraw/zinc/39/11/40/360391140.db2.gz BIROHWMHMQZIMT-ZYHUDNBSSA-N 1 0 213.390 3.398 10 0 BGAERO [NH3+]Cc1c(F)cccc1-c1ccsc1 ZINC000306534521 360397125 /nfs/dbraw/zinc/39/71/25/360397125.db2.gz FARLMIUCSCIAOF-UHFFFAOYSA-N 1 0 207.273 3.013 10 0 BGAERO C[C@](F)(c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000306537390 360403452 /nfs/dbraw/zinc/40/34/52/360403452.db2.gz ILOFVLGMDGSHRQ-GXSJLCMTSA-N 1 0 213.321 3.075 10 0 BGAERO C[C@@](F)(c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000306537391 360403418 /nfs/dbraw/zinc/40/34/18/360403418.db2.gz ILOFVLGMDGSHRQ-KOLCDFICSA-N 1 0 213.321 3.075 10 0 BGAERO C[C@](F)(c1cccs1)[C@H]1CCCC[NH2+]1 ZINC000306537392 360402981 /nfs/dbraw/zinc/40/29/81/360402981.db2.gz ILOFVLGMDGSHRQ-MWLCHTKSSA-N 1 0 213.321 3.075 10 0 BGAERO C[C@@](F)(c1cccs1)[C@@H]1CCCC[NH2+]1 ZINC000306537393 360403611 /nfs/dbraw/zinc/40/36/11/360403611.db2.gz ILOFVLGMDGSHRQ-ONGXEEELSA-N 1 0 213.321 3.075 10 0 BGAERO CC[C@H](C)[C@@H](C)[C@@]1(F)CCC[NH2+]CC1 ZINC000306537952 360403113 /nfs/dbraw/zinc/40/31/13/360403113.db2.gz LSORANAKIWGIEG-QJPTWQEYSA-N 1 0 201.329 3.150 10 0 BGAERO CC[C@H](C)[C@H](C)[C@@]1(F)CCC[NH2+]CC1 ZINC000306537953 360403021 /nfs/dbraw/zinc/40/30/21/360403021.db2.gz LSORANAKIWGIEG-SDDRHHMPSA-N 1 0 201.329 3.150 10 0 BGAERO CC[C@H](C)[C@H](C)[C@]1(F)CCC[NH2+]CC1 ZINC000306537954 360403568 /nfs/dbraw/zinc/40/35/68/360403568.db2.gz LSORANAKIWGIEG-SRVKXCTJSA-N 1 0 201.329 3.150 10 0 BGAERO CC[C@H](C)[C@@H](C)[C@]1(F)CCC[NH2+]CC1 ZINC000306537955 360403220 /nfs/dbraw/zinc/40/32/20/360403220.db2.gz LSORANAKIWGIEG-TUAOUCFPSA-N 1 0 201.329 3.150 10 0 BGAERO C[C@@H]1CCC[C@]([NH3+])(CCC(F)(F)F)C1 ZINC000306539400 360400215 /nfs/dbraw/zinc/40/02/15/360400215.db2.gz NFBITSBKAIXJSX-BDAKNGLRSA-N 1 0 209.255 3.237 10 0 BGAERO C[C@H]1CCC[C@@]([NH3+])(CCC(F)(F)F)C1 ZINC000306539402 360400130 /nfs/dbraw/zinc/40/01/30/360400130.db2.gz NFBITSBKAIXJSX-DTWKUNHWSA-N 1 0 209.255 3.237 10 0 BGAERO C[C@H]1CCC[C@]([NH3+])(CCC(F)(F)F)C1 ZINC000306539404 360399791 /nfs/dbraw/zinc/39/97/91/360399791.db2.gz NFBITSBKAIXJSX-IUCAKERBSA-N 1 0 209.255 3.237 10 0 BGAERO C[C@@H]1CCC[C@@]([NH3+])(CCC(F)(F)F)C1 ZINC000306539405 360401193 /nfs/dbraw/zinc/40/11/93/360401193.db2.gz NFBITSBKAIXJSX-RKDXNWHRSA-N 1 0 209.255 3.237 10 0 BGAERO C[NH2+][C@H](C)c1c(Cl)cccc1SC ZINC000306539636 360405612 /nfs/dbraw/zinc/40/56/12/360405612.db2.gz VICVFGVIJNHYAX-SSDOTTSWSA-N 1 0 215.749 3.342 10 0 BGAERO C[NH2+][C@@H](C)c1c(Cl)cccc1SC ZINC000306539640 360405682 /nfs/dbraw/zinc/40/56/82/360405682.db2.gz VICVFGVIJNHYAX-ZETCQYMHSA-N 1 0 215.749 3.342 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1csc(Cl)c1 ZINC000306542964 360411621 /nfs/dbraw/zinc/41/16/21/360411621.db2.gz VNTLSYRTCMZZAC-MRVPVSSYSA-N 1 0 203.738 3.447 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1csc(Cl)c1 ZINC000306542965 360411422 /nfs/dbraw/zinc/41/14/22/360411422.db2.gz VNTLSYRTCMZZAC-QMMMGPOBSA-N 1 0 203.738 3.447 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1sccc1Cl ZINC000306544926 353023274 /nfs/dbraw/zinc/02/32/74/353023274.db2.gz ZQGWTNDUCLLWAX-SSDOTTSWSA-N 1 0 207.701 3.149 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1sccc1Cl ZINC000306544927 353023149 /nfs/dbraw/zinc/02/31/49/353023149.db2.gz ZQGWTNDUCLLWAX-ZETCQYMHSA-N 1 0 207.701 3.149 10 0 BGAERO CC(C)[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)o1 ZINC000306545173 387287610 /nfs/dbraw/zinc/28/76/10/387287610.db2.gz VPQOKEUWARPSOZ-GMSGAONNSA-N 1 0 201.697 3.225 10 0 BGAERO CC(C)[C@H](C)[C@@H]([NH3+])c1ccc(Cl)o1 ZINC000306545178 387288160 /nfs/dbraw/zinc/28/81/60/387288160.db2.gz VPQOKEUWARPSOZ-OIBJUYFYSA-N 1 0 201.697 3.225 10 0 BGAERO CC(C)[C@@H](C)[C@H]([NH3+])c1ccc(Cl)o1 ZINC000306545184 360414671 /nfs/dbraw/zinc/41/46/71/360414671.db2.gz VPQOKEUWARPSOZ-XCBNKYQSSA-N 1 0 201.697 3.225 10 0 BGAERO CC(C)[C@H](C)[C@H]([NH3+])c1ccc(Cl)o1 ZINC000306545188 360414237 /nfs/dbraw/zinc/41/42/37/360414237.db2.gz VPQOKEUWARPSOZ-XVKPBYJWSA-N 1 0 201.697 3.225 10 0 BGAERO CC(C)([NH3+])[C@H](F)c1cc(F)ccc1Cl ZINC000306548571 360419119 /nfs/dbraw/zinc/41/91/19/360419119.db2.gz CTUWYCQBKRHHMC-SECBINFHSA-N 1 0 219.662 3.227 10 0 BGAERO CC(C)([NH3+])[C@@H](F)c1cc(F)ccc1Cl ZINC000306548573 360418704 /nfs/dbraw/zinc/41/87/04/360418704.db2.gz CTUWYCQBKRHHMC-VIFPVBQESA-N 1 0 219.662 3.227 10 0 BGAERO C[C@@H]1CCS[C@@]2(CC3CCC2CC3)[NH2+]1 ZINC000306549860 360419953 /nfs/dbraw/zinc/41/99/53/360419953.db2.gz DUOGVXRYBHJVOX-HBIQZDMRSA-N 1 0 211.374 3.008 10 0 BGAERO C[C@H]1CCS[C@@]2(CC3CCC2CC3)[NH2+]1 ZINC000306549861 360419989 /nfs/dbraw/zinc/41/99/89/360419989.db2.gz DUOGVXRYBHJVOX-WNYYMSAVSA-N 1 0 211.374 3.008 10 0 BGAERO C[C@H]1CCS[C@]2(CC3CCC2CC3)[NH2+]1 ZINC000306549862 360420050 /nfs/dbraw/zinc/42/00/50/360420050.db2.gz DUOGVXRYBHJVOX-XKGSQUFQSA-N 1 0 211.374 3.008 10 0 BGAERO C[C@@H]1CCS[C@]2(CC3CCC2CC3)[NH2+]1 ZINC000306549863 360419786 /nfs/dbraw/zinc/41/97/86/360419786.db2.gz DUOGVXRYBHJVOX-YYJSSNLHSA-N 1 0 211.374 3.008 10 0 BGAERO CC[C@@H]1CS[C@](CC)([C@@H]2CC2(C)C)[NH2+]1 ZINC000306552001 360425251 /nfs/dbraw/zinc/42/52/51/360425251.db2.gz DEHBDKTVVRNUBO-CKYFFXLPSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CS[C@@](CC)([C@@H]2CC2(C)C)[NH2+]1 ZINC000306552002 360425729 /nfs/dbraw/zinc/42/57/29/360425729.db2.gz DEHBDKTVVRNUBO-FOGDFJRCSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CS[C@](CC)([C@H]2CC2(C)C)[NH2+]1 ZINC000306552003 360425820 /nfs/dbraw/zinc/42/58/20/360425820.db2.gz DEHBDKTVVRNUBO-JFGNBEQYSA-N 1 0 213.390 3.254 10 0 BGAERO CC[C@@H]1CS[C@@](CC)([C@H]2CC2(C)C)[NH2+]1 ZINC000306552004 360425676 /nfs/dbraw/zinc/42/56/76/360425676.db2.gz DEHBDKTVVRNUBO-SCVCMEIPSA-N 1 0 213.390 3.254 10 0 BGAERO C[C@](F)(c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000306552006 360425432 /nfs/dbraw/zinc/42/54/32/360425432.db2.gz DEXYLJVAOYSUQR-GMSGAONNSA-N 1 0 233.739 3.196 10 0 BGAERO C[C@](F)(c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000306552007 360425485 /nfs/dbraw/zinc/42/54/85/360425485.db2.gz DEXYLJVAOYSUQR-OIBJUYFYSA-N 1 0 233.739 3.196 10 0 BGAERO C[C@@](F)(c1ccc(Cl)s1)[C@@H]1CC[NH2+]C1 ZINC000306552008 360425800 /nfs/dbraw/zinc/42/58/00/360425800.db2.gz DEXYLJVAOYSUQR-XCBNKYQSSA-N 1 0 233.739 3.196 10 0 BGAERO C[C@@](F)(c1ccc(Cl)s1)[C@H]1CC[NH2+]C1 ZINC000306552009 360425412 /nfs/dbraw/zinc/42/54/12/360425412.db2.gz DEXYLJVAOYSUQR-XVKPBYJWSA-N 1 0 233.739 3.196 10 0 BGAERO C[NH2+][C@H](COCc1ccccc1)[C@@H](C)C(C)C ZINC000306552170 360425796 /nfs/dbraw/zinc/42/57/96/360425796.db2.gz AUJBAVJLZVNEIH-DZGCQCFKSA-N 1 0 235.371 3.083 10 0 BGAERO C[NH2+][C@@H](COCc1ccccc1)[C@H](C)C(C)C ZINC000306552171 360425445 /nfs/dbraw/zinc/42/54/45/360425445.db2.gz AUJBAVJLZVNEIH-HIFRSBDPSA-N 1 0 235.371 3.083 10 0 BGAERO C[NH2+][C@H](COCc1ccccc1)[C@H](C)C(C)C ZINC000306552172 360425398 /nfs/dbraw/zinc/42/53/98/360425398.db2.gz AUJBAVJLZVNEIH-UKRRQHHQSA-N 1 0 235.371 3.083 10 0 BGAERO C[NH2+][C@@H](COCc1ccccc1)[C@@H](C)C(C)C ZINC000306552173 360425793 /nfs/dbraw/zinc/42/57/93/360425793.db2.gz AUJBAVJLZVNEIH-ZFWWWQNUSA-N 1 0 235.371 3.083 10 0 BGAERO [NH3+][C@@H]1CC/C(=C/c2sccc2Cl)C1 ZINC000306554222 353024440 /nfs/dbraw/zinc/02/44/40/353024440.db2.gz KBZVMUNZRZEUQI-NFXKFNAJSA-N 1 0 213.733 3.296 10 0 BGAERO [NH3+][C@H]1CC/C(=C/c2sccc2Cl)C1 ZINC000306554229 360428887 /nfs/dbraw/zinc/42/88/87/360428887.db2.gz KBZVMUNZRZEUQI-UAPHAKCISA-N 1 0 213.733 3.296 10 0 BGAERO Cc1cc(Cl)cc(C[C@@H]([NH3+])C(C)C)c1 ZINC000306555198 360427680 /nfs/dbraw/zinc/42/76/80/360427680.db2.gz FHLJUZYHRUMPFL-GFCCVEGCSA-N 1 0 211.736 3.174 10 0 BGAERO Cc1cc(Cl)cc(C[C@H]([NH3+])C(C)C)c1 ZINC000306555199 360427918 /nfs/dbraw/zinc/42/79/18/360427918.db2.gz FHLJUZYHRUMPFL-LBPRGKRZSA-N 1 0 211.736 3.174 10 0 BGAERO CCCC[C@@](C)(C[NH3+])N(C)Cc1ccccc1 ZINC000306560300 360435635 /nfs/dbraw/zinc/43/56/35/360435635.db2.gz RNOGZEWKVPZZQC-HNNXBMFYSA-N 1 0 234.387 3.026 10 0 BGAERO CCCC[C@](C)(C[NH3+])N(C)Cc1ccccc1 ZINC000306560303 360435860 /nfs/dbraw/zinc/43/58/60/360435860.db2.gz RNOGZEWKVPZZQC-OAHLLOKOSA-N 1 0 234.387 3.026 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000306561071 360437776 /nfs/dbraw/zinc/43/77/76/360437776.db2.gz BOGXOHSUGSPRSI-MRVPVSSYSA-N 1 0 233.142 3.434 10 0 BGAERO [NH3+][C@@]1(CCOCc2ccccc2)CC=CCC1 ZINC000306564145 360443016 /nfs/dbraw/zinc/44/30/16/360443016.db2.gz DPNNHXWOHYKYHI-HNNXBMFYSA-N 1 0 231.339 3.031 10 0 BGAERO [NH3+][C@]1(CCOCc2ccccc2)CC=CCC1 ZINC000306564146 360442613 /nfs/dbraw/zinc/44/26/13/360442613.db2.gz DPNNHXWOHYKYHI-OAHLLOKOSA-N 1 0 231.339 3.031 10 0 BGAERO CC[C@@H]1CCC[C@@H]([C@@H](F)C(C)(C)[NH3+])C1 ZINC000306568338 360450189 /nfs/dbraw/zinc/45/01/89/360450189.db2.gz UPLGBCOQIIVUGL-GMTAPVOTSA-N 1 0 201.329 3.278 10 0 BGAERO CC[C@@H]1CCC[C@@H]([C@H](F)C(C)(C)[NH3+])C1 ZINC000306568339 360449983 /nfs/dbraw/zinc/44/99/83/360449983.db2.gz UPLGBCOQIIVUGL-MXWKQRLJSA-N 1 0 201.329 3.278 10 0 BGAERO CC[C@@H]1CCC[C@H]([C@@H](F)C(C)(C)[NH3+])C1 ZINC000306568341 360450163 /nfs/dbraw/zinc/45/01/63/360450163.db2.gz UPLGBCOQIIVUGL-OUAUKWLOSA-N 1 0 201.329 3.278 10 0 BGAERO CC[C@@H]1CCC[C@H]([C@H](F)C(C)(C)[NH3+])C1 ZINC000306568342 360449422 /nfs/dbraw/zinc/44/94/22/360449422.db2.gz UPLGBCOQIIVUGL-VWYCJHECSA-N 1 0 201.329 3.278 10 0 BGAERO Cc1cc([C@@H]([NH3+])C(C)(C)F)sc1Cl ZINC000306579130 360468065 /nfs/dbraw/zinc/46/80/65/360468065.db2.gz WQAQAKOLGXWSBH-SSDOTTSWSA-N 1 0 221.728 3.458 10 0 BGAERO Cc1cc([C@H]([NH3+])C(C)(C)F)sc1Cl ZINC000306579131 360467409 /nfs/dbraw/zinc/46/74/09/360467409.db2.gz WQAQAKOLGXWSBH-ZETCQYMHSA-N 1 0 221.728 3.458 10 0 BGAERO CC(C)[C@H](C)[C@@](C)(F)C1CC[NH2+]CC1 ZINC000306588100 360492337 /nfs/dbraw/zinc/49/23/37/360492337.db2.gz VIZCHXZHXKOKGQ-CMPLNLGQSA-N 1 0 201.329 3.006 10 0 BGAERO CC(C)[C@H](C)[C@](C)(F)C1CC[NH2+]CC1 ZINC000306588102 360491930 /nfs/dbraw/zinc/49/19/30/360491930.db2.gz VIZCHXZHXKOKGQ-JQWIXIFHSA-N 1 0 201.329 3.006 10 0 BGAERO CC(C)[C@@H](C)[C@](C)(F)C1CC[NH2+]CC1 ZINC000306588104 360492344 /nfs/dbraw/zinc/49/23/44/360492344.db2.gz VIZCHXZHXKOKGQ-PWSUYJOCSA-N 1 0 201.329 3.006 10 0 BGAERO CC(C)[C@@H](C)[C@@](C)(F)C1CC[NH2+]CC1 ZINC000306588105 360491920 /nfs/dbraw/zinc/49/19/20/360491920.db2.gz VIZCHXZHXKOKGQ-ZYHUDNBSSA-N 1 0 201.329 3.006 10 0 BGAERO C[C@@H]1C[NH+](CCC(Cl)(Cl)Cl)C[C@H]1C ZINC000306590629 353027667 /nfs/dbraw/zinc/02/76/67/353027667.db2.gz VDPFXHUZXJGSSX-HTQZYQBOSA-N 1 0 244.593 3.335 10 0 BGAERO C[C@H]1C[N@H+](CCC(Cl)(Cl)Cl)C[C@H]1C ZINC000306590630 360497533 /nfs/dbraw/zinc/49/75/33/360497533.db2.gz VDPFXHUZXJGSSX-OCAPTIKFSA-N 1 0 244.593 3.335 10 0 BGAERO C[C@H]1C[NH+](CCC(Cl)(Cl)Cl)C[C@@H]1C ZINC000306590631 360497429 /nfs/dbraw/zinc/49/74/29/360497429.db2.gz VDPFXHUZXJGSSX-YUMQZZPRSA-N 1 0 244.593 3.335 10 0 BGAERO [NH3+][C@]1(Cc2sccc2Cl)CC=CCC1 ZINC000306592474 360511494 /nfs/dbraw/zinc/51/14/94/360511494.db2.gz WKVGUISBHLYFLQ-LLVKDONJSA-N 1 0 227.760 3.382 10 0 BGAERO [NH3+][C@@]1(Cc2sccc2Cl)CC=CCC1 ZINC000306592475 360511439 /nfs/dbraw/zinc/51/14/39/360511439.db2.gz WKVGUISBHLYFLQ-NSHDSACASA-N 1 0 227.760 3.382 10 0 BGAERO [NH3+][C@H](Cc1sccc1Cl)c1ccco1 ZINC000306595341 360516456 /nfs/dbraw/zinc/51/64/56/360516456.db2.gz KPSPLTWLXSTPSW-MRVPVSSYSA-N 1 0 227.716 3.237 10 0 BGAERO [NH3+][C@@H](Cc1sccc1Cl)c1ccco1 ZINC000306595342 360515782 /nfs/dbraw/zinc/51/57/82/360515782.db2.gz KPSPLTWLXSTPSW-QMMMGPOBSA-N 1 0 227.716 3.237 10 0 BGAERO CC(C)(C)[NH2+]Cc1nc(Cl)ccc1Cl ZINC000306595375 360516333 /nfs/dbraw/zinc/51/63/33/360516333.db2.gz KUHZCBMXFGCVLB-UHFFFAOYSA-N 1 0 233.142 3.277 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)C[C@@H]1CCCCC1(F)F ZINC000306598649 372042811 /nfs/dbraw/zinc/04/28/11/372042811.db2.gz QEYFDVWZHUQEKI-GUBZILKMSA-N 1 0 205.292 3.185 10 0 BGAERO C[C@H](C[C@H]1CCCCC1(F)F)[C@H](C)[NH3+] ZINC000306598650 372043679 /nfs/dbraw/zinc/04/36/79/372043679.db2.gz QEYFDVWZHUQEKI-KXUCPTDWSA-N 1 0 205.292 3.185 10 0 BGAERO C[C@H]([NH3+])[C@@H](C)C[C@H]1CCCCC1(F)F ZINC000306598651 372043407 /nfs/dbraw/zinc/04/34/07/372043407.db2.gz QEYFDVWZHUQEKI-LPEHRKFASA-N 1 0 205.292 3.185 10 0 BGAERO C[C@H](C[C@@H]1CCCCC1(F)F)[C@H](C)[NH3+] ZINC000306598652 372043636 /nfs/dbraw/zinc/04/36/36/372043636.db2.gz QEYFDVWZHUQEKI-UTLUCORTSA-N 1 0 205.292 3.185 10 0 BGAERO C[NH2+][C@H](c1cccs1)c1cc(C)cs1 ZINC000306609924 360598494 /nfs/dbraw/zinc/59/84/94/360598494.db2.gz ZJMLLMUQQKBTII-LLVKDONJSA-N 1 0 223.366 3.427 10 0 BGAERO C[NH2+][C@@H](c1cccs1)c1cc(C)cs1 ZINC000306609925 360598561 /nfs/dbraw/zinc/59/85/61/360598561.db2.gz ZJMLLMUQQKBTII-NSHDSACASA-N 1 0 223.366 3.427 10 0 BGAERO Cc1ccc([C@H](F)CC(C)(C)[NH3+])s1 ZINC000306613520 361084747 /nfs/dbraw/zinc/08/47/47/361084747.db2.gz KOUNVUKIIOSRCX-MRVPVSSYSA-N 1 0 201.310 3.195 10 0 BGAERO Cc1ccc([C@@H](F)CC(C)(C)[NH3+])s1 ZINC000306613521 361084767 /nfs/dbraw/zinc/08/47/67/361084767.db2.gz KOUNVUKIIOSRCX-QMMMGPOBSA-N 1 0 201.310 3.195 10 0 BGAERO C[NH2+][C@@H](C)/C(C)=C/c1sccc1Cl ZINC000306613941 361085500 /nfs/dbraw/zinc/08/55/00/361085500.db2.gz LMTYRRPXZFUNDZ-CZEYKFRCSA-N 1 0 215.749 3.413 10 0 BGAERO C[NH2+][C@H](C)/C(C)=C/c1sccc1Cl ZINC000306613942 361086124 /nfs/dbraw/zinc/08/61/24/361086124.db2.gz LMTYRRPXZFUNDZ-HYDMIIDASA-N 1 0 215.749 3.413 10 0 BGAERO Cc1ccc([C@H]2[NH2+]CC23CCCC3)s1 ZINC000306621321 353030344 /nfs/dbraw/zinc/03/03/44/353030344.db2.gz ZHAMZTYGQYKVKD-LLVKDONJSA-N 1 0 207.342 3.261 10 0 BGAERO C/C(=C\c1csc(Br)c1)[C@H](C)[NH3+] ZINC000306628117 361298455 /nfs/dbraw/zinc/29/84/55/361298455.db2.gz JIMVTXKYFQGNJC-ZAXDUSRUSA-N 1 0 246.173 3.261 10 0 BGAERO Cc1cc(F)c([C@H]([NH3+])C2CC2)cc1Cl ZINC000306628507 361298243 /nfs/dbraw/zinc/29/82/43/361298243.db2.gz JNAWVPLIIKBNEW-LLVKDONJSA-N 1 0 213.683 3.197 10 0 BGAERO Cc1cc(F)c([C@@H]([NH3+])C2CC2)cc1Cl ZINC000306628508 361298247 /nfs/dbraw/zinc/29/82/47/361298247.db2.gz JNAWVPLIIKBNEW-NSHDSACASA-N 1 0 213.683 3.197 10 0 BGAERO Cc1sc([C@H](C)C(C)C)nc1[C@@H](C)[NH3+] ZINC000306636236 361389669 /nfs/dbraw/zinc/38/96/69/361389669.db2.gz AXFDCMYNHDHNEW-HTQZYQBOSA-N 1 0 212.362 3.231 10 0 BGAERO Cc1sc([C@@H](C)C(C)C)nc1[C@@H](C)[NH3+] ZINC000306636241 361389583 /nfs/dbraw/zinc/38/95/83/361389583.db2.gz AXFDCMYNHDHNEW-JGVFFNPUSA-N 1 0 212.362 3.231 10 0 BGAERO Cc1sc([C@H](C)C(C)C)nc1[C@H](C)[NH3+] ZINC000306636246 361389507 /nfs/dbraw/zinc/38/95/07/361389507.db2.gz AXFDCMYNHDHNEW-SFYZADRCSA-N 1 0 212.362 3.231 10 0 BGAERO Cc1sc([C@@H](C)C(C)C)nc1[C@H](C)[NH3+] ZINC000306636253 361389200 /nfs/dbraw/zinc/38/92/00/361389200.db2.gz AXFDCMYNHDHNEW-YUMQZZPRSA-N 1 0 212.362 3.231 10 0 BGAERO Clc1ccsc1C[C@H]1CCCC[NH2+]C1 ZINC000306637810 361585306 /nfs/dbraw/zinc/58/53/06/361585306.db2.gz BNTMQMRZNUWGGI-SECBINFHSA-N 1 0 229.776 3.334 10 0 BGAERO Clc1ccsc1C[C@@H]1CCCC[NH2+]C1 ZINC000306637812 361584825 /nfs/dbraw/zinc/58/48/25/361584825.db2.gz BNTMQMRZNUWGGI-VIFPVBQESA-N 1 0 229.776 3.334 10 0 BGAERO CC[C@H]([NH2+]C)c1c(C)cccc1Br ZINC000306638159 361586485 /nfs/dbraw/zinc/58/64/85/361586485.db2.gz CCJIVHKDJCRCEE-JTQLQIEISA-N 1 0 242.160 3.428 10 0 BGAERO CC[C@@H]([NH2+]C)c1c(C)cccc1Br ZINC000306638169 361586224 /nfs/dbraw/zinc/58/62/24/361586224.db2.gz CCJIVHKDJCRCEE-SNVBAGLBSA-N 1 0 242.160 3.428 10 0 BGAERO CC(C)(C)[NH2+]Cc1csc(Cl)c1 ZINC000306639777 361593488 /nfs/dbraw/zinc/59/34/88/361593488.db2.gz OJEQAALQFBKRIC-UHFFFAOYSA-N 1 0 203.738 3.290 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000306640024 361593771 /nfs/dbraw/zinc/59/37/71/361593771.db2.gz IZMKBWQYBXNHEC-JTQLQIEISA-N 1 0 213.708 3.092 10 0 BGAERO CC[NH2+][C@@H](CCOCc1ccccc1)C(C)C ZINC000306641968 361756196 /nfs/dbraw/zinc/75/61/96/361756196.db2.gz ROFIWCVWCYYKRF-HNNXBMFYSA-N 1 0 235.371 3.227 10 0 BGAERO CC[NH2+][C@H](CCOCc1ccccc1)C(C)C ZINC000306641969 361756516 /nfs/dbraw/zinc/75/65/16/361756516.db2.gz ROFIWCVWCYYKRF-OAHLLOKOSA-N 1 0 235.371 3.227 10 0 BGAERO CC[C@@H]1[NH+]=C(NCc2ccccc2)S[C@H]1C ZINC000306642605 361774309 /nfs/dbraw/zinc/77/43/09/361774309.db2.gz UELAFSWPTCENHK-JQWIXIFHSA-N 1 0 234.368 3.046 10 0 BGAERO CC[C@@H]1[NH+]=C(NCc2ccccc2)S[C@@H]1C ZINC000306642606 361774118 /nfs/dbraw/zinc/77/41/18/361774118.db2.gz UELAFSWPTCENHK-PWSUYJOCSA-N 1 0 234.368 3.046 10 0 BGAERO Clc1cc(/C=C2/CCC[NH2+]C2)cs1 ZINC000306653503 361860801 /nfs/dbraw/zinc/86/08/01/361860801.db2.gz GXSAUVJRPAPUOT-YWEYNIOJSA-N 1 0 213.733 3.168 10 0 BGAERO Brc1cc(C[NH2+]C2CCCC2)co1 ZINC000306658136 361867569 /nfs/dbraw/zinc/86/75/69/361867569.db2.gz ILLSETXQUHLLCS-UHFFFAOYSA-N 1 0 244.132 3.074 10 0 BGAERO Clc1ccsc1[C@H]1[NH2+]C[C@@H]1C1CC1 ZINC000306664203 362021850 /nfs/dbraw/zinc/02/18/50/362021850.db2.gz RNWJNLSJDOPLSG-APPZFPTMSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1ccsc1[C@H]1[NH2+]C[C@H]1C1CC1 ZINC000306664204 362022146 /nfs/dbraw/zinc/02/21/46/362022146.db2.gz RNWJNLSJDOPLSG-CBAPKCEASA-N 1 0 213.733 3.072 10 0 BGAERO Clc1ccsc1[C@@H]1[NH2+]C[C@H]1C1CC1 ZINC000306664205 362022039 /nfs/dbraw/zinc/02/20/39/362022039.db2.gz RNWJNLSJDOPLSG-IONNQARKSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1ccsc1[C@@H]1[NH2+]C[C@@H]1C1CC1 ZINC000306664206 362021619 /nfs/dbraw/zinc/02/16/19/362021619.db2.gz RNWJNLSJDOPLSG-VXNVDRBHSA-N 1 0 213.733 3.072 10 0 BGAERO [NH3+][C@H]1C=C(Cc2sccc2Cl)CCC1 ZINC000306669518 362031894 /nfs/dbraw/zinc/03/18/94/362031894.db2.gz LFHUYBJVUVKTSG-SECBINFHSA-N 1 0 227.760 3.382 10 0 BGAERO [NH3+][C@@H]1C=C(Cc2sccc2Cl)CCC1 ZINC000306669519 362032356 /nfs/dbraw/zinc/03/23/56/362032356.db2.gz LFHUYBJVUVKTSG-VIFPVBQESA-N 1 0 227.760 3.382 10 0 BGAERO CC(C)([NH3+])[C@H](F)Cc1sccc1Cl ZINC000306671391 350816779 /nfs/dbraw/zinc/81/67/79/350816779.db2.gz YRSUVPNLIUUCCF-MRVPVSSYSA-N 1 0 221.728 3.019 10 0 BGAERO CC(C)([NH3+])[C@@H](F)Cc1sccc1Cl ZINC000306671392 350816820 /nfs/dbraw/zinc/81/68/20/350816820.db2.gz YRSUVPNLIUUCCF-QMMMGPOBSA-N 1 0 221.728 3.019 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@@H]1c1sccc1Cl ZINC000306672193 398325056 /nfs/dbraw/zinc/32/50/56/398325056.db2.gz ACJMJSDMCGQGFQ-HTRCEHHLSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@@H](C[NH3+])[C@@H]1c1sccc1Cl ZINC000306672196 398325127 /nfs/dbraw/zinc/32/51/27/398325127.db2.gz ACJMJSDMCGQGFQ-POYBYMJQSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@H](C[NH3+])[C@H]1c1sccc1Cl ZINC000306672197 398325005 /nfs/dbraw/zinc/32/50/05/398325005.db2.gz ACJMJSDMCGQGFQ-SVRRBLITSA-N 1 0 215.749 3.100 10 0 BGAERO CC1(C)[C@H](c2sccc2Cl)[C@@H]1C[NH3+] ZINC000306672198 398325028 /nfs/dbraw/zinc/32/50/28/398325028.db2.gz ACJMJSDMCGQGFQ-XPUUQOCRSA-N 1 0 215.749 3.100 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1Cc1csc(Cl)c1 ZINC000306674271 350823349 /nfs/dbraw/zinc/82/33/49/350823349.db2.gz QAXXPNISCMGLIO-BDAKNGLRSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1Cc1csc(Cl)c1 ZINC000306674272 350823167 /nfs/dbraw/zinc/82/31/67/350823167.db2.gz QAXXPNISCMGLIO-DTWKUNHWSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1Cc1csc(Cl)c1 ZINC000306674273 350822999 /nfs/dbraw/zinc/82/29/99/350822999.db2.gz QAXXPNISCMGLIO-IUCAKERBSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1csc(Cl)c1 ZINC000306674274 350823056 /nfs/dbraw/zinc/82/30/56/350823056.db2.gz QAXXPNISCMGLIO-RKDXNWHRSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+]Cc1coc(-c2sccc2Cl)c1 ZINC000306677601 350830409 /nfs/dbraw/zinc/83/04/09/350830409.db2.gz ZIJZYBBPCNRLBT-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO C/C(=C\Cl)C[NH2+]C1CCC(F)(F)CC1 ZINC000306678198 350833450 /nfs/dbraw/zinc/83/34/50/350833450.db2.gz AERBTCGFAJQWJR-SOFGYWHQSA-N 1 0 223.694 3.297 10 0 BGAERO CC[C@@H]1CS[C@H](C)[C@H](c2ccsc2)[NH2+]1 ZINC000306681584 350838152 /nfs/dbraw/zinc/83/81/52/350838152.db2.gz OJIUZCHODLLWGL-FBIMIBRVSA-N 1 0 227.398 3.293 10 0 BGAERO CC[C@@H]1CS[C@@H](C)[C@@H](c2ccsc2)[NH2+]1 ZINC000306681585 350838118 /nfs/dbraw/zinc/83/81/18/350838118.db2.gz OJIUZCHODLLWGL-GDPRMGEGSA-N 1 0 227.398 3.293 10 0 BGAERO CC[C@@H]1CS[C@H](C)[C@@H](c2ccsc2)[NH2+]1 ZINC000306681586 350838082 /nfs/dbraw/zinc/83/80/82/350838082.db2.gz OJIUZCHODLLWGL-IEBDPFPHSA-N 1 0 227.398 3.293 10 0 BGAERO CC[C@@H]1CS[C@@H](C)[C@H](c2ccsc2)[NH2+]1 ZINC000306681587 350838161 /nfs/dbraw/zinc/83/81/61/350838161.db2.gz OJIUZCHODLLWGL-JMJZKYOTSA-N 1 0 227.398 3.293 10 0 BGAERO CC[C@]1(C)[C@H]([NH3+])[C@@H](C)[C@@H]1c1ccsc1 ZINC000306681936 350838950 /nfs/dbraw/zinc/83/89/50/350838950.db2.gz PLDPMIYLJVFCSH-GMNPVEAJSA-N 1 0 209.358 3.225 10 0 BGAERO CC[C@]1(C)[C@H]([NH3+])[C@H](C)[C@@H]1c1ccsc1 ZINC000306681937 350838817 /nfs/dbraw/zinc/83/88/17/350838817.db2.gz PLDPMIYLJVFCSH-HKWIRBFKSA-N 1 0 209.358 3.225 10 0 BGAERO CC[C@]1(C)[C@H]([NH3+])[C@@H](C)[C@H]1c1ccsc1 ZINC000306681938 350838854 /nfs/dbraw/zinc/83/88/54/350838854.db2.gz PLDPMIYLJVFCSH-IXLVHKGHSA-N 1 0 209.358 3.225 10 0 BGAERO CC[C@]1(C)[C@H]([NH3+])[C@H](C)[C@H]1c1ccsc1 ZINC000306681939 350838899 /nfs/dbraw/zinc/83/88/99/350838899.db2.gz PLDPMIYLJVFCSH-KLHWPWHYSA-N 1 0 209.358 3.225 10 0 BGAERO CCC[C@@H]1C[C@]1([NH3+])c1ccc(Cl)s1 ZINC000306682059 350838812 /nfs/dbraw/zinc/83/88/12/350838812.db2.gz PYFZJVFLEYETPI-GMSGAONNSA-N 1 0 215.749 3.376 10 0 BGAERO CCC[C@H]1C[C@]1([NH3+])c1ccc(Cl)s1 ZINC000306682060 350838903 /nfs/dbraw/zinc/83/89/03/350838903.db2.gz PYFZJVFLEYETPI-OIBJUYFYSA-N 1 0 215.749 3.376 10 0 BGAERO CCC[C@@H]1C[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000306682061 350838738 /nfs/dbraw/zinc/83/87/38/350838738.db2.gz PYFZJVFLEYETPI-XCBNKYQSSA-N 1 0 215.749 3.376 10 0 BGAERO CCC[C@H]1C[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000306682062 350838762 /nfs/dbraw/zinc/83/87/62/350838762.db2.gz PYFZJVFLEYETPI-XVKPBYJWSA-N 1 0 215.749 3.376 10 0 BGAERO CSC(C)(C)c1nc([C@H](C)[NH3+])c(C)s1 ZINC000306682480 350838919 /nfs/dbraw/zinc/83/89/19/350838919.db2.gz RMQQGIFYCKEVNE-LURJTMIESA-N 1 0 230.402 3.069 10 0 BGAERO CSC(C)(C)c1nc([C@@H](C)[NH3+])c(C)s1 ZINC000306682521 350838751 /nfs/dbraw/zinc/83/87/51/350838751.db2.gz RMQQGIFYCKEVNE-ZCFIWIBFSA-N 1 0 230.402 3.069 10 0 BGAERO CC[C@@H]1[NH2+][C@@H](C)C[C@@H]1c1csc(C)c1 ZINC000306682561 350838865 /nfs/dbraw/zinc/83/88/65/350838865.db2.gz RQVOBIJFIAEILU-AXTRIDKLSA-N 1 0 209.358 3.301 10 0 BGAERO CC[C@@H]1[NH2+][C@H](C)C[C@@H]1c1csc(C)c1 ZINC000306682562 350838705 /nfs/dbraw/zinc/83/87/05/350838705.db2.gz RQVOBIJFIAEILU-FXAINCCUSA-N 1 0 209.358 3.301 10 0 BGAERO CC[C@@H]1[NH2+][C@@H](C)C[C@H]1c1csc(C)c1 ZINC000306682563 350838833 /nfs/dbraw/zinc/83/88/33/350838833.db2.gz RQVOBIJFIAEILU-UWJYBYFXSA-N 1 0 209.358 3.301 10 0 BGAERO CC[C@@H]1[NH2+][C@H](C)C[C@H]1c1csc(C)c1 ZINC000306682564 350838639 /nfs/dbraw/zinc/83/86/39/350838639.db2.gz RQVOBIJFIAEILU-ZHAHWJHGSA-N 1 0 209.358 3.301 10 0 BGAERO CC[C@@]1(c2ccsc2)[C@@H](C[NH3+])C1(C)C ZINC000306684288 350842087 /nfs/dbraw/zinc/84/20/87/350842087.db2.gz ZLANWEPQEORVRO-CMPLNLGQSA-N 1 0 209.358 3.011 10 0 BGAERO CC[C@]1(c2ccsc2)[C@@H](C[NH3+])C1(C)C ZINC000306684289 350842091 /nfs/dbraw/zinc/84/20/91/350842091.db2.gz ZLANWEPQEORVRO-JQWIXIFHSA-N 1 0 209.358 3.011 10 0 BGAERO CC[C@]1(c2ccsc2)[C@H](C[NH3+])C1(C)C ZINC000306684290 350842010 /nfs/dbraw/zinc/84/20/10/350842010.db2.gz ZLANWEPQEORVRO-PWSUYJOCSA-N 1 0 209.358 3.011 10 0 BGAERO CC[C@@]1(c2ccsc2)[C@H](C[NH3+])C1(C)C ZINC000306684291 350842167 /nfs/dbraw/zinc/84/21/67/350842167.db2.gz ZLANWEPQEORVRO-ZYHUDNBSSA-N 1 0 209.358 3.011 10 0 BGAERO C[NH2+][C@H](C)c1nc(C(C)(C)C)sc1C ZINC000306684308 350842160 /nfs/dbraw/zinc/84/21/60/350842160.db2.gz ZMYBSRSAVIWORR-SSDOTTSWSA-N 1 0 212.362 3.029 10 0 BGAERO C[NH2+][C@@H](C)c1nc(C(C)(C)C)sc1C ZINC000306684309 350842141 /nfs/dbraw/zinc/84/21/41/350842141.db2.gz ZMYBSRSAVIWORR-ZETCQYMHSA-N 1 0 212.362 3.029 10 0 BGAERO C[NH2+]Cc1cc(Cl)c(C)cc1Br ZINC000306685876 350843599 /nfs/dbraw/zinc/84/35/99/350843599.db2.gz FJXAYPBVZURIDS-UHFFFAOYSA-N 1 0 248.551 3.130 10 0 BGAERO Nc1cc[nH+]cc1SC1CCCCC1 ZINC000306699395 350848868 /nfs/dbraw/zinc/84/88/68/350848868.db2.gz DHVVZPMXVVAXPK-UHFFFAOYSA-N 1 0 208.330 3.089 10 0 BGAERO C[C@H]1CS[C@@]2(CCCC23CCCC3)[NH2+]1 ZINC000306701693 350851330 /nfs/dbraw/zinc/85/13/30/350851330.db2.gz HBBFLLXTCKUQOT-CMPLNLGQSA-N 1 0 211.374 3.152 10 0 BGAERO C[C@H]1CS[C@]2(CCCC23CCCC3)[NH2+]1 ZINC000306701694 350851395 /nfs/dbraw/zinc/85/13/95/350851395.db2.gz HBBFLLXTCKUQOT-JQWIXIFHSA-N 1 0 211.374 3.152 10 0 BGAERO C[C@@H]1CS[C@]2(CCCC23CCCC3)[NH2+]1 ZINC000306701696 350851350 /nfs/dbraw/zinc/85/13/50/350851350.db2.gz HBBFLLXTCKUQOT-PWSUYJOCSA-N 1 0 211.374 3.152 10 0 BGAERO C[C@@H]1CS[C@@]2(CCCC23CCCC3)[NH2+]1 ZINC000306701697 350850884 /nfs/dbraw/zinc/85/08/84/350850884.db2.gz HBBFLLXTCKUQOT-ZYHUDNBSSA-N 1 0 211.374 3.152 10 0 BGAERO CC(=[NH2+])Nc1cc(C)c(Br)cc1F ZINC000306704428 350851829 /nfs/dbraw/zinc/85/18/29/350851829.db2.gz HIBRTPDRNBNYIP-UHFFFAOYSA-N 1 0 245.095 3.306 10 0 BGAERO [NH3+][C@H](c1cccs1)[C@H]1CCCC1(F)F ZINC000306705681 350854466 /nfs/dbraw/zinc/85/44/66/350854466.db2.gz LGHAKIGYVQQTRZ-APPZFPTMSA-N 1 0 217.284 3.183 10 0 BGAERO [NH3+][C@H](c1cccs1)[C@@H]1CCCC1(F)F ZINC000306705992 350854331 /nfs/dbraw/zinc/85/43/31/350854331.db2.gz LGHAKIGYVQQTRZ-CBAPKCEASA-N 1 0 217.284 3.183 10 0 BGAERO [NH3+][C@@H](c1cccs1)[C@@H]1CCCC1(F)F ZINC000306705996 350854173 /nfs/dbraw/zinc/85/41/73/350854173.db2.gz LGHAKIGYVQQTRZ-IONNQARKSA-N 1 0 217.284 3.183 10 0 BGAERO [NH3+][C@@H](c1cccs1)[C@H]1CCCC1(F)F ZINC000306706000 350852475 /nfs/dbraw/zinc/85/24/75/350852475.db2.gz LGHAKIGYVQQTRZ-VXNVDRBHSA-N 1 0 217.284 3.183 10 0 BGAERO CSC(C)(C)[C@@H]([NH3+])c1ccccc1Cl ZINC000306708467 350856737 /nfs/dbraw/zinc/85/67/37/350856737.db2.gz OAVMWYYJXWLCNX-JTQLQIEISA-N 1 0 229.776 3.481 10 0 BGAERO CSC(C)(C)[C@H]([NH3+])c1ccccc1Cl ZINC000306708468 350856554 /nfs/dbraw/zinc/85/65/54/350856554.db2.gz OAVMWYYJXWLCNX-SNVBAGLBSA-N 1 0 229.776 3.481 10 0 BGAERO C[NH2+]C(C)(C)c1c(Cl)cccc1Cl ZINC000306709615 350859545 /nfs/dbraw/zinc/85/95/45/350859545.db2.gz PTMKXUJDMXXLCQ-UHFFFAOYSA-N 1 0 218.127 3.448 10 0 BGAERO C[C@@H]1C[C@@H](c2sccc2Cl)[C@@H](C)[NH2+]1 ZINC000306717880 350878410 /nfs/dbraw/zinc/87/84/10/350878410.db2.gz IDMHFDMUNNKQRV-BWZBUEFSSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@H](c2sccc2Cl)[C@H](C)[NH2+]1 ZINC000306717881 350878354 /nfs/dbraw/zinc/87/83/54/350878354.db2.gz IDMHFDMUNNKQRV-CSMHCCOUSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@@H](c2sccc2Cl)[C@H](C)[NH2+]1 ZINC000306717882 350878195 /nfs/dbraw/zinc/87/81/95/350878195.db2.gz IDMHFDMUNNKQRV-GJMOJQLCSA-N 1 0 215.749 3.255 10 0 BGAERO C[C@@H]1C[C@H](c2sccc2Cl)[C@@H](C)[NH2+]1 ZINC000306717883 350878412 /nfs/dbraw/zinc/87/84/12/350878412.db2.gz IDMHFDMUNNKQRV-PRJMDXOYSA-N 1 0 215.749 3.255 10 0 BGAERO CS[C@@H]1CCCC[C@H]1[NH2+]C(C)(C)C ZINC000306723906 350891090 /nfs/dbraw/zinc/89/10/90/350891090.db2.gz HUZULHUUIILVQJ-NXEZZACHSA-N 1 0 201.379 3.049 10 0 BGAERO CS[C@H]1CCCC[C@@H]1[NH2+]C(C)(C)C ZINC000306723907 350891201 /nfs/dbraw/zinc/89/12/01/350891201.db2.gz HUZULHUUIILVQJ-UWVGGRQHSA-N 1 0 201.379 3.049 10 0 BGAERO CS[C@@H]1CCCC[C@@H]1[NH2+]C(C)(C)C ZINC000306723908 350891064 /nfs/dbraw/zinc/89/10/64/350891064.db2.gz HUZULHUUIILVQJ-VHSXEESVSA-N 1 0 201.379 3.049 10 0 BGAERO CS[C@H]1CCCC[C@H]1[NH2+]C(C)(C)C ZINC000306723909 350891342 /nfs/dbraw/zinc/89/13/42/350891342.db2.gz HUZULHUUIILVQJ-ZJUUUORDSA-N 1 0 201.379 3.049 10 0 BGAERO CC[C@@H]([NH3+])c1c(Cl)ccc(F)c1F ZINC000306724519 350893899 /nfs/dbraw/zinc/89/38/99/350893899.db2.gz ITBQPQDFLQEILK-SSDOTTSWSA-N 1 0 205.635 3.028 10 0 BGAERO CC[C@H]([NH3+])c1c(Cl)ccc(F)c1F ZINC000306724520 350894222 /nfs/dbraw/zinc/89/42/22/350894222.db2.gz ITBQPQDFLQEILK-ZETCQYMHSA-N 1 0 205.635 3.028 10 0 BGAERO CCc1nccn1Cc1csc(Cl)c1 ZINC000306724580 372061889 /nfs/dbraw/zinc/06/18/89/372061889.db2.gz IZJNMNUUAPPUED-UHFFFAOYSA-N 1 0 226.732 3.209 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc(O)c(Cl)c1 ZINC000306726792 350897197 /nfs/dbraw/zinc/89/71/97/350897197.db2.gz IZMKBWQYBXNHEC-SNVBAGLBSA-N 1 0 213.708 3.092 10 0 BGAERO [NH3+][C@H](Cc1csc(Cl)c1)c1cscn1 ZINC000306727987 350898891 /nfs/dbraw/zinc/89/88/91/350898891.db2.gz NBTKBGWIYGRTLV-SSDOTTSWSA-N 1 0 244.772 3.101 10 0 BGAERO [NH3+][C@@H](Cc1csc(Cl)c1)c1cscn1 ZINC000306727988 350898625 /nfs/dbraw/zinc/89/86/25/350898625.db2.gz NBTKBGWIYGRTLV-ZETCQYMHSA-N 1 0 244.772 3.101 10 0 BGAERO CC(C)(C)CC[C@]1(C)[NH2+]CCCS1 ZINC000306730811 350900892 /nfs/dbraw/zinc/90/08/92/350900892.db2.gz PXXAXRBBCOFIHU-LLVKDONJSA-N 1 0 201.379 3.255 10 0 BGAERO CC(C)(C)CC[C@@]1(C)[NH2+]CCCS1 ZINC000306730812 350900771 /nfs/dbraw/zinc/90/07/71/350900771.db2.gz PXXAXRBBCOFIHU-NSHDSACASA-N 1 0 201.379 3.255 10 0 BGAERO [NH3+][C@H](Cc1sccc1Cl)c1cscn1 ZINC000306731610 350901622 /nfs/dbraw/zinc/90/16/22/350901622.db2.gz QVNOEGBNXNNPLF-SSDOTTSWSA-N 1 0 244.772 3.101 10 0 BGAERO [NH3+][C@@H](Cc1sccc1Cl)c1cscn1 ZINC000306731616 350901809 /nfs/dbraw/zinc/90/18/09/350901809.db2.gz QVNOEGBNXNNPLF-ZETCQYMHSA-N 1 0 244.772 3.101 10 0 BGAERO CC[C@H]([NH3+])c1cc(Cl)c(C)cc1F ZINC000306734372 350904875 /nfs/dbraw/zinc/90/48/75/350904875.db2.gz OBDFPJADYZKGJK-JTQLQIEISA-N 1 0 201.672 3.197 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1Cc1sccc1Cl ZINC000306735482 372063049 /nfs/dbraw/zinc/06/30/49/372063049.db2.gz WFWTUYDKGTYBBY-PSASIEDQSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H]1Cc1sccc1Cl ZINC000306735483 372062973 /nfs/dbraw/zinc/06/29/73/372062973.db2.gz WFWTUYDKGTYBBY-SCZZXKLOSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1Cc1sccc1Cl ZINC000306735484 372062801 /nfs/dbraw/zinc/06/28/01/372062801.db2.gz WFWTUYDKGTYBBY-WCBMZHEXSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1Cc1sccc1Cl ZINC000306735485 372062764 /nfs/dbraw/zinc/06/27/64/372062764.db2.gz WFWTUYDKGTYBBY-WPRPVWTQSA-N 1 0 229.776 3.462 10 0 BGAERO CCc1cc(C)sc1[C@H]([NH3+])[C@@H]1C[C@H]1C ZINC000306735945 350905636 /nfs/dbraw/zinc/90/56/36/350905636.db2.gz WVZNYUJKZJWDQR-AVPPRXQKSA-N 1 0 209.358 3.275 10 0 BGAERO CCc1cc(C)sc1[C@H]([NH3+])[C@H]1C[C@@H]1C ZINC000306735946 350905296 /nfs/dbraw/zinc/90/52/96/350905296.db2.gz WVZNYUJKZJWDQR-BKDNQFJXSA-N 1 0 209.358 3.275 10 0 BGAERO CCc1cc(C)sc1[C@H]([NH3+])[C@H]1C[C@H]1C ZINC000306735947 350905337 /nfs/dbraw/zinc/90/53/37/350905337.db2.gz WVZNYUJKZJWDQR-PPKCKEKNSA-N 1 0 209.358 3.275 10 0 BGAERO CCc1cc(C)sc1[C@H]([NH3+])[C@@H]1C[C@@H]1C ZINC000306735948 350905787 /nfs/dbraw/zinc/90/57/87/350905787.db2.gz WVZNYUJKZJWDQR-WHGOUJPWSA-N 1 0 209.358 3.275 10 0 BGAERO Cc1cscc1NC(=[NH2+])NCc1ccccc1 ZINC000306739732 350912430 /nfs/dbraw/zinc/91/24/30/350912430.db2.gz BCFBPBJZPULKCA-UHFFFAOYSA-N 1 0 245.351 3.193 10 0 BGAERO Nc1cc(-c2ccsc2Cl)ccn1 ZINC000306754421 350965911 /nfs/dbraw/zinc/96/59/11/350965911.db2.gz NNNIXBIZSWGEFR-UHFFFAOYSA-N 1 0 210.689 3.046 10 0 BGAERO Cc1cc(C)c([C@@H]([NH3+])C(C)(C)F)s1 ZINC000306760777 350985190 /nfs/dbraw/zinc/98/51/90/350985190.db2.gz YHDVAIRIUIIBAL-SECBINFHSA-N 1 0 201.310 3.113 10 0 BGAERO Cc1cc(C)c([C@H]([NH3+])C(C)(C)F)s1 ZINC000306760779 350985164 /nfs/dbraw/zinc/98/51/64/350985164.db2.gz YHDVAIRIUIIBAL-VIFPVBQESA-N 1 0 201.310 3.113 10 0 BGAERO C[C@@H]([NH3+])[C@](C)(F)Cc1ccc(Cl)s1 ZINC000306762963 350993144 /nfs/dbraw/zinc/99/31/44/350993144.db2.gz YEVOEHLTWUWPTI-HZGVNTEJSA-N 1 0 221.728 3.019 10 0 BGAERO C[C@H]([NH3+])[C@](C)(F)Cc1ccc(Cl)s1 ZINC000306762979 350993002 /nfs/dbraw/zinc/99/30/02/350993002.db2.gz YEVOEHLTWUWPTI-IMTBSYHQSA-N 1 0 221.728 3.019 10 0 BGAERO C[C@@H]([NH3+])[C@@](C)(F)Cc1ccc(Cl)s1 ZINC000306762983 350992860 /nfs/dbraw/zinc/99/28/60/350992860.db2.gz YEVOEHLTWUWPTI-MUWHJKNJSA-N 1 0 221.728 3.019 10 0 BGAERO C[C@H]([NH3+])[C@@](C)(F)Cc1ccc(Cl)s1 ZINC000306762986 350992927 /nfs/dbraw/zinc/99/29/27/350992927.db2.gz YEVOEHLTWUWPTI-RCOVLWMOSA-N 1 0 221.728 3.019 10 0 BGAERO CCCc1sc(Br)c(C[NH3+])c1C ZINC000306764001 350995036 /nfs/dbraw/zinc/99/50/36/350995036.db2.gz GWXSUIFWKJKJAI-UHFFFAOYSA-N 1 0 248.189 3.230 10 0 BGAERO CC[C@@H]([NH3+])c1cc(Cl)c(C)cc1F ZINC000306766396 351002842 /nfs/dbraw/zinc/00/28/42/351002842.db2.gz OBDFPJADYZKGJK-SNVBAGLBSA-N 1 0 201.672 3.197 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@H]1c1cccc(Cl)c1 ZINC000306771880 351009611 /nfs/dbraw/zinc/00/96/11/351009611.db2.gz CRSFQIXBQLGYPY-NEPJUHHUSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000306771881 351009508 /nfs/dbraw/zinc/00/95/08/351009508.db2.gz CRSFQIXBQLGYPY-NWDGAFQWSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@H]1c1cccc(Cl)c1 ZINC000306771882 351009439 /nfs/dbraw/zinc/00/94/39/351009439.db2.gz CRSFQIXBQLGYPY-RYUDHWBXSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@@H]1c1cccc(Cl)c1 ZINC000306771883 351009429 /nfs/dbraw/zinc/00/94/29/351009429.db2.gz CRSFQIXBQLGYPY-VXGBXAGGSA-N 1 0 209.720 3.257 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1coc(Br)c1 ZINC000306772064 353038034 /nfs/dbraw/zinc/03/80/34/353038034.db2.gz DCAIMAAKXIKNHX-HZGVNTEJSA-N 1 0 232.121 3.088 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1coc(Br)c1 ZINC000306772065 351009424 /nfs/dbraw/zinc/00/94/24/351009424.db2.gz DCAIMAAKXIKNHX-IMTBSYHQSA-N 1 0 232.121 3.088 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1coc(Br)c1 ZINC000306772066 351009669 /nfs/dbraw/zinc/00/96/69/351009669.db2.gz DCAIMAAKXIKNHX-MUWHJKNJSA-N 1 0 232.121 3.088 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1coc(Br)c1 ZINC000306772067 351009763 /nfs/dbraw/zinc/00/97/63/351009763.db2.gz DCAIMAAKXIKNHX-RCOVLWMOSA-N 1 0 232.121 3.088 10 0 BGAERO C/C(=C/c1ccc(Br)cc1C)C[NH3+] ZINC000306776167 351018094 /nfs/dbraw/zinc/01/80/94/351018094.db2.gz YCTCZROVLLTRQF-YVMONPNESA-N 1 0 240.144 3.120 10 0 BGAERO Clc1ccc([C@@H]2[NH2+]C[C@@H]2C2CC2)s1 ZINC000306778875 372067452 /nfs/dbraw/zinc/06/74/52/372067452.db2.gz PLTOFWYNTPOWPI-GMSGAONNSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1ccc([C@@H]2[NH2+]C[C@H]2C2CC2)s1 ZINC000306778876 372067559 /nfs/dbraw/zinc/06/75/59/372067559.db2.gz PLTOFWYNTPOWPI-OIBJUYFYSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1ccc([C@H]2[NH2+]C[C@@H]2C2CC2)s1 ZINC000306778877 351018836 /nfs/dbraw/zinc/01/88/36/351018836.db2.gz PLTOFWYNTPOWPI-XCBNKYQSSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1ccc([C@H]2[NH2+]C[C@H]2C2CC2)s1 ZINC000306778878 351019173 /nfs/dbraw/zinc/01/91/73/351019173.db2.gz PLTOFWYNTPOWPI-XVKPBYJWSA-N 1 0 213.733 3.072 10 0 BGAERO C[C@@H]1CCCC[C@]1(C[NH3+])C[Si](C)(C)C ZINC000306781663 351026452 /nfs/dbraw/zinc/02/64/52/351026452.db2.gz BSMVZYRORMNVGJ-NEPJUHHUSA-N 1 0 213.441 3.480 10 0 BGAERO C[C@H]1CCCC[C@@]1(C[NH3+])C[Si](C)(C)C ZINC000306781666 351026484 /nfs/dbraw/zinc/02/64/84/351026484.db2.gz BSMVZYRORMNVGJ-NWDGAFQWSA-N 1 0 213.441 3.480 10 0 BGAERO C[C@H]1CCCC[C@]1(C[NH3+])C[Si](C)(C)C ZINC000306781670 351026515 /nfs/dbraw/zinc/02/65/15/351026515.db2.gz BSMVZYRORMNVGJ-RYUDHWBXSA-N 1 0 213.441 3.480 10 0 BGAERO C[C@@H]1CCCC[C@@]1(C[NH3+])C[Si](C)(C)C ZINC000306781674 351026466 /nfs/dbraw/zinc/02/64/66/351026466.db2.gz BSMVZYRORMNVGJ-VXGBXAGGSA-N 1 0 213.441 3.480 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](C2(C)CCCCCC2)S1 ZINC000306784098 351034551 /nfs/dbraw/zinc/03/45/51/351034551.db2.gz LSUUNGQYAFIPOB-GHMZBOCLSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@@H]1C[NH2+][C@H](C2(C)CCCCCC2)S1 ZINC000306784099 351034384 /nfs/dbraw/zinc/03/43/84/351034384.db2.gz LSUUNGQYAFIPOB-MNOVXSKESA-N 1 0 213.390 3.398 10 0 BGAERO C[C@H]1C[NH2+][C@H](C2(C)CCCCCC2)S1 ZINC000306784100 351034434 /nfs/dbraw/zinc/03/44/34/351034434.db2.gz LSUUNGQYAFIPOB-QWRGUYRKSA-N 1 0 213.390 3.398 10 0 BGAERO C[C@H]1C[NH2+][C@@H](C2(C)CCCCCC2)S1 ZINC000306784101 351035420 /nfs/dbraw/zinc/03/54/20/351035420.db2.gz LSUUNGQYAFIPOB-WDEREUQCSA-N 1 0 213.390 3.398 10 0 BGAERO C/C(=C/C[NH3+])c1c(Cl)cccc1Cl ZINC000306791015 351042037 /nfs/dbraw/zinc/04/20/37/351042037.db2.gz ZNHWEWSXSVPNJZ-ALCCZGGFSA-N 1 0 216.111 3.355 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000306795082 351042790 /nfs/dbraw/zinc/04/27/90/351042790.db2.gz GHBSNUKYDMHWQX-NEPJUHHUSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000306795083 351043037 /nfs/dbraw/zinc/04/30/37/351043037.db2.gz GHBSNUKYDMHWQX-NWDGAFQWSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@H]1c1ccc(Cl)cc1 ZINC000306795084 351042664 /nfs/dbraw/zinc/04/26/64/351042664.db2.gz GHBSNUKYDMHWQX-RYUDHWBXSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@@H]1c1ccc(Cl)cc1 ZINC000306795085 351043025 /nfs/dbraw/zinc/04/30/25/351043025.db2.gz GHBSNUKYDMHWQX-VXGBXAGGSA-N 1 0 209.720 3.257 10 0 BGAERO [NH3+][C@@H]1C=C(CCCOCc2ccccc2)CC1 ZINC000306799685 351054419 /nfs/dbraw/zinc/05/44/19/351054419.db2.gz GNIWZPKTQKVJSE-HNNXBMFYSA-N 1 0 231.339 3.031 10 0 BGAERO [NH3+][C@H]1C=C(CCCOCc2ccccc2)CC1 ZINC000306799686 351054479 /nfs/dbraw/zinc/05/44/79/351054479.db2.gz GNIWZPKTQKVJSE-OAHLLOKOSA-N 1 0 231.339 3.031 10 0 BGAERO C[C@H]1CC([C@@H](F)C(C)(C)[NH3+])C[C@H](C)C1 ZINC000306804360 351058675 /nfs/dbraw/zinc/05/86/75/351058675.db2.gz XSSZJGGLLCCBJD-FXPVBKGRSA-N 1 0 201.329 3.134 10 0 BGAERO C[C@H]1CC([C@H](F)C(C)(C)[NH3+])C[C@H](C)C1 ZINC000306804361 351058579 /nfs/dbraw/zinc/05/85/79/351058579.db2.gz XSSZJGGLLCCBJD-KKZNHRDASA-N 1 0 201.329 3.134 10 0 BGAERO C[C@H]1C[C@H]([C@@H](F)C(C)(C)[NH3+])C[C@@H](C)C1 ZINC000306804362 351058937 /nfs/dbraw/zinc/05/89/37/351058937.db2.gz XSSZJGGLLCCBJD-VPOLOUISSA-N 1 0 201.329 3.134 10 0 BGAERO C[C@H]1C[C@H]([C@H](F)C(C)(C)[NH3+])C[C@@H](C)C1 ZINC000306804363 351058614 /nfs/dbraw/zinc/05/86/14/351058614.db2.gz XSSZJGGLLCCBJD-ZDCRXTMVSA-N 1 0 201.329 3.134 10 0 BGAERO Cc1ccc([C@H]([NH3+])c2cocc2C)s1 ZINC000306806239 351057748 /nfs/dbraw/zinc/05/77/48/351057748.db2.gz JCGHLXAMXSOUOW-LLVKDONJSA-N 1 0 207.298 3.006 10 0 BGAERO Cc1ccc([C@@H]([NH3+])c2cocc2C)s1 ZINC000306806240 351057543 /nfs/dbraw/zinc/05/75/43/351057543.db2.gz JCGHLXAMXSOUOW-NSHDSACASA-N 1 0 207.298 3.006 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@@H]1c1ccccc1Cl ZINC000306809118 351061925 /nfs/dbraw/zinc/06/19/25/351061925.db2.gz RBKHLSJHZSRAON-CMPLNLGQSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@H]1c1ccccc1Cl ZINC000306809119 351061890 /nfs/dbraw/zinc/06/18/90/351061890.db2.gz RBKHLSJHZSRAON-JQWIXIFHSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@H]1c1ccccc1Cl ZINC000306809120 351061996 /nfs/dbraw/zinc/06/19/96/351061996.db2.gz RBKHLSJHZSRAON-PWSUYJOCSA-N 1 0 209.720 3.257 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@@H]1c1ccccc1Cl ZINC000306809121 351062286 /nfs/dbraw/zinc/06/22/86/351062286.db2.gz RBKHLSJHZSRAON-ZYHUDNBSSA-N 1 0 209.720 3.257 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000306813616 398206163 /nfs/dbraw/zinc/20/61/63/398206163.db2.gz AVJJCQOXZUHJJI-HZGVNTEJSA-N 1 0 233.142 3.434 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000306813622 398206209 /nfs/dbraw/zinc/20/62/09/398206209.db2.gz AVJJCQOXZUHJJI-IMTBSYHQSA-N 1 0 233.142 3.434 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000306813626 398206482 /nfs/dbraw/zinc/20/64/82/398206482.db2.gz AVJJCQOXZUHJJI-MUWHJKNJSA-N 1 0 233.142 3.434 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000306813629 398205707 /nfs/dbraw/zinc/20/57/07/398205707.db2.gz AVJJCQOXZUHJJI-RCOVLWMOSA-N 1 0 233.142 3.434 10 0 BGAERO C/C(=C/CC[NH3+])c1c(F)cccc1Cl ZINC000306817176 385806474 /nfs/dbraw/zinc/80/64/74/385806474.db2.gz DQKZLWXQCACFNO-YWEYNIOJSA-N 1 0 213.683 3.231 10 0 BGAERO Cc1csc([C@H]([NH3+])c2ccc[nH]2)c1Cl ZINC000306820706 351129092 /nfs/dbraw/zinc/12/90/92/351129092.db2.gz JIOBTIDUZDOBBZ-SECBINFHSA-N 1 0 226.732 3.086 10 0 BGAERO Cc1csc([C@@H]([NH3+])c2ccc[nH]2)c1Cl ZINC000306820709 351128652 /nfs/dbraw/zinc/12/86/52/351128652.db2.gz JIOBTIDUZDOBBZ-VIFPVBQESA-N 1 0 226.732 3.086 10 0 BGAERO C[C@@H]([NH3+])c1csc([C@@H](C)C(C)(C)C)n1 ZINC000306820942 351127149 /nfs/dbraw/zinc/12/71/49/351127149.db2.gz JSHAZYNZFVMSGS-HTQZYQBOSA-N 1 0 212.362 3.312 10 0 BGAERO C[C@@H]([NH3+])c1csc([C@H](C)C(C)(C)C)n1 ZINC000306820943 351126985 /nfs/dbraw/zinc/12/69/85/351126985.db2.gz JSHAZYNZFVMSGS-JGVFFNPUSA-N 1 0 212.362 3.312 10 0 BGAERO C[C@H]([NH3+])c1csc([C@@H](C)C(C)(C)C)n1 ZINC000306820944 351127063 /nfs/dbraw/zinc/12/70/63/351127063.db2.gz JSHAZYNZFVMSGS-SFYZADRCSA-N 1 0 212.362 3.312 10 0 BGAERO C[C@@H](c1nc([C@H](C)[NH3+])cs1)C(C)(C)C ZINC000306820945 351127308 /nfs/dbraw/zinc/12/73/08/351127308.db2.gz JSHAZYNZFVMSGS-YUMQZZPRSA-N 1 0 212.362 3.312 10 0 BGAERO C[C@@H]([NH3+])c1cnc([C@@H](C)C(C)(C)C)s1 ZINC000306822646 351128605 /nfs/dbraw/zinc/12/86/05/351128605.db2.gz NPLACZZERUUGEG-HTQZYQBOSA-N 1 0 212.362 3.312 10 0 BGAERO C[C@@H]([NH3+])c1cnc([C@H](C)C(C)(C)C)s1 ZINC000306822647 351128737 /nfs/dbraw/zinc/12/87/37/351128737.db2.gz NPLACZZERUUGEG-JGVFFNPUSA-N 1 0 212.362 3.312 10 0 BGAERO C[C@H]([NH3+])c1cnc([C@@H](C)C(C)(C)C)s1 ZINC000306822648 351128890 /nfs/dbraw/zinc/12/88/90/351128890.db2.gz NPLACZZERUUGEG-SFYZADRCSA-N 1 0 212.362 3.312 10 0 BGAERO C[C@@H](c1ncc([C@H](C)[NH3+])s1)C(C)(C)C ZINC000306822649 351128828 /nfs/dbraw/zinc/12/88/28/351128828.db2.gz NPLACZZERUUGEG-YUMQZZPRSA-N 1 0 212.362 3.312 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1sccc1Br ZINC000306824551 351131903 /nfs/dbraw/zinc/13/19/03/351131903.db2.gz WBPJAPIBKFOYIK-MRVPVSSYSA-N 1 0 246.173 3.181 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1sccc1Br ZINC000306824552 351132306 /nfs/dbraw/zinc/13/23/06/351132306.db2.gz WBPJAPIBKFOYIK-QMMMGPOBSA-N 1 0 246.173 3.181 10 0 BGAERO Cc1oc(Br)cc1[C@@H]([NH3+])C1CCC1 ZINC000306828514 385841245 /nfs/dbraw/zinc/84/12/45/385841245.db2.gz FZZHYUZITODJOO-JTQLQIEISA-N 1 0 244.132 3.150 10 0 BGAERO Cc1oc(Br)cc1[C@H]([NH3+])C1CCC1 ZINC000306828515 385840531 /nfs/dbraw/zinc/84/05/31/385840531.db2.gz FZZHYUZITODJOO-SNVBAGLBSA-N 1 0 244.132 3.150 10 0 BGAERO C[C@H](C[NH3+])[C@H](F)c1c(F)cccc1Cl ZINC000306837823 351148405 /nfs/dbraw/zinc/14/84/05/351148405.db2.gz WDJXQNCTENXOKO-LDWIPMOCSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@H](C[NH3+])[C@@H](F)c1c(F)cccc1Cl ZINC000306837824 351148407 /nfs/dbraw/zinc/14/84/07/351148407.db2.gz WDJXQNCTENXOKO-LHLIQPBNSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@@H](C[NH3+])[C@@H](F)c1c(F)cccc1Cl ZINC000306837825 351148663 /nfs/dbraw/zinc/14/86/63/351148663.db2.gz WDJXQNCTENXOKO-QUBYGPBYSA-N 1 0 219.662 3.085 10 0 BGAERO C[C@@H](C[NH3+])[C@H](F)c1c(F)cccc1Cl ZINC000306837826 351148675 /nfs/dbraw/zinc/14/86/75/351148675.db2.gz WDJXQNCTENXOKO-WKEGUHRASA-N 1 0 219.662 3.085 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@H]2CCC1CC1 ZINC000306844678 566277015 /nfs/dbraw/zinc/27/70/15/566277015.db2.gz FMQIDOXIWAVOEX-LLVKDONJSA-N 1 0 207.342 3.125 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@H]2CCC1CC1 ZINC000306844679 566276954 /nfs/dbraw/zinc/27/69/54/566276954.db2.gz FMQIDOXIWAVOEX-NSHDSACASA-N 1 0 207.342 3.125 10 0 BGAERO C[C@]1([C@H]([NH3+])c2ccsc2Cl)C[C@H]1F ZINC000306857629 351183547 /nfs/dbraw/zinc/18/35/47/351183547.db2.gz DPIMSHLUYDHMLK-BHNWBGBOSA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@@H]([NH3+])c2ccsc2Cl)C[C@H]1F ZINC000306857632 351183500 /nfs/dbraw/zinc/18/35/00/351183500.db2.gz DPIMSHLUYDHMLK-FJXKBIBVSA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@H]([NH3+])c2ccsc2Cl)C[C@@H]1F ZINC000306857635 351183457 /nfs/dbraw/zinc/18/34/57/351183457.db2.gz DPIMSHLUYDHMLK-OOZYFLPDSA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@@H]([NH3+])c2ccsc2Cl)C[C@@H]1F ZINC000306857638 351183576 /nfs/dbraw/zinc/18/35/76/351183576.db2.gz DPIMSHLUYDHMLK-ZKWXMUAHSA-N 1 0 219.712 3.149 10 0 BGAERO [NH3+][C@H](c1c(Cl)ccc(F)c1F)C1CC1 ZINC000306859436 388387741 /nfs/dbraw/zinc/38/77/41/388387741.db2.gz DBUKXYRNNPQXAA-JTQLQIEISA-N 1 0 217.646 3.028 10 0 BGAERO [NH3+][C@@H](c1c(Cl)ccc(F)c1F)C1CC1 ZINC000306859442 388387748 /nfs/dbraw/zinc/38/77/48/388387748.db2.gz DBUKXYRNNPQXAA-SNVBAGLBSA-N 1 0 217.646 3.028 10 0 BGAERO CC[C@@H]1SC(NCc2ccccc2)=[NH+][C@H]1C ZINC000306861643 351240968 /nfs/dbraw/zinc/24/09/68/351240968.db2.gz FSZCPGFLIFEHMP-JQWIXIFHSA-N 1 0 234.368 3.046 10 0 BGAERO CC[C@@H]1SC(NCc2ccccc2)=[NH+][C@@H]1C ZINC000306861645 351241540 /nfs/dbraw/zinc/24/15/40/351241540.db2.gz FSZCPGFLIFEHMP-PWSUYJOCSA-N 1 0 234.368 3.046 10 0 BGAERO CC(C)[NH2+]C[C@@H](C)CCOCc1ccccc1 ZINC000306868798 397928078 /nfs/dbraw/zinc/92/80/78/397928078.db2.gz RPGMCVDUFMWIKQ-AWEZNQCLSA-N 1 0 235.371 3.227 10 0 BGAERO CC(C)[NH2+]C[C@H](C)CCOCc1ccccc1 ZINC000306868799 351256821 /nfs/dbraw/zinc/25/68/21/351256821.db2.gz RPGMCVDUFMWIKQ-CQSZACIVSA-N 1 0 235.371 3.227 10 0 BGAERO CC[C@@H](C[NH2+]Cc1ccccc1)C(C)C ZINC000306887891 372076579 /nfs/dbraw/zinc/07/65/79/372076579.db2.gz VEOREXHZRUNGBU-AWEZNQCLSA-N 1 0 205.345 3.458 10 0 BGAERO CC[C@H](C[NH2+]Cc1ccccc1)C(C)C ZINC000306887892 372076171 /nfs/dbraw/zinc/07/61/71/372076171.db2.gz VEOREXHZRUNGBU-CQSZACIVSA-N 1 0 205.345 3.458 10 0 BGAERO C[NH2+][C@H](C)c1nc(-c2ccsc2)cs1 ZINC000306890623 351298694 /nfs/dbraw/zinc/29/86/94/351298694.db2.gz VNSWIWBIJQVOJG-SSDOTTSWSA-N 1 0 224.354 3.152 10 0 BGAERO C[NH2+][C@@H](C)c1nc(-c2ccsc2)cs1 ZINC000306890624 351299118 /nfs/dbraw/zinc/29/91/18/351299118.db2.gz VNSWIWBIJQVOJG-ZETCQYMHSA-N 1 0 224.354 3.152 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1csc(Br)c1 ZINC000306895296 386530757 /nfs/dbraw/zinc/53/07/57/386530757.db2.gz MKZAFNLVCCSESN-MRVPVSSYSA-N 1 0 246.173 3.181 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1csc(Br)c1 ZINC000306895297 386529274 /nfs/dbraw/zinc/52/92/74/386529274.db2.gz MKZAFNLVCCSESN-QMMMGPOBSA-N 1 0 246.173 3.181 10 0 BGAERO CC(C)(C)[C@H]1CSC(NCc2ccccc2)=[NH+]1 ZINC000306900208 351312222 /nfs/dbraw/zinc/31/22/22/351312222.db2.gz LHNURJLCDWOTHF-GFCCVEGCSA-N 1 0 248.395 3.294 10 0 BGAERO CC(C)(C)[C@@H]1CSC(NCc2ccccc2)=[NH+]1 ZINC000306900289 351312513 /nfs/dbraw/zinc/31/25/13/351312513.db2.gz LHNURJLCDWOTHF-LBPRGKRZSA-N 1 0 248.395 3.294 10 0 BGAERO CC(C)C[C@H]([NH3+])c1c(Cl)cncc1Cl ZINC000306908147 351320211 /nfs/dbraw/zinc/32/02/11/351320211.db2.gz NXVVAXPGEXGBTJ-VIFPVBQESA-N 1 0 233.142 3.434 10 0 BGAERO Cc1sccc1-c1cc(C[NH3+])cs1 ZINC000306910972 351325544 /nfs/dbraw/zinc/32/55/44/351325544.db2.gz QFLMOXOUNGLXDG-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO C[C@@H]1Sc2cc(Cl)cc(Cl)c2[C@@H]1[NH3+] ZINC000306913108 351323533 /nfs/dbraw/zinc/32/35/33/351323533.db2.gz OJTUUAAPJODVFV-AJAUBTJJSA-N 1 0 234.151 3.487 10 0 BGAERO C[C@H]1Sc2cc(Cl)cc(Cl)c2[C@@H]1[NH3+] ZINC000306913109 351324073 /nfs/dbraw/zinc/32/40/73/351324073.db2.gz OJTUUAAPJODVFV-ALFREKQPSA-N 1 0 234.151 3.487 10 0 BGAERO C[C@@H]1Sc2cc(Cl)cc(Cl)c2[C@H]1[NH3+] ZINC000306913110 351323505 /nfs/dbraw/zinc/32/35/05/351323505.db2.gz OJTUUAAPJODVFV-IGJIYHIXSA-N 1 0 234.151 3.487 10 0 BGAERO C[C@H]1Sc2cc(Cl)cc(Cl)c2[C@H]1[NH3+] ZINC000306913111 351323874 /nfs/dbraw/zinc/32/38/74/351323874.db2.gz OJTUUAAPJODVFV-MOFOKWOHSA-N 1 0 234.151 3.487 10 0 BGAERO [NH3+]Cc1ccc(C2=CCCC2)c(Cl)c1 ZINC000306923444 372079221 /nfs/dbraw/zinc/07/92/21/372079221.db2.gz ACZLIPLCNVXPAA-UHFFFAOYSA-N 1 0 207.704 3.366 10 0 BGAERO CC1(C)C[C@@H]1c1csc(Cl)c1C[NH3+] ZINC000306940820 385657708 /nfs/dbraw/zinc/65/77/08/385657708.db2.gz CJIAELTUSWHYCF-MRVPVSSYSA-N 1 0 215.749 3.374 10 0 BGAERO CC1(C)C[C@H]1c1csc(Cl)c1C[NH3+] ZINC000306940821 385657240 /nfs/dbraw/zinc/65/72/40/385657240.db2.gz CJIAELTUSWHYCF-QMMMGPOBSA-N 1 0 215.749 3.374 10 0 BGAERO Cc1cc(-c2cc(C[NH3+])cs2)cs1 ZINC000306961293 351383893 /nfs/dbraw/zinc/38/38/93/351383893.db2.gz DWQYHTXGECGAII-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO Clc1cccc([C@@H]2CCCC[NH2+]C2)c1 ZINC000306966815 351385486 /nfs/dbraw/zinc/38/54/86/351385486.db2.gz FYSWMPJMAWOQDD-LLVKDONJSA-N 1 0 209.720 3.197 10 0 BGAERO Clc1cccc([C@H]2CCCC[NH2+]C2)c1 ZINC000306966826 351385694 /nfs/dbraw/zinc/38/56/94/351385694.db2.gz FYSWMPJMAWOQDD-NSHDSACASA-N 1 0 209.720 3.197 10 0 BGAERO Cc1oc(Br)cc1[C@H]([NH3+])C(C)C ZINC000306969409 351386724 /nfs/dbraw/zinc/38/67/24/351386724.db2.gz PNDGTYOLPJMDIW-SECBINFHSA-N 1 0 232.121 3.006 10 0 BGAERO Cc1oc(Br)cc1[C@@H]([NH3+])C(C)C ZINC000306969410 351386769 /nfs/dbraw/zinc/38/67/69/351386769.db2.gz PNDGTYOLPJMDIW-VIFPVBQESA-N 1 0 232.121 3.006 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1cc(Br)oc1C ZINC000306970973 351394610 /nfs/dbraw/zinc/39/46/10/351394610.db2.gz RQKZRHNAYYNFCS-SECBINFHSA-N 1 0 244.132 3.317 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1cc(Br)oc1C ZINC000306970974 351393540 /nfs/dbraw/zinc/39/35/40/351393540.db2.gz RQKZRHNAYYNFCS-VIFPVBQESA-N 1 0 244.132 3.317 10 0 BGAERO C[C@@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(Cl)c1 ZINC000306977311 351396287 /nfs/dbraw/zinc/39/62/87/351396287.db2.gz APDUBTLFORBYBT-KBVBSXBZSA-N 1 0 209.720 3.399 10 0 BGAERO C[NH2+][C@@H](c1sc(C)cc1C)C(C)(C)F ZINC000306988854 351405288 /nfs/dbraw/zinc/40/52/88/351405288.db2.gz RMZOCKWGOCBEQW-JTQLQIEISA-N 1 0 215.337 3.374 10 0 BGAERO C[NH2+][C@H](c1sc(C)cc1C)C(C)(C)F ZINC000306988855 351405006 /nfs/dbraw/zinc/40/50/06/351405006.db2.gz RMZOCKWGOCBEQW-SNVBAGLBSA-N 1 0 215.337 3.374 10 0 BGAERO CCC1([C@@H]([NH3+])c2cscn2)CCCC1 ZINC000306993728 351410878 /nfs/dbraw/zinc/41/08/78/351410878.db2.gz LLPBDQMSMZKIIY-JTQLQIEISA-N 1 0 210.346 3.113 10 0 BGAERO CCC1([C@H]([NH3+])c2cscn2)CCCC1 ZINC000306993729 351411090 /nfs/dbraw/zinc/41/10/90/351411090.db2.gz LLPBDQMSMZKIIY-SNVBAGLBSA-N 1 0 210.346 3.113 10 0 BGAERO C[C@H]1CC[NH2+][C@@](C)(CC(C)(C)C)S1 ZINC000306993777 351410924 /nfs/dbraw/zinc/41/09/24/351410924.db2.gz LPLMYFMFUDWRQW-GXSJLCMTSA-N 1 0 201.379 3.254 10 0 BGAERO C[C@@H]1CC[NH2+][C@](C)(CC(C)(C)C)S1 ZINC000306993778 351410932 /nfs/dbraw/zinc/41/09/32/351410932.db2.gz LPLMYFMFUDWRQW-KOLCDFICSA-N 1 0 201.379 3.254 10 0 BGAERO C[C@@H]1CC[NH2+][C@@](C)(CC(C)(C)C)S1 ZINC000306993779 351410775 /nfs/dbraw/zinc/41/07/75/351410775.db2.gz LPLMYFMFUDWRQW-MWLCHTKSSA-N 1 0 201.379 3.254 10 0 BGAERO C[C@H]1CC[NH2+][C@](C)(CC(C)(C)C)S1 ZINC000306993780 351410889 /nfs/dbraw/zinc/41/08/89/351410889.db2.gz LPLMYFMFUDWRQW-ONGXEEELSA-N 1 0 201.379 3.254 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc(Cl)nc1Cl ZINC000307000686 351411862 /nfs/dbraw/zinc/41/18/62/351411862.db2.gz BOGXOHSUGSPRSI-QMMMGPOBSA-N 1 0 233.142 3.434 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1cscc1Br ZINC000307001589 351413690 /nfs/dbraw/zinc/41/36/90/351413690.db2.gz CDIXEOHOKHTQRZ-MRVPVSSYSA-N 1 0 246.173 3.181 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1cscc1Br ZINC000307001590 351414236 /nfs/dbraw/zinc/41/42/36/351414236.db2.gz CDIXEOHOKHTQRZ-QMMMGPOBSA-N 1 0 246.173 3.181 10 0 BGAERO [NH3+][C@H]1CC/C(=C\c2csc(Cl)c2)C1 ZINC000307007593 351415698 /nfs/dbraw/zinc/41/56/98/351415698.db2.gz GIBYMQMFIOIJIA-HMVTZJNGSA-N 1 0 213.733 3.296 10 0 BGAERO [NH3+][C@@H]1CC/C(=C\c2csc(Cl)c2)C1 ZINC000307007596 351415409 /nfs/dbraw/zinc/41/54/09/351415409.db2.gz GIBYMQMFIOIJIA-XKEGTWDPSA-N 1 0 213.733 3.296 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@H]1c1cc(Cl)cs1 ZINC000307011969 351419472 /nfs/dbraw/zinc/41/94/72/351419472.db2.gz PGTPADLHQRNDQC-PSASIEDQSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@@H]1c1cc(Cl)cs1 ZINC000307011971 351419373 /nfs/dbraw/zinc/41/93/73/351419373.db2.gz PGTPADLHQRNDQC-SCZZXKLOSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@H]1c1cc(Cl)cs1 ZINC000307011974 351419504 /nfs/dbraw/zinc/41/95/04/351419504.db2.gz PGTPADLHQRNDQC-WCBMZHEXSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@@H]1c1cc(Cl)cs1 ZINC000307011975 351419318 /nfs/dbraw/zinc/41/93/18/351419318.db2.gz PGTPADLHQRNDQC-WPRPVWTQSA-N 1 0 215.749 3.318 10 0 BGAERO C[C@]1([C@H]([NH3+])c2ccc(Cl)s2)C[C@H]1F ZINC000307013321 351418218 /nfs/dbraw/zinc/41/82/18/351418218.db2.gz NORHGECCFWFIFE-VDAHYXPESA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@@H]([NH3+])c2ccc(Cl)s2)C[C@@H]1F ZINC000307013324 351418269 /nfs/dbraw/zinc/41/82/69/351418269.db2.gz NORHGECCFWFIFE-XVYDVKMFSA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@@H]([NH3+])c2ccc(Cl)s2)C[C@H]1F ZINC000307013326 351418226 /nfs/dbraw/zinc/41/82/26/351418226.db2.gz NORHGECCFWFIFE-YEPSODPASA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@H]([NH3+])c2ccc(Cl)s2)C[C@@H]1F ZINC000307013328 351418386 /nfs/dbraw/zinc/41/83/86/351418386.db2.gz NORHGECCFWFIFE-ZQARSLAVSA-N 1 0 219.712 3.149 10 0 BGAERO CC(C)C1CCC([C@H]([NH3+])C(F)F)CC1 ZINC000307016764 353049910 /nfs/dbraw/zinc/04/99/10/353049910.db2.gz PIPMIUCVQUUTJF-RTBKNWGFSA-N 1 0 205.292 3.041 10 0 BGAERO Nc1cc[nH+]c(Nc2ccsc2Cl)c1 ZINC000307021877 351430799 /nfs/dbraw/zinc/43/07/99/351430799.db2.gz ULSDUZXGJFWUMA-UHFFFAOYSA-N 1 0 225.704 3.122 10 0 BGAERO C[C@@H](CC(F)F)Nc1ccncc1Cl ZINC000307027751 397974291 /nfs/dbraw/zinc/97/42/91/397974291.db2.gz KFLMDPKQTLEJEQ-LURJTMIESA-N 1 0 220.650 3.191 10 0 BGAERO C[C@H](CC(F)F)Nc1ccncc1Cl ZINC000307027753 397974085 /nfs/dbraw/zinc/97/40/85/397974085.db2.gz KFLMDPKQTLEJEQ-ZCFIWIBFSA-N 1 0 220.650 3.191 10 0 BGAERO [NH3+]Cc1occc1-c1ccsc1Cl ZINC000307028812 351430609 /nfs/dbraw/zinc/43/06/09/351430609.db2.gz LFTQZVAYYLBOJI-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@@H]1c1sccc1Cl ZINC000307034468 351432542 /nfs/dbraw/zinc/43/25/42/351432542.db2.gz SRSBVPJUAQFHSU-APPZFPTMSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@@H]1c1sccc1Cl ZINC000307034470 351433146 /nfs/dbraw/zinc/43/31/46/351433146.db2.gz SRSBVPJUAQFHSU-CBAPKCEASA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@H]1c1sccc1Cl ZINC000307034471 351432637 /nfs/dbraw/zinc/43/26/37/351432637.db2.gz SRSBVPJUAQFHSU-IONNQARKSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@H]1c1sccc1Cl ZINC000307034472 351433022 /nfs/dbraw/zinc/43/30/22/351433022.db2.gz SRSBVPJUAQFHSU-VXNVDRBHSA-N 1 0 215.749 3.318 10 0 BGAERO CC(F)(F)[C@H](N)c1ccsc1Cl ZINC000307037991 351439898 /nfs/dbraw/zinc/43/98/98/351439898.db2.gz GNIRNKAJEJNBSI-RXMQYKEDSA-N 1 0 211.664 3.057 10 0 BGAERO CSC(C)(C)[C@H]([NH3+])C1CCCCCC1 ZINC000307043199 351444872 /nfs/dbraw/zinc/44/48/72/351444872.db2.gz UGNUDGTYMNGYJY-LLVKDONJSA-N 1 0 215.406 3.426 10 0 BGAERO CSC(C)(C)[C@@H]([NH3+])C1CCCCCC1 ZINC000307043201 351445165 /nfs/dbraw/zinc/44/51/65/351445165.db2.gz UGNUDGTYMNGYJY-NSHDSACASA-N 1 0 215.406 3.426 10 0 BGAERO C[C@H]([NH3+])/C=C/c1cc(Cl)sc1Cl ZINC000307048138 351447096 /nfs/dbraw/zinc/44/70/96/351447096.db2.gz PEIMGKGOSKHNQH-HRJJCQLASA-N 1 0 222.140 3.415 10 0 BGAERO C[C@@H]([NH3+])/C=C/c1cc(Cl)sc1Cl ZINC000307048139 351447438 /nfs/dbraw/zinc/44/74/38/351447438.db2.gz PEIMGKGOSKHNQH-WVSAJJKCSA-N 1 0 222.140 3.415 10 0 BGAERO CC1CCC(C[C@H]([NH3+])C(C)(F)F)CC1 ZINC000307050573 351447790 /nfs/dbraw/zinc/44/77/90/351447790.db2.gz LVXYCGXPFDYNMQ-RTBKNWGFSA-N 1 0 205.292 3.185 10 0 BGAERO CC1CCC(C[C@@H]([NH3+])C(C)(F)F)CC1 ZINC000307050574 351448021 /nfs/dbraw/zinc/44/80/21/351448021.db2.gz LVXYCGXPFDYNMQ-UDNWOFFPSA-N 1 0 205.292 3.185 10 0 BGAERO CC(C)[C@@H](CCOCc1ccccc1)[C@H](C)[NH3+] ZINC000307057265 351457434 /nfs/dbraw/zinc/45/74/34/351457434.db2.gz XVFWKUXCPFUJGY-DZGCQCFKSA-N 1 0 235.371 3.213 10 0 BGAERO CC(C)[C@H](CCOCc1ccccc1)[C@@H](C)[NH3+] ZINC000307057266 351456868 /nfs/dbraw/zinc/45/68/68/351456868.db2.gz XVFWKUXCPFUJGY-HIFRSBDPSA-N 1 0 235.371 3.213 10 0 BGAERO CC(C)[C@@H](CCOCc1ccccc1)[C@@H](C)[NH3+] ZINC000307057267 351457036 /nfs/dbraw/zinc/45/70/36/351457036.db2.gz XVFWKUXCPFUJGY-UKRRQHHQSA-N 1 0 235.371 3.213 10 0 BGAERO CC(C)[C@H](CCOCc1ccccc1)[C@H](C)[NH3+] ZINC000307057268 351457495 /nfs/dbraw/zinc/45/74/95/351457495.db2.gz XVFWKUXCPFUJGY-ZFWWWQNUSA-N 1 0 235.371 3.213 10 0 BGAERO [NH3+]CC1(Cc2csc(Cl)c2)CCCC1 ZINC000307060055 351457862 /nfs/dbraw/zinc/45/78/62/351457862.db2.gz CSXZAPZLDVLBQD-UHFFFAOYSA-N 1 0 229.776 3.463 10 0 BGAERO Cc1ccccc1NC(=[NH2+])NCc1ccccc1 ZINC000307070146 351463490 /nfs/dbraw/zinc/46/34/90/351463490.db2.gz VFXLFASUWCKRGP-UHFFFAOYSA-N 1 0 239.322 3.131 10 0 BGAERO C/C=C/C[NH2+]C(C)(C)COCc1ccccc1 ZINC000307072021 351466679 /nfs/dbraw/zinc/46/66/79/351466679.db2.gz YBZULWAFEMTZRX-SNAWJCMRSA-N 1 0 233.355 3.148 10 0 BGAERO Cc1cccc(Br)c1[C@@H]1CCC[NH2+]1 ZINC000307077459 351465772 /nfs/dbraw/zinc/46/57/72/351465772.db2.gz DJOVXGJNZRMCAS-JTQLQIEISA-N 1 0 240.144 3.182 10 0 BGAERO Cc1cccc(Br)c1[C@H]1CCC[NH2+]1 ZINC000307077460 351465781 /nfs/dbraw/zinc/46/57/81/351465781.db2.gz DJOVXGJNZRMCAS-SNVBAGLBSA-N 1 0 240.144 3.182 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000307081847 171040873 /nfs/dbraw/zinc/04/08/73/171040873.db2.gz AFNKQVLYHQUTOG-GMTAPVOTSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH2+][C@H]2CSC2(C)C)C1 ZINC000307081849 171042491 /nfs/dbraw/zinc/04/24/91/171042491.db2.gz AFNKQVLYHQUTOG-MXWKQRLJSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)C1 ZINC000307081850 171057183 /nfs/dbraw/zinc/05/71/83/171057183.db2.gz AFNKQVLYHQUTOG-OUAUKWLOSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@@H]1CC[C@H]([NH2+][C@H]2CSC2(C)C)C1 ZINC000307081851 171057940 /nfs/dbraw/zinc/05/79/40/171057940.db2.gz AFNKQVLYHQUTOG-VWYCJHECSA-N 1 0 213.390 3.049 10 0 BGAERO CSC(C)(C)[C@H]([NH3+])c1sccc1C ZINC000307084109 353053494 /nfs/dbraw/zinc/05/34/94/353053494.db2.gz VVMOMHZORJDGLX-SECBINFHSA-N 1 0 215.387 3.198 10 0 BGAERO CSC(C)(C)[C@@H]([NH3+])c1sccc1C ZINC000307084110 351474399 /nfs/dbraw/zinc/47/43/99/351474399.db2.gz VVMOMHZORJDGLX-VIFPVBQESA-N 1 0 215.387 3.198 10 0 BGAERO Clc1ccsc1C[C@H]1CCCCC[NH2+]1 ZINC000307090730 351474225 /nfs/dbraw/zinc/47/42/25/351474225.db2.gz WSPTUMDLJKBRFU-SECBINFHSA-N 1 0 229.776 3.476 10 0 BGAERO Clc1ccsc1C[C@@H]1CCCCC[NH2+]1 ZINC000307090732 351474451 /nfs/dbraw/zinc/47/44/51/351474451.db2.gz WSPTUMDLJKBRFU-VIFPVBQESA-N 1 0 229.776 3.476 10 0 BGAERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000307092166 351473356 /nfs/dbraw/zinc/47/33/56/351473356.db2.gz AGVLUPHXVPLYRZ-BXKDBHETSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000307092167 411465623 /nfs/dbraw/zinc/46/56/23/411465623.db2.gz AGVLUPHXVPLYRZ-CABZTGNLSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(Cl)cc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000307092168 411465550 /nfs/dbraw/zinc/46/55/50/411465550.db2.gz AGVLUPHXVPLYRZ-JOYOIKCWSA-N 1 0 209.720 3.146 10 0 BGAERO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000307092169 411465131 /nfs/dbraw/zinc/46/51/31/411465131.db2.gz AGVLUPHXVPLYRZ-SKDRFNHKSA-N 1 0 209.720 3.146 10 0 BGAERO [NH3+][C@H](c1ccoc1)c1ccsc1Cl ZINC000307108344 351483212 /nfs/dbraw/zinc/48/32/12/351483212.db2.gz JCRXUOUBPGPRHD-MRVPVSSYSA-N 1 0 213.689 3.043 10 0 BGAERO [NH3+][C@@H](c1ccoc1)c1ccsc1Cl ZINC000307108348 351483373 /nfs/dbraw/zinc/48/33/73/351483373.db2.gz JCRXUOUBPGPRHD-QMMMGPOBSA-N 1 0 213.689 3.043 10 0 BGAERO [NH3+][C@H]1CC[C@H](Cc2csc(Cl)c2)C1 ZINC000307126530 351491649 /nfs/dbraw/zinc/49/16/49/351491649.db2.gz BLXMZFKNEZDSEW-APPZFPTMSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CC[C@@H](Cc2csc(Cl)c2)C1 ZINC000307126531 351491434 /nfs/dbraw/zinc/49/14/34/351491434.db2.gz BLXMZFKNEZDSEW-CBAPKCEASA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](Cc2csc(Cl)c2)C1 ZINC000307126532 351491580 /nfs/dbraw/zinc/49/15/80/351491580.db2.gz BLXMZFKNEZDSEW-IONNQARKSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CC[C@H](Cc2csc(Cl)c2)C1 ZINC000307126533 351491463 /nfs/dbraw/zinc/49/14/63/351491463.db2.gz BLXMZFKNEZDSEW-VXNVDRBHSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@H]1CN[C@@H](c2sccc2Cl)SC1 ZINC000307127773 385927536 /nfs/dbraw/zinc/92/75/36/385927536.db2.gz CNVBTAMDVLGXRM-HZGVNTEJSA-N 1 0 233.789 3.373 10 0 BGAERO C[C@H]1CN[C@@H](c2sccc2Cl)SC1 ZINC000307127775 385928154 /nfs/dbraw/zinc/92/81/54/385928154.db2.gz CNVBTAMDVLGXRM-IMTBSYHQSA-N 1 0 233.789 3.373 10 0 BGAERO C[C@@H]1CN[C@H](c2sccc2Cl)SC1 ZINC000307127777 385927349 /nfs/dbraw/zinc/92/73/49/385927349.db2.gz CNVBTAMDVLGXRM-MUWHJKNJSA-N 1 0 233.789 3.373 10 0 BGAERO C[C@H]1CN[C@H](c2sccc2Cl)SC1 ZINC000307127779 385928631 /nfs/dbraw/zinc/92/86/31/385928631.db2.gz CNVBTAMDVLGXRM-RCOVLWMOSA-N 1 0 233.789 3.373 10 0 BGAERO C[C@H]1CCS[C@](C)(CC(C)(C)C)[NH2+]1 ZINC000307128281 353056509 /nfs/dbraw/zinc/05/65/09/353056509.db2.gz DCFVHRWVEXLVFO-GXSJLCMTSA-N 1 0 201.379 3.254 10 0 BGAERO CC[C@]1(C)C[NH2+][C@@H]1c1sccc1Cl ZINC000307128833 351492735 /nfs/dbraw/zinc/49/27/35/351492735.db2.gz DPYDXSGTJOOVTA-NXEZZACHSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@H]1c1sccc1Cl ZINC000307129047 351492815 /nfs/dbraw/zinc/49/28/15/351492815.db2.gz DPYDXSGTJOOVTA-UWVGGRQHSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@]1(C)C[NH2+][C@H]1c1sccc1Cl ZINC000307129048 351492906 /nfs/dbraw/zinc/49/29/06/351492906.db2.gz DPYDXSGTJOOVTA-VHSXEESVSA-N 1 0 215.749 3.462 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@@H]1c1sccc1Cl ZINC000307129049 351492898 /nfs/dbraw/zinc/49/28/98/351492898.db2.gz DPYDXSGTJOOVTA-ZJUUUORDSA-N 1 0 215.749 3.462 10 0 BGAERO C[NH2+][C@H](c1sccc1C)C(C)(C)F ZINC000307137895 351494089 /nfs/dbraw/zinc/49/40/89/351494089.db2.gz YJHPKBCVNOTRHZ-SECBINFHSA-N 1 0 201.310 3.065 10 0 BGAERO C[NH2+][C@@H](c1sccc1C)C(C)(C)F ZINC000307137896 351494148 /nfs/dbraw/zinc/49/41/48/351494148.db2.gz YJHPKBCVNOTRHZ-VIFPVBQESA-N 1 0 201.310 3.065 10 0 BGAERO Clc1cc(Cl)cc(SC2C[NH2+]C2)c1 ZINC000307138887 351495450 /nfs/dbraw/zinc/49/54/50/351495450.db2.gz CFVYCDUBKJOFIQ-UHFFFAOYSA-N 1 0 234.151 3.057 10 0 BGAERO Cc1ccc([C@H]([NH3+])CC(C)(F)F)s1 ZINC000307142827 397988292 /nfs/dbraw/zinc/98/82/92/397988292.db2.gz FCSDXYCMXSPMOO-SSDOTTSWSA-N 1 0 205.273 3.102 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CC(C)(F)F)s1 ZINC000307142828 397988423 /nfs/dbraw/zinc/98/84/23/397988423.db2.gz FCSDXYCMXSPMOO-ZETCQYMHSA-N 1 0 205.273 3.102 10 0 BGAERO C[C@H]([C@H]1[NH2+]CC[C@@H](C)S1)C(C)(C)C ZINC000307147320 351500347 /nfs/dbraw/zinc/50/03/47/351500347.db2.gz HSTXQEPPFFRZST-BBBLOLIVSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@@H]([C@@H]1[NH2+]CC[C@@H](C)S1)C(C)(C)C ZINC000307147321 351500338 /nfs/dbraw/zinc/50/03/38/351500338.db2.gz HSTXQEPPFFRZST-KXUCPTDWSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@H]([C@@H]1[NH2+]CC[C@@H](C)S1)C(C)(C)C ZINC000307147322 351500529 /nfs/dbraw/zinc/50/05/29/351500529.db2.gz HSTXQEPPFFRZST-OPRDCNLKSA-N 1 0 201.379 3.110 10 0 BGAERO C[C@@H]([C@H]1[NH2+]CC[C@@H](C)S1)C(C)(C)C ZINC000307147323 351500472 /nfs/dbraw/zinc/50/04/72/351500472.db2.gz HSTXQEPPFFRZST-UTLUCORTSA-N 1 0 201.379 3.110 10 0 BGAERO CC(C)(C)[C@H]1C[NH+]=C(NCc2ccccc2)S1 ZINC000307151907 351506113 /nfs/dbraw/zinc/50/61/13/351506113.db2.gz FVVZJXVNUOFFKR-GFCCVEGCSA-N 1 0 248.395 3.294 10 0 BGAERO CC(C)(C)[C@@H]1C[NH+]=C(NCc2ccccc2)S1 ZINC000307151910 351505907 /nfs/dbraw/zinc/50/59/07/351505907.db2.gz FVVZJXVNUOFFKR-LBPRGKRZSA-N 1 0 248.395 3.294 10 0 BGAERO C[C@@H](C[N@H+](C)Cc1ccccc1)n1cccc1 ZINC000307153723 351506657 /nfs/dbraw/zinc/50/66/57/351506657.db2.gz CZNQEVHPLULXNE-AWEZNQCLSA-N 1 0 228.339 3.181 10 0 BGAERO C[C@H](C[N@H+](C)Cc1ccccc1)n1cccc1 ZINC000307153724 351506780 /nfs/dbraw/zinc/50/67/80/351506780.db2.gz CZNQEVHPLULXNE-CQSZACIVSA-N 1 0 228.339 3.181 10 0 BGAERO Cc1csc([C@@H]([NH3+])c2ccsc2)c1 ZINC000307155878 353057789 /nfs/dbraw/zinc/05/77/89/353057789.db2.gz MSYOTMXUTYSKRP-JTQLQIEISA-N 1 0 209.339 3.166 10 0 BGAERO F[C@H](c1ccsc1Cl)[C@H]1CCC[NH2+]1 ZINC000307157896 385965875 /nfs/dbraw/zinc/96/58/75/385965875.db2.gz RJHLJBRSZLYNAD-HTQZYQBOSA-N 1 0 219.712 3.164 10 0 BGAERO F[C@H](c1ccsc1Cl)[C@@H]1CCC[NH2+]1 ZINC000307157897 385967074 /nfs/dbraw/zinc/96/70/74/385967074.db2.gz RJHLJBRSZLYNAD-JGVFFNPUSA-N 1 0 219.712 3.164 10 0 BGAERO F[C@@H](c1ccsc1Cl)[C@H]1CCC[NH2+]1 ZINC000307157898 351508798 /nfs/dbraw/zinc/50/87/98/351508798.db2.gz RJHLJBRSZLYNAD-SFYZADRCSA-N 1 0 219.712 3.164 10 0 BGAERO F[C@@H](c1ccsc1Cl)[C@@H]1CCC[NH2+]1 ZINC000307157899 351508906 /nfs/dbraw/zinc/50/89/06/351508906.db2.gz RJHLJBRSZLYNAD-YUMQZZPRSA-N 1 0 219.712 3.164 10 0 BGAERO CC[C@@]1(C2CCCC2)[NH2+][C@@H](C)CCS1 ZINC000307166838 351537947 /nfs/dbraw/zinc/53/79/47/351537947.db2.gz QCQQDZKWCSYGCO-CMPLNLGQSA-N 1 0 213.390 3.398 10 0 BGAERO CC[C@]1(C2CCCC2)[NH2+][C@@H](C)CCS1 ZINC000307166839 351538217 /nfs/dbraw/zinc/53/82/17/351538217.db2.gz QCQQDZKWCSYGCO-JQWIXIFHSA-N 1 0 213.390 3.398 10 0 BGAERO CC[C@]1(C2CCCC2)[NH2+][C@H](C)CCS1 ZINC000307166840 351538253 /nfs/dbraw/zinc/53/82/53/351538253.db2.gz QCQQDZKWCSYGCO-PWSUYJOCSA-N 1 0 213.390 3.398 10 0 BGAERO CC[C@@]1(C2CCCC2)[NH2+][C@H](C)CCS1 ZINC000307166841 351538227 /nfs/dbraw/zinc/53/82/27/351538227.db2.gz QCQQDZKWCSYGCO-ZYHUDNBSSA-N 1 0 213.390 3.398 10 0 BGAERO CC[C@@]1(C2CCCC2)[NH2+]C[C@H](C)CS1 ZINC000307168823 351542557 /nfs/dbraw/zinc/54/25/57/351542557.db2.gz WARTUDDROIKNRG-CMPLNLGQSA-N 1 0 213.390 3.255 10 0 BGAERO CC[C@]1(C2CCCC2)[NH2+]C[C@H](C)CS1 ZINC000307168824 351542623 /nfs/dbraw/zinc/54/26/23/351542623.db2.gz WARTUDDROIKNRG-JQWIXIFHSA-N 1 0 213.390 3.255 10 0 BGAERO CC[C@]1(C2CCCC2)[NH2+]C[C@@H](C)CS1 ZINC000307168825 351542301 /nfs/dbraw/zinc/54/23/01/351542301.db2.gz WARTUDDROIKNRG-PWSUYJOCSA-N 1 0 213.390 3.255 10 0 BGAERO CC[C@@]1(C2CCCC2)[NH2+]C[C@@H](C)CS1 ZINC000307168826 351542434 /nfs/dbraw/zinc/54/24/34/351542434.db2.gz WARTUDDROIKNRG-ZYHUDNBSSA-N 1 0 213.390 3.255 10 0 BGAERO Cc1csc([C@@H]([NH3+])Cc2ccsc2)c1 ZINC000307169438 351544930 /nfs/dbraw/zinc/54/49/30/351544930.db2.gz YFVJAERYASIYDE-JTQLQIEISA-N 1 0 223.366 3.361 10 0 BGAERO Cc1csc([C@H]([NH3+])Cc2ccsc2)c1 ZINC000307169439 351544195 /nfs/dbraw/zinc/54/41/95/351544195.db2.gz YFVJAERYASIYDE-SNVBAGLBSA-N 1 0 223.366 3.361 10 0 BGAERO CC1(C)CS[C@@]2(CCCC23CCC3)[NH2+]1 ZINC000307169742 351544935 /nfs/dbraw/zinc/54/49/35/351544935.db2.gz YZJWXMIXTVKLMH-GFCCVEGCSA-N 1 0 211.374 3.152 10 0 BGAERO CC1(C)CS[C@]2(CCCC23CCC3)[NH2+]1 ZINC000307169743 351544388 /nfs/dbraw/zinc/54/43/88/351544388.db2.gz YZJWXMIXTVKLMH-LBPRGKRZSA-N 1 0 211.374 3.152 10 0 BGAERO C[C@@H]1C[NH2+][C@]2(CCCC23CCC3)SC1 ZINC000307170004 353059419 /nfs/dbraw/zinc/05/94/19/353059419.db2.gz ZORHBLCZJCLUKQ-ZYHUDNBSSA-N 1 0 211.374 3.009 10 0 BGAERO CC(C)[C@@H]1C[NH+]=C(NCc2ccccc2)SC1 ZINC000307170649 351546643 /nfs/dbraw/zinc/54/66/43/351546643.db2.gz BANOQIBANOKFAA-CYBMUJFWSA-N 1 0 248.395 3.151 10 0 BGAERO CC(C)[C@H]1C[NH+]=C(NCc2ccccc2)SC1 ZINC000307170650 351546435 /nfs/dbraw/zinc/54/64/35/351546435.db2.gz BANOQIBANOKFAA-ZDUSSCGKSA-N 1 0 248.395 3.151 10 0 BGAERO Clc1ccsc1C=C1CC[NH2+]CC1 ZINC000307192286 351593563 /nfs/dbraw/zinc/59/35/63/351593563.db2.gz CLLLVZNWZUNUTR-UHFFFAOYSA-N 1 0 213.733 3.168 10 0 BGAERO Cc1cc([C@@H](C)[NH2+][C@@H]2C[C@H]2C)c(C)s1 ZINC000307193376 351594552 /nfs/dbraw/zinc/59/45/52/351594552.db2.gz GGWGLNMZOVRYRJ-JWKOBGCHSA-N 1 0 209.358 3.424 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1c(Cl)cncc1Cl ZINC000307196129 353060522 /nfs/dbraw/zinc/06/05/22/353060522.db2.gz NXVVAXPGEXGBTJ-SECBINFHSA-N 1 0 233.142 3.434 10 0 BGAERO CSC(C)(C)[C@H]([NH3+])c1ccc(C)s1 ZINC000307208079 351609357 /nfs/dbraw/zinc/60/93/57/351609357.db2.gz JDCHMUMIKDPDLP-SECBINFHSA-N 1 0 215.387 3.198 10 0 BGAERO CSC(C)(C)[C@@H]([NH3+])c1ccc(C)s1 ZINC000307208087 351609315 /nfs/dbraw/zinc/60/93/15/351609315.db2.gz JDCHMUMIKDPDLP-VIFPVBQESA-N 1 0 215.387 3.198 10 0 BGAERO C[NH2+][C@@H](C)[C@@H](C)CCCOCc1ccccc1 ZINC000307213501 351613381 /nfs/dbraw/zinc/61/33/81/351613381.db2.gz XVBWKXCPODOTON-KBPBESRZSA-N 1 0 235.371 3.227 10 0 BGAERO C[NH2+][C@@H](C)[C@H](C)CCCOCc1ccccc1 ZINC000307213502 351613906 /nfs/dbraw/zinc/61/39/06/351613906.db2.gz XVBWKXCPODOTON-KGLIPLIRSA-N 1 0 235.371 3.227 10 0 BGAERO C[NH2+][C@H](C)[C@@H](C)CCCOCc1ccccc1 ZINC000307213503 351613450 /nfs/dbraw/zinc/61/34/50/351613450.db2.gz XVBWKXCPODOTON-UONOGXRCSA-N 1 0 235.371 3.227 10 0 BGAERO C[NH2+][C@H](C)[C@H](C)CCCOCc1ccccc1 ZINC000307213504 351613423 /nfs/dbraw/zinc/61/34/23/351613423.db2.gz XVBWKXCPODOTON-ZIAGYGMSSA-N 1 0 235.371 3.227 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@H]1C)c1cccs1 ZINC000307214183 386293622 /nfs/dbraw/zinc/29/36/22/386293622.db2.gz RIFJTIMRLFCOCB-CHWFTXMASA-N 1 0 209.358 3.443 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@@H](C)[C@@H]1C)c1cccs1 ZINC000307214187 386292752 /nfs/dbraw/zinc/29/27/52/386292752.db2.gz RIFJTIMRLFCOCB-VPOLOUISSA-N 1 0 209.358 3.443 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@@H]1C)c1cccs1 ZINC000307214189 386293683 /nfs/dbraw/zinc/29/36/83/386293683.db2.gz RIFJTIMRLFCOCB-XWLWVQCSSA-N 1 0 209.358 3.443 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H](C)[C@H]1C)c1cccs1 ZINC000307214190 386293110 /nfs/dbraw/zinc/29/31/10/386293110.db2.gz RIFJTIMRLFCOCB-ZRUFSTJUSA-N 1 0 209.358 3.443 10 0 BGAERO CC1([NH2+]Cc2coc(Br)c2)CCC1 ZINC000307216321 351615598 /nfs/dbraw/zinc/61/55/98/351615598.db2.gz BRZFVTUPTVGAII-UHFFFAOYSA-N 1 0 244.132 3.074 10 0 BGAERO CC[C@]1(C)C[NH2+][C@@H]1c1ccc(Br)o1 ZINC000307217573 372097033 /nfs/dbraw/zinc/09/70/33/372097033.db2.gz GAOTUOHIXUWROH-NXEZZACHSA-N 1 0 244.132 3.103 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@H]1c1ccc(Br)o1 ZINC000307217575 372096806 /nfs/dbraw/zinc/09/68/06/372096806.db2.gz GAOTUOHIXUWROH-UWVGGRQHSA-N 1 0 244.132 3.103 10 0 BGAERO CC[C@]1(C)C[NH2+][C@H]1c1ccc(Br)o1 ZINC000307217577 372097617 /nfs/dbraw/zinc/09/76/17/372097617.db2.gz GAOTUOHIXUWROH-VHSXEESVSA-N 1 0 244.132 3.103 10 0 BGAERO CC[C@@]1(C)C[NH2+][C@@H]1c1ccc(Br)o1 ZINC000307217582 372097845 /nfs/dbraw/zinc/09/78/45/372097845.db2.gz GAOTUOHIXUWROH-ZJUUUORDSA-N 1 0 244.132 3.103 10 0 BGAERO CC[C@@H](C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000307222620 537921413 /nfs/dbraw/zinc/92/14/13/537921413.db2.gz ZADIUXUXLPVLTA-BXKDBHETSA-N 1 0 209.358 3.155 10 0 BGAERO CC[C@H](C)[C@]1(C)[NH2+]CCc2sccc21 ZINC000307222622 537921330 /nfs/dbraw/zinc/92/13/30/537921330.db2.gz ZADIUXUXLPVLTA-CABZTGNLSA-N 1 0 209.358 3.155 10 0 BGAERO CC[C@H](C)[C@@]1(C)[NH2+]CCc2sccc21 ZINC000307222623 537921357 /nfs/dbraw/zinc/92/13/57/537921357.db2.gz ZADIUXUXLPVLTA-JOYOIKCWSA-N 1 0 209.358 3.155 10 0 BGAERO CC[C@@H](C)[C@]1(C)[NH2+]CCc2sccc21 ZINC000307222625 537921348 /nfs/dbraw/zinc/92/13/48/537921348.db2.gz ZADIUXUXLPVLTA-SKDRFNHKSA-N 1 0 209.358 3.155 10 0 BGAERO Cc1cc(Br)ccc1/C=C/[C@@H](C)[NH3+] ZINC000307236646 351723517 /nfs/dbraw/zinc/72/35/17/351723517.db2.gz NUOIJQRUWGKYSI-CDAZIORVSA-N 1 0 240.144 3.118 10 0 BGAERO Cc1cc(Br)ccc1/C=C/[C@H](C)[NH3+] ZINC000307236647 351723588 /nfs/dbraw/zinc/72/35/88/351723588.db2.gz NUOIJQRUWGKYSI-NWALNABHSA-N 1 0 240.144 3.118 10 0 BGAERO C[C@H]1C[NH2+][C@]2(CCCC23CCCC3)S1 ZINC000307244679 351750711 /nfs/dbraw/zinc/75/07/11/351750711.db2.gz LMNDYUMZXWFMCU-CMPLNLGQSA-N 1 0 211.374 3.152 10 0 BGAERO C[C@H]1C[NH2+][C@@]2(CCCC23CCCC3)S1 ZINC000307244681 351750592 /nfs/dbraw/zinc/75/05/92/351750592.db2.gz LMNDYUMZXWFMCU-JQWIXIFHSA-N 1 0 211.374 3.152 10 0 BGAERO C[C@@H]1C[NH2+][C@@]2(CCCC23CCCC3)S1 ZINC000307244682 351750707 /nfs/dbraw/zinc/75/07/07/351750707.db2.gz LMNDYUMZXWFMCU-PWSUYJOCSA-N 1 0 211.374 3.152 10 0 BGAERO C[C@@H]1C[NH2+][C@]2(CCCC23CCCC3)S1 ZINC000307244684 351750835 /nfs/dbraw/zinc/75/08/35/351750835.db2.gz LMNDYUMZXWFMCU-ZYHUDNBSSA-N 1 0 211.374 3.152 10 0 BGAERO C[C@H]([NH3+])c1cnc([C@H]2CCC[C@@H]2C)s1 ZINC000307249105 351755003 /nfs/dbraw/zinc/75/50/03/351755003.db2.gz OACXYDLUDDCBRO-CIUDSAMLSA-N 1 0 210.346 3.066 10 0 BGAERO C[C@H]([NH3+])c1cnc([C@@H]2CCC[C@H]2C)s1 ZINC000307249106 351755034 /nfs/dbraw/zinc/75/50/34/351755034.db2.gz OACXYDLUDDCBRO-HRDYMLBCSA-N 1 0 210.346 3.066 10 0 BGAERO C[C@H]([NH3+])c1cnc([C@H]2CCC[C@H]2C)s1 ZINC000307249107 351754693 /nfs/dbraw/zinc/75/46/93/351754693.db2.gz OACXYDLUDDCBRO-VGMNWLOBSA-N 1 0 210.346 3.066 10 0 BGAERO C[C@H]([NH3+])c1cnc([C@@H]2CCC[C@@H]2C)s1 ZINC000307249108 351754991 /nfs/dbraw/zinc/75/49/91/351754991.db2.gz OACXYDLUDDCBRO-XHNCKOQMSA-N 1 0 210.346 3.066 10 0 BGAERO CC(C)(C)C[C@]1(C)[NH2+]C(C)(C)CS1 ZINC000307250761 351770486 /nfs/dbraw/zinc/77/04/86/351770486.db2.gz PVOFGQLZCRNJON-LLVKDONJSA-N 1 0 201.379 3.254 10 0 BGAERO CC(C)(C)C[C@@]1(C)[NH2+]C(C)(C)CS1 ZINC000307250762 351770582 /nfs/dbraw/zinc/77/05/82/351770582.db2.gz PVOFGQLZCRNJON-NSHDSACASA-N 1 0 201.379 3.254 10 0 BGAERO C[C@@]1(Cc2ccsc2Cl)CCC[NH2+]1 ZINC000307251144 351770291 /nfs/dbraw/zinc/77/02/91/351770291.db2.gz NHVUXTRYLJAYCI-JTQLQIEISA-N 1 0 215.749 3.086 10 0 BGAERO C[C@]1(Cc2ccsc2Cl)CCC[NH2+]1 ZINC000307251145 351770585 /nfs/dbraw/zinc/77/05/85/351770585.db2.gz NHVUXTRYLJAYCI-SNVBAGLBSA-N 1 0 215.749 3.086 10 0 BGAERO CC[C@@H]1CS[C@H](c2ccsc2C)[NH2+]1 ZINC000307268362 351815015 /nfs/dbraw/zinc/81/50/15/351815015.db2.gz KILUZCLIIJBIHJ-PSASIEDQSA-N 1 0 213.371 3.170 10 0 BGAERO CC[C@@H]1CS[C@@H](c2ccsc2C)[NH2+]1 ZINC000307268363 351814987 /nfs/dbraw/zinc/81/49/87/351814987.db2.gz KILUZCLIIJBIHJ-SCZZXKLOSA-N 1 0 213.371 3.170 10 0 BGAERO CC[C@H]1CS[C@H](c2ccsc2C)[NH2+]1 ZINC000307268364 351814845 /nfs/dbraw/zinc/81/48/45/351814845.db2.gz KILUZCLIIJBIHJ-WCBMZHEXSA-N 1 0 213.371 3.170 10 0 BGAERO CC[C@H]1CS[C@@H](c2ccsc2C)[NH2+]1 ZINC000307268365 351814856 /nfs/dbraw/zinc/81/48/56/351814856.db2.gz KILUZCLIIJBIHJ-WPRPVWTQSA-N 1 0 213.371 3.170 10 0 BGAERO CC(C)[C@]1(C)CSC(NCc2ccccc2)=[NH+]1 ZINC000307270947 351823675 /nfs/dbraw/zinc/82/36/75/351823675.db2.gz NKFQSJMPAVGHLD-AWEZNQCLSA-N 1 0 248.395 3.294 10 0 BGAERO CC(C)[C@@]1(C)CSC(NCc2ccccc2)=[NH+]1 ZINC000307270948 351823722 /nfs/dbraw/zinc/82/37/22/351823722.db2.gz NKFQSJMPAVGHLD-CQSZACIVSA-N 1 0 248.395 3.294 10 0 BGAERO C/C(=C\c1csc(Cl)c1)[C@@H](C)[NH3+] ZINC000307281403 351845931 /nfs/dbraw/zinc/84/59/31/351845931.db2.gz CGIBEXVVMCIQBN-XUTFHDRNSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C\c1csc(Cl)c1)[C@H](C)[NH3+] ZINC000307281404 386816975 /nfs/dbraw/zinc/81/69/75/386816975.db2.gz CGIBEXVVMCIQBN-ZAXDUSRUSA-N 1 0 201.722 3.152 10 0 BGAERO Clc1ccc([C@@H]2C=CC[NH2+]2)cc1Cl ZINC000307283234 351848017 /nfs/dbraw/zinc/84/80/17/351848017.db2.gz IBOZJOFSNIXFDL-JTQLQIEISA-N 1 0 214.095 3.194 10 0 BGAERO Clc1ccc([C@H]2C=CC[NH2+]2)cc1Cl ZINC000307283236 351848195 /nfs/dbraw/zinc/84/81/95/351848195.db2.gz IBOZJOFSNIXFDL-SNVBAGLBSA-N 1 0 214.095 3.194 10 0 BGAERO CCCC(C)(C)[NH2+]CCOCc1ccccc1 ZINC000307289190 351855130 /nfs/dbraw/zinc/85/51/30/351855130.db2.gz FLHMENMYEHEWOZ-UHFFFAOYSA-N 1 0 235.371 3.372 10 0 BGAERO [NH3+][C@H](c1ccoc1)c1csc(Cl)c1 ZINC000307289812 351858613 /nfs/dbraw/zinc/85/86/13/351858613.db2.gz ZKLGTKDHNOOCJH-SECBINFHSA-N 1 0 213.689 3.043 10 0 BGAERO [NH3+][C@@H](c1ccoc1)c1csc(Cl)c1 ZINC000307289813 351857924 /nfs/dbraw/zinc/85/79/24/351857924.db2.gz ZKLGTKDHNOOCJH-VIFPVBQESA-N 1 0 213.689 3.043 10 0 BGAERO Cc1cc(/C=C/[C@H]2CCCC[NH2+]2)cs1 ZINC000307290192 351859090 /nfs/dbraw/zinc/85/90/90/351859090.db2.gz BHHLWOPISNJGSR-BTDICHCPSA-N 1 0 207.342 3.212 10 0 BGAERO Cc1cc(/C=C/[C@@H]2CCCC[NH2+]2)cs1 ZINC000307290196 351858785 /nfs/dbraw/zinc/85/87/85/351858785.db2.gz BHHLWOPISNJGSR-FYJFLYSWSA-N 1 0 207.342 3.212 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](Cc2sccc2Cl)C1 ZINC000307299438 351916902 /nfs/dbraw/zinc/91/69/02/351916902.db2.gz YUGMLHCXFBRAPT-HTQZYQBOSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CC[C@H](Cc2sccc2Cl)C1 ZINC000307299439 351916856 /nfs/dbraw/zinc/91/68/56/351916856.db2.gz YUGMLHCXFBRAPT-JGVFFNPUSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CC[C@@H](Cc2sccc2Cl)C1 ZINC000307299440 351916509 /nfs/dbraw/zinc/91/65/09/351916509.db2.gz YUGMLHCXFBRAPT-SFYZADRCSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CC[C@H](Cc2sccc2Cl)C1 ZINC000307299441 351916926 /nfs/dbraw/zinc/91/69/26/351916926.db2.gz YUGMLHCXFBRAPT-YUMQZZPRSA-N 1 0 215.749 3.071 10 0 BGAERO Cc1sccc1[C@@H]1[NH2+]C(C)(C)CS1 ZINC000307306296 351932649 /nfs/dbraw/zinc/93/26/49/351932649.db2.gz JPHOWGPVJIJNMD-SECBINFHSA-N 1 0 213.371 3.170 10 0 BGAERO Cc1sccc1[C@H]1[NH2+]C(C)(C)CS1 ZINC000307306298 351932930 /nfs/dbraw/zinc/93/29/30/351932930.db2.gz JPHOWGPVJIJNMD-VIFPVBQESA-N 1 0 213.371 3.170 10 0 BGAERO CC(C)(CC[NH3+])CCCOCc1ccccc1 ZINC000307310159 351952553 /nfs/dbraw/zinc/95/25/53/351952553.db2.gz FOSNIZCDNYXPHT-UHFFFAOYSA-N 1 0 235.371 3.358 10 0 BGAERO C[C@@]1(c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000307312185 385843440 /nfs/dbraw/zinc/84/34/40/385843440.db2.gz GHJPVSFSFOZUHD-JTQLQIEISA-N 1 0 216.111 3.202 10 0 BGAERO C[C@]1(c2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000307312197 385844059 /nfs/dbraw/zinc/84/40/59/385844059.db2.gz GHJPVSFSFOZUHD-SNVBAGLBSA-N 1 0 216.111 3.202 10 0 BGAERO CC1=C(c2ccccc2Cl)C[NH2+]CC1 ZINC000307312719 353068409 /nfs/dbraw/zinc/06/84/09/353068409.db2.gz SLJDOCCCLYRCCT-UHFFFAOYSA-N 1 0 207.704 3.107 10 0 BGAERO CC[C@@H]1CS[C@H](c2csc(C)c2)[NH2+]1 ZINC000307321836 352016057 /nfs/dbraw/zinc/01/60/57/352016057.db2.gz XFLYEEPANMZXAV-NXEZZACHSA-N 1 0 213.371 3.170 10 0 BGAERO CC[C@H]1CS[C@@H](c2csc(C)c2)[NH2+]1 ZINC000307321837 352016223 /nfs/dbraw/zinc/01/62/23/352016223.db2.gz XFLYEEPANMZXAV-UWVGGRQHSA-N 1 0 213.371 3.170 10 0 BGAERO CC[C@H]1CS[C@H](c2csc(C)c2)[NH2+]1 ZINC000307321838 352015948 /nfs/dbraw/zinc/01/59/48/352015948.db2.gz XFLYEEPANMZXAV-VHSXEESVSA-N 1 0 213.371 3.170 10 0 BGAERO CC[C@@H]1CS[C@@H](c2csc(C)c2)[NH2+]1 ZINC000307321839 352016130 /nfs/dbraw/zinc/01/61/30/352016130.db2.gz XFLYEEPANMZXAV-ZJUUUORDSA-N 1 0 213.371 3.170 10 0 BGAERO Clc1cccc([C@H]2C=CC[NH2+]2)c1Cl ZINC000307323602 352019034 /nfs/dbraw/zinc/01/90/34/352019034.db2.gz RMIUAPHYYWQTEQ-SECBINFHSA-N 1 0 214.095 3.194 10 0 BGAERO Clc1cccc([C@@H]2C=CC[NH2+]2)c1Cl ZINC000307323604 352018949 /nfs/dbraw/zinc/01/89/49/352018949.db2.gz RMIUAPHYYWQTEQ-VIFPVBQESA-N 1 0 214.095 3.194 10 0 BGAERO C[NH2+][C@H](C)c1cscc1C(F)(F)F ZINC000307324850 372111279 /nfs/dbraw/zinc/11/12/79/372111279.db2.gz LDDGZQNEPJJIBV-RXMQYKEDSA-N 1 0 209.236 3.047 10 0 BGAERO C[NH2+][C@@H](C)c1cscc1C(F)(F)F ZINC000307324851 352020785 /nfs/dbraw/zinc/02/07/85/352020785.db2.gz LDDGZQNEPJJIBV-YFKPBYRVSA-N 1 0 209.236 3.047 10 0 BGAERO C[C@H]([NH2+]C1CSC1)c1ccc(Cl)s1 ZINC000307325875 490659152 /nfs/dbraw/zinc/65/91/52/490659152.db2.gz SXCCGZYKDJCYRB-LURJTMIESA-N 1 0 233.789 3.168 10 0 BGAERO C[C@@H]([NH2+]C1CSC1)c1ccc(Cl)s1 ZINC000307325877 490659404 /nfs/dbraw/zinc/65/94/04/490659404.db2.gz SXCCGZYKDJCYRB-ZCFIWIBFSA-N 1 0 233.789 3.168 10 0 BGAERO C/C(=C\c1csc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000307335272 398078517 /nfs/dbraw/zinc/07/85/17/398078517.db2.gz BEASXVSPEBKLRY-BIPYJSMBSA-N 1 0 207.342 3.069 10 0 BGAERO C/C(=C\c1csc(C)c1)[C@H]1CC[NH2+]C1 ZINC000307335273 398079131 /nfs/dbraw/zinc/07/91/31/398079131.db2.gz BEASXVSPEBKLRY-LHXVZLOVSA-N 1 0 207.342 3.069 10 0 BGAERO [NH3+]Cc1ccc(-c2ccsc2Cl)o1 ZINC000307337532 352056461 /nfs/dbraw/zinc/05/64/61/352056461.db2.gz PEMDZLIESXKJLP-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO [NH3+][C@H](c1ccsc1Cl)[C@H]1CCCS1 ZINC000307339127 353069490 /nfs/dbraw/zinc/06/94/90/353069490.db2.gz RIKXHLCWTKQTKW-HTQZYQBOSA-N 1 0 233.789 3.297 10 0 BGAERO [NH3+][C@H](c1ccsc1Cl)[C@@H]1CCCS1 ZINC000307339129 352059423 /nfs/dbraw/zinc/05/94/23/352059423.db2.gz RIKXHLCWTKQTKW-JGVFFNPUSA-N 1 0 233.789 3.297 10 0 BGAERO [NH3+][C@@H](c1ccsc1Cl)[C@H]1CCCS1 ZINC000307339130 352059312 /nfs/dbraw/zinc/05/93/12/352059312.db2.gz RIKXHLCWTKQTKW-SFYZADRCSA-N 1 0 233.789 3.297 10 0 BGAERO [NH3+][C@@H](c1ccsc1Cl)[C@@H]1CCCS1 ZINC000307339131 352059586 /nfs/dbraw/zinc/05/95/86/352059586.db2.gz RIKXHLCWTKQTKW-YUMQZZPRSA-N 1 0 233.789 3.297 10 0 BGAERO C[C@@H]1C[NH2+]CC[C@H]1c1ccsc1Cl ZINC000307347063 352102339 /nfs/dbraw/zinc/10/23/39/352102339.db2.gz MRCWREMMCODDSC-HTQZYQBOSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@H]1C[NH2+]CC[C@H]1c1ccsc1Cl ZINC000307347064 352102335 /nfs/dbraw/zinc/10/23/35/352102335.db2.gz MRCWREMMCODDSC-JGVFFNPUSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@@H]1C[NH2+]CC[C@@H]1c1ccsc1Cl ZINC000307347065 352102370 /nfs/dbraw/zinc/10/23/70/352102370.db2.gz MRCWREMMCODDSC-SFYZADRCSA-N 1 0 215.749 3.115 10 0 BGAERO C[C@H]1C[NH2+]CC[C@@H]1c1ccsc1Cl ZINC000307347066 352102376 /nfs/dbraw/zinc/10/23/76/352102376.db2.gz MRCWREMMCODDSC-YUMQZZPRSA-N 1 0 215.749 3.115 10 0 BGAERO CCC[C@@]1(CC)[NH2+]CCc2sccc21 ZINC000307347645 566278629 /nfs/dbraw/zinc/27/86/29/566278629.db2.gz ALMYULJGMKUVGH-GFCCVEGCSA-N 1 0 209.358 3.299 10 0 BGAERO CCC[C@]1(CC)[NH2+]CCc2sccc21 ZINC000307347646 566278490 /nfs/dbraw/zinc/27/84/90/566278490.db2.gz ALMYULJGMKUVGH-LBPRGKRZSA-N 1 0 209.358 3.299 10 0 BGAERO Clc1ccsc1C[C@H]1CCCC[NH2+]1 ZINC000307349703 386108780 /nfs/dbraw/zinc/10/87/80/386108780.db2.gz GXBJBPMHZFJMEM-MRVPVSSYSA-N 1 0 215.749 3.086 10 0 BGAERO Clc1ccsc1C[C@@H]1CCCC[NH2+]1 ZINC000307349704 386109590 /nfs/dbraw/zinc/10/95/90/386109590.db2.gz GXBJBPMHZFJMEM-QMMMGPOBSA-N 1 0 215.749 3.086 10 0 BGAERO Cc1[nH+]ccc(N[C@H](C)C(C)C)c1Cl ZINC000307351042 386485302 /nfs/dbraw/zinc/48/53/02/386485302.db2.gz BCERKQJAPFRKHR-MRVPVSSYSA-N 1 0 212.724 3.500 10 0 BGAERO Cc1[nH+]ccc(N[C@@H](C)C(C)C)c1Cl ZINC000307351043 386486197 /nfs/dbraw/zinc/48/61/97/386486197.db2.gz BCERKQJAPFRKHR-QMMMGPOBSA-N 1 0 212.724 3.500 10 0 BGAERO C[C@@H]1CC[C@]([NH3+])(c2ccsc2Cl)C1 ZINC000307363023 372115467 /nfs/dbraw/zinc/11/54/67/372115467.db2.gz JLIGURXSWLBQRG-GMSGAONNSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CC[C@]([NH3+])(c2ccsc2Cl)C1 ZINC000307363024 372115497 /nfs/dbraw/zinc/11/54/97/372115497.db2.gz JLIGURXSWLBQRG-OIBJUYFYSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1CC[C@@]([NH3+])(c2ccsc2Cl)C1 ZINC000307363026 372115379 /nfs/dbraw/zinc/11/53/79/372115379.db2.gz JLIGURXSWLBQRG-XCBNKYQSSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CC[C@@]([NH3+])(c2ccsc2Cl)C1 ZINC000307363027 372115363 /nfs/dbraw/zinc/11/53/63/372115363.db2.gz JLIGURXSWLBQRG-XVKPBYJWSA-N 1 0 215.749 3.376 10 0 BGAERO [NH3+][C@H](c1coc(Br)c1)C1CCCC1 ZINC000307373801 352472762 /nfs/dbraw/zinc/47/27/62/352472762.db2.gz SOESGJKFACZXID-JTQLQIEISA-N 1 0 244.132 3.232 10 0 BGAERO [NH3+][C@@H](c1coc(Br)c1)C1CCCC1 ZINC000307373802 352473164 /nfs/dbraw/zinc/47/31/64/352473164.db2.gz SOESGJKFACZXID-SNVBAGLBSA-N 1 0 244.132 3.232 10 0 BGAERO C/C(=C\c1ccsc1Br)[C@@H](C)[NH3+] ZINC000307374939 372117372 /nfs/dbraw/zinc/11/73/72/372117372.db2.gz YKOOPEBUYQNKRB-WEWAHIQMSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C\c1ccsc1Br)[C@H](C)[NH3+] ZINC000307374944 352474956 /nfs/dbraw/zinc/47/49/56/352474956.db2.gz YKOOPEBUYQNKRB-XPPMVYLVSA-N 1 0 246.173 3.261 10 0 BGAERO CC1CCC([NH3+])(COCc2ccccc2)CC1 ZINC000307375727 352474942 /nfs/dbraw/zinc/47/49/42/352474942.db2.gz UXPMIOWJMHFDSC-UHFFFAOYSA-N 1 0 233.355 3.111 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](Cc2sccc2Cl)C1 ZINC000307389979 388390268 /nfs/dbraw/zinc/39/02/68/388390268.db2.gz RLQBHBMFLFKCIX-BDAKNGLRSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](Cc2sccc2Cl)C1 ZINC000307389980 388390303 /nfs/dbraw/zinc/39/03/03/388390303.db2.gz RLQBHBMFLFKCIX-DTWKUNHWSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@H]1CCC[C@H](Cc2sccc2Cl)C1 ZINC000307389981 388390245 /nfs/dbraw/zinc/39/02/45/388390245.db2.gz RLQBHBMFLFKCIX-IUCAKERBSA-N 1 0 229.776 3.462 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](Cc2sccc2Cl)C1 ZINC000307389982 388390240 /nfs/dbraw/zinc/39/02/40/388390240.db2.gz RLQBHBMFLFKCIX-RKDXNWHRSA-N 1 0 229.776 3.462 10 0 BGAERO Cc1cc(CC[C@H]2CCCC[NH2+]2)cs1 ZINC000307395286 352569186 /nfs/dbraw/zinc/56/91/86/352569186.db2.gz NGDQGPWFAYTRAQ-GFCCVEGCSA-N 1 0 209.358 3.131 10 0 BGAERO Cc1cc(CC[C@@H]2CCCC[NH2+]2)cs1 ZINC000307395287 352568910 /nfs/dbraw/zinc/56/89/10/352568910.db2.gz NGDQGPWFAYTRAQ-LBPRGKRZSA-N 1 0 209.358 3.131 10 0 BGAERO Clc1ccc(Cl)c([C@@H]2C=CC[NH2+]2)c1 ZINC000307398951 352571558 /nfs/dbraw/zinc/57/15/58/352571558.db2.gz ZSQNPPFLBVMHDO-JTQLQIEISA-N 1 0 214.095 3.194 10 0 BGAERO Clc1ccc(Cl)c([C@H]2C=CC[NH2+]2)c1 ZINC000307398952 352571343 /nfs/dbraw/zinc/57/13/43/352571343.db2.gz ZSQNPPFLBVMHDO-SNVBAGLBSA-N 1 0 214.095 3.194 10 0 BGAERO [NH3+]C1(C[C@H]2CCCC2(F)F)CCCC1 ZINC000307399378 352571478 /nfs/dbraw/zinc/57/14/78/352571478.db2.gz WJAPUDONEWTFCZ-SECBINFHSA-N 1 0 203.276 3.083 10 0 BGAERO [NH3+]C1(C[C@@H]2CCCC2(F)F)CCCC1 ZINC000307399379 352571514 /nfs/dbraw/zinc/57/15/14/352571514.db2.gz WJAPUDONEWTFCZ-VIFPVBQESA-N 1 0 203.276 3.083 10 0 BGAERO Clc1cc(C=C2CC[NH2+]CC2)cs1 ZINC000307405507 352580875 /nfs/dbraw/zinc/58/08/75/352580875.db2.gz FBSAFKAMSIMKQM-UHFFFAOYSA-N 1 0 213.733 3.168 10 0 BGAERO CC[C@@H]([NH3+])Cc1cc(Br)ccc1C ZINC000307405760 352581227 /nfs/dbraw/zinc/58/12/27/352581227.db2.gz LZYDFYDRECQKQM-LLVKDONJSA-N 1 0 242.160 3.037 10 0 BGAERO CC[C@H]([NH3+])Cc1cc(Br)ccc1C ZINC000307405762 352581237 /nfs/dbraw/zinc/58/12/37/352581237.db2.gz LZYDFYDRECQKQM-NSHDSACASA-N 1 0 242.160 3.037 10 0 BGAERO [NH3+][C@H](Cc1sccc1Cl)c1ccoc1 ZINC000307406898 352581992 /nfs/dbraw/zinc/58/19/92/352581992.db2.gz DFDSCVCTJUXHMN-SECBINFHSA-N 1 0 227.716 3.237 10 0 BGAERO [NH3+][C@@H](Cc1sccc1Cl)c1ccoc1 ZINC000307406903 352582001 /nfs/dbraw/zinc/58/20/01/352582001.db2.gz DFDSCVCTJUXHMN-VIFPVBQESA-N 1 0 227.716 3.237 10 0 BGAERO CCC1CCC([C@](C)(F)[C@@H](C)[NH3+])CC1 ZINC000307412659 353075406 /nfs/dbraw/zinc/07/54/06/353075406.db2.gz KZXACPVEBKPABQ-HBIQZDMRSA-N 1 0 201.329 3.278 10 0 BGAERO CCC1CCC([C@](C)(F)[C@H](C)[NH3+])CC1 ZINC000307412667 352589663 /nfs/dbraw/zinc/58/96/63/352589663.db2.gz KZXACPVEBKPABQ-WNYYMSAVSA-N 1 0 201.329 3.278 10 0 BGAERO CCC1CCC([C@@](C)(F)[C@H](C)[NH3+])CC1 ZINC000307412674 352589242 /nfs/dbraw/zinc/58/92/42/352589242.db2.gz KZXACPVEBKPABQ-XKGSQUFQSA-N 1 0 201.329 3.278 10 0 BGAERO CCC1CCC([C@@](C)(F)[C@@H](C)[NH3+])CC1 ZINC000307412681 352589673 /nfs/dbraw/zinc/58/96/73/352589673.db2.gz KZXACPVEBKPABQ-YYJSSNLHSA-N 1 0 201.329 3.278 10 0 BGAERO [NH3+]C1(Cc2sccc2Cl)CCCC1 ZINC000307413278 352589976 /nfs/dbraw/zinc/58/99/76/352589976.db2.gz LGSUXXWVPPTADF-UHFFFAOYSA-N 1 0 215.749 3.216 10 0 BGAERO CCC[C@](C)([NH3+])CCOCc1ccccc1 ZINC000307415530 352589605 /nfs/dbraw/zinc/58/96/05/352589605.db2.gz JXOFPECNDKABDD-AWEZNQCLSA-N 1 0 221.344 3.111 10 0 BGAERO CCC[C@@](C)([NH3+])CCOCc1ccccc1 ZINC000307415541 352589174 /nfs/dbraw/zinc/58/91/74/352589174.db2.gz JXOFPECNDKABDD-CQSZACIVSA-N 1 0 221.344 3.111 10 0 BGAERO CC(C)(F)[C@H]([NH3+])c1sccc1Cl ZINC000307418971 352592097 /nfs/dbraw/zinc/59/20/97/352592097.db2.gz MKDKEZFWGFDZJH-SSDOTTSWSA-N 1 0 207.701 3.149 10 0 BGAERO CC(C)(F)[C@@H]([NH3+])c1sccc1Cl ZINC000307418972 352592085 /nfs/dbraw/zinc/59/20/85/352592085.db2.gz MKDKEZFWGFDZJH-ZETCQYMHSA-N 1 0 207.701 3.149 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)CCOCc1ccccc1 ZINC000307424966 352592350 /nfs/dbraw/zinc/59/23/50/352592350.db2.gz DUDHFBOBHAWFSD-KBPBESRZSA-N 1 0 235.371 3.227 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](C)CCOCc1ccccc1 ZINC000307424967 352592599 /nfs/dbraw/zinc/59/25/99/352592599.db2.gz DUDHFBOBHAWFSD-KGLIPLIRSA-N 1 0 235.371 3.227 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)CCOCc1ccccc1 ZINC000307424969 352592643 /nfs/dbraw/zinc/59/26/43/352592643.db2.gz DUDHFBOBHAWFSD-UONOGXRCSA-N 1 0 235.371 3.227 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)CCOCc1ccccc1 ZINC000307424971 352592662 /nfs/dbraw/zinc/59/26/62/352592662.db2.gz DUDHFBOBHAWFSD-ZIAGYGMSSA-N 1 0 235.371 3.227 10 0 BGAERO Clc1ccc(C[NH2+][C@H]2CC[C@@H]3C[C@@H]32)s1 ZINC000307429187 386650673 /nfs/dbraw/zinc/65/06/73/386650673.db2.gz UXPVUWSCTCGYSZ-JEZHCXPESA-N 1 0 227.760 3.290 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1sccc1Cl ZINC000307460862 352610943 /nfs/dbraw/zinc/61/09/43/352610943.db2.gz IPRXLLMVZPYOAD-MRVPVSSYSA-N 1 0 201.722 3.072 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1sccc1Cl ZINC000307460864 352611364 /nfs/dbraw/zinc/61/13/64/352611364.db2.gz IPRXLLMVZPYOAD-QMMMGPOBSA-N 1 0 201.722 3.072 10 0 BGAERO CCC[C@H]([NH3+])CCCOCc1ccccc1 ZINC000307464076 352610569 /nfs/dbraw/zinc/61/05/69/352610569.db2.gz HAYURLOGVWSTPZ-AWEZNQCLSA-N 1 0 221.344 3.111 10 0 BGAERO CCC[C@@H]([NH3+])CCCOCc1ccccc1 ZINC000307464078 352610488 /nfs/dbraw/zinc/61/04/88/352610488.db2.gz HAYURLOGVWSTPZ-CQSZACIVSA-N 1 0 221.344 3.111 10 0 BGAERO Cc1ccsc1-c1cc(C[NH3+])cs1 ZINC000307469574 386677067 /nfs/dbraw/zinc/67/70/67/386677067.db2.gz NHTASVKYXIDGSO-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO Cc1oc(Br)cc1[C@@H]([NH3+])C(C)(C)C ZINC000307469974 386677641 /nfs/dbraw/zinc/67/76/41/386677641.db2.gz PAYVYEQDASLPKB-SECBINFHSA-N 1 0 246.148 3.396 10 0 BGAERO Cc1oc(Br)cc1[C@H]([NH3+])C(C)(C)C ZINC000307469975 386677578 /nfs/dbraw/zinc/67/75/78/386677578.db2.gz PAYVYEQDASLPKB-VIFPVBQESA-N 1 0 246.148 3.396 10 0 BGAERO CC(C)[C@@](C)([NH3+])c1ccsc1Cl ZINC000307473002 352613582 /nfs/dbraw/zinc/61/35/82/352613582.db2.gz GLLYVHNMKWVDAC-SECBINFHSA-N 1 0 203.738 3.231 10 0 BGAERO CC(C)[C@](C)([NH3+])c1ccsc1Cl ZINC000307473003 352614017 /nfs/dbraw/zinc/61/40/17/352614017.db2.gz GLLYVHNMKWVDAC-VIFPVBQESA-N 1 0 203.738 3.231 10 0 BGAERO C/C(=C\c1ccsc1Cl)[C@@H](C)[NH3+] ZINC000307473199 352614723 /nfs/dbraw/zinc/61/47/23/352614723.db2.gz GXYCVBNVAICPRT-WEWAHIQMSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C\c1ccsc1Cl)[C@H](C)[NH3+] ZINC000307473200 352614742 /nfs/dbraw/zinc/61/47/42/352614742.db2.gz GXYCVBNVAICPRT-XPPMVYLVSA-N 1 0 201.722 3.152 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@H]1c1ccc(Cl)s1 ZINC000307478651 352618297 /nfs/dbraw/zinc/61/82/97/352618297.db2.gz FFAJZQNITXCKTQ-GMSGAONNSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@H]1c1ccc(Cl)s1 ZINC000307478652 352618152 /nfs/dbraw/zinc/61/81/52/352618152.db2.gz FFAJZQNITXCKTQ-OIBJUYFYSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@@H]1c1ccc(Cl)s1 ZINC000307478653 352617828 /nfs/dbraw/zinc/61/78/28/352617828.db2.gz FFAJZQNITXCKTQ-XCBNKYQSSA-N 1 0 215.749 3.318 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@@H]1c1ccc(Cl)s1 ZINC000307478655 352618110 /nfs/dbraw/zinc/61/81/10/352618110.db2.gz FFAJZQNITXCKTQ-XVKPBYJWSA-N 1 0 215.749 3.318 10 0 BGAERO CC[C@H]([NH2+]C)c1ccc(Cl)c(C)c1F ZINC000307488587 398171433 /nfs/dbraw/zinc/17/14/33/398171433.db2.gz FABOXHPEQGIXFP-JTQLQIEISA-N 1 0 215.699 3.458 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccc(Cl)c(C)c1F ZINC000307488588 398171419 /nfs/dbraw/zinc/17/14/19/398171419.db2.gz FABOXHPEQGIXFP-SNVBAGLBSA-N 1 0 215.699 3.458 10 0 BGAERO CC[C@@H](CCCOCc1ccccc1)C[NH2+]C ZINC000307495632 352625379 /nfs/dbraw/zinc/62/53/79/352625379.db2.gz JDXXPUMYUYJPBY-AWEZNQCLSA-N 1 0 235.371 3.229 10 0 BGAERO CC[C@H](CCCOCc1ccccc1)C[NH2+]C ZINC000307495634 352625351 /nfs/dbraw/zinc/62/53/51/352625351.db2.gz JDXXPUMYUYJPBY-CQSZACIVSA-N 1 0 235.371 3.229 10 0 BGAERO Cc1nc([C@H](C)C(C)C)sc1[C@@H](C)[NH3+] ZINC000307504910 398173383 /nfs/dbraw/zinc/17/33/83/398173383.db2.gz PTRXKJQHNZAYEU-HTQZYQBOSA-N 1 0 212.362 3.231 10 0 BGAERO Cc1nc([C@@H](C)C(C)C)sc1[C@@H](C)[NH3+] ZINC000307504916 398173507 /nfs/dbraw/zinc/17/35/07/398173507.db2.gz PTRXKJQHNZAYEU-JGVFFNPUSA-N 1 0 212.362 3.231 10 0 BGAERO Cc1nc([C@H](C)C(C)C)sc1[C@H](C)[NH3+] ZINC000307504921 398173515 /nfs/dbraw/zinc/17/35/15/398173515.db2.gz PTRXKJQHNZAYEU-SFYZADRCSA-N 1 0 212.362 3.231 10 0 BGAERO Cc1nc([C@@H](C)C(C)C)sc1[C@H](C)[NH3+] ZINC000307504927 398173540 /nfs/dbraw/zinc/17/35/40/398173540.db2.gz PTRXKJQHNZAYEU-YUMQZZPRSA-N 1 0 212.362 3.231 10 0 BGAERO Clc1ccc([C@H]2[NH2+]CC23CCC3)s1 ZINC000307513789 352632304 /nfs/dbraw/zinc/63/23/04/352632304.db2.gz ZHDIBWRCNTTWLQ-SECBINFHSA-N 1 0 213.733 3.216 10 0 BGAERO Clc1ccc([C@@H]2[NH2+]CC23CCC3)s1 ZINC000307513790 352632266 /nfs/dbraw/zinc/63/22/66/352632266.db2.gz ZHDIBWRCNTTWLQ-VIFPVBQESA-N 1 0 213.733 3.216 10 0 BGAERO CCSc1cccc(Cl)c1[C@H](C)[NH3+] ZINC000307514906 352631545 /nfs/dbraw/zinc/63/15/45/352631545.db2.gz GNIISVFESUYYBE-ZETCQYMHSA-N 1 0 215.749 3.472 10 0 BGAERO Cc1ccc(-c2cc(C[NH3+])cs2)s1 ZINC000307546544 352645925 /nfs/dbraw/zinc/64/59/25/352645925.db2.gz ZSIQXINVLINKCR-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO [NH3+]Cc1coc(-c2ccsc2Cl)c1 ZINC000307550991 352648872 /nfs/dbraw/zinc/64/88/72/352648872.db2.gz RTPNMQDTPVZAQI-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO CCC(CC)[NH2+]CCCOCc1ccccc1 ZINC000307551911 352648172 /nfs/dbraw/zinc/64/81/72/352648172.db2.gz UGHGVJURDVKMTN-UHFFFAOYSA-N 1 0 235.371 3.372 10 0 BGAERO [NH3+][C@@H](CF)c1ccc(NCc2ccccc2)cc1 ZINC000307559409 352649592 /nfs/dbraw/zinc/64/95/92/352649592.db2.gz QOLQJLPPVGCZTQ-HNNXBMFYSA-N 1 0 244.313 3.268 10 0 BGAERO C[NH2+][C@@H](c1cc(C)sc1C)C(C)(C)F ZINC000307560843 352653964 /nfs/dbraw/zinc/65/39/64/352653964.db2.gz INMSARJRSKMLIR-JTQLQIEISA-N 1 0 215.337 3.374 10 0 BGAERO C[NH2+][C@H](c1cc(C)sc1C)C(C)(C)F ZINC000307560844 352653583 /nfs/dbraw/zinc/65/35/83/352653583.db2.gz INMSARJRSKMLIR-SNVBAGLBSA-N 1 0 215.337 3.374 10 0 BGAERO CC/C(=C/c1cscc1Br)C[NH3+] ZINC000307567595 353084984 /nfs/dbraw/zinc/08/49/84/353084984.db2.gz UJRFBCCFPIPKMT-CLTKARDFSA-N 1 0 246.173 3.263 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1ccccc1Br ZINC000307572808 352658178 /nfs/dbraw/zinc/65/81/78/352658178.db2.gz DRUKALRZCZLKGI-JTQLQIEISA-N 1 0 240.144 3.120 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1ccccc1Br ZINC000307572809 352658261 /nfs/dbraw/zinc/65/82/61/352658261.db2.gz DRUKALRZCZLKGI-SNVBAGLBSA-N 1 0 240.144 3.120 10 0 BGAERO CC[C@@](C)(CCOCc1ccccc1)C[NH2+]C ZINC000307575573 352658959 /nfs/dbraw/zinc/65/89/59/352658959.db2.gz ITNIMMCDZVALMG-HNNXBMFYSA-N 1 0 235.371 3.229 10 0 BGAERO CC[C@](C)(CCOCc1ccccc1)C[NH2+]C ZINC000307575574 352659033 /nfs/dbraw/zinc/65/90/33/352659033.db2.gz ITNIMMCDZVALMG-OAHLLOKOSA-N 1 0 235.371 3.229 10 0 BGAERO C[NH2+][C@H](C)c1cc(Cl)c(C)cc1F ZINC000307584072 372128067 /nfs/dbraw/zinc/12/80/67/372128067.db2.gz GZUROQGRPNBMLR-SSDOTTSWSA-N 1 0 201.672 3.068 10 0 BGAERO C[NH2+][C@@H](C)c1cc(Cl)c(C)cc1F ZINC000307584073 372128928 /nfs/dbraw/zinc/12/89/28/372128928.db2.gz GZUROQGRPNBMLR-ZETCQYMHSA-N 1 0 201.672 3.068 10 0 BGAERO C[NH2+][C@H](C)/C=C/c1cscc1Br ZINC000307584154 352660770 /nfs/dbraw/zinc/66/07/70/352660770.db2.gz HHGZCPQMBMCALT-KGGZQZJCSA-N 1 0 246.173 3.132 10 0 BGAERO C[NH2+][C@@H](C)/C=C/c1cscc1Br ZINC000307584155 352660830 /nfs/dbraw/zinc/66/08/30/352660830.db2.gz HHGZCPQMBMCALT-SDLBARTOSA-N 1 0 246.173 3.132 10 0 BGAERO [NH3+]C1CC(=Cc2ccsc2Br)C1 ZINC000307586290 352661192 /nfs/dbraw/zinc/66/11/92/352661192.db2.gz PJQMAYNVDPOASC-UHFFFAOYSA-N 1 0 244.157 3.015 10 0 BGAERO [NH3+]C/C=C/c1cc(Cl)sc1Cl ZINC000307586309 352661259 /nfs/dbraw/zinc/66/12/59/352661259.db2.gz PMWAWVGRQYMOLM-OWOJBTEDSA-N 1 0 208.113 3.027 10 0 BGAERO CC(C)(C)NC(=[NH2+])c1ccc(Cl)s1 ZINC000307604893 352668460 /nfs/dbraw/zinc/66/84/60/352668460.db2.gz XFGNPOHCNGORJT-UHFFFAOYSA-N 1 0 216.737 3.115 10 0 BGAERO CCSc1cccc(Cl)c1[C@@H](C)[NH3+] ZINC000307609805 372130866 /nfs/dbraw/zinc/13/08/66/372130866.db2.gz GNIISVFESUYYBE-SSDOTTSWSA-N 1 0 215.749 3.472 10 0 BGAERO C/C(=C/COCc1ccccc1)CCCC[NH3+] ZINC000307619305 352678370 /nfs/dbraw/zinc/67/83/70/352678370.db2.gz XBKFPHDJWSPFPT-UVTDQMKNSA-N 1 0 233.355 3.279 10 0 BGAERO CC[NH2+]Cc1cc(C)c(Br)c(C)c1 ZINC000307621810 352692473 /nfs/dbraw/zinc/69/24/73/352692473.db2.gz CDLHHQGXEMQVIW-UHFFFAOYSA-N 1 0 242.160 3.175 10 0 BGAERO CC(C)(C)[C@H]([NH3+])c1coc(Br)c1 ZINC000307626244 352706900 /nfs/dbraw/zinc/70/69/00/352706900.db2.gz KHRAKCPZIQZLMT-MRVPVSSYSA-N 1 0 232.121 3.088 10 0 BGAERO CC(C)(C)[C@@H]([NH3+])c1coc(Br)c1 ZINC000307626245 352706880 /nfs/dbraw/zinc/70/68/80/352706880.db2.gz KHRAKCPZIQZLMT-QMMMGPOBSA-N 1 0 232.121 3.088 10 0 BGAERO c1ccc(C[NH2+][C@H]2Cc3ccccc32)cc1 ZINC000307642274 372134448 /nfs/dbraw/zinc/13/44/48/372134448.db2.gz JOGUTDXMKAAUCE-HNNXBMFYSA-N 1 0 209.292 3.074 10 0 BGAERO c1ccc(C[NH2+][C@@H]2Cc3ccccc32)cc1 ZINC000307642275 352736335 /nfs/dbraw/zinc/73/63/35/352736335.db2.gz JOGUTDXMKAAUCE-OAHLLOKOSA-N 1 0 209.292 3.074 10 0 BGAERO CC1=C(c2ccc(Cl)s2)C[NH2+]CC1 ZINC000307644009 352737384 /nfs/dbraw/zinc/73/73/84/352737384.db2.gz RKXHLLPOTWNMTJ-UHFFFAOYSA-N 1 0 213.733 3.168 10 0 BGAERO Clc1csc([C@@H]2[NH2+]C[C@@H]2C2CC2)c1 ZINC000307645308 372134682 /nfs/dbraw/zinc/13/46/82/372134682.db2.gz YBEHZFTXYGKMRE-PSASIEDQSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1csc([C@H]2[NH2+]C[C@@H]2C2CC2)c1 ZINC000307645309 372134743 /nfs/dbraw/zinc/13/47/43/372134743.db2.gz YBEHZFTXYGKMRE-SCZZXKLOSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1csc([C@@H]2[NH2+]C[C@H]2C2CC2)c1 ZINC000307645310 372136141 /nfs/dbraw/zinc/13/61/41/372136141.db2.gz YBEHZFTXYGKMRE-WCBMZHEXSA-N 1 0 213.733 3.072 10 0 BGAERO Clc1csc([C@H]2[NH2+]C[C@H]2C2CC2)c1 ZINC000307645311 372136504 /nfs/dbraw/zinc/13/65/04/372136504.db2.gz YBEHZFTXYGKMRE-WPRPVWTQSA-N 1 0 213.733 3.072 10 0 BGAERO C[C@H]([NH3+])[C@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000307654382 352742161 /nfs/dbraw/zinc/74/21/61/352742161.db2.gz VOUXWQBMAZBCKG-BQBZGAKWSA-N 1 0 246.137 3.159 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000307654384 352742159 /nfs/dbraw/zinc/74/21/59/352742159.db2.gz VOUXWQBMAZBCKG-NKWVEPMBSA-N 1 0 246.137 3.159 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)C(=O)c1ccc(Cl)cc1Cl ZINC000307654386 352742179 /nfs/dbraw/zinc/74/21/79/352742179.db2.gz VOUXWQBMAZBCKG-RNFRBKRXSA-N 1 0 246.137 3.159 10 0 BGAERO C[C@@H](C(=O)c1ccc(Cl)cc1Cl)[C@H](C)[NH3+] ZINC000307654388 352742130 /nfs/dbraw/zinc/74/21/30/352742130.db2.gz VOUXWQBMAZBCKG-RQJHMYQMSA-N 1 0 246.137 3.159 10 0 BGAERO [NH3+][C@H](CF)c1ccc(NCc2ccccc2)cc1 ZINC000307656640 352744547 /nfs/dbraw/zinc/74/45/47/352744547.db2.gz QOLQJLPPVGCZTQ-OAHLLOKOSA-N 1 0 244.313 3.268 10 0 BGAERO C[C@H]1C[NH2+][C@@](C)(CC(C)(C)C)SC1 ZINC000307660310 352745177 /nfs/dbraw/zinc/74/51/77/352745177.db2.gz BKBATQWGDYCRLB-GXSJLCMTSA-N 1 0 201.379 3.111 10 0 BGAERO C[C@@H]1C[NH2+][C@](C)(CC(C)(C)C)SC1 ZINC000307660314 352745057 /nfs/dbraw/zinc/74/50/57/352745057.db2.gz BKBATQWGDYCRLB-KOLCDFICSA-N 1 0 201.379 3.111 10 0 BGAERO C[C@@H]1C[NH2+][C@@](C)(CC(C)(C)C)SC1 ZINC000307660319 352745236 /nfs/dbraw/zinc/74/52/36/352745236.db2.gz BKBATQWGDYCRLB-MWLCHTKSSA-N 1 0 201.379 3.111 10 0 BGAERO C[C@H]1C[NH2+][C@](C)(CC(C)(C)C)SC1 ZINC000307660325 352745294 /nfs/dbraw/zinc/74/52/94/352745294.db2.gz BKBATQWGDYCRLB-ONGXEEELSA-N 1 0 201.379 3.111 10 0 BGAERO C[C@@H]1CC[C@H]([C@@H]([NH3+])C(C)(F)F)C[C@H]1C ZINC000307681791 352796357 /nfs/dbraw/zinc/79/63/57/352796357.db2.gz YPLSONICQIJJKY-DOLQZWNJSA-N 1 0 205.292 3.041 10 0 BGAERO C[C@@H]1CC[C@H]([C@H]([NH3+])C(C)(F)F)C[C@H]1C ZINC000307681793 352796168 /nfs/dbraw/zinc/79/61/68/352796168.db2.gz YPLSONICQIJJKY-IMSYWVGJSA-N 1 0 205.292 3.041 10 0 BGAERO C[C@@H]1CC[C@H]([C@H]([NH3+])C(C)(F)F)C[C@@H]1C ZINC000307681794 352796273 /nfs/dbraw/zinc/79/62/73/352796273.db2.gz YPLSONICQIJJKY-KATARQTJSA-N 1 0 205.292 3.041 10 0 BGAERO C[C@@H]1CC[C@H]([C@@H]([NH3+])C(C)(F)F)C[C@@H]1C ZINC000307681795 352796057 /nfs/dbraw/zinc/79/60/57/352796057.db2.gz YPLSONICQIJJKY-XFWSIPNHSA-N 1 0 205.292 3.041 10 0 BGAERO C[C@]1([C@H]([NH3+])c2sccc2Cl)C[C@H]1F ZINC000307690219 352933918 /nfs/dbraw/zinc/93/39/18/352933918.db2.gz LZUXZPOHYYSCRI-VDAHYXPESA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@@H]([NH3+])c2sccc2Cl)C[C@@H]1F ZINC000307690220 352933647 /nfs/dbraw/zinc/93/36/47/352933647.db2.gz LZUXZPOHYYSCRI-XVYDVKMFSA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@@H]([NH3+])c2sccc2Cl)C[C@H]1F ZINC000307690222 352933937 /nfs/dbraw/zinc/93/39/37/352933937.db2.gz LZUXZPOHYYSCRI-YEPSODPASA-N 1 0 219.712 3.149 10 0 BGAERO C[C@]1([C@H]([NH3+])c2sccc2Cl)C[C@@H]1F ZINC000307690223 352934005 /nfs/dbraw/zinc/93/40/05/352934005.db2.gz LZUXZPOHYYSCRI-ZQARSLAVSA-N 1 0 219.712 3.149 10 0 BGAERO C[C@@H](CF)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000307696346 411515451 /nfs/dbraw/zinc/51/54/51/411515451.db2.gz KEIQENHMIOGFTP-DCAQKATOSA-N 1 0 201.329 3.149 10 0 BGAERO C[C@@H](CF)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000307696347 411484236 /nfs/dbraw/zinc/48/42/36/411484236.db2.gz KEIQENHMIOGFTP-GARJFASQSA-N 1 0 201.329 3.149 10 0 BGAERO [NH3+]CC1(Cc2sccc2Cl)CCC1 ZINC000307709959 353102532 /nfs/dbraw/zinc/10/25/32/353102532.db2.gz NZDUAMRNSPKDKT-UHFFFAOYSA-N 1 0 215.749 3.073 10 0 BGAERO [NH3+]C1CCC(CCOCc2ccccc2)CC1 ZINC000307715288 353107537 /nfs/dbraw/zinc/10/75/37/353107537.db2.gz HEVFPNOIBALXLN-UHFFFAOYSA-N 1 0 233.355 3.111 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1csc(Cl)c1 ZINC000307719374 353109132 /nfs/dbraw/zinc/10/91/32/353109132.db2.gz MXVLSQMUTCUOIP-MRVPVSSYSA-N 1 0 201.722 3.368 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1csc(Cl)c1 ZINC000307719375 353109117 /nfs/dbraw/zinc/10/91/17/353109117.db2.gz MXVLSQMUTCUOIP-QMMMGPOBSA-N 1 0 201.722 3.368 10 0 BGAERO Cc1csc([C@@H]([NH3+])c2cccs2)c1 ZINC000307732323 353121339 /nfs/dbraw/zinc/12/13/39/353121339.db2.gz LFUMZHMFNUJQDX-JTQLQIEISA-N 1 0 209.339 3.166 10 0 BGAERO Cc1csc([C@H]([NH3+])c2cccs2)c1 ZINC000307732324 353121202 /nfs/dbraw/zinc/12/12/02/353121202.db2.gz LFUMZHMFNUJQDX-SNVBAGLBSA-N 1 0 209.339 3.166 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](Cc2sccc2Cl)C1 ZINC000307760418 372145557 /nfs/dbraw/zinc/14/55/57/372145557.db2.gz VTINWAWALGNCRL-BDAKNGLRSA-N 1 0 229.776 3.332 10 0 BGAERO C[C@H]1CC[NH2+][C@@H](Cc2sccc2Cl)C1 ZINC000307760419 372145799 /nfs/dbraw/zinc/14/57/99/372145799.db2.gz VTINWAWALGNCRL-DTWKUNHWSA-N 1 0 229.776 3.332 10 0 BGAERO C[C@H]1CC[NH2+][C@H](Cc2sccc2Cl)C1 ZINC000307760420 372145462 /nfs/dbraw/zinc/14/54/62/372145462.db2.gz VTINWAWALGNCRL-IUCAKERBSA-N 1 0 229.776 3.332 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](Cc2sccc2Cl)C1 ZINC000307760421 353130624 /nfs/dbraw/zinc/13/06/24/353130624.db2.gz VTINWAWALGNCRL-RKDXNWHRSA-N 1 0 229.776 3.332 10 0 BGAERO [NH3+]Cc1c(Cl)scc1C1CCC1 ZINC000307761335 353131690 /nfs/dbraw/zinc/13/16/90/353131690.db2.gz ZASKCKOFARIZMZ-UHFFFAOYSA-N 1 0 201.722 3.128 10 0 BGAERO CCc1cc(N[C@@H](C)c2ncc(C)o2)cc[nH+]1 ZINC000307765852 529560596 /nfs/dbraw/zinc/56/05/96/529560596.db2.gz AJFWBPVPCAOLBC-JTQLQIEISA-N 1 0 231.299 3.114 10 0 BGAERO CCc1cc(N[C@H](C)c2ncc(C)o2)cc[nH+]1 ZINC000307765853 529562119 /nfs/dbraw/zinc/56/21/19/529562119.db2.gz AJFWBPVPCAOLBC-SNVBAGLBSA-N 1 0 231.299 3.114 10 0 BGAERO CCc1cc(N[C@H]2COc3ccccc32)cc[nH+]1 ZINC000307777293 529562744 /nfs/dbraw/zinc/56/27/44/529562744.db2.gz VUICYWXWCUDYNK-AWEZNQCLSA-N 1 0 240.306 3.190 10 0 BGAERO CCc1cc(N[C@@H]2COc3ccccc32)cc[nH+]1 ZINC000307777295 529561148 /nfs/dbraw/zinc/56/11/48/529561148.db2.gz VUICYWXWCUDYNK-CQSZACIVSA-N 1 0 240.306 3.190 10 0 BGAERO CC(C)C[C@@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000307846188 643687012 /nfs/dbraw/zinc/68/70/12/643687012.db2.gz MLMKCBCJDWEFTL-AWEZNQCLSA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)C[C@H]1CC[N@H+](CC2(O)CCCCC2)C1 ZINC000307846189 643689001 /nfs/dbraw/zinc/68/90/01/643689001.db2.gz MLMKCBCJDWEFTL-CQSZACIVSA-N 1 0 239.403 3.050 10 0 BGAERO C/C(=C/c1cc(Br)cs1)[C@@H](C)[NH3+] ZINC000307937748 353270538 /nfs/dbraw/zinc/27/05/38/353270538.db2.gz PZFXWOWWRFQPRU-FXHNIGACSA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C/c1cc(Br)cs1)[C@H](C)[NH3+] ZINC000307937749 353270540 /nfs/dbraw/zinc/27/05/40/353270540.db2.gz PZFXWOWWRFQPRU-NFNQMPKISA-N 1 0 246.173 3.261 10 0 BGAERO C/C(=C/c1ccc(Cl)s1)[C@@H](C)[NH3+] ZINC000307940960 353273227 /nfs/dbraw/zinc/27/32/27/353273227.db2.gz YDBQIDIBGRDJKU-KXTMECRCSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C/c1ccc(Cl)s1)[C@H](C)[NH3+] ZINC000307940961 353273142 /nfs/dbraw/zinc/27/31/42/353273142.db2.gz YDBQIDIBGRDJKU-RBSILHGTSA-N 1 0 201.722 3.152 10 0 BGAERO C[NH2+][C@@H](C)/C=C\c1cscc1Br ZINC000308000832 346748248 /nfs/dbraw/zinc/74/82/48/346748248.db2.gz HHGZCPQMBMCALT-AVALRIAPSA-N 1 0 246.173 3.132 10 0 BGAERO C[NH2+][C@H](C)/C=C\c1cscc1Br ZINC000308000834 346748197 /nfs/dbraw/zinc/74/81/97/346748197.db2.gz HHGZCPQMBMCALT-KFOINNEUSA-N 1 0 246.173 3.132 10 0 BGAERO CC/C(=C\c1cscc1Br)C[NH3+] ZINC000308020541 353484715 /nfs/dbraw/zinc/48/47/15/353484715.db2.gz UJRFBCCFPIPKMT-XVNBXDOJSA-N 1 0 246.173 3.263 10 0 BGAERO C/C(=C/c1sc(Cl)nc1Cl)[C@@H](C)[NH3+] ZINC000308115143 354015342 /nfs/dbraw/zinc/01/53/42/354015342.db2.gz PWLYJLWGEFSYOO-CLBPYYFESA-N 1 0 237.155 3.200 10 0 BGAERO C/C(=C/c1sc(Cl)nc1Cl)[C@H](C)[NH3+] ZINC000308115145 350529868 /nfs/dbraw/zinc/52/98/68/350529868.db2.gz PWLYJLWGEFSYOO-XUELKZDXSA-N 1 0 237.155 3.200 10 0 BGAERO CC[C@H]1CC[N@@H+]1CCSC(C)(C)C ZINC000308174238 642473291 /nfs/dbraw/zinc/47/32/91/642473291.db2.gz CRIUWTOKNVBQDL-JTQLQIEISA-N 1 0 201.379 3.002 10 0 BGAERO CC[C@@H]1CC[N@@H+]1CCSC(C)(C)C ZINC000308174242 642473746 /nfs/dbraw/zinc/47/37/46/642473746.db2.gz CRIUWTOKNVBQDL-SNVBAGLBSA-N 1 0 201.379 3.002 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)CSC)C(C)(C)C ZINC000308228052 388433466 /nfs/dbraw/zinc/43/34/66/388433466.db2.gz NSYFXNTUUJMRAB-NXEZZACHSA-N 1 0 203.395 3.152 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)CSC)C(C)(C)C ZINC000308228056 388433791 /nfs/dbraw/zinc/43/37/91/388433791.db2.gz NSYFXNTUUJMRAB-UWVGGRQHSA-N 1 0 203.395 3.152 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)CSC)C(C)(C)C ZINC000308228059 388433953 /nfs/dbraw/zinc/43/39/53/388433953.db2.gz NSYFXNTUUJMRAB-VHSXEESVSA-N 1 0 203.395 3.152 10 0 BGAERO CC[C@H]([NH2+][C@H](C)CSC)C(C)(C)C ZINC000308228062 388434157 /nfs/dbraw/zinc/43/41/57/388434157.db2.gz NSYFXNTUUJMRAB-ZJUUUORDSA-N 1 0 203.395 3.152 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H](C)SC)C(C)(C)C ZINC000308354150 529173639 /nfs/dbraw/zinc/17/36/39/529173639.db2.gz KCKPLFOKFWJPSM-NXEZZACHSA-N 1 0 203.395 3.152 10 0 BGAERO CC[C@H]([NH2+]C[C@H](C)SC)C(C)(C)C ZINC000308354152 529618444 /nfs/dbraw/zinc/61/84/44/529618444.db2.gz KCKPLFOKFWJPSM-UWVGGRQHSA-N 1 0 203.395 3.152 10 0 BGAERO CC[C@@H]([NH2+]C[C@H](C)SC)C(C)(C)C ZINC000308354155 529178075 /nfs/dbraw/zinc/17/80/75/529178075.db2.gz KCKPLFOKFWJPSM-VHSXEESVSA-N 1 0 203.395 3.152 10 0 BGAERO CC[C@H]([NH2+]C[C@@H](C)SC)C(C)(C)C ZINC000308354156 529610827 /nfs/dbraw/zinc/61/08/27/529610827.db2.gz KCKPLFOKFWJPSM-ZJUUUORDSA-N 1 0 203.395 3.152 10 0 BGAERO CCCCCC[N@@H+]1CCS[C@H](C)C1 ZINC000308354262 631294996 /nfs/dbraw/zinc/29/49/96/631294996.db2.gz KFEDRSQQINLGSH-LLVKDONJSA-N 1 0 201.379 3.004 10 0 BGAERO CCCCCC[N@@H+]1CCS[C@@H](C)C1 ZINC000308354265 631294652 /nfs/dbraw/zinc/29/46/52/631294652.db2.gz KFEDRSQQINLGSH-NSHDSACASA-N 1 0 201.379 3.004 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](/C=C\c2ccsc2)C1 ZINC000308374970 355385702 /nfs/dbraw/zinc/38/57/02/355385702.db2.gz WIFHACRODKDRPK-IRSQKABVSA-N 1 0 207.342 3.149 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](/C=C\c2ccsc2)C1 ZINC000308374971 350673937 /nfs/dbraw/zinc/67/39/37/350673937.db2.gz WIFHACRODKDRPK-UVWWULRDSA-N 1 0 207.342 3.149 10 0 BGAERO CC[C@H]([NH2+]CCCSC)C(C)(C)C ZINC000308400287 386021778 /nfs/dbraw/zinc/02/17/78/386021778.db2.gz GSIUMWSJBLEQQM-JTQLQIEISA-N 1 0 203.395 3.154 10 0 BGAERO CC[C@@H]([NH2+]CCCSC)C(C)(C)C ZINC000308400288 170894890 /nfs/dbraw/zinc/89/48/90/170894890.db2.gz GSIUMWSJBLEQQM-SNVBAGLBSA-N 1 0 203.395 3.154 10 0 BGAERO C/C(=C/c1cc(Cl)ccc1F)[C@@H](C)[NH3+] ZINC000308410963 355516813 /nfs/dbraw/zinc/51/68/13/355516813.db2.gz FBHNTOGPUJWDJT-GRKOMRHMSA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C/c1cc(Cl)ccc1F)[C@H](C)[NH3+] ZINC000308410964 350698487 /nfs/dbraw/zinc/69/84/87/350698487.db2.gz FBHNTOGPUJWDJT-TVSKSKRASA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C\C[NH3+])c1cc2ccccc2s1 ZINC000308414095 350698724 /nfs/dbraw/zinc/69/87/24/350698724.db2.gz GHQFSLNFBFHAGS-RMKNXTFCSA-N 1 0 203.310 3.263 10 0 BGAERO C[NH2+]C/C(C)=C\c1ccc(Cl)cc1C ZINC000308437184 355581489 /nfs/dbraw/zinc/58/14/89/355581489.db2.gz RXKKDUKCFFOVMY-TWGQIWQCSA-N 1 0 209.720 3.271 10 0 BGAERO Cc1ccc(C[NH3+])cc1-c1ccc2c(c1)OCC2 ZINC000308439124 631334496 /nfs/dbraw/zinc/33/44/96/631334496.db2.gz CAMCYSALAJFFCY-UHFFFAOYSA-N 1 0 239.318 3.056 10 0 BGAERO Cc1cc(-c2ccc3c(c2)OCC3)ccc1C[NH3+] ZINC000308441324 631347582 /nfs/dbraw/zinc/34/75/82/631347582.db2.gz FNXBJWOFKMZISQ-UHFFFAOYSA-N 1 0 239.318 3.056 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-c2ccc3c(c2)OCC3)cc1 ZINC000308449370 633727089 /nfs/dbraw/zinc/72/70/89/633727089.db2.gz PGMCVAFSOFRKTR-LLVKDONJSA-N 1 0 239.318 3.308 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2ccc3c(c2)OCC3)cc1 ZINC000308449371 711529006 /nfs/dbraw/zinc/52/90/06/711529006.db2.gz PGMCVAFSOFRKTR-NSHDSACASA-N 1 0 239.318 3.308 10 0 BGAERO Cc1cc(C[NH3+])ccc1-c1ccc2c(c1)OCC2 ZINC000308453163 631348161 /nfs/dbraw/zinc/34/81/61/631348161.db2.gz UDMLZDQJWCZCGL-UHFFFAOYSA-N 1 0 239.318 3.056 10 0 BGAERO C[NH2+]C/C(C)=C\c1ccc(C)c(Cl)c1 ZINC000308484423 342838122 /nfs/dbraw/zinc/83/81/22/342838122.db2.gz KXGGVUHJALOTJM-TWGQIWQCSA-N 1 0 209.720 3.271 10 0 BGAERO CC(C)CC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000308490683 527743770 /nfs/dbraw/zinc/74/37/70/527743770.db2.gz BKUYIIYLZFRDQB-NEPJUHHUSA-N 1 0 201.329 3.150 10 0 BGAERO CC(C)CC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000308490684 527741583 /nfs/dbraw/zinc/74/15/83/527741583.db2.gz BKUYIIYLZFRDQB-NWDGAFQWSA-N 1 0 201.329 3.150 10 0 BGAERO CC(C)CC[NH2+][C@H]1CCC[C@H]1CCF ZINC000308490685 527743355 /nfs/dbraw/zinc/74/33/55/527743355.db2.gz BKUYIIYLZFRDQB-RYUDHWBXSA-N 1 0 201.329 3.150 10 0 BGAERO CC(C)CC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000308490686 527742290 /nfs/dbraw/zinc/74/22/90/527742290.db2.gz BKUYIIYLZFRDQB-VXGBXAGGSA-N 1 0 201.329 3.150 10 0 BGAERO CC[C@@H]([NH2+]C1CC(F)(F)C1)C(C)(C)C ZINC000308506402 363071657 /nfs/dbraw/zinc/07/16/57/363071657.db2.gz IWEFJBIAABDRNP-SECBINFHSA-N 1 0 205.292 3.198 10 0 BGAERO CC[C@H]([NH2+]C1CC(F)(F)C1)C(C)(C)C ZINC000308506404 363071512 /nfs/dbraw/zinc/07/15/12/363071512.db2.gz IWEFJBIAABDRNP-VIFPVBQESA-N 1 0 205.292 3.198 10 0 BGAERO C/C(=C\CC[NH3+])c1c(F)cccc1Cl ZINC000308514476 342852914 /nfs/dbraw/zinc/85/29/14/342852914.db2.gz DQKZLWXQCACFNO-XBXARRHUSA-N 1 0 213.683 3.231 10 0 BGAERO CC1CCC(C[NH2+]CCCCF)CC1 ZINC000308547265 384798081 /nfs/dbraw/zinc/79/80/81/384798081.db2.gz QCVXRNDHDHRRSV-UHFFFAOYSA-N 1 0 201.329 3.152 10 0 BGAERO CCC(C)(C)OCC[NH2+]CCc1ccccc1 ZINC000308547454 631423631 /nfs/dbraw/zinc/42/36/31/631423631.db2.gz QGSHMSWCNYEXDV-UHFFFAOYSA-N 1 0 235.371 3.024 10 0 BGAERO CCC[C@@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000308567424 347872156 /nfs/dbraw/zinc/87/21/56/347872156.db2.gz BCBFJBFUSHTOEC-MRVPVSSYSA-N 1 0 211.271 3.353 10 0 BGAERO CCC[C@H](C)[NH2+]CC(C)(C)C(F)(F)F ZINC000308567433 347872086 /nfs/dbraw/zinc/87/20/86/347872086.db2.gz BCBFJBFUSHTOEC-QMMMGPOBSA-N 1 0 211.271 3.353 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCS[C@H]1C)C(C)(C)C ZINC000308593845 491137329 /nfs/dbraw/zinc/13/73/29/491137329.db2.gz LMPNYTHURAZUPU-AXFHLTTASA-N 1 0 215.406 3.295 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCS[C@H]1C)C(C)(C)C ZINC000308593846 491137306 /nfs/dbraw/zinc/13/73/06/491137306.db2.gz LMPNYTHURAZUPU-DCAQKATOSA-N 1 0 215.406 3.295 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCS[C@@H]1C)C(C)(C)C ZINC000308593847 491137326 /nfs/dbraw/zinc/13/73/26/491137326.db2.gz LMPNYTHURAZUPU-MXWKQRLJSA-N 1 0 215.406 3.295 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCS[C@@H]1C)C(C)(C)C ZINC000308593848 491137301 /nfs/dbraw/zinc/13/73/01/491137301.db2.gz LMPNYTHURAZUPU-VWYCJHECSA-N 1 0 215.406 3.295 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCSC1 ZINC000308601098 135424119 /nfs/dbraw/zinc/42/41/19/135424119.db2.gz OIECPSHEJKHWLF-GRYCIOLGSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCSC1 ZINC000308601104 384856066 /nfs/dbraw/zinc/85/60/66/384856066.db2.gz OIECPSHEJKHWLF-IJLUTSLNSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCSC1 ZINC000308601110 384856099 /nfs/dbraw/zinc/85/60/99/384856099.db2.gz OIECPSHEJKHWLF-UTUOFQBUSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCSC1 ZINC000308601117 384855739 /nfs/dbraw/zinc/85/57/39/384855739.db2.gz OIECPSHEJKHWLF-WOPDTQHZSA-N 1 0 213.390 3.050 10 0 BGAERO C[C@@H]([NH3+])/C(F)=C/CCCc1ccccc1 ZINC000308686770 370149662 /nfs/dbraw/zinc/14/96/62/370149662.db2.gz NBEOKPXNWDPQQT-COVOJHCQSA-N 1 0 207.292 3.210 10 0 BGAERO C[C@H]([NH3+])/C(F)=C/CCCc1ccccc1 ZINC000308686771 370149600 /nfs/dbraw/zinc/14/96/00/370149600.db2.gz NBEOKPXNWDPQQT-KBICQTFXSA-N 1 0 207.292 3.210 10 0 BGAERO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000308717886 488216620 /nfs/dbraw/zinc/21/66/20/488216620.db2.gz YJWDWWWQNOKCIN-BARDWOONSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000308717887 488216679 /nfs/dbraw/zinc/21/66/79/488216679.db2.gz YJWDWWWQNOKCIN-KBXIAJHMSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000308717888 488216517 /nfs/dbraw/zinc/21/65/17/488216517.db2.gz YJWDWWWQNOKCIN-QPSCCSFWSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1CCCC[C@]1(C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000308717889 488217294 /nfs/dbraw/zinc/21/72/94/488217294.db2.gz YJWDWWWQNOKCIN-TUVASFSCSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@@H]([NH2+]CCC(F)(F)F)C(C)(C)C ZINC000308749026 529160094 /nfs/dbraw/zinc/16/00/94/529160094.db2.gz STUHNLCNRYANPF-MRVPVSSYSA-N 1 0 211.271 3.353 10 0 BGAERO CC[C@H]([NH2+]CCC(F)(F)F)C(C)(C)C ZINC000308749030 529595074 /nfs/dbraw/zinc/59/50/74/529595074.db2.gz STUHNLCNRYANPF-QMMMGPOBSA-N 1 0 211.271 3.353 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000308768167 370163053 /nfs/dbraw/zinc/16/30/53/370163053.db2.gz TYJOYEJXXLFAPA-CYBMUJFWSA-N 1 0 239.403 3.120 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)C1=CCCC1 ZINC000308768168 370163289 /nfs/dbraw/zinc/16/32/89/370163289.db2.gz TYJOYEJXXLFAPA-ZDUSSCGKSA-N 1 0 239.403 3.120 10 0 BGAERO CC(C)(C[NH2+][C@@H]1CCCC[C@H]1O)C1=CCCC1 ZINC000308768772 346910448 /nfs/dbraw/zinc/91/04/48/346910448.db2.gz VQSSLLPJWIUEBP-ZIAGYGMSSA-N 1 0 237.387 3.016 10 0 BGAERO C[C@@H]([NH2+][C@@H]1C[C@H]1C)C1CCC(F)(F)CC1 ZINC000308826451 385195673 /nfs/dbraw/zinc/19/56/73/385195673.db2.gz AISNKHQXIOBEIK-FXPVBKGRSA-N 1 0 217.303 3.198 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)C1CCC(F)(F)CC1 ZINC000308826456 385195407 /nfs/dbraw/zinc/19/54/07/385195407.db2.gz AISNKHQXIOBEIK-KKZNHRDASA-N 1 0 217.303 3.198 10 0 BGAERO C[C@H]([NH2+][C@@H]1C[C@H]1C)C1CCC(F)(F)CC1 ZINC000308826460 385195681 /nfs/dbraw/zinc/19/56/81/385195681.db2.gz AISNKHQXIOBEIK-WCABBAIRSA-N 1 0 217.303 3.198 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)C1CCC(F)(F)CC1 ZINC000308826466 384322671 /nfs/dbraw/zinc/32/26/71/384322671.db2.gz AISNKHQXIOBEIK-YWVKMMECSA-N 1 0 217.303 3.198 10 0 BGAERO C[C@H](C[NH2+][C@@H]1CCC[C@H]1CCF)C1CC1 ZINC000308830997 491048990 /nfs/dbraw/zinc/04/89/90/491048990.db2.gz GFKBIOHEDYDILZ-KGYLQXTDSA-N 1 0 213.340 3.150 10 0 BGAERO C[C@H](C[NH2+][C@@H]1CCC[C@@H]1CCF)C1CC1 ZINC000308830999 491138573 /nfs/dbraw/zinc/13/85/73/491138573.db2.gz GFKBIOHEDYDILZ-RAIGVLPGSA-N 1 0 213.340 3.150 10 0 BGAERO C[C@H](C[NH2+][C@H]1CCC[C@@H]1CCF)C1CC1 ZINC000308831002 491138507 /nfs/dbraw/zinc/13/85/07/491138507.db2.gz GFKBIOHEDYDILZ-RTXFEEFZSA-N 1 0 213.340 3.150 10 0 BGAERO C[C@H](C[NH2+][C@H]1CCC[C@H]1CCF)C1CC1 ZINC000308831004 491138588 /nfs/dbraw/zinc/13/85/88/491138588.db2.gz GFKBIOHEDYDILZ-WXHSDQCUSA-N 1 0 213.340 3.150 10 0 BGAERO CC(C)c1ccccc1C[NH2+]C1CCC1 ZINC000308841896 348772630 /nfs/dbraw/zinc/77/26/30/348772630.db2.gz KLDUBFLNGFJEMD-UHFFFAOYSA-N 1 0 203.329 3.452 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000308845730 528380459 /nfs/dbraw/zinc/38/04/59/528380459.db2.gz ACAVWDBXIQFQJN-AAEUAGOBSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000308845731 527763951 /nfs/dbraw/zinc/76/39/51/527763951.db2.gz ACAVWDBXIQFQJN-DGCLKSJQSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]C1CCSCC1 ZINC000308845732 528383869 /nfs/dbraw/zinc/38/38/69/528383869.db2.gz ACAVWDBXIQFQJN-WCQYABFASA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C1CCSCC1 ZINC000308845733 527756989 /nfs/dbraw/zinc/75/69/89/527756989.db2.gz ACAVWDBXIQFQJN-YPMHNXCESA-N 1 0 227.417 3.440 10 0 BGAERO CC[C@@H]([NH2+]CCCOC(F)F)C(C)(C)C ZINC000308846084 170894913 /nfs/dbraw/zinc/89/49/13/170894913.db2.gz AGDKHVZGPUTYJV-SECBINFHSA-N 1 0 223.307 3.030 10 0 BGAERO CC[C@H]([NH2+]CCCOC(F)F)C(C)(C)C ZINC000308846086 385207969 /nfs/dbraw/zinc/20/79/69/385207969.db2.gz AGDKHVZGPUTYJV-VIFPVBQESA-N 1 0 223.307 3.030 10 0 BGAERO CC(C)OC[C@@H](C)[NH2+][C@H](C)c1cccs1 ZINC000308850490 167258731 /nfs/dbraw/zinc/25/87/31/167258731.db2.gz OCHVRSYXVYUYNI-GHMZBOCLSA-N 1 0 227.373 3.212 10 0 BGAERO CC(C)OC[C@@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000308850493 167256364 /nfs/dbraw/zinc/25/63/64/167256364.db2.gz OCHVRSYXVYUYNI-MNOVXSKESA-N 1 0 227.373 3.212 10 0 BGAERO CC(C)OC[C@H](C)[NH2+][C@@H](C)c1cccs1 ZINC000308850495 167265690 /nfs/dbraw/zinc/26/56/90/167265690.db2.gz OCHVRSYXVYUYNI-QWRGUYRKSA-N 1 0 227.373 3.212 10 0 BGAERO CC(C)OC[C@H](C)[NH2+][C@H](C)c1cccs1 ZINC000308850496 167266891 /nfs/dbraw/zinc/26/68/91/167266891.db2.gz OCHVRSYXVYUYNI-WDEREUQCSA-N 1 0 227.373 3.212 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC=CCC1 ZINC000308862273 385232099 /nfs/dbraw/zinc/23/20/99/385232099.db2.gz BYZPCUBAVAKKPF-AVGNSLFASA-N 1 0 211.324 3.213 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC=CCC1 ZINC000308862275 180937013 /nfs/dbraw/zinc/93/70/13/180937013.db2.gz BYZPCUBAVAKKPF-RWMBFGLXSA-N 1 0 211.324 3.213 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC=CCC1 ZINC000308862277 385230161 /nfs/dbraw/zinc/23/01/61/385230161.db2.gz BYZPCUBAVAKKPF-XQQFMLRXSA-N 1 0 211.324 3.213 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC=CCC1 ZINC000308862279 385231110 /nfs/dbraw/zinc/23/11/10/385231110.db2.gz BYZPCUBAVAKKPF-YNEHKIRRSA-N 1 0 211.324 3.213 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000308883986 533742401 /nfs/dbraw/zinc/74/24/01/533742401.db2.gz DXQYMVGPKCKUJS-AGIUHOORSA-N 1 0 207.361 3.487 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000308883988 533742183 /nfs/dbraw/zinc/74/21/83/533742183.db2.gz DXQYMVGPKCKUJS-FRRDWIJNSA-N 1 0 207.361 3.487 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CCCCC12CCCC2 ZINC000308883990 534043779 /nfs/dbraw/zinc/04/37/79/534043779.db2.gz DXQYMVGPKCKUJS-JHJVBQTASA-N 1 0 207.361 3.487 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CCCCC12CCCC2 ZINC000308883992 534044798 /nfs/dbraw/zinc/04/47/98/534044798.db2.gz DXQYMVGPKCKUJS-UPJWGTAASA-N 1 0 207.361 3.487 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CC1CCCC1 ZINC000308888492 229255467 /nfs/dbraw/zinc/25/54/67/229255467.db2.gz VJIUFMDZZJPVFH-CHWSQXEVSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CC1CCCC1 ZINC000308888493 229255736 /nfs/dbraw/zinc/25/57/36/229255736.db2.gz VJIUFMDZZJPVFH-OLZOCXBDSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CC1CCCC1 ZINC000308888494 229255471 /nfs/dbraw/zinc/25/54/71/229255471.db2.gz VJIUFMDZZJPVFH-QWHCGFSZSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCCC1 ZINC000308888495 229255580 /nfs/dbraw/zinc/25/55/80/229255580.db2.gz VJIUFMDZZJPVFH-STQMWFEESA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CCCC1CC1 ZINC000308889448 346928761 /nfs/dbraw/zinc/92/87/61/346928761.db2.gz VYMLJGIOKWOOON-CHWSQXEVSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCCC1CC1 ZINC000308889449 346928685 /nfs/dbraw/zinc/92/86/85/346928685.db2.gz VYMLJGIOKWOOON-OLZOCXBDSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCCC1CC1 ZINC000308889450 346929139 /nfs/dbraw/zinc/92/91/39/346929139.db2.gz VYMLJGIOKWOOON-QWHCGFSZSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCCC1CC1 ZINC000308889451 349023771 /nfs/dbraw/zinc/02/37/71/349023771.db2.gz VYMLJGIOKWOOON-STQMWFEESA-N 1 0 213.340 3.295 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1c[nH]c2ccccc21 ZINC000308894123 342875610 /nfs/dbraw/zinc/87/56/10/342875610.db2.gz RVDMXWHLTNRWJA-NOZJJQNGSA-N 1 0 202.301 3.214 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1c[nH]c2ccccc21 ZINC000308894124 342875539 /nfs/dbraw/zinc/87/55/39/342875539.db2.gz RVDMXWHLTNRWJA-RNCFNFMXSA-N 1 0 202.301 3.214 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1c[nH]c2ccccc21 ZINC000308894125 342875606 /nfs/dbraw/zinc/87/56/06/342875606.db2.gz RVDMXWHLTNRWJA-TVQRCGJNSA-N 1 0 202.301 3.214 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1c[nH]c2ccccc21 ZINC000308894126 346930065 /nfs/dbraw/zinc/93/00/65/346930065.db2.gz RVDMXWHLTNRWJA-ZANVPECISA-N 1 0 202.301 3.214 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1CSCCS1)C(C)(C)C ZINC000308902349 632114746 /nfs/dbraw/zinc/11/47/46/632114746.db2.gz BOXHAMBUEQZOQR-GHMZBOCLSA-N 1 0 247.473 3.249 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CSCCS1)C(C)(C)C ZINC000308902352 632114302 /nfs/dbraw/zinc/11/43/02/632114302.db2.gz BOXHAMBUEQZOQR-MNOVXSKESA-N 1 0 247.473 3.249 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CSCCS1)C(C)(C)C ZINC000308902356 631722692 /nfs/dbraw/zinc/72/26/92/631722692.db2.gz BOXHAMBUEQZOQR-QWRGUYRKSA-N 1 0 247.473 3.249 10 0 BGAERO CC[C@@H]([NH2+]C[C@H]1CSCCS1)C(C)(C)C ZINC000308902359 632114988 /nfs/dbraw/zinc/11/49/88/632114988.db2.gz BOXHAMBUEQZOQR-WDEREUQCSA-N 1 0 247.473 3.249 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000308910969 527763553 /nfs/dbraw/zinc/76/35/53/527763553.db2.gz DQZIUUSYWRHNJP-NXEZZACHSA-N 1 0 223.282 3.497 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000308910970 528381004 /nfs/dbraw/zinc/38/10/04/528381004.db2.gz DQZIUUSYWRHNJP-UWVGGRQHSA-N 1 0 223.282 3.497 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000308910971 528383579 /nfs/dbraw/zinc/38/35/79/528383579.db2.gz DQZIUUSYWRHNJP-VHSXEESVSA-N 1 0 223.282 3.497 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000308910972 527756687 /nfs/dbraw/zinc/75/66/87/527756687.db2.gz DQZIUUSYWRHNJP-ZJUUUORDSA-N 1 0 223.282 3.497 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccoc1 ZINC000308919626 385291474 /nfs/dbraw/zinc/29/14/74/385291474.db2.gz GTUPHAJOQLRAJE-CHWSQXEVSA-N 1 0 207.317 3.338 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000308919630 385292618 /nfs/dbraw/zinc/29/26/18/385292618.db2.gz GTUPHAJOQLRAJE-OLZOCXBDSA-N 1 0 207.317 3.338 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccoc1 ZINC000308919633 385291601 /nfs/dbraw/zinc/29/16/01/385291601.db2.gz GTUPHAJOQLRAJE-QWHCGFSZSA-N 1 0 207.317 3.338 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccoc1 ZINC000308919636 385292907 /nfs/dbraw/zinc/29/29/07/385292907.db2.gz GTUPHAJOQLRAJE-STQMWFEESA-N 1 0 207.317 3.338 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000308921173 385295038 /nfs/dbraw/zinc/29/50/38/385295038.db2.gz HCTWCCMLTFQFFY-AAEUAGOBSA-N 1 0 207.317 3.338 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccco1 ZINC000308921174 385294432 /nfs/dbraw/zinc/29/44/32/385294432.db2.gz HCTWCCMLTFQFFY-DGCLKSJQSA-N 1 0 207.317 3.338 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccco1 ZINC000308921175 385293860 /nfs/dbraw/zinc/29/38/60/385293860.db2.gz HCTWCCMLTFQFFY-WCQYABFASA-N 1 0 207.317 3.338 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccco1 ZINC000308921176 169419438 /nfs/dbraw/zinc/41/94/38/169419438.db2.gz HCTWCCMLTFQFFY-YPMHNXCESA-N 1 0 207.317 3.338 10 0 BGAERO CC[C@@H]([NH2+]CC(C)(C)COC)C(C)(C)C ZINC000308936449 529155161 /nfs/dbraw/zinc/15/51/61/529155161.db2.gz KWRGPDIIRVEMAT-LLVKDONJSA-N 1 0 215.381 3.073 10 0 BGAERO CC[C@H]([NH2+]CC(C)(C)COC)C(C)(C)C ZINC000308936451 529589884 /nfs/dbraw/zinc/58/98/84/529589884.db2.gz KWRGPDIIRVEMAT-NSHDSACASA-N 1 0 215.381 3.073 10 0 BGAERO CC[C@@H]([NH2+][C@@H](COC)CC(C)C)C(C)C ZINC000308938452 529201588 /nfs/dbraw/zinc/20/15/88/529201588.db2.gz LNZMZTLHMIBZED-CHWSQXEVSA-N 1 0 215.381 3.072 10 0 BGAERO CC[C@H]([NH2+][C@@H](COC)CC(C)C)C(C)C ZINC000308938454 529655451 /nfs/dbraw/zinc/65/54/51/529655451.db2.gz LNZMZTLHMIBZED-OLZOCXBDSA-N 1 0 215.381 3.072 10 0 BGAERO CC[C@@H]([NH2+][C@H](COC)CC(C)C)C(C)C ZINC000308938456 529206881 /nfs/dbraw/zinc/20/68/81/529206881.db2.gz LNZMZTLHMIBZED-QWHCGFSZSA-N 1 0 215.381 3.072 10 0 BGAERO CC[C@H]([NH2+][C@H](COC)CC(C)C)C(C)C ZINC000308938458 529669186 /nfs/dbraw/zinc/66/91/86/529669186.db2.gz LNZMZTLHMIBZED-STQMWFEESA-N 1 0 215.381 3.072 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCS1 ZINC000308954337 527756820 /nfs/dbraw/zinc/75/68/20/527756820.db2.gz QCGKJWQICWILEW-AGIUHOORSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCS1 ZINC000308954339 527764058 /nfs/dbraw/zinc/76/40/58/527764058.db2.gz QCGKJWQICWILEW-FRRDWIJNSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCS1 ZINC000308954342 527763568 /nfs/dbraw/zinc/76/35/68/527763568.db2.gz QCGKJWQICWILEW-JHJVBQTASA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCS1 ZINC000308954344 527756758 /nfs/dbraw/zinc/75/67/58/527756758.db2.gz QCGKJWQICWILEW-UPJWGTAASA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCSC1 ZINC000308969194 527758515 /nfs/dbraw/zinc/75/85/15/527758515.db2.gz XZDGVDDMWSDLMG-AGIUHOORSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCSC1 ZINC000308969195 527765197 /nfs/dbraw/zinc/76/51/97/527765197.db2.gz XZDGVDDMWSDLMG-FRRDWIJNSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCSC1 ZINC000308969196 527763194 /nfs/dbraw/zinc/76/31/94/527763194.db2.gz XZDGVDDMWSDLMG-JHJVBQTASA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCSC1 ZINC000308969197 527756977 /nfs/dbraw/zinc/75/69/77/527756977.db2.gz XZDGVDDMWSDLMG-UPJWGTAASA-N 1 0 227.417 3.440 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C2CSC2)cc1C ZINC000308977648 491141707 /nfs/dbraw/zinc/14/17/07/491141707.db2.gz HCERVJIEDVVHBE-LLVKDONJSA-N 1 0 221.369 3.069 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C2CSC2)cc1C ZINC000308977653 491141755 /nfs/dbraw/zinc/14/17/55/491141755.db2.gz HCERVJIEDVVHBE-NSHDSACASA-N 1 0 221.369 3.069 10 0 BGAERO CC1(C)C([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1(C)C ZINC000308986443 349267069 /nfs/dbraw/zinc/26/70/69/349267069.db2.gz UPKOPLXCBGUESY-HBNTYKKESA-N 1 0 207.361 3.199 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000308989798 491141896 /nfs/dbraw/zinc/14/18/96/491141896.db2.gz KVKMXOHDFUXNQC-SECBINFHSA-N 1 0 224.373 3.155 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1scnc1C1CC1 ZINC000308989799 491141928 /nfs/dbraw/zinc/14/19/28/491141928.db2.gz KVKMXOHDFUXNQC-VIFPVBQESA-N 1 0 224.373 3.155 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000308998533 176426558 /nfs/dbraw/zinc/42/65/58/176426558.db2.gz KPKSYIOWDYMNPG-JYILRKAJSA-N 1 0 201.313 3.233 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000308998535 385331783 /nfs/dbraw/zinc/33/17/83/385331783.db2.gz KPKSYIOWDYMNPG-MHWZDGSBSA-N 1 0 201.313 3.233 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000308998536 177350211 /nfs/dbraw/zinc/35/02/11/177350211.db2.gz KPKSYIOWDYMNPG-OAACRXHESA-N 1 0 201.313 3.233 10 0 BGAERO C[C@H]1C[C@H]1[NH2+][C@H]1C[C@@H](C)c2ccccc21 ZINC000308998537 177386390 /nfs/dbraw/zinc/38/63/90/177386390.db2.gz KPKSYIOWDYMNPG-QOBDMFJFSA-N 1 0 201.313 3.233 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C2CSC2)c(C)c1 ZINC000309008709 491142256 /nfs/dbraw/zinc/14/22/56/491142256.db2.gz QYCCEGZQAUQIBV-LLVKDONJSA-N 1 0 221.369 3.069 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C2CSC2)c(C)c1 ZINC000309008710 491142218 /nfs/dbraw/zinc/14/22/18/491142218.db2.gz QYCCEGZQAUQIBV-NSHDSACASA-N 1 0 221.369 3.069 10 0 BGAERO C[C@@H](NC/C(Cl)=C/Cl)c1cncc(F)c1 ZINC000309015293 631801031 /nfs/dbraw/zinc/80/10/31/631801031.db2.gz UFAHNTGMPKKFGC-LVWLXAFTSA-N 1 0 249.116 3.190 10 0 BGAERO C[C@@H](NC/C(Cl)=C\Cl)c1cncc(F)c1 ZINC000309015297 631800364 /nfs/dbraw/zinc/80/03/64/631800364.db2.gz UFAHNTGMPKKFGC-WGJZWELTSA-N 1 0 249.116 3.190 10 0 BGAERO C[C@@H]([NH2+]C1CC(C(F)F)C1)c1cccs1 ZINC000309025610 631806437 /nfs/dbraw/zinc/80/64/37/631806437.db2.gz ZSDKEYVSHLYCJN-AFPNSQJFSA-N 1 0 231.311 3.442 10 0 BGAERO C[C@H]([NH2+]C1CC(C(F)F)C1)c1cccs1 ZINC000309025611 631806055 /nfs/dbraw/zinc/80/60/55/631806055.db2.gz ZSDKEYVSHLYCJN-UEJVZZJDSA-N 1 0 231.311 3.442 10 0 BGAERO CCCc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000309031149 349318135 /nfs/dbraw/zinc/31/81/35/349318135.db2.gz DXZGBLRQMFYOTR-BXUZGUMPSA-N 1 0 203.329 3.137 10 0 BGAERO CCCc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000309031150 349317902 /nfs/dbraw/zinc/31/79/02/349317902.db2.gz DXZGBLRQMFYOTR-FZMZJTMJSA-N 1 0 203.329 3.137 10 0 BGAERO CCCc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000309031151 349318141 /nfs/dbraw/zinc/31/81/41/349318141.db2.gz DXZGBLRQMFYOTR-RISCZKNCSA-N 1 0 203.329 3.137 10 0 BGAERO CCCc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000309031152 349318110 /nfs/dbraw/zinc/31/81/10/349318110.db2.gz DXZGBLRQMFYOTR-SMDDNHRTSA-N 1 0 203.329 3.137 10 0 BGAERO CCCc1cccc(C[NH2+][C@@H]2C[C@H]2C)c1 ZINC000309032451 528637121 /nfs/dbraw/zinc/63/71/21/528637121.db2.gz FROFCVOBDUJCSF-BXUZGUMPSA-N 1 0 203.329 3.137 10 0 BGAERO CCCc1cccc(C[NH2+][C@H]2C[C@@H]2C)c1 ZINC000309032452 528639032 /nfs/dbraw/zinc/63/90/32/528639032.db2.gz FROFCVOBDUJCSF-FZMZJTMJSA-N 1 0 203.329 3.137 10 0 BGAERO CCCc1cccc(C[NH2+][C@H]2C[C@H]2C)c1 ZINC000309032453 528638164 /nfs/dbraw/zinc/63/81/64/528638164.db2.gz FROFCVOBDUJCSF-RISCZKNCSA-N 1 0 203.329 3.137 10 0 BGAERO CCCc1cccc(C[NH2+][C@@H]2C[C@@H]2C)c1 ZINC000309032454 528637049 /nfs/dbraw/zinc/63/70/49/528637049.db2.gz FROFCVOBDUJCSF-SMDDNHRTSA-N 1 0 203.329 3.137 10 0 BGAERO CCc1cccc(Cl)c1C[NH2+][C@@H]1C[C@H]1C ZINC000309033688 529172761 /nfs/dbraw/zinc/17/27/61/529172761.db2.gz GSOXAUFQBRUMRM-NOZJJQNGSA-N 1 0 223.747 3.400 10 0 BGAERO CCc1cccc(Cl)c1C[NH2+][C@H]1C[C@H]1C ZINC000309033689 529172359 /nfs/dbraw/zinc/17/23/59/529172359.db2.gz GSOXAUFQBRUMRM-RNCFNFMXSA-N 1 0 223.747 3.400 10 0 BGAERO CCc1cccc(Cl)c1C[NH2+][C@@H]1C[C@@H]1C ZINC000309033690 529172286 /nfs/dbraw/zinc/17/22/86/529172286.db2.gz GSOXAUFQBRUMRM-TVQRCGJNSA-N 1 0 223.747 3.400 10 0 BGAERO CCc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H]1C ZINC000309033691 529172388 /nfs/dbraw/zinc/17/23/88/529172388.db2.gz GSOXAUFQBRUMRM-ZANVPECISA-N 1 0 223.747 3.400 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C2CSC2)cc1 ZINC000309035905 491143017 /nfs/dbraw/zinc/14/30/17/491143017.db2.gz IARDPGRQPXXSJA-JTQLQIEISA-N 1 0 221.369 3.015 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]C2CSC2)cc1 ZINC000309035906 491143041 /nfs/dbraw/zinc/14/30/41/491143041.db2.gz IARDPGRQPXXSJA-SNVBAGLBSA-N 1 0 221.369 3.015 10 0 BGAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@H]1c1cccc(F)c1 ZINC000309057112 538110142 /nfs/dbraw/zinc/11/01/42/538110142.db2.gz WMASHPWDCGULNR-CUOATXAZSA-N 1 0 219.303 3.070 10 0 BGAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@H]1c1cccc(F)c1 ZINC000309057113 538110197 /nfs/dbraw/zinc/11/01/97/538110197.db2.gz WMASHPWDCGULNR-FZZIBODNSA-N 1 0 219.303 3.070 10 0 BGAERO C([NH2+]C[C@@H]1C[C@H]1C1CCCCC1)C1CC1 ZINC000309074637 323226152 /nfs/dbraw/zinc/22/61/52/323226152.db2.gz IWBZICPOUBPEMP-KBPBESRZSA-N 1 0 207.361 3.202 10 0 BGAERO CC(C)=CCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309075443 527408058 /nfs/dbraw/zinc/40/80/58/527408058.db2.gz JUHTWDVBUMKKJP-CHWSQXEVSA-N 1 0 213.340 3.461 10 0 BGAERO CC(C)=CCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309075444 527408666 /nfs/dbraw/zinc/40/86/66/527408666.db2.gz JUHTWDVBUMKKJP-OLZOCXBDSA-N 1 0 213.340 3.461 10 0 BGAERO CC(C)=CCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309075445 527408472 /nfs/dbraw/zinc/40/84/72/527408472.db2.gz JUHTWDVBUMKKJP-QWHCGFSZSA-N 1 0 213.340 3.461 10 0 BGAERO CC(C)=CCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000309075446 527408456 /nfs/dbraw/zinc/40/84/56/527408456.db2.gz JUHTWDVBUMKKJP-STQMWFEESA-N 1 0 213.340 3.461 10 0 BGAERO CC(C)=CCC[NH2+]CCc1ccccc1 ZINC000309084188 711588839 /nfs/dbraw/zinc/58/88/39/711588839.db2.gz UXLQRDCEEFWGTL-UHFFFAOYSA-N 1 0 203.329 3.175 10 0 BGAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000309084474 385411071 /nfs/dbraw/zinc/41/10/71/385411071.db2.gz VKYQWBWUNCXABD-CKYFFXLPSA-N 1 0 225.357 3.133 10 0 BGAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309084475 385410983 /nfs/dbraw/zinc/41/09/83/385410983.db2.gz VKYQWBWUNCXABD-HOSYDEDBSA-N 1 0 225.357 3.133 10 0 BGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309084476 385411099 /nfs/dbraw/zinc/41/10/99/385411099.db2.gz VKYQWBWUNCXABD-JBLDHEPKSA-N 1 0 225.357 3.133 10 0 BGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000309084477 385410893 /nfs/dbraw/zinc/41/08/93/385410893.db2.gz VKYQWBWUNCXABD-JFGNBEQYSA-N 1 0 225.357 3.133 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000309091358 527832076 /nfs/dbraw/zinc/83/20/76/527832076.db2.gz CEYOEQZGZFSXBK-MQYQWHSLSA-N 1 0 207.361 3.343 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000309091360 527831772 /nfs/dbraw/zinc/83/17/72/527831772.db2.gz CEYOEQZGZFSXBK-RFGFWPKPSA-N 1 0 207.361 3.343 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000309091361 527831488 /nfs/dbraw/zinc/83/14/88/527831488.db2.gz CEYOEQZGZFSXBK-RQJABVFESA-N 1 0 207.361 3.343 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000309091362 527831337 /nfs/dbraw/zinc/83/13/37/527831337.db2.gz CEYOEQZGZFSXBK-SYQHCUMBSA-N 1 0 207.361 3.343 10 0 BGAERO CC1CCC(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)CC1 ZINC000309105661 487649763 /nfs/dbraw/zinc/64/97/63/487649763.db2.gz HUOUBQFGAINLRP-TWASESMYSA-N 1 0 207.361 3.201 10 0 BGAERO CC1(CC[NH2+]CCc2ccccc2)CC1 ZINC000309116717 631888804 /nfs/dbraw/zinc/88/88/04/631888804.db2.gz LWSMLQYWZRHJEX-UHFFFAOYSA-N 1 0 203.329 3.009 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000309118644 176234106 /nfs/dbraw/zinc/23/41/06/176234106.db2.gz MOVKBIDXBAGQGE-FVCCEPFGSA-N 1 0 213.340 3.293 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000309118647 176234320 /nfs/dbraw/zinc/23/43/20/176234320.db2.gz MOVKBIDXBAGQGE-MROQNXINSA-N 1 0 213.340 3.293 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000309118648 176234120 /nfs/dbraw/zinc/23/41/20/176234120.db2.gz MOVKBIDXBAGQGE-NDBYEHHHSA-N 1 0 213.340 3.293 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000309118651 176234352 /nfs/dbraw/zinc/23/43/52/176234352.db2.gz MOVKBIDXBAGQGE-VOAKCMCISA-N 1 0 213.340 3.293 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCF ZINC000309119067 346968137 /nfs/dbraw/zinc/96/81/37/346968137.db2.gz MTJGJLJJSSGARV-SRVKXCTJSA-N 1 0 213.340 3.293 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309119070 346967743 /nfs/dbraw/zinc/96/77/43/346967743.db2.gz MTJGJLJJSSGARV-TUAOUCFPSA-N 1 0 213.340 3.293 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309119072 167936688 /nfs/dbraw/zinc/93/66/88/167936688.db2.gz MTJGJLJJSSGARV-UTUOFQBUSA-N 1 0 213.340 3.293 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309119074 346967914 /nfs/dbraw/zinc/96/79/14/346967914.db2.gz MTJGJLJJSSGARV-WOPDTQHZSA-N 1 0 213.340 3.293 10 0 BGAERO CC1(CC[NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000309120709 168022661 /nfs/dbraw/zinc/02/26/61/168022661.db2.gz NQFZEKXZHSPEHF-NEPJUHHUSA-N 1 0 213.340 3.295 10 0 BGAERO CC1(CC[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000309120710 168021436 /nfs/dbraw/zinc/02/14/36/168021436.db2.gz NQFZEKXZHSPEHF-NWDGAFQWSA-N 1 0 213.340 3.295 10 0 BGAERO CC1(CC[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000309120711 168022013 /nfs/dbraw/zinc/02/20/13/168022013.db2.gz NQFZEKXZHSPEHF-RYUDHWBXSA-N 1 0 213.340 3.295 10 0 BGAERO CC1(CC[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000309120712 168022756 /nfs/dbraw/zinc/02/27/56/168022756.db2.gz NQFZEKXZHSPEHF-VXGBXAGGSA-N 1 0 213.340 3.295 10 0 BGAERO Cc1nc([C@@H](C)[NH2+]CCCCCF)cs1 ZINC000309121491 180036167 /nfs/dbraw/zinc/03/61/67/180036167.db2.gz OANBRHLEEKPZBX-SECBINFHSA-N 1 0 230.352 3.242 10 0 BGAERO Cc1nc([C@H](C)[NH2+]CCCCCF)cs1 ZINC000309121493 180049761 /nfs/dbraw/zinc/04/97/61/180049761.db2.gz OANBRHLEEKPZBX-VIFPVBQESA-N 1 0 230.352 3.242 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C/C=C\c1ccccc1 ZINC000309121641 527866110 /nfs/dbraw/zinc/86/61/10/527866110.db2.gz URVSHLFZZIYFDY-XCTAYMRMSA-N 1 0 215.340 3.478 10 0 BGAERO CCc1ccccc1[C@H]1CCC[C@@H](C)[NH2+]1 ZINC000309133806 538110597 /nfs/dbraw/zinc/11/05/97/538110597.db2.gz YKNXMSJLSNQSMY-BXUZGUMPSA-N 1 0 203.329 3.452 10 0 BGAERO CCc1ccccc1[C@@H]1CCC[C@H](C)[NH2+]1 ZINC000309133807 538110568 /nfs/dbraw/zinc/11/05/68/538110568.db2.gz YKNXMSJLSNQSMY-FZMZJTMJSA-N 1 0 203.329 3.452 10 0 BGAERO CCc1ccccc1[C@@H]1CCC[C@@H](C)[NH2+]1 ZINC000309133808 538110548 /nfs/dbraw/zinc/11/05/48/538110548.db2.gz YKNXMSJLSNQSMY-RISCZKNCSA-N 1 0 203.329 3.452 10 0 BGAERO CCc1ccccc1[C@H]1CCC[C@H](C)[NH2+]1 ZINC000309133809 538110560 /nfs/dbraw/zinc/11/05/60/538110560.db2.gz YKNXMSJLSNQSMY-SMDDNHRTSA-N 1 0 203.329 3.452 10 0 BGAERO C[C@H]([NH2+][C@@H]1C=CCCCCC1)[C@H]1CCCO1 ZINC000309136037 385435168 /nfs/dbraw/zinc/43/51/68/385435168.db2.gz HZUZLWKHIBRBQF-BFHYXJOUSA-N 1 0 223.360 3.032 10 0 BGAERO C[C@H]([NH2+][C@H]1C=CCCCCC1)[C@@H]1CCCO1 ZINC000309136038 385434484 /nfs/dbraw/zinc/43/44/84/385434484.db2.gz HZUZLWKHIBRBQF-IHRRRGAJSA-N 1 0 223.360 3.032 10 0 BGAERO C[C@H]([NH2+][C@H]1C=CCCCCC1)[C@H]1CCCO1 ZINC000309136039 385434351 /nfs/dbraw/zinc/43/43/51/385434351.db2.gz HZUZLWKHIBRBQF-MELADBBJSA-N 1 0 223.360 3.032 10 0 BGAERO C[C@H]([NH2+][C@@H]1C=CCCCCC1)[C@@H]1CCCO1 ZINC000309136040 385435428 /nfs/dbraw/zinc/43/54/28/385435428.db2.gz HZUZLWKHIBRBQF-MJBXVCDLSA-N 1 0 223.360 3.032 10 0 BGAERO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309151950 343398574 /nfs/dbraw/zinc/39/85/74/343398574.db2.gz WOLNGGNDBXIAJT-IJLUTSLNSA-N 1 0 213.340 3.150 10 0 BGAERO CC1(C)C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309151955 346971516 /nfs/dbraw/zinc/97/15/16/346971516.db2.gz WOLNGGNDBXIAJT-QJPTWQEYSA-N 1 0 213.340 3.150 10 0 BGAERO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309151960 343398535 /nfs/dbraw/zinc/39/85/35/343398535.db2.gz WOLNGGNDBXIAJT-TUAOUCFPSA-N 1 0 213.340 3.150 10 0 BGAERO CC1(C)C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309151964 346971773 /nfs/dbraw/zinc/97/17/73/346971773.db2.gz WOLNGGNDBXIAJT-UTUOFQBUSA-N 1 0 213.340 3.150 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309164171 385166151 /nfs/dbraw/zinc/16/61/51/385166151.db2.gz IGPXXGSPPLBCRI-AAEUAGOBSA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309164172 385164648 /nfs/dbraw/zinc/16/46/48/385164648.db2.gz IGPXXGSPPLBCRI-DGCLKSJQSA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309164173 256523554 /nfs/dbraw/zinc/52/35/54/256523554.db2.gz IGPXXGSPPLBCRI-WCQYABFASA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC2(CC2)CC1 ZINC000309164174 256523648 /nfs/dbraw/zinc/52/36/48/256523648.db2.gz IGPXXGSPPLBCRI-YPMHNXCESA-N 1 0 207.361 3.487 10 0 BGAERO CC/C=C/CC[NH2+][C@H](C)c1csc(C)n1 ZINC000309165563 385444995 /nfs/dbraw/zinc/44/49/95/385444995.db2.gz IUNGHUBCNWTYKZ-BRAIEQGRSA-N 1 0 224.373 3.458 10 0 BGAERO CC/C=C\CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000309165564 167860851 /nfs/dbraw/zinc/86/08/51/167860851.db2.gz IUNGHUBCNWTYKZ-OMMCCPJFSA-N 1 0 224.373 3.458 10 0 BGAERO CC/C=C/CC[NH2+][C@@H](C)c1csc(C)n1 ZINC000309165565 385445423 /nfs/dbraw/zinc/44/54/23/385445423.db2.gz IUNGHUBCNWTYKZ-PORFMDCZSA-N 1 0 224.373 3.458 10 0 BGAERO CCCC[C@@H](CC)CC[NH2+]C[C@@H](C)OC ZINC000309167500 491091446 /nfs/dbraw/zinc/09/14/46/491091446.db2.gz JSRGFMKJVUVHLZ-CHWSQXEVSA-N 1 0 215.381 3.217 10 0 BGAERO CCCC[C@H](CC)CC[NH2+]C[C@@H](C)OC ZINC000309167501 491091474 /nfs/dbraw/zinc/09/14/74/491091474.db2.gz JSRGFMKJVUVHLZ-OLZOCXBDSA-N 1 0 215.381 3.217 10 0 BGAERO CCCC[C@@H](CC)CC[NH2+]C[C@H](C)OC ZINC000309167502 491146085 /nfs/dbraw/zinc/14/60/85/491146085.db2.gz JSRGFMKJVUVHLZ-QWHCGFSZSA-N 1 0 215.381 3.217 10 0 BGAERO CCCC[C@H](CC)CC[NH2+]C[C@H](C)OC ZINC000309167503 491146122 /nfs/dbraw/zinc/14/61/22/491146122.db2.gz JSRGFMKJVUVHLZ-STQMWFEESA-N 1 0 215.381 3.217 10 0 BGAERO CC[C@H]([NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC000309168705 385167747 /nfs/dbraw/zinc/16/77/47/385167747.db2.gz KHJYERHVTCORDM-JTQLQIEISA-N 1 0 219.319 3.446 10 0 BGAERO CC[C@@H]([NH2+]CC1CC(F)(F)C1)C(C)(C)C ZINC000309168706 385167952 /nfs/dbraw/zinc/16/79/52/385167952.db2.gz KHJYERHVTCORDM-SNVBAGLBSA-N 1 0 219.319 3.446 10 0 BGAERO CC[C@H]([NH2+]Cc1ncc(C)s1)C(C)(C)C ZINC000309169146 385448036 /nfs/dbraw/zinc/44/80/36/385448036.db2.gz KNUVCNCWCGEKOP-JTQLQIEISA-N 1 0 226.389 3.366 10 0 BGAERO CC[C@@H]([NH2+]Cc1ncc(C)s1)C(C)(C)C ZINC000309169147 346975968 /nfs/dbraw/zinc/97/59/68/346975968.db2.gz KNUVCNCWCGEKOP-SNVBAGLBSA-N 1 0 226.389 3.366 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309173008 385162566 /nfs/dbraw/zinc/16/25/66/385162566.db2.gz LUFSTFQHSCNFMT-GXSJLCMTSA-N 1 0 217.303 3.343 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309173009 385163172 /nfs/dbraw/zinc/16/31/72/385163172.db2.gz LUFSTFQHSCNFMT-KOLCDFICSA-N 1 0 217.303 3.343 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C1CC(F)(F)C1 ZINC000309173010 385163556 /nfs/dbraw/zinc/16/35/56/385163556.db2.gz LUFSTFQHSCNFMT-MWLCHTKSSA-N 1 0 217.303 3.343 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]C1CC(F)(F)C1 ZINC000309173011 385162171 /nfs/dbraw/zinc/16/21/71/385162171.db2.gz LUFSTFQHSCNFMT-ONGXEEELSA-N 1 0 217.303 3.343 10 0 BGAERO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000309173448 171060867 /nfs/dbraw/zinc/06/08/67/171060867.db2.gz LWVZAJCKTBCPEA-IJLUTSLNSA-N 1 0 207.317 3.427 10 0 BGAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309173451 171060457 /nfs/dbraw/zinc/06/04/57/171060457.db2.gz LWVZAJCKTBCPEA-QJPTWQEYSA-N 1 0 207.317 3.427 10 0 BGAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1ccc(C)o1 ZINC000309173454 171043907 /nfs/dbraw/zinc/04/39/07/171043907.db2.gz LWVZAJCKTBCPEA-TUAOUCFPSA-N 1 0 207.317 3.427 10 0 BGAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1ccc(C)o1 ZINC000309173457 171045851 /nfs/dbraw/zinc/04/58/51/171045851.db2.gz LWVZAJCKTBCPEA-UTUOFQBUSA-N 1 0 207.317 3.427 10 0 BGAERO Clc1ccc2nccc(C[NH2+]C3CC3)c2c1 ZINC000309181660 350121989 /nfs/dbraw/zinc/12/19/89/350121989.db2.gz DNPNCPMUIHPYOZ-UHFFFAOYSA-N 1 0 232.714 3.140 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CCC(F)(F)F ZINC000309191907 527866971 /nfs/dbraw/zinc/86/69/71/527866971.db2.gz PTLSXPIWGOAKLZ-IVZWLZJFSA-N 1 0 223.282 3.496 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CCC(F)(F)F ZINC000309191910 385201216 /nfs/dbraw/zinc/20/12/16/385201216.db2.gz PTLSXPIWGOAKLZ-OPRDCNLKSA-N 1 0 223.282 3.496 10 0 BGAERO CCCCOCC[NH2+][C@H](CC)C(C)(C)C ZINC000309221747 528611670 /nfs/dbraw/zinc/61/16/70/528611670.db2.gz VJRKMFFFJWMRHJ-GFCCVEGCSA-N 1 0 215.381 3.217 10 0 BGAERO CCCCOCC[NH2+][C@@H](CC)C(C)(C)C ZINC000309221748 528611621 /nfs/dbraw/zinc/61/16/21/528611621.db2.gz VJRKMFFFJWMRHJ-LBPRGKRZSA-N 1 0 215.381 3.217 10 0 BGAERO CCOc1c(F)cc([C@H]2CCC[NH2+]2)cc1Cl ZINC000309227298 342915644 /nfs/dbraw/zinc/91/56/44/342915644.db2.gz DUJJXLBCNFNVEI-LLVKDONJSA-N 1 0 243.709 3.302 10 0 BGAERO CCOc1c(F)cc([C@@H]2CCC[NH2+]2)cc1Cl ZINC000309227301 342915625 /nfs/dbraw/zinc/91/56/25/342915625.db2.gz DUJJXLBCNFNVEI-NSHDSACASA-N 1 0 243.709 3.302 10 0 BGAERO CCC(CC)(CC)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000309267242 410913815 /nfs/dbraw/zinc/91/38/15/410913815.db2.gz JXDXLBUDCNTVKC-CHWSQXEVSA-N 1 0 227.392 3.096 10 0 BGAERO CCC(CC)(CC)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000309267243 410692491 /nfs/dbraw/zinc/69/24/91/410692491.db2.gz JXDXLBUDCNTVKC-OLZOCXBDSA-N 1 0 227.392 3.096 10 0 BGAERO CCC(CC)(CC)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000309267245 410692545 /nfs/dbraw/zinc/69/25/45/410692545.db2.gz JXDXLBUDCNTVKC-QWHCGFSZSA-N 1 0 227.392 3.096 10 0 BGAERO CCC(CC)(CC)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000309267246 410691904 /nfs/dbraw/zinc/69/19/04/410691904.db2.gz JXDXLBUDCNTVKC-STQMWFEESA-N 1 0 227.392 3.096 10 0 BGAERO CC[C@H](C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)OC ZINC000309274840 529371510 /nfs/dbraw/zinc/37/15/10/529371510.db2.gz DPJSNFPSOUPTCR-FRRDWIJNSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H](C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)OC ZINC000309274842 383829825 /nfs/dbraw/zinc/82/98/25/383829825.db2.gz DPJSNFPSOUPTCR-JHJVBQTASA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H](C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1)OC ZINC000309274843 383830772 /nfs/dbraw/zinc/83/07/72/383830772.db2.gz DPJSNFPSOUPTCR-RWMBFGLXSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H](C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)OC ZINC000309274845 383831974 /nfs/dbraw/zinc/83/19/74/383831974.db2.gz DPJSNFPSOUPTCR-YNEHKIRRSA-N 1 0 227.392 3.216 10 0 BGAERO c1cc2c([nH]1)CCC[C@H]2[NH2+]Cc1ccsc1 ZINC000309314984 632926564 /nfs/dbraw/zinc/92/65/64/632926564.db2.gz CULXHVUNLJYGAZ-CYBMUJFWSA-N 1 0 232.352 3.243 10 0 BGAERO c1cc2c([nH]1)CCC[C@@H]2[NH2+]Cc1ccsc1 ZINC000309314989 631991152 /nfs/dbraw/zinc/99/11/52/631991152.db2.gz CULXHVUNLJYGAZ-ZDUSSCGKSA-N 1 0 232.352 3.243 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309316524 256524459 /nfs/dbraw/zinc/52/44/59/256524459.db2.gz DEDWNCBFTXBANR-NEPJUHHUSA-N 1 0 229.408 3.198 10 0 BGAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309316527 383869169 /nfs/dbraw/zinc/86/91/69/383869169.db2.gz DEDWNCBFTXBANR-NWDGAFQWSA-N 1 0 229.408 3.198 10 0 BGAERO C[C@@H](CCC(C)(C)C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309316530 383870318 /nfs/dbraw/zinc/87/03/18/383870318.db2.gz DEDWNCBFTXBANR-RYUDHWBXSA-N 1 0 229.408 3.198 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309316533 383869403 /nfs/dbraw/zinc/86/94/03/383869403.db2.gz DEDWNCBFTXBANR-VXGBXAGGSA-N 1 0 229.408 3.198 10 0 BGAERO c1csc(C[NH2+][C@@H]2CCCc3[nH]ccc32)c1 ZINC000309316935 631990881 /nfs/dbraw/zinc/99/08/81/631990881.db2.gz DGZIQOOBFHCPNS-CYBMUJFWSA-N 1 0 232.352 3.243 10 0 BGAERO c1csc(C[NH2+][C@H]2CCCc3[nH]ccc32)c1 ZINC000309316937 631991819 /nfs/dbraw/zinc/99/18/19/631991819.db2.gz DGZIQOOBFHCPNS-ZDUSSCGKSA-N 1 0 232.352 3.243 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1C[C@H]1c1ccccc1 ZINC000309323845 632940484 /nfs/dbraw/zinc/94/04/84/632940484.db2.gz QTMVHPBDJGZBKO-IHRRRGAJSA-N 1 0 215.340 3.321 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000309323846 633895988 /nfs/dbraw/zinc/89/59/88/633895988.db2.gz QTMVHPBDJGZBKO-MCIONIFRSA-N 1 0 215.340 3.321 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000309323847 632004087 /nfs/dbraw/zinc/00/40/87/632004087.db2.gz QTMVHPBDJGZBKO-MJBXVCDLSA-N 1 0 215.340 3.321 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000309323849 632004415 /nfs/dbraw/zinc/00/44/15/632004415.db2.gz QTMVHPBDJGZBKO-RDBSUJKOSA-N 1 0 215.340 3.321 10 0 BGAERO Cn1cc([C@@H]([NH3+])C(C)(C)C)c2ccccc21 ZINC000309326600 347034432 /nfs/dbraw/zinc/03/44/32/347034432.db2.gz RRXLUVVGZYCYIY-CYBMUJFWSA-N 1 0 216.328 3.224 10 0 BGAERO Cn1cc([C@H]([NH3+])C(C)(C)C)c2ccccc21 ZINC000309326606 343271281 /nfs/dbraw/zinc/27/12/81/343271281.db2.gz RRXLUVVGZYCYIY-ZDUSSCGKSA-N 1 0 216.328 3.224 10 0 BGAERO CC(C)CSCC[NH2+]CCc1ccccc1 ZINC000309327057 633897089 /nfs/dbraw/zinc/89/70/89/633897089.db2.gz GTTPHCUENSNMON-UHFFFAOYSA-N 1 0 237.412 3.208 10 0 BGAERO CC(C)[C@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000309347162 383893972 /nfs/dbraw/zinc/89/39/72/383893972.db2.gz MAHXCVAHPHZNFK-KBPBESRZSA-N 1 0 219.372 3.499 10 0 BGAERO CC(C)[C@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000309347164 383894497 /nfs/dbraw/zinc/89/44/97/383894497.db2.gz MAHXCVAHPHZNFK-KGLIPLIRSA-N 1 0 219.372 3.499 10 0 BGAERO CC(C)[C@@H](C)[NH2+]C[C@@H](C)Cc1ccccc1 ZINC000309347165 383892397 /nfs/dbraw/zinc/89/23/97/383892397.db2.gz MAHXCVAHPHZNFK-UONOGXRCSA-N 1 0 219.372 3.499 10 0 BGAERO CC(C)[C@@H](C)[NH2+]C[C@H](C)Cc1ccccc1 ZINC000309347166 383894530 /nfs/dbraw/zinc/89/45/30/383894530.db2.gz MAHXCVAHPHZNFK-ZIAGYGMSSA-N 1 0 219.372 3.499 10 0 BGAERO CC(C)(C)CC[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309360509 633902885 /nfs/dbraw/zinc/90/28/85/633902885.db2.gz OQRDRQAILHPZLZ-CYBMUJFWSA-N 1 0 220.360 3.418 10 0 BGAERO CC(C)(C)CC[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309360510 632020016 /nfs/dbraw/zinc/02/00/16/632020016.db2.gz OQRDRQAILHPZLZ-ZDUSSCGKSA-N 1 0 220.360 3.418 10 0 BGAERO c1ccc(CC[NH2+][C@H]2CC23CCCC3)cc1 ZINC000309384165 632024024 /nfs/dbraw/zinc/02/40/24/632024024.db2.gz AEWXNFJPQKXKNC-AWEZNQCLSA-N 1 0 215.340 3.151 10 0 BGAERO c1ccc(CC[NH2+][C@@H]2CC23CCCC3)cc1 ZINC000309384167 632022280 /nfs/dbraw/zinc/02/22/80/632022280.db2.gz AEWXNFJPQKXKNC-CQSZACIVSA-N 1 0 215.340 3.151 10 0 BGAERO CCCC[NH2+]C/C=C\c1ccc(OC)cc1 ZINC000309385612 343352175 /nfs/dbraw/zinc/35/21/75/343352175.db2.gz LWRDYILQCFQSKQ-WAYWQWQTSA-N 1 0 219.328 3.098 10 0 BGAERO COC[C@@H](CC(C)C)[NH2+][C@@H](C)c1cccs1 ZINC000309402944 229577241 /nfs/dbraw/zinc/57/72/41/229577241.db2.gz AJBPXQXUUQBWMA-NWDGAFQWSA-N 1 0 241.400 3.460 10 0 BGAERO COC[C@H](CC(C)C)[NH2+][C@@H](C)c1cccs1 ZINC000309402945 383981454 /nfs/dbraw/zinc/98/14/54/383981454.db2.gz AJBPXQXUUQBWMA-RYUDHWBXSA-N 1 0 241.400 3.460 10 0 BGAERO CC1(C)CC(C[NH2+]CCc2ccccc2)C1 ZINC000309405630 633022240 /nfs/dbraw/zinc/02/22/40/633022240.db2.gz HXJQYXPWTIHOSS-UHFFFAOYSA-N 1 0 217.356 3.255 10 0 BGAERO CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)[C@@H](C)O ZINC000309419700 632046487 /nfs/dbraw/zinc/04/64/87/632046487.db2.gz AGJOMZBTSOICNB-BFHYXJOUSA-N 1 0 227.392 3.118 10 0 BGAERO CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)[C@H](C)O ZINC000309419701 632047338 /nfs/dbraw/zinc/04/73/38/632047338.db2.gz AGJOMZBTSOICNB-IHRRRGAJSA-N 1 0 227.392 3.118 10 0 BGAERO CC(C)=CCC[C@H](C)CC[NH2+][C@@H](C)[C@@H](C)O ZINC000309419702 633046319 /nfs/dbraw/zinc/04/63/19/633046319.db2.gz AGJOMZBTSOICNB-MELADBBJSA-N 1 0 227.392 3.118 10 0 BGAERO CC(C)=CCC[C@H](C)CC[NH2+][C@H](C)[C@H](C)O ZINC000309419704 633045816 /nfs/dbraw/zinc/04/58/16/633045816.db2.gz AGJOMZBTSOICNB-MJBXVCDLSA-N 1 0 227.392 3.118 10 0 BGAERO C([NH2+][C@H]1CCSC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000309420384 259343574 /nfs/dbraw/zinc/34/35/74/259343574.db2.gz ZNPWABFRKSDMGB-IHRRRGAJSA-N 1 0 239.428 3.298 10 0 BGAERO C([NH2+][C@@H]1CCSC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000309420390 259343439 /nfs/dbraw/zinc/34/34/39/259343439.db2.gz ZNPWABFRKSDMGB-MJBXVCDLSA-N 1 0 239.428 3.298 10 0 BGAERO CC(C)C[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000309421143 322903428 /nfs/dbraw/zinc/90/34/28/322903428.db2.gz ZRUIECOPWIALDK-AVGNSLFASA-N 1 0 227.392 3.214 10 0 BGAERO CC(C)C[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309421146 322903359 /nfs/dbraw/zinc/90/33/59/322903359.db2.gz ZRUIECOPWIALDK-FQUUOJAGSA-N 1 0 227.392 3.214 10 0 BGAERO CC(C)C[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309421150 322903545 /nfs/dbraw/zinc/90/35/45/322903545.db2.gz ZRUIECOPWIALDK-YIYPIFLZSA-N 1 0 227.392 3.214 10 0 BGAERO CC(C)C[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000309421154 322903490 /nfs/dbraw/zinc/90/34/90/322903490.db2.gz ZRUIECOPWIALDK-YNEHKIRRSA-N 1 0 227.392 3.214 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000309446592 384073485 /nfs/dbraw/zinc/07/34/85/384073485.db2.gz JYACAOCEAYFRFW-HZSPNIEDSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000309446594 384073359 /nfs/dbraw/zinc/07/33/59/384073359.db2.gz JYACAOCEAYFRFW-MCIONIFRSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(C)CCCO1 ZINC000309446597 384072256 /nfs/dbraw/zinc/07/22/56/384072256.db2.gz JYACAOCEAYFRFW-MGPQQGTHSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(C)CCCO1 ZINC000309446599 384073072 /nfs/dbraw/zinc/07/30/72/384073072.db2.gz JYACAOCEAYFRFW-RDBSUJKOSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)OCC ZINC000309449793 527763379 /nfs/dbraw/zinc/76/33/79/527763379.db2.gz KVBIQICXSXBXIL-CHWSQXEVSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)OCC ZINC000309449795 384077504 /nfs/dbraw/zinc/07/75/04/384077504.db2.gz KVBIQICXSXBXIL-OLZOCXBDSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)OCC ZINC000309449797 528384063 /nfs/dbraw/zinc/38/40/63/528384063.db2.gz KVBIQICXSXBXIL-QWHCGFSZSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)OCC ZINC000309449799 384078944 /nfs/dbraw/zinc/07/89/44/384078944.db2.gz KVBIQICXSXBXIL-STQMWFEESA-N 1 0 227.392 3.360 10 0 BGAERO CC1(C)CC([NH2+][C@@H]2CCCc3[nH]ccc32)C1 ZINC000309454077 633922019 /nfs/dbraw/zinc/92/20/19/633922019.db2.gz NFVYSRICRZJRIC-CYBMUJFWSA-N 1 0 218.344 3.170 10 0 BGAERO CC1(C)CC([NH2+][C@H]2CCCc3[nH]ccc32)C1 ZINC000309454079 633922501 /nfs/dbraw/zinc/92/25/01/633922501.db2.gz NFVYSRICRZJRIC-ZDUSSCGKSA-N 1 0 218.344 3.170 10 0 BGAERO CCOCC(C)(C)C[NH2+][C@H](CC)C(C)(C)C ZINC000309454773 384085755 /nfs/dbraw/zinc/08/57/55/384085755.db2.gz MACLMLGWPLDEPA-GFCCVEGCSA-N 1 0 229.408 3.463 10 0 BGAERO CCOCC(C)(C)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309454774 384086696 /nfs/dbraw/zinc/08/66/96/384086696.db2.gz MACLMLGWPLDEPA-LBPRGKRZSA-N 1 0 229.408 3.463 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309457188 384085854 /nfs/dbraw/zinc/08/58/54/384085854.db2.gz MVGZSNMHGJAYRR-AVGNSLFASA-N 1 0 229.408 3.198 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309457189 384086381 /nfs/dbraw/zinc/08/63/81/384086381.db2.gz MVGZSNMHGJAYRR-RWMBFGLXSA-N 1 0 229.408 3.198 10 0 BGAERO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)C(C)(C)C ZINC000309457190 384087999 /nfs/dbraw/zinc/08/79/99/384087999.db2.gz MVGZSNMHGJAYRR-XQQFMLRXSA-N 1 0 229.408 3.198 10 0 BGAERO CCCC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C(C)(C)C ZINC000309457191 384088740 /nfs/dbraw/zinc/08/87/40/384088740.db2.gz MVGZSNMHGJAYRR-YNEHKIRRSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@H]([NH2+]C[C@@](C)(OC)C1CC1)C(C)(C)C ZINC000309462101 384088638 /nfs/dbraw/zinc/08/86/38/384088638.db2.gz OEOCWPQOVLVBDQ-GXTWGEPZSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C[C@](C)(OC)C1CC1)C(C)(C)C ZINC000309462102 384087933 /nfs/dbraw/zinc/08/79/33/384087933.db2.gz OEOCWPQOVLVBDQ-JSGCOSHPSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H]([NH2+]C[C@](C)(OC)C1CC1)C(C)(C)C ZINC000309462103 384088872 /nfs/dbraw/zinc/08/88/72/384088872.db2.gz OEOCWPQOVLVBDQ-OCCSQVGLSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H]([NH2+]C[C@@](C)(OC)C1CC1)C(C)(C)C ZINC000309462104 384088260 /nfs/dbraw/zinc/08/82/60/384088260.db2.gz OEOCWPQOVLVBDQ-TZMCWYRMSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H]([NH2+]CCCOCC(C)C)C(C)(C)C ZINC000309479281 384090346 /nfs/dbraw/zinc/09/03/46/384090346.db2.gz AATAICUEJMLJBX-CYBMUJFWSA-N 1 0 229.408 3.463 10 0 BGAERO CC[C@H]([NH2+]CCCOCC(C)C)C(C)(C)C ZINC000309479282 384091223 /nfs/dbraw/zinc/09/12/23/384091223.db2.gz AATAICUEJMLJBX-ZDUSSCGKSA-N 1 0 229.408 3.463 10 0 BGAERO CCOc1c(Cl)cccc1C[NH2+][C@@H]1C[C@H]1C ZINC000309482688 385608423 /nfs/dbraw/zinc/60/84/23/385608423.db2.gz UGKVYIZVBXELQD-BXKDBHETSA-N 1 0 239.746 3.237 10 0 BGAERO CCOc1c(Cl)cccc1C[NH2+][C@H]1C[C@@H]1C ZINC000309482689 385608559 /nfs/dbraw/zinc/60/85/59/385608559.db2.gz UGKVYIZVBXELQD-CABZTGNLSA-N 1 0 239.746 3.237 10 0 BGAERO CCOc1c(Cl)cccc1C[NH2+][C@@H]1C[C@@H]1C ZINC000309482690 385608394 /nfs/dbraw/zinc/60/83/94/385608394.db2.gz UGKVYIZVBXELQD-JOYOIKCWSA-N 1 0 239.746 3.237 10 0 BGAERO CCOc1c(Cl)cccc1C[NH2+][C@H]1C[C@H]1C ZINC000309482691 385608204 /nfs/dbraw/zinc/60/82/04/385608204.db2.gz UGKVYIZVBXELQD-SKDRFNHKSA-N 1 0 239.746 3.237 10 0 BGAERO CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000309486931 174817385 /nfs/dbraw/zinc/81/73/85/174817385.db2.gz VTUNHQCMPTZDMO-JHJVBQTASA-N 1 0 227.392 3.216 10 0 BGAERO CO[C@H](C)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000309486932 385614014 /nfs/dbraw/zinc/61/40/14/385614014.db2.gz VTUNHQCMPTZDMO-UPJWGTAASA-N 1 0 227.392 3.216 10 0 BGAERO CO[C@H](C)CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000309486933 385612951 /nfs/dbraw/zinc/61/29/51/385612951.db2.gz VTUNHQCMPTZDMO-XQQFMLRXSA-N 1 0 227.392 3.216 10 0 BGAERO CO[C@H](C)CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000309486934 385613148 /nfs/dbraw/zinc/61/31/48/385613148.db2.gz VTUNHQCMPTZDMO-YNEHKIRRSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H]1CCOC)C(C)C ZINC000309488283 384099117 /nfs/dbraw/zinc/09/91/17/384099117.db2.gz WELQSGAWSWRSFU-HZSPNIEDSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@H]1CCOC)C(C)C ZINC000309488284 529670873 /nfs/dbraw/zinc/67/08/73/529670873.db2.gz WELQSGAWSWRSFU-IHRRRGAJSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H]1CCOC)C(C)C ZINC000309488285 384098677 /nfs/dbraw/zinc/09/86/77/384098677.db2.gz WELQSGAWSWRSFU-MELADBBJSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@@H]1CCOC)C(C)C ZINC000309488286 529670360 /nfs/dbraw/zinc/67/03/60/529670360.db2.gz WELQSGAWSWRSFU-RDBSUJKOSA-N 1 0 227.392 3.216 10 0 BGAERO [NH3+][C@@H](CF)c1cccc(-c2ccccc2)c1 ZINC000309495112 343620573 /nfs/dbraw/zinc/62/05/73/343620573.db2.gz KQUJRHYUXSYUBE-AWEZNQCLSA-N 1 0 215.271 3.323 10 0 BGAERO [NH3+][C@H](CF)c1cccc(-c2ccccc2)c1 ZINC000309495114 343620633 /nfs/dbraw/zinc/62/06/33/343620633.db2.gz KQUJRHYUXSYUBE-CQSZACIVSA-N 1 0 215.271 3.323 10 0 BGAERO COC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC000309497173 491150235 /nfs/dbraw/zinc/15/02/35/491150235.db2.gz YRLBQSCPNAPSAC-BDAKNGLRSA-N 1 0 245.725 3.165 10 0 BGAERO COC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC000309497176 491150239 /nfs/dbraw/zinc/15/02/39/491150239.db2.gz YRLBQSCPNAPSAC-DTWKUNHWSA-N 1 0 245.725 3.165 10 0 BGAERO COC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1F ZINC000309497178 491150232 /nfs/dbraw/zinc/15/02/32/491150232.db2.gz YRLBQSCPNAPSAC-IUCAKERBSA-N 1 0 245.725 3.165 10 0 BGAERO COC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1F ZINC000309497180 491150208 /nfs/dbraw/zinc/15/02/08/491150208.db2.gz YRLBQSCPNAPSAC-RKDXNWHRSA-N 1 0 245.725 3.165 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCC[C@@H]1OC)C(C)(C)C ZINC000309498087 384099047 /nfs/dbraw/zinc/09/90/47/384099047.db2.gz YZMMSVUXUSXXCI-AGIUHOORSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1OC)C(C)(C)C ZINC000309498088 384098959 /nfs/dbraw/zinc/09/89/59/384098959.db2.gz YZMMSVUXUSXXCI-AVGNSLFASA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCC[C@H]1OC)C(C)(C)C ZINC000309498089 384099131 /nfs/dbraw/zinc/09/91/31/384099131.db2.gz YZMMSVUXUSXXCI-UPJWGTAASA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCC[C@H]1OC)C(C)(C)C ZINC000309498091 384098435 /nfs/dbraw/zinc/09/84/35/384098435.db2.gz YZMMSVUXUSXXCI-XQQFMLRXSA-N 1 0 227.392 3.216 10 0 BGAERO COC[C@H](CC(C)C)[NH2+][C@H](C)c1cccs1 ZINC000309503604 229584210 /nfs/dbraw/zinc/58/42/10/229584210.db2.gz AJBPXQXUUQBWMA-NEPJUHHUSA-N 1 0 241.400 3.460 10 0 BGAERO COC[C@@H](CC(C)C)[NH2+][C@H](C)c1cccs1 ZINC000309503605 384113483 /nfs/dbraw/zinc/11/34/83/384113483.db2.gz AJBPXQXUUQBWMA-VXGBXAGGSA-N 1 0 241.400 3.460 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000309521001 633943901 /nfs/dbraw/zinc/94/39/01/633943901.db2.gz BOVMEDQDEDKMGM-GXSJLCMTSA-N 1 0 238.762 3.356 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000309521005 632468575 /nfs/dbraw/zinc/46/85/75/632468575.db2.gz BOVMEDQDEDKMGM-KOLCDFICSA-N 1 0 238.762 3.356 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2nc(Cl)ccc21 ZINC000309521010 632467686 /nfs/dbraw/zinc/46/76/86/632467686.db2.gz BOVMEDQDEDKMGM-MWLCHTKSSA-N 1 0 238.762 3.356 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H]1CCc2nc(Cl)ccc21 ZINC000309521013 633944148 /nfs/dbraw/zinc/94/41/48/633944148.db2.gz BOVMEDQDEDKMGM-ONGXEEELSA-N 1 0 238.762 3.356 10 0 BGAERO c1ccc(CC[NH2+]C23CCC(CC2)C3)cc1 ZINC000309535669 632478505 /nfs/dbraw/zinc/47/85/05/632478505.db2.gz FDZQBOBEHIAJCG-UHFFFAOYSA-N 1 0 215.340 3.151 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+]CC(C)(C)C(C)(C)C ZINC000309538491 350709780 /nfs/dbraw/zinc/70/97/80/350709780.db2.gz XOGPFEVWAREJGV-LLVKDONJSA-N 1 0 229.408 3.055 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+]CC(C)(C)C(C)(C)C ZINC000309538492 347096030 /nfs/dbraw/zinc/09/60/30/347096030.db2.gz XOGPFEVWAREJGV-NSHDSACASA-N 1 0 229.408 3.055 10 0 BGAERO Cc1nc([C@@H](C)[NH2+][C@@H]2CCC23CCC3)cs1 ZINC000309546501 385681861 /nfs/dbraw/zinc/68/18/61/385681861.db2.gz GYOAZPTVXMIEQU-BXKDBHETSA-N 1 0 236.384 3.435 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@H]2CCC23CCC3)cs1 ZINC000309546503 180050253 /nfs/dbraw/zinc/05/02/53/180050253.db2.gz GYOAZPTVXMIEQU-CABZTGNLSA-N 1 0 236.384 3.435 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@@H]2CCC23CCC3)cs1 ZINC000309546506 180050691 /nfs/dbraw/zinc/05/06/91/180050691.db2.gz GYOAZPTVXMIEQU-JOYOIKCWSA-N 1 0 236.384 3.435 10 0 BGAERO Cc1nc([C@@H](C)[NH2+][C@H]2CCC23CCC3)cs1 ZINC000309546510 180038012 /nfs/dbraw/zinc/03/80/12/180038012.db2.gz GYOAZPTVXMIEQU-SKDRFNHKSA-N 1 0 236.384 3.435 10 0 BGAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000309547898 388456940 /nfs/dbraw/zinc/45/69/40/388456940.db2.gz HJDNKNOSSGXBQH-IJLUTSLNSA-N 1 0 227.392 3.214 10 0 BGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000309547899 388456562 /nfs/dbraw/zinc/45/65/62/388456562.db2.gz HJDNKNOSSGXBQH-RNJOBUHISA-N 1 0 227.392 3.214 10 0 BGAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000309547900 388456605 /nfs/dbraw/zinc/45/66/05/388456605.db2.gz HJDNKNOSSGXBQH-UTUOFQBUSA-N 1 0 227.392 3.214 10 0 BGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000309547901 229452716 /nfs/dbraw/zinc/45/27/16/229452716.db2.gz HJDNKNOSSGXBQH-YVECIDJPSA-N 1 0 227.392 3.214 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309548548 491151114 /nfs/dbraw/zinc/15/11/14/491151114.db2.gz CRUJOQRLPLCYBS-AXFHLTTASA-N 1 0 235.293 3.292 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309548549 491151090 /nfs/dbraw/zinc/15/10/90/491151090.db2.gz CRUJOQRLPLCYBS-DCAQKATOSA-N 1 0 235.293 3.292 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCC(F)(F)C1 ZINC000309548550 491151108 /nfs/dbraw/zinc/15/11/08/491151108.db2.gz CRUJOQRLPLCYBS-GARJFASQSA-N 1 0 235.293 3.292 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC(F)(F)C1 ZINC000309548551 491151124 /nfs/dbraw/zinc/15/11/24/491151124.db2.gz CRUJOQRLPLCYBS-HBNTYKKESA-N 1 0 235.293 3.292 10 0 BGAERO CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)C(C)(C)C ZINC000309549518 388456559 /nfs/dbraw/zinc/45/65/59/388456559.db2.gz HRIJAVNYKQYIJG-NEPJUHHUSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@@H]([NH2+]CC(C)(C)C[C@H](C)O)C(C)(C)C ZINC000309549519 388456281 /nfs/dbraw/zinc/45/62/81/388456281.db2.gz HRIJAVNYKQYIJG-NWDGAFQWSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)C(C)(C)C ZINC000309549520 388456661 /nfs/dbraw/zinc/45/66/61/388456661.db2.gz HRIJAVNYKQYIJG-RYUDHWBXSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@@H]([NH2+]CC(C)(C)C[C@@H](C)O)C(C)(C)C ZINC000309549521 388456709 /nfs/dbraw/zinc/45/67/09/388456709.db2.gz HRIJAVNYKQYIJG-VXGBXAGGSA-N 1 0 229.408 3.198 10 0 BGAERO FC(F)(F)[C@@H]1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000309551153 491151242 /nfs/dbraw/zinc/15/12/42/491151242.db2.gz FXPYLSIWNMVKSO-BDAKNGLRSA-N 1 0 239.256 3.199 10 0 BGAERO FC(F)(F)[C@H]1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000309551155 491151256 /nfs/dbraw/zinc/15/12/56/491151256.db2.gz FXPYLSIWNMVKSO-DTWKUNHWSA-N 1 0 239.256 3.199 10 0 BGAERO FC(F)(F)[C@H]1CCC[C@H]([NH2+]CC2(F)CC2)C1 ZINC000309551157 491151251 /nfs/dbraw/zinc/15/12/51/491151251.db2.gz FXPYLSIWNMVKSO-IUCAKERBSA-N 1 0 239.256 3.199 10 0 BGAERO FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]CC2(F)CC2)C1 ZINC000309551159 491151262 /nfs/dbraw/zinc/15/12/62/491151262.db2.gz FXPYLSIWNMVKSO-RKDXNWHRSA-N 1 0 239.256 3.199 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C2CC2)o1 ZINC000309551379 385689774 /nfs/dbraw/zinc/68/97/74/385689774.db2.gz IISIHFJFPZNEAA-CYZMBNFOSA-N 1 0 219.328 3.427 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@H]2C2CC2)o1 ZINC000309551381 385688167 /nfs/dbraw/zinc/68/81/67/385688167.db2.gz IISIHFJFPZNEAA-DRZSPHRISA-N 1 0 219.328 3.427 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CC[C@@H]2C2CC2)o1 ZINC000309551383 385690105 /nfs/dbraw/zinc/69/01/05/385690105.db2.gz IISIHFJFPZNEAA-UHTWSYAYSA-N 1 0 219.328 3.427 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C2CC2)o1 ZINC000309551386 385689512 /nfs/dbraw/zinc/68/95/12/385689512.db2.gz IISIHFJFPZNEAA-WCFLWFBJSA-N 1 0 219.328 3.427 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000309556490 397862597 /nfs/dbraw/zinc/86/25/97/397862597.db2.gz HVKNOPIXSIRIQN-NXEZZACHSA-N 1 0 241.272 3.447 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000309556491 397863132 /nfs/dbraw/zinc/86/31/32/397863132.db2.gz HVKNOPIXSIRIQN-UWVGGRQHSA-N 1 0 241.272 3.447 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCCC(F)(F)F ZINC000309556492 397863135 /nfs/dbraw/zinc/86/31/35/397863135.db2.gz HVKNOPIXSIRIQN-VHSXEESVSA-N 1 0 241.272 3.447 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000309556493 397862586 /nfs/dbraw/zinc/86/25/86/397862586.db2.gz HVKNOPIXSIRIQN-ZJUUUORDSA-N 1 0 241.272 3.447 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CC2CC(C)(C)C2)o1 ZINC000309557647 491151439 /nfs/dbraw/zinc/15/14/39/491151439.db2.gz KCJQAPWHWUXFOJ-JTQLQIEISA-N 1 0 222.332 3.070 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CC2CC(C)(C)C2)o1 ZINC000309557648 491151433 /nfs/dbraw/zinc/15/14/33/491151433.db2.gz KCJQAPWHWUXFOJ-SNVBAGLBSA-N 1 0 222.332 3.070 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCCc2[nH]ccc21)C1CC1 ZINC000309570939 633201358 /nfs/dbraw/zinc/20/13/58/633201358.db2.gz NPFYBCRFRUXYFF-GXTWGEPZSA-N 1 0 218.344 3.170 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCc2[nH]ccc21)C1CC1 ZINC000309570940 632537751 /nfs/dbraw/zinc/53/77/51/632537751.db2.gz NPFYBCRFRUXYFF-JSGCOSHPSA-N 1 0 218.344 3.170 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCCc2[nH]ccc21)C1CC1 ZINC000309570942 633201912 /nfs/dbraw/zinc/20/19/12/633201912.db2.gz NPFYBCRFRUXYFF-OCCSQVGLSA-N 1 0 218.344 3.170 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCCc2[nH]ccc21)C1CC1 ZINC000309570944 632537604 /nfs/dbraw/zinc/53/76/04/632537604.db2.gz NPFYBCRFRUXYFF-TZMCWYRMSA-N 1 0 218.344 3.170 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC2(C)C)o1 ZINC000309571859 385700264 /nfs/dbraw/zinc/70/02/64/385700264.db2.gz NWESWISLWLFKMV-DCAQKATOSA-N 1 0 222.332 3.068 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)[C@H]2CC2(C)C)o1 ZINC000309571861 385701696 /nfs/dbraw/zinc/70/16/96/385701696.db2.gz NWESWISLWLFKMV-GARJFASQSA-N 1 0 222.332 3.068 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)[C@H]2CC2(C)C)o1 ZINC000309571864 385701660 /nfs/dbraw/zinc/70/16/60/385701660.db2.gz NWESWISLWLFKMV-OUAUKWLOSA-N 1 0 222.332 3.068 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)[C@@H]2CC2(C)C)o1 ZINC000309571865 385700306 /nfs/dbraw/zinc/70/03/06/385700306.db2.gz NWESWISLWLFKMV-VWYCJHECSA-N 1 0 222.332 3.068 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(C)(C)C ZINC000309574030 259316838 /nfs/dbraw/zinc/31/68/38/259316838.db2.gz OKDQMVVGRALIAW-NEPJUHHUSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(C)(C)C ZINC000309574031 259316994 /nfs/dbraw/zinc/31/69/94/259316994.db2.gz OKDQMVVGRALIAW-NWDGAFQWSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCC(C)(C)O1)C(C)(C)C ZINC000309574032 259316899 /nfs/dbraw/zinc/31/68/99/259316899.db2.gz OKDQMVVGRALIAW-RYUDHWBXSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH2+]C[C@H]1CCC(C)(C)O1)C(C)(C)C ZINC000309574033 259316827 /nfs/dbraw/zinc/31/68/27/259316827.db2.gz OKDQMVVGRALIAW-VXGBXAGGSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH2+]CC(C)(C)CCCO)C(C)(C)C ZINC000309575236 259316926 /nfs/dbraw/zinc/31/69/26/259316926.db2.gz ORYCEPXURBCNOY-GFCCVEGCSA-N 1 0 229.408 3.199 10 0 BGAERO CC[C@H]([NH2+]CC(C)(C)CCCO)C(C)(C)C ZINC000309575237 259316859 /nfs/dbraw/zinc/31/68/59/259316859.db2.gz ORYCEPXURBCNOY-LBPRGKRZSA-N 1 0 229.408 3.199 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000309577746 385708887 /nfs/dbraw/zinc/70/88/87/385708887.db2.gz PHMLFACSUYLWLP-NEPJUHHUSA-N 1 0 231.330 3.387 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000309577747 180936108 /nfs/dbraw/zinc/93/61/08/180936108.db2.gz PHMLFACSUYLWLP-NWDGAFQWSA-N 1 0 231.330 3.387 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCC1(F)CCC1 ZINC000309577748 180935490 /nfs/dbraw/zinc/93/54/90/180935490.db2.gz PHMLFACSUYLWLP-RYUDHWBXSA-N 1 0 231.330 3.387 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CCC1(F)CCC1 ZINC000309577749 384540721 /nfs/dbraw/zinc/54/07/21/384540721.db2.gz PHMLFACSUYLWLP-VXGBXAGGSA-N 1 0 231.330 3.387 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000309595455 633962172 /nfs/dbraw/zinc/96/21/72/633962172.db2.gz IEQLHJPWZBQTBW-GXSJLCMTSA-N 1 0 238.762 3.356 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000309595457 633964198 /nfs/dbraw/zinc/96/41/98/633964198.db2.gz IEQLHJPWZBQTBW-KOLCDFICSA-N 1 0 238.762 3.356 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCc2ccc(Cl)nc21 ZINC000309595459 633208302 /nfs/dbraw/zinc/20/83/02/633208302.db2.gz IEQLHJPWZBQTBW-MWLCHTKSSA-N 1 0 238.762 3.356 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H]1CCc2ccc(Cl)nc21 ZINC000309595461 633963875 /nfs/dbraw/zinc/96/38/75/633963875.db2.gz IEQLHJPWZBQTBW-ONGXEEELSA-N 1 0 238.762 3.356 10 0 BGAERO CC(C)c1ccc(CC[NH2+][C@H]2C[C@H]2C)cc1 ZINC000309606139 388458823 /nfs/dbraw/zinc/45/88/23/388458823.db2.gz YRUGTHYHRLBZMQ-DOMZBBRYSA-N 1 0 217.356 3.351 10 0 BGAERO CC(C)c1ccc(CC[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000309606140 388459048 /nfs/dbraw/zinc/45/90/48/388459048.db2.gz YRUGTHYHRLBZMQ-IUODEOHRSA-N 1 0 217.356 3.351 10 0 BGAERO CC(C)c1ccc(CC[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000309606142 388458909 /nfs/dbraw/zinc/45/89/09/388458909.db2.gz YRUGTHYHRLBZMQ-SWLSCSKDSA-N 1 0 217.356 3.351 10 0 BGAERO CC(C)c1ccc(CC[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000309606143 528089283 /nfs/dbraw/zinc/08/92/83/528089283.db2.gz YRUGTHYHRLBZMQ-WFASDCNBSA-N 1 0 217.356 3.351 10 0 BGAERO FC(F)(F)C1CCC([NH2+]CC2(F)CC2)CC1 ZINC000309612500 491058165 /nfs/dbraw/zinc/05/81/65/491058165.db2.gz ZVAYMWCZILTVKL-UHFFFAOYSA-N 1 0 239.256 3.199 10 0 BGAERO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]CC1(C)CC1 ZINC000309618407 487990549 /nfs/dbraw/zinc/99/05/49/487990549.db2.gz CLAGJLOZKADMNG-UONOGXRCSA-N 1 0 215.340 3.241 10 0 BGAERO CO[C@H](C)C[NH2+]C[C@H](C)CC1CCCCC1 ZINC000309618547 384167254 /nfs/dbraw/zinc/16/72/54/384167254.db2.gz DMTZIIQBVVGKFQ-CHWSQXEVSA-N 1 0 227.392 3.217 10 0 BGAERO CO[C@H](C)C[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000309618551 384168438 /nfs/dbraw/zinc/16/84/38/384168438.db2.gz DMTZIIQBVVGKFQ-QWHCGFSZSA-N 1 0 227.392 3.217 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CC2(C(C)C)CC2)o1 ZINC000309619301 491152629 /nfs/dbraw/zinc/15/26/29/491152629.db2.gz OSANHEZQLMVXTR-LLVKDONJSA-N 1 0 222.332 3.070 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CC2(C(C)C)CC2)o1 ZINC000309619302 491152645 /nfs/dbraw/zinc/15/26/45/491152645.db2.gz OSANHEZQLMVXTR-NSHDSACASA-N 1 0 222.332 3.070 10 0 BGAERO CCC[C@H](CCO)C[NH2+][C@H](CC)C(C)(C)C ZINC000309623009 384183450 /nfs/dbraw/zinc/18/34/50/384183450.db2.gz FAGQDZSJJMMQGY-CHWSQXEVSA-N 1 0 229.408 3.199 10 0 BGAERO CCC[C@H](CCO)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309623010 384183678 /nfs/dbraw/zinc/18/36/78/384183678.db2.gz FAGQDZSJJMMQGY-OLZOCXBDSA-N 1 0 229.408 3.199 10 0 BGAERO CCC[C@@H](CCO)C[NH2+][C@H](CC)C(C)(C)C ZINC000309623011 384182262 /nfs/dbraw/zinc/18/22/62/384182262.db2.gz FAGQDZSJJMMQGY-QWHCGFSZSA-N 1 0 229.408 3.199 10 0 BGAERO CCC[C@@H](CCO)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309623012 528936903 /nfs/dbraw/zinc/93/69/03/528936903.db2.gz FAGQDZSJJMMQGY-STQMWFEESA-N 1 0 229.408 3.199 10 0 BGAERO CC(C)[C@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000309624887 188169788 /nfs/dbraw/zinc/16/97/88/188169788.db2.gz PWNWUWFYWPLCIU-HSBZDZAISA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)[C@@H](C)[NH2+]C1CCC2(CCCO2)CC1 ZINC000309624890 167379849 /nfs/dbraw/zinc/37/98/49/167379849.db2.gz PWNWUWFYWPLCIU-IYXRBSQSSA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)C[C@H](C)C[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C ZINC000309633994 388460076 /nfs/dbraw/zinc/46/00/76/388460076.db2.gz RXRDVJWFWLYACM-IGQOVBAYSA-N 1 0 227.392 3.214 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000309636577 229589579 /nfs/dbraw/zinc/58/95/79/229589579.db2.gz MWAOZQKYQKVGRY-HZSPNIEDSA-N 1 0 225.351 3.461 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000309636579 229590615 /nfs/dbraw/zinc/59/06/15/229590615.db2.gz MWAOZQKYQKVGRY-IHRRRGAJSA-N 1 0 225.351 3.461 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000309636581 384185679 /nfs/dbraw/zinc/18/56/79/384185679.db2.gz MWAOZQKYQKVGRY-MELADBBJSA-N 1 0 225.351 3.461 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000309636582 384184691 /nfs/dbraw/zinc/18/46/91/384184691.db2.gz MWAOZQKYQKVGRY-RDBSUJKOSA-N 1 0 225.351 3.461 10 0 BGAERO c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CSC1 ZINC000309642297 491153457 /nfs/dbraw/zinc/15/34/57/491153457.db2.gz UZGFDZFFQYHGBS-AWEZNQCLSA-N 1 0 233.380 3.159 10 0 BGAERO c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CSC1 ZINC000309642299 491153437 /nfs/dbraw/zinc/15/34/37/491153437.db2.gz UZGFDZFFQYHGBS-CQSZACIVSA-N 1 0 233.380 3.159 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000309644833 385767006 /nfs/dbraw/zinc/76/70/06/385767006.db2.gz PWPNUBFVKKZGCM-AAEUAGOBSA-N 1 0 225.351 3.295 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000309644836 385768429 /nfs/dbraw/zinc/76/84/29/385768429.db2.gz PWPNUBFVKKZGCM-DGCLKSJQSA-N 1 0 225.351 3.295 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CC1(C2CC2)CC1 ZINC000309644839 385768492 /nfs/dbraw/zinc/76/84/92/385768492.db2.gz PWPNUBFVKKZGCM-WCQYABFASA-N 1 0 225.351 3.295 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CC1(C2CC2)CC1 ZINC000309644842 385767492 /nfs/dbraw/zinc/76/74/92/385767492.db2.gz PWPNUBFVKKZGCM-YPMHNXCESA-N 1 0 225.351 3.295 10 0 BGAERO COC1CC([NH2+]CCC2CCCCCC2)C1 ZINC000309649399 632614088 /nfs/dbraw/zinc/61/40/88/632614088.db2.gz NPDSVVHEJLYCHE-UHFFFAOYSA-N 1 0 225.376 3.114 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000309649664 385769601 /nfs/dbraw/zinc/76/96/01/385769601.db2.gz SCYNCQDCBNQURH-AGIUHOORSA-N 1 0 245.407 3.248 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000309649665 385770372 /nfs/dbraw/zinc/77/03/72/385770372.db2.gz SCYNCQDCBNQURH-AVGNSLFASA-N 1 0 245.407 3.248 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000309649666 385770269 /nfs/dbraw/zinc/77/02/69/385770269.db2.gz SCYNCQDCBNQURH-FRRDWIJNSA-N 1 0 245.407 3.248 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000309649667 385769691 /nfs/dbraw/zinc/76/96/91/385769691.db2.gz SCYNCQDCBNQURH-RWMBFGLXSA-N 1 0 245.407 3.248 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC12CCCC2 ZINC000309655943 388460923 /nfs/dbraw/zinc/46/09/23/388460923.db2.gz VQIABPNEQUTMLN-AVGNSLFASA-N 1 0 225.351 3.437 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000309655947 388460946 /nfs/dbraw/zinc/46/09/46/388460946.db2.gz VQIABPNEQUTMLN-RWMBFGLXSA-N 1 0 225.351 3.437 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CC12CCCC2 ZINC000309655951 388460888 /nfs/dbraw/zinc/46/08/88/388460888.db2.gz VQIABPNEQUTMLN-XQQFMLRXSA-N 1 0 225.351 3.437 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC12CCCC2 ZINC000309655953 388460585 /nfs/dbraw/zinc/46/05/85/388460585.db2.gz VQIABPNEQUTMLN-YNEHKIRRSA-N 1 0 225.351 3.437 10 0 BGAERO CC(C)CCC[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309657503 632622043 /nfs/dbraw/zinc/62/20/43/632622043.db2.gz ZVANLJHJFHTIMU-CYBMUJFWSA-N 1 0 220.360 3.418 10 0 BGAERO CC(C)CCC[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309657504 632622170 /nfs/dbraw/zinc/62/21/70/632622170.db2.gz ZVANLJHJFHTIMU-ZDUSSCGKSA-N 1 0 220.360 3.418 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000309658343 384194955 /nfs/dbraw/zinc/19/49/55/384194955.db2.gz WXMJAEVNZYOWKX-XUXIUFHCSA-N 1 0 225.351 3.150 10 0 BGAERO Cc1occc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000309660198 491153936 /nfs/dbraw/zinc/15/39/36/491153936.db2.gz XLKGRIBRFNRKFF-AAEUAGOBSA-N 1 0 225.307 3.206 10 0 BGAERO Cc1occc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000309660199 491153966 /nfs/dbraw/zinc/15/39/66/491153966.db2.gz XLKGRIBRFNRKFF-DGCLKSJQSA-N 1 0 225.307 3.206 10 0 BGAERO Cc1occc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000309660201 491153899 /nfs/dbraw/zinc/15/38/99/491153899.db2.gz XLKGRIBRFNRKFF-WCQYABFASA-N 1 0 225.307 3.206 10 0 BGAERO Cc1occc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000309660202 491153942 /nfs/dbraw/zinc/15/39/42/491153942.db2.gz XLKGRIBRFNRKFF-YPMHNXCESA-N 1 0 225.307 3.206 10 0 BGAERO COC[C@H](C)[NH2+]CCC1C[C@@H](C)C[C@H](C)C1 ZINC000309661530 487999539 /nfs/dbraw/zinc/99/95/39/487999539.db2.gz RLPZHGIOTOQEIQ-AVGNSLFASA-N 1 0 227.392 3.073 10 0 BGAERO COC[C@H](C)[NH2+]CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309661532 487999713 /nfs/dbraw/zinc/99/97/13/487999713.db2.gz RLPZHGIOTOQEIQ-RFQIPJPRSA-N 1 0 227.392 3.073 10 0 BGAERO COC[C@@H](C)[NH2+]CC[C@H]1C[C@H](C)C[C@H](C)C1 ZINC000309661535 487999707 /nfs/dbraw/zinc/99/97/07/487999707.db2.gz RLPZHGIOTOQEIQ-RQJABVFESA-N 1 0 227.392 3.073 10 0 BGAERO COC[C@H](C)[NH2+]CCC1C[C@H](C)C[C@@H](C)C1 ZINC000309661537 487999178 /nfs/dbraw/zinc/99/91/78/487999178.db2.gz RLPZHGIOTOQEIQ-UPJWGTAASA-N 1 0 227.392 3.073 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000309661784 384193818 /nfs/dbraw/zinc/19/38/18/384193818.db2.gz AYSBAYTZOPCWOK-DDTOSNHZSA-N 1 0 215.340 3.407 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000309661787 384194577 /nfs/dbraw/zinc/19/45/77/384194577.db2.gz AYSBAYTZOPCWOK-HONMWMINSA-N 1 0 215.340 3.407 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+][C@@H]1CC(C)(C)c2ccccc21 ZINC000309661789 384193787 /nfs/dbraw/zinc/19/37/87/384193787.db2.gz AYSBAYTZOPCWOK-LERXQTSPSA-N 1 0 215.340 3.407 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+][C@H]1CC(C)(C)c2ccccc21 ZINC000309661792 533742122 /nfs/dbraw/zinc/74/21/22/533742122.db2.gz AYSBAYTZOPCWOK-SWHYSGLUSA-N 1 0 215.340 3.407 10 0 BGAERO c1ccc([C@@H]2C[C@@H]2[NH2+]C2(C3CC3)CC2)cc1 ZINC000309672472 411198307 /nfs/dbraw/zinc/19/83/07/411198307.db2.gz KMJPUWCALJFNGD-KBPBESRZSA-N 1 0 213.324 3.075 10 0 BGAERO c1ccc([C@H]2C[C@@H]2[NH2+]C2(C3CC3)CC2)cc1 ZINC000309672474 411198392 /nfs/dbraw/zinc/19/83/92/411198392.db2.gz KMJPUWCALJFNGD-KGLIPLIRSA-N 1 0 213.324 3.075 10 0 BGAERO c1ccc([C@@H]2C[C@H]2[NH2+]C2(C3CC3)CC2)cc1 ZINC000309672476 411198251 /nfs/dbraw/zinc/19/82/51/411198251.db2.gz KMJPUWCALJFNGD-UONOGXRCSA-N 1 0 213.324 3.075 10 0 BGAERO CC(C)C[C@@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309674905 633984818 /nfs/dbraw/zinc/98/48/18/633984818.db2.gz LHXSUMMWZCYNAO-BXUZGUMPSA-N 1 0 220.360 3.416 10 0 BGAERO CC(C)C[C@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309674906 632639936 /nfs/dbraw/zinc/63/99/36/632639936.db2.gz LHXSUMMWZCYNAO-FZMZJTMJSA-N 1 0 220.360 3.416 10 0 BGAERO CC(C)C[C@@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309674907 632640296 /nfs/dbraw/zinc/64/02/96/632640296.db2.gz LHXSUMMWZCYNAO-RISCZKNCSA-N 1 0 220.360 3.416 10 0 BGAERO CC(C)C[C@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309674908 633984522 /nfs/dbraw/zinc/98/45/22/633984522.db2.gz LHXSUMMWZCYNAO-SMDDNHRTSA-N 1 0 220.360 3.416 10 0 BGAERO CC[C@@H]([NH2+]CCOCCC(C)C)C(C)(C)C ZINC000309685101 529166338 /nfs/dbraw/zinc/16/63/38/529166338.db2.gz HDFMTJLFBQOQLY-CYBMUJFWSA-N 1 0 229.408 3.463 10 0 BGAERO CC[C@H]([NH2+]CCOCCC(C)C)C(C)(C)C ZINC000309685102 529603183 /nfs/dbraw/zinc/60/31/83/529603183.db2.gz HDFMTJLFBQOQLY-ZDUSSCGKSA-N 1 0 229.408 3.463 10 0 BGAERO CC[C@@H]([NH2+]Cc1ccc(C)nc1)C(C)(C)C ZINC000309686851 347133467 /nfs/dbraw/zinc/13/34/67/347133467.db2.gz HNVVZFNNXZTNPL-CYBMUJFWSA-N 1 0 220.360 3.304 10 0 BGAERO CC[C@H]([NH2+]Cc1ccc(C)nc1)C(C)(C)C ZINC000309686852 385789678 /nfs/dbraw/zinc/78/96/78/385789678.db2.gz HNVVZFNNXZTNPL-ZDUSSCGKSA-N 1 0 220.360 3.304 10 0 BGAERO CC(C)[C@H](C)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000309687683 632651552 /nfs/dbraw/zinc/65/15/52/632651552.db2.gz ORKINNCIPHNCTC-GXFFZTMASA-N 1 0 241.762 3.008 10 0 BGAERO CC(C)[C@@H](C)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000309687684 632651293 /nfs/dbraw/zinc/65/12/93/632651293.db2.gz ORKINNCIPHNCTC-ZWNOBZJWSA-N 1 0 241.762 3.008 10 0 BGAERO CSC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCC1 ZINC000309688070 384732559 /nfs/dbraw/zinc/73/25/59/384732559.db2.gz ICKZJXOPHJYTQK-NEPJUHHUSA-N 1 0 245.407 3.390 10 0 BGAERO CSC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCC1 ZINC000309688073 384732870 /nfs/dbraw/zinc/73/28/70/384732870.db2.gz ICKZJXOPHJYTQK-NWDGAFQWSA-N 1 0 245.407 3.390 10 0 BGAERO CSC1(C[NH2+][C@H]2CCC[C@H]2CCF)CCC1 ZINC000309688075 385790142 /nfs/dbraw/zinc/79/01/42/385790142.db2.gz ICKZJXOPHJYTQK-RYUDHWBXSA-N 1 0 245.407 3.390 10 0 BGAERO CSC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCC1 ZINC000309688342 385789407 /nfs/dbraw/zinc/78/94/07/385789407.db2.gz ICKZJXOPHJYTQK-VXGBXAGGSA-N 1 0 245.407 3.390 10 0 BGAERO CC[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000309689005 386311606 /nfs/dbraw/zinc/31/16/06/386311606.db2.gz IMTOHVPLQIBHBA-BZPMIXESSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000309689006 384202513 /nfs/dbraw/zinc/20/25/13/384202513.db2.gz IMTOHVPLQIBHBA-CRWXNKLISA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000309689007 384202555 /nfs/dbraw/zinc/20/25/55/384202555.db2.gz IMTOHVPLQIBHBA-OBJOEFQTSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000309689008 384201797 /nfs/dbraw/zinc/20/17/97/384201797.db2.gz IMTOHVPLQIBHBA-XJFOESAGSA-N 1 0 227.392 3.214 10 0 BGAERO COc1ccccc1[C@@H](C)[NH2+]C[Si](C)(C)C ZINC000309693733 633989718 /nfs/dbraw/zinc/98/97/18/633989718.db2.gz KMISBZRXWGUEEO-LLVKDONJSA-N 1 0 237.419 3.223 10 0 BGAERO COc1ccccc1[C@H](C)[NH2+]C[Si](C)(C)C ZINC000309693735 633988765 /nfs/dbraw/zinc/98/87/65/633988765.db2.gz KMISBZRXWGUEEO-NSHDSACASA-N 1 0 237.419 3.223 10 0 BGAERO Cc1ccnc(C[NH2+][C@@H](C)c2cccs2)c1 ZINC000309694362 491154630 /nfs/dbraw/zinc/15/46/30/491154630.db2.gz KQTVJXUKQAYDDJ-NSHDSACASA-N 1 0 232.352 3.302 10 0 BGAERO Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]2CCF)s1 ZINC000309699387 370245379 /nfs/dbraw/zinc/24/53/79/370245379.db2.gz MBZJAKANKFOHDD-GHMZBOCLSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1cnc(C[NH2+][C@H]2CCC[C@@H]2CCF)s1 ZINC000309699388 370244698 /nfs/dbraw/zinc/24/46/98/370244698.db2.gz MBZJAKANKFOHDD-MNOVXSKESA-N 1 0 242.363 3.069 10 0 BGAERO Cc1cnc(C[NH2+][C@H]2CCC[C@H]2CCF)s1 ZINC000309699389 370245001 /nfs/dbraw/zinc/24/50/01/370245001.db2.gz MBZJAKANKFOHDD-QWRGUYRKSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1cnc(C[NH2+][C@@H]2CCC[C@H]2CCF)s1 ZINC000309699390 370245470 /nfs/dbraw/zinc/24/54/70/370245470.db2.gz MBZJAKANKFOHDD-WDEREUQCSA-N 1 0 242.363 3.069 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000309700727 528897002 /nfs/dbraw/zinc/89/70/02/528897002.db2.gz MNNAJAODZAEAAW-FQUUOJAGSA-N 1 0 227.392 3.358 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309700733 388461749 /nfs/dbraw/zinc/46/17/49/388461749.db2.gz MNNAJAODZAEAAW-IGQOVBAYSA-N 1 0 227.392 3.358 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000309700740 388461202 /nfs/dbraw/zinc/46/12/02/388461202.db2.gz MNNAJAODZAEAAW-XDQVBPFNSA-N 1 0 227.392 3.358 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309700747 528895995 /nfs/dbraw/zinc/89/59/95/528895995.db2.gz MNNAJAODZAEAAW-XUXIUFHCSA-N 1 0 227.392 3.358 10 0 BGAERO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]CC(C)(C)C ZINC000309704209 411214009 /nfs/dbraw/zinc/21/40/09/411214009.db2.gz NSWICQYNTQPOTP-UONOGXRCSA-N 1 0 217.356 3.487 10 0 BGAERO CC[C@@H]([NH2+]CC1(O)CCCCC1)C(C)(C)C ZINC000309704273 388461296 /nfs/dbraw/zinc/46/12/96/388461296.db2.gz NUBWYLXWGKJLAW-GFCCVEGCSA-N 1 0 227.392 3.096 10 0 BGAERO CC[C@H]([NH2+]CC1(O)CCCCC1)C(C)(C)C ZINC000309704275 388461563 /nfs/dbraw/zinc/46/15/63/388461563.db2.gz NUBWYLXWGKJLAW-LBPRGKRZSA-N 1 0 227.392 3.096 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCCCC(C)C)o1 ZINC000309705754 633230353 /nfs/dbraw/zinc/23/03/53/633230353.db2.gz VFNQHBRJNLGGIN-LBPRGKRZSA-N 1 0 224.348 3.460 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000309707038 384214688 /nfs/dbraw/zinc/21/46/88/384214688.db2.gz PBOAUDNEZKXGEH-CYDGBPFRSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309707039 384214324 /nfs/dbraw/zinc/21/43/24/384214324.db2.gz PBOAUDNEZKXGEH-HPCHECBXSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000309707040 384213148 /nfs/dbraw/zinc/21/31/48/384213148.db2.gz PBOAUDNEZKXGEH-LOWDOPEQSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309707041 384213055 /nfs/dbraw/zinc/21/30/55/384213055.db2.gz PBOAUDNEZKXGEH-QNSTZXKLSA-N 1 0 227.392 3.214 10 0 BGAERO CCCCCC[C@H](O)C[NH2+][C@@H](C)[C@@H](C)CC ZINC000309708664 633996470 /nfs/dbraw/zinc/99/64/70/633996470.db2.gz PTINODARZRXAOO-IHRRRGAJSA-N 1 0 229.408 3.342 10 0 BGAERO CCCCCC[C@H](O)C[NH2+][C@H](C)[C@H](C)CC ZINC000309708665 633995197 /nfs/dbraw/zinc/99/51/97/633995197.db2.gz PTINODARZRXAOO-MCIONIFRSA-N 1 0 229.408 3.342 10 0 BGAERO CCCCCC[C@H](O)C[NH2+][C@H](C)[C@@H](C)CC ZINC000309708666 633230578 /nfs/dbraw/zinc/23/05/78/633230578.db2.gz PTINODARZRXAOO-MJBXVCDLSA-N 1 0 229.408 3.342 10 0 BGAERO CCCCCC[C@H](O)C[NH2+][C@@H](C)[C@H](C)CC ZINC000309708667 633231288 /nfs/dbraw/zinc/23/12/88/633231288.db2.gz PTINODARZRXAOO-RDBSUJKOSA-N 1 0 229.408 3.342 10 0 BGAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309722136 633998150 /nfs/dbraw/zinc/99/81/50/633998150.db2.gz WHJVGLLARPQNNY-MPKXVKKWSA-N 1 0 218.344 3.170 10 0 BGAERO CC[C@H]([NH2+][C@@H](CC)C1CCOCC1)C(C)C ZINC000309727176 491155169 /nfs/dbraw/zinc/15/51/69/491155169.db2.gz YJAWGRXSHYCXKG-KBPBESRZSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H]([NH2+][C@@H](CC)C1CCOCC1)C(C)C ZINC000309727178 491155193 /nfs/dbraw/zinc/15/51/93/491155193.db2.gz YJAWGRXSHYCXKG-KGLIPLIRSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H]([NH2+][C@@H](CC)C(C)C)C1CCOCC1 ZINC000309727180 491155168 /nfs/dbraw/zinc/15/51/68/491155168.db2.gz YJAWGRXSHYCXKG-UONOGXRCSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H]([NH2+][C@H](CC)C1CCOCC1)C(C)C ZINC000309727182 491155126 /nfs/dbraw/zinc/15/51/26/491155126.db2.gz YJAWGRXSHYCXKG-ZIAGYGMSSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000309727250 529343937 /nfs/dbraw/zinc/34/39/37/529343937.db2.gz YKNDWQUJIMEDKK-DFBGVHRSSA-N 1 0 215.340 3.452 10 0 BGAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000309727262 388463247 /nfs/dbraw/zinc/46/32/47/388463247.db2.gz YKNDWQUJIMEDKK-UGFHNGPFSA-N 1 0 215.340 3.452 10 0 BGAERO C[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCCS1 ZINC000309732238 384572952 /nfs/dbraw/zinc/57/29/52/384572952.db2.gz BLDBYGXNOPGFQQ-FRRDWIJNSA-N 1 0 245.407 3.390 10 0 BGAERO C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCCS1 ZINC000309732241 384572630 /nfs/dbraw/zinc/57/26/30/384572630.db2.gz BLDBYGXNOPGFQQ-JHJVBQTASA-N 1 0 245.407 3.390 10 0 BGAERO C[C@]1(C[NH2+][C@H]2CCC[C@H]2CCF)CCCS1 ZINC000309732244 384572077 /nfs/dbraw/zinc/57/20/77/384572077.db2.gz BLDBYGXNOPGFQQ-RWMBFGLXSA-N 1 0 245.407 3.390 10 0 BGAERO C[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCCS1 ZINC000309732245 384573229 /nfs/dbraw/zinc/57/32/29/384573229.db2.gz BLDBYGXNOPGFQQ-YNEHKIRRSA-N 1 0 245.407 3.390 10 0 BGAERO CCCC[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000309741108 487539211 /nfs/dbraw/zinc/53/92/11/487539211.db2.gz HTKCBDAHULNNNM-BFHYXJOUSA-N 1 0 227.392 3.048 10 0 BGAERO CCCC[C@H](C)[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000309741109 487541136 /nfs/dbraw/zinc/54/11/36/487541136.db2.gz HTKCBDAHULNNNM-IHRRRGAJSA-N 1 0 227.392 3.048 10 0 BGAERO CCCC[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000309741110 487541027 /nfs/dbraw/zinc/54/10/27/487541027.db2.gz HTKCBDAHULNNNM-MELADBBJSA-N 1 0 227.392 3.048 10 0 BGAERO CCCC[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000309741111 487540844 /nfs/dbraw/zinc/54/08/44/487540844.db2.gz HTKCBDAHULNNNM-MJBXVCDLSA-N 1 0 227.392 3.048 10 0 BGAERO CC1(C)CC[C@H]1[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309750780 632664145 /nfs/dbraw/zinc/66/41/45/632664145.db2.gz GQECLTXUWBKWQN-CHWSQXEVSA-N 1 0 218.344 3.170 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309750781 632664930 /nfs/dbraw/zinc/66/49/30/632664930.db2.gz GQECLTXUWBKWQN-OLZOCXBDSA-N 1 0 218.344 3.170 10 0 BGAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309750782 633237320 /nfs/dbraw/zinc/23/73/20/633237320.db2.gz GQECLTXUWBKWQN-QWHCGFSZSA-N 1 0 218.344 3.170 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309750783 634001605 /nfs/dbraw/zinc/00/16/05/634001605.db2.gz GQECLTXUWBKWQN-STQMWFEESA-N 1 0 218.344 3.170 10 0 BGAERO CC1CCC(C[NH2+]CCCOC(F)F)CC1 ZINC000309770832 384599674 /nfs/dbraw/zinc/59/96/74/384599674.db2.gz KKBZDGWXVRXUPP-UHFFFAOYSA-N 1 0 235.318 3.032 10 0 BGAERO C[C@@H](CC1CC1)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309778261 634004808 /nfs/dbraw/zinc/00/48/08/634004808.db2.gz QILROVPUMAXOTB-HZMBPMFUSA-N 1 0 218.344 3.170 10 0 BGAERO C[C@@H](CC1CC1)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309778262 632669123 /nfs/dbraw/zinc/66/91/23/632669123.db2.gz QILROVPUMAXOTB-IINYFYTJSA-N 1 0 218.344 3.170 10 0 BGAERO C[C@H](CC1CC1)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000309778263 632668578 /nfs/dbraw/zinc/66/85/78/632668578.db2.gz QILROVPUMAXOTB-QMTHXVAHSA-N 1 0 218.344 3.170 10 0 BGAERO C[C@H](CC1CC1)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000309778264 632668730 /nfs/dbraw/zinc/66/87/30/632668730.db2.gz QILROVPUMAXOTB-YGRLFVJLSA-N 1 0 218.344 3.170 10 0 BGAERO Cc1ccc([C@H]([NH2+][C@H]2C[C@@H]2C)C2CCC2)o1 ZINC000309784532 178911445 /nfs/dbraw/zinc/91/14/45/178911445.db2.gz NQWBSDDNAQQBRW-DUFXMDAXSA-N 1 0 219.328 3.427 10 0 BGAERO Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C)C2CCC2)o1 ZINC000309784533 384608576 /nfs/dbraw/zinc/60/85/76/384608576.db2.gz NQWBSDDNAQQBRW-GAJTVXKRSA-N 1 0 219.328 3.427 10 0 BGAERO Cc1ccc([C@H]([NH2+][C@H]2C[C@H]2C)C2CCC2)o1 ZINC000309784535 384609546 /nfs/dbraw/zinc/60/95/46/384609546.db2.gz NQWBSDDNAQQBRW-LJWDBELGSA-N 1 0 219.328 3.427 10 0 BGAERO Cc1ccc([C@H]([NH2+][C@@H]2C[C@@H]2C)C2CCC2)o1 ZINC000309784536 384608242 /nfs/dbraw/zinc/60/82/42/384608242.db2.gz NQWBSDDNAQQBRW-MRCXROJRSA-N 1 0 219.328 3.427 10 0 BGAERO Cc1nc2ccc(C[NH2+][C@H]3C[C@H]3C)cc2s1 ZINC000309786260 180091589 /nfs/dbraw/zinc/09/15/89/180091589.db2.gz OCVDBNLUYNYZIJ-PELKAZGASA-N 1 0 232.352 3.103 10 0 BGAERO Cc1nc2ccc(C[NH2+][C@@H]3C[C@H]3C)cc2s1 ZINC000309786261 180090119 /nfs/dbraw/zinc/09/01/19/180090119.db2.gz OCVDBNLUYNYZIJ-PRHODGIISA-N 1 0 232.352 3.103 10 0 BGAERO Cc1nc2ccc(C[NH2+][C@@H]3C[C@@H]3C)cc2s1 ZINC000309786262 180091948 /nfs/dbraw/zinc/09/19/48/180091948.db2.gz OCVDBNLUYNYZIJ-QPUJVOFHSA-N 1 0 232.352 3.103 10 0 BGAERO Cc1nc2ccc(C[NH2+][C@H]3C[C@@H]3C)cc2s1 ZINC000309786263 180090960 /nfs/dbraw/zinc/09/09/60/180090960.db2.gz OCVDBNLUYNYZIJ-UFBFGSQYSA-N 1 0 232.352 3.103 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]CCC(C)(C)C)C[C@H](C)O1 ZINC000309797046 177362065 /nfs/dbraw/zinc/36/20/65/177362065.db2.gz QJBLYAUKXVXUKN-CLLJXQQHSA-N 1 0 227.392 3.216 10 0 BGAERO C[C@H]1CC(C[NH2+]CCC(C)(C)C)C[C@H](C)O1 ZINC000309797047 191066319 /nfs/dbraw/zinc/06/63/19/191066319.db2.gz QJBLYAUKXVXUKN-RYUDHWBXSA-N 1 0 227.392 3.216 10 0 BGAERO C[C@@H]1CC(C[NH2+]CCC(C)(C)C)C[C@@H](C)O1 ZINC000309797048 384611871 /nfs/dbraw/zinc/61/18/71/384611871.db2.gz QJBLYAUKXVXUKN-VXGBXAGGSA-N 1 0 227.392 3.216 10 0 BGAERO C[C@@H]1OCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC000309806957 388465749 /nfs/dbraw/zinc/46/57/49/388465749.db2.gz SKIUQSIUECYBMX-GXTWGEPZSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@H]1OCC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000309806958 388465795 /nfs/dbraw/zinc/46/57/95/388465795.db2.gz SKIUQSIUECYBMX-JSGCOSHPSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@H]1OCC[C@@H]1[NH2+]CCC1CCCCCC1 ZINC000309806960 388465828 /nfs/dbraw/zinc/46/58/28/388465828.db2.gz SKIUQSIUECYBMX-OCCSQVGLSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@H]1OCC[C@H]1[NH2+]CCC1CCCCCC1 ZINC000309806961 534128139 /nfs/dbraw/zinc/12/81/39/534128139.db2.gz SKIUQSIUECYBMX-TZMCWYRMSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000309811522 388465353 /nfs/dbraw/zinc/46/53/53/388465353.db2.gz UHSOHHNRBKEDNB-NOZJJQNGSA-N 1 0 241.737 3.410 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000309811523 388465279 /nfs/dbraw/zinc/46/52/79/388465279.db2.gz UHSOHHNRBKEDNB-RNCFNFMXSA-N 1 0 241.737 3.410 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000309811524 229469067 /nfs/dbraw/zinc/46/90/67/229469067.db2.gz UHSOHHNRBKEDNB-TVQRCGJNSA-N 1 0 241.737 3.410 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]CCCc1c(F)cccc1Cl ZINC000309811525 388465744 /nfs/dbraw/zinc/46/57/44/388465744.db2.gz UHSOHHNRBKEDNB-ZANVPECISA-N 1 0 241.737 3.410 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000309821447 533742244 /nfs/dbraw/zinc/74/22/44/533742244.db2.gz WJWGLXYJJKMESU-ABAIWWIYSA-N 1 0 215.340 3.063 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000309821449 409887645 /nfs/dbraw/zinc/88/76/45/409887645.db2.gz WJWGLXYJJKMESU-IAQYHMDHSA-N 1 0 215.340 3.063 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000309821451 409888942 /nfs/dbraw/zinc/88/89/42/409888942.db2.gz WJWGLXYJJKMESU-NHYWBVRUSA-N 1 0 215.340 3.063 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000309821453 398043457 /nfs/dbraw/zinc/04/34/57/398043457.db2.gz WJWGLXYJJKMESU-XHDPSFHLSA-N 1 0 215.340 3.063 10 0 BGAERO C[C@H]1CC[C@H]([NH2+]C2CSC2)c2ccccc21 ZINC000309827566 491157426 /nfs/dbraw/zinc/15/74/26/491157426.db2.gz XPOJHLJMJZRKHE-HZMBPMFUSA-N 1 0 233.380 3.330 10 0 BGAERO C[C@H]1CC[C@@H]([NH2+]C2CSC2)c2ccccc21 ZINC000309827568 491157380 /nfs/dbraw/zinc/15/73/80/491157380.db2.gz XPOJHLJMJZRKHE-IINYFYTJSA-N 1 0 233.380 3.330 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+]C2CSC2)c2ccccc21 ZINC000309827569 491157418 /nfs/dbraw/zinc/15/74/18/491157418.db2.gz XPOJHLJMJZRKHE-QMTHXVAHSA-N 1 0 233.380 3.330 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+]C2CSC2)c2ccccc21 ZINC000309827570 491157432 /nfs/dbraw/zinc/15/74/32/491157432.db2.gz XPOJHLJMJZRKHE-YGRLFVJLSA-N 1 0 233.380 3.330 10 0 BGAERO CC1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000309828596 168155079 /nfs/dbraw/zinc/15/50/79/168155079.db2.gz XXAMJQWYSNMWPA-UHFFFAOYSA-N 1 0 231.330 3.448 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCc3[nH]ccc32)C1 ZINC000309831928 632671964 /nfs/dbraw/zinc/67/19/64/632671964.db2.gz YTDULHSDEHKOPB-GYSYKLTISA-N 1 0 218.344 3.170 10 0 BGAERO C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCc3[nH]ccc32)C1 ZINC000309831929 633808804 /nfs/dbraw/zinc/80/88/04/633808804.db2.gz YTDULHSDEHKOPB-JTNHKYCSSA-N 1 0 218.344 3.170 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@H]2CCCc3[nH]ccc32)C1 ZINC000309831930 633808903 /nfs/dbraw/zinc/80/89/03/633808903.db2.gz YTDULHSDEHKOPB-SUNKGSAMSA-N 1 0 218.344 3.170 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCc3[nH]ccc32)C1 ZINC000309831931 633808160 /nfs/dbraw/zinc/80/81/60/633808160.db2.gz YTDULHSDEHKOPB-UHIISALHSA-N 1 0 218.344 3.170 10 0 BGAERO CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000309857769 384677502 /nfs/dbraw/zinc/67/75/02/384677502.db2.gz LFZHHVWZFYBUOK-BFHYXJOUSA-N 1 0 233.380 3.158 10 0 BGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000309857772 175551694 /nfs/dbraw/zinc/55/16/94/175551694.db2.gz LFZHHVWZFYBUOK-MELADBBJSA-N 1 0 233.380 3.158 10 0 BGAERO CC[C@@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309857888 388466317 /nfs/dbraw/zinc/46/63/17/388466317.db2.gz LIZZNHVSRVITPW-DYEKYZERSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@@H](C)[C@](C)(O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309857892 388466743 /nfs/dbraw/zinc/46/67/43/388466743.db2.gz LIZZNHVSRVITPW-MBNYWOFBSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309857895 388466839 /nfs/dbraw/zinc/46/68/39/388466839.db2.gz LIZZNHVSRVITPW-OBJOEFQTSA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@H](C)[C@](C)(O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000309857898 384675720 /nfs/dbraw/zinc/67/57/20/384675720.db2.gz LIZZNHVSRVITPW-SGMGOOAPSA-N 1 0 229.408 3.198 10 0 BGAERO [NH3+][C@@H](CF)c1ccc(OCc2ccccc2)cc1 ZINC000309865229 343974507 /nfs/dbraw/zinc/97/45/07/343974507.db2.gz FEYHJPSONDVQBV-HNNXBMFYSA-N 1 0 245.297 3.235 10 0 BGAERO [NH3+][C@H](CF)c1ccc(OCc2ccccc2)cc1 ZINC000309865231 347190021 /nfs/dbraw/zinc/19/00/21/347190021.db2.gz FEYHJPSONDVQBV-OAHLLOKOSA-N 1 0 245.297 3.235 10 0 BGAERO Cc1ccnc(C[NH2+][C@H](C)c2cccs2)c1 ZINC000309906719 491158034 /nfs/dbraw/zinc/15/80/34/491158034.db2.gz KQTVJXUKQAYDDJ-LLVKDONJSA-N 1 0 232.352 3.302 10 0 BGAERO Cc1nc(C)c(C[NH2+][C@H](C)c2cccs2)o1 ZINC000309906830 491158088 /nfs/dbraw/zinc/15/80/88/491158088.db2.gz KTGXELKJOFCDJW-SECBINFHSA-N 1 0 236.340 3.204 10 0 BGAERO Cc1nc(C)c(C[NH2+][C@@H](C)c2cccs2)o1 ZINC000309906831 491158038 /nfs/dbraw/zinc/15/80/38/491158038.db2.gz KTGXELKJOFCDJW-VIFPVBQESA-N 1 0 236.340 3.204 10 0 BGAERO C[C@H]([NH2+]C[Si](C)(C)C)c1ccc(F)c(F)c1 ZINC000309914417 633935369 /nfs/dbraw/zinc/93/53/69/633935369.db2.gz OMUNKLGLFCMFOH-VIFPVBQESA-N 1 0 243.373 3.493 10 0 BGAERO CCc1cccnc1[C@H](C)[NH2+][C@H](C)C(C)C ZINC000309951829 388469667 /nfs/dbraw/zinc/46/96/67/388469667.db2.gz GJLAUOLFLDPPQF-NEPJUHHUSA-N 1 0 220.360 3.339 10 0 BGAERO CCc1cccnc1[C@@H](C)[NH2+][C@@H](C)C(C)C ZINC000309951830 388469978 /nfs/dbraw/zinc/46/99/78/388469978.db2.gz GJLAUOLFLDPPQF-NWDGAFQWSA-N 1 0 220.360 3.339 10 0 BGAERO CCc1cccnc1[C@H](C)[NH2+][C@@H](C)C(C)C ZINC000309951831 388469810 /nfs/dbraw/zinc/46/98/10/388469810.db2.gz GJLAUOLFLDPPQF-RYUDHWBXSA-N 1 0 220.360 3.339 10 0 BGAERO CCc1cccnc1[C@@H](C)[NH2+][C@H](C)C(C)C ZINC000309951832 529622460 /nfs/dbraw/zinc/62/24/60/529622460.db2.gz GJLAUOLFLDPPQF-VXGBXAGGSA-N 1 0 220.360 3.339 10 0 BGAERO COC1CC([NH2+][C@@H](C)C[C@@H](C)CC(C)C)C1 ZINC000309976435 634055250 /nfs/dbraw/zinc/05/52/50/634055250.db2.gz TWLRVSQFADGLOX-FEPKRQSRSA-N 1 0 227.392 3.214 10 0 BGAERO COC1CC([NH2+][C@H](C)C[C@H](C)CC(C)C)C1 ZINC000309976436 634009874 /nfs/dbraw/zinc/00/98/74/634009874.db2.gz TWLRVSQFADGLOX-IWMBGFJWSA-N 1 0 227.392 3.214 10 0 BGAERO COC1CC([NH2+][C@@H](C)C[C@H](C)CC(C)C)C1 ZINC000309976437 634010779 /nfs/dbraw/zinc/01/07/79/634010779.db2.gz TWLRVSQFADGLOX-KBHBFKLGSA-N 1 0 227.392 3.214 10 0 BGAERO COC1CC([NH2+][C@H](C)C[C@@H](C)CC(C)C)C1 ZINC000309976438 634010343 /nfs/dbraw/zinc/01/03/43/634010343.db2.gz TWLRVSQFADGLOX-MRFVTOPCSA-N 1 0 227.392 3.214 10 0 BGAERO COCCC(C)(C)[NH2+]CC1CCC(C)CC1 ZINC000309983664 174147166 /nfs/dbraw/zinc/14/71/66/174147166.db2.gz XIMDNJUTWQAEFP-UHFFFAOYSA-N 1 0 227.392 3.217 10 0 BGAERO CCCN(CC)CC[NH2+][C@H](CC)C(C)(C)C ZINC000309992044 388470749 /nfs/dbraw/zinc/47/07/49/388470749.db2.gz BGWQSYJUJSBTGF-CYBMUJFWSA-N 1 0 228.424 3.133 10 0 BGAERO CCCN(CC)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000309992045 388471187 /nfs/dbraw/zinc/47/11/87/388471187.db2.gz BGWQSYJUJSBTGF-ZDUSSCGKSA-N 1 0 228.424 3.133 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000309993155 491159626 /nfs/dbraw/zinc/15/96/26/491159626.db2.gz BMDBDDXYITVLJG-GHMZBOCLSA-N 1 0 236.384 3.299 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000309993156 491159605 /nfs/dbraw/zinc/15/96/05/491159605.db2.gz BMDBDDXYITVLJG-MNOVXSKESA-N 1 0 236.384 3.299 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1scnc1C1CC1 ZINC000309993157 491159616 /nfs/dbraw/zinc/15/96/16/491159616.db2.gz BMDBDDXYITVLJG-QWRGUYRKSA-N 1 0 236.384 3.299 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1scnc1C1CC1 ZINC000309993158 491159613 /nfs/dbraw/zinc/15/96/13/491159613.db2.gz BMDBDDXYITVLJG-WDEREUQCSA-N 1 0 236.384 3.299 10 0 BGAERO CCC[C@H]([NH2+]C1CC(OC)C1)c1ccsc1 ZINC000309997392 634056595 /nfs/dbraw/zinc/05/65/95/634056595.db2.gz CKWHZUFSPMCTRG-BPCQOVAHSA-N 1 0 239.384 3.356 10 0 BGAERO CCC[C@@H]([NH2+]C1CC(OC)C1)c1ccsc1 ZINC000309997393 634057701 /nfs/dbraw/zinc/05/77/01/634057701.db2.gz CKWHZUFSPMCTRG-WXRRBKDZSA-N 1 0 239.384 3.356 10 0 BGAERO CCC[C@H](C)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000309998797 169481218 /nfs/dbraw/zinc/48/12/18/169481218.db2.gz DDSDTHIVHQOULO-AVGNSLFASA-N 1 0 227.392 3.216 10 0 BGAERO CCC[C@H](C)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309998798 384771598 /nfs/dbraw/zinc/77/15/98/384771598.db2.gz DDSDTHIVHQOULO-FQUUOJAGSA-N 1 0 227.392 3.216 10 0 BGAERO CCC[C@@H](C)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000309998799 169359880 /nfs/dbraw/zinc/35/98/80/169359880.db2.gz DDSDTHIVHQOULO-YIYPIFLZSA-N 1 0 227.392 3.216 10 0 BGAERO CCC[C@H](C)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000309998800 385011976 /nfs/dbraw/zinc/01/19/76/385011976.db2.gz DDSDTHIVHQOULO-YNEHKIRRSA-N 1 0 227.392 3.216 10 0 BGAERO [NH3+][C@@H](CF)c1ccccc1OCc1ccccc1 ZINC000309999881 344156220 /nfs/dbraw/zinc/15/62/20/344156220.db2.gz DJONVMKBUBEWKQ-AWEZNQCLSA-N 1 0 245.297 3.235 10 0 BGAERO [NH3+][C@H](CF)c1ccccc1OCc1ccccc1 ZINC000309999882 344156368 /nfs/dbraw/zinc/15/63/68/344156368.db2.gz DJONVMKBUBEWKQ-CQSZACIVSA-N 1 0 245.297 3.235 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCOC[C@H]1C)C(C)(C)C ZINC000310000853 384551652 /nfs/dbraw/zinc/55/16/52/384551652.db2.gz DUWNMVALSMSUAG-AGIUHOORSA-N 1 0 227.392 3.073 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCOC[C@@H]1C)C(C)(C)C ZINC000310000854 384551203 /nfs/dbraw/zinc/55/12/03/384551203.db2.gz DUWNMVALSMSUAG-AVGNSLFASA-N 1 0 227.392 3.073 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCOC[C@H]1C)C(C)(C)C ZINC000310000855 256528669 /nfs/dbraw/zinc/52/86/69/256528669.db2.gz DUWNMVALSMSUAG-UPJWGTAASA-N 1 0 227.392 3.073 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCOC[C@@H]1C)C(C)(C)C ZINC000310000856 384550240 /nfs/dbraw/zinc/55/02/40/384550240.db2.gz DUWNMVALSMSUAG-XQQFMLRXSA-N 1 0 227.392 3.073 10 0 BGAERO CC[C@@H]([NH2+]Cc1cnccc1C)C(C)(C)C ZINC000310000857 347216831 /nfs/dbraw/zinc/21/68/31/347216831.db2.gz DUXSHHBYTZEXJF-CYBMUJFWSA-N 1 0 220.360 3.304 10 0 BGAERO CC[C@H]([NH2+]Cc1cnccc1C)C(C)(C)C ZINC000310000858 398329793 /nfs/dbraw/zinc/32/97/93/398329793.db2.gz DUXSHHBYTZEXJF-ZDUSSCGKSA-N 1 0 220.360 3.304 10 0 BGAERO CCC(CC)(CC)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000310003733 491158992 /nfs/dbraw/zinc/15/89/92/491158992.db2.gz FTUVTFYWWJPQAX-GFCCVEGCSA-N 1 0 229.408 3.199 10 0 BGAERO CCC(CC)(CC)C[NH2+]C[C@H](O)C(C)(C)C ZINC000310003734 491159015 /nfs/dbraw/zinc/15/90/15/491159015.db2.gz FTUVTFYWWJPQAX-LBPRGKRZSA-N 1 0 229.408 3.199 10 0 BGAERO CC[C@@H]([NH2+]CCc1scnc1C)C(C)(C)C ZINC000310005298 529171026 /nfs/dbraw/zinc/17/10/26/529171026.db2.gz GJZCOBVKRYYXFY-GFCCVEGCSA-N 1 0 240.416 3.408 10 0 BGAERO CC[C@H]([NH2+]CCc1scnc1C)C(C)(C)C ZINC000310005301 529609656 /nfs/dbraw/zinc/60/96/56/529609656.db2.gz GJZCOBVKRYYXFY-LBPRGKRZSA-N 1 0 240.416 3.408 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCc1nccs1 ZINC000310006147 384780271 /nfs/dbraw/zinc/78/02/71/384780271.db2.gz GRUFLPQJCYKFSH-NEPJUHHUSA-N 1 0 238.400 3.244 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCc1nccs1 ZINC000310006148 541311186 /nfs/dbraw/zinc/31/11/86/541311186.db2.gz GRUFLPQJCYKFSH-NWDGAFQWSA-N 1 0 238.400 3.244 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCc1nccs1 ZINC000310006149 384780364 /nfs/dbraw/zinc/78/03/64/384780364.db2.gz GRUFLPQJCYKFSH-RYUDHWBXSA-N 1 0 238.400 3.244 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCc1nccs1 ZINC000310006150 384781862 /nfs/dbraw/zinc/78/18/62/384781862.db2.gz GRUFLPQJCYKFSH-VXGBXAGGSA-N 1 0 238.400 3.244 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000310009278 527763442 /nfs/dbraw/zinc/76/34/42/527763442.db2.gz HZMYECAMCHDPKR-HZSPNIEDSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000310009279 527757049 /nfs/dbraw/zinc/75/70/49/527757049.db2.gz HZMYECAMCHDPKR-MCIONIFRSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCO1 ZINC000310009280 527764096 /nfs/dbraw/zinc/76/40/96/527764096.db2.gz HZMYECAMCHDPKR-MGPQQGTHSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000310009369 256528341 /nfs/dbraw/zinc/52/83/41/256528341.db2.gz HZMYECAMCHDPKR-RDBSUJKOSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC=CO1 ZINC000310011810 634071290 /nfs/dbraw/zinc/07/12/90/634071290.db2.gz IVBZFTREQOFZMG-HZSPNIEDSA-N 1 0 223.360 3.238 10 0 BGAERO 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CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(C)no1 ZINC000310016770 385027811 /nfs/dbraw/zinc/02/78/11/385027811.db2.gz LFMMEIUAXCHBQR-YPMHNXCESA-N 1 0 222.332 3.041 10 0 BGAERO [NH3+][C@@H](CF)c1cccc(OCc2ccccc2)c1 ZINC000310016982 344157360 /nfs/dbraw/zinc/15/73/60/344157360.db2.gz ONTBFMNNJSFYDG-HNNXBMFYSA-N 1 0 245.297 3.235 10 0 BGAERO [NH3+][C@H](CF)c1cccc(OCc2ccccc2)c1 ZINC000310016986 344157479 /nfs/dbraw/zinc/15/74/79/344157479.db2.gz ONTBFMNNJSFYDG-OAHLLOKOSA-N 1 0 245.297 3.235 10 0 BGAERO CC[C@@H]([NH2+]CCCOCC1CC1)C(C)(C)C ZINC000310017435 388472635 /nfs/dbraw/zinc/47/26/35/388472635.db2.gz LKVVIDOSGCABHZ-CYBMUJFWSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@H]([NH2+]CCCOCC1CC1)C(C)(C)C ZINC000310017436 388472749 /nfs/dbraw/zinc/47/27/49/388472749.db2.gz LKVVIDOSGCABHZ-ZDUSSCGKSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@H](Nc1ccnc(C2CC2)n1)C(C)C ZINC000310020210 385041729 /nfs/dbraw/zinc/04/17/29/385041729.db2.gz MVZDDLWVMUSIGA-NSHDSACASA-N 1 0 219.332 3.201 10 0 BGAERO 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CCC(CC)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000310030006 168361386 /nfs/dbraw/zinc/36/13/86/168361386.db2.gz QUHHTHCTEXEUOP-DABQJJPHSA-N 1 0 227.392 3.216 10 0 BGAERO CCC(CC)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000310030007 168359743 /nfs/dbraw/zinc/35/97/43/168359743.db2.gz QUHHTHCTEXEUOP-RYUDHWBXSA-N 1 0 227.392 3.216 10 0 BGAERO CCC(CC)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000310030008 168360450 /nfs/dbraw/zinc/36/04/50/168360450.db2.gz QUHHTHCTEXEUOP-VXGBXAGGSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCO[C@H](C)C1)C(C)(C)C ZINC000310032649 388474498 /nfs/dbraw/zinc/47/44/98/388474498.db2.gz RPCFRHJAGYQIHP-AGIUHOORSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCO[C@@H](C)C1)C(C)(C)C ZINC000310032650 388474573 /nfs/dbraw/zinc/47/45/73/388474573.db2.gz RPCFRHJAGYQIHP-AVGNSLFASA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCO[C@H](C)C1)C(C)(C)C ZINC000310032651 388474579 /nfs/dbraw/zinc/47/45/79/388474579.db2.gz RPCFRHJAGYQIHP-UPJWGTAASA-N 1 0 227.392 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10 0 BGAERO CCCC[NH+](CCCC)C[C@@H]1CCC[C@H](O)C1 ZINC000310544882 488130820 /nfs/dbraw/zinc/13/08/20/488130820.db2.gz UNZXRJKREUWRKK-CABCVRRESA-N 1 0 241.419 3.440 10 0 BGAERO CCCC[NH+](CCCC)C[C@H]1CCC[C@H](O)C1 ZINC000310544883 488130780 /nfs/dbraw/zinc/13/07/80/488130780.db2.gz UNZXRJKREUWRKK-GJZGRUSLSA-N 1 0 241.419 3.440 10 0 BGAERO CCCC[NH+](CCCC)C[C@@H]1CCC[C@@H](O)C1 ZINC000310544884 488130068 /nfs/dbraw/zinc/13/00/68/488130068.db2.gz UNZXRJKREUWRKK-HUUCEWRRSA-N 1 0 241.419 3.440 10 0 BGAERO CCCC[NH+](CCCC)C[C@H]1CCC[C@@H](O)C1 ZINC000310544885 488130748 /nfs/dbraw/zinc/13/07/48/488130748.db2.gz UNZXRJKREUWRKK-LSDHHAIUSA-N 1 0 241.419 3.440 10 0 BGAERO CC(C)CC[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CC1 ZINC000310551975 488163093 /nfs/dbraw/zinc/16/30/93/488163093.db2.gz WSWHPXYQDPJLHV-DZGCQCFKSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)CC[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CC1 ZINC000310551976 488163757 /nfs/dbraw/zinc/16/37/57/488163757.db2.gz WSWHPXYQDPJLHV-HIFRSBDPSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)CC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CC1 ZINC000310551977 488163140 /nfs/dbraw/zinc/16/31/40/488163140.db2.gz WSWHPXYQDPJLHV-UKRRQHHQSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)CC[N@H+](C[C@H]1CCC[C@H](O)C1)C1CC1 ZINC000310551978 488162586 /nfs/dbraw/zinc/16/25/86/488162586.db2.gz WSWHPXYQDPJLHV-ZFWWWQNUSA-N 1 0 239.403 3.048 10 0 BGAERO CC[C@]1(C)CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000310558397 634160918 /nfs/dbraw/zinc/16/09/18/634160918.db2.gz DCLDDOFHXSQKQX-CVEARBPZSA-N 1 0 247.382 3.016 10 0 BGAERO CC[C@@]1(C)CC[N@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000310558399 636265276 /nfs/dbraw/zinc/26/52/76/636265276.db2.gz DCLDDOFHXSQKQX-HOTGVXAUSA-N 1 0 247.382 3.016 10 0 BGAERO CC[C@]1(C)CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000310558401 636265318 /nfs/dbraw/zinc/26/53/18/636265318.db2.gz DCLDDOFHXSQKQX-HZPDHXFCSA-N 1 0 247.382 3.016 10 0 BGAERO CC[C@@]1(C)CC[N@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000310558403 632757701 /nfs/dbraw/zinc/75/77/01/632757701.db2.gz DCLDDOFHXSQKQX-JKSUJKDBSA-N 1 0 247.382 3.016 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1cccc(C)c1 ZINC000310656587 491162333 /nfs/dbraw/zinc/16/23/33/491162333.db2.gz DVSBUVLTEICKTG-JYJNAYRXSA-N 1 0 247.382 3.339 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1cccc(C)c1 ZINC000310656589 491162348 /nfs/dbraw/zinc/16/23/48/491162348.db2.gz DVSBUVLTEICKTG-OAGGEKHMSA-N 1 0 247.382 3.339 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1cccc(C)c1 ZINC000310656590 491162349 /nfs/dbraw/zinc/16/23/49/491162349.db2.gz DVSBUVLTEICKTG-PMPSAXMXSA-N 1 0 247.382 3.339 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1cccc(C)c1 ZINC000310656592 491162331 /nfs/dbraw/zinc/16/23/31/491162331.db2.gz DVSBUVLTEICKTG-XHSDSOJGSA-N 1 0 247.382 3.339 10 0 BGAERO C[C@@H](CC[NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000310679978 388487679 /nfs/dbraw/zinc/48/76/79/388487679.db2.gz RKDDAZKOZOJTIQ-DZGCQCFKSA-N 1 0 249.398 3.177 10 0 BGAERO C[C@H](CC[NH2+]C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000310679979 388487718 /nfs/dbraw/zinc/48/77/18/388487718.db2.gz RKDDAZKOZOJTIQ-HIFRSBDPSA-N 1 0 249.398 3.177 10 0 BGAERO C[C@H](CC[NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1 ZINC000310679980 388488108 /nfs/dbraw/zinc/48/81/08/388488108.db2.gz RKDDAZKOZOJTIQ-UKRRQHHQSA-N 1 0 249.398 3.177 10 0 BGAERO C[C@@H](CC[NH2+]C[C@H](O)C(C)(C)C)c1ccccc1 ZINC000310679981 398068934 /nfs/dbraw/zinc/06/89/34/398068934.db2.gz RKDDAZKOZOJTIQ-ZFWWWQNUSA-N 1 0 249.398 3.177 10 0 BGAERO CCOc1cccc(-c2ccc(CC[NH3+])cc2)c1 ZINC000310774706 711676450 /nfs/dbraw/zinc/67/64/50/711676450.db2.gz QAMROXCAVQUDMO-UHFFFAOYSA-N 1 0 241.334 3.254 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000310800155 386430592 /nfs/dbraw/zinc/43/05/92/386430592.db2.gz WXYRKZRUIDCHDH-ILXRZTDVSA-N 1 0 247.382 3.197 10 0 BGAERO Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000310800156 386430149 /nfs/dbraw/zinc/43/01/49/386430149.db2.gz WXYRKZRUIDCHDH-KFWWJZLASA-N 1 0 247.382 3.197 10 0 BGAERO CCC(CC)(C[NH2+][C@H]1CCc2ccccc21)OC ZINC000310840059 385063009 /nfs/dbraw/zinc/06/30/09/385063009.db2.gz HLEOJBUNLTXFNC-HNNXBMFYSA-N 1 0 247.382 3.469 10 0 BGAERO CCC(CC)(C[NH2+][C@@H]1CCc2ccccc21)OC ZINC000310840063 385061815 /nfs/dbraw/zinc/06/18/15/385061815.db2.gz HLEOJBUNLTXFNC-OAHLLOKOSA-N 1 0 247.382 3.469 10 0 BGAERO Cc1cnn(CC[NH2+][C@H](C)C2CCCCCC2)c1 ZINC000311021457 325120604 /nfs/dbraw/zinc/12/06/04/325120604.db2.gz USQFRVHMIWROAQ-CQSZACIVSA-N 1 0 249.402 3.140 10 0 BGAERO CCC1CCC([NH2+]Cc2oc(C)nc2C)CC1 ZINC000311710722 349988962 /nfs/dbraw/zinc/98/89/62/349988962.db2.gz VKUSUWMAZPRKFF-UHFFFAOYSA-N 1 0 236.359 3.350 10 0 BGAERO Cc1nc(C)c(C[NH2+][C@H]2CCc3ccccc32)o1 ZINC000311746818 346178441 /nfs/dbraw/zinc/17/84/41/346178441.db2.gz CDKLITAXRMKVLU-AWEZNQCLSA-N 1 0 242.322 3.069 10 0 BGAERO Cc1cc(-c2ccc(C[C@@H](C)[NH3+])cc2)sn1 ZINC000311761383 633163701 /nfs/dbraw/zinc/16/37/01/633163701.db2.gz LARFOMZORPATGK-SECBINFHSA-N 1 0 232.352 3.008 10 0 BGAERO Cc1cc(-c2ccc(C[C@H](C)[NH3+])cc2)sn1 ZINC000311761385 633164397 /nfs/dbraw/zinc/16/43/97/633164397.db2.gz LARFOMZORPATGK-VIFPVBQESA-N 1 0 232.352 3.008 10 0 BGAERO Cc1cc(-c2ccc3c(c2)CC[C@H]3[NH3+])sn1 ZINC000311797555 633164303 /nfs/dbraw/zinc/16/43/03/633164303.db2.gz SISINAXMDFGVNO-GFCCVEGCSA-N 1 0 230.336 3.065 10 0 BGAERO Cc1nc(C)c(C[NH2+][C@H](C)c2cccc(C)c2)o1 ZINC000311868792 411558661 /nfs/dbraw/zinc/55/86/61/411558661.db2.gz TZYNFXYNNJDIHO-LLVKDONJSA-N 1 0 244.338 3.451 10 0 BGAERO Cc1nc(C)c(C[NH2+][C@@H](C)c2cccc(C)c2)o1 ZINC000311868793 411558596 /nfs/dbraw/zinc/55/85/96/411558596.db2.gz TZYNFXYNNJDIHO-NSHDSACASA-N 1 0 244.338 3.451 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312290895 388511491 /nfs/dbraw/zinc/51/14/91/388511491.db2.gz XVGTWEZEKANVLC-BXUZGUMPSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312290896 388511673 /nfs/dbraw/zinc/51/16/73/388511673.db2.gz XVGTWEZEKANVLC-FZMZJTMJSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312290897 388511555 /nfs/dbraw/zinc/51/15/55/388511555.db2.gz XVGTWEZEKANVLC-RISCZKNCSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(F)cc(OC)c1 ZINC000312290898 388511239 /nfs/dbraw/zinc/51/12/39/388511239.db2.gz XVGTWEZEKANVLC-SMDDNHRTSA-N 1 0 237.318 3.113 10 0 BGAERO c1ccc(CC[NH2+]CCOCC2CCCC2)cc1 ZINC000313297563 711716559 /nfs/dbraw/zinc/71/65/59/711716559.db2.gz LTHZQHTWYLQDKH-UHFFFAOYSA-N 1 0 247.382 3.026 10 0 BGAERO CCC[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)C1CCCC1 ZINC000313388226 711720746 /nfs/dbraw/zinc/72/07/46/711720746.db2.gz IRLFNLKUUFNKQB-KKUMJFAQSA-N 1 0 239.403 3.096 10 0 BGAERO CCC[C@H]([NH2+]C[C@H]1CCC[C@H]1O)C1CCCC1 ZINC000313388227 711720675 /nfs/dbraw/zinc/72/06/75/711720675.db2.gz IRLFNLKUUFNKQB-QLFBSQMISA-N 1 0 239.403 3.096 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000313389466 411462204 /nfs/dbraw/zinc/46/22/04/411462204.db2.gz KBHQNQCUYGRTGN-ILXRZTDVSA-N 1 0 239.403 3.238 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000313389469 411462028 /nfs/dbraw/zinc/46/20/28/411462028.db2.gz KBHQNQCUYGRTGN-KFWWJZLASA-N 1 0 239.403 3.238 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)C1CCCC1 ZINC000313389471 411462219 /nfs/dbraw/zinc/46/22/19/411462219.db2.gz KBHQNQCUYGRTGN-KKUMJFAQSA-N 1 0 239.403 3.238 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)C1CCCC1 ZINC000313389473 411462252 /nfs/dbraw/zinc/46/22/52/411462252.db2.gz KBHQNQCUYGRTGN-ZNMIVQPWSA-N 1 0 239.403 3.238 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000313401405 491124950 /nfs/dbraw/zinc/12/49/50/491124950.db2.gz VHCXDSFIIWHSQH-RRFJBIMHSA-N 1 0 239.403 3.238 10 0 BGAERO CCC[C@H]([NH2+]CCn1cc(C)cn1)C1CCCC1 ZINC000313423473 384360081 /nfs/dbraw/zinc/36/00/81/384360081.db2.gz GLMHICWIFWOXGJ-HNNXBMFYSA-N 1 0 249.402 3.140 10 0 BGAERO CCC[C@@H]([NH2+]CCn1cc(C)cn1)C1CCCC1 ZINC000313423474 384359805 /nfs/dbraw/zinc/35/98/05/384359805.db2.gz GLMHICWIFWOXGJ-OAHLLOKOSA-N 1 0 249.402 3.140 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCN(CC)C1)C1CCCC1 ZINC000313461805 384401178 /nfs/dbraw/zinc/40/11/78/384401178.db2.gz IBXQPRIRPUNDJI-CABCVRRESA-N 1 0 238.419 3.029 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCN(CC)C1)C1CCCC1 ZINC000313461806 384401237 /nfs/dbraw/zinc/40/12/37/384401237.db2.gz IBXQPRIRPUNDJI-GJZGRUSLSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[C@@H]([NH2+][C@@H]1CCN(CC)C1)C1CCCC1 ZINC000313461807 384402522 /nfs/dbraw/zinc/40/25/22/384402522.db2.gz IBXQPRIRPUNDJI-HUUCEWRRSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[C@@H]([NH2+][C@H]1CCN(CC)C1)C1CCCC1 ZINC000313461808 384403261 /nfs/dbraw/zinc/40/32/61/384403261.db2.gz IBXQPRIRPUNDJI-LSDHHAIUSA-N 1 0 238.419 3.029 10 0 BGAERO COc1ccc(-c2cccc(CC[NH3+])c2)c(C)c1 ZINC000313827279 384667752 /nfs/dbraw/zinc/66/77/52/384667752.db2.gz YVCZCCXSCAQIOR-UHFFFAOYSA-N 1 0 241.334 3.172 10 0 BGAERO Cc1ccc(C[NH2+]CCc2ccccc2)nc1C ZINC000314721101 636301231 /nfs/dbraw/zinc/30/12/31/636301231.db2.gz FGGOIQODSUFDOF-UHFFFAOYSA-N 1 0 240.350 3.031 10 0 BGAERO CCCCCC[C@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000318870976 635451351 /nfs/dbraw/zinc/45/13/51/635451351.db2.gz BSSLQATXPHOWCK-KGLIPLIRSA-N 1 0 227.392 3.050 10 0 BGAERO CCCCCC[C@@H](O)C[N@@H+]1CCC[C@@H](C)C1 ZINC000318870977 635450478 /nfs/dbraw/zinc/45/04/78/635450478.db2.gz BSSLQATXPHOWCK-ZIAGYGMSSA-N 1 0 227.392 3.050 10 0 BGAERO CC(C)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000319177683 487745664 /nfs/dbraw/zinc/74/56/64/487745664.db2.gz NTXLQMAYDISIOP-BYNSBNAKSA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000319177685 488046284 /nfs/dbraw/zinc/04/62/84/488046284.db2.gz NTXLQMAYDISIOP-GBJTYRQASA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@H](C)[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000319177688 488046260 /nfs/dbraw/zinc/04/62/60/488046260.db2.gz NTXLQMAYDISIOP-XQLPTFJDSA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@H](C)[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000319177690 488046764 /nfs/dbraw/zinc/04/67/64/488046764.db2.gz NTXLQMAYDISIOP-YJNKXOJESA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000319224382 488048692 /nfs/dbraw/zinc/04/86/92/488048692.db2.gz UBZUAWPEKWEQCS-BYNSBNAKSA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000319224383 488048652 /nfs/dbraw/zinc/04/86/52/488048652.db2.gz UBZUAWPEKWEQCS-GBJTYRQASA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000319224384 488048927 /nfs/dbraw/zinc/04/89/27/488048927.db2.gz UBZUAWPEKWEQCS-XQLPTFJDSA-N 1 0 239.403 3.046 10 0 BGAERO CC(C)[C@H](C)[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000319224385 488049026 /nfs/dbraw/zinc/04/90/26/488049026.db2.gz UBZUAWPEKWEQCS-YJNKXOJESA-N 1 0 239.403 3.046 10 0 BGAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321086108 387944782 /nfs/dbraw/zinc/94/47/82/387944782.db2.gz MPQYHHLNQBYGFM-CIQGVGRVSA-N 1 0 233.355 3.390 10 0 BGAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321086109 387944921 /nfs/dbraw/zinc/94/49/21/387944921.db2.gz MPQYHHLNQBYGFM-CZXHOFHRSA-N 1 0 233.355 3.390 10 0 BGAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321086111 387945743 /nfs/dbraw/zinc/94/57/43/387945743.db2.gz MPQYHHLNQBYGFM-FMSGJZPZSA-N 1 0 233.355 3.390 10 0 BGAERO COc1ccccc1[C@H](C)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321086112 387944945 /nfs/dbraw/zinc/94/49/45/387944945.db2.gz MPQYHHLNQBYGFM-GFQSEFKGSA-N 1 0 233.355 3.390 10 0 BGAERO CC[C@H]([NH2+]Cc1ccccc1OC)[C@@H]1C[C@H]1C ZINC000321111188 488127350 /nfs/dbraw/zinc/12/73/50/488127350.db2.gz QOGMJOVMCMNCRY-BNOWGMLFSA-N 1 0 233.355 3.219 10 0 BGAERO CC[C@H]([NH2+]Cc1ccccc1OC)[C@H]1C[C@@H]1C ZINC000321111189 488128055 /nfs/dbraw/zinc/12/80/55/488128055.db2.gz QOGMJOVMCMNCRY-UBHSHLNASA-N 1 0 233.355 3.219 10 0 BGAERO CC[C@H]([NH2+]Cc1ccccc1OC)[C@H]1C[C@H]1C ZINC000321111190 488127648 /nfs/dbraw/zinc/12/76/48/488127648.db2.gz QOGMJOVMCMNCRY-XBFCOCLRSA-N 1 0 233.355 3.219 10 0 BGAERO CC[C@H]([NH2+]Cc1ccccc1OC)[C@@H]1C[C@@H]1C ZINC000321111191 488128160 /nfs/dbraw/zinc/12/81/60/488128160.db2.gz QOGMJOVMCMNCRY-YUTCNCBUSA-N 1 0 233.355 3.219 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H]1C[C@@H]1C ZINC000321124145 387949424 /nfs/dbraw/zinc/94/94/24/387949424.db2.gz SIRGELYEIPABNU-DSJMHWKBSA-N 1 0 247.382 3.226 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@@H]1C[C@H]1C ZINC000321124146 387949688 /nfs/dbraw/zinc/94/96/88/387949688.db2.gz SIRGELYEIPABNU-IXYNUQLISA-N 1 0 247.382 3.226 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@H]1C[C@H]1C ZINC000321124147 387949993 /nfs/dbraw/zinc/94/99/93/387949993.db2.gz SIRGELYEIPABNU-KQTLUZQSSA-N 1 0 247.382 3.226 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@H](C)[C@H]1C[C@@H]1C ZINC000321124149 387949775 /nfs/dbraw/zinc/94/97/75/387949775.db2.gz SIRGELYEIPABNU-NHIYQJMISA-N 1 0 247.382 3.226 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@H]1C)c1nccs1 ZINC000321536254 387272857 /nfs/dbraw/zinc/27/28/57/387272857.db2.gz PWIHVLMYRQQBLA-DBIOUOCHSA-N 1 0 224.373 3.228 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@H]1C[C@@H]1C)c1nccs1 ZINC000321536255 387272998 /nfs/dbraw/zinc/27/29/98/387272998.db2.gz PWIHVLMYRQQBLA-VLEAKVRGSA-N 1 0 224.373 3.228 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@@H]1C[C@@H]1C)c1nccs1 ZINC000321536256 387272414 /nfs/dbraw/zinc/27/24/14/387272414.db2.gz PWIHVLMYRQQBLA-ZDCRXTMVSA-N 1 0 224.373 3.228 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@H]1C[C@H]1C)c1nccs1 ZINC000321536257 259475458 /nfs/dbraw/zinc/47/54/58/259475458.db2.gz PWIHVLMYRQQBLA-ZNSHCXBVSA-N 1 0 224.373 3.228 10 0 BGAERO C[C@@H]([NH2+][C@H]1CCc2ccccc21)[C@H]1C[C@H]1C ZINC000321537120 387272587 /nfs/dbraw/zinc/27/25/87/387272587.db2.gz PZDISLVDVSTBDM-FIXIBIHLSA-N 1 0 215.340 3.308 10 0 BGAERO C[C@H]([NH2+][C@H]1CCc2ccccc21)[C@H]1C[C@H]1C ZINC000321537123 387272925 /nfs/dbraw/zinc/27/29/25/387272925.db2.gz PZDISLVDVSTBDM-PKIAMQTDSA-N 1 0 215.340 3.308 10 0 BGAERO Cc1occc1C[NH2+][C@H]1CCOc2ccccc21 ZINC000321585881 387277643 /nfs/dbraw/zinc/27/76/43/387277643.db2.gz OVOZEILTBAUMGM-AWEZNQCLSA-N 1 0 243.306 3.201 10 0 BGAERO Cc1occc1C[NH2+][C@@H]1CCOc2ccccc21 ZINC000321585884 387277912 /nfs/dbraw/zinc/27/79/12/387277912.db2.gz OVOZEILTBAUMGM-CQSZACIVSA-N 1 0 243.306 3.201 10 0 BGAERO O[C@H]1CCC[C@@H](C[NH+]2CCCCCCCC2)C1 ZINC000321788410 644161233 /nfs/dbraw/zinc/16/12/33/644161233.db2.gz UIPMCWAZUIJRHK-CABCVRRESA-N 1 0 239.403 3.194 10 0 BGAERO O[C@H]1CCC[C@H](C[NH+]2CCCCCCCC2)C1 ZINC000321788411 644160511 /nfs/dbraw/zinc/16/05/11/644160511.db2.gz UIPMCWAZUIJRHK-GJZGRUSLSA-N 1 0 239.403 3.194 10 0 BGAERO O[C@@H]1CCC[C@@H](C[NH+]2CCCCCCCC2)C1 ZINC000321788412 644160992 /nfs/dbraw/zinc/16/09/92/644160992.db2.gz UIPMCWAZUIJRHK-HUUCEWRRSA-N 1 0 239.403 3.194 10 0 BGAERO O[C@@H]1CCC[C@H](C[NH+]2CCCCCCCC2)C1 ZINC000321788414 644161662 /nfs/dbraw/zinc/16/16/62/644161662.db2.gz UIPMCWAZUIJRHK-LSDHHAIUSA-N 1 0 239.403 3.194 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1C[C@H]1C ZINC000321876783 387309343 /nfs/dbraw/zinc/30/93/43/387309343.db2.gz INSDBQUSFWUHFN-MHDGFBEUSA-N 1 0 231.339 3.144 10 0 BGAERO C[C@@H]([NH2+][C@H]1CCOc2ccccc21)[C@H]1C[C@H]1C ZINC000321876785 387308916 /nfs/dbraw/zinc/30/89/16/387308916.db2.gz INSDBQUSFWUHFN-RFHZTLPTSA-N 1 0 231.339 3.144 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCOc2ccccc21)[C@H]1C[C@H]1C ZINC000321876787 387309487 /nfs/dbraw/zinc/30/94/87/387309487.db2.gz INSDBQUSFWUHFN-UVLXDEKHSA-N 1 0 231.339 3.144 10 0 BGAERO C[C@H]([NH2+][C@H]1CCOc2ccccc21)[C@H]1C[C@H]1C ZINC000321876789 259481024 /nfs/dbraw/zinc/48/10/24/259481024.db2.gz INSDBQUSFWUHFN-XWUBHJNHSA-N 1 0 231.339 3.144 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@H]1C[C@H]1C ZINC000321954350 387336795 /nfs/dbraw/zinc/33/67/95/387336795.db2.gz XLFPOKXSKKXYSU-DEKYYXRVSA-N 1 0 219.328 3.087 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@H]1C[C@@H]1C ZINC000321954351 387336499 /nfs/dbraw/zinc/33/64/99/387336499.db2.gz XLFPOKXSKKXYSU-DYNIEEOBSA-N 1 0 219.328 3.087 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@@H]1C[C@H]1C ZINC000321954352 387335641 /nfs/dbraw/zinc/33/56/41/387335641.db2.gz XLFPOKXSKKXYSU-FBKDDSFISA-N 1 0 219.328 3.087 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccc(O)c1)[C@@H]1C[C@@H]1C ZINC000321954353 387336063 /nfs/dbraw/zinc/33/60/63/387336063.db2.gz XLFPOKXSKKXYSU-KZWBYHQPSA-N 1 0 219.328 3.087 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)[C@@H]1C[C@@H]1C ZINC000321973739 387950306 /nfs/dbraw/zinc/95/03/06/387950306.db2.gz BIAWDWMFGWHVDI-DRABBMOASA-N 1 0 233.355 3.477 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)[C@H]1C[C@H]1C ZINC000321973746 387949625 /nfs/dbraw/zinc/94/96/25/387949625.db2.gz BIAWDWMFGWHVDI-FIXIBIHLSA-N 1 0 233.355 3.477 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)[C@@H]1C[C@H]1C ZINC000321973753 387949010 /nfs/dbraw/zinc/94/90/10/387949010.db2.gz BIAWDWMFGWHVDI-FKGLVLAHSA-N 1 0 233.355 3.477 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1cccc(O)c1)[C@H]1C[C@@H]1C ZINC000321973759 387949541 /nfs/dbraw/zinc/94/95/41/387949541.db2.gz BIAWDWMFGWHVDI-JLUCKKNBSA-N 1 0 233.355 3.477 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)[C@@H]1C[C@@H]1C ZINC000322029902 387959748 /nfs/dbraw/zinc/95/97/48/387959748.db2.gz LXEZBKDGRLFOIP-GMNPVEAJSA-N 1 0 222.332 3.068 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)[C@@H]1C[C@H]1C ZINC000322029904 387960664 /nfs/dbraw/zinc/96/06/64/387960664.db2.gz LXEZBKDGRLFOIP-HKWIRBFKSA-N 1 0 222.332 3.068 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)[C@H]1C[C@@H]1C ZINC000322029906 387960252 /nfs/dbraw/zinc/96/02/52/387960252.db2.gz LXEZBKDGRLFOIP-IELRGYKMSA-N 1 0 222.332 3.068 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)[C@H]1C[C@H]1C ZINC000322029908 387960453 /nfs/dbraw/zinc/96/04/53/387960453.db2.gz LXEZBKDGRLFOIP-YJQGPUDQSA-N 1 0 222.332 3.068 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@@H]1C[C@H]1C ZINC000322075554 387884172 /nfs/dbraw/zinc/88/41/72/387884172.db2.gz TVFSGGACCCHSFZ-CHWFTXMASA-N 1 0 209.358 3.443 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@H]1C[C@@H]1C ZINC000322075565 387883954 /nfs/dbraw/zinc/88/39/54/387883954.db2.gz TVFSGGACCCHSFZ-VLEAKVRGSA-N 1 0 209.358 3.443 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@H]1C[C@H]1C ZINC000322075571 387883481 /nfs/dbraw/zinc/88/34/81/387883481.db2.gz TVFSGGACCCHSFZ-ZNSHCXBVSA-N 1 0 209.358 3.443 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@@H]1C[C@@H]1C ZINC000322075574 387883983 /nfs/dbraw/zinc/88/39/83/387883983.db2.gz TVFSGGACCCHSFZ-ZRUFSTJUSA-N 1 0 209.358 3.443 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@@H]2C)o1 ZINC000322224297 386177576 /nfs/dbraw/zinc/17/75/76/386177576.db2.gz XZMTZZUMEPFKMO-IELRGYKMSA-N 1 0 207.317 3.283 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C)o1 ZINC000322224298 262746356 /nfs/dbraw/zinc/74/63/56/262746356.db2.gz XZMTZZUMEPFKMO-KXGXSXBTSA-N 1 0 207.317 3.283 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@H]2C)o1 ZINC000322224299 386176158 /nfs/dbraw/zinc/17/61/58/386176158.db2.gz XZMTZZUMEPFKMO-YJQGPUDQSA-N 1 0 207.317 3.283 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@@H]2C)o1 ZINC000322224301 386176703 /nfs/dbraw/zinc/17/67/03/386176703.db2.gz XZMTZZUMEPFKMO-ZDDJMSTPSA-N 1 0 207.317 3.283 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1ncc(C)o1)C1CCC1 ZINC000322310412 388431470 /nfs/dbraw/zinc/43/14/70/388431470.db2.gz YFFHKNKZVZRRMV-CMPLNLGQSA-N 1 0 222.332 3.212 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1ncc(C)o1)C1CCC1 ZINC000322310414 388431612 /nfs/dbraw/zinc/43/16/12/388431612.db2.gz YFFHKNKZVZRRMV-JQWIXIFHSA-N 1 0 222.332 3.212 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)C1CCC1 ZINC000322310416 388431231 /nfs/dbraw/zinc/43/12/31/388431231.db2.gz YFFHKNKZVZRRMV-PWSUYJOCSA-N 1 0 222.332 3.212 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1ncc(C)o1)C1CCC1 ZINC000322310417 388431065 /nfs/dbraw/zinc/43/10/65/388431065.db2.gz YFFHKNKZVZRRMV-ZYHUDNBSSA-N 1 0 222.332 3.212 10 0 BGAERO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)[C@H]1C[C@H]1C ZINC000322328186 388431174 /nfs/dbraw/zinc/43/11/74/388431174.db2.gz LUKXWSMARLQDPF-JYILRKAJSA-N 1 0 207.361 3.199 10 0 BGAERO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)[C@H]1C[C@H]1C ZINC000322328187 388431206 /nfs/dbraw/zinc/43/12/06/388431206.db2.gz LUKXWSMARLQDPF-OAACRXHESA-N 1 0 207.361 3.199 10 0 BGAERO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1C[C@H]1C ZINC000322328188 388431126 /nfs/dbraw/zinc/43/11/26/388431126.db2.gz LUKXWSMARLQDPF-XXSPCDMZSA-N 1 0 207.361 3.199 10 0 BGAERO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)[C@H]1C[C@H]1C ZINC000322328189 388431128 /nfs/dbraw/zinc/43/11/28/388431128.db2.gz LUKXWSMARLQDPF-XYHOJCAOSA-N 1 0 207.361 3.199 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@@H]2C)s1 ZINC000322349587 388432805 /nfs/dbraw/zinc/43/28/05/388432805.db2.gz TZVYLZOVPPAART-CDEVMZEPSA-N 1 0 224.373 3.147 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)[C@@H]2C[C@H]2C)s1 ZINC000322349589 388432196 /nfs/dbraw/zinc/43/21/96/388432196.db2.gz TZVYLZOVPPAART-CZULRBLNSA-N 1 0 224.373 3.147 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@H]2C)s1 ZINC000322349590 388432029 /nfs/dbraw/zinc/43/20/29/388432029.db2.gz TZVYLZOVPPAART-SNXWAXQRSA-N 1 0 224.373 3.147 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)[C@H]2C[C@@H]2C)s1 ZINC000322349591 259426097 /nfs/dbraw/zinc/42/60/97/259426097.db2.gz TZVYLZOVPPAART-VFRUTBLMSA-N 1 0 224.373 3.147 10 0 BGAERO C[C@@H](Nc1ccc(C[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000322350104 388432177 /nfs/dbraw/zinc/43/21/77/388432177.db2.gz UCEFTEDEKKIHMZ-JMSVASOKSA-N 1 0 232.371 3.205 10 0 BGAERO C[C@@H](Nc1ccc(C[NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000322350105 388432315 /nfs/dbraw/zinc/43/23/15/388432315.db2.gz UCEFTEDEKKIHMZ-LALPHHSUSA-N 1 0 232.371 3.205 10 0 BGAERO C[C@H](Nc1ccc(C[NH+](C)C)cc1)[C@@H]1C[C@H]1C ZINC000322350106 388432694 /nfs/dbraw/zinc/43/26/94/388432694.db2.gz UCEFTEDEKKIHMZ-TYNCELHUSA-N 1 0 232.371 3.205 10 0 BGAERO C[C@H](Nc1ccc(C[NH+](C)C)cc1)[C@H]1C[C@H]1C ZINC000322350107 388432467 /nfs/dbraw/zinc/43/24/67/388432467.db2.gz UCEFTEDEKKIHMZ-XUJVJEKNSA-N 1 0 232.371 3.205 10 0 BGAERO C[C@@H](Nc1cccc(C[NH+](C)C)c1)[C@H]1C[C@H]1C ZINC000322364958 388432639 /nfs/dbraw/zinc/43/26/39/388432639.db2.gz XOADDRKVNTTXJX-JMSVASOKSA-N 1 0 232.371 3.205 10 0 BGAERO C[C@@H](Nc1cccc(C[NH+](C)C)c1)[C@@H]1C[C@H]1C ZINC000322364959 388432545 /nfs/dbraw/zinc/43/25/45/388432545.db2.gz XOADDRKVNTTXJX-LALPHHSUSA-N 1 0 232.371 3.205 10 0 BGAERO C[C@H](Nc1cccc(C[NH+](C)C)c1)[C@@H]1C[C@H]1C ZINC000322364960 388432339 /nfs/dbraw/zinc/43/23/39/388432339.db2.gz XOADDRKVNTTXJX-TYNCELHUSA-N 1 0 232.371 3.205 10 0 BGAERO C[C@H](Nc1cccc(C[NH+](C)C)c1)[C@H]1C[C@H]1C ZINC000322364961 259705904 /nfs/dbraw/zinc/70/59/04/259705904.db2.gz XOADDRKVNTTXJX-XUJVJEKNSA-N 1 0 232.371 3.205 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCCN(CC)C1)C1CCC1 ZINC000322573183 388439341 /nfs/dbraw/zinc/43/93/41/388439341.db2.gz SWIOWAGEXRATLS-CABCVRRESA-N 1 0 238.419 3.029 10 0 BGAERO CCC[C@H]([NH2+][C@H]1CCCN(CC)C1)C1CCC1 ZINC000322573185 388438914 /nfs/dbraw/zinc/43/89/14/388438914.db2.gz SWIOWAGEXRATLS-GJZGRUSLSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)C1CCC1 ZINC000322573187 388439289 /nfs/dbraw/zinc/43/92/89/388439289.db2.gz SWIOWAGEXRATLS-HUUCEWRRSA-N 1 0 238.419 3.029 10 0 BGAERO CCC[C@@H]([NH2+][C@H]1CCCN(CC)C1)C1CCC1 ZINC000322573189 388439195 /nfs/dbraw/zinc/43/91/95/388439195.db2.gz SWIOWAGEXRATLS-LSDHHAIUSA-N 1 0 238.419 3.029 10 0 BGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCC[C@H]1O ZINC000323392271 323080974 /nfs/dbraw/zinc/08/09/74/323080974.db2.gz JBFNZSUIMVCSFZ-XJFOESAGSA-N 1 0 239.403 3.094 10 0 BGAERO C[C@H]([NH2+]CC/C=C\c1ccccc1)[C@@H]1CCCO1 ZINC000323594670 323107677 /nfs/dbraw/zinc/10/76/77/323107677.db2.gz OPVSIUZZMQFPPL-HWGGCHOISA-N 1 0 245.366 3.247 10 0 BGAERO C[C@H]([NH2+]CC/C=C/c1ccccc1)[C@H]1CCCO1 ZINC000323594672 323107670 /nfs/dbraw/zinc/10/76/70/323107670.db2.gz OPVSIUZZMQFPPL-IDSFCPPLSA-N 1 0 245.366 3.247 10 0 BGAERO C[C@H]([NH2+]CC/C=C\c1ccccc1)[C@H]1CCCO1 ZINC000323594673 323107698 /nfs/dbraw/zinc/10/76/98/323107698.db2.gz OPVSIUZZMQFPPL-RXJVVDDZSA-N 1 0 245.366 3.247 10 0 BGAERO C[C@H]([NH2+]CC/C=C/c1ccccc1)[C@@H]1CCCO1 ZINC000323594675 323107736 /nfs/dbraw/zinc/10/77/36/323107736.db2.gz OPVSIUZZMQFPPL-YPTGLDPFSA-N 1 0 245.366 3.247 10 0 BGAERO CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(C)c1 ZINC000324254608 356178688 /nfs/dbraw/zinc/17/86/88/356178688.db2.gz FIWXTZGFGKJLRA-CABCVRRESA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1cccc(C)c1 ZINC000324254611 171527664 /nfs/dbraw/zinc/52/76/64/171527664.db2.gz FIWXTZGFGKJLRA-GJZGRUSLSA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(C)c1 ZINC000324254613 386833223 /nfs/dbraw/zinc/83/32/23/386833223.db2.gz FIWXTZGFGKJLRA-HUUCEWRRSA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1cccc(C)c1 ZINC000324254615 187230370 /nfs/dbraw/zinc/23/03/70/187230370.db2.gz FIWXTZGFGKJLRA-LSDHHAIUSA-N 1 0 249.398 3.443 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000324254675 388115933 /nfs/dbraw/zinc/11/59/33/388115933.db2.gz FLIQICZGZIFYOR-CHWSQXEVSA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+][C@@H]1CCCC12CCCC2 ZINC000324254676 388115338 /nfs/dbraw/zinc/11/53/38/388115338.db2.gz FLIQICZGZIFYOR-OLZOCXBDSA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+][C@H]1CCCC12CCCC2 ZINC000324254677 388115519 /nfs/dbraw/zinc/11/55/19/388115519.db2.gz FLIQICZGZIFYOR-QWHCGFSZSA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+][C@H]1CCCC12CCCC2 ZINC000324254678 388115410 /nfs/dbraw/zinc/11/54/10/388115410.db2.gz FLIQICZGZIFYOR-STQMWFEESA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)(C)[C@H](O)CNc1nccc2ccccc21 ZINC000324361026 566465506 /nfs/dbraw/zinc/46/55/06/566465506.db2.gz QWYRXHKEQNVRNW-CYBMUJFWSA-N 1 0 244.338 3.054 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324443595 356360889 /nfs/dbraw/zinc/36/08/89/356360889.db2.gz TYKUCBIKQQZGFV-HZSPNIEDSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324443596 356361345 /nfs/dbraw/zinc/36/13/45/356361345.db2.gz TYKUCBIKQQZGFV-MCIONIFRSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1 ZINC000324443597 356360982 /nfs/dbraw/zinc/36/09/82/356360982.db2.gz TYKUCBIKQQZGFV-MGPQQGTHSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1 ZINC000324443598 356360861 /nfs/dbraw/zinc/36/08/61/356360861.db2.gz TYKUCBIKQQZGFV-RDBSUJKOSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)CC[C@H]([NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000324445202 537797514 /nfs/dbraw/zinc/79/75/14/537797514.db2.gz UHWSIQWYDRQIKK-KBPBESRZSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)CC[C@@H]([NH2+]C[C@H](O)C(C)(C)C)C1CC1 ZINC000324445203 635490506 /nfs/dbraw/zinc/49/05/06/635490506.db2.gz UHWSIQWYDRQIKK-KGLIPLIRSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)CC[C@H]([NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000324445204 635490791 /nfs/dbraw/zinc/49/07/91/635490791.db2.gz UHWSIQWYDRQIKK-UONOGXRCSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)CC[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)C1CC1 ZINC000324445205 635488503 /nfs/dbraw/zinc/48/85/03/635488503.db2.gz UHWSIQWYDRQIKK-ZIAGYGMSSA-N 1 0 241.419 3.198 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000324469522 323235855 /nfs/dbraw/zinc/23/58/55/323235855.db2.gz ANISLFHKZYOIDG-HNNXBMFYSA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC000324469523 323235936 /nfs/dbraw/zinc/23/59/36/323235936.db2.gz ANISLFHKZYOIDG-OAHLLOKOSA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)[C@@H]([NH2+][C@H](C)c1cncs1)C1CC1 ZINC000324495417 491105304 /nfs/dbraw/zinc/10/53/04/491105304.db2.gz FKRMVBMKBVWNHE-BXKDBHETSA-N 1 0 224.373 3.228 10 0 BGAERO CC(C)[C@H]([NH2+][C@@H](C)c1cncs1)C1CC1 ZINC000324495418 491105363 /nfs/dbraw/zinc/10/53/63/491105363.db2.gz FKRMVBMKBVWNHE-CABZTGNLSA-N 1 0 224.373 3.228 10 0 BGAERO CC(C)[C@@H]([NH2+][C@@H](C)c1cncs1)C1CC1 ZINC000324495419 491105313 /nfs/dbraw/zinc/10/53/13/491105313.db2.gz FKRMVBMKBVWNHE-JOYOIKCWSA-N 1 0 224.373 3.228 10 0 BGAERO CC(C)[C@H]([NH2+][C@H](C)c1cncs1)C1CC1 ZINC000324495420 491105379 /nfs/dbraw/zinc/10/53/79/491105379.db2.gz FKRMVBMKBVWNHE-SKDRFNHKSA-N 1 0 224.373 3.228 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000324622700 387474942 /nfs/dbraw/zinc/47/49/42/387474942.db2.gz QAUXKFAEKATKIC-HNNXBMFYSA-N 1 0 247.382 3.061 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+]Cc1cccc(C2CC2)c1 ZINC000324622701 262793127 /nfs/dbraw/zinc/79/31/27/262793127.db2.gz QAUXKFAEKATKIC-OAHLLOKOSA-N 1 0 247.382 3.061 10 0 BGAERO C[C@@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cncs1 ZINC000324711480 323266207 /nfs/dbraw/zinc/26/62/07/323266207.db2.gz CEIZVADTLZLESV-NOZJJQNGSA-N 1 0 236.384 3.372 10 0 BGAERO C[C@@H]([NH2+][C@H](C1CC1)C1CCC1)c1cncs1 ZINC000324711482 323265764 /nfs/dbraw/zinc/26/57/64/323265764.db2.gz CEIZVADTLZLESV-RNCFNFMXSA-N 1 0 236.384 3.372 10 0 BGAERO C[C@H]([NH2+][C@@H](C1CC1)C1CCC1)c1cncs1 ZINC000324711485 323266127 /nfs/dbraw/zinc/26/61/27/323266127.db2.gz CEIZVADTLZLESV-TVQRCGJNSA-N 1 0 236.384 3.372 10 0 BGAERO C[C@H]([NH2+][C@H](C1CC1)C1CCC1)c1cncs1 ZINC000324711488 323265597 /nfs/dbraw/zinc/26/55/97/323265597.db2.gz CEIZVADTLZLESV-ZANVPECISA-N 1 0 236.384 3.372 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000328017379 388399085 /nfs/dbraw/zinc/39/90/85/388399085.db2.gz KPGSALIPZVETOE-GRYCIOLGSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000328017381 388398791 /nfs/dbraw/zinc/39/87/91/388398791.db2.gz KPGSALIPZVETOE-IJLUTSLNSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000328017383 388399159 /nfs/dbraw/zinc/39/91/59/388399159.db2.gz KPGSALIPZVETOE-UTUOFQBUSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000328017385 388399480 /nfs/dbraw/zinc/39/94/80/388399480.db2.gz KPGSALIPZVETOE-WOPDTQHZSA-N 1 0 213.390 3.050 10 0 BGAERO c1ccc(C[NH2+][C@H]2CCCC23CCCC3)nc1 ZINC000328127543 711689868 /nfs/dbraw/zinc/68/98/68/711689868.db2.gz UXHWLFPRQAUVAK-AWEZNQCLSA-N 1 0 230.355 3.284 10 0 BGAERO c1ccc(C[NH2+][C@@H]2CCCC23CCCC3)nc1 ZINC000328127544 711689937 /nfs/dbraw/zinc/68/99/37/711689937.db2.gz UXHWLFPRQAUVAK-CQSZACIVSA-N 1 0 230.355 3.284 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+][C@H]1CCCC12CCCC2 ZINC000328186574 388405941 /nfs/dbraw/zinc/40/59/41/388405941.db2.gz OUUUGRSQTZQBTB-KBPBESRZSA-N 1 0 237.387 3.258 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+][C@@H]1CCCC12CCCC2 ZINC000328186576 388405945 /nfs/dbraw/zinc/40/59/45/388405945.db2.gz OUUUGRSQTZQBTB-UONOGXRCSA-N 1 0 237.387 3.258 10 0 BGAERO CCCCCC[C@H](O)C[NH+]1CCCCCC1 ZINC000328209810 633742304 /nfs/dbraw/zinc/74/23/04/633742304.db2.gz WAFFTKDSWGXUIF-AWEZNQCLSA-N 1 0 227.392 3.194 10 0 BGAERO CCCCCC[C@@H](O)C[NH+]1CCCCCC1 ZINC000328209813 633741561 /nfs/dbraw/zinc/74/15/61/633741561.db2.gz WAFFTKDSWGXUIF-CQSZACIVSA-N 1 0 227.392 3.194 10 0 BGAERO Cl/C=C/C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000328321981 633756363 /nfs/dbraw/zinc/75/63/63/633756363.db2.gz FFYKZWGUVYXGBX-OWOJBTEDSA-N 1 0 225.763 3.153 10 0 BGAERO Cl/C=C\C[NH2+]C1C2CC3CC(C2)CC1C3 ZINC000328321982 633756091 /nfs/dbraw/zinc/75/60/91/633756091.db2.gz FFYKZWGUVYXGBX-UPHRSURJSA-N 1 0 225.763 3.153 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000328372458 388642171 /nfs/dbraw/zinc/64/21/71/388642171.db2.gz WQIZAJUSAJKZPA-GXSJLCMTSA-N 1 0 239.746 3.324 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000328372459 323221559 /nfs/dbraw/zinc/22/15/59/323221559.db2.gz WQIZAJUSAJKZPA-KOLCDFICSA-N 1 0 239.746 3.324 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000328372460 323221614 /nfs/dbraw/zinc/22/16/14/323221614.db2.gz WQIZAJUSAJKZPA-MWLCHTKSSA-N 1 0 239.746 3.324 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cccc(O)c1Cl ZINC000328372461 323221671 /nfs/dbraw/zinc/22/16/71/323221671.db2.gz WQIZAJUSAJKZPA-ONGXEEELSA-N 1 0 239.746 3.324 10 0 BGAERO CCN1CC[C@@H]([NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000328387269 170014463 /nfs/dbraw/zinc/01/44/63/170014463.db2.gz WXMXBMHMFGCHNT-CVEARBPZSA-N 1 0 246.398 3.068 10 0 BGAERO CCN1CC[C@H]([NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000328387271 170021926 /nfs/dbraw/zinc/02/19/26/170021926.db2.gz WXMXBMHMFGCHNT-HOTGVXAUSA-N 1 0 246.398 3.068 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCN(CC)C1)C1CCCCC1 ZINC000328400392 388642986 /nfs/dbraw/zinc/64/29/86/388642986.db2.gz ZTAMNUNYOGDBTI-HUUCEWRRSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCN(CC)C1)C1CCCCC1 ZINC000328400393 388642753 /nfs/dbraw/zinc/64/27/53/388642753.db2.gz ZTAMNUNYOGDBTI-LSDHHAIUSA-N 1 0 238.419 3.029 10 0 BGAERO CCN1CC[C@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000328401239 170021829 /nfs/dbraw/zinc/02/18/29/170021829.db2.gz ZXYOSJVGXHWIJB-CABCVRRESA-N 1 0 246.398 3.048 10 0 BGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000328401241 170014825 /nfs/dbraw/zinc/01/48/25/170014825.db2.gz ZXYOSJVGXHWIJB-HUUCEWRRSA-N 1 0 246.398 3.048 10 0 BGAERO Cc1cc([C@H]2CCC[N@@H+]2C2CCCC2)on1 ZINC000334205958 133585703 /nfs/dbraw/zinc/58/57/03/133585703.db2.gz VOOYULZCWGQTIZ-GFCCVEGCSA-N 1 0 220.316 3.063 10 0 BGAERO CCOC1(C)CC[NH+]([C@H]2CC[C@H](C)C2)CC1 ZINC000334206734 133585975 /nfs/dbraw/zinc/58/59/75/133585975.db2.gz JHPOBSPASFKWIR-STQMWFEESA-N 1 0 225.376 3.066 10 0 BGAERO Cc1cc(C2CC[NH+]([C@@H]3CC[C@@H](C)C3)CC2)[nH]n1 ZINC000334420163 135399254 /nfs/dbraw/zinc/39/92/54/135399254.db2.gz QITLFPVNVOKMLE-BXUZGUMPSA-N 1 0 247.386 3.086 10 0 BGAERO Cc1cc(C2CC[NH+]([C@H]3CC[C@H](C)C3)CC2)[nH]n1 ZINC000334420168 135399192 /nfs/dbraw/zinc/39/91/92/135399192.db2.gz QITLFPVNVOKMLE-FZMZJTMJSA-N 1 0 247.386 3.086 10 0 BGAERO Cc1cc(C2CC[NH+]([C@H]3CC[C@@H](C)C3)CC2)[nH]n1 ZINC000334420172 135399609 /nfs/dbraw/zinc/39/96/09/135399609.db2.gz QITLFPVNVOKMLE-RISCZKNCSA-N 1 0 247.386 3.086 10 0 BGAERO Cc1cc(C2CC[NH+]([C@@H]3CC[C@H](C)C3)CC2)[nH]n1 ZINC000334420178 135399124 /nfs/dbraw/zinc/39/91/24/135399124.db2.gz QITLFPVNVOKMLE-SMDDNHRTSA-N 1 0 247.386 3.086 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H]2CCCC23CCC3)o1 ZINC000334756153 384474789 /nfs/dbraw/zinc/47/47/89/384474789.db2.gz HGZNMBZEWQKRQI-NEPJUHHUSA-N 1 0 234.343 3.356 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CCCC23CCC3)o1 ZINC000334756170 384475551 /nfs/dbraw/zinc/47/55/51/384475551.db2.gz HGZNMBZEWQKRQI-NWDGAFQWSA-N 1 0 234.343 3.356 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CCCC23CCC3)o1 ZINC000334756174 384474167 /nfs/dbraw/zinc/47/41/67/384474167.db2.gz HGZNMBZEWQKRQI-RYUDHWBXSA-N 1 0 234.343 3.356 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCC23CCC3)o1 ZINC000334756177 135403226 /nfs/dbraw/zinc/40/32/26/135403226.db2.gz HGZNMBZEWQKRQI-VXGBXAGGSA-N 1 0 234.343 3.356 10 0 BGAERO CC(F)(F)CC[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000334785304 535198772 /nfs/dbraw/zinc/19/87/72/535198772.db2.gz DCQNJQBGGQWXJT-QWRGUYRKSA-N 1 0 217.303 3.154 10 0 BGAERO C[C@H]1CC[N@H+](C[C@@H]2CCCC2(F)F)CCS1 ZINC000334821006 135833094 /nfs/dbraw/zinc/83/30/94/135833094.db2.gz KMLNTPFREKQRRQ-QWRGUYRKSA-N 1 0 249.370 3.249 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C2CCC3(CC3)CC2)o1 ZINC000334929990 387006229 /nfs/dbraw/zinc/00/62/29/387006229.db2.gz UFDKNXSYDCWNNC-LLVKDONJSA-N 1 0 234.343 3.356 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C2CCC3(CC3)CC2)o1 ZINC000334929991 135844162 /nfs/dbraw/zinc/84/41/62/135844162.db2.gz UFDKNXSYDCWNNC-NSHDSACASA-N 1 0 234.343 3.356 10 0 BGAERO CCC1(C[N@@H+]2CCCC3(CC3)C2)CCOCC1 ZINC000335001763 135862651 /nfs/dbraw/zinc/86/26/51/135862651.db2.gz QEABTKTUVHOMIG-UHFFFAOYSA-N 1 0 237.387 3.069 10 0 BGAERO C[C@H]1CCC[N@H+](CCC(C)(F)F)[C@H]1C ZINC000335162254 177097072 /nfs/dbraw/zinc/09/70/72/177097072.db2.gz PQNHDAOEZFRDLY-UWVGGRQHSA-N 1 0 205.292 3.152 10 0 BGAERO C[C@@H]1CC(C)(C)C[N@@H+]1CCC(C)(F)F ZINC000335188224 352409833 /nfs/dbraw/zinc/40/98/33/352409833.db2.gz FYFIJSYOSPQARB-SECBINFHSA-N 1 0 205.292 3.152 10 0 BGAERO C[C@H]1CC(C)(C)C[N@@H+]1CCC(C)(F)F ZINC000335188225 352409877 /nfs/dbraw/zinc/40/98/77/352409877.db2.gz FYFIJSYOSPQARB-VIFPVBQESA-N 1 0 205.292 3.152 10 0 BGAERO c1[nH]nc2c1[C@@H]([NH2+][C@@H]1CCC13CCCC3)CCC2 ZINC000335315354 136024587 /nfs/dbraw/zinc/02/45/87/136024587.db2.gz REBDEXFHURFKIB-GXTWGEPZSA-N 1 0 245.370 3.100 10 0 BGAERO c1[nH]nc2c1[C@@H]([NH2+][C@H]1CCC13CCCC3)CCC2 ZINC000335315355 136024961 /nfs/dbraw/zinc/02/49/61/136024961.db2.gz REBDEXFHURFKIB-JSGCOSHPSA-N 1 0 245.370 3.100 10 0 BGAERO c1[nH]nc2c1[C@H]([NH2+][C@H]1CCC13CCCC3)CCC2 ZINC000335315356 136024776 /nfs/dbraw/zinc/02/47/76/136024776.db2.gz REBDEXFHURFKIB-OCCSQVGLSA-N 1 0 245.370 3.100 10 0 BGAERO c1[nH]nc2c1[C@H]([NH2+][C@@H]1CCC13CCCC3)CCC2 ZINC000335315357 136024895 /nfs/dbraw/zinc/02/48/95/136024895.db2.gz REBDEXFHURFKIB-TZMCWYRMSA-N 1 0 245.370 3.100 10 0 BGAERO CCC1(CC)CC[N@@H+]([C@@H]2CCO[C@@H](C)C2)C1 ZINC000335386109 136088746 /nfs/dbraw/zinc/08/87/46/136088746.db2.gz KPXQFUYNMGSTAS-QWHCGFSZSA-N 1 0 225.376 3.066 10 0 BGAERO CCC1(CC)CC[N@@H+]([C@H]2CCO[C@@H](C)C2)C1 ZINC000335386110 136088842 /nfs/dbraw/zinc/08/88/42/136088842.db2.gz KPXQFUYNMGSTAS-STQMWFEESA-N 1 0 225.376 3.066 10 0 BGAERO CC(F)(F)CC[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000335387478 535198520 /nfs/dbraw/zinc/19/85/20/535198520.db2.gz DOQZXUUWFOJICH-QWRGUYRKSA-N 1 0 217.303 3.296 10 0 BGAERO C[C@@H]1C[C@@H]([NH+]2CCC(C)(C3CC3)CC2)CCO1 ZINC000335403555 386245175 /nfs/dbraw/zinc/24/51/75/386245175.db2.gz ISINRUCJQYZXEY-OCCSQVGLSA-N 1 0 237.387 3.066 10 0 BGAERO C[C@@H]1CCC[C@H](C)[N@H+]1CCC(C)(F)F ZINC000335582364 136113000 /nfs/dbraw/zinc/11/30/00/136113000.db2.gz XHOLMGITDFDGDE-AOOOYVTPSA-N 1 0 205.292 3.295 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@@H]2C=CCCC2)cs1 ZINC000335603223 180050925 /nfs/dbraw/zinc/05/09/25/180050925.db2.gz XCYVKORIQRAHEZ-GXSJLCMTSA-N 1 0 222.357 3.211 10 0 BGAERO Cc1nc([C@@H](C)[NH2+][C@H]2C=CCCC2)cs1 ZINC000335603224 180037643 /nfs/dbraw/zinc/03/76/43/180037643.db2.gz XCYVKORIQRAHEZ-KOLCDFICSA-N 1 0 222.357 3.211 10 0 BGAERO Cc1nc([C@@H](C)[NH2+][C@@H]2C=CCCC2)cs1 ZINC000335603225 180038077 /nfs/dbraw/zinc/03/80/77/180038077.db2.gz XCYVKORIQRAHEZ-MWLCHTKSSA-N 1 0 222.357 3.211 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@H]2C=CCCC2)cs1 ZINC000335603226 180051831 /nfs/dbraw/zinc/05/18/31/180051831.db2.gz XCYVKORIQRAHEZ-ONGXEEELSA-N 1 0 222.357 3.211 10 0 BGAERO c1cc(NC2CC[NH2+]CC2)cc(C2CCC2)c1 ZINC000335607463 136238805 /nfs/dbraw/zinc/23/88/05/136238805.db2.gz FLQBRICJCXWFKX-UHFFFAOYSA-N 1 0 230.355 3.118 10 0 BGAERO C[C@@H]1CCC[C@@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000335608199 176119077 /nfs/dbraw/zinc/11/90/77/176119077.db2.gz ABNQFLFUURTDHT-NXEZZACHSA-N 1 0 217.303 3.200 10 0 BGAERO C[C@H]1CCC[C@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000335608200 177133611 /nfs/dbraw/zinc/13/36/11/177133611.db2.gz ABNQFLFUURTDHT-UWVGGRQHSA-N 1 0 217.303 3.200 10 0 BGAERO C[C@H]1CCC[C@@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000335608201 177118933 /nfs/dbraw/zinc/11/89/33/177118933.db2.gz ABNQFLFUURTDHT-VHSXEESVSA-N 1 0 217.303 3.200 10 0 BGAERO C[C@@H]1CCC[C@H](C[NH2+]C2CC(F)(F)C2)C1 ZINC000335608202 176138306 /nfs/dbraw/zinc/13/83/06/176138306.db2.gz ABNQFLFUURTDHT-ZJUUUORDSA-N 1 0 217.303 3.200 10 0 BGAERO CCC1(C[N@@H+]2CCC3(CCC3)C2)CCOCC1 ZINC000335646883 136243874 /nfs/dbraw/zinc/24/38/74/136243874.db2.gz ZPPHIFVOMQOBOZ-UHFFFAOYSA-N 1 0 237.387 3.069 10 0 BGAERO Cc1cc[nH+]c(NC[C@@H]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000335805748 355476574 /nfs/dbraw/zinc/47/65/74/355476574.db2.gz SPWAZVCSIZHXOU-CLLJXQQHSA-N 1 0 234.343 3.006 10 0 BGAERO Cc1cc[nH+]c(NCC2C[C@H](C)O[C@@H](C)C2)c1 ZINC000335805749 355476356 /nfs/dbraw/zinc/47/63/56/355476356.db2.gz SPWAZVCSIZHXOU-RYUDHWBXSA-N 1 0 234.343 3.006 10 0 BGAERO Cc1cc[nH+]c(NCC2C[C@@H](C)O[C@H](C)C2)c1 ZINC000335805750 355476714 /nfs/dbraw/zinc/47/67/14/355476714.db2.gz SPWAZVCSIZHXOU-VXGBXAGGSA-N 1 0 234.343 3.006 10 0 BGAERO CCC1(C[N@@H+]2CC[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000335891858 136358770 /nfs/dbraw/zinc/35/87/70/136358770.db2.gz BWPSBFLZWUZYIR-KBPBESRZSA-N 1 0 237.387 3.068 10 0 BGAERO CCC1(C[N@@H+]2CC[C@H]3CCC[C@@H]32)CCOCC1 ZINC000335891860 136359008 /nfs/dbraw/zinc/35/90/08/136359008.db2.gz BWPSBFLZWUZYIR-KGLIPLIRSA-N 1 0 237.387 3.068 10 0 BGAERO CCC1(C[N@@H+]2CC[C@@H]3CCC[C@H]32)CCOCC1 ZINC000335891862 136358686 /nfs/dbraw/zinc/35/86/86/136358686.db2.gz BWPSBFLZWUZYIR-UONOGXRCSA-N 1 0 237.387 3.068 10 0 BGAERO CCC1(C[N@@H+]2CC[C@H]3CCC[C@H]32)CCOCC1 ZINC000335891864 136358612 /nfs/dbraw/zinc/35/86/12/136358612.db2.gz BWPSBFLZWUZYIR-ZIAGYGMSSA-N 1 0 237.387 3.068 10 0 BGAERO CCOC1CC2(C1)CC[N@@H+]([C@H]1CC[C@@H](C)C1)C2 ZINC000335902272 535399676 /nfs/dbraw/zinc/39/96/76/535399676.db2.gz MOGXRBWBAONDOH-DNDYEEKYSA-N 1 0 237.387 3.066 10 0 BGAERO CCOC1CC2(C1)CC[N@@H+]([C@H]1CC[C@H](C)C1)C2 ZINC000335902273 535399005 /nfs/dbraw/zinc/39/90/05/535399005.db2.gz MOGXRBWBAONDOH-HESLUPGFSA-N 1 0 237.387 3.066 10 0 BGAERO CCOC1CC2(C1)CC[N@@H+]([C@@H]1CC[C@@H](C)C1)C2 ZINC000335902274 170332277 /nfs/dbraw/zinc/33/22/77/170332277.db2.gz MOGXRBWBAONDOH-LMRVLLHPSA-N 1 0 237.387 3.066 10 0 BGAERO CCOC1CC2(C1)CC[N@@H+]([C@@H]1CC[C@H](C)C1)C2 ZINC000335902275 535397088 /nfs/dbraw/zinc/39/70/88/535397088.db2.gz MOGXRBWBAONDOH-ZUJMUWTESA-N 1 0 237.387 3.066 10 0 BGAERO CC(C)(C)OC1CC([NH+]2C[C@@H]3CCC[C@H]3C2)C1 ZINC000335988191 534964659 /nfs/dbraw/zinc/96/46/59/534964659.db2.gz UWZDJFIOEAJZLK-FEPKRQSRSA-N 1 0 237.387 3.064 10 0 BGAERO CC(C)(C)OC1CC([NH+]2C[C@H]3CCC[C@@H]3C2)C1 ZINC000335988192 534964596 /nfs/dbraw/zinc/96/45/96/534964596.db2.gz UWZDJFIOEAJZLK-IWMBGFJWSA-N 1 0 237.387 3.064 10 0 BGAERO CC[N@H+](C1CCCC1)[C@@H]1CCOC(C)(C)C1 ZINC000336005749 134048746 /nfs/dbraw/zinc/04/87/46/134048746.db2.gz SQPQPKDFZBXOQP-CYBMUJFWSA-N 1 0 225.376 3.209 10 0 BGAERO CC[N@H+](C1CCCC1)[C@H]1CCOC(C)(C)C1 ZINC000336005750 134049029 /nfs/dbraw/zinc/04/90/29/134049029.db2.gz SQPQPKDFZBXOQP-ZDUSSCGKSA-N 1 0 225.376 3.209 10 0 BGAERO C[C@H]1CC[C@H]([N@@H+]2CCCC3(CCOCC3)C2)C1 ZINC000336028107 134057781 /nfs/dbraw/zinc/05/77/81/134057781.db2.gz RCRXMNRBKVJDBD-KBPBESRZSA-N 1 0 237.387 3.068 10 0 BGAERO C[C@@H]1CC[C@H]([N@@H+]2CCCC3(CCOCC3)C2)C1 ZINC000336028108 134057530 /nfs/dbraw/zinc/05/75/30/134057530.db2.gz RCRXMNRBKVJDBD-KGLIPLIRSA-N 1 0 237.387 3.068 10 0 BGAERO C[C@H]1CC[C@@H]([N@@H+]2CCCC3(CCOCC3)C2)C1 ZINC000336028109 134057652 /nfs/dbraw/zinc/05/76/52/134057652.db2.gz RCRXMNRBKVJDBD-UONOGXRCSA-N 1 0 237.387 3.068 10 0 BGAERO C[C@@H]1CC[C@@H]([N@@H+]2CCCC3(CCOCC3)C2)C1 ZINC000336028110 134057875 /nfs/dbraw/zinc/05/78/75/134057875.db2.gz RCRXMNRBKVJDBD-ZIAGYGMSSA-N 1 0 237.387 3.068 10 0 BGAERO C[C@H](C[N@@H+]1CCS[C@@H](C)CC1)C(F)(F)F ZINC000336105767 134085159 /nfs/dbraw/zinc/08/51/59/134085159.db2.gz XIKNGXBAZKSPPL-BDAKNGLRSA-N 1 0 241.322 3.012 10 0 BGAERO C[C@@H](C[N@@H+]1CCS[C@H](C)CC1)C(F)(F)F ZINC000336105768 134084879 /nfs/dbraw/zinc/08/48/79/134084879.db2.gz XIKNGXBAZKSPPL-DTWKUNHWSA-N 1 0 241.322 3.012 10 0 BGAERO C[C@@H](C[N@@H+]1CCS[C@@H](C)CC1)C(F)(F)F ZINC000336105769 134084830 /nfs/dbraw/zinc/08/48/30/134084830.db2.gz XIKNGXBAZKSPPL-IUCAKERBSA-N 1 0 241.322 3.012 10 0 BGAERO C[C@H](C[N@@H+]1CCS[C@H](C)CC1)C(F)(F)F ZINC000336105770 176172968 /nfs/dbraw/zinc/17/29/68/176172968.db2.gz XIKNGXBAZKSPPL-RKDXNWHRSA-N 1 0 241.322 3.012 10 0 BGAERO C[C@@H]1CCC[C@@H](C)[NH+]1CCC(C)(F)F ZINC000336189038 134122693 /nfs/dbraw/zinc/12/26/93/134122693.db2.gz XHOLMGITDFDGDE-NXEZZACHSA-N 1 0 205.292 3.295 10 0 BGAERO C[C@H]1CCC[C@H](C)[NH+]1CCC(C)(F)F ZINC000336189039 134122641 /nfs/dbraw/zinc/12/26/41/134122641.db2.gz XHOLMGITDFDGDE-UWVGGRQHSA-N 1 0 205.292 3.295 10 0 BGAERO C[C@@H]1C[C@H](C)C[N@@H+](CCC(C)(F)F)C1 ZINC000336189599 177313607 /nfs/dbraw/zinc/31/36/07/177313607.db2.gz HUPUBEUMHVIYCH-AOOOYVTPSA-N 1 0 205.292 3.010 10 0 BGAERO C[C@@H]1C[C@@H](C)C[NH+](CCC(C)(F)F)C1 ZINC000336189600 134122874 /nfs/dbraw/zinc/12/28/74/134122874.db2.gz HUPUBEUMHVIYCH-NXEZZACHSA-N 1 0 205.292 3.010 10 0 BGAERO C[C@H]1C[C@H](C)C[NH+](CCC(C)(F)F)C1 ZINC000336189605 134122929 /nfs/dbraw/zinc/12/29/29/134122929.db2.gz HUPUBEUMHVIYCH-UWVGGRQHSA-N 1 0 205.292 3.010 10 0 BGAERO CC1=CC[N@H+](C[C@H]2CCCC2(F)F)CC1 ZINC000336194024 134124721 /nfs/dbraw/zinc/12/47/21/134124721.db2.gz LQKRDGRMHZLAOT-LLVKDONJSA-N 1 0 215.287 3.074 10 0 BGAERO CC1=CC[N@H+](C[C@@H]2CCCC2(F)F)CC1 ZINC000336194025 134124773 /nfs/dbraw/zinc/12/47/73/134124773.db2.gz LQKRDGRMHZLAOT-NSHDSACASA-N 1 0 215.287 3.074 10 0 BGAERO C[C@@H]1CC[N@H+](CCC(C)(F)F)C[C@H]1C ZINC000336196825 134126884 /nfs/dbraw/zinc/12/68/84/134126884.db2.gz BCNQVRZFBPWRLO-NXEZZACHSA-N 1 0 205.292 3.010 10 0 BGAERO C[C@H]1C[N@@H+](CCC(C)(F)F)CC[C@@H]1C ZINC000336196826 134126570 /nfs/dbraw/zinc/12/65/70/134126570.db2.gz BCNQVRZFBPWRLO-UWVGGRQHSA-N 1 0 205.292 3.010 10 0 BGAERO C[C@H]1CC[N@H+](CCC(C)(F)F)C[C@H]1C ZINC000336196830 134126758 /nfs/dbraw/zinc/12/67/58/134126758.db2.gz BCNQVRZFBPWRLO-VHSXEESVSA-N 1 0 205.292 3.010 10 0 BGAERO C[C@@H]1CC[N@H+](CCC(C)(F)F)C[C@@H]1C ZINC000336196831 134126661 /nfs/dbraw/zinc/12/66/61/134126661.db2.gz BCNQVRZFBPWRLO-ZJUUUORDSA-N 1 0 205.292 3.010 10 0 BGAERO C[N@H+](C[C@@H]1CCCC1(F)F)C1CCCC1 ZINC000336200951 536421940 /nfs/dbraw/zinc/42/19/40/536421940.db2.gz LRMCDVBZUSETQR-JTQLQIEISA-N 1 0 217.303 3.296 10 0 BGAERO C[N@H+](C[C@H]1CCCC1(F)F)C1CCCC1 ZINC000336200953 536443826 /nfs/dbraw/zinc/44/38/26/536443826.db2.gz LRMCDVBZUSETQR-SNVBAGLBSA-N 1 0 217.303 3.296 10 0 BGAERO C[C@H]1CSCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336259274 177304090 /nfs/dbraw/zinc/30/40/90/177304090.db2.gz QUQPRRWJGAPVKG-GHMZBOCLSA-N 1 0 249.370 3.107 10 0 BGAERO C[C@H]1CSCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336259275 177303648 /nfs/dbraw/zinc/30/36/48/177303648.db2.gz QUQPRRWJGAPVKG-MNOVXSKESA-N 1 0 249.370 3.107 10 0 BGAERO C[C@@H]1CSCC[N@H+](C[C@@H]2CCCC2(F)F)C1 ZINC000336259276 176349875 /nfs/dbraw/zinc/34/98/75/176349875.db2.gz QUQPRRWJGAPVKG-QWRGUYRKSA-N 1 0 249.370 3.107 10 0 BGAERO C[C@@H]1CSCC[N@H+](C[C@H]2CCCC2(F)F)C1 ZINC000336259277 176350293 /nfs/dbraw/zinc/35/02/93/176350293.db2.gz QUQPRRWJGAPVKG-WDEREUQCSA-N 1 0 249.370 3.107 10 0 BGAERO FCC1CC[NH+](C[C@H]2CCCC2(F)F)CC1 ZINC000336261860 180920991 /nfs/dbraw/zinc/92/09/91/180920991.db2.gz RPAQFBSFPPQXGH-LLVKDONJSA-N 1 0 235.293 3.103 10 0 BGAERO C[C@H]1CC2(CCC2)C[N@@H+]1CCC(C)(F)F ZINC000336272932 177068245 /nfs/dbraw/zinc/06/82/45/177068245.db2.gz LAKYBHPQBYYTQM-JTQLQIEISA-N 1 0 217.303 3.296 10 0 BGAERO C[C@@H]1CC2(CCC2)C[N@@H+]1CCC(C)(F)F ZINC000336272933 176057725 /nfs/dbraw/zinc/05/77/25/176057725.db2.gz LAKYBHPQBYYTQM-SNVBAGLBSA-N 1 0 217.303 3.296 10 0 BGAERO CC(F)(F)CC[N@@H+]1CC[C@@]2(C)[C@@H](C1)C2(F)F ZINC000336275264 167814472 /nfs/dbraw/zinc/81/44/72/167814472.db2.gz JNRTXLJWJFRDFU-BDAKNGLRSA-N 1 0 239.256 3.009 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2COc3ccccc32)cs1 ZINC000336322447 178035399 /nfs/dbraw/zinc/03/53/99/178035399.db2.gz BLRKTZQUXDUAKX-CYBMUJFWSA-N 1 0 245.347 3.280 10 0 BGAERO Cc1cc(C[NH2+][C@H]2COc3ccccc32)cs1 ZINC000336322448 178041745 /nfs/dbraw/zinc/04/17/45/178041745.db2.gz BLRKTZQUXDUAKX-ZDUSSCGKSA-N 1 0 245.347 3.280 10 0 BGAERO CC(C)(CF)[NH2+]C1CCC2(CCOCC2)CC1 ZINC000336329270 187541032 /nfs/dbraw/zinc/54/10/32/187541032.db2.gz TWJMHWNURPXRGL-UHFFFAOYSA-N 1 0 243.366 3.064 10 0 BGAERO c1c(C[NH2+]C2CCCCCC2)nc2n1CCCC2 ZINC000336376810 183321846 /nfs/dbraw/zinc/32/18/46/183321846.db2.gz UGNMANWSTDKBPC-UHFFFAOYSA-N 1 0 247.386 3.032 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000336513808 635170164 /nfs/dbraw/zinc/17/01/64/635170164.db2.gz VTMPYOABAKLCCL-GXSJLCMTSA-N 1 0 247.367 3.199 10 0 BGAERO C[C@@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000336513809 635169605 /nfs/dbraw/zinc/16/96/05/635169605.db2.gz VTMPYOABAKLCCL-KOLCDFICSA-N 1 0 247.367 3.199 10 0 BGAERO C[C@@H]([NH2+][C@@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000336513810 635169736 /nfs/dbraw/zinc/16/97/36/635169736.db2.gz VTMPYOABAKLCCL-MWLCHTKSSA-N 1 0 247.367 3.199 10 0 BGAERO C[C@H]([NH2+][C@H]1CCCc2n[nH]cc21)c1cccs1 ZINC000336513811 635170111 /nfs/dbraw/zinc/17/01/11/635170111.db2.gz VTMPYOABAKLCCL-ONGXEEELSA-N 1 0 247.367 3.199 10 0 BGAERO c1ccc2c(c1)C[C@H]2C[NH+]1CCCCCC1 ZINC000336646128 386625905 /nfs/dbraw/zinc/62/59/05/386625905.db2.gz DRPIWXHTTLFHBC-AWEZNQCLSA-N 1 0 215.340 3.202 10 0 BGAERO c1ccc2c(c1)C[C@@H]2C[NH+]1CCCCCC1 ZINC000336646129 384548161 /nfs/dbraw/zinc/54/81/61/384548161.db2.gz DRPIWXHTTLFHBC-CQSZACIVSA-N 1 0 215.340 3.202 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@@H]2C(C)C)o1 ZINC000336646833 635201948 /nfs/dbraw/zinc/20/19/48/635201948.db2.gz BODRAFFCDLDACG-QJPTWQEYSA-N 1 0 222.332 3.068 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)o1 ZINC000336646834 635201868 /nfs/dbraw/zinc/20/18/68/635201868.db2.gz BODRAFFCDLDACG-SDDRHHMPSA-N 1 0 222.332 3.068 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H]2C(C)C)o1 ZINC000336646835 635200758 /nfs/dbraw/zinc/20/07/58/635200758.db2.gz BODRAFFCDLDACG-SRVKXCTJSA-N 1 0 222.332 3.068 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@@H]2C(C)C)o1 ZINC000336646836 635201361 /nfs/dbraw/zinc/20/13/61/635201361.db2.gz BODRAFFCDLDACG-TUAOUCFPSA-N 1 0 222.332 3.068 10 0 BGAERO CC(C)CCC[NH2+]C[C@@H]1CCO[C@H]1C(C)C ZINC000336652375 385651019 /nfs/dbraw/zinc/65/10/19/385651019.db2.gz FRXPNSRZCNYRBM-KBPBESRZSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)CCC[NH2+]C[C@H]1CCO[C@H]1C(C)C ZINC000336652377 385650722 /nfs/dbraw/zinc/65/07/22/385650722.db2.gz FRXPNSRZCNYRBM-KGLIPLIRSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)CCC[NH2+]C[C@@H]1CCO[C@@H]1C(C)C ZINC000336652379 166813849 /nfs/dbraw/zinc/81/38/49/166813849.db2.gz FRXPNSRZCNYRBM-UONOGXRCSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)CCC[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000336652382 385650466 /nfs/dbraw/zinc/65/04/66/385650466.db2.gz FRXPNSRZCNYRBM-ZIAGYGMSSA-N 1 0 227.392 3.073 10 0 BGAERO CCC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CC1 ZINC000336656617 384665172 /nfs/dbraw/zinc/66/51/72/384665172.db2.gz AKMBHSOUOURZPD-NEPJUHHUSA-N 1 0 213.340 3.295 10 0 BGAERO CCC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC1 ZINC000336656619 385785693 /nfs/dbraw/zinc/78/56/93/385785693.db2.gz AKMBHSOUOURZPD-NWDGAFQWSA-N 1 0 213.340 3.295 10 0 BGAERO CCC1(C[NH2+][C@H]2CCC[C@H]2CCF)CC1 ZINC000336656620 385785544 /nfs/dbraw/zinc/78/55/44/385785544.db2.gz AKMBHSOUOURZPD-RYUDHWBXSA-N 1 0 213.340 3.295 10 0 BGAERO CCC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC1 ZINC000336656621 385785628 /nfs/dbraw/zinc/78/56/28/385785628.db2.gz AKMBHSOUOURZPD-VXGBXAGGSA-N 1 0 213.340 3.295 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)Cc1ccoc1)C(C)C ZINC000336656679 385786682 /nfs/dbraw/zinc/78/66/82/385786682.db2.gz ALKYSGDHKHOBJA-AAEUAGOBSA-N 1 0 209.333 3.235 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)Cc1ccoc1)C(C)C ZINC000336656680 350615047 /nfs/dbraw/zinc/61/50/47/350615047.db2.gz ALKYSGDHKHOBJA-DGCLKSJQSA-N 1 0 209.333 3.235 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)Cc1ccoc1)C(C)C ZINC000336656681 350614788 /nfs/dbraw/zinc/61/47/88/350614788.db2.gz ALKYSGDHKHOBJA-WCQYABFASA-N 1 0 209.333 3.235 10 0 BGAERO CC[C@H]([NH2+][C@H](C)Cc1ccoc1)C(C)C ZINC000336656682 385785942 /nfs/dbraw/zinc/78/59/42/385785942.db2.gz ALKYSGDHKHOBJA-YPMHNXCESA-N 1 0 209.333 3.235 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000336657394 180935738 /nfs/dbraw/zinc/93/57/38/180935738.db2.gz AYKRZDLAYXHYME-AVGNSLFASA-N 1 0 245.407 3.390 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCCCS1 ZINC000336657407 180936265 /nfs/dbraw/zinc/93/62/65/180936265.db2.gz AYKRZDLAYXHYME-RWMBFGLXSA-N 1 0 245.407 3.390 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCCCS1 ZINC000336657409 180935985 /nfs/dbraw/zinc/93/59/85/180935985.db2.gz AYKRZDLAYXHYME-XQQFMLRXSA-N 1 0 245.407 3.390 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCCCS1 ZINC000336657411 388459261 /nfs/dbraw/zinc/45/92/61/388459261.db2.gz AYKRZDLAYXHYME-YNEHKIRRSA-N 1 0 245.407 3.390 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000336660813 180937613 /nfs/dbraw/zinc/93/76/13/180937613.db2.gz BXQHZDNNZLNHDH-BDAKNGLRSA-N 1 0 227.245 3.057 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000336660827 388097120 /nfs/dbraw/zinc/09/71/20/388097120.db2.gz BXQHZDNNZLNHDH-DTWKUNHWSA-N 1 0 227.245 3.057 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCC(F)(F)F ZINC000336660828 384696831 /nfs/dbraw/zinc/69/68/31/384696831.db2.gz BXQHZDNNZLNHDH-IUCAKERBSA-N 1 0 227.245 3.057 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CCC(F)(F)F ZINC000336660829 384696181 /nfs/dbraw/zinc/69/61/81/384696181.db2.gz BXQHZDNNZLNHDH-RKDXNWHRSA-N 1 0 227.245 3.057 10 0 BGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cccs1 ZINC000336663093 388262279 /nfs/dbraw/zinc/26/22/79/388262279.db2.gz UBNXMCKAANGOPN-ATZCPNFKSA-N 1 0 227.398 3.293 10 0 BGAERO CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cccs1 ZINC000336663094 188163413 /nfs/dbraw/zinc/16/34/13/188163413.db2.gz UBNXMCKAANGOPN-FXPVBKGRSA-N 1 0 227.398 3.293 10 0 BGAERO CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cccs1 ZINC000336663095 175551635 /nfs/dbraw/zinc/55/16/35/175551635.db2.gz UBNXMCKAANGOPN-IQJOONFLSA-N 1 0 227.398 3.293 10 0 BGAERO CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cccs1 ZINC000336663096 398006152 /nfs/dbraw/zinc/00/61/52/398006152.db2.gz UBNXMCKAANGOPN-WCABBAIRSA-N 1 0 227.398 3.293 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H]1C)c1cccc(C)c1 ZINC000336665170 386768006 /nfs/dbraw/zinc/76/80/06/386768006.db2.gz DCKUDGXTVALXKC-FPMFFAJLSA-N 1 0 203.329 3.444 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H]1C)c1cccc(C)c1 ZINC000336665176 384749255 /nfs/dbraw/zinc/74/92/55/384749255.db2.gz DCKUDGXTVALXKC-KWCYVHTRSA-N 1 0 203.329 3.444 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C)c1cccc(C)c1 ZINC000336665177 386768125 /nfs/dbraw/zinc/76/81/25/386768125.db2.gz DCKUDGXTVALXKC-UBHSHLNASA-N 1 0 203.329 3.444 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H]1C)c1cccc(C)c1 ZINC000336665179 171550372 /nfs/dbraw/zinc/55/03/72/171550372.db2.gz DCKUDGXTVALXKC-XBFCOCLRSA-N 1 0 203.329 3.444 10 0 BGAERO CCC[C@@H](C)[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000336671712 169370337 /nfs/dbraw/zinc/37/03/37/169370337.db2.gz ARHVHRUWWZKMEZ-SECBINFHSA-N 1 0 241.404 3.114 10 0 BGAERO CCC[C@H](C)[NH2+]Cc1nnc(C(C)(C)C)s1 ZINC000336671714 386820726 /nfs/dbraw/zinc/82/07/26/386820726.db2.gz ARHVHRUWWZKMEZ-VIFPVBQESA-N 1 0 241.404 3.114 10 0 BGAERO CC1(C)SC[C@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000336675397 385595781 /nfs/dbraw/zinc/59/57/81/385595781.db2.gz BADWECYOHAXIBB-CHWSQXEVSA-N 1 0 233.380 3.158 10 0 BGAERO CC1(C)SC[C@@H]1[NH2+][C@@H]1CCc2ccccc21 ZINC000336675398 188163815 /nfs/dbraw/zinc/16/38/15/188163815.db2.gz BADWECYOHAXIBB-OLZOCXBDSA-N 1 0 233.380 3.158 10 0 BGAERO CC1(C)SC[C@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000336675399 187648577 /nfs/dbraw/zinc/64/85/77/187648577.db2.gz BADWECYOHAXIBB-QWHCGFSZSA-N 1 0 233.380 3.158 10 0 BGAERO CC1(C)SC[C@@H]1[NH2+][C@H]1CCc2ccccc21 ZINC000336675400 385596369 /nfs/dbraw/zinc/59/63/69/385596369.db2.gz BADWECYOHAXIBB-STQMWFEESA-N 1 0 233.380 3.158 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccsc1C ZINC000336676066 169538577 /nfs/dbraw/zinc/53/85/77/169538577.db2.gz CAVODCZJXOECQP-CMPLNLGQSA-N 1 0 209.358 3.335 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccsc1C ZINC000336676067 385602558 /nfs/dbraw/zinc/60/25/58/385602558.db2.gz CAVODCZJXOECQP-JQWIXIFHSA-N 1 0 209.358 3.335 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccsc1C ZINC000336676068 385602292 /nfs/dbraw/zinc/60/22/92/385602292.db2.gz CAVODCZJXOECQP-PWSUYJOCSA-N 1 0 209.358 3.335 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccsc1C ZINC000336676070 388462539 /nfs/dbraw/zinc/46/25/39/388462539.db2.gz CAVODCZJXOECQP-ZYHUDNBSSA-N 1 0 209.358 3.335 10 0 BGAERO CCCC1CCC(C[NH2+]C[C@H](C)OC)CC1 ZINC000336676827 168604947 /nfs/dbraw/zinc/60/49/47/168604947.db2.gz BXVFFLLJEVBSKA-HSBZDZAISA-N 1 0 227.392 3.217 10 0 BGAERO CCCC1CCC(C[NH2+]C[C@@H](C)OC)CC1 ZINC000336676829 168605565 /nfs/dbraw/zinc/60/55/65/168605565.db2.gz BXVFFLLJEVBSKA-IYXRBSQSSA-N 1 0 227.392 3.217 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000336680286 188340955 /nfs/dbraw/zinc/34/09/55/188340955.db2.gz GNDAKVIIGNGPIF-QJPTWQEYSA-N 1 0 215.406 3.151 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000336680289 219868337 /nfs/dbraw/zinc/86/83/37/219868337.db2.gz GNDAKVIIGNGPIF-SDDRHHMPSA-N 1 0 215.406 3.151 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000336680291 187649171 /nfs/dbraw/zinc/64/91/71/187649171.db2.gz GNDAKVIIGNGPIF-SRVKXCTJSA-N 1 0 215.406 3.151 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000336680293 385628666 /nfs/dbraw/zinc/62/86/66/385628666.db2.gz GNDAKVIIGNGPIF-TUAOUCFPSA-N 1 0 215.406 3.151 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]CC1(SC)CCC1 ZINC000336685753 385691356 /nfs/dbraw/zinc/69/13/56/385691356.db2.gz KXZBYGSTNUOGNZ-GHMZBOCLSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]CC1(SC)CCC1 ZINC000336685754 169433314 /nfs/dbraw/zinc/43/33/14/169433314.db2.gz KXZBYGSTNUOGNZ-MNOVXSKESA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]CC1(SC)CCC1 ZINC000336685755 385691024 /nfs/dbraw/zinc/69/10/24/385691024.db2.gz KXZBYGSTNUOGNZ-QWRGUYRKSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]CC1(SC)CCC1 ZINC000336685756 385691229 /nfs/dbraw/zinc/69/12/29/385691229.db2.gz KXZBYGSTNUOGNZ-WDEREUQCSA-N 1 0 213.390 3.050 10 0 BGAERO CC(C)[C@H]1OCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000336689115 385715309 /nfs/dbraw/zinc/71/53/09/385715309.db2.gz WAQUSBYPQKJIGG-CHWSQXEVSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)[C@@H]1OCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC000336689118 188165378 /nfs/dbraw/zinc/16/53/78/188165378.db2.gz WAQUSBYPQKJIGG-OLZOCXBDSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)[C@H]1OCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000336689121 167517776 /nfs/dbraw/zinc/51/77/76/167517776.db2.gz WAQUSBYPQKJIGG-QWHCGFSZSA-N 1 0 227.392 3.073 10 0 BGAERO CC(C)[C@@H]1OCC[C@H]1C[NH2+]CCC(C)(C)C ZINC000336689123 385717110 /nfs/dbraw/zinc/71/71/10/385717110.db2.gz WAQUSBYPQKJIGG-STQMWFEESA-N 1 0 227.392 3.073 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000336689239 385711162 /nfs/dbraw/zinc/71/11/62/385711162.db2.gz JZVDCSXHWBHGIE-CHWSQXEVSA-N 1 0 245.407 3.248 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000336689283 180937774 /nfs/dbraw/zinc/93/77/74/180937774.db2.gz JZVDCSXHWBHGIE-OLZOCXBDSA-N 1 0 245.407 3.248 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CC1CCSCC1 ZINC000336689287 385710745 /nfs/dbraw/zinc/71/07/45/385710745.db2.gz JZVDCSXHWBHGIE-QWHCGFSZSA-N 1 0 245.407 3.248 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CC1CCSCC1 ZINC000336689289 385711507 /nfs/dbraw/zinc/71/15/07/385711507.db2.gz JZVDCSXHWBHGIE-STQMWFEESA-N 1 0 245.407 3.248 10 0 BGAERO OCCC[C@@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000336690108 183063454 /nfs/dbraw/zinc/06/34/54/183063454.db2.gz GPPWPNPMUFACKU-HNNXBMFYSA-N 1 0 239.403 3.194 10 0 BGAERO OCCC[C@H]1CCC[N@@H+]1CCC1CCCCC1 ZINC000336690111 183063993 /nfs/dbraw/zinc/06/39/93/183063993.db2.gz GPPWPNPMUFACKU-OAHLLOKOSA-N 1 0 239.403 3.194 10 0 BGAERO CC(C)CCC[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000336690921 385724721 /nfs/dbraw/zinc/72/47/21/385724721.db2.gz WNZQABDWEWKPFN-BTTYYORXSA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)CCC[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000336690922 166812693 /nfs/dbraw/zinc/81/26/93/166812693.db2.gz WNZQABDWEWKPFN-CHWSQXEVSA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)CCC[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000336690923 385723525 /nfs/dbraw/zinc/72/35/25/385723525.db2.gz WNZQABDWEWKPFN-STQMWFEESA-N 1 0 227.392 3.216 10 0 BGAERO Cc1ncsc1C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336691838 180322660 /nfs/dbraw/zinc/32/26/60/180322660.db2.gz KUUZXSFRGUGEAE-GHMZBOCLSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1ncsc1C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336691864 180323417 /nfs/dbraw/zinc/32/34/17/180323417.db2.gz KUUZXSFRGUGEAE-MNOVXSKESA-N 1 0 242.363 3.069 10 0 BGAERO Cc1ncsc1C[NH2+][C@H]1CCC[C@H]1CCF ZINC000336691923 180323256 /nfs/dbraw/zinc/32/32/56/180323256.db2.gz KUUZXSFRGUGEAE-QWRGUYRKSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1ncsc1C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336691924 180321748 /nfs/dbraw/zinc/32/17/48/180321748.db2.gz KUUZXSFRGUGEAE-WDEREUQCSA-N 1 0 242.363 3.069 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1csc(C)c1 ZINC000336698445 385752726 /nfs/dbraw/zinc/75/27/26/385752726.db2.gz VKWBCXJWMFOPLL-NEPJUHHUSA-N 1 0 209.358 3.335 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1csc(C)c1 ZINC000336698446 169539347 /nfs/dbraw/zinc/53/93/47/169539347.db2.gz VKWBCXJWMFOPLL-NWDGAFQWSA-N 1 0 209.358 3.335 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1csc(C)c1 ZINC000336698447 385752514 /nfs/dbraw/zinc/75/25/14/385752514.db2.gz VKWBCXJWMFOPLL-RYUDHWBXSA-N 1 0 209.358 3.335 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1csc(C)c1 ZINC000336698449 385753859 /nfs/dbraw/zinc/75/38/59/385753859.db2.gz VKWBCXJWMFOPLL-VXGBXAGGSA-N 1 0 209.358 3.335 10 0 BGAERO C[C@@H]1CCC[C@H](C[N@@H+]2CCC[C@H]2CCCO)C1 ZINC000336701784 176137791 /nfs/dbraw/zinc/13/77/91/176137791.db2.gz JYECTQFBZMGUMB-ILXRZTDVSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@@H]1CCC[C@@H](C[N@@H+]2CCC[C@H]2CCCO)C1 ZINC000336701785 176117451 /nfs/dbraw/zinc/11/74/51/176117451.db2.gz JYECTQFBZMGUMB-KFWWJZLASA-N 1 0 239.403 3.050 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)[C@@H]1C ZINC000336702292 176424546 /nfs/dbraw/zinc/42/45/46/176424546.db2.gz KFKFSVIIDWISMU-OXHZDVMGSA-N 1 0 231.339 3.144 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)[C@@H]1C ZINC000336702293 176425551 /nfs/dbraw/zinc/42/55/51/176425551.db2.gz KFKFSVIIDWISMU-RFHZTLPTSA-N 1 0 231.339 3.144 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCOc3ccccc32)[C@H]1C ZINC000336702294 385769430 /nfs/dbraw/zinc/76/94/30/385769430.db2.gz KFKFSVIIDWISMU-WVWOOGAGSA-N 1 0 231.339 3.144 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCOc3ccccc32)[C@H]1C ZINC000336702295 385769390 /nfs/dbraw/zinc/76/93/90/385769390.db2.gz KFKFSVIIDWISMU-XWUBHJNHSA-N 1 0 231.339 3.144 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000336715953 385814105 /nfs/dbraw/zinc/81/41/05/385814105.db2.gz VTEQMIUMOPLBJG-GHMZBOCLSA-N 1 0 235.293 3.150 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000336715962 180937331 /nfs/dbraw/zinc/93/73/31/180937331.db2.gz VTEQMIUMOPLBJG-MNOVXSKESA-N 1 0 235.293 3.150 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000336715963 385813610 /nfs/dbraw/zinc/81/36/10/385813610.db2.gz VTEQMIUMOPLBJG-QWRGUYRKSA-N 1 0 235.293 3.150 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000336715964 385814229 /nfs/dbraw/zinc/81/42/29/385814229.db2.gz VTEQMIUMOPLBJG-WDEREUQCSA-N 1 0 235.293 3.150 10 0 BGAERO CCOCC(C)(C)C[NH2+]CC1CCC(C)CC1 ZINC000336717838 170350967 /nfs/dbraw/zinc/35/09/67/170350967.db2.gz QSXWQUIDQVNIPW-UHFFFAOYSA-N 1 0 241.419 3.465 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)COC(C)C)o1 ZINC000336725269 388470383 /nfs/dbraw/zinc/47/03/83/388470383.db2.gz BKUOXYWRIPRWPG-CMPLNLGQSA-N 1 0 225.332 3.052 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)COC(C)C)o1 ZINC000336725275 388469874 /nfs/dbraw/zinc/46/98/74/388469874.db2.gz BKUOXYWRIPRWPG-JQWIXIFHSA-N 1 0 225.332 3.052 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)COC(C)C)o1 ZINC000336725276 385842030 /nfs/dbraw/zinc/84/20/30/385842030.db2.gz BKUOXYWRIPRWPG-PWSUYJOCSA-N 1 0 225.332 3.052 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)COC(C)C)o1 ZINC000336725277 385842167 /nfs/dbraw/zinc/84/21/67/385842167.db2.gz BKUOXYWRIPRWPG-ZYHUDNBSSA-N 1 0 225.332 3.052 10 0 BGAERO CC[C@@H]([NH2+]Cc1ccc(F)cn1)C(C)(C)C ZINC000336729211 351569642 /nfs/dbraw/zinc/56/96/42/351569642.db2.gz HOIQPUPZWAPKQA-GFCCVEGCSA-N 1 0 224.323 3.135 10 0 BGAERO CC[C@H]([NH2+]Cc1ccc(F)cn1)C(C)(C)C ZINC000336729212 386102260 /nfs/dbraw/zinc/10/22/60/386102260.db2.gz HOIQPUPZWAPKQA-LBPRGKRZSA-N 1 0 224.323 3.135 10 0 BGAERO CC[C@@H]([NH2+]CCc1cccnc1)C(C)(C)C ZINC000336734729 487712616 /nfs/dbraw/zinc/71/26/16/487712616.db2.gz LCYYEHHCXHBXDU-CYBMUJFWSA-N 1 0 220.360 3.038 10 0 BGAERO CC[C@H]([NH2+]CCc1cccnc1)C(C)(C)C ZINC000336734730 487712387 /nfs/dbraw/zinc/71/23/87/487712387.db2.gz LCYYEHHCXHBXDU-ZDUSSCGKSA-N 1 0 220.360 3.038 10 0 BGAERO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000336736651 171059979 /nfs/dbraw/zinc/05/99/79/171059979.db2.gz PNAIPJYVPJHMRG-FBIMIBRVSA-N 1 0 224.373 3.291 10 0 BGAERO CC[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000336736652 171044205 /nfs/dbraw/zinc/04/42/05/171044205.db2.gz PNAIPJYVPJHMRG-GDPRMGEGSA-N 1 0 224.373 3.291 10 0 BGAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1csc(C)n1 ZINC000336736654 171045722 /nfs/dbraw/zinc/04/57/22/171045722.db2.gz PNAIPJYVPJHMRG-IEBDPFPHSA-N 1 0 224.373 3.291 10 0 BGAERO CC[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1csc(C)n1 ZINC000336736655 171060257 /nfs/dbraw/zinc/06/02/57/171060257.db2.gz PNAIPJYVPJHMRG-JMJZKYOTSA-N 1 0 224.373 3.291 10 0 BGAERO CC[C@@H]([NH2+]Cc1cncc(C)c1)C(C)(C)C ZINC000336737705 351968410 /nfs/dbraw/zinc/96/84/10/351968410.db2.gz NRUJCGMZELGYED-CYBMUJFWSA-N 1 0 220.360 3.304 10 0 BGAERO CC[C@H]([NH2+]Cc1cncc(C)c1)C(C)(C)C ZINC000336737706 171532423 /nfs/dbraw/zinc/53/24/23/171532423.db2.gz NRUJCGMZELGYED-ZDUSSCGKSA-N 1 0 220.360 3.304 10 0 BGAERO CSCCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336738244 175475677 /nfs/dbraw/zinc/47/56/77/175475677.db2.gz QZKIHDWDRWWJHM-NEPJUHHUSA-N 1 0 233.396 3.248 10 0 BGAERO CSCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336738245 175476115 /nfs/dbraw/zinc/47/61/15/175476115.db2.gz QZKIHDWDRWWJHM-NWDGAFQWSA-N 1 0 233.396 3.248 10 0 BGAERO CSCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336738246 175475794 /nfs/dbraw/zinc/47/57/94/175475794.db2.gz QZKIHDWDRWWJHM-RYUDHWBXSA-N 1 0 233.396 3.248 10 0 BGAERO CSCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336738247 385834815 /nfs/dbraw/zinc/83/48/15/385834815.db2.gz QZKIHDWDRWWJHM-VXGBXAGGSA-N 1 0 233.396 3.248 10 0 BGAERO CCC[C@@H](C)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000336738410 169360949 /nfs/dbraw/zinc/36/09/49/169360949.db2.gz OFWDCXQPYUZXPW-GHMZBOCLSA-N 1 0 224.323 3.308 10 0 BGAERO CCC[C@H](C)C[NH2+][C@H](C)c1cncc(F)c1 ZINC000336738416 385875326 /nfs/dbraw/zinc/87/53/26/385875326.db2.gz OFWDCXQPYUZXPW-WDEREUQCSA-N 1 0 224.323 3.308 10 0 BGAERO C[C@@H]([NH2+]CCCCCF)c1cncc(F)c1 ZINC000336740149 175874152 /nfs/dbraw/zinc/87/41/52/175874152.db2.gz LZEZJAMTUVSRBA-SNVBAGLBSA-N 1 0 228.286 3.011 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)CC1(OC)CCC1 ZINC000336743108 386283465 /nfs/dbraw/zinc/28/34/65/386283465.db2.gz SXULZOYCQVCKDV-JHJVBQTASA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)CC1(OC)CCC1 ZINC000336743110 386287083 /nfs/dbraw/zinc/28/70/83/386287083.db2.gz SXULZOYCQVCKDV-UPJWGTAASA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000336743111 386286224 /nfs/dbraw/zinc/28/62/24/386286224.db2.gz SXULZOYCQVCKDV-XQQFMLRXSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)CC1(OC)CCC1 ZINC000336743269 169442358 /nfs/dbraw/zinc/44/23/58/169442358.db2.gz SXULZOYCQVCKDV-YNEHKIRRSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@@H]([NH2+]CCCc1nccs1)C(C)(C)C ZINC000336743975 398181737 /nfs/dbraw/zinc/18/17/37/398181737.db2.gz UICGZJGIEJOKAC-LLVKDONJSA-N 1 0 240.416 3.490 10 0 BGAERO CC[C@H]([NH2+]CCCc1nccs1)C(C)(C)C ZINC000336743976 398181881 /nfs/dbraw/zinc/18/18/81/398181881.db2.gz UICGZJGIEJOKAC-NSHDSACASA-N 1 0 240.416 3.490 10 0 BGAERO CCc1nnc(C[NH2+][C@H](CC)C(C)(C)C)s1 ZINC000336744080 172053268 /nfs/dbraw/zinc/05/32/68/172053268.db2.gz UMNIOBQLJODNJI-SECBINFHSA-N 1 0 241.404 3.015 10 0 BGAERO CCc1nnc(C[NH2+][C@@H](CC)C(C)(C)C)s1 ZINC000336744082 172053491 /nfs/dbraw/zinc/05/34/91/172053491.db2.gz UMNIOBQLJODNJI-VIFPVBQESA-N 1 0 241.404 3.015 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000336744134 398180958 /nfs/dbraw/zinc/18/09/58/398180958.db2.gz UPKKEQGQTJYWNN-KBPBESRZSA-N 1 0 220.360 3.084 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccn(C)c1 ZINC000336744135 398181306 /nfs/dbraw/zinc/18/13/06/398181306.db2.gz UPKKEQGQTJYWNN-KGLIPLIRSA-N 1 0 220.360 3.084 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000336744136 398181095 /nfs/dbraw/zinc/18/10/95/398181095.db2.gz UPKKEQGQTJYWNN-UONOGXRCSA-N 1 0 220.360 3.084 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccn(C)c1 ZINC000336744140 386802941 /nfs/dbraw/zinc/80/29/41/386802941.db2.gz UPKKEQGQTJYWNN-ZIAGYGMSSA-N 1 0 220.360 3.084 10 0 BGAERO CC[C@@H]([NH2+]CC1(COC)CCC1)C(C)(C)C ZINC000336745230 386893690 /nfs/dbraw/zinc/89/36/90/386893690.db2.gz VLDCSILCHUMBJD-GFCCVEGCSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@H]([NH2+]CC1(COC)CCC1)C(C)(C)C ZINC000336745231 171517347 /nfs/dbraw/zinc/51/73/47/171517347.db2.gz VLDCSILCHUMBJD-LBPRGKRZSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@@H]([NH2+]Cc1c(C)noc1C)C(C)(C)C ZINC000336745670 352733479 /nfs/dbraw/zinc/73/34/79/352733479.db2.gz VUKSDCJGLVGGRH-GFCCVEGCSA-N 1 0 224.348 3.206 10 0 BGAERO CC[C@H]([NH2+]Cc1c(C)noc1C)C(C)(C)C ZINC000336745671 171528939 /nfs/dbraw/zinc/52/89/39/171528939.db2.gz VUKSDCJGLVGGRH-LBPRGKRZSA-N 1 0 224.348 3.206 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)o1 ZINC000336746212 385926623 /nfs/dbraw/zinc/92/66/23/385926623.db2.gz RGDUWYWZBQJKJQ-GXSJLCMTSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CCC2CC2)o1 ZINC000336746213 385926616 /nfs/dbraw/zinc/92/66/16/385926616.db2.gz RGDUWYWZBQJKJQ-KOLCDFICSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)CCC2CC2)o1 ZINC000336746214 385926239 /nfs/dbraw/zinc/92/62/39/385926239.db2.gz RGDUWYWZBQJKJQ-MWLCHTKSSA-N 1 0 222.332 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CCC2CC2)o1 ZINC000336746215 179654637 /nfs/dbraw/zinc/65/46/37/179654637.db2.gz RGDUWYWZBQJKJQ-ONGXEEELSA-N 1 0 222.332 3.212 10 0 BGAERO CC[C@@H]([NH2+]CC1(CCOC)CC1)C(C)(C)C ZINC000336746638 385962374 /nfs/dbraw/zinc/96/23/74/385962374.db2.gz WQZSAEWOGVYETF-GFCCVEGCSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@H]([NH2+]CC1(CCOC)CC1)C(C)(C)C ZINC000336746641 171517570 /nfs/dbraw/zinc/51/75/70/171517570.db2.gz WQZSAEWOGVYETF-LBPRGKRZSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@@H]([NH2+]Cc1cccc(C)n1)C(C)(C)C ZINC000336748110 352938737 /nfs/dbraw/zinc/93/87/37/352938737.db2.gz XUDUJBBRDVNYJV-CYBMUJFWSA-N 1 0 220.360 3.304 10 0 BGAERO CC[C@H]([NH2+]Cc1cccc(C)n1)C(C)(C)C ZINC000336748111 398197357 /nfs/dbraw/zinc/19/73/57/398197357.db2.gz XUDUJBBRDVNYJV-ZDUSSCGKSA-N 1 0 220.360 3.304 10 0 BGAERO CC[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cncc(F)c1 ZINC000336748539 171045734 /nfs/dbraw/zinc/04/57/34/171045734.db2.gz YCDSPIAYFXIZKV-BREBYQMCSA-N 1 0 222.307 3.060 10 0 BGAERO CC[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cncc(F)c1 ZINC000336748541 171060790 /nfs/dbraw/zinc/06/07/90/171060790.db2.gz YCDSPIAYFXIZKV-GIPNMCIBSA-N 1 0 222.307 3.060 10 0 BGAERO C[C@@H](NCC1CCC(C)CC1)C(F)(F)F ZINC000336749664 168156291 /nfs/dbraw/zinc/15/62/91/168156291.db2.gz FDUJRNFKQBSADN-HWOCKDDLSA-N 1 0 223.282 3.353 10 0 BGAERO CCSCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336761989 170630243 /nfs/dbraw/zinc/63/02/43/170630243.db2.gz NIJAUUJFLOUKKT-NEPJUHHUSA-N 1 0 233.396 3.248 10 0 BGAERO CCSCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336761990 386792520 /nfs/dbraw/zinc/79/25/20/386792520.db2.gz NIJAUUJFLOUKKT-NWDGAFQWSA-N 1 0 233.396 3.248 10 0 BGAERO CCSCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336761991 170629907 /nfs/dbraw/zinc/62/99/07/170629907.db2.gz NIJAUUJFLOUKKT-RYUDHWBXSA-N 1 0 233.396 3.248 10 0 BGAERO CCSCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336761992 170629261 /nfs/dbraw/zinc/62/92/61/170629261.db2.gz NIJAUUJFLOUKKT-VXGBXAGGSA-N 1 0 233.396 3.248 10 0 BGAERO CC(C)SCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000336762710 167331876 /nfs/dbraw/zinc/33/18/76/167331876.db2.gz OKUFEJWGDWIJFF-NEPJUHHUSA-N 1 0 233.396 3.246 10 0 BGAERO CC(C)SCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000336762711 167332840 /nfs/dbraw/zinc/33/28/40/167332840.db2.gz OKUFEJWGDWIJFF-NWDGAFQWSA-N 1 0 233.396 3.246 10 0 BGAERO CC(C)SCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000336762712 167333084 /nfs/dbraw/zinc/33/30/84/167333084.db2.gz OKUFEJWGDWIJFF-RYUDHWBXSA-N 1 0 233.396 3.246 10 0 BGAERO CC(C)SCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000336762713 167332365 /nfs/dbraw/zinc/33/23/65/167332365.db2.gz OKUFEJWGDWIJFF-VXGBXAGGSA-N 1 0 233.396 3.246 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000336766826 487946643 /nfs/dbraw/zinc/94/66/43/487946643.db2.gz SLOYYMUMLYGOTL-HZGVNTEJSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000336766827 177386098 /nfs/dbraw/zinc/38/60/98/177386098.db2.gz SLOYYMUMLYGOTL-IMTBSYHQSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000336766828 487946697 /nfs/dbraw/zinc/94/66/97/487946697.db2.gz SLOYYMUMLYGOTL-MUWHJKNJSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1cscc1C(F)(F)F ZINC000336766829 177349943 /nfs/dbraw/zinc/34/99/43/177349943.db2.gz SLOYYMUMLYGOTL-RCOVLWMOSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@@H]([NH2+]Cc1ccsc1Cl)[C@H]1CCCO1 ZINC000336768374 385946105 /nfs/dbraw/zinc/94/61/05/385946105.db2.gz UOJKCQBWOBVTPS-PSASIEDQSA-N 1 0 245.775 3.059 10 0 BGAERO C[C@@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CCCO1 ZINC000336768375 385944633 /nfs/dbraw/zinc/94/46/33/385944633.db2.gz UOJKCQBWOBVTPS-SCZZXKLOSA-N 1 0 245.775 3.059 10 0 BGAERO C[C@H]([NH2+]Cc1ccsc1Cl)[C@H]1CCCO1 ZINC000336768376 385944971 /nfs/dbraw/zinc/94/49/71/385944971.db2.gz UOJKCQBWOBVTPS-WCBMZHEXSA-N 1 0 245.775 3.059 10 0 BGAERO C[C@H]([NH2+]Cc1ccsc1Cl)[C@@H]1CCCO1 ZINC000336768377 385945188 /nfs/dbraw/zinc/94/51/88/385945188.db2.gz UOJKCQBWOBVTPS-WPRPVWTQSA-N 1 0 245.775 3.059 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]Cc1cscn1 ZINC000336770286 386012204 /nfs/dbraw/zinc/01/22/04/386012204.db2.gz VPYHDPCYJCVTFB-CMPLNLGQSA-N 1 0 224.373 3.202 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]Cc1cscn1 ZINC000336770287 386010665 /nfs/dbraw/zinc/01/06/65/386010665.db2.gz VPYHDPCYJCVTFB-JQWIXIFHSA-N 1 0 224.373 3.202 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]Cc1cscn1 ZINC000336770288 386010126 /nfs/dbraw/zinc/01/01/26/386010126.db2.gz VPYHDPCYJCVTFB-PWSUYJOCSA-N 1 0 224.373 3.202 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]Cc1cscn1 ZINC000336770289 386010491 /nfs/dbraw/zinc/01/04/91/386010491.db2.gz VPYHDPCYJCVTFB-ZYHUDNBSSA-N 1 0 224.373 3.202 10 0 BGAERO CC1(C[NH2+][C@H]2CCC[C@@H]2CCF)CCC1 ZINC000336770725 168046922 /nfs/dbraw/zinc/04/69/22/168046922.db2.gz WWZPVZKNVOWAHP-NEPJUHHUSA-N 1 0 213.340 3.295 10 0 BGAERO CC1(C[NH2+][C@@H]2CCC[C@H]2CCF)CCC1 ZINC000336770726 168045316 /nfs/dbraw/zinc/04/53/16/168045316.db2.gz WWZPVZKNVOWAHP-NWDGAFQWSA-N 1 0 213.340 3.295 10 0 BGAERO CC1(C[NH2+][C@H]2CCC[C@H]2CCF)CCC1 ZINC000336770728 168046134 /nfs/dbraw/zinc/04/61/34/168046134.db2.gz WWZPVZKNVOWAHP-RYUDHWBXSA-N 1 0 213.340 3.295 10 0 BGAERO CC1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CCC1 ZINC000336770729 168045809 /nfs/dbraw/zinc/04/58/09/168045809.db2.gz WWZPVZKNVOWAHP-VXGBXAGGSA-N 1 0 213.340 3.295 10 0 BGAERO CCC1CCC([NH2+][C@@H]2CC[C@H]2SC)CC1 ZINC000336774242 398235021 /nfs/dbraw/zinc/23/50/21/398235021.db2.gz ZMSMBDBQRQQEIR-FIYWTHMPSA-N 1 0 227.417 3.439 10 0 BGAERO CCC1CCC([NH2+][C@H]2CC[C@H]2SC)CC1 ZINC000336774244 168523004 /nfs/dbraw/zinc/52/30/04/168523004.db2.gz ZMSMBDBQRQQEIR-IFWUJCSASA-N 1 0 227.417 3.439 10 0 BGAERO CCC1CCC([NH2+][C@@H]2CC[C@@H]2SC)CC1 ZINC000336774247 398235105 /nfs/dbraw/zinc/23/51/05/398235105.db2.gz ZMSMBDBQRQQEIR-TUUUFIMRSA-N 1 0 227.417 3.439 10 0 BGAERO CCC1CCC([NH2+][C@H]2CC[C@@H]2SC)CC1 ZINC000336774248 398235006 /nfs/dbraw/zinc/23/50/06/398235006.db2.gz ZMSMBDBQRQQEIR-TYUFSLCMSA-N 1 0 227.417 3.439 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@@H]2C)cs1 ZINC000336774676 180050568 /nfs/dbraw/zinc/05/05/68/180050568.db2.gz ZNUQPPROKOAOSK-FTYOSLGDSA-N 1 0 224.373 3.147 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@H](C)[C@H]2C)cs1 ZINC000336774679 180050770 /nfs/dbraw/zinc/05/07/70/180050770.db2.gz ZNUQPPROKOAOSK-QCBRBAQYSA-N 1 0 224.373 3.147 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@H]2C)cs1 ZINC000336774684 180051066 /nfs/dbraw/zinc/05/10/66/180051066.db2.gz ZNUQPPROKOAOSK-SDNRWEOFSA-N 1 0 224.373 3.147 10 0 BGAERO Cc1nc([C@H](C)[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)cs1 ZINC000336774688 180050776 /nfs/dbraw/zinc/05/07/76/180050776.db2.gz ZNUQPPROKOAOSK-UYAYMFIHSA-N 1 0 224.373 3.147 10 0 BGAERO CCc1cnc(CC[NH2+][C@@H]2CCC2(C)C)s1 ZINC000336779424 171909163 /nfs/dbraw/zinc/90/91/63/171909163.db2.gz OFSSZTJDKKSDEB-LLVKDONJSA-N 1 0 238.400 3.026 10 0 BGAERO CCc1cnc(CC[NH2+][C@H]2CCC2(C)C)s1 ZINC000336779425 353557227 /nfs/dbraw/zinc/55/72/27/353557227.db2.gz OFSSZTJDKKSDEB-NSHDSACASA-N 1 0 238.400 3.026 10 0 BGAERO CC[C@H]([NH2+][C@@H](CO)CC(C)C)c1cccc(C)c1 ZINC000336786695 387003776 /nfs/dbraw/zinc/00/37/76/387003776.db2.gz ISELALVKPHRPHY-CVEARBPZSA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@H]([NH2+][C@H](CO)CC(C)C)c1cccc(C)c1 ZINC000336786696 387003559 /nfs/dbraw/zinc/00/35/59/387003559.db2.gz ISELALVKPHRPHY-HOTGVXAUSA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@@H]([NH2+][C@@H](CO)CC(C)C)c1cccc(C)c1 ZINC000336786697 170909450 /nfs/dbraw/zinc/90/94/50/170909450.db2.gz ISELALVKPHRPHY-HZPDHXFCSA-N 1 0 249.398 3.443 10 0 BGAERO CC[C@@H]([NH2+][C@H](CO)CC(C)C)c1cccc(C)c1 ZINC000336786698 356657192 /nfs/dbraw/zinc/65/71/92/356657192.db2.gz ISELALVKPHRPHY-JKSUJKDBSA-N 1 0 249.398 3.443 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+][C@H]2CCC2(C)C)c1C ZINC000336788681 172248679 /nfs/dbraw/zinc/24/86/79/172248679.db2.gz HMRQICMCUWICKK-GWCFXTLKSA-N 1 0 249.402 3.359 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+][C@@H]2CCC2(C)C)c1C ZINC000336788686 172248185 /nfs/dbraw/zinc/24/81/85/172248185.db2.gz HMRQICMCUWICKK-GXFFZTMASA-N 1 0 249.402 3.359 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+][C@H]2CCC2(C)C)c1C ZINC000336788687 172248911 /nfs/dbraw/zinc/24/89/11/172248911.db2.gz HMRQICMCUWICKK-MFKMUULPSA-N 1 0 249.402 3.359 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+][C@@H]2CCC2(C)C)c1C ZINC000336788688 172248671 /nfs/dbraw/zinc/24/86/71/172248671.db2.gz HMRQICMCUWICKK-ZWNOBZJWSA-N 1 0 249.402 3.359 10 0 BGAERO COc1ccncc1C[NH2+]CC1CCC(C)CC1 ZINC000336789192 175371974 /nfs/dbraw/zinc/37/19/74/175371974.db2.gz ISFWMWSXDUVYCR-UHFFFAOYSA-N 1 0 248.370 3.006 10 0 BGAERO CN(C)C[C@@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000336789530 388471315 /nfs/dbraw/zinc/47/13/15/388471315.db2.gz JIAYRPSQDAUWMY-CABCVRRESA-N 1 0 246.398 3.068 10 0 BGAERO CN(C)C[C@H]([NH2+][C@H]1CCC1(C)C)c1ccccc1 ZINC000336789531 388471465 /nfs/dbraw/zinc/47/14/65/388471465.db2.gz JIAYRPSQDAUWMY-GJZGRUSLSA-N 1 0 246.398 3.068 10 0 BGAERO CN(C)C[C@@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000336789532 172482525 /nfs/dbraw/zinc/48/25/25/172482525.db2.gz JIAYRPSQDAUWMY-HUUCEWRRSA-N 1 0 246.398 3.068 10 0 BGAERO CN(C)C[C@H]([NH2+][C@@H]1CCC1(C)C)c1ccccc1 ZINC000336789533 172492874 /nfs/dbraw/zinc/49/28/74/172492874.db2.gz JIAYRPSQDAUWMY-LSDHHAIUSA-N 1 0 246.398 3.068 10 0 BGAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000336894408 170022544 /nfs/dbraw/zinc/02/25/44/170022544.db2.gz LXLPFOMUQANGLH-CABCVRRESA-N 1 0 246.398 3.048 10 0 BGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000336894411 170014488 /nfs/dbraw/zinc/01/44/88/170014488.db2.gz LXLPFOMUQANGLH-HUUCEWRRSA-N 1 0 246.398 3.048 10 0 BGAERO Cc1ccc([C@H](C)NCc2ccnn2C(C)C)o1 ZINC000337205928 388850465 /nfs/dbraw/zinc/85/04/65/388850465.db2.gz LNIOIIXHZKRLEV-LBPRGKRZSA-N 1 0 247.342 3.216 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCCC[C@@H]2C)o1 ZINC000337251544 388472374 /nfs/dbraw/zinc/47/23/74/388472374.db2.gz KLNJPYIOLPYMBD-DRZSPHRISA-N 1 0 236.359 3.460 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCC[C@H]2C)o1 ZINC000337251545 388472279 /nfs/dbraw/zinc/47/22/79/388472279.db2.gz KLNJPYIOLPYMBD-KGYLQXTDSA-N 1 0 236.359 3.460 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2C)o1 ZINC000337251546 388853137 /nfs/dbraw/zinc/85/31/37/388853137.db2.gz KLNJPYIOLPYMBD-WCFLWFBJSA-N 1 0 236.359 3.460 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CCCC[C@H]2C)o1 ZINC000337251547 388853703 /nfs/dbraw/zinc/85/37/03/388853703.db2.gz KLNJPYIOLPYMBD-WXHSDQCUSA-N 1 0 236.359 3.460 10 0 BGAERO Cc1nocc1C[NH2+][C@@H](C)c1ccc(C)c(F)c1 ZINC000339296492 384984007 /nfs/dbraw/zinc/98/40/07/384984007.db2.gz BBZFQEGAKMVJHT-JTQLQIEISA-N 1 0 248.301 3.281 10 0 BGAERO CC(C)C[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000339467225 167015661 /nfs/dbraw/zinc/01/56/61/167015661.db2.gz DNEZUVOISIGDRK-UONOGXRCSA-N 1 0 203.329 3.178 10 0 BGAERO C[C@H]([NH2+][C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000339470863 388483425 /nfs/dbraw/zinc/48/34/25/388483425.db2.gz VYKZABGTFAFLSR-TUKIKUTGSA-N 1 0 215.340 3.321 10 0 BGAERO C[C@H](F)CC[NH2+]CC1CCC(C)CC1 ZINC000339494158 168155530 /nfs/dbraw/zinc/15/55/30/168155530.db2.gz KPZXYPHOXHHPFY-CXQJBGSLSA-N 1 0 201.329 3.150 10 0 BGAERO C[C@@H](F)CC[NH2+]CC1CCC(C)CC1 ZINC000339494161 168155466 /nfs/dbraw/zinc/15/54/66/168155466.db2.gz KPZXYPHOXHHPFY-MOENNCHZSA-N 1 0 201.329 3.150 10 0 BGAERO CC(C)C1([NH2+]Cc2ccn(C3CCCC3)n2)CC1 ZINC000339504497 388483856 /nfs/dbraw/zinc/48/38/56/388483856.db2.gz HXLXDDBHVGDWSH-UHFFFAOYSA-N 1 0 247.386 3.276 10 0 BGAERO CC(C)C1([NH2+]Cc2c(F)cccc2F)CC1 ZINC000339505821 388483701 /nfs/dbraw/zinc/48/37/01/388483701.db2.gz XOGWNMGKOQTMOF-UHFFFAOYSA-N 1 0 225.282 3.243 10 0 BGAERO CC(C)C1([NH2+]CCCCOC(C)(C)C)CC1 ZINC000339512543 385010517 /nfs/dbraw/zinc/01/05/17/385010517.db2.gz HKEXFGDPDYSRSZ-UHFFFAOYSA-N 1 0 227.392 3.360 10 0 BGAERO CCC1CCC([NH2+][C@@H]2CCCc3n[nH]cc32)CC1 ZINC000340431391 385062530 /nfs/dbraw/zinc/06/25/30/385062530.db2.gz JLVBBIUITRZMEL-ORHYLEIMSA-N 1 0 247.386 3.346 10 0 BGAERO CCC1CCC([NH2+][C@H]2CCCc3n[nH]cc32)CC1 ZINC000340431392 385063025 /nfs/dbraw/zinc/06/30/25/385063025.db2.gz JLVBBIUITRZMEL-YIZWMMSDSA-N 1 0 247.386 3.346 10 0 BGAERO CC[C@H](C)[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000340454283 171349442 /nfs/dbraw/zinc/34/94/42/171349442.db2.gz CAWFAKDBVUMLKB-FPMFFAJLSA-N 1 0 203.329 3.321 10 0 BGAERO CC1CC([NH2+][C@]2(C)C[C@H]2c2ccccc2)C1 ZINC000340455849 168148557 /nfs/dbraw/zinc/14/85/57/168148557.db2.gz PIPDIUFVGPLFTD-RIXNLZLZSA-N 1 0 215.340 3.321 10 0 BGAERO CC(C)C1([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000340476773 636040702 /nfs/dbraw/zinc/04/07/02/636040702.db2.gz CXHCCDNYEYDYDY-UHFFFAOYSA-N 1 0 225.376 3.111 10 0 BGAERO C[C@@H]([NH2+][C@@H](C)c1ccc2ccccc2c1)[C@H](C)O ZINC000341075199 636158559 /nfs/dbraw/zinc/15/85/59/636158559.db2.gz XZDRFBWUXWUSKA-AGIUHOORSA-N 1 0 243.350 3.260 10 0 BGAERO C[C@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000341075200 636158284 /nfs/dbraw/zinc/15/82/84/636158284.db2.gz XZDRFBWUXWUSKA-AVGNSLFASA-N 1 0 243.350 3.260 10 0 BGAERO C[C@@H](O)[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000341075203 636158618 /nfs/dbraw/zinc/15/86/18/636158618.db2.gz XZDRFBWUXWUSKA-FRRDWIJNSA-N 1 0 243.350 3.260 10 0 BGAERO C[C@@H](O)[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000341075207 636158500 /nfs/dbraw/zinc/15/85/00/636158500.db2.gz XZDRFBWUXWUSKA-RWMBFGLXSA-N 1 0 243.350 3.260 10 0 BGAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)cc1 ZINC000341080870 636158445 /nfs/dbraw/zinc/15/84/45/636158445.db2.gz ZQXASQDEXYRFLO-HZSPNIEDSA-N 1 0 249.398 3.305 10 0 BGAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)cc1 ZINC000341080872 636158158 /nfs/dbraw/zinc/15/81/58/636158158.db2.gz ZQXASQDEXYRFLO-IHRRRGAJSA-N 1 0 249.398 3.305 10 0 BGAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)cc1 ZINC000341080874 636158683 /nfs/dbraw/zinc/15/86/83/636158683.db2.gz ZQXASQDEXYRFLO-MELADBBJSA-N 1 0 249.398 3.305 10 0 BGAERO CC(C)Cc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)O)cc1 ZINC000341080875 636157885 /nfs/dbraw/zinc/15/78/85/636157885.db2.gz ZQXASQDEXYRFLO-RDBSUJKOSA-N 1 0 249.398 3.305 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC(C)(C)C1 ZINC000341336362 176374715 /nfs/dbraw/zinc/37/47/15/176374715.db2.gz SRQPNHNPATYZLH-CHWSQXEVSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC(C)(C)C1 ZINC000341336364 385108123 /nfs/dbraw/zinc/10/81/23/385108123.db2.gz SRQPNHNPATYZLH-OLZOCXBDSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC(C)(C)C1 ZINC000341336365 177331451 /nfs/dbraw/zinc/33/14/51/177331451.db2.gz SRQPNHNPATYZLH-QWHCGFSZSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC(C)(C)C1 ZINC000341336366 177368900 /nfs/dbraw/zinc/36/89/00/177368900.db2.gz SRQPNHNPATYZLH-STQMWFEESA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CC=CCC2)C[C@H](C)O1 ZINC000341479810 177362170 /nfs/dbraw/zinc/36/21/70/177362170.db2.gz HLKOAKACUOPAEZ-LXTVHRRPSA-N 1 0 237.387 3.136 10 0 BGAERO C[C@@H]1CC(C[NH2+]C[C@H]2CC=CCC2)C[C@@H](C)O1 ZINC000341479811 187355732 /nfs/dbraw/zinc/35/57/32/187355732.db2.gz HLKOAKACUOPAEZ-MCIONIFRSA-N 1 0 237.387 3.136 10 0 BGAERO C[C@@H]1CC(C[NH2+]C[C@@H]2CC=CCC2)C[C@@H](C)O1 ZINC000341479812 386912709 /nfs/dbraw/zinc/91/27/09/386912709.db2.gz HLKOAKACUOPAEZ-MGPQQGTHSA-N 1 0 237.387 3.136 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CC=CCC2)C[C@H](C)O1 ZINC000341479813 177362636 /nfs/dbraw/zinc/36/26/36/177362636.db2.gz HLKOAKACUOPAEZ-XGUBFFRZSA-N 1 0 237.387 3.136 10 0 BGAERO Cc1ccccc1C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000341480517 179281336 /nfs/dbraw/zinc/28/13/36/179281336.db2.gz IZOYECBGFPEULW-KBPBESRZSA-N 1 0 247.382 3.288 10 0 BGAERO Cc1ccccc1C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000341480518 179282404 /nfs/dbraw/zinc/28/24/04/179282404.db2.gz IZOYECBGFPEULW-QDMKHBRRSA-N 1 0 247.382 3.288 10 0 BGAERO Cc1ccccc1C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000341480519 179281395 /nfs/dbraw/zinc/28/13/95/179281395.db2.gz IZOYECBGFPEULW-ZIAGYGMSSA-N 1 0 247.382 3.288 10 0 BGAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@@H]1CC1(C)C ZINC000341486090 188044591 /nfs/dbraw/zinc/04/45/91/188044591.db2.gz MRQHYUHHVGFICO-BYNQJWBRSA-N 1 0 239.403 3.214 10 0 BGAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)[C@H]1CC1(C)C ZINC000341486091 188044641 /nfs/dbraw/zinc/04/46/41/188044641.db2.gz MRQHYUHHVGFICO-HKUMRIAESA-N 1 0 239.403 3.214 10 0 BGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC1(C)C ZINC000341486092 177363435 /nfs/dbraw/zinc/36/34/35/177363435.db2.gz MRQHYUHHVGFICO-ITGHMWBKSA-N 1 0 239.403 3.214 10 0 BGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC1(C)C ZINC000341486093 177363685 /nfs/dbraw/zinc/36/36/85/177363685.db2.gz MRQHYUHHVGFICO-XVIXHAIJSA-N 1 0 239.403 3.214 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000341493730 176143413 /nfs/dbraw/zinc/14/34/13/176143413.db2.gz WJWIHTJCEOLUMY-BHPKHCPMSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+]CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000341493731 188044426 /nfs/dbraw/zinc/04/44/26/188044426.db2.gz WJWIHTJCEOLUMY-OSFYFWSMSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000341493732 177363891 /nfs/dbraw/zinc/36/38/91/177363891.db2.gz WJWIHTJCEOLUMY-QMIVOQANSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000341493733 177363333 /nfs/dbraw/zinc/36/33/33/177363333.db2.gz WJWIHTJCEOLUMY-UXXRCYHCSA-N 1 0 239.403 3.358 10 0 BGAERO CC1CCC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000341493808 168163094 /nfs/dbraw/zinc/16/30/94/168163094.db2.gz WTYILBHHDVVWAZ-DNCHLWJUSA-N 1 0 239.403 3.358 10 0 BGAERO CC1CCC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000341493809 168163185 /nfs/dbraw/zinc/16/31/85/168163185.db2.gz WTYILBHHDVVWAZ-FMPXUHTOSA-N 1 0 239.403 3.358 10 0 BGAERO CC1CCC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000341493810 168164146 /nfs/dbraw/zinc/16/41/46/168164146.db2.gz WTYILBHHDVVWAZ-LAKJJFTBSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)(C)[C@@H]1CCC[N@H+](CC2(O)CCC2)CC1 ZINC000342352634 535074014 /nfs/dbraw/zinc/07/40/14/535074014.db2.gz AIGCDULMOUWHHS-CYBMUJFWSA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)(C)[C@H]1CCC[N@H+](CC2(O)CCC2)CC1 ZINC000342352637 135260877 /nfs/dbraw/zinc/26/08/77/135260877.db2.gz AIGCDULMOUWHHS-ZDUSSCGKSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@@H](C[N@@H+]1CCC[C@H]1CCCO)c1ccccc1 ZINC000342613033 388497238 /nfs/dbraw/zinc/49/72/38/388497238.db2.gz CGMCTMYDTMSDSX-HOCLYGCPSA-N 1 0 247.382 3.027 10 0 BGAERO C[C@H](C[N@@H+]1CCC[C@H]1CCCO)c1ccccc1 ZINC000342613034 385150145 /nfs/dbraw/zinc/15/01/45/385150145.db2.gz CGMCTMYDTMSDSX-ZBFHGGJFSA-N 1 0 247.382 3.027 10 0 BGAERO CCC1([NH2+]CC2CCC(C)CC2)CCOCC1 ZINC000343243798 388500335 /nfs/dbraw/zinc/50/03/35/388500335.db2.gz OFXJKNBVJDWWFF-UHFFFAOYSA-N 1 0 239.403 3.362 10 0 BGAERO C[C@@H]1CC(C[NH2+][C@H]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000343528569 353929049 /nfs/dbraw/zinc/92/90/49/353929049.db2.gz AKTPPEQKQBSGRO-BZPMIXESSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000343528570 353928828 /nfs/dbraw/zinc/92/88/28/353928828.db2.gz AKTPPEQKQBSGRO-CRWXNKLISA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000343528572 353928690 /nfs/dbraw/zinc/92/86/90/353928690.db2.gz AKTPPEQKQBSGRO-XJFOESAGSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1CC(C[NH2+][C@@H]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000343528574 353929051 /nfs/dbraw/zinc/92/90/51/353929051.db2.gz AKTPPEQKQBSGRO-YRGRVCCFSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H](CCC1CC1)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000343616098 353945685 /nfs/dbraw/zinc/94/56/85/353945685.db2.gz SZLKUDQAICMBKS-AGIUHOORSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H](CCC1CC1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000343616099 353945762 /nfs/dbraw/zinc/94/57/62/353945762.db2.gz SZLKUDQAICMBKS-GUIRCDHDSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H](CCC1CC1)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000343616100 353945712 /nfs/dbraw/zinc/94/57/12/353945712.db2.gz SZLKUDQAICMBKS-JHJVBQTASA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H](CCC1CC1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000343616101 353945991 /nfs/dbraw/zinc/94/59/91/353945991.db2.gz SZLKUDQAICMBKS-XPCVCDNBSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCOC2)CC(C)(C)C1 ZINC000344367927 365687068 /nfs/dbraw/zinc/68/70/68/365687068.db2.gz KOVWTKXRLALIAG-IPYPFGDCSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCOC2)CC(C)(C)C1 ZINC000344367928 365686491 /nfs/dbraw/zinc/68/64/91/365686491.db2.gz KOVWTKXRLALIAG-NFAWXSAZSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCOC2)CC(C)(C)C1 ZINC000344367929 365686462 /nfs/dbraw/zinc/68/64/62/365686462.db2.gz KOVWTKXRLALIAG-UMVBOHGHSA-N 1 0 239.403 3.217 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCOC2)CC(C)(C)C1 ZINC000344367930 365687265 /nfs/dbraw/zinc/68/72/65/365687265.db2.gz KOVWTKXRLALIAG-VNHYZAJKSA-N 1 0 239.403 3.217 10 0 BGAERO CC1(C)CC([NH2+][C@@H]2CCOc3ccccc32)C1 ZINC000347412025 388523218 /nfs/dbraw/zinc/52/32/18/388523218.db2.gz GBJOHWAFYFYGSG-CYBMUJFWSA-N 1 0 231.339 3.288 10 0 BGAERO CC1(C)CC([NH2+][C@H]2CCOc3ccccc32)C1 ZINC000347412027 388522982 /nfs/dbraw/zinc/52/29/82/388522982.db2.gz GBJOHWAFYFYGSG-ZDUSSCGKSA-N 1 0 231.339 3.288 10 0 BGAERO Cc1cnn(CC[NH2+]CCC2CCCCCC2)c1 ZINC000347788542 136009963 /nfs/dbraw/zinc/00/99/63/136009963.db2.gz CYWBTFDBJMCCFU-UHFFFAOYSA-N 1 0 249.402 3.142 10 0 BGAERO Cc1cnn(CC[NH2+]CCCC2CCCCC2)c1 ZINC000347808275 388524116 /nfs/dbraw/zinc/52/41/16/388524116.db2.gz SFRLIOWSZSVXPW-UHFFFAOYSA-N 1 0 249.402 3.142 10 0 BGAERO CN1CCC[C@H]1C[NH2+]CCCC1CCCCC1 ZINC000347900366 388524453 /nfs/dbraw/zinc/52/44/53/388524453.db2.gz JYSDWQMVPUQCNY-HNNXBMFYSA-N 1 0 238.419 3.031 10 0 BGAERO CN1CCC[C@@H]1C[NH2+]CCCC1CCCCC1 ZINC000347900368 388524563 /nfs/dbraw/zinc/52/45/63/388524563.db2.gz JYSDWQMVPUQCNY-OAHLLOKOSA-N 1 0 238.419 3.031 10 0 BGAERO CN1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC000347906466 388523894 /nfs/dbraw/zinc/52/38/94/388523894.db2.gz PBYODVPOGKCIFX-HNNXBMFYSA-N 1 0 238.419 3.031 10 0 BGAERO CN1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC000347906468 388524888 /nfs/dbraw/zinc/52/48/88/388524888.db2.gz PBYODVPOGKCIFX-OAHLLOKOSA-N 1 0 238.419 3.031 10 0 BGAERO O[C@H]1CCC[C@H]1C[NH2+]CCCC1CCCCC1 ZINC000348041383 388525423 /nfs/dbraw/zinc/52/54/23/388525423.db2.gz LNDTUKATOVEPKT-GJZGRUSLSA-N 1 0 239.403 3.098 10 0 BGAERO O[C@@H]1CCC[C@@H]1C[NH2+]CCCC1CCCCC1 ZINC000348041386 388525269 /nfs/dbraw/zinc/52/52/69/388525269.db2.gz LNDTUKATOVEPKT-HUUCEWRRSA-N 1 0 239.403 3.098 10 0 BGAERO CCC1(C)CCC([NH2+][C@H]2CCO[C@H]2C)CC1 ZINC000348157998 366095776 /nfs/dbraw/zinc/09/57/76/366095776.db2.gz GRTLOZDXMWRCHN-AHPWVWPOSA-N 1 0 225.376 3.112 10 0 BGAERO CCC1(C)CCC([NH2+][C@@H]2CCO[C@@H]2C)CC1 ZINC000348157999 388526791 /nfs/dbraw/zinc/52/67/91/388526791.db2.gz GRTLOZDXMWRCHN-NELGMTEASA-N 1 0 225.376 3.112 10 0 BGAERO CCC1(C)CCC([NH2+][C@@H]2CCO[C@H]2C)CC1 ZINC000348158000 168444740 /nfs/dbraw/zinc/44/47/40/168444740.db2.gz GRTLOZDXMWRCHN-RJZJGCCBSA-N 1 0 225.376 3.112 10 0 BGAERO CCC1(C)CCC([NH2+][C@H]2CCO[C@@H]2C)CC1 ZINC000348158001 388526450 /nfs/dbraw/zinc/52/64/50/388526450.db2.gz GRTLOZDXMWRCHN-ZIHBUVQPSA-N 1 0 225.376 3.112 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)[C@@H](C)O)cc1C ZINC000348319669 639045563 /nfs/dbraw/zinc/04/55/63/639045563.db2.gz GGPMVXVZAKOPJM-HZSPNIEDSA-N 1 0 235.371 3.032 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@H](C)O)cc1C ZINC000348319670 639045659 /nfs/dbraw/zinc/04/56/59/639045659.db2.gz GGPMVXVZAKOPJM-IHRRRGAJSA-N 1 0 235.371 3.032 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)cc1C ZINC000348319671 639046248 /nfs/dbraw/zinc/04/62/48/639046248.db2.gz GGPMVXVZAKOPJM-MELADBBJSA-N 1 0 235.371 3.032 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+][C@H](C)[C@H](C)O)cc1C ZINC000348319672 639046502 /nfs/dbraw/zinc/04/65/02/639046502.db2.gz GGPMVXVZAKOPJM-RDBSUJKOSA-N 1 0 235.371 3.032 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+][C@@H](C)[C@H](C)O)cc1 ZINC000348342350 639052340 /nfs/dbraw/zinc/05/23/40/639052340.db2.gz ZKGRPPXDWFZNFZ-HUBLWGQQSA-N 1 0 235.371 3.059 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+][C@H](C)[C@@H](C)O)cc1 ZINC000348342351 639053326 /nfs/dbraw/zinc/05/33/26/639053326.db2.gz ZKGRPPXDWFZNFZ-JMSVASOKSA-N 1 0 235.371 3.059 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+][C@H](C)[C@H](C)O)cc1 ZINC000348342352 639053519 /nfs/dbraw/zinc/05/35/19/639053519.db2.gz ZKGRPPXDWFZNFZ-XUJVJEKNSA-N 1 0 235.371 3.059 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+][C@@H](C)[C@@H](C)O)cc1 ZINC000348342353 639052757 /nfs/dbraw/zinc/05/27/57/639052757.db2.gz ZKGRPPXDWFZNFZ-ZOWXZIJZSA-N 1 0 235.371 3.059 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)O)cc1 ZINC000348438183 639209564 /nfs/dbraw/zinc/20/95/64/639209564.db2.gz XXTGWLJNGUTFGR-AGIUHOORSA-N 1 0 235.371 3.059 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)O)cc1 ZINC000348438185 643591558 /nfs/dbraw/zinc/59/15/58/643591558.db2.gz XXTGWLJNGUTFGR-AVGNSLFASA-N 1 0 235.371 3.059 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)O)cc1 ZINC000348438187 639208804 /nfs/dbraw/zinc/20/88/04/639208804.db2.gz XXTGWLJNGUTFGR-FRRDWIJNSA-N 1 0 235.371 3.059 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)O)cc1 ZINC000348438189 643590294 /nfs/dbraw/zinc/59/02/94/643590294.db2.gz XXTGWLJNGUTFGR-RWMBFGLXSA-N 1 0 235.371 3.059 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]Cc2[nH]ncc2C)cc1 ZINC000352853807 386741998 /nfs/dbraw/zinc/74/19/98/386741998.db2.gz OWBCQGLNBJASAN-GFCCVEGCSA-N 1 0 243.354 3.131 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]Cc2[nH]ncc2C)cc1 ZINC000352853808 386743366 /nfs/dbraw/zinc/74/33/66/386743366.db2.gz OWBCQGLNBJASAN-LBPRGKRZSA-N 1 0 243.354 3.131 10 0 BGAERO CC(C)C1CCC(C[NH2+]CCc2cn[nH]c2)CC1 ZINC000353248266 388541965 /nfs/dbraw/zinc/54/19/65/388541965.db2.gz LHODJBHHGHCVDP-UHFFFAOYSA-N 1 0 249.402 3.004 10 0 BGAERO Cc1cccc(CC[NH2+]CC2CCC(C)CC2)n1 ZINC000355218854 538788253 /nfs/dbraw/zinc/78/82/53/538788253.db2.gz KTZWFVOHUGGCRY-UHFFFAOYSA-N 1 0 246.398 3.348 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCc3ccccc32)CCO1 ZINC000356691889 176369665 /nfs/dbraw/zinc/36/96/65/176369665.db2.gz GVNHYDIEKPMHAY-DVOMOZLQSA-N 1 0 245.366 3.079 10 0 BGAERO C[C@@H]1C[C@H](C[NH2+][C@H]2CCc3ccccc32)CCO1 ZINC000356691891 176415037 /nfs/dbraw/zinc/41/50/37/176415037.db2.gz GVNHYDIEKPMHAY-IOASZLSFSA-N 1 0 245.366 3.079 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCc3ccccc32)CCO1 ZINC000356691893 176370317 /nfs/dbraw/zinc/37/03/17/176370317.db2.gz GVNHYDIEKPMHAY-WWGRRREGSA-N 1 0 245.366 3.079 10 0 BGAERO C[C@@H]1C[C@H](C[NH2+][C@@H]2CCc3ccccc32)CCO1 ZINC000356691895 176415050 /nfs/dbraw/zinc/41/50/50/176415050.db2.gz GVNHYDIEKPMHAY-XJKCOSOUSA-N 1 0 245.366 3.079 10 0 BGAERO CC1CCC(C[NH2+]CCC(C)(F)F)CC1 ZINC000357718033 168154903 /nfs/dbraw/zinc/15/49/03/168154903.db2.gz SXIYLBJEQJZOGO-UHFFFAOYSA-N 1 0 219.319 3.448 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CCC2(C)CC2)c1C ZINC000358995569 172248431 /nfs/dbraw/zinc/24/84/31/172248431.db2.gz ZSIZGHQAWHAIOP-LLVKDONJSA-N 1 0 249.402 3.361 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CCC2(C)CC2)c1C ZINC000358995577 172248236 /nfs/dbraw/zinc/24/82/36/172248236.db2.gz ZSIZGHQAWHAIOP-NSHDSACASA-N 1 0 249.402 3.361 10 0 BGAERO Cc1ccc(C(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]32)cc1 ZINC000360146133 188069095 /nfs/dbraw/zinc/06/90/95/188069095.db2.gz ABEFCZMYSSFIAK-GJZGRUSLSA-N 1 0 243.350 3.052 10 0 BGAERO Cc1ccc(C(=O)CC[N@@H+]2C[C@H]3CCC[C@H]32)cc1 ZINC000360146135 188241204 /nfs/dbraw/zinc/24/12/04/188241204.db2.gz ABEFCZMYSSFIAK-HUUCEWRRSA-N 1 0 243.350 3.052 10 0 BGAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000367186955 387352398 /nfs/dbraw/zinc/35/23/98/387352398.db2.gz PFPRMSNYLYWFCU-ATGSNQNLSA-N 1 0 243.350 3.288 10 0 BGAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000367186956 387353188 /nfs/dbraw/zinc/35/31/88/387353188.db2.gz PFPRMSNYLYWFCU-PMOUVXMZSA-N 1 0 243.350 3.288 10 0 BGAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000367186957 387352718 /nfs/dbraw/zinc/35/27/18/387352718.db2.gz PFPRMSNYLYWFCU-ZGKBOVNRSA-N 1 0 243.350 3.288 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H]2CCCc3n[nH]cc32)o1 ZINC000367616620 384935754 /nfs/dbraw/zinc/93/57/54/384935754.db2.gz LRAJJZYEBJJCEL-CMPLNLGQSA-N 1 0 245.326 3.039 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H]2CCCc3n[nH]cc32)o1 ZINC000367616621 384934178 /nfs/dbraw/zinc/93/41/78/384934178.db2.gz LRAJJZYEBJJCEL-JQWIXIFHSA-N 1 0 245.326 3.039 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCc3n[nH]cc32)o1 ZINC000367616622 384935468 /nfs/dbraw/zinc/93/54/68/384935468.db2.gz LRAJJZYEBJJCEL-PWSUYJOCSA-N 1 0 245.326 3.039 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H]2CCCc3n[nH]cc32)o1 ZINC000367616623 384934563 /nfs/dbraw/zinc/93/45/63/384934563.db2.gz LRAJJZYEBJJCEL-ZYHUDNBSSA-N 1 0 245.326 3.039 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000378661386 356630377 /nfs/dbraw/zinc/63/03/77/356630377.db2.gz BQUOYUDHAHJBCJ-HTRCEHHLSA-N 1 0 235.274 3.265 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCCC[C@H]1O ZINC000378662279 346799732 /nfs/dbraw/zinc/79/97/32/346799732.db2.gz ALMCNPIXBYLFNW-XDQVBPFNSA-N 1 0 227.392 3.094 10 0 BGAERO Clc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)n1 ZINC000378673169 712356780 /nfs/dbraw/zinc/35/67/80/712356780.db2.gz MDYUFXULGYNKMC-MVWJERBFSA-N 1 0 236.746 3.013 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)C1CCSCC1 ZINC000378684126 388482160 /nfs/dbraw/zinc/48/21/60/388482160.db2.gz AAHPIGGWSWVILO-SCUASFONSA-N 1 0 239.428 3.296 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000378691413 346808633 /nfs/dbraw/zinc/80/86/33/346808633.db2.gz IUWOQLRMQIUFHD-FDYHWXHSSA-N 1 0 227.417 3.295 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000378691416 346808200 /nfs/dbraw/zinc/80/82/00/346808200.db2.gz IUWOQLRMQIUFHD-LPWJVIDDSA-N 1 0 227.417 3.295 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000378691417 346808648 /nfs/dbraw/zinc/80/86/48/346808648.db2.gz IUWOQLRMQIUFHD-XQHKEYJVSA-N 1 0 227.417 3.295 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000378691418 346807891 /nfs/dbraw/zinc/80/78/91/346807891.db2.gz IUWOQLRMQIUFHD-YVECIDJPSA-N 1 0 227.417 3.295 10 0 BGAERO C1=C(CC[NH2+][C@@H]2CCC[C@H]3C[C@H]32)CCC1 ZINC000378709477 346812526 /nfs/dbraw/zinc/81/25/26/346812526.db2.gz RZGSEOLBKSJMOU-BFHYXJOUSA-N 1 0 205.345 3.265 10 0 BGAERO C1=C(CC[NH2+][C@H]2CCC[C@H]3C[C@H]32)CCC1 ZINC000378709478 346812928 /nfs/dbraw/zinc/81/29/28/346812928.db2.gz RZGSEOLBKSJMOU-MJBXVCDLSA-N 1 0 205.345 3.265 10 0 BGAERO CO[C@@H](C)C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000378713177 538973675 /nfs/dbraw/zinc/97/36/75/538973675.db2.gz VUTZMJDQHDPFNQ-RQJABVFESA-N 1 0 227.392 3.072 10 0 BGAERO CO[C@H](C)C[NH2+][C@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000378713178 538973286 /nfs/dbraw/zinc/97/32/86/538973286.db2.gz VUTZMJDQHDPFNQ-SYQHCUMBSA-N 1 0 227.392 3.072 10 0 BGAERO CO[C@@H](C)C[NH2+][C@@H]1C[C@H](C)CC[C@@H]1C(C)C ZINC000378713179 538973497 /nfs/dbraw/zinc/97/34/97/538973497.db2.gz VUTZMJDQHDPFNQ-XJFOESAGSA-N 1 0 227.392 3.072 10 0 BGAERO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000378716215 538973246 /nfs/dbraw/zinc/97/32/46/538973246.db2.gz ZREOKKFIEKRRFE-QWHCGFSZSA-N 1 0 227.392 3.096 10 0 BGAERO CC[C@@H](C)[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000378727828 346816924 /nfs/dbraw/zinc/81/69/24/346816924.db2.gz CAWFAKDBVUMLKB-KWCYVHTRSA-N 1 0 203.329 3.321 10 0 BGAERO F[C@@H]1CCCC[C@H]1[NH2+]CCc1ccccc1 ZINC000378728037 344900877 /nfs/dbraw/zinc/90/08/77/344900877.db2.gz JQBPTYDGJAQEDC-ZIAGYGMSSA-N 1 0 221.319 3.099 10 0 BGAERO CC1(C)C([NH2+][C@H]2CCC[C@H]3C[C@H]32)C1(C)C ZINC000378750697 346827095 /nfs/dbraw/zinc/82/70/95/346827095.db2.gz UPKOPLXCBGUESY-AXFHLTTASA-N 1 0 207.361 3.199 10 0 BGAERO CC(C)(C[NH2+][C@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000378751976 346827102 /nfs/dbraw/zinc/82/71/02/346827102.db2.gz VJAPONLEBKEJDV-AEJSXWLSSA-N 1 0 235.293 3.353 10 0 BGAERO CC(C)(C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)C(F)(F)F ZINC000378751977 346827192 /nfs/dbraw/zinc/82/71/92/346827192.db2.gz VJAPONLEBKEJDV-IVZWLZJFSA-N 1 0 235.293 3.353 10 0 BGAERO CC(C)C1([NH2+]Cc2ccc(CF)cc2)CC1 ZINC000378758485 712361126 /nfs/dbraw/zinc/36/11/26/712361126.db2.gz UPYVVCASJGXSIY-UHFFFAOYSA-N 1 0 221.319 3.434 10 0 BGAERO CC1(C)C[N@H+](Cc2cccc(N)c2)[C@@H]2CCC[C@@H]21 ZINC000378766166 712360240 /nfs/dbraw/zinc/36/02/40/712360240.db2.gz BLMVRCLRCMFNPB-LSDHHAIUSA-N 1 0 244.382 3.279 10 0 BGAERO Cc1cc(C)[nH+]c(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000378766985 346829295 /nfs/dbraw/zinc/82/92/95/346829295.db2.gz DEAAHNCZRWPQSU-XQQFMLRXSA-N 1 0 216.328 3.299 10 0 BGAERO Cc1cc(C)[nH+]c(N[C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000378766986 346829287 /nfs/dbraw/zinc/82/92/87/346829287.db2.gz DEAAHNCZRWPQSU-YNEHKIRRSA-N 1 0 216.328 3.299 10 0 BGAERO C[C@H]1CC[C@@H]1[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000378795057 712362169 /nfs/dbraw/zinc/36/21/69/712362169.db2.gz RWKSIUJFPWOQIE-CYUUQNCZSA-N 1 0 215.340 3.321 10 0 BGAERO C[C@@H]1CC[C@H]1[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000378795058 712362088 /nfs/dbraw/zinc/36/20/88/712362088.db2.gz RWKSIUJFPWOQIE-FAAHXZRKSA-N 1 0 215.340 3.321 10 0 BGAERO C[C@H]1CC[C@H]1[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000378795059 712361660 /nfs/dbraw/zinc/36/16/60/712361660.db2.gz RWKSIUJFPWOQIE-SPWCGHHHSA-N 1 0 215.340 3.321 10 0 BGAERO C[C@@H]1CC[C@@H]1[NH2+][C@]1(C)C[C@H]1c1ccccc1 ZINC000378795060 712361866 /nfs/dbraw/zinc/36/18/66/712361866.db2.gz RWKSIUJFPWOQIE-UQOMUDLDSA-N 1 0 215.340 3.321 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cnc(Cl)c(C)c1 ZINC000378802345 712361803 /nfs/dbraw/zinc/36/18/03/712361803.db2.gz UXEOLVBMQKDDCY-VXGBXAGGSA-N 1 0 238.762 3.322 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000378803266 538974454 /nfs/dbraw/zinc/97/44/54/538974454.db2.gz VLGXGLSPTBIFPZ-FQUUOJAGSA-N 1 0 227.392 3.094 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H](C)F ZINC000378803365 346838873 /nfs/dbraw/zinc/83/88/73/346838873.db2.gz WFYIYIRYBPIYOC-IJLUTSLNSA-N 1 0 201.329 3.293 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H](C)F ZINC000378803367 346838641 /nfs/dbraw/zinc/83/86/41/346838641.db2.gz WFYIYIRYBPIYOC-QJPTWQEYSA-N 1 0 201.329 3.293 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H](C)F ZINC000378803368 346838824 /nfs/dbraw/zinc/83/88/24/346838824.db2.gz WFYIYIRYBPIYOC-TUAOUCFPSA-N 1 0 201.329 3.293 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H](C)F ZINC000378803370 346838808 /nfs/dbraw/zinc/83/88/08/346838808.db2.gz WFYIYIRYBPIYOC-UTUOFQBUSA-N 1 0 201.329 3.293 10 0 BGAERO CC1CCC(C[NH2+]CC(C)(F)F)CC1 ZINC000378803767 387830629 /nfs/dbraw/zinc/83/06/29/387830629.db2.gz WOOIHPLTFIQWKW-UHFFFAOYSA-N 1 0 205.292 3.058 10 0 BGAERO CC(C)C1CC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000378807218 388507749 /nfs/dbraw/zinc/50/77/49/388507749.db2.gz XPRXVEMYEWJWEU-YOMYCBHVSA-N 1 0 207.361 3.199 10 0 BGAERO CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CS1 ZINC000378809444 388509337 /nfs/dbraw/zinc/50/93/37/388509337.db2.gz ZCDPGGCQHBVAAR-QNSTZXKLSA-N 1 0 239.428 3.295 10 0 BGAERO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@H]1C ZINC000378829736 712363637 /nfs/dbraw/zinc/36/36/37/712363637.db2.gz REJGWUVFIQHGIY-GBIKHYSHSA-N 1 0 207.292 3.193 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000378836367 491088287 /nfs/dbraw/zinc/08/82/87/491088287.db2.gz MMGAPCHCCSQDCE-IAQYHMDHSA-N 1 0 215.340 3.452 10 0 BGAERO FC1(C[NH2+]C[C@@H]2C[C@H]2C2CCCCC2)CC1 ZINC000378851804 346846850 /nfs/dbraw/zinc/84/68/50/346846850.db2.gz WDSRHHWKRFQTSN-STQMWFEESA-N 1 0 225.351 3.295 10 0 BGAERO CC(C)C1([NH2+]CCCc2ccsc2)CC1 ZINC000378852569 346846718 /nfs/dbraw/zinc/84/67/18/346846718.db2.gz HAHVBMZKTIYDPT-UHFFFAOYSA-N 1 0 223.385 3.459 10 0 BGAERO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1C[C@@H]1C ZINC000378861518 712363989 /nfs/dbraw/zinc/36/39/89/712363989.db2.gz REJGWUVFIQHGIY-KWBADKCTSA-N 1 0 207.292 3.193 10 0 BGAERO Cc1cc(F)ccc1[C@H](C)[NH2+][C@H]1C[C@H]1C ZINC000378861519 712363986 /nfs/dbraw/zinc/36/39/86/712363986.db2.gz REJGWUVFIQHGIY-NRUUGDAUSA-N 1 0 207.292 3.193 10 0 BGAERO Cc1cc(F)ccc1[C@H](C)[NH2+][C@@H]1C[C@@H]1C ZINC000378861520 712364123 /nfs/dbraw/zinc/36/41/23/712364123.db2.gz REJGWUVFIQHGIY-OUJBWJOFSA-N 1 0 207.292 3.193 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(F)F ZINC000378875145 371023753 /nfs/dbraw/zinc/02/37/53/371023753.db2.gz YIKUKLYOMGENNQ-NXEZZACHSA-N 1 0 205.292 3.200 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(F)F ZINC000378875146 371024268 /nfs/dbraw/zinc/02/42/68/371024268.db2.gz YIKUKLYOMGENNQ-UWVGGRQHSA-N 1 0 205.292 3.200 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(C)(F)F ZINC000378875147 371023819 /nfs/dbraw/zinc/02/38/19/371023819.db2.gz YIKUKLYOMGENNQ-VHSXEESVSA-N 1 0 205.292 3.200 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(F)F ZINC000378875148 371024494 /nfs/dbraw/zinc/02/44/94/371024494.db2.gz YIKUKLYOMGENNQ-ZJUUUORDSA-N 1 0 205.292 3.200 10 0 BGAERO c1ccc([C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378890594 346854680 /nfs/dbraw/zinc/85/46/80/346854680.db2.gz PZYQBLHXIWCZBE-CWVYHPPDSA-N 1 0 227.351 3.321 10 0 BGAERO c1ccc([C@@H]2C[C@H]2[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378890595 346855123 /nfs/dbraw/zinc/85/51/23/346855123.db2.gz PZYQBLHXIWCZBE-LYYZXLFJSA-N 1 0 227.351 3.321 10 0 BGAERO c1ccc([C@@H]2C[C@H]2[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378890596 346854683 /nfs/dbraw/zinc/85/46/83/346854683.db2.gz PZYQBLHXIWCZBE-OLMNGRFOSA-N 1 0 227.351 3.321 10 0 BGAERO c1ccc([C@@H]2C[C@@H]2[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000378890597 346854583 /nfs/dbraw/zinc/85/45/83/346854583.db2.gz PZYQBLHXIWCZBE-YXMSTPNBSA-N 1 0 227.351 3.321 10 0 BGAERO C/C(=C/c1csc(Cl)c1)[C@@H](C)[NH3+] ZINC000378990906 347194027 /nfs/dbraw/zinc/19/40/27/347194027.db2.gz CGIBEXVVMCIQBN-FXHNIGACSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C/c1csc(Cl)c1)[C@H](C)[NH3+] ZINC000378990907 347194338 /nfs/dbraw/zinc/19/43/38/347194338.db2.gz CGIBEXVVMCIQBN-NFNQMPKISA-N 1 0 201.722 3.152 10 0 BGAERO Cc1csc(C[NH2+]CCc2ccccc2)c1 ZINC000379123564 712370205 /nfs/dbraw/zinc/37/02/05/712370205.db2.gz MRGTVHGZXCIYRE-UHFFFAOYSA-N 1 0 231.364 3.389 10 0 BGAERO CC1(C)CCC([NH2+]C/C=C\Cl)CC1 ZINC000379259456 345802977 /nfs/dbraw/zinc/80/29/77/345802977.db2.gz PWCIZSVRAAEZTM-BAQGIRSFSA-N 1 0 201.741 3.297 10 0 BGAERO C/C(=C/Cl)C[NH2+]C1(C)CCCCC1 ZINC000379300321 360629922 /nfs/dbraw/zinc/62/99/22/360629922.db2.gz LTGDISWHGWPDNO-NTMALXAHSA-N 1 0 201.741 3.441 10 0 BGAERO C[NH2+][C@@H](C)/C=C\c1cc(Br)cs1 ZINC000379312011 384138144 /nfs/dbraw/zinc/13/81/44/384138144.db2.gz UPAWGEOHWDAFJU-AVALRIAPSA-N 1 0 246.173 3.132 10 0 BGAERO C[NH2+][C@H](C)/C=C\c1cc(Br)cs1 ZINC000379312012 384137451 /nfs/dbraw/zinc/13/74/51/384137451.db2.gz UPAWGEOHWDAFJU-KFOINNEUSA-N 1 0 246.173 3.132 10 0 BGAERO C/C(=C/c1cc(Br)c(C)s1)C[NH3+] ZINC000379321030 360662495 /nfs/dbraw/zinc/66/24/95/360662495.db2.gz ZLXFCESRCQZYGV-UTCJRWHESA-N 1 0 246.173 3.181 10 0 BGAERO CC(C)C1([NH2+]CCSC(F)(F)F)CC1 ZINC000379434179 712384595 /nfs/dbraw/zinc/38/45/95/712384595.db2.gz MZEACLNRQPZSFN-UHFFFAOYSA-N 1 0 227.295 3.018 10 0 BGAERO CC(C)C1([NH2+]C[C@H]2CCC(F)(F)C2)CC1 ZINC000379452538 358488633 /nfs/dbraw/zinc/48/86/33/358488633.db2.gz NIXRECZAOQKDDZ-JTQLQIEISA-N 1 0 217.303 3.200 10 0 BGAERO CC(C)C1([NH2+]C[C@@H]2CCC(F)(F)C2)CC1 ZINC000379452539 358488176 /nfs/dbraw/zinc/48/81/76/358488176.db2.gz NIXRECZAOQKDDZ-SNVBAGLBSA-N 1 0 217.303 3.200 10 0 BGAERO CC(C)C1([NH2+]CCCOCc2ccccc2)CC1 ZINC000379457840 358490286 /nfs/dbraw/zinc/49/02/86/358490286.db2.gz XCLUGOUUUUXPPB-UHFFFAOYSA-N 1 0 247.382 3.372 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000379460554 358499359 /nfs/dbraw/zinc/49/93/59/358499359.db2.gz RXJAMMAESWMTJW-GXTWGEPZSA-N 1 0 221.344 3.381 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000379460555 358499496 /nfs/dbraw/zinc/49/94/96/358499496.db2.gz RXJAMMAESWMTJW-JSGCOSHPSA-N 1 0 221.344 3.381 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCc1ccco1 ZINC000379460556 358499759 /nfs/dbraw/zinc/49/97/59/358499759.db2.gz RXJAMMAESWMTJW-OCCSQVGLSA-N 1 0 221.344 3.381 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCc1ccco1 ZINC000379460557 358499990 /nfs/dbraw/zinc/49/99/90/358499990.db2.gz RXJAMMAESWMTJW-TZMCWYRMSA-N 1 0 221.344 3.381 10 0 BGAERO CC(C)C1([NH2+]CCCCC2CCOCC2)CC1 ZINC000379461147 358500280 /nfs/dbraw/zinc/50/02/80/358500280.db2.gz YXJBPVCGCZEJCS-UHFFFAOYSA-N 1 0 239.403 3.362 10 0 BGAERO CC(C)C1([NH2+]CCCOc2ccccc2)CC1 ZINC000379461476 358500376 /nfs/dbraw/zinc/50/03/76/358500376.db2.gz DAOJCANYODBWRZ-UHFFFAOYSA-N 1 0 233.355 3.234 10 0 BGAERO CC(C)C1([NH2+]C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000379464874 358500115 /nfs/dbraw/zinc/50/01/15/358500115.db2.gz LKEPUALWYWKTTJ-CYBMUJFWSA-N 1 0 237.387 3.256 10 0 BGAERO CC(C)C1([NH2+]C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000379464880 358500360 /nfs/dbraw/zinc/50/03/60/358500360.db2.gz LKEPUALWYWKTTJ-ZDUSSCGKSA-N 1 0 237.387 3.256 10 0 BGAERO C/C(=C/c1ccc(F)cc1Cl)[C@@H](C)[NH3+] ZINC000379486341 373006562 /nfs/dbraw/zinc/00/65/62/373006562.db2.gz CCQHAVNBARIYJX-GRKOMRHMSA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C/c1ccc(F)cc1Cl)[C@H](C)[NH3+] ZINC000379486343 373007102 /nfs/dbraw/zinc/00/71/02/373007102.db2.gz CCQHAVNBARIYJX-TVSKSKRASA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C/c1cccc(Cl)c1F)[C@@H](C)[NH3+] ZINC000379503573 360991763 /nfs/dbraw/zinc/99/17/63/360991763.db2.gz OMQAMXMHVSGOFZ-NFXKFNAJSA-N 1 0 213.683 3.230 10 0 BGAERO C/C(=C/c1cccc(Cl)c1F)[C@H](C)[NH3+] ZINC000379503575 360991821 /nfs/dbraw/zinc/99/18/21/360991821.db2.gz OMQAMXMHVSGOFZ-UAPHAKCISA-N 1 0 213.683 3.230 10 0 BGAERO CCCCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000379545855 359541618 /nfs/dbraw/zinc/54/16/18/359541618.db2.gz WPBZOHQESBOLCR-NEPJUHHUSA-N 1 0 201.329 3.295 10 0 BGAERO CCCCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000379545856 359541593 /nfs/dbraw/zinc/54/15/93/359541593.db2.gz WPBZOHQESBOLCR-NWDGAFQWSA-N 1 0 201.329 3.295 10 0 BGAERO CCCCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000379545857 359541619 /nfs/dbraw/zinc/54/16/19/359541619.db2.gz WPBZOHQESBOLCR-RYUDHWBXSA-N 1 0 201.329 3.295 10 0 BGAERO CCCCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000379545858 359541633 /nfs/dbraw/zinc/54/16/33/359541633.db2.gz WPBZOHQESBOLCR-VXGBXAGGSA-N 1 0 201.329 3.295 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCSC ZINC000379574534 359548937 /nfs/dbraw/zinc/54/89/37/359548937.db2.gz JHBXIMMFHBXKDQ-NEPJUHHUSA-N 1 0 215.406 3.298 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCSC ZINC000379574535 359549060 /nfs/dbraw/zinc/54/90/60/359549060.db2.gz JHBXIMMFHBXKDQ-NWDGAFQWSA-N 1 0 215.406 3.298 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCSC ZINC000379574537 359549006 /nfs/dbraw/zinc/54/90/06/359549006.db2.gz JHBXIMMFHBXKDQ-RYUDHWBXSA-N 1 0 215.406 3.298 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCSC ZINC000379574540 359548928 /nfs/dbraw/zinc/54/89/28/359548928.db2.gz JHBXIMMFHBXKDQ-VXGBXAGGSA-N 1 0 215.406 3.298 10 0 BGAERO CC[C@H]([NH2+]CC1(SC)CC1)C(C)(C)C ZINC000379579288 359552560 /nfs/dbraw/zinc/55/25/60/359552560.db2.gz WGRPKBMNOKPNHN-JTQLQIEISA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@@H]([NH2+]CC1(SC)CC1)C(C)(C)C ZINC000379579290 359553079 /nfs/dbraw/zinc/55/30/79/359553079.db2.gz WGRPKBMNOKPNHN-SNVBAGLBSA-N 1 0 215.406 3.296 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCCF ZINC000379580939 359552826 /nfs/dbraw/zinc/55/28/26/359552826.db2.gz KAMPIUUKHKRKQH-NEPJUHHUSA-N 1 0 201.329 3.295 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCCF ZINC000379580941 359552514 /nfs/dbraw/zinc/55/25/14/359552514.db2.gz KAMPIUUKHKRKQH-NWDGAFQWSA-N 1 0 201.329 3.295 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCCF ZINC000379580944 359552504 /nfs/dbraw/zinc/55/25/04/359552504.db2.gz KAMPIUUKHKRKQH-RYUDHWBXSA-N 1 0 201.329 3.295 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCCF ZINC000379580945 359553066 /nfs/dbraw/zinc/55/30/66/359553066.db2.gz KAMPIUUKHKRKQH-VXGBXAGGSA-N 1 0 201.329 3.295 10 0 BGAERO c1ccc(CC[NH2+]CC2=CCCCC2)cc1 ZINC000379582721 712388764 /nfs/dbraw/zinc/38/87/64/712388764.db2.gz PSMBDWJGTLKPHU-UHFFFAOYSA-N 1 0 215.340 3.319 10 0 BGAERO CC[C@@H]([NH2+]C[C@H]1CCCS1)C(C)(C)C ZINC000379586777 359561309 /nfs/dbraw/zinc/56/13/09/359561309.db2.gz RKMPBSXUXGVPGK-GHMZBOCLSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCCS1)C(C)(C)C ZINC000379586779 359561383 /nfs/dbraw/zinc/56/13/83/359561383.db2.gz RKMPBSXUXGVPGK-MNOVXSKESA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCCS1)C(C)(C)C ZINC000379586780 359561037 /nfs/dbraw/zinc/56/10/37/359561037.db2.gz RKMPBSXUXGVPGK-QWRGUYRKSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1CCCS1)C(C)(C)C ZINC000379586781 359560585 /nfs/dbraw/zinc/56/05/85/359560585.db2.gz RKMPBSXUXGVPGK-WDEREUQCSA-N 1 0 215.406 3.296 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000379592098 359557125 /nfs/dbraw/zinc/55/71/25/359557125.db2.gz ZOCLAHBGQMGHNE-SNPRPXQTSA-N 1 0 249.402 3.003 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000379592099 359557332 /nfs/dbraw/zinc/55/73/32/359557332.db2.gz ZOCLAHBGQMGHNE-VHDGCEQUSA-N 1 0 249.402 3.003 10 0 BGAERO CC[C@H]([NH2+]C1CC(C(F)F)C1)C(C)C ZINC000379598566 712389872 /nfs/dbraw/zinc/38/98/72/712389872.db2.gz HREZQDWXRYYKAL-RTBKNWGFSA-N 1 0 205.292 3.054 10 0 BGAERO CC[C@@H]([NH2+]C1CC(C(F)F)C1)C(C)C ZINC000379598567 712389693 /nfs/dbraw/zinc/38/96/93/712389693.db2.gz HREZQDWXRYYKAL-UDNWOFFPSA-N 1 0 205.292 3.054 10 0 BGAERO CC[C@@H]([NH2+]C[C@H]1CCSC1)C(C)(C)C ZINC000379599106 359567983 /nfs/dbraw/zinc/56/79/83/359567983.db2.gz ITLAWPBBJZCREN-GHMZBOCLSA-N 1 0 215.406 3.154 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCSC1)C(C)(C)C ZINC000379599107 359567941 /nfs/dbraw/zinc/56/79/41/359567941.db2.gz ITLAWPBBJZCREN-MNOVXSKESA-N 1 0 215.406 3.154 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)C ZINC000379599108 359567471 /nfs/dbraw/zinc/56/74/71/359567471.db2.gz ITLAWPBBJZCREN-QWRGUYRKSA-N 1 0 215.406 3.154 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1CCSC1)C(C)(C)C ZINC000379599109 359567826 /nfs/dbraw/zinc/56/78/26/359567826.db2.gz ITLAWPBBJZCREN-WDEREUQCSA-N 1 0 215.406 3.154 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C)SC ZINC000379612517 359566960 /nfs/dbraw/zinc/56/69/60/359566960.db2.gz VUABYFIBZDUJJA-IJLUTSLNSA-N 1 0 215.406 3.296 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](C)SC ZINC000379612518 359566431 /nfs/dbraw/zinc/56/64/31/359566431.db2.gz VUABYFIBZDUJJA-QJPTWQEYSA-N 1 0 215.406 3.296 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C)SC ZINC000379612519 359566973 /nfs/dbraw/zinc/56/69/73/359566973.db2.gz VUABYFIBZDUJJA-TUAOUCFPSA-N 1 0 215.406 3.296 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C)SC ZINC000379612520 359566905 /nfs/dbraw/zinc/56/69/05/359566905.db2.gz VUABYFIBZDUJJA-UTUOFQBUSA-N 1 0 215.406 3.296 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)C1CC1 ZINC000379728740 361367672 /nfs/dbraw/zinc/36/76/72/361367672.db2.gz DQXWJCBWBRNZNY-AEGPPILISA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)C1CC1 ZINC000379728741 361367645 /nfs/dbraw/zinc/36/76/45/361367645.db2.gz DQXWJCBWBRNZNY-QEJZJMRPSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)C1CC1 ZINC000379728742 361367984 /nfs/dbraw/zinc/36/79/84/361367984.db2.gz DQXWJCBWBRNZNY-SNPRPXQTSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)C1CC1 ZINC000379728743 361367624 /nfs/dbraw/zinc/36/76/24/361367624.db2.gz DQXWJCBWBRNZNY-VHDGCEQUSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCC[C@H]1CO ZINC000379732672 397959461 /nfs/dbraw/zinc/95/94/61/397959461.db2.gz ZRNMDBKEBCYOCE-HZSPNIEDSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCC[C@@H]1CO ZINC000379732673 397959456 /nfs/dbraw/zinc/95/94/56/397959456.db2.gz ZRNMDBKEBCYOCE-MCIONIFRSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000379732674 397959382 /nfs/dbraw/zinc/95/93/82/397959382.db2.gz ZRNMDBKEBCYOCE-MGPQQGTHSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H](CCC(C)(C)C)[NH2+][C@H]1CCCC[C@H]1CO ZINC000379732675 397959422 /nfs/dbraw/zinc/95/94/22/397959422.db2.gz ZRNMDBKEBCYOCE-RDBSUJKOSA-N 1 0 241.419 3.342 10 0 BGAERO CC1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000379777377 398165580 /nfs/dbraw/zinc/16/55/80/398165580.db2.gz AORSXHQLNUVIIT-IYIPPKHMSA-N 1 0 207.361 3.343 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000379806569 488150475 /nfs/dbraw/zinc/15/04/75/488150475.db2.gz OBZODUOECRHQJS-BARDWOONSA-N 1 0 239.403 3.048 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000379806575 488150226 /nfs/dbraw/zinc/15/02/26/488150226.db2.gz OBZODUOECRHQJS-KBXIAJHMSA-N 1 0 239.403 3.048 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000379806577 488150554 /nfs/dbraw/zinc/15/05/54/488150554.db2.gz OBZODUOECRHQJS-QPSCCSFWSA-N 1 0 239.403 3.048 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000379806583 488151005 /nfs/dbraw/zinc/15/10/05/488151005.db2.gz OBZODUOECRHQJS-TUVASFSCSA-N 1 0 239.403 3.048 10 0 BGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000379848998 488153645 /nfs/dbraw/zinc/15/36/45/488153645.db2.gz DKEVWIWYFZLRLD-KFWWJZLASA-N 1 0 239.403 3.192 10 0 BGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000379849040 488153266 /nfs/dbraw/zinc/15/32/66/488153266.db2.gz DKEVWIWYFZLRLD-RBSFLKMASA-N 1 0 239.403 3.192 10 0 BGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000379849041 488153233 /nfs/dbraw/zinc/15/32/33/488153233.db2.gz DKEVWIWYFZLRLD-RRFJBIMHSA-N 1 0 239.403 3.192 10 0 BGAERO CC[C@@H]1CCCCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000379849042 488153750 /nfs/dbraw/zinc/15/37/50/488153750.db2.gz DKEVWIWYFZLRLD-ZNMIVQPWSA-N 1 0 239.403 3.192 10 0 BGAERO CC[C@@H]([NH2+]CCc1cscn1)C(C)(C)C ZINC000379921718 365735321 /nfs/dbraw/zinc/73/53/21/365735321.db2.gz IBZBNRHRJIWBPL-LLVKDONJSA-N 1 0 226.389 3.100 10 0 BGAERO CC[C@H]([NH2+]CCc1cscn1)C(C)(C)C ZINC000379921720 365735817 /nfs/dbraw/zinc/73/58/17/365735817.db2.gz IBZBNRHRJIWBPL-NSHDSACASA-N 1 0 226.389 3.100 10 0 BGAERO CCC[C@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000379975328 712643203 /nfs/dbraw/zinc/64/32/03/712643203.db2.gz DCEZZNDZDFYJJG-GWCFXTLKSA-N 1 0 206.333 3.170 10 0 BGAERO CCC[C@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000379975329 712643162 /nfs/dbraw/zinc/64/31/62/712643162.db2.gz DCEZZNDZDFYJJG-GXFFZTMASA-N 1 0 206.333 3.170 10 0 BGAERO CCC[C@@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000379975330 712643192 /nfs/dbraw/zinc/64/31/92/712643192.db2.gz DCEZZNDZDFYJJG-MFKMUULPSA-N 1 0 206.333 3.170 10 0 BGAERO CCC[C@@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000379975599 712643396 /nfs/dbraw/zinc/64/33/96/712643396.db2.gz DCEZZNDZDFYJJG-ZWNOBZJWSA-N 1 0 206.333 3.170 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]CCC1CCC1 ZINC000379978790 712643498 /nfs/dbraw/zinc/64/34/98/712643498.db2.gz GFWDTUNGEHHTEM-CHWSQXEVSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]CCC1CCC1 ZINC000379978793 712643700 /nfs/dbraw/zinc/64/37/00/712643700.db2.gz GFWDTUNGEHHTEM-OLZOCXBDSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]CCC1CCC1 ZINC000379978797 712643565 /nfs/dbraw/zinc/64/35/65/712643565.db2.gz GFWDTUNGEHHTEM-QWHCGFSZSA-N 1 0 213.340 3.295 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]CCC1CCC1 ZINC000379978799 712643707 /nfs/dbraw/zinc/64/37/07/712643707.db2.gz GFWDTUNGEHHTEM-STQMWFEESA-N 1 0 213.340 3.295 10 0 BGAERO CC1CCC([N@H+](C)C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000380006087 398180542 /nfs/dbraw/zinc/18/05/42/398180542.db2.gz ZHCQYYXODODXEE-HXSCFSKGSA-N 1 0 239.403 3.048 10 0 BGAERO CC1CCC([N@H+](C)C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000380006088 398180755 /nfs/dbraw/zinc/18/07/55/398180755.db2.gz ZHCQYYXODODXEE-JYVUQVBGSA-N 1 0 239.403 3.048 10 0 BGAERO CC1CCC([N@H+](C)C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000380006089 398180639 /nfs/dbraw/zinc/18/06/39/398180639.db2.gz ZHCQYYXODODXEE-OOJKYFRXSA-N 1 0 239.403 3.048 10 0 BGAERO CC1CCC([N@H+](C)C[C@H]2CCC[C@H](O)C2)CC1 ZINC000380006099 398180453 /nfs/dbraw/zinc/18/04/53/398180453.db2.gz ZHCQYYXODODXEE-SHWKFHJASA-N 1 0 239.403 3.048 10 0 BGAERO CC[C@@H]([NH2+]CCC(C)(C)OC)C(C)(C)C ZINC000380013025 365805161 /nfs/dbraw/zinc/80/51/61/365805161.db2.gz SHCAYJZAAWJOLK-LLVKDONJSA-N 1 0 215.381 3.216 10 0 BGAERO CC[C@H]([NH2+]CCC(C)(C)OC)C(C)(C)C ZINC000380013030 365804546 /nfs/dbraw/zinc/80/45/46/365804546.db2.gz SHCAYJZAAWJOLK-NSHDSACASA-N 1 0 215.381 3.216 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000380037989 365817128 /nfs/dbraw/zinc/81/71/28/365817128.db2.gz SQIBTJWXGCKYAU-PELKAZGASA-N 1 0 227.710 3.020 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000380037992 365817505 /nfs/dbraw/zinc/81/75/05/365817505.db2.gz SQIBTJWXGCKYAU-PRHODGIISA-N 1 0 227.710 3.020 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000380037993 365818065 /nfs/dbraw/zinc/81/80/65/365818065.db2.gz SQIBTJWXGCKYAU-QPUJVOFHSA-N 1 0 227.710 3.020 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]CCc1ccc(F)cc1Cl ZINC000380037998 342982732 /nfs/dbraw/zinc/98/27/32/342982732.db2.gz SQIBTJWXGCKYAU-UFBFGSQYSA-N 1 0 227.710 3.020 10 0 BGAERO CCCCC[N@H+](C[C@@H]1CCC[C@H](O)C1)C(C)C ZINC000380060410 398183631 /nfs/dbraw/zinc/18/36/31/398183631.db2.gz OHXOKVCMRZDMLB-CABCVRRESA-N 1 0 241.419 3.438 10 0 BGAERO CCCCC[N@H+](C[C@H]1CCC[C@H](O)C1)C(C)C ZINC000380060411 398183096 /nfs/dbraw/zinc/18/30/96/398183096.db2.gz OHXOKVCMRZDMLB-GJZGRUSLSA-N 1 0 241.419 3.438 10 0 BGAERO CCCCC[N@H+](C[C@@H]1CCC[C@@H](O)C1)C(C)C ZINC000380060414 398183338 /nfs/dbraw/zinc/18/33/38/398183338.db2.gz OHXOKVCMRZDMLB-HUUCEWRRSA-N 1 0 241.419 3.438 10 0 BGAERO CCCCC[N@H+](C[C@H]1CCC[C@@H](O)C1)C(C)C ZINC000380060415 397976576 /nfs/dbraw/zinc/97/65/76/397976576.db2.gz OHXOKVCMRZDMLB-LSDHHAIUSA-N 1 0 241.419 3.438 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(F)ccc1OC ZINC000380093776 365875330 /nfs/dbraw/zinc/87/53/30/365875330.db2.gz HHKOBYZTGPINDV-GWCFXTLKSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1OC ZINC000380093779 365875688 /nfs/dbraw/zinc/87/56/88/365875688.db2.gz HHKOBYZTGPINDV-GXFFZTMASA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(F)ccc1OC ZINC000380093780 365875277 /nfs/dbraw/zinc/87/52/77/365875277.db2.gz HHKOBYZTGPINDV-MFKMUULPSA-N 1 0 237.318 3.113 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(F)ccc1OC ZINC000380093781 365875598 /nfs/dbraw/zinc/87/55/98/365875598.db2.gz HHKOBYZTGPINDV-ZWNOBZJWSA-N 1 0 237.318 3.113 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC2(Cl)Cl)o1 ZINC000380112404 712687640 /nfs/dbraw/zinc/68/76/40/712687640.db2.gz OONKEBAVEAWZFM-BDAKNGLRSA-N 1 0 248.153 3.432 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@H]2CC2(Cl)Cl)o1 ZINC000380112421 712687306 /nfs/dbraw/zinc/68/73/06/712687306.db2.gz OONKEBAVEAWZFM-DTWKUNHWSA-N 1 0 248.153 3.432 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC2(Cl)Cl)o1 ZINC000380112424 712687400 /nfs/dbraw/zinc/68/74/00/712687400.db2.gz OONKEBAVEAWZFM-IUCAKERBSA-N 1 0 248.153 3.432 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC2(Cl)Cl)o1 ZINC000380112428 712687475 /nfs/dbraw/zinc/68/74/75/712687475.db2.gz OONKEBAVEAWZFM-RKDXNWHRSA-N 1 0 248.153 3.432 10 0 BGAERO Cc1cc(C[NH2+][C@@H](C)C(C)C)cc(Cl)n1 ZINC000380159567 712702600 /nfs/dbraw/zinc/70/26/00/712702600.db2.gz BDALCDKRUYMRFJ-JTQLQIEISA-N 1 0 226.751 3.178 10 0 BGAERO Cc1cc(C[NH2+][C@H](C)C(C)C)cc(Cl)n1 ZINC000380159569 712702576 /nfs/dbraw/zinc/70/25/76/712702576.db2.gz BDALCDKRUYMRFJ-SNVBAGLBSA-N 1 0 226.751 3.178 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000380162429 346271499 /nfs/dbraw/zinc/27/14/99/346271499.db2.gz BQUOYUDHAHJBCJ-POYBYMJQSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000380162432 346271334 /nfs/dbraw/zinc/27/13/34/346271334.db2.gz BQUOYUDHAHJBCJ-SVRRBLITSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000380162459 346279473 /nfs/dbraw/zinc/27/94/73/346279473.db2.gz BQUOYUDHAHJBCJ-XPUUQOCRSA-N 1 0 235.274 3.265 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000380167944 712705253 /nfs/dbraw/zinc/70/52/53/712705253.db2.gz CTRFHVPHBVFJJP-GWCFXTLKSA-N 1 0 206.333 3.026 10 0 BGAERO CC(C)[C@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000380167947 712705187 /nfs/dbraw/zinc/70/51/87/712705187.db2.gz CTRFHVPHBVFJJP-GXFFZTMASA-N 1 0 206.333 3.026 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000380167952 712705157 /nfs/dbraw/zinc/70/51/57/712705157.db2.gz CTRFHVPHBVFJJP-MFKMUULPSA-N 1 0 206.333 3.026 10 0 BGAERO CC(C)[C@@H](C)[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000380167955 711679482 /nfs/dbraw/zinc/67/94/82/711679482.db2.gz CTRFHVPHBVFJJP-ZWNOBZJWSA-N 1 0 206.333 3.026 10 0 BGAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000380169631 490129690 /nfs/dbraw/zinc/12/96/90/490129690.db2.gz MQGRSEBDLMCIRU-CHWSQXEVSA-N 1 0 241.419 3.342 10 0 BGAERO CC(C)(C)CC(C)(C)[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000380169633 490128818 /nfs/dbraw/zinc/12/88/18/490128818.db2.gz MQGRSEBDLMCIRU-OLZOCXBDSA-N 1 0 241.419 3.342 10 0 BGAERO CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000380169635 490129008 /nfs/dbraw/zinc/12/90/08/490129008.db2.gz MQGRSEBDLMCIRU-QWHCGFSZSA-N 1 0 241.419 3.342 10 0 BGAERO CC(C)(C)CC(C)(C)[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000380169637 490129546 /nfs/dbraw/zinc/12/95/46/490129546.db2.gz MQGRSEBDLMCIRU-STQMWFEESA-N 1 0 241.419 3.342 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000380170053 367149051 /nfs/dbraw/zinc/14/90/51/367149051.db2.gz GTEDFJKFABCSIB-AGIUHOORSA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000380170057 367149659 /nfs/dbraw/zinc/14/96/59/367149659.db2.gz GTEDFJKFABCSIB-FRRDWIJNSA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC12CCCC2 ZINC000380170060 367149953 /nfs/dbraw/zinc/14/99/53/367149953.db2.gz GTEDFJKFABCSIB-JHJVBQTASA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC12CCCC2 ZINC000380170061 367149256 /nfs/dbraw/zinc/14/92/56/367149256.db2.gz GTEDFJKFABCSIB-UPJWGTAASA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CS[C@@H](C(C)C)C1 ZINC000380174029 360625761 /nfs/dbraw/zinc/62/57/61/360625761.db2.gz IUWOQLRMQIUFHD-FVCCEPFGSA-N 1 0 227.417 3.295 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CS[C@@H](C(C)C)C1 ZINC000380174034 360722073 /nfs/dbraw/zinc/72/20/73/360722073.db2.gz IUWOQLRMQIUFHD-MROQNXINSA-N 1 0 227.417 3.295 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CS[C@H](C(C)C)C1 ZINC000380174047 360761693 /nfs/dbraw/zinc/76/16/93/360761693.db2.gz IUWOQLRMQIUFHD-NDBYEHHHSA-N 1 0 227.417 3.295 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CS[C@H](C(C)C)C1 ZINC000380174049 360761458 /nfs/dbraw/zinc/76/14/58/360761458.db2.gz IUWOQLRMQIUFHD-VOAKCMCISA-N 1 0 227.417 3.295 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000380186005 346355536 /nfs/dbraw/zinc/35/55/36/346355536.db2.gz NICIFZDNFWKBEA-AAEUAGOBSA-N 1 0 213.340 3.437 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]C1CCCCC1 ZINC000380186006 346355252 /nfs/dbraw/zinc/35/52/52/346355252.db2.gz NICIFZDNFWKBEA-DGCLKSJQSA-N 1 0 213.340 3.437 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]C1CCCCC1 ZINC000380186007 346355530 /nfs/dbraw/zinc/35/55/30/346355530.db2.gz NICIFZDNFWKBEA-WCQYABFASA-N 1 0 213.340 3.437 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]C1CCCCC1 ZINC000380186013 346354822 /nfs/dbraw/zinc/35/48/22/346354822.db2.gz NICIFZDNFWKBEA-YPMHNXCESA-N 1 0 213.340 3.437 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(SC)CC1 ZINC000380188495 346499691 /nfs/dbraw/zinc/49/96/91/346499691.db2.gz OBHXTJGBDOSQSU-NEPJUHHUSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(SC)CC1 ZINC000380188499 346499685 /nfs/dbraw/zinc/49/96/85/346499685.db2.gz OBHXTJGBDOSQSU-NWDGAFQWSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(SC)CC1 ZINC000380188501 346499693 /nfs/dbraw/zinc/49/96/93/346499693.db2.gz OBHXTJGBDOSQSU-RYUDHWBXSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(SC)CC1 ZINC000380188506 346499670 /nfs/dbraw/zinc/49/96/70/346499670.db2.gz OBHXTJGBDOSQSU-VXGBXAGGSA-N 1 0 227.417 3.440 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCF ZINC000380192871 346538600 /nfs/dbraw/zinc/53/86/00/346538600.db2.gz PRWZMZHJYWKTIN-LOWDOPEQSA-N 1 0 213.340 3.293 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000380192872 346538573 /nfs/dbraw/zinc/53/85/73/346538573.db2.gz PRWZMZHJYWKTIN-LPWJVIDDSA-N 1 0 213.340 3.293 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCF ZINC000380192874 346538598 /nfs/dbraw/zinc/53/85/98/346538598.db2.gz PRWZMZHJYWKTIN-NDBYEHHHSA-N 1 0 213.340 3.293 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H]1CCF ZINC000380192876 487614556 /nfs/dbraw/zinc/61/45/56/487614556.db2.gz PRWZMZHJYWKTIN-RNJOBUHISA-N 1 0 213.340 3.293 10 0 BGAERO Clc1sccc1C[NH2+]CC[C@@H]1CCCO1 ZINC000380194097 538987054 /nfs/dbraw/zinc/98/70/54/538987054.db2.gz QJPVSENAEWEJNY-JTQLQIEISA-N 1 0 245.775 3.060 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)C1CCSCC1 ZINC000380197089 346597502 /nfs/dbraw/zinc/59/75/02/346597502.db2.gz RGMPIMUPAHGMCK-CYZMBNFOSA-N 1 0 227.417 3.296 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)C1CCSCC1 ZINC000380197091 346597601 /nfs/dbraw/zinc/59/76/01/346597601.db2.gz RGMPIMUPAHGMCK-RAIGVLPGSA-N 1 0 227.417 3.296 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)C1CCSCC1 ZINC000380197107 346596510 /nfs/dbraw/zinc/59/65/10/346596510.db2.gz RGMPIMUPAHGMCK-RTXFEEFZSA-N 1 0 227.417 3.296 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)C1CCSCC1 ZINC000380197112 346596480 /nfs/dbraw/zinc/59/64/80/346596480.db2.gz RGMPIMUPAHGMCK-UHTWSYAYSA-N 1 0 227.417 3.296 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000380211763 347121187 /nfs/dbraw/zinc/12/11/87/347121187.db2.gz ZGEOEUPETAQVKX-MBJXGIAVSA-N 1 0 207.361 3.343 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000380211765 344719369 /nfs/dbraw/zinc/71/93/69/344719369.db2.gz ZGEOEUPETAQVKX-RGDJUOJXSA-N 1 0 207.361 3.343 10 0 BGAERO CSC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000380246812 712846110 /nfs/dbraw/zinc/84/61/10/712846110.db2.gz OJYRBBAEUBEOCA-GHMZBOCLSA-N 1 0 233.396 3.246 10 0 BGAERO CSC(C)(C)C[NH2+][C@H]1CCC[C@@H]1CCF ZINC000380246818 712846096 /nfs/dbraw/zinc/84/60/96/712846096.db2.gz OJYRBBAEUBEOCA-MNOVXSKESA-N 1 0 233.396 3.246 10 0 BGAERO CSC(C)(C)C[NH2+][C@H]1CCC[C@H]1CCF ZINC000380246820 712846190 /nfs/dbraw/zinc/84/61/90/712846190.db2.gz OJYRBBAEUBEOCA-QWRGUYRKSA-N 1 0 233.396 3.246 10 0 BGAERO CSC(C)(C)C[NH2+][C@@H]1CCC[C@H]1CCF ZINC000380246823 712846162 /nfs/dbraw/zinc/84/61/62/712846162.db2.gz OJYRBBAEUBEOCA-WDEREUQCSA-N 1 0 233.396 3.246 10 0 BGAERO CSCc1ccc(C[NH2+]C2CCC2)cc1 ZINC000380262546 566448171 /nfs/dbraw/zinc/44/81/71/566448171.db2.gz SCSYIIJOIGHRHV-UHFFFAOYSA-N 1 0 221.369 3.192 10 0 BGAERO CCOC(C)(C)C[NH2+][C@H](CC)C(C)(C)C ZINC000380297130 367174584 /nfs/dbraw/zinc/17/45/84/367174584.db2.gz CXBQJTQEORYTMH-LLVKDONJSA-N 1 0 215.381 3.216 10 0 BGAERO CCOC(C)(C)C[NH2+][C@@H](CC)C(C)(C)C ZINC000380297134 367173741 /nfs/dbraw/zinc/17/37/41/367173741.db2.gz CXBQJTQEORYTMH-NSHDSACASA-N 1 0 215.381 3.216 10 0 BGAERO CCOCCCC[NH2+][C@H](CC)C(C)(C)C ZINC000380317874 367176060 /nfs/dbraw/zinc/17/60/60/367176060.db2.gz JJXRDMXJKAWRIF-GFCCVEGCSA-N 1 0 215.381 3.217 10 0 BGAERO CCOCCCC[NH2+][C@@H](CC)C(C)(C)C ZINC000380317877 367176399 /nfs/dbraw/zinc/17/63/99/367176399.db2.gz JJXRDMXJKAWRIF-LBPRGKRZSA-N 1 0 215.381 3.217 10 0 BGAERO FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C/C=C\Cl ZINC000380318335 712883350 /nfs/dbraw/zinc/88/33/50/712883350.db2.gz JPZCDCNCYLVHMH-JQUXWSAYSA-N 1 0 241.684 3.450 10 0 BGAERO C[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1C(F)(F)F ZINC000380691848 712902483 /nfs/dbraw/zinc/90/24/83/712902483.db2.gz IWPYRLMABDXDRA-VPOLOUISSA-N 1 0 235.293 3.496 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CC2(C)CCCC2)o1 ZINC000380771215 712903052 /nfs/dbraw/zinc/90/30/52/712903052.db2.gz YWHNQWFKKOQWFA-LLVKDONJSA-N 1 0 222.332 3.214 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CC2(C)CCCC2)o1 ZINC000380771218 712903103 /nfs/dbraw/zinc/90/31/03/712903103.db2.gz YWHNQWFKKOQWFA-NSHDSACASA-N 1 0 222.332 3.214 10 0 BGAERO C[C@H](CCCC[NH3+])Nc1nccc2ccccc21 ZINC000381027203 373762915 /nfs/dbraw/zinc/76/29/15/373762915.db2.gz RDUDNNRNIOGKQR-GFCCVEGCSA-N 1 0 243.354 3.164 10 0 BGAERO C[C@@H](CCCC[NH3+])Nc1nccc2ccccc21 ZINC000381027205 373762734 /nfs/dbraw/zinc/76/27/34/373762734.db2.gz RDUDNNRNIOGKQR-LBPRGKRZSA-N 1 0 243.354 3.164 10 0 BGAERO C[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000381032332 710597587 /nfs/dbraw/zinc/59/75/87/710597587.db2.gz AOFCVHQKSBDSLS-MPKXVKKWSA-N 1 0 218.344 3.170 10 0 BGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000381032338 710596932 /nfs/dbraw/zinc/59/69/32/710596932.db2.gz AOFCVHQKSBDSLS-OSMZGAPFSA-N 1 0 218.344 3.170 10 0 BGAERO C[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCc2[nH]ccc21 ZINC000381032346 710597265 /nfs/dbraw/zinc/59/72/65/710597265.db2.gz AOFCVHQKSBDSLS-QKCSRTOESA-N 1 0 218.344 3.170 10 0 BGAERO C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCc2[nH]ccc21 ZINC000381032348 710597345 /nfs/dbraw/zinc/59/73/45/710597345.db2.gz AOFCVHQKSBDSLS-SCDSUCTJSA-N 1 0 218.344 3.170 10 0 BGAERO c1ccc2c(c1)CC[C@H]2[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000381127023 487498912 /nfs/dbraw/zinc/49/89/12/487498912.db2.gz JQLBFXLPKJYVAC-BARDWOONSA-N 1 0 213.324 3.062 10 0 BGAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000381127026 487498293 /nfs/dbraw/zinc/49/82/93/487498293.db2.gz JQLBFXLPKJYVAC-LJISPDSOSA-N 1 0 213.324 3.062 10 0 BGAERO CC1(C[NH2+][C@@H]2C[C@H]2c2ccccc2F)CC1 ZINC000381198672 367362578 /nfs/dbraw/zinc/36/25/78/367362578.db2.gz DZZXMRIWNSPKAJ-WCQYABFASA-N 1 0 219.303 3.071 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cs1 ZINC000381276034 398249683 /nfs/dbraw/zinc/24/96/83/398249683.db2.gz JIPMWOVCUQWZMC-YNEHKIRRSA-N 1 0 221.369 3.335 10 0 BGAERO CC(C)CSCC[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000381287786 367374709 /nfs/dbraw/zinc/37/47/09/367374709.db2.gz ZYKVDKPFRJNBPY-CHWSQXEVSA-N 1 0 247.423 3.494 10 0 BGAERO CC(C)CSCC[NH2+][C@H]1CCC[C@@H]1CCF ZINC000381287787 367375024 /nfs/dbraw/zinc/37/50/24/367375024.db2.gz ZYKVDKPFRJNBPY-OLZOCXBDSA-N 1 0 247.423 3.494 10 0 BGAERO CC(C)CSCC[NH2+][C@@H]1CCC[C@H]1CCF ZINC000381287788 367374761 /nfs/dbraw/zinc/37/47/61/367374761.db2.gz ZYKVDKPFRJNBPY-QWHCGFSZSA-N 1 0 247.423 3.494 10 0 BGAERO CC(C)CSCC[NH2+][C@H]1CCC[C@H]1CCF ZINC000381287789 367374562 /nfs/dbraw/zinc/37/45/62/367374562.db2.gz ZYKVDKPFRJNBPY-STQMWFEESA-N 1 0 247.423 3.494 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(O)(CC)CC ZINC000381293399 367375961 /nfs/dbraw/zinc/37/59/61/367375961.db2.gz FHOYANAWNXXDJD-CHWSQXEVSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(O)(CC)CC ZINC000381293400 367376355 /nfs/dbraw/zinc/37/63/55/367376355.db2.gz FHOYANAWNXXDJD-OLZOCXBDSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(O)(CC)CC ZINC000381293401 367376014 /nfs/dbraw/zinc/37/60/14/367376014.db2.gz FHOYANAWNXXDJD-QWHCGFSZSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(O)(CC)CC ZINC000381293402 367375934 /nfs/dbraw/zinc/37/59/34/367375934.db2.gz FHOYANAWNXXDJD-STQMWFEESA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@](C)(O)CCC ZINC000381294322 345256969 /nfs/dbraw/zinc/25/69/69/345256969.db2.gz FSVZAZCJLRDHAN-HZSPNIEDSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@](C)(O)CCC ZINC000381294324 345257437 /nfs/dbraw/zinc/25/74/37/345257437.db2.gz FSVZAZCJLRDHAN-MCIONIFRSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@](C)(O)CCC ZINC000381294328 345257364 /nfs/dbraw/zinc/25/73/64/345257364.db2.gz FSVZAZCJLRDHAN-MGPQQGTHSA-N 1 0 227.392 3.096 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@](C)(O)CCC ZINC000381294329 345257150 /nfs/dbraw/zinc/25/71/50/345257150.db2.gz FSVZAZCJLRDHAN-RDBSUJKOSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@@H]([NH3+])[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000381337332 356491080 /nfs/dbraw/zinc/49/10/80/356491080.db2.gz DHLZFJIRNKLENO-BDAKNGLRSA-N 1 0 249.745 3.036 10 0 BGAERO C[C@@H](Nc1ccnc2cc(Cl)ccc21)[C@H](C)[NH3+] ZINC000381337561 345386770 /nfs/dbraw/zinc/38/67/70/345386770.db2.gz DHLZFJIRNKLENO-DTWKUNHWSA-N 1 0 249.745 3.036 10 0 BGAERO C[C@H]([NH3+])[C@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000381337562 345386471 /nfs/dbraw/zinc/38/64/71/345386471.db2.gz DHLZFJIRNKLENO-IUCAKERBSA-N 1 0 249.745 3.036 10 0 BGAERO C[C@@H]([NH3+])[C@@H](C)Nc1ccnc2cc(Cl)ccc21 ZINC000381337563 345386708 /nfs/dbraw/zinc/38/67/08/345386708.db2.gz DHLZFJIRNKLENO-RKDXNWHRSA-N 1 0 249.745 3.036 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC1(OC)CCC1 ZINC000381345129 356666974 /nfs/dbraw/zinc/66/69/74/356666974.db2.gz YTNKNWYZYSOYKZ-CHWSQXEVSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC1(OC)CCC1 ZINC000381345130 367384108 /nfs/dbraw/zinc/38/41/08/367384108.db2.gz YTNKNWYZYSOYKZ-OLZOCXBDSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CC1(OC)CCC1 ZINC000381345131 367384090 /nfs/dbraw/zinc/38/40/90/367384090.db2.gz YTNKNWYZYSOYKZ-QWHCGFSZSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC1(OC)CCC1 ZINC000381345133 367384248 /nfs/dbraw/zinc/38/42/48/367384248.db2.gz YTNKNWYZYSOYKZ-STQMWFEESA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000381350056 345438620 /nfs/dbraw/zinc/43/86/20/345438620.db2.gz BLIXTDILSUFJKI-NXEZZACHSA-N 1 0 239.281 3.081 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000381350057 345438624 /nfs/dbraw/zinc/43/86/24/345438624.db2.gz BLIXTDILSUFJKI-UWVGGRQHSA-N 1 0 239.281 3.081 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCOC(F)(F)F ZINC000381350061 345438614 /nfs/dbraw/zinc/43/86/14/345438614.db2.gz BLIXTDILSUFJKI-VHSXEESVSA-N 1 0 239.281 3.081 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCOC(F)(F)F ZINC000381350063 345438427 /nfs/dbraw/zinc/43/84/27/345438427.db2.gz BLIXTDILSUFJKI-ZJUUUORDSA-N 1 0 239.281 3.081 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCOC(C)C ZINC000381371748 345615488 /nfs/dbraw/zinc/61/54/88/345615488.db2.gz INSULXUEMHNZEP-KBPBESRZSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCOC(C)C ZINC000381371749 345615614 /nfs/dbraw/zinc/61/56/14/345615614.db2.gz INSULXUEMHNZEP-KGLIPLIRSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCOC(C)C ZINC000381371750 345615312 /nfs/dbraw/zinc/61/53/12/345615312.db2.gz INSULXUEMHNZEP-UONOGXRCSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCOC(C)C ZINC000381371756 367389312 /nfs/dbraw/zinc/38/93/12/367389312.db2.gz INSULXUEMHNZEP-ZIAGYGMSSA-N 1 0 227.392 3.360 10 0 BGAERO Cc1cc(C[NH2+]Cc2ccc(C)cn2)cs1 ZINC000381373530 398254597 /nfs/dbraw/zinc/25/45/97/398254597.db2.gz JRHBNKQSBZSCBT-UHFFFAOYSA-N 1 0 232.352 3.050 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)CN(CC)CC)C(C)(C)C ZINC000381382291 538999798 /nfs/dbraw/zinc/99/97/98/538999798.db2.gz LPISRHJJXKUGFF-CHWSQXEVSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@H]([NH2+][C@H](C)CN(CC)CC)C(C)(C)C ZINC000381382292 538999722 /nfs/dbraw/zinc/99/97/22/538999722.db2.gz LPISRHJJXKUGFF-OLZOCXBDSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)CN(CC)CC)C(C)(C)C ZINC000381382293 538999624 /nfs/dbraw/zinc/99/96/24/538999624.db2.gz LPISRHJJXKUGFF-QWHCGFSZSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)CN(CC)CC)C(C)(C)C ZINC000381382294 538999862 /nfs/dbraw/zinc/99/98/62/538999862.db2.gz LPISRHJJXKUGFF-STQMWFEESA-N 1 0 228.424 3.131 10 0 BGAERO CCCCOCC[NH2+][C@H]1CCC[C@@H]1CCC ZINC000381386173 367391909 /nfs/dbraw/zinc/39/19/09/367391909.db2.gz MSXKJHIGTFHIDP-KBPBESRZSA-N 1 0 227.392 3.362 10 0 BGAERO CCCCOCC[NH2+][C@H]1CCC[C@H]1CCC ZINC000381386179 367391283 /nfs/dbraw/zinc/39/12/83/367391283.db2.gz MSXKJHIGTFHIDP-KGLIPLIRSA-N 1 0 227.392 3.362 10 0 BGAERO CCCCOCC[NH2+][C@@H]1CCC[C@@H]1CCC ZINC000381386185 367391884 /nfs/dbraw/zinc/39/18/84/367391884.db2.gz MSXKJHIGTFHIDP-UONOGXRCSA-N 1 0 227.392 3.362 10 0 BGAERO CCCCOCC[NH2+][C@@H]1CCC[C@H]1CCC ZINC000381386190 367391398 /nfs/dbraw/zinc/39/13/98/367391398.db2.gz MSXKJHIGTFHIDP-ZIAGYGMSSA-N 1 0 227.392 3.362 10 0 BGAERO CCCC[C@H](C)[C@@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000381391014 345793291 /nfs/dbraw/zinc/79/32/91/345793291.db2.gz OEYLVXCMMRCBIQ-BFHYXJOUSA-N 1 0 229.408 3.198 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@H](CO)CC(C)C ZINC000381391015 345793543 /nfs/dbraw/zinc/79/35/43/345793543.db2.gz OEYLVXCMMRCBIQ-IHRRRGAJSA-N 1 0 229.408 3.198 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H](CO)CC(C)C ZINC000381391016 345793172 /nfs/dbraw/zinc/79/31/72/345793172.db2.gz OEYLVXCMMRCBIQ-MELADBBJSA-N 1 0 229.408 3.198 10 0 BGAERO CCCC[C@H](C)[C@@H](C)[NH2+][C@H](CO)CC(C)C ZINC000381391018 345793562 /nfs/dbraw/zinc/79/35/62/345793562.db2.gz OEYLVXCMMRCBIQ-MJBXVCDLSA-N 1 0 229.408 3.198 10 0 BGAERO CCC[C@H](CC)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000381398567 367393944 /nfs/dbraw/zinc/39/39/44/367393944.db2.gz QGFBNNGBIXIOIH-BZPMIXESSA-N 1 0 227.392 3.358 10 0 BGAERO CCC[C@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000381398568 345801509 /nfs/dbraw/zinc/80/15/09/345801509.db2.gz QGFBNNGBIXIOIH-CRWXNKLISA-N 1 0 227.392 3.358 10 0 BGAERO CCC[C@H](CC)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000381398573 345801430 /nfs/dbraw/zinc/80/14/30/345801430.db2.gz QGFBNNGBIXIOIH-OBJOEFQTSA-N 1 0 227.392 3.358 10 0 BGAERO CCC[C@@H](CC)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000381398575 345801619 /nfs/dbraw/zinc/80/16/19/345801619.db2.gz QGFBNNGBIXIOIH-XJFOESAGSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH2+]Cc1ncccc1F)C(C)(C)C ZINC000381417026 344504852 /nfs/dbraw/zinc/50/48/52/344504852.db2.gz WKNXYZFHJHVYSR-GFCCVEGCSA-N 1 0 224.323 3.135 10 0 BGAERO CC[C@H]([NH2+]Cc1ncccc1F)C(C)(C)C ZINC000381417035 344504981 /nfs/dbraw/zinc/50/49/81/344504981.db2.gz WKNXYZFHJHVYSR-LBPRGKRZSA-N 1 0 224.323 3.135 10 0 BGAERO CC[C@@H]([NH2+]CCc1nc(C)cs1)C(C)(C)C ZINC000381420841 539000325 /nfs/dbraw/zinc/00/03/25/539000325.db2.gz XIXKHQYAEKJIQR-LLVKDONJSA-N 1 0 240.416 3.408 10 0 BGAERO CC[C@H]([NH2+]CCc1nc(C)cs1)C(C)(C)C ZINC000381420844 538467733 /nfs/dbraw/zinc/46/77/33/538467733.db2.gz XIXKHQYAEKJIQR-NSHDSACASA-N 1 0 240.416 3.408 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H](C)N(CC)CC)C(C)(C)C ZINC000381421779 367400235 /nfs/dbraw/zinc/40/02/35/367400235.db2.gz XMWACLDUMCHVAF-CHWSQXEVSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@H]([NH2+]C[C@@H](C)N(CC)CC)C(C)(C)C ZINC000381421783 367400575 /nfs/dbraw/zinc/40/05/75/367400575.db2.gz XMWACLDUMCHVAF-OLZOCXBDSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)C(C)(C)C ZINC000381423608 367400352 /nfs/dbraw/zinc/40/03/52/367400352.db2.gz YBYAZXBJYBNKPM-NEPJUHHUSA-N 1 0 229.408 3.462 10 0 BGAERO CC[C@H]([NH2+]C[C@@H](OC)C(C)(C)C)C(C)(C)C ZINC000381423610 367400616 /nfs/dbraw/zinc/40/06/16/367400616.db2.gz YBYAZXBJYBNKPM-NWDGAFQWSA-N 1 0 229.408 3.462 10 0 BGAERO CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)C(C)(C)C ZINC000381423613 367400505 /nfs/dbraw/zinc/40/05/05/367400505.db2.gz YBYAZXBJYBNKPM-RYUDHWBXSA-N 1 0 229.408 3.462 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H](OC)C(C)(C)C)C(C)(C)C ZINC000381423614 367400191 /nfs/dbraw/zinc/40/01/91/367400191.db2.gz YBYAZXBJYBNKPM-VXGBXAGGSA-N 1 0 229.408 3.462 10 0 BGAERO COC[C@H](C)[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000381453023 344507265 /nfs/dbraw/zinc/50/72/65/344507265.db2.gz IDUPWEAJILEIPO-KBPBESRZSA-N 1 0 227.392 3.384 10 0 BGAERO COC[C@H](C)[NH2+]CC[C@H](C)CCC=C(C)C ZINC000381453024 344507335 /nfs/dbraw/zinc/50/73/35/344507335.db2.gz IDUPWEAJILEIPO-KGLIPLIRSA-N 1 0 227.392 3.384 10 0 BGAERO COC[C@H](C)[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000381462932 539001295 /nfs/dbraw/zinc/00/12/95/539001295.db2.gz LPVVLZTXJFEFFI-FQUUOJAGSA-N 1 0 227.392 3.072 10 0 BGAERO COC[C@H](C)[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000381462935 539001117 /nfs/dbraw/zinc/00/11/17/539001117.db2.gz LPVVLZTXJFEFFI-IGQOVBAYSA-N 1 0 227.392 3.072 10 0 BGAERO COC[C@H](C)[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000381462939 538467944 /nfs/dbraw/zinc/46/79/44/538467944.db2.gz LPVVLZTXJFEFFI-RQJABVFESA-N 1 0 227.392 3.072 10 0 BGAERO COC[C@H](C)[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000381462942 539001244 /nfs/dbraw/zinc/00/12/44/539001244.db2.gz LPVVLZTXJFEFFI-XJFOESAGSA-N 1 0 227.392 3.072 10 0 BGAERO COC[C@H](C)[NH2+]C[C@H](C)CC1CCCCC1 ZINC000381476870 539001709 /nfs/dbraw/zinc/00/17/09/539001709.db2.gz RDXCNMDLPCXZMV-OLZOCXBDSA-N 1 0 227.392 3.217 10 0 BGAERO COC[C@H](C)[NH2+]C[C@@H](C)CC1CCCCC1 ZINC000381476871 539001702 /nfs/dbraw/zinc/00/17/02/539001702.db2.gz RDXCNMDLPCXZMV-STQMWFEESA-N 1 0 227.392 3.217 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@H]1CCCC1(F)F ZINC000381481275 539001676 /nfs/dbraw/zinc/00/16/76/539001676.db2.gz DPSYXTCWTGXYBI-AXFHLTTASA-N 1 0 235.293 3.292 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCCC1(F)F ZINC000381481277 538467718 /nfs/dbraw/zinc/46/77/18/538467718.db2.gz DPSYXTCWTGXYBI-DCAQKATOSA-N 1 0 235.293 3.292 10 0 BGAERO FCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000381481279 538467783 /nfs/dbraw/zinc/46/77/83/538467783.db2.gz DPSYXTCWTGXYBI-GARJFASQSA-N 1 0 235.293 3.292 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCCC1(F)F ZINC000381481280 538467973 /nfs/dbraw/zinc/46/79/73/538467973.db2.gz DPSYXTCWTGXYBI-HBNTYKKESA-N 1 0 235.293 3.292 10 0 BGAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000381487896 357353386 /nfs/dbraw/zinc/35/33/86/357353386.db2.gz WCFBUKQHRLFQJM-FDYHWXHSSA-N 1 0 227.392 3.214 10 0 BGAERO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000381487899 367417492 /nfs/dbraw/zinc/41/74/92/367417492.db2.gz WCFBUKQHRLFQJM-LOWDOPEQSA-N 1 0 227.392 3.214 10 0 BGAERO CO[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000381487905 367417744 /nfs/dbraw/zinc/41/77/44/367417744.db2.gz WCFBUKQHRLFQJM-LPWJVIDDSA-N 1 0 227.392 3.214 10 0 BGAERO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000381487906 367417593 /nfs/dbraw/zinc/41/75/93/367417593.db2.gz WCFBUKQHRLFQJM-UMSGYPCISA-N 1 0 227.392 3.214 10 0 BGAERO Cc1cc([C@H](C)[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000381489034 398259672 /nfs/dbraw/zinc/25/96/72/398259672.db2.gz PQYRRGMSOGINTH-AAEUAGOBSA-N 1 0 239.384 3.276 10 0 BGAERO Cc1cc([C@@H](C)[NH2+]CC[C@@H]2CCCO2)cs1 ZINC000381489044 398259629 /nfs/dbraw/zinc/25/96/29/398259629.db2.gz PQYRRGMSOGINTH-YPMHNXCESA-N 1 0 239.384 3.276 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@@H](O)C2)cs1 ZINC000381494160 398257223 /nfs/dbraw/zinc/25/72/23/398257223.db2.gz RJEPWXCZGNERSC-CYZMBNFOSA-N 1 0 239.384 3.011 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@H](O)C2)cs1 ZINC000381494161 398257437 /nfs/dbraw/zinc/25/74/37/398257437.db2.gz RJEPWXCZGNERSC-DRZSPHRISA-N 1 0 239.384 3.011 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H](O)C2)cs1 ZINC000381494162 398345157 /nfs/dbraw/zinc/34/51/57/398345157.db2.gz RJEPWXCZGNERSC-UHTWSYAYSA-N 1 0 239.384 3.011 10 0 BGAERO Cc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H](O)C2)cs1 ZINC000381494163 398345129 /nfs/dbraw/zinc/34/51/29/398345129.db2.gz RJEPWXCZGNERSC-WCFLWFBJSA-N 1 0 239.384 3.011 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCc1cscn1 ZINC000381499808 367420273 /nfs/dbraw/zinc/42/02/73/367420273.db2.gz CYYMOBADUHWOJI-AAEUAGOBSA-N 1 0 238.400 3.244 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCc1cscn1 ZINC000381499810 367420359 /nfs/dbraw/zinc/42/03/59/367420359.db2.gz CYYMOBADUHWOJI-DGCLKSJQSA-N 1 0 238.400 3.244 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCc1cscn1 ZINC000381499812 367420371 /nfs/dbraw/zinc/42/03/71/367420371.db2.gz CYYMOBADUHWOJI-WCQYABFASA-N 1 0 238.400 3.244 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCc1cscn1 ZINC000381499814 346164695 /nfs/dbraw/zinc/16/46/95/346164695.db2.gz CYYMOBADUHWOJI-YPMHNXCESA-N 1 0 238.400 3.244 10 0 BGAERO Cc1cc(/C=C\[C@@H]2CCCC[NH2+]2)cs1 ZINC000381533517 361476563 /nfs/dbraw/zinc/47/65/63/361476563.db2.gz BHHLWOPISNJGSR-FJOGCWAESA-N 1 0 207.342 3.212 10 0 BGAERO Cc1cc(/C=C\[C@H]2CCCC[NH2+]2)cs1 ZINC000381533518 361476573 /nfs/dbraw/zinc/47/65/73/361476573.db2.gz BHHLWOPISNJGSR-FOQNGQEVSA-N 1 0 207.342 3.212 10 0 BGAERO CCc1cc(C[NH2+][C@H](CC)C(C)(C)C)on1 ZINC000381538144 346297005 /nfs/dbraw/zinc/29/70/05/346297005.db2.gz GORZCYKPOGXSRS-GFCCVEGCSA-N 1 0 224.348 3.151 10 0 BGAERO CCc1cc(C[NH2+][C@@H](CC)C(C)(C)C)on1 ZINC000381538145 346297079 /nfs/dbraw/zinc/29/70/79/346297079.db2.gz GORZCYKPOGXSRS-LBPRGKRZSA-N 1 0 224.348 3.151 10 0 BGAERO CC[C@@H](C)N(C)CC[NH2+][C@H](CC)C(C)(C)C ZINC000381544375 367427655 /nfs/dbraw/zinc/42/76/55/367427655.db2.gz JLJIORICVAVLEJ-CHWSQXEVSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@@H](C)N(C)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000381544379 367427326 /nfs/dbraw/zinc/42/73/26/367427326.db2.gz JLJIORICVAVLEJ-OLZOCXBDSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@@H]([NH2+]CCN(C)[C@@H](C)CC)C(C)(C)C ZINC000381544381 367427580 /nfs/dbraw/zinc/42/75/80/367427580.db2.gz JLJIORICVAVLEJ-QWHCGFSZSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@H](C)N(C)CC[NH2+][C@@H](CC)C(C)(C)C ZINC000381544385 346315955 /nfs/dbraw/zinc/31/59/55/346315955.db2.gz JLJIORICVAVLEJ-STQMWFEESA-N 1 0 228.424 3.131 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]CC1(OC)CCCCC1 ZINC000381556623 346344055 /nfs/dbraw/zinc/34/40/55/346344055.db2.gz PGMOBLLNCAJVGU-CHWSQXEVSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]CC1(OC)CCCCC1 ZINC000381556624 346344247 /nfs/dbraw/zinc/34/42/47/346344247.db2.gz PGMOBLLNCAJVGU-OLZOCXBDSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]CC1(OC)CCCCC1 ZINC000381556625 346344375 /nfs/dbraw/zinc/34/43/75/346344375.db2.gz PGMOBLLNCAJVGU-QWHCGFSZSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]CC1(OC)CCCCC1 ZINC000381556626 346344288 /nfs/dbraw/zinc/34/42/88/346344288.db2.gz PGMOBLLNCAJVGU-STQMWFEESA-N 1 0 225.376 3.114 10 0 BGAERO CCn1c(C)cc2c1CCC[C@H]2[NH2+]C(C)C ZINC000381566155 539003538 /nfs/dbraw/zinc/00/35/38/539003538.db2.gz UNAPLIBVRYKMLP-CYBMUJFWSA-N 1 0 220.360 3.192 10 0 BGAERO CCn1c(C)cc2c1CCC[C@@H]2[NH2+]C(C)C ZINC000381566160 539003851 /nfs/dbraw/zinc/00/38/51/539003851.db2.gz UNAPLIBVRYKMLP-ZDUSSCGKSA-N 1 0 220.360 3.192 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000381567900 539004313 /nfs/dbraw/zinc/00/43/13/539004313.db2.gz VLGXGLSPTBIFPZ-CRWXNKLISA-N 1 0 227.392 3.094 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000381567901 539004222 /nfs/dbraw/zinc/00/42/22/539004222.db2.gz VLGXGLSPTBIFPZ-DGAVXFQQSA-N 1 0 227.392 3.094 10 0 BGAERO CCC[C@H](C)[C@H](CC)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000381567902 539004370 /nfs/dbraw/zinc/00/43/70/539004370.db2.gz VLGXGLSPTBIFPZ-XUXIUFHCSA-N 1 0 227.392 3.094 10 0 BGAERO CCC(CC)(CC)C[NH2+]CC[C@H]1CCCO1 ZINC000381580795 539003982 /nfs/dbraw/zinc/00/39/82/539003982.db2.gz FIIQWXFAXCCJCG-CYBMUJFWSA-N 1 0 227.392 3.362 10 0 BGAERO CCC(CC)(CC)C[NH2+]CC[C@@H]1CCCO1 ZINC000381580796 539003986 /nfs/dbraw/zinc/00/39/86/539003986.db2.gz FIIQWXFAXCCJCG-ZDUSSCGKSA-N 1 0 227.392 3.362 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)[C@@H]1C ZINC000381600082 367435918 /nfs/dbraw/zinc/43/59/18/367435918.db2.gz GUEYBQUHTGMXMO-FIXIBIHLSA-N 1 0 215.340 3.308 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)[C@H]1C ZINC000381600091 367436537 /nfs/dbraw/zinc/43/65/37/367436537.db2.gz GUEYBQUHTGMXMO-PKIAMQTDSA-N 1 0 215.340 3.308 10 0 BGAERO CC[C@@H]([NH2+]CC1(C)CCOCC1)C(C)(C)C ZINC000381606183 346419080 /nfs/dbraw/zinc/41/90/80/346419080.db2.gz QELCKWRNVZPXEC-GFCCVEGCSA-N 1 0 227.392 3.217 10 0 BGAERO CC[C@H]([NH2+]CC1(C)CCOCC1)C(C)(C)C ZINC000381606184 346419179 /nfs/dbraw/zinc/41/91/79/346419179.db2.gz QELCKWRNVZPXEC-LBPRGKRZSA-N 1 0 227.392 3.217 10 0 BGAERO CC/C(=C\c1sccc1Br)C[NH3+] ZINC000381854920 361568949 /nfs/dbraw/zinc/56/89/49/361568949.db2.gz SOOQKTUIOSKNPZ-FNORWQNLSA-N 1 0 246.173 3.263 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CC2CCC1CC2 ZINC000381903755 398285097 /nfs/dbraw/zinc/28/50/97/398285097.db2.gz MTJHOLQLALBJMA-CFDCDAQJSA-N 1 0 207.361 3.199 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@H]1CC2CCC1CC2 ZINC000381903758 397840010 /nfs/dbraw/zinc/84/00/10/397840010.db2.gz MTJHOLQLALBJMA-CKALHPCPSA-N 1 0 207.361 3.199 10 0 BGAERO C[C@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CC2CCC1CC2 ZINC000381903760 397840328 /nfs/dbraw/zinc/84/03/28/397840328.db2.gz MTJHOLQLALBJMA-LPBRGKHYSA-N 1 0 207.361 3.199 10 0 BGAERO C[C@@H]([NH2+][C@H]1C[C@H]1C)[C@@H]1CC2CCC1CC2 ZINC000381903761 397840574 /nfs/dbraw/zinc/84/05/74/397840574.db2.gz MTJHOLQLALBJMA-ZSBNNPHGSA-N 1 0 207.361 3.199 10 0 BGAERO CC[NH+](CC)C[C@@H]1CCCCC1(F)F ZINC000381941559 367474479 /nfs/dbraw/zinc/47/44/79/367474479.db2.gz QVIJPQPMCFTCCH-JTQLQIEISA-N 1 0 205.292 3.154 10 0 BGAERO CC[NH+](CC)C[C@H]1CCCCC1(F)F ZINC000381941561 367474625 /nfs/dbraw/zinc/47/46/25/367474625.db2.gz QVIJPQPMCFTCCH-SNVBAGLBSA-N 1 0 205.292 3.154 10 0 BGAERO C/C(=C\COCc1ccccc1)CCCC[NH3+] ZINC000381941614 374169873 /nfs/dbraw/zinc/16/98/73/374169873.db2.gz XBKFPHDJWSPFPT-GXDHUFHOSA-N 1 0 233.355 3.279 10 0 BGAERO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@H](O)C1 ZINC000381946760 398255399 /nfs/dbraw/zinc/25/53/99/398255399.db2.gz ZIIQHSPXJZBITG-CVEARBPZSA-N 1 0 247.382 3.060 10 0 BGAERO CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@H](O)C1 ZINC000381946761 398288348 /nfs/dbraw/zinc/28/83/48/398288348.db2.gz ZIIQHSPXJZBITG-HOTGVXAUSA-N 1 0 247.382 3.060 10 0 BGAERO CC[N@@H+](Cc1ccccc1)C[C@@H]1CCC[C@@H](O)C1 ZINC000381946762 398288289 /nfs/dbraw/zinc/28/82/89/398288289.db2.gz ZIIQHSPXJZBITG-HZPDHXFCSA-N 1 0 247.382 3.060 10 0 BGAERO CC[N@@H+](Cc1ccccc1)C[C@H]1CCC[C@@H](O)C1 ZINC000381946763 398288335 /nfs/dbraw/zinc/28/83/35/398288335.db2.gz ZIIQHSPXJZBITG-JKSUJKDBSA-N 1 0 247.382 3.060 10 0 BGAERO C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000381981493 398293370 /nfs/dbraw/zinc/29/33/70/398293370.db2.gz FKZMWQSFHQZZLB-LMLFDSFASA-N 1 0 235.293 3.496 10 0 BGAERO CC[C@@H](C)[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000382109611 367486887 /nfs/dbraw/zinc/48/68/87/367486887.db2.gz DKDMRHJFVDONBU-AAVRWANBSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@H](C)[C@@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000382109612 367487478 /nfs/dbraw/zinc/48/74/78/367487478.db2.gz DKDMRHJFVDONBU-REWJHTLYSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@@H](C)[C@H](C)[NH2+]C[C@H]1CCO[C@@H]1C(C)C ZINC000382109613 367487565 /nfs/dbraw/zinc/48/75/65/367487565.db2.gz DKDMRHJFVDONBU-XJFOESAGSA-N 1 0 227.392 3.072 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000382117243 490193847 /nfs/dbraw/zinc/19/38/47/490193847.db2.gz MMGAPCHCCSQDCE-ABAIWWIYSA-N 1 0 215.340 3.452 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000382117244 490193865 /nfs/dbraw/zinc/19/38/65/490193865.db2.gz MMGAPCHCCSQDCE-NHYWBVRUSA-N 1 0 215.340 3.452 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000382117246 398305994 /nfs/dbraw/zinc/30/59/94/398305994.db2.gz MMGAPCHCCSQDCE-XHDPSFHLSA-N 1 0 215.340 3.452 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)c1ccsc1 ZINC000382124814 398306618 /nfs/dbraw/zinc/30/66/18/398306618.db2.gz NJXITKOROYFMEI-AGIUHOORSA-N 1 0 239.384 3.092 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@H](O)C1)c1ccsc1 ZINC000382124816 398306628 /nfs/dbraw/zinc/30/66/28/398306628.db2.gz NJXITKOROYFMEI-AVGNSLFASA-N 1 0 239.384 3.092 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)c1ccsc1 ZINC000382124818 398306575 /nfs/dbraw/zinc/30/65/75/398306575.db2.gz NJXITKOROYFMEI-UPJWGTAASA-N 1 0 239.384 3.092 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](O)C1)c1ccsc1 ZINC000382124819 398306694 /nfs/dbraw/zinc/30/66/94/398306694.db2.gz NJXITKOROYFMEI-XQQFMLRXSA-N 1 0 239.384 3.092 10 0 BGAERO CC[C@@H]([NH2+]CCC1(OC)CCC1)C(C)(C)C ZINC000382179211 367494843 /nfs/dbraw/zinc/49/48/43/367494843.db2.gz YWZGBCWFVNHYOQ-GFCCVEGCSA-N 1 0 227.392 3.360 10 0 BGAERO CC[C@H]([NH2+]CCC1(OC)CCC1)C(C)(C)C ZINC000382179215 367495529 /nfs/dbraw/zinc/49/55/29/367495529.db2.gz YWZGBCWFVNHYOQ-LBPRGKRZSA-N 1 0 227.392 3.360 10 0 BGAERO COc1ccsc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382247438 397927945 /nfs/dbraw/zinc/92/79/45/397927945.db2.gz UICUSGOOERUMHV-HBNTYKKESA-N 1 0 237.368 3.035 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000382274523 347257044 /nfs/dbraw/zinc/25/70/44/347257044.db2.gz CEYOEQZGZFSXBK-AAVRWANBSA-N 1 0 207.361 3.343 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000382274529 367503028 /nfs/dbraw/zinc/50/30/28/367503028.db2.gz CEYOEQZGZFSXBK-XJFOESAGSA-N 1 0 207.361 3.343 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000382274531 367503335 /nfs/dbraw/zinc/50/33/35/367503335.db2.gz CEYOEQZGZFSXBK-YIYPIFLZSA-N 1 0 207.361 3.343 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000382274534 367502930 /nfs/dbraw/zinc/50/29/30/367502930.db2.gz CEYOEQZGZFSXBK-ZOBORPQBSA-N 1 0 207.361 3.343 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccoc1 ZINC000382313061 397934664 /nfs/dbraw/zinc/93/46/64/397934664.db2.gz QQJOPWSCBKLGDD-YRRQLQLVSA-N 1 0 205.301 3.119 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H]1C(F)F)C(C)(C)C ZINC000382314595 367506612 /nfs/dbraw/zinc/50/66/12/367506612.db2.gz RDECXISADWWNPL-CIUDSAMLSA-N 1 0 205.292 3.054 10 0 BGAERO CC[C@@H]([NH2+][C@H]1C[C@@H]1C(F)F)C(C)(C)C ZINC000382314599 367507025 /nfs/dbraw/zinc/50/70/25/367507025.db2.gz RDECXISADWWNPL-XHNCKOQMSA-N 1 0 205.292 3.054 10 0 BGAERO CCc1ccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)o1 ZINC000382326475 487761652 /nfs/dbraw/zinc/76/16/52/487761652.db2.gz VEXSQKBQKQGBAM-ZLKJLUDKSA-N 1 0 219.328 3.120 10 0 BGAERO CCCC[C@@H](CC)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000382344165 367510650 /nfs/dbraw/zinc/51/06/50/367510650.db2.gz DESQELAZDISPBQ-MGPQQGTHSA-N 1 0 227.392 3.238 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000382400377 367516466 /nfs/dbraw/zinc/51/64/66/367516466.db2.gz PRWZMZHJYWKTIN-FDYHWXHSSA-N 1 0 213.340 3.293 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@@H]1CCF ZINC000382400378 367516677 /nfs/dbraw/zinc/51/66/77/367516677.db2.gz PRWZMZHJYWKTIN-FVCCEPFGSA-N 1 0 213.340 3.293 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCC[C@H]1CCF ZINC000382400385 367516198 /nfs/dbraw/zinc/51/61/98/367516198.db2.gz PRWZMZHJYWKTIN-QNWHQSFQSA-N 1 0 213.340 3.293 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1CCF ZINC000382400394 367516549 /nfs/dbraw/zinc/51/65/49/367516549.db2.gz PRWZMZHJYWKTIN-UMSGYPCISA-N 1 0 213.340 3.293 10 0 BGAERO Cc1sccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000382411222 397946870 /nfs/dbraw/zinc/94/68/70/397946870.db2.gz UNNNZAKFRMJNNF-CYZMBNFOSA-N 1 0 221.369 3.335 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[C@@]21C ZINC000382429174 367521987 /nfs/dbraw/zinc/52/19/87/367521987.db2.gz ZGEOEUPETAQVKX-KSTCHIGDSA-N 1 0 207.361 3.343 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@]21C ZINC000382429183 367521688 /nfs/dbraw/zinc/52/16/88/367521688.db2.gz ZGEOEUPETAQVKX-XVIXHAIJSA-N 1 0 207.361 3.343 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@H]1CCCC[C@H]1O)C1CC1 ZINC000383077226 367593075 /nfs/dbraw/zinc/59/30/75/367593075.db2.gz RZBNHOTXLRYGRX-SOUVJXGZSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)CC[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)C1CC1 ZINC000383077228 367592504 /nfs/dbraw/zinc/59/25/04/367592504.db2.gz RZBNHOTXLRYGRX-ZNMIVQPWSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)(C)C1CCC2(CCC[C@H](C[NH3+])O2)CC1 ZINC000383235058 539011764 /nfs/dbraw/zinc/01/17/64/539011764.db2.gz CQBTXSPYNKHUPE-JVWICGRDSA-N 1 0 239.403 3.489 10 0 BGAERO CC(C)(C)C1CCC2(CCC[C@@H](C[NH3+])O2)CC1 ZINC000383235059 539011654 /nfs/dbraw/zinc/01/16/54/539011654.db2.gz CQBTXSPYNKHUPE-OWYJLGKBSA-N 1 0 239.403 3.489 10 0 BGAERO c1ccc([C@@H]2C[C@@H]2[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000383403854 398018474 /nfs/dbraw/zinc/01/84/74/398018474.db2.gz PZYQBLHXIWCZBE-NPJQDHAYSA-N 1 0 227.351 3.321 10 0 BGAERO CC1(C)CCC[N@H+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000383546944 411292554 /nfs/dbraw/zinc/29/25/54/411292554.db2.gz VYRLPRVQTPVFQI-KBPBESRZSA-N 1 0 239.403 3.050 10 0 BGAERO CC1(C)CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000383546946 411291999 /nfs/dbraw/zinc/29/19/99/411291999.db2.gz VYRLPRVQTPVFQI-KGLIPLIRSA-N 1 0 239.403 3.050 10 0 BGAERO CC1(C)CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000383546948 411292222 /nfs/dbraw/zinc/29/22/22/411292222.db2.gz VYRLPRVQTPVFQI-UONOGXRCSA-N 1 0 239.403 3.050 10 0 BGAERO CC1(C)CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000383546951 411292491 /nfs/dbraw/zinc/29/24/91/411292491.db2.gz VYRLPRVQTPVFQI-ZIAGYGMSSA-N 1 0 239.403 3.050 10 0 BGAERO C[N@H+](C[C@H]1CCC[C@@H](O)C1)C1CCCCCC1 ZINC000383549409 411291879 /nfs/dbraw/zinc/29/18/79/411291879.db2.gz WRLQPNCFOILYSE-DZGCQCFKSA-N 1 0 239.403 3.192 10 0 BGAERO C[N@H+](C[C@@H]1CCC[C@H](O)C1)C1CCCCCC1 ZINC000383549410 411292448 /nfs/dbraw/zinc/29/24/48/411292448.db2.gz WRLQPNCFOILYSE-HIFRSBDPSA-N 1 0 239.403 3.192 10 0 BGAERO C[N@H+](C[C@@H]1CCC[C@@H](O)C1)C1CCCCCC1 ZINC000383549411 411292234 /nfs/dbraw/zinc/29/22/34/411292234.db2.gz WRLQPNCFOILYSE-UKRRQHHQSA-N 1 0 239.403 3.192 10 0 BGAERO C[N@H+](C[C@H]1CCC[C@H](O)C1)C1CCCCCC1 ZINC000383549412 411292352 /nfs/dbraw/zinc/29/23/52/411292352.db2.gz WRLQPNCFOILYSE-ZFWWWQNUSA-N 1 0 239.403 3.192 10 0 BGAERO CCC1(C)CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000383683661 487661080 /nfs/dbraw/zinc/66/10/80/487661080.db2.gz PIMMAODYYMQTNP-KBPBESRZSA-N 1 0 239.403 3.050 10 0 BGAERO CCC1(C)CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000383683662 487661198 /nfs/dbraw/zinc/66/11/98/487661198.db2.gz PIMMAODYYMQTNP-KGLIPLIRSA-N 1 0 239.403 3.050 10 0 BGAERO CCC1(C)CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000383683663 487661274 /nfs/dbraw/zinc/66/12/74/487661274.db2.gz PIMMAODYYMQTNP-UONOGXRCSA-N 1 0 239.403 3.050 10 0 BGAERO CCC1(C)CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000383683664 487661300 /nfs/dbraw/zinc/66/13/00/487661300.db2.gz PIMMAODYYMQTNP-ZIAGYGMSSA-N 1 0 239.403 3.050 10 0 BGAERO c1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000383701205 538664657 /nfs/dbraw/zinc/66/46/57/538664657.db2.gz SGKOZFNIIKKMMZ-BVUBDWEXSA-N 1 0 227.351 3.452 10 0 BGAERO CCC(CC)C[N@H+](CC)C[C@@H]1CCC[C@H](O)C1 ZINC000383758277 487670613 /nfs/dbraw/zinc/67/06/13/487670613.db2.gz DHSVDBYOXJYKCM-CABCVRRESA-N 1 0 241.419 3.296 10 0 BGAERO CCC(CC)C[N@H+](CC)C[C@H]1CCC[C@H](O)C1 ZINC000383758298 487670774 /nfs/dbraw/zinc/67/07/74/487670774.db2.gz DHSVDBYOXJYKCM-GJZGRUSLSA-N 1 0 241.419 3.296 10 0 BGAERO CCC(CC)C[N@H+](CC)C[C@@H]1CCC[C@@H](O)C1 ZINC000383758305 487670786 /nfs/dbraw/zinc/67/07/86/487670786.db2.gz DHSVDBYOXJYKCM-HUUCEWRRSA-N 1 0 241.419 3.296 10 0 BGAERO CCC(CC)C[N@H+](CC)C[C@H]1CCC[C@@H](O)C1 ZINC000383758311 487670759 /nfs/dbraw/zinc/67/07/59/487670759.db2.gz DHSVDBYOXJYKCM-LSDHHAIUSA-N 1 0 241.419 3.296 10 0 BGAERO C[N@H+](CC1CCCCC1)C[C@@H]1CCC[C@H](O)C1 ZINC000383969781 398055046 /nfs/dbraw/zinc/05/50/46/398055046.db2.gz YKHDFQGJWRSJOG-CABCVRRESA-N 1 0 239.403 3.050 10 0 BGAERO C[N@H+](CC1CCCCC1)C[C@H]1CCC[C@H](O)C1 ZINC000383970240 398054952 /nfs/dbraw/zinc/05/49/52/398054952.db2.gz YKHDFQGJWRSJOG-GJZGRUSLSA-N 1 0 239.403 3.050 10 0 BGAERO C[N@H+](CC1CCCCC1)C[C@@H]1CCC[C@@H](O)C1 ZINC000383970241 398054896 /nfs/dbraw/zinc/05/48/96/398054896.db2.gz YKHDFQGJWRSJOG-HUUCEWRRSA-N 1 0 239.403 3.050 10 0 BGAERO C[N@H+](CC1CCCCC1)C[C@H]1CCC[C@@H](O)C1 ZINC000383970242 398055005 /nfs/dbraw/zinc/05/50/05/398055005.db2.gz YKHDFQGJWRSJOG-LSDHHAIUSA-N 1 0 239.403 3.050 10 0 BGAERO CO[C@H](C)CC[NH2+][C@@H]1C[C@H](C)CC[C@H]1C(C)C ZINC000384066866 367671202 /nfs/dbraw/zinc/67/12/02/367671202.db2.gz UNCAHKZWNDEYKK-APIJFGDWSA-N 1 0 241.419 3.462 10 0 BGAERO CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@@H]1C(C)C ZINC000384066867 367671082 /nfs/dbraw/zinc/67/10/82/367671082.db2.gz UNCAHKZWNDEYKK-GBJTYRQASA-N 1 0 241.419 3.462 10 0 BGAERO CO[C@H](C)CC[NH2+][C@@H]1C[C@@H](C)CC[C@H]1C(C)C ZINC000384066869 367670733 /nfs/dbraw/zinc/67/07/33/367670733.db2.gz UNCAHKZWNDEYKK-LJISPDSOSA-N 1 0 241.419 3.462 10 0 BGAERO C[C@H](CCCO)C[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000384351651 367687103 /nfs/dbraw/zinc/68/71/03/367687103.db2.gz GCFKLJCOHLTZAB-HZSPNIEDSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CCCO)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000384351652 367687093 /nfs/dbraw/zinc/68/70/93/367687093.db2.gz GCFKLJCOHLTZAB-MCIONIFRSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CCCO)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000384351653 367686971 /nfs/dbraw/zinc/68/69/71/367686971.db2.gz GCFKLJCOHLTZAB-MGPQQGTHSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CCCO)C[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000384351654 367686508 /nfs/dbraw/zinc/68/65/08/367686508.db2.gz GCFKLJCOHLTZAB-RDBSUJKOSA-N 1 0 241.419 3.199 10 0 BGAERO CCCc1ccccc1-c1cnc(N)c(C)c1 ZINC000384455999 343145966 /nfs/dbraw/zinc/14/59/66/343145966.db2.gz LCRLPTNEXWMDKD-UHFFFAOYSA-N 1 0 226.323 3.422 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2CCC[C@H](O)[C@@H]2C)cc1 ZINC000384874927 367747106 /nfs/dbraw/zinc/74/71/06/367747106.db2.gz GXAUWYVNWSNOAE-BBRMVZONSA-N 1 0 247.382 3.155 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2CCC[C@H](O)[C@H]2C)cc1 ZINC000384874930 367747472 /nfs/dbraw/zinc/74/74/72/367747472.db2.gz GXAUWYVNWSNOAE-CJNGLKHVSA-N 1 0 247.382 3.155 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1 ZINC000384874932 367747172 /nfs/dbraw/zinc/74/71/72/367747172.db2.gz GXAUWYVNWSNOAE-CZUORRHYSA-N 1 0 247.382 3.155 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H]2C)cc1 ZINC000384874933 367748012 /nfs/dbraw/zinc/74/80/12/367748012.db2.gz GXAUWYVNWSNOAE-XJKSGUPXSA-N 1 0 247.382 3.155 10 0 BGAERO CC/C=C/C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000384905931 367754394 /nfs/dbraw/zinc/75/43/94/367754394.db2.gz OYLOFSHWSRGMHH-ANYFNZRUSA-N 1 0 235.375 3.137 10 0 BGAERO CC/C=C/C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000384905932 367754707 /nfs/dbraw/zinc/75/47/07/367754707.db2.gz OYLOFSHWSRGMHH-FBOQAHMBSA-N 1 0 235.375 3.137 10 0 BGAERO CC/C=C\C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000384905936 367754191 /nfs/dbraw/zinc/75/41/91/367754191.db2.gz OYLOFSHWSRGMHH-IQQGHNRFSA-N 1 0 235.375 3.137 10 0 BGAERO CC/C=C\C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000384905941 367754685 /nfs/dbraw/zinc/75/46/85/367754685.db2.gz OYLOFSHWSRGMHH-TYBABMIJSA-N 1 0 235.375 3.137 10 0 BGAERO OC[C@H]([NH2+][C@@H]1C=CCCCCC1)c1ccccc1 ZINC000385040318 367776621 /nfs/dbraw/zinc/77/66/21/367776621.db2.gz KCGQJITWUKKPSW-CVEARBPZSA-N 1 0 245.366 3.199 10 0 BGAERO OC[C@H]([NH2+][C@H]1C=CCCCCC1)c1ccccc1 ZINC000385040322 367777604 /nfs/dbraw/zinc/77/76/04/367777604.db2.gz KCGQJITWUKKPSW-HOTGVXAUSA-N 1 0 245.366 3.199 10 0 BGAERO OC[C@@H]([NH2+][C@@H]1C=CCCCCC1)c1ccccc1 ZINC000385040328 367777803 /nfs/dbraw/zinc/77/78/03/367777803.db2.gz KCGQJITWUKKPSW-HZPDHXFCSA-N 1 0 245.366 3.199 10 0 BGAERO OC[C@@H]([NH2+][C@H]1C=CCCCCC1)c1ccccc1 ZINC000385040330 367776743 /nfs/dbraw/zinc/77/67/43/367776743.db2.gz KCGQJITWUKKPSW-JKSUJKDBSA-N 1 0 245.366 3.199 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@@H](C)CC(C)(C)C)o1 ZINC000385050579 344841229 /nfs/dbraw/zinc/84/12/29/344841229.db2.gz BQCRUCAOVOVUGL-GXSJLCMTSA-N 1 0 224.348 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@H](C)CC(C)(C)C)o1 ZINC000385050580 367779404 /nfs/dbraw/zinc/77/94/04/367779404.db2.gz BQCRUCAOVOVUGL-KOLCDFICSA-N 1 0 224.348 3.458 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+][C@H](C)CC(C)(C)C)o1 ZINC000385050581 367778434 /nfs/dbraw/zinc/77/84/34/367778434.db2.gz BQCRUCAOVOVUGL-MWLCHTKSSA-N 1 0 224.348 3.458 10 0 BGAERO Cc1cnc([C@H](C)[NH2+][C@@H](C)CC(C)(C)C)o1 ZINC000385050582 367778773 /nfs/dbraw/zinc/77/87/73/367778773.db2.gz BQCRUCAOVOVUGL-ONGXEEELSA-N 1 0 224.348 3.458 10 0 BGAERO C/C=C/C[NH2+]C[C@H](O)c1ccc2ccccc2c1 ZINC000385099919 356898508 /nfs/dbraw/zinc/89/85/08/356898508.db2.gz ZMYJEKSEGUBEPU-KZSQQDEKSA-N 1 0 241.334 3.039 10 0 BGAERO C/C=C/C[NH2+]C[C@@H](O)c1ccc2ccccc2c1 ZINC000385099921 356898404 /nfs/dbraw/zinc/89/84/04/356898404.db2.gz ZMYJEKSEGUBEPU-WOMSROEHSA-N 1 0 241.334 3.039 10 0 BGAERO Cc1cocc1-c1ccc(C[C@@H](C)[NH3+])cc1 ZINC000385107865 344326451 /nfs/dbraw/zinc/32/64/51/344326451.db2.gz CHLJYNOJEHPBCK-LLVKDONJSA-N 1 0 215.296 3.145 10 0 BGAERO Cc1cocc1-c1ccc(C[C@H](C)[NH3+])cc1 ZINC000385107867 344326649 /nfs/dbraw/zinc/32/66/49/344326649.db2.gz CHLJYNOJEHPBCK-NSHDSACASA-N 1 0 215.296 3.145 10 0 BGAERO C[C@@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000385203266 367808334 /nfs/dbraw/zinc/80/83/34/367808334.db2.gz PJJGOYAARWEAKS-AGIUHOORSA-N 1 0 241.419 3.340 10 0 BGAERO C[C@@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000385203268 367807744 /nfs/dbraw/zinc/80/77/44/367807744.db2.gz PJJGOYAARWEAKS-FRRDWIJNSA-N 1 0 241.419 3.340 10 0 BGAERO C[C@H](CC(C)(C)O)[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000385203270 367807507 /nfs/dbraw/zinc/80/75/07/367807507.db2.gz PJJGOYAARWEAKS-JHJVBQTASA-N 1 0 241.419 3.340 10 0 BGAERO C[C@H](CC(C)(C)O)[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000385203272 367807754 /nfs/dbraw/zinc/80/77/54/367807754.db2.gz PJJGOYAARWEAKS-UPJWGTAASA-N 1 0 241.419 3.340 10 0 BGAERO Cc1cocc1-c1cccc2c1CC[C@@H]2[NH3+] ZINC000385207713 367807556 /nfs/dbraw/zinc/80/75/56/367807556.db2.gz PDJGOMFQKWQVTC-AWEZNQCLSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1cocc1-c1cccc2c1CC[C@H]2[NH3+] ZINC000385207721 342683642 /nfs/dbraw/zinc/68/36/42/342683642.db2.gz PDJGOMFQKWQVTC-CQSZACIVSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1cocc1-c1ccc2c(c1)CC[C@@H]2[NH3+] ZINC000385224765 367810917 /nfs/dbraw/zinc/81/09/17/367810917.db2.gz RPPWMDLTJXTUNB-AWEZNQCLSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1cocc1-c1ccc2c(c1)CC[C@H]2[NH3+] ZINC000385224766 344378354 /nfs/dbraw/zinc/37/83/54/344378354.db2.gz RPPWMDLTJXTUNB-CQSZACIVSA-N 1 0 213.280 3.201 10 0 BGAERO OCCC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC000385270987 367814563 /nfs/dbraw/zinc/81/45/63/367814563.db2.gz ZZAOHTNBDBLSMF-HNNXBMFYSA-N 1 0 237.387 3.114 10 0 BGAERO OCCC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC000385270996 367815118 /nfs/dbraw/zinc/81/51/18/367815118.db2.gz ZZAOHTNBDBLSMF-OAHLLOKOSA-N 1 0 237.387 3.114 10 0 BGAERO Cc1cnn(CC[NH2+][C@@H](C)C2CCCCCC2)c1 ZINC000385415319 367827644 /nfs/dbraw/zinc/82/76/44/367827644.db2.gz USQFRVHMIWROAQ-AWEZNQCLSA-N 1 0 249.402 3.140 10 0 BGAERO c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[C@@H]3C[C@@H]31)C2 ZINC000385473498 398165690 /nfs/dbraw/zinc/16/56/90/398165690.db2.gz LSNLIDBCBFUYMQ-LTIDMASMSA-N 1 0 241.378 3.322 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)CO)CC(C)(C)C1 ZINC000385875285 367872507 /nfs/dbraw/zinc/87/25/07/367872507.db2.gz JZNUYUBUNLEHSA-CHWSQXEVSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CCC(C)(C)CO)CC(C)(C)C1 ZINC000385875287 367872607 /nfs/dbraw/zinc/87/26/07/367872607.db2.gz JZNUYUBUNLEHSA-OLZOCXBDSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)[C@@H]1C ZINC000386019044 367898868 /nfs/dbraw/zinc/89/88/68/367898868.db2.gz VMFFGUZJTKYLGA-IDMWTJEOSA-N 1 0 233.330 3.447 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3F)[C@H]1C ZINC000386019048 367898641 /nfs/dbraw/zinc/89/86/41/367898641.db2.gz VMFFGUZJTKYLGA-MMDVMMEASA-N 1 0 233.330 3.447 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)[C@H]1C ZINC000386019050 367898742 /nfs/dbraw/zinc/89/87/42/367898742.db2.gz VMFFGUZJTKYLGA-QPNXVFALSA-N 1 0 233.330 3.447 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3F)[C@@H]1C ZINC000386019053 367899021 /nfs/dbraw/zinc/89/90/21/367899021.db2.gz VMFFGUZJTKYLGA-RPVFDAQASA-N 1 0 233.330 3.447 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCCO2)c2ccccc21 ZINC000386440532 539013645 /nfs/dbraw/zinc/01/36/45/539013645.db2.gz BPGQQEZKIGKNCB-DVOMOZLQSA-N 1 0 245.366 3.394 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCCO2)c2ccccc21 ZINC000386440551 539013772 /nfs/dbraw/zinc/01/37/72/539013772.db2.gz BPGQQEZKIGKNCB-WWGRRREGSA-N 1 0 245.366 3.394 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)c2ccccc21 ZINC000386604135 539013485 /nfs/dbraw/zinc/01/34/85/539013485.db2.gz LSLIJGVTESNJAN-DVZHBHJUSA-N 1 0 245.366 3.128 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)c2ccccc21 ZINC000386604139 539013610 /nfs/dbraw/zinc/01/36/10/539013610.db2.gz LSLIJGVTESNJAN-FOCJUVANSA-N 1 0 245.366 3.128 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)c2ccccc21 ZINC000386604140 539013427 /nfs/dbraw/zinc/01/34/27/539013427.db2.gz LSLIJGVTESNJAN-IATRGZMQSA-N 1 0 245.366 3.128 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)c2ccccc21 ZINC000386604142 539013626 /nfs/dbraw/zinc/01/36/26/539013626.db2.gz LSLIJGVTESNJAN-JXFSHQFZSA-N 1 0 245.366 3.128 10 0 BGAERO CC[C@H]([NH2+]CC[C@@H]1CCCO1)C1CCCC1 ZINC000387476655 398233971 /nfs/dbraw/zinc/23/39/71/398233971.db2.gz UVMVLHJZHOAYCW-KBPBESRZSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)C1CCCC1 ZINC000387476658 398233899 /nfs/dbraw/zinc/23/38/99/398233899.db2.gz UVMVLHJZHOAYCW-UONOGXRCSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1O)C1CCCC1 ZINC000387528086 344699756 /nfs/dbraw/zinc/69/97/56/344699756.db2.gz LRCCCACRJTYYSN-KKUMJFAQSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@H]([NH2+]C[C@H]1CCCC[C@H]1O)C1CCCC1 ZINC000387528087 344699919 /nfs/dbraw/zinc/69/99/19/344699919.db2.gz LRCCCACRJTYYSN-QLFBSQMISA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCCN(CC)C1)C1CCCC1 ZINC000387557030 344839478 /nfs/dbraw/zinc/83/94/78/344839478.db2.gz WIRKUBLAJLCTET-CABCVRRESA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCN(CC)C1)C1CCCC1 ZINC000387557031 344839327 /nfs/dbraw/zinc/83/93/27/344839327.db2.gz WIRKUBLAJLCTET-GJZGRUSLSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCCN(CC)C1)C1CCCC1 ZINC000387557032 344839468 /nfs/dbraw/zinc/83/94/68/344839468.db2.gz WIRKUBLAJLCTET-HUUCEWRRSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCCN(CC)C1)C1CCCC1 ZINC000387557033 344839442 /nfs/dbraw/zinc/83/94/42/344839442.db2.gz WIRKUBLAJLCTET-LSDHHAIUSA-N 1 0 238.419 3.029 10 0 BGAERO CC[C@@H]1C[C@H]1C[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000387887803 347118405 /nfs/dbraw/zinc/11/84/05/347118405.db2.gz XWLXBDDGKBCYTQ-GDLCADMTSA-N 1 0 249.402 3.217 10 0 BGAERO CC[C@@H]1C[C@H]1C[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000387887804 347118616 /nfs/dbraw/zinc/11/86/16/347118616.db2.gz XWLXBDDGKBCYTQ-HONMWMINSA-N 1 0 249.402 3.217 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCF ZINC000388839328 353776751 /nfs/dbraw/zinc/77/67/51/353776751.db2.gz WKJGALZPDITOHU-GRYCIOLGSA-N 1 0 201.329 3.006 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCF ZINC000388839334 353777131 /nfs/dbraw/zinc/77/71/31/353777131.db2.gz WKJGALZPDITOHU-WOPDTQHZSA-N 1 0 201.329 3.006 10 0 BGAERO CCN1CC[C@@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000389126382 355707517 /nfs/dbraw/zinc/70/75/17/355707517.db2.gz DGDCJNFSTKUHEN-GDBMZVCRSA-N 1 0 246.398 3.048 10 0 BGAERO CCN1CC[C@H]([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000389126829 355710675 /nfs/dbraw/zinc/71/06/75/355710675.db2.gz DGDCJNFSTKUHEN-ZBFHGGJFSA-N 1 0 246.398 3.048 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCN(CC)C1)c1cccc(C)c1 ZINC000389170756 490404679 /nfs/dbraw/zinc/40/46/79/490404679.db2.gz NUFSQXXYCRJIJU-CVEARBPZSA-N 1 0 246.398 3.130 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCN(CC)C1)c1cccc(C)c1 ZINC000389170757 490404772 /nfs/dbraw/zinc/40/47/72/490404772.db2.gz NUFSQXXYCRJIJU-HOTGVXAUSA-N 1 0 246.398 3.130 10 0 BGAERO Clc1ccsc1C[NH2+]CC[C@@H]1CCCO1 ZINC000389409647 539016618 /nfs/dbraw/zinc/01/66/18/539016618.db2.gz OARVTNDHHVWWNV-VIFPVBQESA-N 1 0 245.775 3.060 10 0 BGAERO CC[C@H]([NH2+]C[C@@H](OC)C(C)C)C(C)(C)C ZINC000389860727 357055949 /nfs/dbraw/zinc/05/59/49/357055949.db2.gz DGPOUZPMDXOUEG-NEPJUHHUSA-N 1 0 215.381 3.072 10 0 BGAERO CC[C@@H]([NH2+]C[C@H](OC)C(C)C)C(C)(C)C ZINC000389860729 357055912 /nfs/dbraw/zinc/05/59/12/357055912.db2.gz DGPOUZPMDXOUEG-NWDGAFQWSA-N 1 0 215.381 3.072 10 0 BGAERO CC[C@H]([NH2+]C[C@H](OC)C(C)C)C(C)(C)C ZINC000389860731 357056021 /nfs/dbraw/zinc/05/60/21/357056021.db2.gz DGPOUZPMDXOUEG-RYUDHWBXSA-N 1 0 215.381 3.072 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H](OC)C(C)C)C(C)(C)C ZINC000389860732 357056179 /nfs/dbraw/zinc/05/61/79/357056179.db2.gz DGPOUZPMDXOUEG-VXGBXAGGSA-N 1 0 215.381 3.072 10 0 BGAERO CC[C@@H]([NH2+]CCCCCOC)C(C)(C)C ZINC000389892689 357060548 /nfs/dbraw/zinc/06/05/48/357060548.db2.gz ARUGSIWEEWJFQD-GFCCVEGCSA-N 1 0 215.381 3.217 10 0 BGAERO CC[C@H]([NH2+]CCCCCOC)C(C)(C)C ZINC000389892690 357060348 /nfs/dbraw/zinc/06/03/48/357060348.db2.gz ARUGSIWEEWJFQD-LBPRGKRZSA-N 1 0 215.381 3.217 10 0 BGAERO CC[C@@H]([NH2+]CCOC(C)(C)C)C(C)(C)C ZINC000389904231 357065075 /nfs/dbraw/zinc/06/50/75/357065075.db2.gz FSHCMUUFZURTQA-LLVKDONJSA-N 1 0 215.381 3.216 10 0 BGAERO CC[C@H]([NH2+]CCOC(C)(C)C)C(C)(C)C ZINC000389904235 357064827 /nfs/dbraw/zinc/06/48/27/357064827.db2.gz FSHCMUUFZURTQA-NSHDSACASA-N 1 0 215.381 3.216 10 0 BGAERO CCCC[C@@H](CC)CC[NH2+][C@@H](C)COC ZINC000389906490 538008946 /nfs/dbraw/zinc/00/89/46/538008946.db2.gz HEKZHKLZGYSZFY-QWHCGFSZSA-N 1 0 215.381 3.217 10 0 BGAERO CCCC[C@H](CC)CC[NH2+][C@@H](C)COC ZINC000389906491 538009054 /nfs/dbraw/zinc/00/90/54/538009054.db2.gz HEKZHKLZGYSZFY-STQMWFEESA-N 1 0 215.381 3.217 10 0 BGAERO Cc1ccccc1[C@@H]1C[C@H]1[NH2+]CC(C)C ZINC000389925433 488125080 /nfs/dbraw/zinc/12/50/80/488125080.db2.gz VTEWEOQBHUKWRT-UONOGXRCSA-N 1 0 203.329 3.097 10 0 BGAERO CC[C@@H]([NH2+]CCCOC(C)C)C(C)(C)C ZINC000389974523 357076698 /nfs/dbraw/zinc/07/66/98/357076698.db2.gz DSLHKBIWAKMRLS-GFCCVEGCSA-N 1 0 215.381 3.216 10 0 BGAERO CC[C@H]([NH2+]CCCOC(C)C)C(C)(C)C ZINC000389974524 357076548 /nfs/dbraw/zinc/07/65/48/357076548.db2.gz DSLHKBIWAKMRLS-LBPRGKRZSA-N 1 0 215.381 3.216 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCSC1 ZINC000389983088 357078432 /nfs/dbraw/zinc/07/84/32/357078432.db2.gz KJBVHRLOXYXZSY-JHJVBQTASA-N 1 0 227.417 3.298 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCSC1 ZINC000389983089 357078541 /nfs/dbraw/zinc/07/85/41/357078541.db2.gz KJBVHRLOXYXZSY-UPJWGTAASA-N 1 0 227.417 3.298 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCSC1 ZINC000389983090 357078571 /nfs/dbraw/zinc/07/85/71/357078571.db2.gz KJBVHRLOXYXZSY-XQQFMLRXSA-N 1 0 227.417 3.298 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCSC1 ZINC000389983091 357078202 /nfs/dbraw/zinc/07/82/02/357078202.db2.gz KJBVHRLOXYXZSY-YNEHKIRRSA-N 1 0 227.417 3.298 10 0 BGAERO C[C@@H]([NH2+]C1CSC1)c1ccc(F)c(Cl)c1 ZINC000390005029 541405613 /nfs/dbraw/zinc/40/56/13/541405613.db2.gz WBFJQONJBSJUTI-SSDOTTSWSA-N 1 0 245.750 3.245 10 0 BGAERO C[C@H]([NH2+]C1CSC1)c1ccc(F)c(Cl)c1 ZINC000390005031 537787566 /nfs/dbraw/zinc/78/75/66/537787566.db2.gz WBFJQONJBSJUTI-ZETCQYMHSA-N 1 0 245.750 3.245 10 0 BGAERO C/C=C\C[NH2+]C(C)(C)COCc1ccccc1 ZINC000390064392 345213439 /nfs/dbraw/zinc/21/34/39/345213439.db2.gz YBZULWAFEMTZRX-PLNGDYQASA-N 1 0 233.355 3.148 10 0 BGAERO CC(C)(C)C[NH2+][C@@H]1C[C@H]1c1ccccc1F ZINC000390193586 259382251 /nfs/dbraw/zinc/38/22/51/259382251.db2.gz OJSJCBXUFBLJNI-WCQYABFASA-N 1 0 221.319 3.317 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C(C)C)c(C)n1 ZINC000390286844 539021128 /nfs/dbraw/zinc/02/11/28/539021128.db2.gz XFYIQDCOYQOWIP-AAEUAGOBSA-N 1 0 220.360 3.394 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C(C)C)c(C)n1 ZINC000390286845 539020998 /nfs/dbraw/zinc/02/09/98/539020998.db2.gz XFYIQDCOYQOWIP-DGCLKSJQSA-N 1 0 220.360 3.394 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C(C)C)c(C)n1 ZINC000390286846 539021058 /nfs/dbraw/zinc/02/10/58/539021058.db2.gz XFYIQDCOYQOWIP-WCQYABFASA-N 1 0 220.360 3.394 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C(C)C)c(C)n1 ZINC000390286847 539021245 /nfs/dbraw/zinc/02/12/45/539021245.db2.gz XFYIQDCOYQOWIP-YPMHNXCESA-N 1 0 220.360 3.394 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000390307281 539020948 /nfs/dbraw/zinc/02/09/48/539020948.db2.gz DYZDXQNCWOCLGN-IHRRRGAJSA-N 1 0 225.376 3.014 10 0 BGAERO CC(C)=CCC[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000390307285 537791700 /nfs/dbraw/zinc/79/17/00/537791700.db2.gz DYZDXQNCWOCLGN-MJBXVCDLSA-N 1 0 225.376 3.014 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCCC[C@@H]1O ZINC000390403014 323084435 /nfs/dbraw/zinc/08/44/35/323084435.db2.gz ALMCNPIXBYLFNW-FQUUOJAGSA-N 1 0 227.392 3.094 10 0 BGAERO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[C@H]1C1CCCCC1 ZINC000390425284 357092505 /nfs/dbraw/zinc/09/25/05/357092505.db2.gz MBAKWMYJKGJNFY-RZFFKMDDSA-N 1 0 221.388 3.448 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC(C)(C)COC ZINC000390455506 259389894 /nfs/dbraw/zinc/38/98/94/259389894.db2.gz COIFKOZSIKMQQF-CHWSQXEVSA-N 1 0 227.392 3.217 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC(C)(C)COC ZINC000390455507 259389836 /nfs/dbraw/zinc/38/98/36/259389836.db2.gz COIFKOZSIKMQQF-OLZOCXBDSA-N 1 0 227.392 3.217 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CC(C)(C)COC ZINC000390455508 259389818 /nfs/dbraw/zinc/38/98/18/259389818.db2.gz COIFKOZSIKMQQF-QWHCGFSZSA-N 1 0 227.392 3.217 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CC(C)(C)COC ZINC000390455509 259389708 /nfs/dbraw/zinc/38/97/08/259389708.db2.gz COIFKOZSIKMQQF-STQMWFEESA-N 1 0 227.392 3.217 10 0 BGAERO CCC(C)(C)CC[NH2+][C@H](C)c1ncc(C)o1 ZINC000390459874 539022135 /nfs/dbraw/zinc/02/21/35/539022135.db2.gz FHCRVQAEVCSJLZ-LLVKDONJSA-N 1 0 224.348 3.460 10 0 BGAERO CCC(C)(C)CC[NH2+][C@@H](C)c1ncc(C)o1 ZINC000390459875 539022029 /nfs/dbraw/zinc/02/20/29/539022029.db2.gz FHCRVQAEVCSJLZ-NSHDSACASA-N 1 0 224.348 3.460 10 0 BGAERO Clc1cc(C[NH2+]C2CC2)c2ccccc2n1 ZINC000390467615 356677497 /nfs/dbraw/zinc/67/74/97/356677497.db2.gz GEDPJOHBYMKZPR-UHFFFAOYSA-N 1 0 232.714 3.140 10 0 BGAERO Cc1cc([C@H](C)[NH2+]CC2(F)CC2)ccc1F ZINC000390476792 539021948 /nfs/dbraw/zinc/02/19/48/539021948.db2.gz LCFZMOPNWRFAIZ-JTQLQIEISA-N 1 0 225.282 3.287 10 0 BGAERO Cc1cc([C@@H](C)[NH2+]CC2(F)CC2)ccc1F ZINC000390476794 539022328 /nfs/dbraw/zinc/02/23/28/539022328.db2.gz LCFZMOPNWRFAIZ-SNVBAGLBSA-N 1 0 225.282 3.287 10 0 BGAERO CCSCC[NH2+][C@H](C)c1cc(F)ccc1F ZINC000390509971 371210619 /nfs/dbraw/zinc/21/06/19/371210619.db2.gz YTAZAUIASFFEPH-SECBINFHSA-N 1 0 245.338 3.369 10 0 BGAERO CCSCC[NH2+][C@@H](C)c1cc(F)ccc1F ZINC000390509973 371210420 /nfs/dbraw/zinc/21/04/20/371210420.db2.gz YTAZAUIASFFEPH-VIFPVBQESA-N 1 0 245.338 3.369 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000390542680 539026018 /nfs/dbraw/zinc/02/60/18/539026018.db2.gz LWEBISWMBPZCKL-HZSPNIEDSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000390542682 539026053 /nfs/dbraw/zinc/02/60/53/539026053.db2.gz LWEBISWMBPZCKL-MCIONIFRSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000390542683 539026229 /nfs/dbraw/zinc/02/62/29/539026229.db2.gz LWEBISWMBPZCKL-MGPQQGTHSA-N 1 0 225.376 3.114 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000390542685 541372498 /nfs/dbraw/zinc/37/24/98/541372498.db2.gz LWEBISWMBPZCKL-RDBSUJKOSA-N 1 0 225.376 3.114 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1CC[C@H](C(C)C)[C@H](C)C1 ZINC000390546495 259393193 /nfs/dbraw/zinc/39/31/93/259393193.db2.gz MZSNQOQXKODVCS-AAVRWANBSA-N 1 0 227.392 3.072 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1CC[C@@H](C(C)C)[C@@H](C)C1 ZINC000390546498 259393017 /nfs/dbraw/zinc/39/30/17/259393017.db2.gz MZSNQOQXKODVCS-DGAVXFQQSA-N 1 0 227.392 3.072 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1CC[C@H](C(C)C)[C@@H](C)C1 ZINC000390546500 259393149 /nfs/dbraw/zinc/39/31/49/259393149.db2.gz MZSNQOQXKODVCS-REWJHTLYSA-N 1 0 227.392 3.072 10 0 BGAERO CO[C@H](C)C[NH2+][C@@H]1CC[C@@H](C(C)C)[C@H](C)C1 ZINC000390546503 259392976 /nfs/dbraw/zinc/39/29/76/259392976.db2.gz MZSNQOQXKODVCS-SYQHCUMBSA-N 1 0 227.392 3.072 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)COCc1ccccc1)C1CC1 ZINC000390548444 259393024 /nfs/dbraw/zinc/39/30/24/259393024.db2.gz AJRIQFBZZZIUPW-BBRMVZONSA-N 1 0 247.382 3.370 10 0 BGAERO CC[C@H]([NH2+][C@H](C)COCc1ccccc1)C1CC1 ZINC000390548445 259393255 /nfs/dbraw/zinc/39/32/55/259393255.db2.gz AJRIQFBZZZIUPW-CJNGLKHVSA-N 1 0 247.382 3.370 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)COCc1ccccc1)C1CC1 ZINC000390548446 259393234 /nfs/dbraw/zinc/39/32/34/259393234.db2.gz AJRIQFBZZZIUPW-CZUORRHYSA-N 1 0 247.382 3.370 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)COCc1ccccc1)C1CC1 ZINC000390548447 259392974 /nfs/dbraw/zinc/39/29/74/259392974.db2.gz AJRIQFBZZZIUPW-XJKSGUPXSA-N 1 0 247.382 3.370 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@H]1C ZINC000390553086 259393266 /nfs/dbraw/zinc/39/32/66/259393266.db2.gz FCYVRQPQNIHSIB-DSJMHWKBSA-N 1 0 247.382 3.226 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@@H]1C ZINC000390553087 259393272 /nfs/dbraw/zinc/39/32/72/259393272.db2.gz FCYVRQPQNIHSIB-HGTKMLMNSA-N 1 0 247.382 3.226 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@@H](C)[C@H]1C ZINC000390553089 259393039 /nfs/dbraw/zinc/39/30/39/259393039.db2.gz FCYVRQPQNIHSIB-IXYNUQLISA-N 1 0 247.382 3.226 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1C[C@H](C)[C@@H]1C ZINC000390553090 259393041 /nfs/dbraw/zinc/39/30/41/259393041.db2.gz FCYVRQPQNIHSIB-KNCOVGOOSA-N 1 0 247.382 3.226 10 0 BGAERO C[C@@H](COCc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000390557997 539026303 /nfs/dbraw/zinc/02/63/03/539026303.db2.gz JLEHSJWLLLNGDI-DZGCQCFKSA-N 1 0 247.382 3.370 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000390558001 539026311 /nfs/dbraw/zinc/02/63/11/539026311.db2.gz JLEHSJWLLLNGDI-HIFRSBDPSA-N 1 0 247.382 3.370 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+][C@@H]1CCC1(C)C ZINC000390558004 539026341 /nfs/dbraw/zinc/02/63/41/539026341.db2.gz JLEHSJWLLLNGDI-UKRRQHHQSA-N 1 0 247.382 3.370 10 0 BGAERO C[C@@H](COCc1ccccc1)[NH2+][C@H]1CCC1(C)C ZINC000390558010 539026510 /nfs/dbraw/zinc/02/65/10/539026510.db2.gz JLEHSJWLLLNGDI-ZFWWWQNUSA-N 1 0 247.382 3.370 10 0 BGAERO CCC1CCC([NH2+][C@@H](C)COC(C)C)CC1 ZINC000390574206 259394159 /nfs/dbraw/zinc/39/41/59/259394159.db2.gz VSATUIJDCRENHF-HSBZDZAISA-N 1 0 227.392 3.358 10 0 BGAERO CCC1CCC([NH2+][C@H](C)COC(C)C)CC1 ZINC000390574207 259394233 /nfs/dbraw/zinc/39/42/33/259394233.db2.gz VSATUIJDCRENHF-IYXRBSQSSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH2+]CCN(CC)C(C)C)C(C)(C)C ZINC000390644979 323188382 /nfs/dbraw/zinc/18/83/82/323188382.db2.gz NSJMXXPYDATELR-CYBMUJFWSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@H]([NH2+]CCN(CC)C(C)C)C(C)(C)C ZINC000390644980 259396419 /nfs/dbraw/zinc/39/64/19/259396419.db2.gz NSJMXXPYDATELR-ZDUSSCGKSA-N 1 0 228.424 3.131 10 0 BGAERO CC[C@@H]([NH2+]CCCC(C)(C)CO)C(C)(C)C ZINC000390648991 259396741 /nfs/dbraw/zinc/39/67/41/259396741.db2.gz OQCMYCVRXRYJOU-GFCCVEGCSA-N 1 0 229.408 3.199 10 0 BGAERO CC[C@H]([NH2+]CCCC(C)(C)CO)C(C)(C)C ZINC000390648995 259397047 /nfs/dbraw/zinc/39/70/47/259397047.db2.gz OQCMYCVRXRYJOU-LBPRGKRZSA-N 1 0 229.408 3.199 10 0 BGAERO CO[C@@H](C)C[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000390656271 323188502 /nfs/dbraw/zinc/18/85/02/323188502.db2.gz QWDZGQKFEVAJOD-KBPBESRZSA-N 1 0 227.392 3.384 10 0 BGAERO CO[C@@H](C)C[NH2+]CC[C@H](C)CCC=C(C)C ZINC000390656274 259396876 /nfs/dbraw/zinc/39/68/76/259396876.db2.gz QWDZGQKFEVAJOD-KGLIPLIRSA-N 1 0 227.392 3.384 10 0 BGAERO CO[C@H](C)C[NH2+]CC[C@@H](C)CCC=C(C)C ZINC000390656277 259396979 /nfs/dbraw/zinc/39/69/79/259396979.db2.gz QWDZGQKFEVAJOD-UONOGXRCSA-N 1 0 227.392 3.384 10 0 BGAERO CO[C@H](C)C[NH2+]CC[C@H](C)CCC=C(C)C ZINC000390656278 259397131 /nfs/dbraw/zinc/39/71/31/259397131.db2.gz QWDZGQKFEVAJOD-ZIAGYGMSSA-N 1 0 227.392 3.384 10 0 BGAERO Cc1nc(C[NH2+][C@@H]2CCC[C@H]2CCF)cs1 ZINC000390666129 539027080 /nfs/dbraw/zinc/02/70/80/539027080.db2.gz UIMPLQYAJVFQOK-CMPLNLGQSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1nc(C[NH2+][C@H]2CCC[C@H]2CCF)cs1 ZINC000390666133 539027076 /nfs/dbraw/zinc/02/70/76/539027076.db2.gz UIMPLQYAJVFQOK-JQWIXIFHSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1nc(C[NH2+][C@H]2CCC[C@@H]2CCF)cs1 ZINC000390666138 539027093 /nfs/dbraw/zinc/02/70/93/539027093.db2.gz UIMPLQYAJVFQOK-PWSUYJOCSA-N 1 0 242.363 3.069 10 0 BGAERO Cc1nc(C[NH2+][C@@H]2CCC[C@@H]2CCF)cs1 ZINC000390666142 539027058 /nfs/dbraw/zinc/02/70/58/539027058.db2.gz UIMPLQYAJVFQOK-ZYHUDNBSSA-N 1 0 242.363 3.069 10 0 BGAERO CCCCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000390753609 385472050 /nfs/dbraw/zinc/47/20/50/385472050.db2.gz FMSMVTCZMXLPMM-CYBMUJFWSA-N 1 0 241.762 3.153 10 0 BGAERO CCCCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000390753610 385471306 /nfs/dbraw/zinc/47/13/06/385471306.db2.gz FMSMVTCZMXLPMM-ZDUSSCGKSA-N 1 0 241.762 3.153 10 0 BGAERO CC[C@@H]([NH2+]CCC(O)(CC)CC)C(C)(C)C ZINC000390753644 259399981 /nfs/dbraw/zinc/39/99/81/259399981.db2.gz FNRKWXHRHSIWSI-GFCCVEGCSA-N 1 0 229.408 3.342 10 0 BGAERO CC[C@H]([NH2+]CCC(O)(CC)CC)C(C)(C)C ZINC000390753645 385471881 /nfs/dbraw/zinc/47/18/81/385471881.db2.gz FNRKWXHRHSIWSI-LBPRGKRZSA-N 1 0 229.408 3.342 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000390764538 357115647 /nfs/dbraw/zinc/11/56/47/357115647.db2.gz PIGPKSYWGQOFEF-CHWSQXEVSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000390764539 357116060 /nfs/dbraw/zinc/11/60/60/357116060.db2.gz PIGPKSYWGQOFEF-OLZOCXBDSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCOC(C)(C)C ZINC000390764541 357116020 /nfs/dbraw/zinc/11/60/20/357116020.db2.gz PIGPKSYWGQOFEF-QWHCGFSZSA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCOC(C)(C)C ZINC000390764748 357116001 /nfs/dbraw/zinc/11/60/01/357116001.db2.gz PIGPKSYWGQOFEF-STQMWFEESA-N 1 0 227.392 3.360 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]CCCOC(F)F ZINC000390773680 398099172 /nfs/dbraw/zinc/09/91/72/398099172.db2.gz YLSYROBHRACYBW-GHMZBOCLSA-N 1 0 235.318 3.174 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]CCCOC(F)F ZINC000390773682 398099169 /nfs/dbraw/zinc/09/91/69/398099169.db2.gz YLSYROBHRACYBW-MNOVXSKESA-N 1 0 235.318 3.174 10 0 BGAERO CCC[C@H]1CCC[C@@H]1[NH2+]CCCOC(F)F ZINC000390773685 398099312 /nfs/dbraw/zinc/09/93/12/398099312.db2.gz YLSYROBHRACYBW-QWRGUYRKSA-N 1 0 235.318 3.174 10 0 BGAERO CCC[C@H]1CCC[C@H]1[NH2+]CCCOC(F)F ZINC000390773687 398099239 /nfs/dbraw/zinc/09/92/39/398099239.db2.gz YLSYROBHRACYBW-WDEREUQCSA-N 1 0 235.318 3.174 10 0 BGAERO CCC(CC)[C@H](O)C[NH2+][C@H](CC)C(C)(C)C ZINC000390780147 385898527 /nfs/dbraw/zinc/89/85/27/385898527.db2.gz IYZDXWBCPFJRSQ-CHWSQXEVSA-N 1 0 229.408 3.198 10 0 BGAERO CCC(CC)[C@H](O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000390780148 385899548 /nfs/dbraw/zinc/89/95/48/385899548.db2.gz IYZDXWBCPFJRSQ-OLZOCXBDSA-N 1 0 229.408 3.198 10 0 BGAERO CCC(CC)[C@@H](O)C[NH2+][C@H](CC)C(C)(C)C ZINC000390780149 259415164 /nfs/dbraw/zinc/41/51/64/259415164.db2.gz IYZDXWBCPFJRSQ-QWHCGFSZSA-N 1 0 229.408 3.198 10 0 BGAERO CCC(CC)[C@@H](O)C[NH2+][C@@H](CC)C(C)(C)C ZINC000390780151 385898889 /nfs/dbraw/zinc/89/88/89/385898889.db2.gz IYZDXWBCPFJRSQ-STQMWFEESA-N 1 0 229.408 3.198 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H](OC)C1(C)C)C(C)(C)C ZINC000390793146 385901988 /nfs/dbraw/zinc/90/19/88/385901988.db2.gz DLZFVCMBMRYDRO-QJPTWQEYSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H](OC)C1(C)C)C(C)(C)C ZINC000390793148 385902968 /nfs/dbraw/zinc/90/29/68/385902968.db2.gz DLZFVCMBMRYDRO-SDDRHHMPSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H](OC)C1(C)C)C(C)(C)C ZINC000390793150 259415675 /nfs/dbraw/zinc/41/56/75/259415675.db2.gz DLZFVCMBMRYDRO-SRVKXCTJSA-N 1 0 227.392 3.214 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H](OC)C1(C)C)C(C)(C)C ZINC000390793151 259415836 /nfs/dbraw/zinc/41/58/36/259415836.db2.gz DLZFVCMBMRYDRO-TUAOUCFPSA-N 1 0 227.392 3.214 10 0 BGAERO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000390801657 635263442 /nfs/dbraw/zinc/26/34/42/635263442.db2.gz ZREOKKFIEKRRFE-CHWSQXEVSA-N 1 0 227.392 3.096 10 0 BGAERO CCC(CC)(CC)C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000390801658 635264731 /nfs/dbraw/zinc/26/47/31/635264731.db2.gz ZREOKKFIEKRRFE-OLZOCXBDSA-N 1 0 227.392 3.096 10 0 BGAERO CCC(CC)(CC)C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000390801659 635266065 /nfs/dbraw/zinc/26/60/65/635266065.db2.gz ZREOKKFIEKRRFE-STQMWFEESA-N 1 0 227.392 3.096 10 0 BGAERO FC1(C[NH2+]CCc2ccccc2)CCCC1 ZINC000390817939 346357374 /nfs/dbraw/zinc/35/73/74/346357374.db2.gz POGWMVCYUMRVRP-UHFFFAOYSA-N 1 0 221.319 3.101 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000390820366 385928412 /nfs/dbraw/zinc/92/84/12/385928412.db2.gz VZEDXEHXTVCFEG-NEPJUHHUSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000390820367 385927999 /nfs/dbraw/zinc/92/79/99/385927999.db2.gz VZEDXEHXTVCFEG-NWDGAFQWSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000390820368 385927235 /nfs/dbraw/zinc/92/72/35/385927235.db2.gz VZEDXEHXTVCFEG-RYUDHWBXSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCOC(C)(C)C1)C(C)(C)C ZINC000390820369 385927984 /nfs/dbraw/zinc/92/79/84/385927984.db2.gz VZEDXEHXTVCFEG-VXGBXAGGSA-N 1 0 227.392 3.358 10 0 BGAERO CCC(CC)(CC)C[NH2+][C@@H]1CCCC[C@H]1O ZINC000391183386 357125772 /nfs/dbraw/zinc/12/57/72/357125772.db2.gz RCONNTZAODNUQX-CHWSQXEVSA-N 1 0 227.392 3.096 10 0 BGAERO CC(C)CC(C)(C)C[NH2+]C[C@@H](O)C(C)(C)C ZINC000391183730 357125430 /nfs/dbraw/zinc/12/54/30/357125430.db2.gz LUBUXDCVKVLWDV-GFCCVEGCSA-N 1 0 229.408 3.055 10 0 BGAERO CC(C)CC(C)(C)C[NH2+]C[C@H](O)C(C)(C)C ZINC000391183732 357125719 /nfs/dbraw/zinc/12/57/19/357125719.db2.gz LUBUXDCVKVLWDV-LBPRGKRZSA-N 1 0 229.408 3.055 10 0 BGAERO CCC(CC)(CC)C[NH2+]C[C@@H]1CCCC[C@@H]1O ZINC000391228309 539027577 /nfs/dbraw/zinc/02/75/77/539027577.db2.gz NSAVYEAJNWCSMM-KBPBESRZSA-N 1 0 241.419 3.344 10 0 BGAERO CCC(CC)(CC)C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000391228310 539027575 /nfs/dbraw/zinc/02/75/75/539027575.db2.gz NSAVYEAJNWCSMM-KGLIPLIRSA-N 1 0 241.419 3.344 10 0 BGAERO CCC(CC)(CC)C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000391228311 539027540 /nfs/dbraw/zinc/02/75/40/539027540.db2.gz NSAVYEAJNWCSMM-UONOGXRCSA-N 1 0 241.419 3.344 10 0 BGAERO CCC(CC)(CC)C[NH2+]C[C@H]1CCCC[C@H]1O ZINC000391228312 539027591 /nfs/dbraw/zinc/02/75/91/539027591.db2.gz NSAVYEAJNWCSMM-ZIAGYGMSSA-N 1 0 241.419 3.344 10 0 BGAERO C/C(=C/c1cc(Cl)cs1)[C@@H](C)[NH3+] ZINC000393321289 351842026 /nfs/dbraw/zinc/84/20/26/351842026.db2.gz GMSXDDOLYBZNOC-FXHNIGACSA-N 1 0 201.722 3.152 10 0 BGAERO C/C(=C/c1cc(Cl)cs1)[C@H](C)[NH3+] ZINC000393321290 351841813 /nfs/dbraw/zinc/84/18/13/351841813.db2.gz GMSXDDOLYBZNOC-NFNQMPKISA-N 1 0 201.722 3.152 10 0 BGAERO [NH3+][C@@H]1CC/C(=C/c2csc(Cl)c2)C1 ZINC000393361910 351951021 /nfs/dbraw/zinc/95/10/21/351951021.db2.gz GIBYMQMFIOIJIA-SEYNBYMXSA-N 1 0 213.733 3.296 10 0 BGAERO [NH3+][C@H]1CC/C(=C/c2csc(Cl)c2)C1 ZINC000393361911 351951213 /nfs/dbraw/zinc/95/12/13/351951213.db2.gz GIBYMQMFIOIJIA-XGLGWPIMSA-N 1 0 213.733 3.296 10 0 BGAERO C/C(=C/CC[NH3+])c1cc(Br)cs1 ZINC000393375333 363496779 /nfs/dbraw/zinc/49/67/79/363496779.db2.gz UGVFBXXJDXSHFQ-CLTKARDFSA-N 1 0 246.173 3.263 10 0 BGAERO Cc1cc(F)ccc1C[NH2+]C1(C(C)C)CC1 ZINC000393419556 357308437 /nfs/dbraw/zinc/30/84/37/357308437.db2.gz CLCYNQWHLUUOJV-UHFFFAOYSA-N 1 0 221.319 3.412 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000393453287 584938267 /nfs/dbraw/zinc/93/82/67/584938267.db2.gz FQPSCEBXNZYBHN-XDQVBPFNSA-N 1 0 227.392 3.094 10 0 BGAERO CC(C)C1([NH2+]CCCc2ccccc2)CC1 ZINC000393482039 343879186 /nfs/dbraw/zinc/87/91/86/343879186.db2.gz JFVIGOVCRHLQBZ-UHFFFAOYSA-N 1 0 217.356 3.397 10 0 BGAERO FCC[C@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000393530868 388433351 /nfs/dbraw/zinc/43/33/51/388433351.db2.gz WXMJAEVNZYOWKX-RFGFWPKPSA-N 1 0 225.351 3.150 10 0 BGAERO FCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000393530869 388433270 /nfs/dbraw/zinc/43/32/70/388433270.db2.gz WXMJAEVNZYOWKX-XDQVBPFNSA-N 1 0 225.351 3.150 10 0 BGAERO FCC[C@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000393530870 388433512 /nfs/dbraw/zinc/43/35/12/388433512.db2.gz WXMJAEVNZYOWKX-ZOBORPQBSA-N 1 0 225.351 3.150 10 0 BGAERO Cc1ccc(/C=C\CC[NH3+])c(Br)c1 ZINC000393571617 352459232 /nfs/dbraw/zinc/45/92/32/352459232.db2.gz ZAYQITLRMHGJGX-RQOWECAXSA-N 1 0 240.144 3.120 10 0 BGAERO C[C@@]1([NH2+]C2CCCC2)C[C@H]1c1ccccc1 ZINC000393574534 357287727 /nfs/dbraw/zinc/28/77/27/357287727.db2.gz UZUAWZMASPGAAH-LSDHHAIUSA-N 1 0 215.340 3.465 10 0 BGAERO C[C@@H]([NH2+][C@]1(C)C[C@H]1c1ccccc1)C1CC1 ZINC000393575745 343894407 /nfs/dbraw/zinc/89/44/07/343894407.db2.gz VYKZABGTFAFLSR-BYCMXARLSA-N 1 0 215.340 3.321 10 0 BGAERO CC1CCC(C[NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000393608677 259358206 /nfs/dbraw/zinc/35/82/06/259358206.db2.gz AVNCCPJPXQPFEL-UHFFFAOYSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@@H]([NH2+]CCc1ccco1)C(C)(C)C ZINC000393618377 259361584 /nfs/dbraw/zinc/36/15/84/259361584.db2.gz IUSCXAURMPLISX-GFCCVEGCSA-N 1 0 209.333 3.236 10 0 BGAERO CC[C@H]([NH2+]CCc1ccco1)C(C)(C)C ZINC000393618380 259361597 /nfs/dbraw/zinc/36/15/97/259361597.db2.gz IUSCXAURMPLISX-LBPRGKRZSA-N 1 0 209.333 3.236 10 0 BGAERO CC1CCC(C[NH2+]C(C)(C)C(F)F)CC1 ZINC000393630106 583089508 /nfs/dbraw/zinc/08/95/08/583089508.db2.gz IBXILXCAYOKQCI-UHFFFAOYSA-N 1 0 219.319 3.446 10 0 BGAERO CC(C)(C[NH2+][C@@H]1CCC1(C)C)C(F)(F)F ZINC000393634668 357291450 /nfs/dbraw/zinc/29/14/50/357291450.db2.gz WMZNXZMGGBYIMW-MRVPVSSYSA-N 1 0 223.282 3.353 10 0 BGAERO CC(C)(C[NH2+][C@H]1CCC1(C)C)C(F)(F)F ZINC000393634669 357291696 /nfs/dbraw/zinc/29/16/96/357291696.db2.gz WMZNXZMGGBYIMW-QMMMGPOBSA-N 1 0 223.282 3.353 10 0 BGAERO C[NH2+][C@H](C)/C(C)=C\c1ccccc1Cl ZINC000393677231 353004456 /nfs/dbraw/zinc/00/44/56/353004456.db2.gz YORLWSNXTIJFAZ-HSTULFTRSA-N 1 0 209.720 3.351 10 0 BGAERO C[NH2+][C@@H](C)/C(C)=C\c1ccccc1Cl ZINC000393677233 353004169 /nfs/dbraw/zinc/00/41/69/353004169.db2.gz YORLWSNXTIJFAZ-QROTZFDESA-N 1 0 209.720 3.351 10 0 BGAERO CC1(C)C[NH2+]CC/C1=C/c1ccsc1 ZINC000393681378 353020632 /nfs/dbraw/zinc/02/06/32/353020632.db2.gz DRFFLJQFUGALOB-XFFZJAGNSA-N 1 0 207.342 3.151 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000393739248 582920711 /nfs/dbraw/zinc/92/07/11/582920711.db2.gz FQPSCEBXNZYBHN-FQUUOJAGSA-N 1 0 227.392 3.094 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000393739251 582921054 /nfs/dbraw/zinc/92/10/54/582921054.db2.gz FQPSCEBXNZYBHN-IGQOVBAYSA-N 1 0 227.392 3.094 10 0 BGAERO CCCC[C@H](C)[C@H](C)[NH2+][C@H]1CCC[C@H](O)C1 ZINC000393739254 582920922 /nfs/dbraw/zinc/92/09/22/582920922.db2.gz FQPSCEBXNZYBHN-XUXIUFHCSA-N 1 0 227.392 3.094 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000393749471 387951686 /nfs/dbraw/zinc/95/16/86/387951686.db2.gz QBHCHJYIKROWLJ-CRWXNKLISA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000393749472 387951366 /nfs/dbraw/zinc/95/13/66/387951366.db2.gz QBHCHJYIKROWLJ-DGAVXFQQSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CCO[C@H](C)C1 ZINC000393749473 387951462 /nfs/dbraw/zinc/95/14/62/387951462.db2.gz QBHCHJYIKROWLJ-MQYQWHSLSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000393749474 387951401 /nfs/dbraw/zinc/95/14/01/387951401.db2.gz QBHCHJYIKROWLJ-SYQHCUMBSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@@H]([NH2+]CC(C)(C)CCOC)C(C)(C)C ZINC000393750077 387954742 /nfs/dbraw/zinc/95/47/42/387954742.db2.gz BOKLNGYPXMLVCN-GFCCVEGCSA-N 1 0 229.408 3.463 10 0 BGAERO CC[C@H]([NH2+]CC(C)(C)CCOC)C(C)(C)C ZINC000393750079 387955355 /nfs/dbraw/zinc/95/53/55/387955355.db2.gz BOKLNGYPXMLVCN-LBPRGKRZSA-N 1 0 229.408 3.463 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](OC)C(C)C ZINC000393800953 388406922 /nfs/dbraw/zinc/40/69/22/388406922.db2.gz MQQCTTRQRLIIDS-HZSPNIEDSA-N 1 0 227.392 3.216 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@H](OC)C(C)C ZINC000393800954 259689188 /nfs/dbraw/zinc/68/91/88/259689188.db2.gz MQQCTTRQRLIIDS-MCIONIFRSA-N 1 0 227.392 3.216 10 0 BGAERO CCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](OC)C(C)C ZINC000393800955 388406579 /nfs/dbraw/zinc/40/65/79/388406579.db2.gz MQQCTTRQRLIIDS-MGPQQGTHSA-N 1 0 227.392 3.216 10 0 BGAERO CCC[C@@H]1CCC[C@@H]1[NH2+]C[C@H](OC)C(C)C ZINC000393800956 388406479 /nfs/dbraw/zinc/40/64/79/388406479.db2.gz MQQCTTRQRLIIDS-RDBSUJKOSA-N 1 0 227.392 3.216 10 0 BGAERO CC(C)(C[NH2+]C(C1CC1)C1CC1)C(F)(F)F ZINC000393820519 357302396 /nfs/dbraw/zinc/30/23/96/357302396.db2.gz KFHCMLMYEDKJAZ-UHFFFAOYSA-N 1 0 235.293 3.353 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1CC[C@@H](c2ccccc2)O1 ZINC000393839305 487587364 /nfs/dbraw/zinc/58/73/64/487587364.db2.gz TUQFJZKGJHOGCO-GJZGRUSLSA-N 1 0 233.355 3.152 10 0 BGAERO CC(C)C[NH2+]C[C@@H]1CC[C@H](c2ccccc2)O1 ZINC000393839308 487587458 /nfs/dbraw/zinc/58/74/58/487587458.db2.gz TUQFJZKGJHOGCO-LSDHHAIUSA-N 1 0 233.355 3.152 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@@H](C)CC(C)(C)C1)C(C)(C)O ZINC000394005070 350692609 /nfs/dbraw/zinc/69/26/09/350692609.db2.gz OYMUQTMYMBKQJS-AGIUHOORSA-N 1 0 241.419 3.340 10 0 BGAERO CC[C@H]([NH2+][C@H]1C[C@H](C)CC(C)(C)C1)C(C)(C)O ZINC000394005071 350692657 /nfs/dbraw/zinc/69/26/57/350692657.db2.gz OYMUQTMYMBKQJS-AVGNSLFASA-N 1 0 241.419 3.340 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1)C(C)(C)O ZINC000394005072 350692650 /nfs/dbraw/zinc/69/26/50/350692650.db2.gz OYMUQTMYMBKQJS-UPJWGTAASA-N 1 0 241.419 3.340 10 0 BGAERO CC[C@H]([NH2+][C@@H]1C[C@H](C)CC(C)(C)C1)C(C)(C)O ZINC000394005073 350692407 /nfs/dbraw/zinc/69/24/07/350692407.db2.gz OYMUQTMYMBKQJS-XQQFMLRXSA-N 1 0 241.419 3.340 10 0 BGAERO CC(C)CCC[NH2+][C@@H](CN(C)C)c1ccccc1 ZINC000394031929 582943543 /nfs/dbraw/zinc/94/35/43/582943543.db2.gz QMUCAOONGAVOEQ-INIZCTEOSA-N 1 0 248.414 3.315 10 0 BGAERO CC(C)CCC[NH2+][C@H](CN(C)C)c1ccccc1 ZINC000394031931 582943573 /nfs/dbraw/zinc/94/35/73/582943573.db2.gz QMUCAOONGAVOEQ-MRXNPFEDSA-N 1 0 248.414 3.315 10 0 BGAERO C[NH2+][C@H](C)/C(C)=C\c1sccc1Cl ZINC000394049206 356212623 /nfs/dbraw/zinc/21/26/23/356212623.db2.gz LMTYRRPXZFUNDZ-NFXKFNAJSA-N 1 0 215.749 3.413 10 0 BGAERO C[NH2+][C@@H](C)/C(C)=C\c1sccc1Cl ZINC000394049211 356212845 /nfs/dbraw/zinc/21/28/45/356212845.db2.gz LMTYRRPXZFUNDZ-UAPHAKCISA-N 1 0 215.749 3.413 10 0 BGAERO CC(C)[C@H](CO)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000394124236 357323349 /nfs/dbraw/zinc/32/33/49/357323349.db2.gz YKQYNXVTSPMODV-HZSPNIEDSA-N 1 0 241.419 3.055 10 0 BGAERO CC(C)[C@@H](CO)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000394124238 357324811 /nfs/dbraw/zinc/32/48/11/357324811.db2.gz YKQYNXVTSPMODV-MCIONIFRSA-N 1 0 241.419 3.055 10 0 BGAERO CC(C)[C@@H](CO)C[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000394124240 357324665 /nfs/dbraw/zinc/32/46/65/357324665.db2.gz YKQYNXVTSPMODV-MGPQQGTHSA-N 1 0 241.419 3.055 10 0 BGAERO CC(C)[C@H](CO)C[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000394124243 357324560 /nfs/dbraw/zinc/32/45/60/357324560.db2.gz YKQYNXVTSPMODV-RDBSUJKOSA-N 1 0 241.419 3.055 10 0 BGAERO CC[C@@H]([NH2+]CC[C@@H]1CCCO1)c1ccsc1 ZINC000394429450 410795963 /nfs/dbraw/zinc/79/59/63/410795963.db2.gz JCWWJMAQVXZHLD-QWHCGFSZSA-N 1 0 239.384 3.358 10 0 BGAERO CC[C@H]([NH2+]CC[C@@H]1CCCO1)c1ccsc1 ZINC000394429452 410794578 /nfs/dbraw/zinc/79/45/78/410794578.db2.gz JCWWJMAQVXZHLD-STQMWFEESA-N 1 0 239.384 3.358 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCC[C@H]1O)c1ccsc1 ZINC000394450898 259354203 /nfs/dbraw/zinc/35/42/03/259354203.db2.gz YUCSQLBFKCHDLH-RWMBFGLXSA-N 1 0 239.384 3.092 10 0 BGAERO C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[C@H](O)C1 ZINC000394460116 410403935 /nfs/dbraw/zinc/40/39/35/410403935.db2.gz UJUPLKDNRSCXBA-FMKPAKJESA-N 1 0 247.382 3.231 10 0 BGAERO C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCC[C@@H](O)C1 ZINC000394460120 410798856 /nfs/dbraw/zinc/79/88/56/410798856.db2.gz UJUPLKDNRSCXBA-IIAWOOMASA-N 1 0 247.382 3.231 10 0 BGAERO C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCC[C@@H](O)C1 ZINC000394460122 410798379 /nfs/dbraw/zinc/79/83/79/410798379.db2.gz UJUPLKDNRSCXBA-IJEWVQPXSA-N 1 0 247.382 3.231 10 0 BGAERO C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCC[C@H](O)C1 ZINC000394460125 410797810 /nfs/dbraw/zinc/79/78/10/410797810.db2.gz UJUPLKDNRSCXBA-YCPHGPKFSA-N 1 0 247.382 3.231 10 0 BGAERO CC[C@@H]1CCC[C@H](C[NH2+][C@H](CO)CC(C)C)C1 ZINC000394524415 582991517 /nfs/dbraw/zinc/99/15/17/582991517.db2.gz RMSQREFIOVBMBV-ILXRZTDVSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@H](CO)CC(C)C)C1 ZINC000394524417 582991583 /nfs/dbraw/zinc/99/15/83/582991583.db2.gz RMSQREFIOVBMBV-KFWWJZLASA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@@H]1CCC[C@H](C[NH2+][C@@H](CO)CC(C)C)C1 ZINC000394524419 582991506 /nfs/dbraw/zinc/99/15/06/582991506.db2.gz RMSQREFIOVBMBV-QLFBSQMISA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@@H]1CCC[C@@H](C[NH2+][C@@H](CO)CC(C)C)C1 ZINC000394524421 582991884 /nfs/dbraw/zinc/99/18/84/582991884.db2.gz RMSQREFIOVBMBV-RBSFLKMASA-N 1 0 241.419 3.199 10 0 BGAERO O[C@H]1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000394568146 583037095 /nfs/dbraw/zinc/03/70/95/583037095.db2.gz KAQCMXVNEDNQFO-CABCVRRESA-N 1 0 239.403 3.240 10 0 BGAERO O[C@H]1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000394568148 582993695 /nfs/dbraw/zinc/99/36/95/582993695.db2.gz KAQCMXVNEDNQFO-GJZGRUSLSA-N 1 0 239.403 3.240 10 0 BGAERO O[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC000394568150 582993518 /nfs/dbraw/zinc/99/35/18/582993518.db2.gz KAQCMXVNEDNQFO-HUUCEWRRSA-N 1 0 239.403 3.240 10 0 BGAERO O[C@@H]1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC000394568151 582994184 /nfs/dbraw/zinc/99/41/84/582994184.db2.gz KAQCMXVNEDNQFO-LSDHHAIUSA-N 1 0 239.403 3.240 10 0 BGAERO O[C@H]1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC000394586802 583073011 /nfs/dbraw/zinc/07/30/11/583073011.db2.gz VKIBXEWZJFXTHO-GJZGRUSLSA-N 1 0 239.403 3.098 10 0 BGAERO O[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC000394586804 583072838 /nfs/dbraw/zinc/07/28/38/583072838.db2.gz VKIBXEWZJFXTHO-HUUCEWRRSA-N 1 0 239.403 3.098 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+]CCC1CCCCCC1 ZINC000394628819 583003483 /nfs/dbraw/zinc/00/34/83/583003483.db2.gz OVQXJFNVFXVGFB-AWEZNQCLSA-N 1 0 241.419 3.344 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+]CCC1CCCCCC1 ZINC000394628820 583003206 /nfs/dbraw/zinc/00/32/06/583003206.db2.gz OVQXJFNVFXVGFB-CQSZACIVSA-N 1 0 241.419 3.344 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000394718320 323092110 /nfs/dbraw/zinc/09/21/10/323092110.db2.gz DAMYMDSDXCGOQX-AGIUHOORSA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000394718324 323092078 /nfs/dbraw/zinc/09/20/78/323092078.db2.gz DAMYMDSDXCGOQX-FRRDWIJNSA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCC12CCC2 ZINC000394718331 323092123 /nfs/dbraw/zinc/09/21/23/323092123.db2.gz DAMYMDSDXCGOQX-JHJVBQTASA-N 1 0 207.361 3.487 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCC12CCC2 ZINC000394718340 323092077 /nfs/dbraw/zinc/09/20/77/323092077.db2.gz DAMYMDSDXCGOQX-UPJWGTAASA-N 1 0 207.361 3.487 10 0 BGAERO Cc1cccc(C[NH2+][C@H](C)C(C)C)c1F ZINC000395014721 323185113 /nfs/dbraw/zinc/18/51/13/323185113.db2.gz VWVRQFVTHYLSOH-LLVKDONJSA-N 1 0 209.308 3.268 10 0 BGAERO Cc1cccc(C[NH2+][C@@H](C)C(C)C)c1F ZINC000395014722 323185119 /nfs/dbraw/zinc/18/51/19/323185119.db2.gz VWVRQFVTHYLSOH-NSHDSACASA-N 1 0 209.308 3.268 10 0 BGAERO O[C@H]1CCC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000395155779 583046099 /nfs/dbraw/zinc/04/60/99/583046099.db2.gz QGXLBYYDGQZJMK-CABCVRRESA-N 1 0 239.403 3.240 10 0 BGAERO O[C@H]1CCC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000395155781 583046141 /nfs/dbraw/zinc/04/61/41/583046141.db2.gz QGXLBYYDGQZJMK-GJZGRUSLSA-N 1 0 239.403 3.240 10 0 BGAERO O[C@@H]1CCC[C@@H]([NH2+]CCCC2CCCCC2)C1 ZINC000395155785 583046285 /nfs/dbraw/zinc/04/62/85/583046285.db2.gz QGXLBYYDGQZJMK-HUUCEWRRSA-N 1 0 239.403 3.240 10 0 BGAERO O[C@@H]1CCC[C@H]([NH2+]CCCC2CCCCC2)C1 ZINC000395155787 583046137 /nfs/dbraw/zinc/04/61/37/583046137.db2.gz QGXLBYYDGQZJMK-LSDHHAIUSA-N 1 0 239.403 3.240 10 0 BGAERO CC(C)C[C@@H](CO)[NH2+]CCCC1CCCCC1 ZINC000395170984 344118708 /nfs/dbraw/zinc/11/87/08/344118708.db2.gz MMQHUWUKVOXAEO-HNNXBMFYSA-N 1 0 241.419 3.344 10 0 BGAERO CC(C)C[C@H](CO)[NH2+]CCCC1CCCCC1 ZINC000395170990 344118563 /nfs/dbraw/zinc/11/85/63/344118563.db2.gz MMQHUWUKVOXAEO-OAHLLOKOSA-N 1 0 241.419 3.344 10 0 BGAERO CC(C)(C)[C@@H](O)C[NH2+]CCCC1CCCCC1 ZINC000395174177 583047608 /nfs/dbraw/zinc/04/76/08/583047608.db2.gz OEYMNHPEPWUMMW-AWEZNQCLSA-N 1 0 241.419 3.344 10 0 BGAERO CC(C)(C)[C@H](O)C[NH2+]CCCC1CCCCC1 ZINC000395174180 583656525 /nfs/dbraw/zinc/65/65/25/583656525.db2.gz OEYMNHPEPWUMMW-CQSZACIVSA-N 1 0 241.419 3.344 10 0 BGAERO CC(C)c1cccc(F)c1C[NH2+]C1CC1 ZINC000395174379 344118793 /nfs/dbraw/zinc/11/87/93/344118793.db2.gz YJPLROSGRTZDMW-UHFFFAOYSA-N 1 0 207.292 3.201 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]C2CC(C)(C)C2)c1C ZINC000395190246 357416586 /nfs/dbraw/zinc/41/65/86/357416586.db2.gz XAWQLYCFHZIKAE-JTQLQIEISA-N 1 0 249.402 3.359 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]C2CC(C)(C)C2)c1C ZINC000395190247 357416725 /nfs/dbraw/zinc/41/67/25/357416725.db2.gz XAWQLYCFHZIKAE-SNVBAGLBSA-N 1 0 249.402 3.359 10 0 BGAERO CN(C)C[C@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000395196245 262768348 /nfs/dbraw/zinc/76/83/48/262768348.db2.gz CPKVBWUMGUGPEF-HNNXBMFYSA-N 1 0 246.398 3.068 10 0 BGAERO CN(C)C[C@@H]([NH2+]C1CC(C)(C)C1)c1ccccc1 ZINC000395196248 262768504 /nfs/dbraw/zinc/76/85/04/262768504.db2.gz CPKVBWUMGUGPEF-OAHLLOKOSA-N 1 0 246.398 3.068 10 0 BGAERO C[C@H](COCc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000395217781 262784703 /nfs/dbraw/zinc/78/47/03/262784703.db2.gz PEOCSADGXUPXML-CYBMUJFWSA-N 1 0 247.382 3.370 10 0 BGAERO C[C@@H](COCc1ccccc1)[NH2+]C1CC(C)(C)C1 ZINC000395217788 262784687 /nfs/dbraw/zinc/78/46/87/262784687.db2.gz PEOCSADGXUPXML-ZDUSSCGKSA-N 1 0 247.382 3.370 10 0 BGAERO Cc1cc(-c2ccc3c(c2)CCO3)ccc1C[NH3+] ZINC000395337816 362473370 /nfs/dbraw/zinc/47/33/70/362473370.db2.gz XNCUBQLQPNXPNJ-UHFFFAOYSA-N 1 0 239.318 3.056 10 0 BGAERO COc1ccc(-c2ccc(C[NH3+])c(C)c2)c(C)c1 ZINC000395348360 362481589 /nfs/dbraw/zinc/48/15/89/362481589.db2.gz GBTBJGHGOVFCJT-UHFFFAOYSA-N 1 0 241.334 3.438 10 0 BGAERO COCCC[C@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000395433038 386834814 /nfs/dbraw/zinc/83/48/14/386834814.db2.gz GAVCAUPWDFCBJJ-KBPBESRZSA-N 1 0 235.371 3.461 10 0 BGAERO COCCC[C@@H](C)[NH2+][C@@H](C)c1cccc(C)c1 ZINC000395433041 386834789 /nfs/dbraw/zinc/83/47/89/386834789.db2.gz GAVCAUPWDFCBJJ-KGLIPLIRSA-N 1 0 235.371 3.461 10 0 BGAERO COCCC[C@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000395433043 262788270 /nfs/dbraw/zinc/78/82/70/262788270.db2.gz GAVCAUPWDFCBJJ-UONOGXRCSA-N 1 0 235.371 3.461 10 0 BGAERO COCCC[C@@H](C)[NH2+][C@H](C)c1cccc(C)c1 ZINC000395433044 386834947 /nfs/dbraw/zinc/83/49/47/386834947.db2.gz GAVCAUPWDFCBJJ-ZIAGYGMSSA-N 1 0 235.371 3.461 10 0 BGAERO Cc1cc(C[NH2+][C@H]2CC23CCCC3)cc(C)c1O ZINC000395633733 357448987 /nfs/dbraw/zinc/44/89/87/357448987.db2.gz FINHACYAGUBTGD-AWEZNQCLSA-N 1 0 245.366 3.431 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2CC23CCCC3)cc(C)c1O ZINC000395633737 357448945 /nfs/dbraw/zinc/44/89/45/357448945.db2.gz FINHACYAGUBTGD-CQSZACIVSA-N 1 0 245.366 3.431 10 0 BGAERO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000396109613 487900462 /nfs/dbraw/zinc/90/04/62/487900462.db2.gz VENVYTFMFWNJAA-ILXRZTDVSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000396109616 487900513 /nfs/dbraw/zinc/90/05/13/487900513.db2.gz VENVYTFMFWNJAA-KFWWJZLASA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000396109617 487900374 /nfs/dbraw/zinc/90/03/74/487900374.db2.gz VENVYTFMFWNJAA-KKUMJFAQSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000396109620 487900452 /nfs/dbraw/zinc/90/04/52/487900452.db2.gz VENVYTFMFWNJAA-ZNMIVQPWSA-N 1 0 239.403 3.048 10 0 BGAERO Cc1ccc(-c2cccc(C[C@H](C)[NH3+])c2)o1 ZINC000396127414 362809806 /nfs/dbraw/zinc/80/98/06/362809806.db2.gz INKPPUBKDAMVNC-JTQLQIEISA-N 1 0 215.296 3.145 10 0 BGAERO Cc1ccc(-c2cccc(C[C@@H](C)[NH3+])c2)o1 ZINC000396127415 362809634 /nfs/dbraw/zinc/80/96/34/362809634.db2.gz INKPPUBKDAMVNC-SNVBAGLBSA-N 1 0 215.296 3.145 10 0 BGAERO Cc1ccc(-c2ccc(C[C@H](C)[NH3+])cc2)o1 ZINC000396138062 388177248 /nfs/dbraw/zinc/17/72/48/388177248.db2.gz FMDGKVPRZHKIHI-JTQLQIEISA-N 1 0 215.296 3.145 10 0 BGAERO Cc1ccc(-c2ccc(C[C@@H](C)[NH3+])cc2)o1 ZINC000396138067 388177287 /nfs/dbraw/zinc/17/72/87/388177287.db2.gz FMDGKVPRZHKIHI-SNVBAGLBSA-N 1 0 215.296 3.145 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCCCC[C@H]1O)c1ccccc1 ZINC000396422176 357490726 /nfs/dbraw/zinc/49/07/26/357490726.db2.gz ISHVJFVNKYSCBA-BZUAXINKSA-N 1 0 247.382 3.421 10 0 BGAERO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000396571969 386780503 /nfs/dbraw/zinc/78/05/03/386780503.db2.gz OGUIEBIJGRKPDV-DZKIICNBSA-N 1 0 246.398 3.095 10 0 BGAERO Cc1ccc([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000396571971 386781365 /nfs/dbraw/zinc/78/13/65/386781365.db2.gz OGUIEBIJGRKPDV-LZWOXQAQSA-N 1 0 246.398 3.095 10 0 BGAERO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000396571973 386781180 /nfs/dbraw/zinc/78/11/80/386781180.db2.gz OGUIEBIJGRKPDV-OFQRWUPVSA-N 1 0 246.398 3.095 10 0 BGAERO Cc1ccc([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000396571974 386781220 /nfs/dbraw/zinc/78/12/20/386781220.db2.gz OGUIEBIJGRKPDV-SQWLQELKSA-N 1 0 246.398 3.095 10 0 BGAERO CC[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccc(C)cc1 ZINC000396610748 262814141 /nfs/dbraw/zinc/81/41/41/262814141.db2.gz DSZCEIIYDNTTDJ-BPUTZDHNSA-N 1 0 246.398 3.176 10 0 BGAERO CC[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccc(C)cc1 ZINC000396610756 387348377 /nfs/dbraw/zinc/34/83/77/387348377.db2.gz DSZCEIIYDNTTDJ-CWRNSKLLSA-N 1 0 246.398 3.176 10 0 BGAERO CC[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccc(C)cc1 ZINC000396610763 387347629 /nfs/dbraw/zinc/34/76/29/387347629.db2.gz DSZCEIIYDNTTDJ-KBMXLJTQSA-N 1 0 246.398 3.176 10 0 BGAERO CC[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccc(C)cc1 ZINC000396610768 387347321 /nfs/dbraw/zinc/34/73/21/387347321.db2.gz DSZCEIIYDNTTDJ-VNQPRFMTSA-N 1 0 246.398 3.176 10 0 BGAERO CCC[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396717252 387489047 /nfs/dbraw/zinc/48/90/47/387489047.db2.gz UKTLWCZLGYZDRZ-BMFZPTHFSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396717255 387488684 /nfs/dbraw/zinc/48/86/84/387488684.db2.gz UKTLWCZLGYZDRZ-BPUTZDHNSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396717257 262820728 /nfs/dbraw/zinc/82/07/28/262820728.db2.gz UKTLWCZLGYZDRZ-IMJJTQAJSA-N 1 0 246.398 3.258 10 0 BGAERO CCC[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396717261 387488254 /nfs/dbraw/zinc/48/82/54/387488254.db2.gz UKTLWCZLGYZDRZ-KBMXLJTQSA-N 1 0 246.398 3.258 10 0 BGAERO Cc1ccc(C)c([C@H](C)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000396724774 490220255 /nfs/dbraw/zinc/22/02/55/490220255.db2.gz YCLQNYIWXASNEC-DZKIICNBSA-N 1 0 246.398 3.095 10 0 BGAERO Cc1ccc(C)c([C@H](C)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396724776 490220464 /nfs/dbraw/zinc/22/04/64/490220464.db2.gz YCLQNYIWXASNEC-LZWOXQAQSA-N 1 0 246.398 3.095 10 0 BGAERO Cc1ccc(C)c([C@H](C)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000396724778 490220585 /nfs/dbraw/zinc/22/05/85/490220585.db2.gz YCLQNYIWXASNEC-OFQRWUPVSA-N 1 0 246.398 3.095 10 0 BGAERO Cc1ccc(C)c([C@H](C)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000396724780 490220657 /nfs/dbraw/zinc/22/06/57/490220657.db2.gz YCLQNYIWXASNEC-SQWLQELKSA-N 1 0 246.398 3.095 10 0 BGAERO CC(C)[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396728752 411240827 /nfs/dbraw/zinc/24/08/27/411240827.db2.gz ZYLOCBYTYILIBF-BMFZPTHFSA-N 1 0 246.398 3.114 10 0 BGAERO CC(C)[C@H](N[C@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396728753 411240555 /nfs/dbraw/zinc/24/05/55/411240555.db2.gz ZYLOCBYTYILIBF-BPUTZDHNSA-N 1 0 246.398 3.114 10 0 BGAERO CC(C)[C@H](N[C@@H]1CCC[NH2+][C@H]1C)c1ccccc1 ZINC000396728754 411240506 /nfs/dbraw/zinc/24/05/06/411240506.db2.gz ZYLOCBYTYILIBF-IMJJTQAJSA-N 1 0 246.398 3.114 10 0 BGAERO CC(C)[C@H](N[C@H]1CCC[NH2+][C@@H]1C)c1ccccc1 ZINC000396728755 411240445 /nfs/dbraw/zinc/24/04/45/411240445.db2.gz ZYLOCBYTYILIBF-KBMXLJTQSA-N 1 0 246.398 3.114 10 0 BGAERO CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000396840635 488039038 /nfs/dbraw/zinc/03/90/38/488039038.db2.gz MSVFVTAZMSOBMP-ILXRZTDVSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000396840637 488038958 /nfs/dbraw/zinc/03/89/58/488038958.db2.gz MSVFVTAZMSOBMP-KKUMJFAQSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000396840639 488039149 /nfs/dbraw/zinc/03/91/49/488039149.db2.gz MSVFVTAZMSOBMP-QLFBSQMISA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)C[C@@H]1CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000396840640 488039261 /nfs/dbraw/zinc/03/92/61/488039261.db2.gz MSVFVTAZMSOBMP-SOUVJXGZSA-N 1 0 239.403 3.048 10 0 BGAERO Clc1cccc(Cl)c1C[C@@H]1[NH2+]C[C@H]2C[C@H]21 ZINC000397009101 350042592 /nfs/dbraw/zinc/04/25/92/350042592.db2.gz VJDKBDOYWMKBBS-RWYTXXIDSA-N 1 0 242.149 3.144 10 0 BGAERO Cc1sccc1[C@H]1[NH2+]CCc2sccc21 ZINC000397126818 584023756 /nfs/dbraw/zinc/02/37/56/584023756.db2.gz CDNCYTQKNRYNHK-GFCCVEGCSA-N 1 0 235.377 3.353 10 0 BGAERO Cc1sccc1[C@@H]1[NH2+]CCc2sccc21 ZINC000397126827 583097145 /nfs/dbraw/zinc/09/71/45/583097145.db2.gz CDNCYTQKNRYNHK-LBPRGKRZSA-N 1 0 235.377 3.353 10 0 BGAERO CC[C@]1(C2CCC2)[NH2+]CCc2sccc21 ZINC000397134736 583097286 /nfs/dbraw/zinc/09/72/86/583097286.db2.gz AUTLISVDTXROJV-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@@]1(C2CCC2)[NH2+]CCc2sccc21 ZINC000397134738 583097129 /nfs/dbraw/zinc/09/71/29/583097129.db2.gz AUTLISVDTXROJV-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO Cc1cc([C@H]2[NH2+]CCc3sccc32)cs1 ZINC000397159824 583097717 /nfs/dbraw/zinc/09/77/17/583097717.db2.gz SCPATNQDHRFVGE-GFCCVEGCSA-N 1 0 235.377 3.353 10 0 BGAERO Cc1cc([C@@H]2[NH2+]CCc3sccc32)cs1 ZINC000397159825 583097993 /nfs/dbraw/zinc/09/79/93/583097993.db2.gz SCPATNQDHRFVGE-LBPRGKRZSA-N 1 0 235.377 3.353 10 0 BGAERO CC1CCC2(CC1)[NH2+]CCc1sccc12 ZINC000397166293 583098162 /nfs/dbraw/zinc/09/81/62/583098162.db2.gz BRWFUXFHZCSGEW-UHFFFAOYSA-N 1 0 221.369 3.299 10 0 BGAERO CSC(C)(C)C[C@@H]1[NH2+]CCc2sccc21 ZINC000397168495 583098342 /nfs/dbraw/zinc/09/83/42/583098342.db2.gz CWXKUZAAIDIJNR-JTQLQIEISA-N 1 0 241.425 3.467 10 0 BGAERO CSC(C)(C)C[C@H]1[NH2+]CCc2sccc21 ZINC000397168501 583098070 /nfs/dbraw/zinc/09/80/70/583098070.db2.gz CWXKUZAAIDIJNR-SNVBAGLBSA-N 1 0 241.425 3.467 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@H]2[C@H]1CC=CCC1 ZINC000397170649 583098503 /nfs/dbraw/zinc/09/85/03/583098503.db2.gz DOGOLIHVXNPAPJ-GWCFXTLKSA-N 1 0 219.353 3.291 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@H]1CC=CCC1 ZINC000397170651 583098331 /nfs/dbraw/zinc/09/83/31/583098331.db2.gz DOGOLIHVXNPAPJ-GXFFZTMASA-N 1 0 219.353 3.291 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@H]2[C@@H]1CC=CCC1 ZINC000397170653 583098513 /nfs/dbraw/zinc/09/85/13/583098513.db2.gz DOGOLIHVXNPAPJ-MFKMUULPSA-N 1 0 219.353 3.291 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@@H]1CC=CCC1 ZINC000397170654 583098662 /nfs/dbraw/zinc/09/86/62/583098662.db2.gz DOGOLIHVXNPAPJ-ZWNOBZJWSA-N 1 0 219.353 3.291 10 0 BGAERO C[C@]1(CC2CCC2)[NH2+]CCc2sccc21 ZINC000397178758 583098442 /nfs/dbraw/zinc/09/84/42/583098442.db2.gz IDRASHJTAXKQJV-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO C[C@@]1(CC2CCC2)[NH2+]CCc2sccc21 ZINC000397178759 583098233 /nfs/dbraw/zinc/09/82/33/583098233.db2.gz IDRASHJTAXKQJV-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@H]2Cc1ccccc1 ZINC000397181630 583098306 /nfs/dbraw/zinc/09/83/06/583098306.db2.gz JJXYSAVPGRGPAY-CYBMUJFWSA-N 1 0 229.348 3.178 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@H]2Cc1ccccc1 ZINC000397181632 583098277 /nfs/dbraw/zinc/09/82/77/583098277.db2.gz JJXYSAVPGRGPAY-ZDUSSCGKSA-N 1 0 229.348 3.178 10 0 BGAERO CC(C)C1CC2(C1)[NH2+]CCc1sccc12 ZINC000397184968 583098216 /nfs/dbraw/zinc/09/82/16/583098216.db2.gz LEZABKNVYZDTBP-UHFFFAOYSA-N 1 0 221.369 3.155 10 0 BGAERO CSC1([C@@H]2[NH2+]CCc3sccc32)CCC1 ZINC000397188651 583098209 /nfs/dbraw/zinc/09/82/09/583098209.db2.gz NKWKDTAEYABHKA-LLVKDONJSA-N 1 0 239.409 3.221 10 0 BGAERO CSC1([C@H]2[NH2+]CCc3sccc32)CCC1 ZINC000397188652 583098223 /nfs/dbraw/zinc/09/82/23/583098223.db2.gz NKWKDTAEYABHKA-NSHDSACASA-N 1 0 239.409 3.221 10 0 BGAERO CC[C@]1([C@H]2C[C@H]2C)[NH2+]CCc2sccc21 ZINC000397191858 583098329 /nfs/dbraw/zinc/09/83/29/583098329.db2.gz PAFAKWPNEQERHZ-CDMKHQONSA-N 1 0 221.369 3.155 10 0 BGAERO CC[C@]1([C@H]2C[C@@H]2C)[NH2+]CCc2sccc21 ZINC000397191862 583098284 /nfs/dbraw/zinc/09/82/84/583098284.db2.gz PAFAKWPNEQERHZ-GAFUQQFSSA-N 1 0 221.369 3.155 10 0 BGAERO CC[C@]1([C@@H]2C[C@@H]2C)[NH2+]CCc2sccc21 ZINC000397191866 583098556 /nfs/dbraw/zinc/09/85/56/583098556.db2.gz PAFAKWPNEQERHZ-NDMJEZRESA-N 1 0 221.369 3.155 10 0 BGAERO CC[C@]1([C@@H]2C[C@H]2C)[NH2+]CCc2sccc21 ZINC000397191869 583098485 /nfs/dbraw/zinc/09/84/85/583098485.db2.gz PAFAKWPNEQERHZ-XWIASGKRSA-N 1 0 221.369 3.155 10 0 BGAERO CC[C@H]1CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397194332 583098667 /nfs/dbraw/zinc/09/86/67/583098667.db2.gz NCDKWSSNQHLLOM-GWCFXTLKSA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@H]1CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397194333 584024315 /nfs/dbraw/zinc/02/43/15/584024315.db2.gz NCDKWSSNQHLLOM-GXFFZTMASA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@@H]1CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397194335 583098402 /nfs/dbraw/zinc/09/84/02/583098402.db2.gz NCDKWSSNQHLLOM-MFKMUULPSA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@@H]1CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397194338 583098203 /nfs/dbraw/zinc/09/82/03/583098203.db2.gz NCDKWSSNQHLLOM-ZWNOBZJWSA-N 1 0 221.369 3.299 10 0 BGAERO C[C@@]1([C@@H]2[NH2+]CCc3sccc32)CCCS1 ZINC000397198806 583098664 /nfs/dbraw/zinc/09/86/64/583098664.db2.gz UMIHSTLDIUJOHU-NEPJUHHUSA-N 1 0 239.409 3.221 10 0 BGAERO C[C@]1([C@H]2[NH2+]CCc3sccc32)CCCS1 ZINC000397198808 583098620 /nfs/dbraw/zinc/09/86/20/583098620.db2.gz UMIHSTLDIUJOHU-NWDGAFQWSA-N 1 0 239.409 3.221 10 0 BGAERO C[C@@]1([C@H]2[NH2+]CCc3sccc32)CCCS1 ZINC000397198811 583098500 /nfs/dbraw/zinc/09/85/00/583098500.db2.gz UMIHSTLDIUJOHU-RYUDHWBXSA-N 1 0 239.409 3.221 10 0 BGAERO C[C@]1([C@@H]2[NH2+]CCc3sccc32)CCCS1 ZINC000397198815 583098606 /nfs/dbraw/zinc/09/86/06/583098606.db2.gz UMIHSTLDIUJOHU-VXGBXAGGSA-N 1 0 239.409 3.221 10 0 BGAERO c1cc2c(s1)CC[NH2+]C21CCCCCC1 ZINC000397199580 583098454 /nfs/dbraw/zinc/09/84/54/583098454.db2.gz UZBXMWJDGLKCPY-UHFFFAOYSA-N 1 0 221.369 3.443 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@]21CC2CCC1CC2 ZINC000397200536 583098482 /nfs/dbraw/zinc/09/84/82/583098482.db2.gz VNMDHXYZRTWFMX-MGULZYLOSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21CC2CCC1CC2 ZINC000397200537 583098487 /nfs/dbraw/zinc/09/84/87/583098487.db2.gz VNMDHXYZRTWFMX-QIMFLAQGSA-N 1 0 233.380 3.299 10 0 BGAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397207882 583098979 /nfs/dbraw/zinc/09/89/79/583098979.db2.gz BVZCTNLZHFZEQN-GWCFXTLKSA-N 1 0 221.369 3.299 10 0 BGAERO C[C@H]1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397207883 583098906 /nfs/dbraw/zinc/09/89/06/583098906.db2.gz BVZCTNLZHFZEQN-GXFFZTMASA-N 1 0 221.369 3.299 10 0 BGAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397207884 583098924 /nfs/dbraw/zinc/09/89/24/583098924.db2.gz BVZCTNLZHFZEQN-MFKMUULPSA-N 1 0 221.369 3.299 10 0 BGAERO C[C@@H]1CCC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397207885 583099110 /nfs/dbraw/zinc/09/91/10/583099110.db2.gz BVZCTNLZHFZEQN-ZWNOBZJWSA-N 1 0 221.369 3.299 10 0 BGAERO Cc1ccc([C@@H]2[NH2+]CCc3sccc32)s1 ZINC000397208897 583099198 /nfs/dbraw/zinc/09/91/98/583099198.db2.gz CWYKNVXXEAFUEL-GFCCVEGCSA-N 1 0 235.377 3.353 10 0 BGAERO Cc1ccc([C@H]2[NH2+]CCc3sccc32)s1 ZINC000397208898 583099150 /nfs/dbraw/zinc/09/91/50/583099150.db2.gz CWYKNVXXEAFUEL-LBPRGKRZSA-N 1 0 235.377 3.353 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@@H]1CCCSC1 ZINC000397215361 583098955 /nfs/dbraw/zinc/09/89/55/583098955.db2.gz CERRVPWCFJIHQX-BXKDBHETSA-N 1 0 239.409 3.078 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@H]2[C@H]1CCCSC1 ZINC000397215362 583099169 /nfs/dbraw/zinc/09/91/69/583099169.db2.gz CERRVPWCFJIHQX-CABZTGNLSA-N 1 0 239.409 3.078 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@H]1CCCSC1 ZINC000397215363 583099200 /nfs/dbraw/zinc/09/92/00/583099200.db2.gz CERRVPWCFJIHQX-JOYOIKCWSA-N 1 0 239.409 3.078 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@H]2[C@@H]1CCCSC1 ZINC000397215364 583099158 /nfs/dbraw/zinc/09/91/58/583099158.db2.gz CERRVPWCFJIHQX-SKDRFNHKSA-N 1 0 239.409 3.078 10 0 BGAERO CC(C)C1(C(C)C)[NH2+]CCc2sccc21 ZINC000397231728 583099186 /nfs/dbraw/zinc/09/91/86/583099186.db2.gz RJOZETADFHQUCG-UHFFFAOYSA-N 1 0 223.385 3.401 10 0 BGAERO CC1(C)CC[C@]2(C1)[NH2+]CCc1sccc12 ZINC000397236329 583098938 /nfs/dbraw/zinc/09/89/38/583098938.db2.gz PESVVRRVSLNOOP-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO CC1(C)CC[C@@]2(C1)[NH2+]CCc1sccc12 ZINC000397236331 583098945 /nfs/dbraw/zinc/09/89/45/583098945.db2.gz PESVVRRVSLNOOP-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO CSCCC[C@@H]1[NH2+]CCc2sccc21 ZINC000397245363 583098964 /nfs/dbraw/zinc/09/89/64/583098964.db2.gz TZVFUAAARWUSGD-JTQLQIEISA-N 1 0 227.398 3.078 10 0 BGAERO CSCCC[C@H]1[NH2+]CCc2sccc21 ZINC000397245365 583099106 /nfs/dbraw/zinc/09/91/06/583099106.db2.gz TZVFUAAARWUSGD-SNVBAGLBSA-N 1 0 227.398 3.078 10 0 BGAERO CCC[C@]1(C2CC2)[NH2+]CCc2sccc21 ZINC000397275091 583099007 /nfs/dbraw/zinc/09/90/07/583099007.db2.gz FRGYNBVSESDDGS-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO CCC[C@@]1(C2CC2)[NH2+]CCc2sccc21 ZINC000397275092 583098971 /nfs/dbraw/zinc/09/89/71/583098971.db2.gz FRGYNBVSESDDGS-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO CCSCC[C@@H]1[NH2+]CCc2sccc21 ZINC000397293783 583099690 /nfs/dbraw/zinc/09/96/90/583099690.db2.gz MDSAEUHUTVFYEO-JTQLQIEISA-N 1 0 227.398 3.078 10 0 BGAERO CCSCC[C@H]1[NH2+]CCc2sccc21 ZINC000397293785 583099456 /nfs/dbraw/zinc/09/94/56/583099456.db2.gz MDSAEUHUTVFYEO-SNVBAGLBSA-N 1 0 227.398 3.078 10 0 BGAERO C[C@@H]1C[C@H]([NH2+]CC2=CCOCC2)CC(C)(C)C1 ZINC000397607601 262927529 /nfs/dbraw/zinc/92/75/29/262927529.db2.gz ATRDOZDDMZJRQS-OCCSQVGLSA-N 1 0 237.387 3.138 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)CC(C)(C)C1 ZINC000397607604 388483369 /nfs/dbraw/zinc/48/33/69/388483369.db2.gz ATRDOZDDMZJRQS-TZMCWYRMSA-N 1 0 237.387 3.138 10 0 BGAERO CC1CCC(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000397624064 388485174 /nfs/dbraw/zinc/48/51/74/388485174.db2.gz HSWPMSVLHGPLNM-MOIJGLSHSA-N 1 0 207.361 3.201 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)[C@H]1CC1(C)C ZINC000397644337 262928396 /nfs/dbraw/zinc/92/83/96/262928396.db2.gz ZEKGZRYQHCLNQJ-RUZUBIRVSA-N 1 0 239.403 3.214 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)[C@@H]1CC1(C)C ZINC000397644338 388487261 /nfs/dbraw/zinc/48/72/61/388487261.db2.gz ZEKGZRYQHCLNQJ-SAXRGWBVSA-N 1 0 239.403 3.214 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@@H](OC)C1CC1)[C@@H]1CC1(C)C ZINC000397644341 388486971 /nfs/dbraw/zinc/48/69/71/388486971.db2.gz ZEKGZRYQHCLNQJ-VZZFWQQMSA-N 1 0 239.403 3.214 10 0 BGAERO CC[C@H]([NH2+][C@H](C)[C@H](OC)C1CC1)[C@H]1CC1(C)C ZINC000397644343 388487040 /nfs/dbraw/zinc/48/70/40/388487040.db2.gz ZEKGZRYQHCLNQJ-ZZVYKPCYSA-N 1 0 239.403 3.214 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)C(F)F)[C@@H]1CC1(C)C ZINC000397672655 362901141 /nfs/dbraw/zinc/90/11/41/362901141.db2.gz JNLLYXFLBXCJGC-CIUDSAMLSA-N 1 0 205.292 3.054 10 0 BGAERO CC[C@H]([NH2+][C@H](C)C(F)F)[C@H]1CC1(C)C ZINC000397672657 362900734 /nfs/dbraw/zinc/90/07/34/362900734.db2.gz JNLLYXFLBXCJGC-HLTSFMKQSA-N 1 0 205.292 3.054 10 0 BGAERO CC[C@H]([NH2+][C@H](C)C(F)F)[C@@H]1CC1(C)C ZINC000397672660 362901090 /nfs/dbraw/zinc/90/10/90/362901090.db2.gz JNLLYXFLBXCJGC-VGMNWLOBSA-N 1 0 205.292 3.054 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)C(F)F)[C@H]1CC1(C)C ZINC000397672662 362900862 /nfs/dbraw/zinc/90/08/62/362900862.db2.gz JNLLYXFLBXCJGC-YIZRAAEISA-N 1 0 205.292 3.054 10 0 BGAERO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CC1(C)C ZINC000397706544 262930436 /nfs/dbraw/zinc/93/04/36/262930436.db2.gz NVKIWLNWAAUPIY-ILXRZTDVSA-N 1 0 247.382 3.134 10 0 BGAERO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@H]1CC1(C)C ZINC000397706545 262930455 /nfs/dbraw/zinc/93/04/55/262930455.db2.gz NVKIWLNWAAUPIY-KFWWJZLASA-N 1 0 247.382 3.134 10 0 BGAERO CC[C@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CC1(C)C ZINC000397706546 262930345 /nfs/dbraw/zinc/93/03/45/262930345.db2.gz NVKIWLNWAAUPIY-KKUMJFAQSA-N 1 0 247.382 3.134 10 0 BGAERO CC[C@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CC1(C)C ZINC000397706547 388493314 /nfs/dbraw/zinc/49/33/14/388493314.db2.gz NVKIWLNWAAUPIY-QLFBSQMISA-N 1 0 247.382 3.134 10 0 BGAERO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)[C@H]1CC1(C)C ZINC000397706548 323087965 /nfs/dbraw/zinc/08/79/65/323087965.db2.gz NVKIWLNWAAUPIY-RBSFLKMASA-N 1 0 247.382 3.134 10 0 BGAERO CC[C@@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CC1(C)C ZINC000397706549 323087938 /nfs/dbraw/zinc/08/79/38/323087938.db2.gz NVKIWLNWAAUPIY-RRFJBIMHSA-N 1 0 247.382 3.134 10 0 BGAERO CC[C@H]([NH2+][C@H](CO)c1ccccc1)[C@@H]1CC1(C)C ZINC000397706550 323087879 /nfs/dbraw/zinc/08/78/79/323087879.db2.gz NVKIWLNWAAUPIY-SOUVJXGZSA-N 1 0 247.382 3.134 10 0 BGAERO CC[C@@H]([NH2+][C@@H](CO)c1ccccc1)[C@@H]1CC1(C)C ZINC000397706551 323088098 /nfs/dbraw/zinc/08/80/98/323088098.db2.gz NVKIWLNWAAUPIY-ZNMIVQPWSA-N 1 0 247.382 3.134 10 0 BGAERO CC1(C)C[C@@H]1[C@@]1(C)[NH2+]CCc2sccc21 ZINC000397711355 583107187 /nfs/dbraw/zinc/10/71/87/583107187.db2.gz UYTHISFGWXIEOL-AAEUAGOBSA-N 1 0 221.369 3.155 10 0 BGAERO CC1(C)C[C@H]1[C@]1(C)[NH2+]CCc2sccc21 ZINC000397711360 583107002 /nfs/dbraw/zinc/10/70/02/583107002.db2.gz UYTHISFGWXIEOL-DGCLKSJQSA-N 1 0 221.369 3.155 10 0 BGAERO CC1(C)C[C@@H]1[C@]1(C)[NH2+]CCc2sccc21 ZINC000397711367 583107075 /nfs/dbraw/zinc/10/70/75/583107075.db2.gz UYTHISFGWXIEOL-WCQYABFASA-N 1 0 221.369 3.155 10 0 BGAERO CC1(C)C[C@H]1[C@@]1(C)[NH2+]CCc2sccc21 ZINC000397711373 583107024 /nfs/dbraw/zinc/10/70/24/583107024.db2.gz UYTHISFGWXIEOL-YPMHNXCESA-N 1 0 221.369 3.155 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1ncc(C)o1)[C@@H]1CC1(C)C ZINC000397765573 362907346 /nfs/dbraw/zinc/90/73/46/362907346.db2.gz STYQAXJQAWYKTH-SRVKXCTJSA-N 1 0 236.359 3.458 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1ncc(C)o1)[C@H]1CC1(C)C ZINC000397765575 362907423 /nfs/dbraw/zinc/90/74/23/362907423.db2.gz STYQAXJQAWYKTH-TUAOUCFPSA-N 1 0 236.359 3.458 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)[C@H]1CC1(C)C ZINC000397765577 362907746 /nfs/dbraw/zinc/90/77/46/362907746.db2.gz STYQAXJQAWYKTH-UTUOFQBUSA-N 1 0 236.359 3.458 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ncc(C)o1)[C@@H]1CC1(C)C ZINC000397765579 362907457 /nfs/dbraw/zinc/90/74/57/362907457.db2.gz STYQAXJQAWYKTH-WOPDTQHZSA-N 1 0 236.359 3.458 10 0 BGAERO C[C@H](CCO)CC[NH2+][C@@H]1C[C@@H](C)CC(C)(C)C1 ZINC000397811481 388502124 /nfs/dbraw/zinc/50/21/24/388502124.db2.gz ZTMFPOYHNVJSTC-BFHYXJOUSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CCO)CC[NH2+][C@H]1C[C@H](C)CC(C)(C)C1 ZINC000397811482 262934955 /nfs/dbraw/zinc/93/49/55/262934955.db2.gz ZTMFPOYHNVJSTC-IHRRRGAJSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CCO)CC[NH2+][C@@H]1C[C@H](C)CC(C)(C)C1 ZINC000397811483 388500926 /nfs/dbraw/zinc/50/09/26/388500926.db2.gz ZTMFPOYHNVJSTC-MELADBBJSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@H](CCO)CC[NH2+][C@H]1C[C@@H](C)CC(C)(C)C1 ZINC000397811484 388500993 /nfs/dbraw/zinc/50/09/93/388500993.db2.gz ZTMFPOYHNVJSTC-MJBXVCDLSA-N 1 0 241.419 3.199 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CC1(C)C ZINC000397813765 488155590 /nfs/dbraw/zinc/15/55/90/488155590.db2.gz OVVBPHBNFAZDGQ-MQYQWHSLSA-N 1 0 239.403 3.094 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CC1(C)C ZINC000397813766 488155435 /nfs/dbraw/zinc/15/54/35/488155435.db2.gz OVVBPHBNFAZDGQ-RFGFWPKPSA-N 1 0 239.403 3.094 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CC1(C)C ZINC000397813767 488155649 /nfs/dbraw/zinc/15/56/49/488155649.db2.gz OVVBPHBNFAZDGQ-RQJABVFESA-N 1 0 239.403 3.094 10 0 BGAERO CCC[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CC1(C)C ZINC000397813768 488154953 /nfs/dbraw/zinc/15/49/53/488154953.db2.gz OVVBPHBNFAZDGQ-SYQHCUMBSA-N 1 0 239.403 3.094 10 0 BGAERO CC(C)=CCC[NH2+][C@H]1CCc2c1cccc2O ZINC000397831720 488158204 /nfs/dbraw/zinc/15/82/04/488158204.db2.gz LCEIDRRWUOJRAX-AWEZNQCLSA-N 1 0 231.339 3.325 10 0 BGAERO CC(C)=CCC[NH2+][C@@H]1CCc2c1cccc2O ZINC000397831724 488158181 /nfs/dbraw/zinc/15/81/81/488158181.db2.gz LCEIDRRWUOJRAX-CQSZACIVSA-N 1 0 231.339 3.325 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)CSC)[C@H]1CC1(C)C ZINC000397854734 388506634 /nfs/dbraw/zinc/50/66/34/388506634.db2.gz WTTZGERVNOYIKA-AXFHLTTASA-N 1 0 215.406 3.152 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)CSC)[C@@H]1CC1(C)C ZINC000397854736 388506674 /nfs/dbraw/zinc/50/66/74/388506674.db2.gz WTTZGERVNOYIKA-DCAQKATOSA-N 1 0 215.406 3.152 10 0 BGAERO CC[C@H]([NH2+][C@H](C)CSC)[C@H]1CC1(C)C ZINC000397854738 388506191 /nfs/dbraw/zinc/50/61/91/388506191.db2.gz WTTZGERVNOYIKA-MXWKQRLJSA-N 1 0 215.406 3.152 10 0 BGAERO CC[C@H]([NH2+][C@H](C)CSC)[C@@H]1CC1(C)C ZINC000397854740 388506533 /nfs/dbraw/zinc/50/65/33/388506533.db2.gz WTTZGERVNOYIKA-VWYCJHECSA-N 1 0 215.406 3.152 10 0 BGAERO Cc1nocc1C[NH2+][C@H](C)c1cccc(C)c1 ZINC000397958360 262941132 /nfs/dbraw/zinc/94/11/32/262941132.db2.gz SXMBYCBFISGHLK-LLVKDONJSA-N 1 0 230.311 3.142 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1csnn1)[C@H]1CC1(C)C ZINC000398376165 386817734 /nfs/dbraw/zinc/81/77/34/386817734.db2.gz LMNRFSRLCKIMQA-AEJSXWLSSA-N 1 0 239.388 3.013 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1csnn1)[C@H]1CC1(C)C ZINC000398376167 386817659 /nfs/dbraw/zinc/81/76/59/386817659.db2.gz LMNRFSRLCKIMQA-BBBLOLIVSA-N 1 0 239.388 3.013 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1csnn1)[C@@H]1CC1(C)C ZINC000398376169 386818991 /nfs/dbraw/zinc/81/89/91/386818991.db2.gz LMNRFSRLCKIMQA-GUBZILKMSA-N 1 0 239.388 3.013 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1csnn1)[C@@H]1CC1(C)C ZINC000398376171 386818192 /nfs/dbraw/zinc/81/81/92/386818192.db2.gz LMNRFSRLCKIMQA-UTLUCORTSA-N 1 0 239.388 3.013 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2C[C@H](O)CC[C@@H]2C)cc1 ZINC000399283847 386481825 /nfs/dbraw/zinc/48/18/25/386481825.db2.gz JWJRURIFWLXWSB-XJKSGUPXSA-N 1 0 247.382 3.155 10 0 BGAERO C[C@H](C[N@H+](C)C[C@H]1CCC[C@@H](O)C1)C(C)(C)C ZINC000399345725 368160090 /nfs/dbraw/zinc/16/00/90/368160090.db2.gz BCUCDRYPJNWUGG-HZSPNIEDSA-N 1 0 241.419 3.152 10 0 BGAERO C[C@H](C[N@H+](C)C[C@@H]1CCC[C@H](O)C1)C(C)(C)C ZINC000399345726 368160043 /nfs/dbraw/zinc/16/00/43/368160043.db2.gz BCUCDRYPJNWUGG-MCIONIFRSA-N 1 0 241.419 3.152 10 0 BGAERO C[C@H](C[N@H+](C)C[C@@H]1CCC[C@@H](O)C1)C(C)(C)C ZINC000399345727 368160322 /nfs/dbraw/zinc/16/03/22/368160322.db2.gz BCUCDRYPJNWUGG-MGPQQGTHSA-N 1 0 241.419 3.152 10 0 BGAERO C[C@H](C[N@H+](C)C[C@H]1CCC[C@H](O)C1)C(C)(C)C ZINC000399345728 368159891 /nfs/dbraw/zinc/15/98/91/368159891.db2.gz BCUCDRYPJNWUGG-RDBSUJKOSA-N 1 0 241.419 3.152 10 0 BGAERO Cc1scc(C[NH2+]CC[C@@H]2CCCO2)c1C ZINC000399789780 368581683 /nfs/dbraw/zinc/58/16/83/368581683.db2.gz WONKWPHMELTFFK-ZDUSSCGKSA-N 1 0 239.384 3.024 10 0 BGAERO Cc1ccc(CC[NH2+]CC2CCC(C)CC2)nc1 ZINC000399806558 387572980 /nfs/dbraw/zinc/57/29/80/387572980.db2.gz FVXQAMKVEUPGAW-UHFFFAOYSA-N 1 0 246.398 3.348 10 0 BGAERO C/C(=C/c1csc(C)c1)[C@@H]1CC[NH2+]C1 ZINC000400328815 358449094 /nfs/dbraw/zinc/44/90/94/358449094.db2.gz BEASXVSPEBKLRY-DJTUGOFGSA-N 1 0 207.342 3.069 10 0 BGAERO C/C(=C/c1csc(C)c1)[C@H]1CC[NH2+]C1 ZINC000400328817 358448426 /nfs/dbraw/zinc/44/84/26/358448426.db2.gz BEASXVSPEBKLRY-LRAPTIAOSA-N 1 0 207.342 3.069 10 0 BGAERO CCc1ccc([C@H](C)N[C@@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400467612 387961201 /nfs/dbraw/zinc/96/12/01/387961201.db2.gz WROGXRIJGMTHOF-HEHGZKQESA-N 1 0 246.398 3.040 10 0 BGAERO CCc1ccc([C@H](C)N[C@H](C)[C@H]2CCC[NH2+]2)cc1 ZINC000400467614 529722272 /nfs/dbraw/zinc/72/22/72/529722272.db2.gz WROGXRIJGMTHOF-WOSRLPQWSA-N 1 0 246.398 3.040 10 0 BGAERO CCc1ccc([C@H](C)N[C@@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400467616 529721839 /nfs/dbraw/zinc/72/18/39/529721839.db2.gz WROGXRIJGMTHOF-XEZPLFJOSA-N 1 0 246.398 3.040 10 0 BGAERO CCc1ccc([C@H](C)N[C@H](C)[C@@H]2CCC[NH2+]2)cc1 ZINC000400467619 529722036 /nfs/dbraw/zinc/72/20/36/529722036.db2.gz WROGXRIJGMTHOF-ZENOOKHLSA-N 1 0 246.398 3.040 10 0 BGAERO CC1CCC(C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC000400521988 528183588 /nfs/dbraw/zinc/18/35/88/528183588.db2.gz DBAAZCRQEFTQNS-NRXISQOPSA-N 1 0 239.403 3.219 10 0 BGAERO CC1CCC(C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000400521990 528183165 /nfs/dbraw/zinc/18/31/65/528183165.db2.gz DBAAZCRQEFTQNS-YMAMQOFZSA-N 1 0 239.403 3.219 10 0 BGAERO Cc1sccc1C[NH2+]Cc1ccc(C)cn1 ZINC000400822258 384772179 /nfs/dbraw/zinc/77/21/79/384772179.db2.gz GHYMLPPDJFNVKJ-UHFFFAOYSA-N 1 0 232.352 3.050 10 0 BGAERO Cc1ccc(C[NH2+]Cc2cc(C)ccc2C)nc1 ZINC000400825785 384772006 /nfs/dbraw/zinc/77/20/06/384772006.db2.gz AXAJMBSSMAATMP-UHFFFAOYSA-N 1 0 240.350 3.297 10 0 BGAERO Cc1ccc(CNCc2cc(C)ccc2F)nc1 ZINC000400848234 384801546 /nfs/dbraw/zinc/80/15/46/384801546.db2.gz MXYARAKPPDHIKN-UHFFFAOYSA-N 1 0 244.313 3.127 10 0 BGAERO O[C@@H]1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1=CCCC1 ZINC000401103514 383930301 /nfs/dbraw/zinc/93/03/01/383930301.db2.gz LJEGQINGAYAMCX-ARFHVFGLSA-N 1 0 249.398 3.112 10 0 BGAERO O[C@@H]1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1=CCCC1 ZINC000401103517 383930264 /nfs/dbraw/zinc/93/02/64/383930264.db2.gz LJEGQINGAYAMCX-BZUAXINKSA-N 1 0 249.398 3.112 10 0 BGAERO O[C@@H]1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1=CCCC1 ZINC000401103519 388269378 /nfs/dbraw/zinc/26/93/78/388269378.db2.gz LJEGQINGAYAMCX-HRCADAONSA-N 1 0 249.398 3.112 10 0 BGAERO O[C@@H]1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1=CCCC1 ZINC000401103521 383931585 /nfs/dbraw/zinc/93/15/85/383931585.db2.gz LJEGQINGAYAMCX-OWCLPIDISA-N 1 0 249.398 3.112 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000401458574 384589924 /nfs/dbraw/zinc/58/99/24/384589924.db2.gz SFTBWWZPRWRTKR-APIJFGDWSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000401458576 384590194 /nfs/dbraw/zinc/59/01/94/384590194.db2.gz SFTBWWZPRWRTKR-KBUPBQIOSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CCC[C@H](O)C1 ZINC000401458578 384589594 /nfs/dbraw/zinc/58/95/94/384589594.db2.gz SFTBWWZPRWRTKR-KBXIAJHMSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000401458579 384588689 /nfs/dbraw/zinc/58/86/89/384588689.db2.gz SFTBWWZPRWRTKR-TUVASFSCSA-N 1 0 239.403 3.096 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2C[C@@H](C)C[C@H](O)C2)cc1 ZINC000401568166 528094961 /nfs/dbraw/zinc/09/49/61/528094961.db2.gz CLMCUYZZFBXGLS-BBRMVZONSA-N 1 0 247.382 3.013 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1 ZINC000401568168 528095112 /nfs/dbraw/zinc/09/51/12/528095112.db2.gz CLMCUYZZFBXGLS-CJNGLKHVSA-N 1 0 247.382 3.013 10 0 BGAERO CC(C)c1ccc(C[N@@H+]2C[C@H](C)C[C@@H](O)C2)cc1 ZINC000401568169 528095301 /nfs/dbraw/zinc/09/53/01/528095301.db2.gz CLMCUYZZFBXGLS-CZUORRHYSA-N 1 0 247.382 3.013 10 0 BGAERO CC(C)C1([NH2+]CCc2c(F)cccc2F)CC1 ZINC000401993559 384383128 /nfs/dbraw/zinc/38/31/28/384383128.db2.gz AFPFCHBBTCFPCS-UHFFFAOYSA-N 1 0 239.309 3.286 10 0 BGAERO ClC(Cl)=CC[C@H]1CCCC[NH2+]C1 ZINC000403483398 359345230 /nfs/dbraw/zinc/34/52/30/359345230.db2.gz SOSYYXHBGCQBMK-MRVPVSSYSA-N 1 0 208.132 3.085 10 0 BGAERO ClC(Cl)=CC[C@@H]1CCCC[NH2+]C1 ZINC000403483400 359345482 /nfs/dbraw/zinc/34/54/82/359345482.db2.gz SOSYYXHBGCQBMK-QMMMGPOBSA-N 1 0 208.132 3.085 10 0 BGAERO C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000403529633 490125127 /nfs/dbraw/zinc/12/51/27/490125127.db2.gz NTDJJHGYDXELGH-PMXAPFLYSA-N 1 0 219.372 3.201 10 0 BGAERO C([NH2+][C@@H]1CCC[C@@H]2C[C@@H]21)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000403529634 488125197 /nfs/dbraw/zinc/12/51/97/488125197.db2.gz NTDJJHGYDXELGH-ZAQNNHEOSA-N 1 0 219.372 3.201 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)o1 ZINC000403715870 488134092 /nfs/dbraw/zinc/13/40/92/488134092.db2.gz YNPAMPIDZMYZAX-LOWDOPEQSA-N 1 0 234.343 3.070 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)o1 ZINC000403715875 488133829 /nfs/dbraw/zinc/13/38/29/488133829.db2.gz YNPAMPIDZMYZAX-QNWHQSFQSA-N 1 0 234.343 3.070 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+]Cc2ccns2)c1 ZINC000404286735 398327008 /nfs/dbraw/zinc/32/70/08/398327008.db2.gz DBACGXXXDXZEHC-LLVKDONJSA-N 1 0 232.352 3.302 10 0 BGAERO Cc1cccc([C@H](C)[NH2+]Cc2ccns2)c1 ZINC000404286736 398327054 /nfs/dbraw/zinc/32/70/54/398327054.db2.gz DBACGXXXDXZEHC-NSHDSACASA-N 1 0 232.352 3.302 10 0 BGAERO [NH3+]CCNc1cc(Cl)c(Cl)c(Cl)c1 ZINC000404321017 351374617 /nfs/dbraw/zinc/37/46/17/351374617.db2.gz CVHNGPJTEHYXBM-UHFFFAOYSA-N 1 0 239.533 3.017 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+]Cc1ccns1 ZINC000404440157 351449880 /nfs/dbraw/zinc/44/98/80/351449880.db2.gz JJJINWGDWYAAEU-NSHDSACASA-N 1 0 232.352 3.302 10 0 BGAERO CCC1CCC([NH2+]Cc2ccns2)CC1 ZINC000404441553 351457943 /nfs/dbraw/zinc/45/79/43/351457943.db2.gz XFNBQXKZEDCTCI-UHFFFAOYSA-N 1 0 224.373 3.202 10 0 BGAERO C[C@H]([NH2+]Cc1ccns1)c1cccs1 ZINC000404447785 351459179 /nfs/dbraw/zinc/45/91/79/351459179.db2.gz DLSUEDQXIKHGCS-QMMMGPOBSA-N 1 0 224.354 3.055 10 0 BGAERO Cc1cc(C[NH2+][C@H]2CCc3ccccc32)sn1 ZINC000404458326 385003174 /nfs/dbraw/zinc/00/31/74/385003174.db2.gz XTOMRHOMMLABMV-AWEZNQCLSA-N 1 0 244.363 3.229 10 0 BGAERO c1cc(C[NH2+]C2C3CC4CC(C3)CC2C4)sn1 ZINC000404485582 351479155 /nfs/dbraw/zinc/47/91/55/351479155.db2.gz KDNLCOZUZLEXRK-UHFFFAOYSA-N 1 0 248.395 3.057 10 0 BGAERO Cc1cc(C[NH2+][C@H](C)c2cccs2)sn1 ZINC000404495915 385020737 /nfs/dbraw/zinc/02/07/37/385020737.db2.gz QOLCBKNTWOVSOD-SECBINFHSA-N 1 0 238.381 3.364 10 0 BGAERO Cc1cc(C[NH2+][C@@H](C)c2cccs2)sn1 ZINC000404495917 385022038 /nfs/dbraw/zinc/02/20/38/385022038.db2.gz QOLCBKNTWOVSOD-VIFPVBQESA-N 1 0 238.381 3.364 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1cscc1Br ZINC000404782315 352431777 /nfs/dbraw/zinc/43/17/77/352431777.db2.gz JSIZUXCQYAPRML-SECBINFHSA-N 1 0 246.173 3.477 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1cscc1Br ZINC000404782316 352432004 /nfs/dbraw/zinc/43/20/04/352432004.db2.gz JSIZUXCQYAPRML-VIFPVBQESA-N 1 0 246.173 3.477 10 0 BGAERO Cc1cccnc1CC[NH2+]CC1CCC(C)CC1 ZINC000404905899 229433022 /nfs/dbraw/zinc/43/30/22/229433022.db2.gz YTUDACBEERCHQC-UHFFFAOYSA-N 1 0 246.398 3.348 10 0 BGAERO CC(C)(CC[N@@H+]1CCC[C@H]1CCCO)C1CC1 ZINC000406045434 411450323 /nfs/dbraw/zinc/45/03/23/411450323.db2.gz UQZRTRFETKAGAG-AWEZNQCLSA-N 1 0 239.403 3.050 10 0 BGAERO CC(C)(CC[N@@H+]1CCC[C@@H]1CCCO)C1CC1 ZINC000406045435 411451193 /nfs/dbraw/zinc/45/11/93/411451193.db2.gz UQZRTRFETKAGAG-CQSZACIVSA-N 1 0 239.403 3.050 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CCC(C)(C)C2CC2)o1 ZINC000406054242 384633925 /nfs/dbraw/zinc/63/39/25/384633925.db2.gz FWHVXHZHMQGHIO-LLVKDONJSA-N 1 0 236.359 3.460 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCC(C)(C)C2CC2)o1 ZINC000406054243 384634696 /nfs/dbraw/zinc/63/46/96/384634696.db2.gz FWHVXHZHMQGHIO-NSHDSACASA-N 1 0 236.359 3.460 10 0 BGAERO C[NH+](C)Cc1cccc(N[C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000408510000 343759044 /nfs/dbraw/zinc/75/90/44/343759044.db2.gz ADFOHAODYVBDRW-IMJJTQAJSA-N 1 0 244.382 3.349 10 0 BGAERO C[NH+](C)Cc1ccc(N[C@H]2CCC[C@H]3C[C@H]32)cc1 ZINC000408510442 323047133 /nfs/dbraw/zinc/04/71/33/323047133.db2.gz PFBRQZPRKNKXFF-IMJJTQAJSA-N 1 0 244.382 3.349 10 0 BGAERO CC(C)[C@@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000409444586 191013541 /nfs/dbraw/zinc/01/35/41/191013541.db2.gz ULOYJKZWRRZJIM-QMAVJUDZSA-N 1 0 221.319 3.473 10 0 BGAERO CC(C)[C@H](C)[NH2+]C/C=C\c1ccc(F)cc1 ZINC000409444587 191012718 /nfs/dbraw/zinc/01/27/18/191012718.db2.gz ULOYJKZWRRZJIM-RXNFCKPNSA-N 1 0 221.319 3.473 10 0 BGAERO CCc1ccc(C[NH2+]C2(C3CCC3)CCC2)nc1 ZINC000411830329 191213949 /nfs/dbraw/zinc/21/39/49/191213949.db2.gz ZCHAUWLNRLRAFE-UHFFFAOYSA-N 1 0 244.382 3.456 10 0 BGAERO CC[C@@H]([NH2+]C1CC(F)(F)C1)[C@H]1CC1(C)C ZINC000414150146 191445556 /nfs/dbraw/zinc/44/55/56/191445556.db2.gz PDSBYSAWBLOZGN-NXEZZACHSA-N 1 0 217.303 3.198 10 0 BGAERO CC[C@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CC1(C)C ZINC000414150147 386000269 /nfs/dbraw/zinc/00/02/69/386000269.db2.gz PDSBYSAWBLOZGN-UWVGGRQHSA-N 1 0 217.303 3.198 10 0 BGAERO CC[C@@H]([NH2+]C1CC(F)(F)C1)[C@@H]1CC1(C)C ZINC000414150148 385999349 /nfs/dbraw/zinc/99/93/49/385999349.db2.gz PDSBYSAWBLOZGN-VHSXEESVSA-N 1 0 217.303 3.198 10 0 BGAERO CC[C@H]([NH2+]C1CC(F)(F)C1)[C@H]1CC1(C)C ZINC000414150436 385999368 /nfs/dbraw/zinc/99/93/68/385999368.db2.gz PDSBYSAWBLOZGN-ZJUUUORDSA-N 1 0 217.303 3.198 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[C@H]1C ZINC000414153111 386002710 /nfs/dbraw/zinc/00/27/10/386002710.db2.gz QZQUQABHAYEMPG-JEWKUQAESA-N 1 0 239.403 3.214 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@H]1C ZINC000414153112 386002774 /nfs/dbraw/zinc/00/27/74/386002774.db2.gz QZQUQABHAYEMPG-KYFQHEKYSA-N 1 0 239.403 3.214 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@H]1C[C@@H]1C ZINC000414153113 386002261 /nfs/dbraw/zinc/00/22/61/386002261.db2.gz QZQUQABHAYEMPG-LOVFCKMRSA-N 1 0 239.403 3.214 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1C[C@@H]1C ZINC000414153114 386001333 /nfs/dbraw/zinc/00/13/33/386001333.db2.gz QZQUQABHAYEMPG-UJOWSUJOSA-N 1 0 239.403 3.214 10 0 BGAERO C[C@H]1O[C@@H](C)C[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC000414516205 385635827 /nfs/dbraw/zinc/63/58/27/385635827.db2.gz OQJFJNLFCDBFOD-FTGKKSIPSA-N 1 0 239.403 3.216 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]CC2CCC(C)CC2)[C@@H](C)O1 ZINC000414516207 191526619 /nfs/dbraw/zinc/52/66/19/191526619.db2.gz OQJFJNLFCDBFOD-KYRRZXGASA-N 1 0 239.403 3.216 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]CC2CCC(C)CC2)[C@H](C)O1 ZINC000414516208 385636725 /nfs/dbraw/zinc/63/67/25/385636725.db2.gz OQJFJNLFCDBFOD-NSMDVSGXSA-N 1 0 239.403 3.216 10 0 BGAERO C[C@H]1C[C@@H](C[NH2+]CC2CCC(C)CC2)[C@H](C)O1 ZINC000414516209 385635950 /nfs/dbraw/zinc/63/59/50/385635950.db2.gz OQJFJNLFCDBFOD-SNEDNNOVSA-N 1 0 239.403 3.216 10 0 BGAERO C(COCC1CCC1)[NH2+]C1(C2CCC2)CCC1 ZINC000419293167 192119251 /nfs/dbraw/zinc/11/92/51/192119251.db2.gz YWNQDHWOLRTUTB-UHFFFAOYSA-N 1 0 237.387 3.116 10 0 BGAERO CCOc1cc(NC2CCC([NH3+])CC2)ccc1C ZINC000423103211 387888574 /nfs/dbraw/zinc/88/85/74/387888574.db2.gz LAJWJMSVJGRNCM-UHFFFAOYSA-N 1 0 248.370 3.076 10 0 BGAERO C[C@@H](Nc1cccc(C2CCC2)c1)[C@H]1CC[NH2+]C1 ZINC000423143246 192584362 /nfs/dbraw/zinc/58/43/62/192584362.db2.gz WRNLCCOLVQUPNA-DOMZBBRYSA-N 1 0 244.382 3.364 10 0 BGAERO C[C@@H](Nc1cccc(C2CCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000423143247 387919638 /nfs/dbraw/zinc/91/96/38/387919638.db2.gz WRNLCCOLVQUPNA-IUODEOHRSA-N 1 0 244.382 3.364 10 0 BGAERO C[C@H](Nc1cccc(C2CCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000423143248 387920056 /nfs/dbraw/zinc/92/00/56/387920056.db2.gz WRNLCCOLVQUPNA-SWLSCSKDSA-N 1 0 244.382 3.364 10 0 BGAERO C[C@H](Nc1cccc(C2CCC2)c1)[C@H]1CC[NH2+]C1 ZINC000423143249 387920803 /nfs/dbraw/zinc/92/08/03/387920803.db2.gz WRNLCCOLVQUPNA-WFASDCNBSA-N 1 0 244.382 3.364 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC3)CC(C)(C)C1 ZINC000424183867 385112219 /nfs/dbraw/zinc/11/22/19/385112219.db2.gz KPECEUHNADLRTI-GRYCIOLGSA-N 1 0 207.361 3.343 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC3)CC(C)(C)C1 ZINC000424183868 200881201 /nfs/dbraw/zinc/88/12/01/200881201.db2.gz KPECEUHNADLRTI-IJLUTSLNSA-N 1 0 207.361 3.343 10 0 BGAERO C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC3)CC(C)(C)C1 ZINC000424183869 385111325 /nfs/dbraw/zinc/11/13/25/385111325.db2.gz KPECEUHNADLRTI-UTUOFQBUSA-N 1 0 207.361 3.343 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC3)CC(C)(C)C1 ZINC000424183870 200880400 /nfs/dbraw/zinc/88/04/00/200880400.db2.gz KPECEUHNADLRTI-WOPDTQHZSA-N 1 0 207.361 3.343 10 0 BGAERO CCC(C)(C)CC[N@@H+]1CCC[C@@H]1CCCO ZINC000441486318 387765218 /nfs/dbraw/zinc/76/52/18/387765218.db2.gz BCSUTXOEGCTLCY-CYBMUJFWSA-N 1 0 227.392 3.050 10 0 BGAERO CCC(C)(C)CC[N@@H+]1CCC[C@H]1CCCO ZINC000441486319 387765366 /nfs/dbraw/zinc/76/53/66/387765366.db2.gz BCSUTXOEGCTLCY-ZDUSSCGKSA-N 1 0 227.392 3.050 10 0 BGAERO Cc1c(C[NH2+][C@@H](C)CC2CCCCC2)cnn1C ZINC000447062248 388049610 /nfs/dbraw/zinc/04/96/10/388049610.db2.gz YGEZLCWALWQZNA-LBPRGKRZSA-N 1 0 249.402 3.177 10 0 BGAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448075096 385024038 /nfs/dbraw/zinc/02/40/38/385024038.db2.gz SKYZFXAFZSMWHG-AWEZNQCLSA-N 1 0 243.350 3.433 10 0 BGAERO c1ccc2c(c1)OCC[C@H]2[NH2+]C1CC2(CCC2)C1 ZINC000448075097 385024022 /nfs/dbraw/zinc/02/40/22/385024022.db2.gz SKYZFXAFZSMWHG-CQSZACIVSA-N 1 0 243.350 3.433 10 0 BGAERO CC[C@@H]([NH2+]C1CC(F)(F)C1)C1CCCC1 ZINC000449287364 201859176 /nfs/dbraw/zinc/85/91/76/201859176.db2.gz WNPRZIRQDVWBKM-LLVKDONJSA-N 1 0 217.303 3.343 10 0 BGAERO CC[C@H]([NH2+]C1CC(F)(F)C1)C1CCCC1 ZINC000449287365 388167951 /nfs/dbraw/zinc/16/79/51/388167951.db2.gz WNPRZIRQDVWBKM-NSHDSACASA-N 1 0 217.303 3.343 10 0 BGAERO CSCC1CCC([NH2+]C2CC(F)(F)C2)CC1 ZINC000449288703 388168390 /nfs/dbraw/zinc/16/83/90/388168390.db2.gz ZOFSSABDXYPPBE-UHFFFAOYSA-N 1 0 249.370 3.296 10 0 BGAERO CC[C@H]([NH2+]CC1C[C@H](C)O[C@@H](C)C1)C1CCC1 ZINC000449304946 201862263 /nfs/dbraw/zinc/86/22/63/201862263.db2.gz QLBHBSBZGNQCKG-HUBLWGQQSA-N 1 0 239.403 3.358 10 0 BGAERO CC[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCC1 ZINC000449304947 201863191 /nfs/dbraw/zinc/86/31/91/201863191.db2.gz QLBHBSBZGNQCKG-JMSVASOKSA-N 1 0 239.403 3.358 10 0 BGAERO CC[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000449304948 388170574 /nfs/dbraw/zinc/17/05/74/388170574.db2.gz QLBHBSBZGNQCKG-QVHKTLOISA-N 1 0 239.403 3.358 10 0 BGAERO CC[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCC1 ZINC000449304949 201862777 /nfs/dbraw/zinc/86/27/77/201862777.db2.gz QLBHBSBZGNQCKG-XFMPKHEZSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]CC2CCCCC2)C[C@H](C)O1 ZINC000466424669 388118467 /nfs/dbraw/zinc/11/84/67/388118467.db2.gz JODDGSYWRACEDJ-AGGWBTHJSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1CC(C[NH2+]CC2CCCCC2)C[C@@H](C)O1 ZINC000466424670 388118674 /nfs/dbraw/zinc/11/86/74/388118674.db2.gz JODDGSYWRACEDJ-CHWSQXEVSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@H]1CC(C[NH2+]CC2CCCCC2)C[C@H](C)O1 ZINC000466424671 388118250 /nfs/dbraw/zinc/11/82/50/388118250.db2.gz JODDGSYWRACEDJ-STQMWFEESA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1CC(C[NH2+][C@H]2CCCC2(C)C)C[C@@H](C)O1 ZINC000467428729 534147726 /nfs/dbraw/zinc/14/77/26/534147726.db2.gz IFUQTUJMQYXQNF-BZPMIXESSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCC2(C)C)C[C@H](C)O1 ZINC000467428730 225011658 /nfs/dbraw/zinc/01/16/58/225011658.db2.gz IFUQTUJMQYXQNF-CRWXNKLISA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC2(C)C)C[C@H](C)O1 ZINC000467428731 225011773 /nfs/dbraw/zinc/01/17/73/225011773.db2.gz IFUQTUJMQYXQNF-XJFOESAGSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCC2(C)C)C[C@@H](C)O1 ZINC000467428732 534148428 /nfs/dbraw/zinc/14/84/28/534148428.db2.gz IFUQTUJMQYXQNF-YRGRVCCFSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)C1CC([NH2+]CC2C[C@@H](C)O[C@H](C)C2)C1 ZINC000467433706 527625447 /nfs/dbraw/zinc/62/54/47/527625447.db2.gz RTELRYWOBCTXKW-HGWMRPEMSA-N 1 0 239.403 3.214 10 0 BGAERO CC(C)C1CC([NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000467433707 527626999 /nfs/dbraw/zinc/62/69/99/527626999.db2.gz RTELRYWOBCTXKW-LDMWTAMHSA-N 1 0 239.403 3.214 10 0 BGAERO CC(C)C1CC([NH2+]CC2C[C@H](C)O[C@@H](C)C2)C1 ZINC000467433708 527625731 /nfs/dbraw/zinc/62/57/31/527625731.db2.gz RTELRYWOBCTXKW-XOEAPDPESA-N 1 0 239.403 3.214 10 0 BGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000467446079 225013210 /nfs/dbraw/zinc/01/32/10/225013210.db2.gz VDSXAJTVUSLTSW-CRWXNKLISA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000467446080 533369475 /nfs/dbraw/zinc/36/94/75/533369475.db2.gz VDSXAJTVUSLTSW-JHJVBQTASA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CCCC1 ZINC000467446082 225013539 /nfs/dbraw/zinc/01/35/39/225013539.db2.gz VDSXAJTVUSLTSW-UPJWGTAASA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000467446083 225012861 /nfs/dbraw/zinc/01/28/61/225012861.db2.gz VDSXAJTVUSLTSW-XJFOESAGSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000467447404 534148705 /nfs/dbraw/zinc/14/87/05/534148705.db2.gz SYODZLPNCMQEEA-KYEXWDHISA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000467447405 534148157 /nfs/dbraw/zinc/14/81/57/534148157.db2.gz SYODZLPNCMQEEA-RGCMKSIDSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000467447406 225013197 /nfs/dbraw/zinc/01/31/97/225013197.db2.gz SYODZLPNCMQEEA-SBJFKYEJSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000467447407 225013273 /nfs/dbraw/zinc/01/32/73/225013273.db2.gz SYODZLPNCMQEEA-UXXRCYHCSA-N 1 0 239.403 3.358 10 0 BGAERO Cc1c(C[NH2+][C@H](C)CC2CCCCC2)cnn1C ZINC000487166427 225289049 /nfs/dbraw/zinc/28/90/49/225289049.db2.gz YGEZLCWALWQZNA-GFCCVEGCSA-N 1 0 249.402 3.177 10 0 BGAERO CC[N@H+]1CC=C(c2c[nH]c3ccc(F)cc23)CC1 ZINC000498050233 528958446 /nfs/dbraw/zinc/95/84/46/528958446.db2.gz FTXJUSWPOBJLPP-UHFFFAOYSA-N 1 0 244.313 3.416 10 0 BGAERO C/C(=C/c1ccccc1)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000501384055 527506905 /nfs/dbraw/zinc/50/69/05/527506905.db2.gz VTZMELXIODTNBG-DHBRIPKISA-N 1 0 245.366 3.247 10 0 BGAERO C/C(=C/c1ccccc1)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000501384056 527506372 /nfs/dbraw/zinc/50/63/72/527506372.db2.gz VTZMELXIODTNBG-HBOAGIKPSA-N 1 0 245.366 3.247 10 0 BGAERO CC(C)Oc1cccc([C@]2(C)CC[NH2+]C[C@@H]2C)c1 ZINC000503959511 528244217 /nfs/dbraw/zinc/24/42/17/528244217.db2.gz NTWORXDFAQQTHC-XJKSGUPXSA-N 1 0 247.382 3.361 10 0 BGAERO CC[NH2+]C1(c2ccc(OC)cc2)CCCCC1 ZINC000504418631 528276926 /nfs/dbraw/zinc/27/69/26/528276926.db2.gz AVQXYMGYZVAVCH-UHFFFAOYSA-N 1 0 233.355 3.464 10 0 BGAERO Fc1ccc(C2=C[NH+]3CCC2CC3)c(F)c1 ZINC000521399162 386428454 /nfs/dbraw/zinc/42/84/54/386428454.db2.gz GFSSSOPOQZCBMQ-UHFFFAOYSA-N 1 0 221.250 3.031 10 0 BGAERO CCSc1ncc2cc(Cl)ccn21 ZINC000521399269 386424424 /nfs/dbraw/zinc/42/44/24/386424424.db2.gz YELVOKAJEVAWRI-UHFFFAOYSA-N 1 0 212.705 3.100 10 0 BGAERO CCCn1c(Br)cnc1C(C)C ZINC000521400799 411212270 /nfs/dbraw/zinc/21/22/70/411212270.db2.gz PMMYKMMYUJDISG-UHFFFAOYSA-N 1 0 231.137 3.179 10 0 BGAERO [NH3+]Cc1nccc2c(Cl)ccc(Cl)c21 ZINC000521400870 386449868 /nfs/dbraw/zinc/44/98/68/386449868.db2.gz GDEZMDHOLCPLMI-UHFFFAOYSA-N 1 0 227.094 3.000 10 0 BGAERO [NH3+][C@H]1CC[C@@H](c2c[nH]c3c2cccc3Cl)C1 ZINC000527400787 368145131 /nfs/dbraw/zinc/14/51/31/368145131.db2.gz YSWVUIJRHAOGLP-BDAKNGLRSA-N 1 0 234.730 3.416 10 0 BGAERO [NH3+][C@@H]1CC[C@H](c2c[nH]c3c2cccc3Cl)C1 ZINC000527400788 368146010 /nfs/dbraw/zinc/14/60/10/368146010.db2.gz YSWVUIJRHAOGLP-DTWKUNHWSA-N 1 0 234.730 3.416 10 0 BGAERO [NH3+][C@H]1CC[C@H](c2c[nH]c3c2cccc3Cl)C1 ZINC000527400789 368145300 /nfs/dbraw/zinc/14/53/00/368145300.db2.gz YSWVUIJRHAOGLP-IUCAKERBSA-N 1 0 234.730 3.416 10 0 BGAERO Cc1cc(C[NH2+][C@H]2CC23CCCCC3)ccn1 ZINC000527724380 387676874 /nfs/dbraw/zinc/67/68/74/387676874.db2.gz DBOYYYFAFDEYRC-AWEZNQCLSA-N 1 0 230.355 3.202 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2CC23CCCCC3)ccn1 ZINC000527724383 387677554 /nfs/dbraw/zinc/67/75/54/387677554.db2.gz DBOYYYFAFDEYRC-CQSZACIVSA-N 1 0 230.355 3.202 10 0 BGAERO c1cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2[nH]1 ZINC000527724571 387676972 /nfs/dbraw/zinc/67/69/72/387676972.db2.gz OSZGOSRQEXCTLB-RRFJBIMHSA-N 1 0 240.350 3.446 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2CC=CC2)c1C ZINC000527945465 323723617 /nfs/dbraw/zinc/72/36/17/323723617.db2.gz RPUZTFKQFHIZNT-LLVKDONJSA-N 1 0 247.386 3.137 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CC2CC=CC2)c1C ZINC000527945476 323724272 /nfs/dbraw/zinc/72/42/72/323724272.db2.gz RPUZTFKQFHIZNT-NSHDSACASA-N 1 0 247.386 3.137 10 0 BGAERO CC1(C)[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@@H]2CCO[C@@H]21 ZINC000527979939 262897023 /nfs/dbraw/zinc/89/70/23/262897023.db2.gz NIOVPFUGZLZCHZ-BARDWOONSA-N 1 0 249.398 3.136 10 0 BGAERO CC1(C)[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@H]2CCO[C@H]21 ZINC000527985212 387802439 /nfs/dbraw/zinc/80/24/39/387802439.db2.gz NIOVPFUGZLZCHZ-KBUPBQIOSA-N 1 0 249.398 3.136 10 0 BGAERO CC1(C)[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@@H]2CCO[C@H]21 ZINC000527985215 387802196 /nfs/dbraw/zinc/80/21/96/387802196.db2.gz NIOVPFUGZLZCHZ-LXTVHRRPSA-N 1 0 249.398 3.136 10 0 BGAERO CC1(C)[C@H]([NH2+]CC[C@@H]2CC=CCC2)[C@H]2CCO[C@@H]21 ZINC000527985218 387802822 /nfs/dbraw/zinc/80/28/22/387802822.db2.gz NIOVPFUGZLZCHZ-TUVASFSCSA-N 1 0 249.398 3.136 10 0 BGAERO CC(C)C1([NH2+]Cc2ncccc2Cl)CC1 ZINC000528513752 388540233 /nfs/dbraw/zinc/54/02/33/388540233.db2.gz VNXXNXPOBVUJEZ-UHFFFAOYSA-N 1 0 224.735 3.013 10 0 BGAERO CC1(C)CC(C[NH2+][C@H]2CCc3c2cccc3O)C1 ZINC000528521214 388542352 /nfs/dbraw/zinc/54/23/52/388542352.db2.gz ZVPXSUHWLAMNQP-AWEZNQCLSA-N 1 0 245.366 3.405 10 0 BGAERO CC1(C)CC(C[NH2+][C@@H]2CCc3c2cccc3O)C1 ZINC000528521217 388542567 /nfs/dbraw/zinc/54/25/67/388542567.db2.gz ZVPXSUHWLAMNQP-CQSZACIVSA-N 1 0 245.366 3.405 10 0 BGAERO Clc1cccnc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000528538322 384838268 /nfs/dbraw/zinc/83/82/68/384838268.db2.gz NLGRJMRYQWMJQZ-HOSYDEDBSA-N 1 0 236.746 3.013 10 0 BGAERO [NH3+][C@@H]1CCc2c1cccc2-c1cnc(C2CC2)o1 ZINC000530249712 388640153 /nfs/dbraw/zinc/64/01/53/388640153.db2.gz DUESSUJVIOCMRE-CYBMUJFWSA-N 1 0 240.306 3.165 10 0 BGAERO [NH3+][C@H]1CCc2c1cccc2-c1cnc(C2CC2)o1 ZINC000530249713 324559448 /nfs/dbraw/zinc/55/94/48/324559448.db2.gz DUESSUJVIOCMRE-ZDUSSCGKSA-N 1 0 240.306 3.165 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000530250144 324559354 /nfs/dbraw/zinc/55/93/54/324559354.db2.gz GWMSUQOPONOIAE-SECBINFHSA-N 1 0 228.295 3.239 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000530250145 388640518 /nfs/dbraw/zinc/64/05/18/388640518.db2.gz GWMSUQOPONOIAE-VIFPVBQESA-N 1 0 228.295 3.239 10 0 BGAERO C[C@H]([NH3+])Cc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000530251523 388640072 /nfs/dbraw/zinc/64/00/72/388640072.db2.gz SNFPGFYFQNOPRC-JTQLQIEISA-N 1 0 242.322 3.109 10 0 BGAERO C[C@@H]([NH3+])Cc1ccc(-c2cnc(C3CC3)o2)cc1 ZINC000530251525 388640420 /nfs/dbraw/zinc/64/04/20/388640420.db2.gz SNFPGFYFQNOPRC-SNVBAGLBSA-N 1 0 242.322 3.109 10 0 BGAERO FC1(F)CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000536949582 387160328 /nfs/dbraw/zinc/16/03/28/387160328.db2.gz BHOGOYCNAADWES-CHWSQXEVSA-N 1 0 237.293 3.164 10 0 BGAERO FC1(F)CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000536949603 387160442 /nfs/dbraw/zinc/16/04/42/387160442.db2.gz BHOGOYCNAADWES-QWHCGFSZSA-N 1 0 237.293 3.164 10 0 BGAERO FC1(F)CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000536949606 387160676 /nfs/dbraw/zinc/16/06/76/387160676.db2.gz BHOGOYCNAADWES-STQMWFEESA-N 1 0 237.293 3.164 10 0 BGAERO CCC1(CC)C[NH2+]C[C@H]1c1ccc(C)cc1 ZINC000536949687 387160720 /nfs/dbraw/zinc/16/07/20/387160720.db2.gz BCTBVCCXCOQXNI-AWEZNQCLSA-N 1 0 217.356 3.488 10 0 BGAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccc(C)cc1 ZINC000536949692 323951997 /nfs/dbraw/zinc/95/19/97/323951997.db2.gz BCTBVCCXCOQXNI-CQSZACIVSA-N 1 0 217.356 3.488 10 0 BGAERO Clc1ccc([C@H]2C[NH2+]CC23CCC3)cc1 ZINC000536950228 387162017 /nfs/dbraw/zinc/16/20/17/387162017.db2.gz DXZVXXYNIBQKGH-GFCCVEGCSA-N 1 0 221.731 3.197 10 0 BGAERO Clc1ccc([C@@H]2C[NH2+]CC23CCC3)cc1 ZINC000536950237 387161914 /nfs/dbraw/zinc/16/19/14/387161914.db2.gz DXZVXXYNIBQKGH-LBPRGKRZSA-N 1 0 221.731 3.197 10 0 BGAERO Clc1ccccc1[C@H]1C[NH2+]CC12CCC2 ZINC000536950769 387162022 /nfs/dbraw/zinc/16/20/22/387162022.db2.gz TUQHTWRSVXMTQF-LLVKDONJSA-N 1 0 221.731 3.197 10 0 BGAERO Clc1ccccc1[C@@H]1C[NH2+]CC12CCC2 ZINC000536950772 387162565 /nfs/dbraw/zinc/16/25/65/387162565.db2.gz TUQHTWRSVXMTQF-NSHDSACASA-N 1 0 221.731 3.197 10 0 BGAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccc(F)cc1 ZINC000536950777 323955219 /nfs/dbraw/zinc/95/52/19/323955219.db2.gz JTKNCYBWFXVMKE-CYBMUJFWSA-N 1 0 221.319 3.319 10 0 BGAERO CCC1(CC)C[NH2+]C[C@H]1c1ccc(F)cc1 ZINC000536950784 387162261 /nfs/dbraw/zinc/16/22/61/387162261.db2.gz JTKNCYBWFXVMKE-ZDUSSCGKSA-N 1 0 221.319 3.319 10 0 BGAERO CCC1(CC)C[NH2+]C[C@H]1c1ccccc1C ZINC000536950938 323955286 /nfs/dbraw/zinc/95/52/86/323955286.db2.gz MJFJXXQIXQQLMX-AWEZNQCLSA-N 1 0 217.356 3.488 10 0 BGAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccccc1C ZINC000536950940 387163727 /nfs/dbraw/zinc/16/37/27/387163727.db2.gz MJFJXXQIXQQLMX-CQSZACIVSA-N 1 0 217.356 3.488 10 0 BGAERO CCC1(CC)C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000536950966 387163559 /nfs/dbraw/zinc/16/35/59/387163559.db2.gz MTTJRNDOIOGCRJ-AWEZNQCLSA-N 1 0 217.356 3.488 10 0 BGAERO CCC1(CC)C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000536950969 387163297 /nfs/dbraw/zinc/16/32/97/387163297.db2.gz MTTJRNDOIOGCRJ-CQSZACIVSA-N 1 0 217.356 3.488 10 0 BGAERO CCC1(CC)C[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000536951318 387163218 /nfs/dbraw/zinc/16/32/18/387163218.db2.gz QCBABNSNVXFJNT-CYBMUJFWSA-N 1 0 221.319 3.319 10 0 BGAERO CCC1(CC)C[NH2+]C[C@H]1c1cccc(F)c1 ZINC000536951319 323956741 /nfs/dbraw/zinc/95/67/41/323956741.db2.gz QCBABNSNVXFJNT-ZDUSSCGKSA-N 1 0 221.319 3.319 10 0 BGAERO CCC1(CC)C[NH2+]C[C@@H]1c1ccccc1F ZINC000536951487 387163349 /nfs/dbraw/zinc/16/33/49/387163349.db2.gz RNRPAXIBLLGMKG-GFCCVEGCSA-N 1 0 221.319 3.319 10 0 BGAERO CCC1(CC)C[NH2+]C[C@H]1c1ccccc1F ZINC000536951488 323956371 /nfs/dbraw/zinc/95/63/71/323956371.db2.gz RNRPAXIBLLGMKG-LBPRGKRZSA-N 1 0 221.319 3.319 10 0 BGAERO Clc1cccc([C@H]2C[NH2+]CC23CCC3)c1 ZINC000536951659 387163926 /nfs/dbraw/zinc/16/39/26/387163926.db2.gz UKKOMPZJLDVHMZ-GFCCVEGCSA-N 1 0 221.731 3.197 10 0 BGAERO Clc1cccc([C@@H]2C[NH2+]CC23CCC3)c1 ZINC000536951662 323956659 /nfs/dbraw/zinc/95/66/59/323956659.db2.gz UKKOMPZJLDVHMZ-LBPRGKRZSA-N 1 0 221.731 3.197 10 0 BGAERO CC[C@@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000536952560 323959133 /nfs/dbraw/zinc/95/91/33/323959133.db2.gz DYOZJDHNGIKXKK-BXKDBHETSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000536952577 387165051 /nfs/dbraw/zinc/16/50/51/387165051.db2.gz DYOZJDHNGIKXKK-CABZTGNLSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000536952578 387165666 /nfs/dbraw/zinc/16/56/66/387165666.db2.gz DYOZJDHNGIKXKK-JOYOIKCWSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000536952581 323958891 /nfs/dbraw/zinc/95/88/91/323958891.db2.gz DYOZJDHNGIKXKK-SKDRFNHKSA-N 1 0 209.720 3.053 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@H]1c1ccccc1C ZINC000536953035 387165914 /nfs/dbraw/zinc/16/59/14/387165914.db2.gz GOQZVTZIUODRPR-GXTWGEPZSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@@H]1c1ccccc1C ZINC000536953043 387166028 /nfs/dbraw/zinc/16/60/28/387166028.db2.gz GOQZVTZIUODRPR-JSGCOSHPSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1C ZINC000536953044 387165201 /nfs/dbraw/zinc/16/52/01/387165201.db2.gz GOQZVTZIUODRPR-OCCSQVGLSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@H]1c1ccccc1C ZINC000536953045 387165872 /nfs/dbraw/zinc/16/58/72/387165872.db2.gz GOQZVTZIUODRPR-TZMCWYRMSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000536953125 323959494 /nfs/dbraw/zinc/95/94/94/323959494.db2.gz HFAGLXLKLOWDBB-CMPLNLGQSA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000536953131 387164670 /nfs/dbraw/zinc/16/46/70/387164670.db2.gz HFAGLXLKLOWDBB-JQWIXIFHSA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000536953132 387165712 /nfs/dbraw/zinc/16/57/12/387165712.db2.gz HFAGLXLKLOWDBB-PWSUYJOCSA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000536953134 323960686 /nfs/dbraw/zinc/96/06/86/323960686.db2.gz HFAGLXLKLOWDBB-ZYHUDNBSSA-N 1 0 223.747 3.443 10 0 BGAERO CC(C)c1ccc([C@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536953863 538102262 /nfs/dbraw/zinc/10/22/62/538102262.db2.gz LFCXMVZNXRQLRD-HNNXBMFYSA-N 1 0 247.382 3.015 10 0 BGAERO CC(C)c1ccc([C@@H](C[NH3+])C2(CO)CCC2)cc1 ZINC000536953887 538102270 /nfs/dbraw/zinc/10/22/70/538102270.db2.gz LFCXMVZNXRQLRD-OAHLLOKOSA-N 1 0 247.382 3.015 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000536953952 538102295 /nfs/dbraw/zinc/10/22/95/538102295.db2.gz LZWHRYWTICDSQE-AAEUAGOBSA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000536953954 538102315 /nfs/dbraw/zinc/10/23/15/538102315.db2.gz LZWHRYWTICDSQE-DGCLKSJQSA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000536953955 538102242 /nfs/dbraw/zinc/10/22/42/538102242.db2.gz LZWHRYWTICDSQE-WCQYABFASA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000536953956 538102256 /nfs/dbraw/zinc/10/22/56/538102256.db2.gz LZWHRYWTICDSQE-YPMHNXCESA-N 1 0 223.747 3.443 10 0 BGAERO CN(C)Cc1nc(C2C(C)(C)C2(C)C)cs1 ZINC000536954329 398197948 /nfs/dbraw/zinc/19/79/48/398197948.db2.gz KUAUCVHZAPMKKM-UHFFFAOYSA-N 1 0 238.400 3.354 10 0 BGAERO CC[C@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000536954497 323962608 /nfs/dbraw/zinc/96/26/08/323962608.db2.gz QARAAPBSPOHHLQ-GXSJLCMTSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000536954504 398197960 /nfs/dbraw/zinc/19/79/60/398197960.db2.gz QARAAPBSPOHHLQ-KOLCDFICSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@@H]1C[NH2+]C[C@H]1c1ccccc1Cl ZINC000536954507 323963331 /nfs/dbraw/zinc/96/33/31/323963331.db2.gz QARAAPBSPOHHLQ-MWLCHTKSSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@H]1C[NH2+]C[C@@H]1c1ccccc1Cl ZINC000536954508 398197905 /nfs/dbraw/zinc/19/79/05/398197905.db2.gz QARAAPBSPOHHLQ-ONGXEEELSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000536954559 323963577 /nfs/dbraw/zinc/96/35/77/323963577.db2.gz QJTOPRGABLLXPF-BXKDBHETSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000536954563 387168349 /nfs/dbraw/zinc/16/83/49/387168349.db2.gz QJTOPRGABLLXPF-CABZTGNLSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000536954564 387167663 /nfs/dbraw/zinc/16/76/63/387167663.db2.gz QJTOPRGABLLXPF-JOYOIKCWSA-N 1 0 209.720 3.053 10 0 BGAERO CC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000536954565 323963233 /nfs/dbraw/zinc/96/32/33/323963233.db2.gz QJTOPRGABLLXPF-SKDRFNHKSA-N 1 0 209.720 3.053 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000536954620 323963642 /nfs/dbraw/zinc/96/36/42/323963642.db2.gz QUPTWAOELAAAAE-KBPBESRZSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@H]1c1cccc(C)c1 ZINC000536954621 387168260 /nfs/dbraw/zinc/16/82/60/387168260.db2.gz QUPTWAOELAAAAE-KGLIPLIRSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000536954622 387167851 /nfs/dbraw/zinc/16/78/51/387167851.db2.gz QUPTWAOELAAAAE-UONOGXRCSA-N 1 0 203.329 3.098 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1cccc(C)c1 ZINC000536954623 387168272 /nfs/dbraw/zinc/16/82/72/387168272.db2.gz QUPTWAOELAAAAE-ZIAGYGMSSA-N 1 0 203.329 3.098 10 0 BGAERO CC(C)c1ccc([C@@H]2C[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC000536954767 323963191 /nfs/dbraw/zinc/96/31/91/323963191.db2.gz LXJWLQKEGUCREW-ILXRZTDVSA-N 1 0 215.340 3.133 10 0 BGAERO CC(C)c1ccc([C@@H]2C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC000536954775 323963649 /nfs/dbraw/zinc/96/36/49/323963649.db2.gz LXJWLQKEGUCREW-KKUMJFAQSA-N 1 0 215.340 3.133 10 0 BGAERO CC(C)c1ccc([C@@H]2C[C@@H]3C[NH2+]C[C@@H]23)cc1 ZINC000536954778 323963465 /nfs/dbraw/zinc/96/34/65/323963465.db2.gz LXJWLQKEGUCREW-QLFBSQMISA-N 1 0 215.340 3.133 10 0 BGAERO CC(C)c1ccc([C@@H]2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000536954779 387167781 /nfs/dbraw/zinc/16/77/81/387167781.db2.gz LXJWLQKEGUCREW-SOUVJXGZSA-N 1 0 215.340 3.133 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000536955500 387168519 /nfs/dbraw/zinc/16/85/19/387168519.db2.gz ZXSYCMRLLFFUEJ-AAEUAGOBSA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000536955507 387168239 /nfs/dbraw/zinc/16/82/39/387168239.db2.gz ZXSYCMRLLFFUEJ-DGCLKSJQSA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@H]1C[NH2+]C[C@@H]1c1ccc(Cl)cc1 ZINC000536955508 387167323 /nfs/dbraw/zinc/16/73/23/387167323.db2.gz ZXSYCMRLLFFUEJ-WCQYABFASA-N 1 0 223.747 3.443 10 0 BGAERO CCC[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000536955509 323965693 /nfs/dbraw/zinc/96/56/93/323965693.db2.gz ZXSYCMRLLFFUEJ-YPMHNXCESA-N 1 0 223.747 3.443 10 0 BGAERO CC(C)n1ccc([C@H]2[NH2+]CC23CCCC3)c1 ZINC000536956834 360007580 /nfs/dbraw/zinc/00/75/80/360007580.db2.gz AKMAWKJJQCEIOE-CYBMUJFWSA-N 1 0 218.344 3.274 10 0 BGAERO CC(C)n1ccc([C@@H]2[NH2+]CC23CCCC3)c1 ZINC000536956846 360007653 /nfs/dbraw/zinc/00/76/53/360007653.db2.gz AKMAWKJJQCEIOE-ZDUSSCGKSA-N 1 0 218.344 3.274 10 0 BGAERO CC(C)Cn1cc([C@@H]2[NH2+]CC23CCCCC3)cn1 ZINC000536957091 323967867 /nfs/dbraw/zinc/96/78/67/323967867.db2.gz BGZGNZOCEFFNBN-AWEZNQCLSA-N 1 0 247.386 3.134 10 0 BGAERO CC(C)Cn1cc([C@H]2[NH2+]CC23CCCCC3)cn1 ZINC000536957095 387170679 /nfs/dbraw/zinc/17/06/79/387170679.db2.gz BGZGNZOCEFFNBN-CQSZACIVSA-N 1 0 247.386 3.134 10 0 BGAERO CC(C)Cn1ccc([C@@H]2[NH2+]CC23CCCC3)c1 ZINC000536958456 398199034 /nfs/dbraw/zinc/19/90/34/398199034.db2.gz FTGXEAAGPASDML-AWEZNQCLSA-N 1 0 232.371 3.349 10 0 BGAERO CC(C)Cn1ccc([C@H]2[NH2+]CC23CCCC3)c1 ZINC000536958466 398198984 /nfs/dbraw/zinc/19/89/84/398198984.db2.gz FTGXEAAGPASDML-CQSZACIVSA-N 1 0 232.371 3.349 10 0 BGAERO CCn1ccc([C@H]2[NH2+]CC23CCCCC3)c1 ZINC000536961167 323975202 /nfs/dbraw/zinc/97/52/02/323975202.db2.gz XVJSEGYKMFBBQZ-CYBMUJFWSA-N 1 0 218.344 3.103 10 0 BGAERO CCn1ccc([C@@H]2[NH2+]CC23CCCCC3)c1 ZINC000536961169 323974962 /nfs/dbraw/zinc/97/49/62/323974962.db2.gz XVJSEGYKMFBBQZ-ZDUSSCGKSA-N 1 0 218.344 3.103 10 0 BGAERO c1ccc2nc(C[NH2+]C3(C4CC4)CC3)ccc2c1 ZINC000542522312 325033420 /nfs/dbraw/zinc/03/34/20/325033420.db2.gz TXPRLFSJXPUSOA-UHFFFAOYSA-N 1 0 238.334 3.267 10 0 BGAERO CC[C@@H]1CCC[C@@H]1[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000545980703 325253294 /nfs/dbraw/zinc/25/32/94/325253294.db2.gz RFKZKQFYQDDESD-GBOPCIDUSA-N 1 0 239.403 3.358 10 0 BGAERO CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000545980709 325253259 /nfs/dbraw/zinc/25/32/59/325253259.db2.gz RFKZKQFYQDDESD-KHMAMNHCSA-N 1 0 239.403 3.358 10 0 BGAERO CC[C@@H]1CCC[C@@H]1[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000545980710 325253556 /nfs/dbraw/zinc/25/35/56/325253556.db2.gz RFKZKQFYQDDESD-VIRABCJISA-N 1 0 239.403 3.358 10 0 BGAERO CC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000545980711 325253343 /nfs/dbraw/zinc/25/33/43/325253343.db2.gz RFKZKQFYQDDESD-XLWJZTARSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000547394940 325350509 /nfs/dbraw/zinc/35/05/09/325350509.db2.gz BSKFEGOJZABSHA-JMSVASOKSA-N 1 0 239.403 3.214 10 0 BGAERO CC(C)[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)C1CC1 ZINC000547394941 325350476 /nfs/dbraw/zinc/35/04/76/325350476.db2.gz BSKFEGOJZABSHA-LALPHHSUSA-N 1 0 239.403 3.214 10 0 BGAERO CC(C)[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000547394942 325350487 /nfs/dbraw/zinc/35/04/87/325350487.db2.gz BSKFEGOJZABSHA-QVHKTLOISA-N 1 0 239.403 3.214 10 0 BGAERO CC(C)[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000547394943 325350488 /nfs/dbraw/zinc/35/04/88/325350488.db2.gz BSKFEGOJZABSHA-XFMPKHEZSA-N 1 0 239.403 3.214 10 0 BGAERO C[C@@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccoc1 ZINC000547395444 325350698 /nfs/dbraw/zinc/35/06/98/325350698.db2.gz FBERYDCRHNIMIE-IJLUTSLNSA-N 1 0 237.343 3.134 10 0 BGAERO C[C@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccoc1 ZINC000547395445 325350845 /nfs/dbraw/zinc/35/08/45/325350845.db2.gz FBERYDCRHNIMIE-RNJOBUHISA-N 1 0 237.343 3.134 10 0 BGAERO C[C@H]([NH2+]CC1C[C@@H](C)O[C@H](C)C1)c1ccoc1 ZINC000547395446 325350593 /nfs/dbraw/zinc/35/05/93/325350593.db2.gz FBERYDCRHNIMIE-UTUOFQBUSA-N 1 0 237.343 3.134 10 0 BGAERO C[C@@H]([NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)c1ccoc1 ZINC000547395447 325350750 /nfs/dbraw/zinc/35/07/50/325350750.db2.gz FBERYDCRHNIMIE-YVECIDJPSA-N 1 0 237.343 3.134 10 0 BGAERO C[C@H](C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CCCCC1 ZINC000549709203 388588375 /nfs/dbraw/zinc/58/83/75/388588375.db2.gz SVYNUCWTFTYPOM-BPLDGKMQSA-N 1 0 239.403 3.048 10 0 BGAERO C[C@@H](C[N@H+](C)[C@@H]1CCC[C@H]1O)C1CCCCC1 ZINC000549709204 388588721 /nfs/dbraw/zinc/58/87/21/388588721.db2.gz SVYNUCWTFTYPOM-NWANDNLSSA-N 1 0 239.403 3.048 10 0 BGAERO C[C@H](CC1CCCC1)[NH2+][C@@H]1CCCCC[C@H]1O ZINC000554121366 325707466 /nfs/dbraw/zinc/70/74/66/325707466.db2.gz ORWJZQZSKCKNAK-BPLDGKMQSA-N 1 0 239.403 3.238 10 0 BGAERO FC1(F)CC([NH2+]Cc2ccnc3ccccc23)C1 ZINC000559252420 384895138 /nfs/dbraw/zinc/89/51/38/384895138.db2.gz XVJNIZHKLHWAHS-UHFFFAOYSA-N 1 0 248.276 3.122 10 0 BGAERO CC(C)c1noc(C[NH2+]C2(C3CCC3)CCC2)n1 ZINC000560603453 384252959 /nfs/dbraw/zinc/25/29/59/384252959.db2.gz TYUMAUZDDQUBHW-UHFFFAOYSA-N 1 0 249.358 3.005 10 0 BGAERO FC1(F)CCCC[C@@H]1C[NH2+]C1(C2CC2)CC1 ZINC000563678804 323161720 /nfs/dbraw/zinc/16/17/20/323161720.db2.gz PSWTXIYOYGJVGR-LLVKDONJSA-N 1 0 229.314 3.344 10 0 BGAERO FC1(F)CCCC[C@H]1C[NH2+]C1(C2CC2)CC1 ZINC000563678814 323161731 /nfs/dbraw/zinc/16/17/31/323161731.db2.gz PSWTXIYOYGJVGR-NSHDSACASA-N 1 0 229.314 3.344 10 0 BGAERO C[C@H](CC1CCCCC1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000566985235 326100232 /nfs/dbraw/zinc/10/02/32/326100232.db2.gz BJKWILKYPZRXGT-BPLDGKMQSA-N 1 0 239.403 3.238 10 0 BGAERO C[C@@H]1CC(C[NH2+][C@H]2CCCC23CC3)C[C@@H](C)O1 ZINC000570410302 323058703 /nfs/dbraw/zinc/05/87/03/323058703.db2.gz GLHYZKVMUMYZPC-BZPMIXESSA-N 1 0 237.387 3.112 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@H]2CCCC23CC3)C[C@H](C)O1 ZINC000570410303 323058830 /nfs/dbraw/zinc/05/88/30/323058830.db2.gz GLHYZKVMUMYZPC-CRWXNKLISA-N 1 0 237.387 3.112 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+][C@@H]2CCCC23CC3)C[C@H](C)O1 ZINC000570410304 323058754 /nfs/dbraw/zinc/05/87/54/323058754.db2.gz GLHYZKVMUMYZPC-XJFOESAGSA-N 1 0 237.387 3.112 10 0 BGAERO C[C@@H]1CC(C[NH2+][C@@H]2CCCC23CC3)C[C@@H](C)O1 ZINC000570410305 323058748 /nfs/dbraw/zinc/05/87/48/323058748.db2.gz GLHYZKVMUMYZPC-YRGRVCCFSA-N 1 0 237.387 3.112 10 0 BGAERO CC(C)C[C@@H](C)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574319659 365036316 /nfs/dbraw/zinc/03/63/16/365036316.db2.gz BFQFJCHAMXVUIB-APIJFGDWSA-N 1 0 241.419 3.462 10 0 BGAERO CC(C)C[C@H](C)C[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000574319662 365036133 /nfs/dbraw/zinc/03/61/33/365036133.db2.gz BFQFJCHAMXVUIB-BFHYXJOUSA-N 1 0 241.419 3.462 10 0 BGAERO CC(C)C[C@H](C)C[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000574319663 365036276 /nfs/dbraw/zinc/03/62/76/365036276.db2.gz BFQFJCHAMXVUIB-IHRRRGAJSA-N 1 0 241.419 3.462 10 0 BGAERO CC(C)C[C@H](C)C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000574319666 365036388 /nfs/dbraw/zinc/03/63/88/365036388.db2.gz BFQFJCHAMXVUIB-XQLPTFJDSA-N 1 0 241.419 3.462 10 0 BGAERO CCC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)C1CCCC1 ZINC000574414758 344848384 /nfs/dbraw/zinc/84/83/84/344848384.db2.gz VHCXDSFIIWHSQH-RBSFLKMASA-N 1 0 239.403 3.238 10 0 BGAERO CC(C)C[NH+](Cc1ccccc1)CC(C)C ZINC000575154575 346438520 /nfs/dbraw/zinc/43/85/20/346438520.db2.gz AUYWKJDQIANGFW-UHFFFAOYSA-N 1 0 218.364 3.456 10 0 BGAERO C[N@H+](Cc1ccccc1)C1CCCCC1 ZINC000575154964 346437658 /nfs/dbraw/zinc/43/76/58/346437658.db2.gz SPUGZEYGSKCIQP-UHFFFAOYSA-N 1 0 202.321 3.106 10 0 BGAERO CC(C)(C)c1ccc(C[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000575157007 346441225 /nfs/dbraw/zinc/44/12/25/346441225.db2.gz WGTPCOYOLATKQK-GOEBONIOSA-N 1 0 229.367 3.136 10 0 BGAERO CC(C)(C)c1ccc(C[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000575157009 346441080 /nfs/dbraw/zinc/44/10/80/346441080.db2.gz WGTPCOYOLATKQK-ZBFHGGJFSA-N 1 0 229.367 3.136 10 0 BGAERO Fc1cccc(C[NH+]2CCCCCC2)c1 ZINC000575191174 386299535 /nfs/dbraw/zinc/29/95/35/386299535.db2.gz KYXJGVAFWUOJQT-UHFFFAOYSA-N 1 0 206.284 3.015 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000575191237 386303018 /nfs/dbraw/zinc/30/30/18/386303018.db2.gz TXYGLKNTZKAOIJ-LLVKDONJSA-N 1 0 206.284 3.014 10 0 BGAERO C[C@H]1CCCC[N@@H+]1Cc1cccc(F)c1 ZINC000575191238 386978880 /nfs/dbraw/zinc/97/88/80/386978880.db2.gz TXYGLKNTZKAOIJ-NSHDSACASA-N 1 0 206.284 3.014 10 0 BGAERO C[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000575191243 386977641 /nfs/dbraw/zinc/97/76/41/386977641.db2.gz UGOQPVXEWFTOSJ-LLVKDONJSA-N 1 0 206.284 3.014 10 0 BGAERO C[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC000575191244 386978092 /nfs/dbraw/zinc/97/80/92/386978092.db2.gz UGOQPVXEWFTOSJ-NSHDSACASA-N 1 0 206.284 3.014 10 0 BGAERO COc1cc2ccnc(C(C)C)c2cc1OC ZINC000575332124 386681099 /nfs/dbraw/zinc/68/10/99/386681099.db2.gz OMPAMPGJHAJJFK-UHFFFAOYSA-N 1 0 231.295 3.375 10 0 BGAERO CC(C)(C)c1cc(C(C)(C)C)c(C[NH3+])cn1 ZINC000575433873 398327862 /nfs/dbraw/zinc/32/78/62/398327862.db2.gz RPWYIXPKKDLMNX-UHFFFAOYSA-N 1 0 220.360 3.135 10 0 BGAERO Cc1cc(Cl)ccc1[C@H]([NH3+])CC(F)F ZINC000575436591 387117065 /nfs/dbraw/zinc/11/70/65/387117065.db2.gz CLSRNZWVYCIXSA-SECBINFHSA-N 1 0 219.662 3.303 10 0 BGAERO COc1cc([C@H]([NH3+])CC(F)F)ccc1Cl ZINC000575436684 387117102 /nfs/dbraw/zinc/11/71/02/387117102.db2.gz FTNLYFLCYCCCDL-MRVPVSSYSA-N 1 0 235.661 3.004 10 0 BGAERO [NH3+][C@H](CC(F)F)c1c(F)cc(Cl)cc1F ZINC000575436913 387104755 /nfs/dbraw/zinc/10/47/55/387104755.db2.gz KQUDTXMFPSMULO-SSDOTTSWSA-N 1 0 241.615 3.273 10 0 BGAERO Cc1ccc(Cl)c([C@H]([NH3+])CC(F)F)c1F ZINC000575437246 387106442 /nfs/dbraw/zinc/10/64/42/387106442.db2.gz QZWDOXKULHSNDL-SSDOTTSWSA-N 1 0 237.652 3.443 10 0 BGAERO Cc1cc(C)c([C@@H]([NH3+])CC(F)F)c(C)c1 ZINC000575437249 387107369 /nfs/dbraw/zinc/10/73/69/387107369.db2.gz BSJGTGHETKKIKE-JTQLQIEISA-N 1 0 213.271 3.267 10 0 BGAERO Cc1cc(C)c([C@H]([NH3+])CC(F)F)c(C)c1 ZINC000575437255 387107065 /nfs/dbraw/zinc/10/70/65/387107065.db2.gz BSJGTGHETKKIKE-SNVBAGLBSA-N 1 0 213.271 3.267 10 0 BGAERO [NH3+][C@H](CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575437275 387106482 /nfs/dbraw/zinc/10/64/82/387106482.db2.gz CDQDTHDSLCMISF-MRVPVSSYSA-N 1 0 239.187 3.360 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]([NH3+])CC(F)F ZINC000575437293 387107005 /nfs/dbraw/zinc/10/70/05/387107005.db2.gz CLSRNZWVYCIXSA-VIFPVBQESA-N 1 0 219.662 3.303 10 0 BGAERO [NH3+][C@H](CC(F)F)c1cc(F)ccc1Cl ZINC000575437296 387107185 /nfs/dbraw/zinc/10/71/85/387107185.db2.gz CNJSZQYNKIKMCM-MRVPVSSYSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1cc(F)ccc1Cl ZINC000575437297 387107460 /nfs/dbraw/zinc/10/74/60/387107460.db2.gz CNJSZQYNKIKMCM-QMMMGPOBSA-N 1 0 223.625 3.134 10 0 BGAERO CSc1ccc([C@H]([NH3+])CC(F)F)cc1 ZINC000575437305 387106714 /nfs/dbraw/zinc/10/67/14/387106714.db2.gz RTOVISGGMJTOHJ-SECBINFHSA-N 1 0 217.284 3.064 10 0 BGAERO [NH3+][C@H](CC(F)F)c1ccc(F)cc1Cl ZINC000575437325 387107592 /nfs/dbraw/zinc/10/75/92/387107592.db2.gz DLHTTYDLHBEOED-MRVPVSSYSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1ccc(F)cc1Cl ZINC000575437326 387107268 /nfs/dbraw/zinc/10/72/68/387107268.db2.gz DLHTTYDLHBEOED-QMMMGPOBSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@H](CC(F)F)c1ccc(F)c(Cl)c1 ZINC000575437328 388621995 /nfs/dbraw/zinc/62/19/95/388621995.db2.gz DMBAGRUSJWQCRL-MRVPVSSYSA-N 1 0 223.625 3.134 10 0 BGAERO COc1ccc(Cl)cc1[C@H]([NH3+])CC(F)F ZINC000575437329 387106744 /nfs/dbraw/zinc/10/67/44/387106744.db2.gz RXSKNRVFPKCFAG-MRVPVSSYSA-N 1 0 235.661 3.004 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1ccc(F)c(Cl)c1 ZINC000575437385 387106188 /nfs/dbraw/zinc/10/61/88/387106188.db2.gz DMBAGRUSJWQCRL-QMMMGPOBSA-N 1 0 223.625 3.134 10 0 BGAERO Cc1ccc(F)c([C@H]([NH3+])CC(F)F)c1Cl ZINC000575437386 388621561 /nfs/dbraw/zinc/62/15/61/388621561.db2.gz DNAIRRKJPUNRCB-SSDOTTSWSA-N 1 0 237.652 3.443 10 0 BGAERO Cc1ccc(F)c([C@@H]([NH3+])CC(F)F)c1Cl ZINC000575437387 387106939 /nfs/dbraw/zinc/10/69/39/387106939.db2.gz DNAIRRKJPUNRCB-ZETCQYMHSA-N 1 0 237.652 3.443 10 0 BGAERO [NH3+][C@H](CC(F)F)c1c(F)cccc1Cl ZINC000575437408 387106521 /nfs/dbraw/zinc/10/65/21/387106521.db2.gz DWBZOIKKZCJNFM-SSDOTTSWSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1c(F)cccc1Cl ZINC000575437410 387106221 /nfs/dbraw/zinc/10/62/21/387106221.db2.gz DWBZOIKKZCJNFM-ZETCQYMHSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1c(F)ccc(F)c1Cl ZINC000575437441 387107022 /nfs/dbraw/zinc/10/70/22/387107022.db2.gz FCSHFWORCFVBIC-LURJTMIESA-N 1 0 241.615 3.273 10 0 BGAERO [NH3+][C@H](CC(F)F)c1c(F)ccc(F)c1Cl ZINC000575437442 387106194 /nfs/dbraw/zinc/10/61/94/387106194.db2.gz FCSHFWORCFVBIC-ZCFIWIBFSA-N 1 0 241.615 3.273 10 0 BGAERO COc1cc([C@@H]([NH3+])CC(F)F)ccc1Cl ZINC000575437453 387107730 /nfs/dbraw/zinc/10/77/30/387107730.db2.gz FTNLYFLCYCCCDL-QMMMGPOBSA-N 1 0 235.661 3.004 10 0 BGAERO [NH3+][C@H](CC(F)F)c1cccc2ccccc21 ZINC000575437462 387106807 /nfs/dbraw/zinc/10/68/07/387106807.db2.gz XHPJJDSASVRGNU-GFCCVEGCSA-N 1 0 221.250 3.495 10 0 BGAERO Cc1ccc([C@H]([NH3+])CC(F)F)cc1Cl ZINC000575437505 387108635 /nfs/dbraw/zinc/10/86/35/387108635.db2.gz HWQOZBLDKUFAMQ-SECBINFHSA-N 1 0 219.662 3.303 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CC(F)F)cc1Cl ZINC000575437508 387109475 /nfs/dbraw/zinc/10/94/75/387109475.db2.gz HWQOZBLDKUFAMQ-VIFPVBQESA-N 1 0 219.662 3.303 10 0 BGAERO [NH3+][C@H](CC(F)F)c1ccc2ccccc2c1 ZINC000575437509 387108626 /nfs/dbraw/zinc/10/86/26/387108626.db2.gz HXIAOMMRYFRPOR-GFCCVEGCSA-N 1 0 221.250 3.495 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1ccc2ccccc2c1 ZINC000575437510 387109673 /nfs/dbraw/zinc/10/96/73/387109673.db2.gz HXIAOMMRYFRPOR-LBPRGKRZSA-N 1 0 221.250 3.495 10 0 BGAERO [NH3+][C@H](CC(F)F)c1c(F)ccc(Cl)c1F ZINC000575437571 387108505 /nfs/dbraw/zinc/10/85/05/387108505.db2.gz ZDPRBDNBARVTPA-ZCFIWIBFSA-N 1 0 241.615 3.273 10 0 BGAERO Cc1cccc(Cl)c1[C@H]([NH3+])CC(F)F ZINC000575437586 387109122 /nfs/dbraw/zinc/10/91/22/387109122.db2.gz IUWRANPCALWTFD-MRVPVSSYSA-N 1 0 219.662 3.303 10 0 BGAERO Cc1cccc(Cl)c1[C@@H]([NH3+])CC(F)F ZINC000575437587 387108892 /nfs/dbraw/zinc/10/88/92/387108892.db2.gz IUWRANPCALWTFD-QMMMGPOBSA-N 1 0 219.662 3.303 10 0 BGAERO [NH3+][C@H](CC(F)F)c1cccc(C(F)(F)F)c1 ZINC000575437588 387109483 /nfs/dbraw/zinc/10/94/83/387109483.db2.gz IVTSHUJWIYJRLC-MRVPVSSYSA-N 1 0 239.187 3.360 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1cccc(C(F)(F)F)c1 ZINC000575437589 387109779 /nfs/dbraw/zinc/10/97/79/387109779.db2.gz IVTSHUJWIYJRLC-QMMMGPOBSA-N 1 0 239.187 3.360 10 0 BGAERO [NH3+][C@H](CC(F)F)c1cc(F)cc(Cl)c1 ZINC000575437597 387109086 /nfs/dbraw/zinc/10/90/86/387109086.db2.gz JEAXSOQXCWOPLW-MRVPVSSYSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1cc(F)cc(Cl)c1 ZINC000575437598 387108925 /nfs/dbraw/zinc/10/89/25/387108925.db2.gz JEAXSOQXCWOPLW-QMMMGPOBSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1c(F)cc(Cl)cc1F ZINC000575437627 387109378 /nfs/dbraw/zinc/10/93/78/387109378.db2.gz KQUDTXMFPSMULO-ZETCQYMHSA-N 1 0 241.615 3.273 10 0 BGAERO [NH3+][C@H](CC(F)F)c1ccccc1C(F)(F)F ZINC000575437640 387109158 /nfs/dbraw/zinc/10/91/58/387109158.db2.gz LKVDYDSRZIOTNN-MRVPVSSYSA-N 1 0 239.187 3.360 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1ccccc1C(F)(F)F ZINC000575437641 387109202 /nfs/dbraw/zinc/10/92/02/387109202.db2.gz LKVDYDSRZIOTNN-QMMMGPOBSA-N 1 0 239.187 3.360 10 0 BGAERO CC(C)Oc1ccc([C@H]([NH3+])CC(F)F)cc1 ZINC000575437673 387108562 /nfs/dbraw/zinc/10/85/62/387108562.db2.gz NRCFGFAYQXINTQ-LLVKDONJSA-N 1 0 229.270 3.129 10 0 BGAERO CC(C)Oc1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575437674 388622102 /nfs/dbraw/zinc/62/21/02/388622102.db2.gz NRCFGFAYQXINTQ-NSHDSACASA-N 1 0 229.270 3.129 10 0 BGAERO [NH3+][C@H](CC(F)F)c1ccc(Cl)cc1F ZINC000575437683 387108950 /nfs/dbraw/zinc/10/89/50/387108950.db2.gz OJBDPQSEBRNESJ-MRVPVSSYSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1ccc(Cl)cc1F ZINC000575437684 387108440 /nfs/dbraw/zinc/10/84/40/387108440.db2.gz OJBDPQSEBRNESJ-QMMMGPOBSA-N 1 0 223.625 3.134 10 0 BGAERO CC(C)c1ccc([C@H]([NH3+])CC(F)F)cc1 ZINC000575437714 387111264 /nfs/dbraw/zinc/11/12/64/387111264.db2.gz PONZIOBHIOENPO-LLVKDONJSA-N 1 0 213.271 3.465 10 0 BGAERO CC(C)c1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575437715 387111220 /nfs/dbraw/zinc/11/12/20/387111220.db2.gz PONZIOBHIOENPO-NSHDSACASA-N 1 0 213.271 3.465 10 0 BGAERO Cc1ccc(Cl)c([C@@H]([NH3+])CC(F)F)c1F ZINC000575437730 388622891 /nfs/dbraw/zinc/62/28/91/388622891.db2.gz QZWDOXKULHSNDL-ZETCQYMHSA-N 1 0 237.652 3.443 10 0 BGAERO CSc1ccc([C@@H]([NH3+])CC(F)F)cc1 ZINC000575437738 387110752 /nfs/dbraw/zinc/11/07/52/387110752.db2.gz RTOVISGGMJTOHJ-VIFPVBQESA-N 1 0 217.284 3.064 10 0 BGAERO COc1ccc(Cl)cc1[C@@H]([NH3+])CC(F)F ZINC000575437741 387111369 /nfs/dbraw/zinc/11/13/69/387111369.db2.gz RXSKNRVFPKCFAG-QMMMGPOBSA-N 1 0 235.661 3.004 10 0 BGAERO [NH3+][C@H](CC(F)F)c1cccc(Cl)c1F ZINC000575437771 387110572 /nfs/dbraw/zinc/11/05/72/387110572.db2.gz TXYWNBXYKZZXTR-SSDOTTSWSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1cccc(Cl)c1F ZINC000575437772 387110845 /nfs/dbraw/zinc/11/08/45/387110845.db2.gz TXYWNBXYKZZXTR-ZETCQYMHSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@H](CC(F)F)c1cc(Cl)ccc1F ZINC000575437782 387110632 /nfs/dbraw/zinc/11/06/32/387110632.db2.gz UKGWYLVHQLDBNY-MRVPVSSYSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1cc(Cl)ccc1F ZINC000575437785 387111312 /nfs/dbraw/zinc/11/13/12/387111312.db2.gz UKGWYLVHQLDBNY-QMMMGPOBSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CCF)c1cccc2ccccc21 ZINC000575437794 387111047 /nfs/dbraw/zinc/11/10/47/387111047.db2.gz AOIMSBVHKHCYAA-ZDUSSCGKSA-N 1 0 203.260 3.199 10 0 BGAERO [NH3+][C@@H](CCF)c1c(Cl)ccc(Cl)c1F ZINC000575437830 387110689 /nfs/dbraw/zinc/11/06/89/387110689.db2.gz ATQFUYRWZRJQTN-ZETCQYMHSA-N 1 0 240.080 3.492 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1ccc(C(F)(F)F)cc1 ZINC000575437883 387111302 /nfs/dbraw/zinc/11/13/02/387111302.db2.gz CDQDTHDSLCMISF-QMMMGPOBSA-N 1 0 239.187 3.360 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1cccc2ccccc21 ZINC000575437892 387111971 /nfs/dbraw/zinc/11/19/71/387111971.db2.gz XHPJJDSASVRGNU-LBPRGKRZSA-N 1 0 221.250 3.495 10 0 BGAERO [NH3+][C@H](CC(F)F)c1ccc(Cl)c(F)c1 ZINC000575437897 387112058 /nfs/dbraw/zinc/11/20/58/387112058.db2.gz XLUSHTRIGGECEI-MRVPVSSYSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1ccc(Cl)c(F)c1 ZINC000575437902 387113349 /nfs/dbraw/zinc/11/33/49/387113349.db2.gz XLUSHTRIGGECEI-QMMMGPOBSA-N 1 0 223.625 3.134 10 0 BGAERO [NH3+][C@@H](CC(F)F)c1c(F)ccc(Cl)c1F ZINC000575437932 387112830 /nfs/dbraw/zinc/11/28/30/387112830.db2.gz ZDPRBDNBARVTPA-LURJTMIESA-N 1 0 241.615 3.273 10 0 BGAERO COc1ccc(C(C)C)cc1[C@@H]([NH3+])CCF ZINC000575437946 387112592 /nfs/dbraw/zinc/11/25/92/387112592.db2.gz CUHASDBZWJWQQA-LBPRGKRZSA-N 1 0 225.307 3.178 10 0 BGAERO CC(C)(C)Oc1ccc([C@@H]([NH3+])CCF)cc1 ZINC000575437965 387113234 /nfs/dbraw/zinc/11/32/34/387113234.db2.gz DKCXOGMFPJCFPX-LBPRGKRZSA-N 1 0 225.307 3.223 10 0 BGAERO [NH3+][C@@H](CCF)c1c(Cl)cccc1Cl ZINC000575437971 387111998 /nfs/dbraw/zinc/11/19/98/387111998.db2.gz ALIAAHBZWNJASP-QMMMGPOBSA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@H](CCF)c1c(Cl)ccc(Cl)c1F ZINC000575437987 387112611 /nfs/dbraw/zinc/11/26/11/387112611.db2.gz ATQFUYRWZRJQTN-SSDOTTSWSA-N 1 0 240.080 3.492 10 0 BGAERO [NH3+][C@@H](CCF)c1cc(C(F)(F)F)ccc1F ZINC000575437992 387113506 /nfs/dbraw/zinc/11/35/06/387113506.db2.gz CGOACXZMDZHIBM-VIFPVBQESA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@H](CCF)c1cccc2ccccc21 ZINC000575438029 387113387 /nfs/dbraw/zinc/11/33/87/387113387.db2.gz AOIMSBVHKHCYAA-CYBMUJFWSA-N 1 0 203.260 3.199 10 0 BGAERO COc1ccc(C(C)C)cc1[C@H]([NH3+])CCF ZINC000575438044 388622833 /nfs/dbraw/zinc/62/28/33/388622833.db2.gz CUHASDBZWJWQQA-GFCCVEGCSA-N 1 0 225.307 3.178 10 0 BGAERO [NH3+][C@H](CCF)c1cc(C(F)(F)F)ccc1F ZINC000575438084 387111948 /nfs/dbraw/zinc/11/19/48/387111948.db2.gz CGOACXZMDZHIBM-SECBINFHSA-N 1 0 239.187 3.204 10 0 BGAERO CC(C)(C)Oc1ccc([C@H]([NH3+])CCF)cc1 ZINC000575438092 387112106 /nfs/dbraw/zinc/11/21/06/387112106.db2.gz DKCXOGMFPJCFPX-GFCCVEGCSA-N 1 0 225.307 3.223 10 0 BGAERO Cc1cc(Cl)ccc1[C@H]([NH3+])CCF ZINC000575438134 387114016 /nfs/dbraw/zinc/11/40/16/387114016.db2.gz DFRANCNEUUYREC-SNVBAGLBSA-N 1 0 201.672 3.008 10 0 BGAERO Cc1cc(Cl)ccc1[C@@H]([NH3+])CCF ZINC000575438135 387114333 /nfs/dbraw/zinc/11/43/33/387114333.db2.gz DFRANCNEUUYREC-JTQLQIEISA-N 1 0 201.672 3.008 10 0 BGAERO [NH3+][C@@H](CCF)c1c(F)cccc1C(F)(F)F ZINC000575438160 387103926 /nfs/dbraw/zinc/10/39/26/387103926.db2.gz DMVHTZSXBSYDDR-QMMMGPOBSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@H](CCF)c1c(F)cccc1C(F)(F)F ZINC000575438165 387105318 /nfs/dbraw/zinc/10/53/18/387105318.db2.gz DMVHTZSXBSYDDR-MRVPVSSYSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@H](CCF)c1cccc(C(F)(F)F)c1 ZINC000575438268 387117717 /nfs/dbraw/zinc/11/77/17/387117717.db2.gz GOIUZUHZNVAVBF-SECBINFHSA-N 1 0 221.197 3.065 10 0 BGAERO [NH3+][C@@H](CCF)c1cccc(C(F)(F)F)c1 ZINC000575438269 387116432 /nfs/dbraw/zinc/11/64/32/387116432.db2.gz GOIUZUHZNVAVBF-VIFPVBQESA-N 1 0 221.197 3.065 10 0 BGAERO [NH3+][C@H](CCF)c1ccc(F)cc1C(F)(F)F ZINC000575438465 387129277 /nfs/dbraw/zinc/12/92/77/387129277.db2.gz JJKBKPBPPVOOKC-SECBINFHSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@@H](CCF)c1ccc(F)cc1C(F)(F)F ZINC000575438470 387129026 /nfs/dbraw/zinc/12/90/26/387129026.db2.gz JJKBKPBPPVOOKC-VIFPVBQESA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@@H](CCF)c1ccc(Cl)cc1Cl ZINC000575438542 387131592 /nfs/dbraw/zinc/13/15/92/387131592.db2.gz LVOGAFVOPJVXMV-VIFPVBQESA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@H](CCF)c1ccc(Cl)cc1Cl ZINC000575438544 387131001 /nfs/dbraw/zinc/13/10/01/387131001.db2.gz LVOGAFVOPJVXMV-SECBINFHSA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@H](CCF)c1ccccc1C(F)(F)F ZINC000575438605 387131339 /nfs/dbraw/zinc/13/13/39/387131339.db2.gz LVQDMCZZRWYJJP-SECBINFHSA-N 1 0 221.197 3.065 10 0 BGAERO [NH3+][C@@H](CCF)c1ccccc1C(F)(F)F ZINC000575438613 387131434 /nfs/dbraw/zinc/13/14/34/387131434.db2.gz LVQDMCZZRWYJJP-VIFPVBQESA-N 1 0 221.197 3.065 10 0 BGAERO [NH3+][C@H](CCF)c1c(Cl)cccc1Cl ZINC000575438704 387133560 /nfs/dbraw/zinc/13/35/60/387133560.db2.gz ALIAAHBZWNJASP-MRVPVSSYSA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@@H](CCF)c1cc(F)ccc1C(F)(F)F ZINC000575438864 387120195 /nfs/dbraw/zinc/12/01/95/387120195.db2.gz NSLLITPLONGORS-VIFPVBQESA-N 1 0 239.187 3.204 10 0 BGAERO Cc1ccc(Br)cc1[C@H]([NH3+])CCF ZINC000575438901 387118567 /nfs/dbraw/zinc/11/85/67/387118567.db2.gz GGWQDUIQZVGXHQ-SNVBAGLBSA-N 1 0 246.123 3.117 10 0 BGAERO Cc1cccc(Cl)c1[C@@H]([NH3+])CCF ZINC000575438935 387121255 /nfs/dbraw/zinc/12/12/55/387121255.db2.gz OXFSNDDOFFVGCU-VIFPVBQESA-N 1 0 201.672 3.008 10 0 BGAERO [NH3+][C@H](CCF)c1cc(F)ccc1C(F)(F)F ZINC000575438962 387121434 /nfs/dbraw/zinc/12/14/34/387121434.db2.gz NSLLITPLONGORS-SECBINFHSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@@H](CCF)c1ccc(C(F)(F)F)c(F)c1 ZINC000575439004 387121928 /nfs/dbraw/zinc/12/19/28/387121928.db2.gz PGTDMHANAUMKKD-VIFPVBQESA-N 1 0 239.187 3.204 10 0 BGAERO Cc1cccc(Cl)c1[C@H]([NH3+])CCF ZINC000575439054 387121186 /nfs/dbraw/zinc/12/11/86/387121186.db2.gz OXFSNDDOFFVGCU-SECBINFHSA-N 1 0 201.672 3.008 10 0 BGAERO [NH3+][C@H](CCF)c1ccc(C(F)(F)F)c(F)c1 ZINC000575439066 387121474 /nfs/dbraw/zinc/12/14/74/387121474.db2.gz PGTDMHANAUMKKD-SECBINFHSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@H](CCF)c1ccc(C(F)(F)F)cc1 ZINC000575439074 387121362 /nfs/dbraw/zinc/12/13/62/387121362.db2.gz RUIGVQQMNWEQLQ-SECBINFHSA-N 1 0 221.197 3.065 10 0 BGAERO Cc1cc([C@H]([NH3+])CCF)ccc1Cl ZINC000575439230 387121745 /nfs/dbraw/zinc/12/17/45/387121745.db2.gz QQUYLJRSAIJBBY-SNVBAGLBSA-N 1 0 201.672 3.008 10 0 BGAERO Cc1cc([C@@H]([NH3+])CCF)ccc1Cl ZINC000575439278 388473461 /nfs/dbraw/zinc/47/34/61/388473461.db2.gz QQUYLJRSAIJBBY-JTQLQIEISA-N 1 0 201.672 3.008 10 0 BGAERO Cc1ccc(F)c([C@H]([NH3+])CCF)c1Cl ZINC000575439295 387120909 /nfs/dbraw/zinc/12/09/09/387120909.db2.gz RWCAGNOONCHKGQ-MRVPVSSYSA-N 1 0 219.662 3.147 10 0 BGAERO Cc1ccc(F)c([C@@H]([NH3+])CCF)c1Cl ZINC000575439298 387121632 /nfs/dbraw/zinc/12/16/32/387121632.db2.gz RWCAGNOONCHKGQ-QMMMGPOBSA-N 1 0 219.662 3.147 10 0 BGAERO [NH3+][C@@H](CCF)c1ccc(C(F)(F)F)cc1 ZINC000575439330 388626790 /nfs/dbraw/zinc/62/67/90/388626790.db2.gz RUIGVQQMNWEQLQ-VIFPVBQESA-N 1 0 221.197 3.065 10 0 BGAERO CCCCC[C@@H]([NH3+])c1ccc(O)c(C)c1 ZINC000575439368 387124335 /nfs/dbraw/zinc/12/43/35/387124335.db2.gz SWZKCWCZTQDDAZ-GFCCVEGCSA-N 1 0 207.317 3.281 10 0 BGAERO Cc1ccc([C@H]([NH3+])CCF)c(Br)c1 ZINC000575439416 387124502 /nfs/dbraw/zinc/12/45/02/387124502.db2.gz JPRXVWJVEFKWBW-SNVBAGLBSA-N 1 0 246.123 3.117 10 0 BGAERO Cc1ccc([C@H]([NH3+])CCF)cc1Br ZINC000575439429 387123977 /nfs/dbraw/zinc/12/39/77/387123977.db2.gz KNPONYBZVUESEJ-SNVBAGLBSA-N 1 0 246.123 3.117 10 0 BGAERO Cc1ccc([C@H]([NH3+])CCF)cc1Cl ZINC000575439463 387123314 /nfs/dbraw/zinc/12/33/14/387123314.db2.gz MTWMPJQWWWMJMY-SNVBAGLBSA-N 1 0 201.672 3.008 10 0 BGAERO Cc1ccc(Br)cc1[C@@H]([NH3+])CCF ZINC000575439544 387124211 /nfs/dbraw/zinc/12/42/11/387124211.db2.gz GGWQDUIQZVGXHQ-JTQLQIEISA-N 1 0 246.123 3.117 10 0 BGAERO [NH3+][C@@H](CCF)c1cc(F)cc(C(F)(F)F)c1 ZINC000575439609 387123782 /nfs/dbraw/zinc/12/37/82/387123782.db2.gz VIUOBULMGMRKQA-VIFPVBQESA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@@H](CCF)c1cccc(F)c1C(F)(F)F ZINC000575439611 387124666 /nfs/dbraw/zinc/12/46/66/387124666.db2.gz VKCPYEGVOVVSCP-QMMMGPOBSA-N 1 0 239.187 3.204 10 0 BGAERO CCCCC[C@H]([NH3+])c1ccc(O)c(C)c1 ZINC000575439644 388628874 /nfs/dbraw/zinc/62/88/74/388628874.db2.gz SWZKCWCZTQDDAZ-LBPRGKRZSA-N 1 0 207.317 3.281 10 0 BGAERO [NH3+][C@@H](CCF)c1ccc(C(F)(F)F)cc1F ZINC000575439661 387125373 /nfs/dbraw/zinc/12/53/73/387125373.db2.gz WYFOCHHKNVRMOG-VIFPVBQESA-N 1 0 239.187 3.204 10 0 BGAERO COc1ccc(F)c([C@H]([NH3+])CC(C)C)c1F ZINC000575439711 387125991 /nfs/dbraw/zinc/12/59/91/387125991.db2.gz VJGOUDIGFBCGGN-SECBINFHSA-N 1 0 229.270 3.019 10 0 BGAERO COc1ccc(F)c([C@@H]([NH3+])CC(C)C)c1F ZINC000575439726 387125262 /nfs/dbraw/zinc/12/52/62/387125262.db2.gz VJGOUDIGFBCGGN-VIFPVBQESA-N 1 0 229.270 3.019 10 0 BGAERO [NH3+][C@H](CCF)c1cc(F)cc(C(F)(F)F)c1 ZINC000575439732 388630226 /nfs/dbraw/zinc/63/02/26/388630226.db2.gz VIUOBULMGMRKQA-SECBINFHSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@H](CCF)c1cccc(F)c1C(F)(F)F ZINC000575439737 387126392 /nfs/dbraw/zinc/12/63/92/387126392.db2.gz VKCPYEGVOVVSCP-MRVPVSSYSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@@H](CCF)c1cccc(C(F)(F)F)c1F ZINC000575439851 387126076 /nfs/dbraw/zinc/12/60/76/387126076.db2.gz YUQDTZUEBDHSHH-QMMMGPOBSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@H](CCF)c1cccc(C(F)(F)F)c1F ZINC000575439852 387126542 /nfs/dbraw/zinc/12/65/42/387126542.db2.gz YUQDTZUEBDHSHH-MRVPVSSYSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@@H](CCF)c1c(F)ccc(Cl)c1Cl ZINC000575439855 387125704 /nfs/dbraw/zinc/12/57/04/387125704.db2.gz WIJLHDOHHLSILF-ZETCQYMHSA-N 1 0 240.080 3.492 10 0 BGAERO [NH3+][C@H](CCF)c1c(F)ccc(Cl)c1Cl ZINC000575439856 387125955 /nfs/dbraw/zinc/12/59/55/387125955.db2.gz WIJLHDOHHLSILF-SSDOTTSWSA-N 1 0 240.080 3.492 10 0 BGAERO Cc1ccc(Cl)c([C@H]([NH3+])CCF)c1F ZINC000575439871 387125763 /nfs/dbraw/zinc/12/57/63/387125763.db2.gz ZATZQUIKTYDGCI-MRVPVSSYSA-N 1 0 219.662 3.147 10 0 BGAERO CCOc1c(F)cc([C@H]([NH3+])CCF)cc1Cl ZINC000575439876 387125163 /nfs/dbraw/zinc/12/51/63/387125163.db2.gz XAZJBLNKUJQEMZ-SNVBAGLBSA-N 1 0 249.688 3.237 10 0 BGAERO CCOc1c(F)cc([C@@H]([NH3+])CCF)cc1Cl ZINC000575439878 387125205 /nfs/dbraw/zinc/12/52/05/387125205.db2.gz XAZJBLNKUJQEMZ-JTQLQIEISA-N 1 0 249.688 3.237 10 0 BGAERO CCSc1ccc([C@H]([NH3+])CCF)cc1 ZINC000575439879 387125644 /nfs/dbraw/zinc/12/56/44/387125644.db2.gz XCRVXNCCARRLGO-LLVKDONJSA-N 1 0 213.321 3.158 10 0 BGAERO CCSc1ccc([C@@H]([NH3+])CCF)cc1 ZINC000575439880 387126104 /nfs/dbraw/zinc/12/61/04/387126104.db2.gz XCRVXNCCARRLGO-NSHDSACASA-N 1 0 213.321 3.158 10 0 BGAERO [NH3+][C@H](CCF)c1cc(Cl)ccc1Cl ZINC000575439911 387126058 /nfs/dbraw/zinc/12/60/58/387126058.db2.gz NYFJYEUQYXGCBO-SECBINFHSA-N 1 0 222.090 3.353 10 0 BGAERO Cc1ccc(Cl)c([C@@H]([NH3+])CCF)c1F ZINC000575439949 388628769 /nfs/dbraw/zinc/62/87/69/388628769.db2.gz ZATZQUIKTYDGCI-QMMMGPOBSA-N 1 0 219.662 3.147 10 0 BGAERO [NH3+][C@H](CCF)c1ccc2ccccc2c1 ZINC000575440087 387127661 /nfs/dbraw/zinc/12/76/61/387127661.db2.gz UIEDTQNAQZGJMW-CYBMUJFWSA-N 1 0 203.260 3.199 10 0 BGAERO [NH3+][C@H](CCF)c1cccc(Cl)c1Cl ZINC000575440099 387128101 /nfs/dbraw/zinc/12/81/01/387128101.db2.gz UPZQREASAZRJHA-MRVPVSSYSA-N 1 0 222.090 3.353 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CCF)c(Br)c1 ZINC000575440136 387127312 /nfs/dbraw/zinc/12/73/12/387127312.db2.gz JPRXVWJVEFKWBW-JTQLQIEISA-N 1 0 246.123 3.117 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CCF)cc1Br ZINC000575440149 387127773 /nfs/dbraw/zinc/12/77/73/387127773.db2.gz KNPONYBZVUESEJ-JTQLQIEISA-N 1 0 246.123 3.117 10 0 BGAERO Cc1ccc([C@@H]([NH3+])CCF)cc1Cl ZINC000575440183 387128139 /nfs/dbraw/zinc/12/81/39/387128139.db2.gz MTWMPJQWWWMJMY-JTQLQIEISA-N 1 0 201.672 3.008 10 0 BGAERO CC(C)(C)c1ccc([C@H]([NH3+])CCF)cc1 ZINC000575440239 387127154 /nfs/dbraw/zinc/12/71/54/387127154.db2.gz WUUQXACCEOWWJO-GFCCVEGCSA-N 1 0 209.308 3.344 10 0 BGAERO [NH3+][C@H](CCF)c1cc(Cl)cc(Cl)c1 ZINC000575440257 387128241 /nfs/dbraw/zinc/12/82/41/387128241.db2.gz XMRUAKWYAJUIHC-SECBINFHSA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@H](CCF)c1ccc(Cl)c(Cl)c1 ZINC000575440264 387128030 /nfs/dbraw/zinc/12/80/30/387128030.db2.gz XXNCTYZSSDJVPQ-SECBINFHSA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@H](CCF)c1ccc(F)c(C(F)(F)F)c1 ZINC000575440268 387127317 /nfs/dbraw/zinc/12/73/17/387127317.db2.gz YFLYLXPBNAUDTM-SECBINFHSA-N 1 0 239.187 3.204 10 0 BGAERO [NH3+][C@@H](CCF)c1cc(Cl)ccc1Cl ZINC000575440325 387122031 /nfs/dbraw/zinc/12/20/31/387122031.db2.gz NYFJYEUQYXGCBO-VIFPVBQESA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@@H](CCF)c1ccc2ccccc2c1 ZINC000575440418 388631031 /nfs/dbraw/zinc/63/10/31/388631031.db2.gz UIEDTQNAQZGJMW-ZDUSSCGKSA-N 1 0 203.260 3.199 10 0 BGAERO [NH3+][C@@H](CCF)c1cccc(Cl)c1Cl ZINC000575440423 387132646 /nfs/dbraw/zinc/13/26/46/387132646.db2.gz UPZQREASAZRJHA-QMMMGPOBSA-N 1 0 222.090 3.353 10 0 BGAERO CC(C)(C)c1ccc([C@@H]([NH3+])CCF)cc1 ZINC000575440465 388631340 /nfs/dbraw/zinc/63/13/40/388631340.db2.gz WUUQXACCEOWWJO-LBPRGKRZSA-N 1 0 209.308 3.344 10 0 BGAERO [NH3+][C@@H](CCF)c1cc(Cl)cc(Cl)c1 ZINC000575440476 388631604 /nfs/dbraw/zinc/63/16/04/388631604.db2.gz XMRUAKWYAJUIHC-VIFPVBQESA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@@H](CCF)c1ccc(Cl)c(Cl)c1 ZINC000575440483 387134476 /nfs/dbraw/zinc/13/44/76/387134476.db2.gz XXNCTYZSSDJVPQ-VIFPVBQESA-N 1 0 222.090 3.353 10 0 BGAERO [NH3+][C@@H](CCF)c1ccc(F)c(C(F)(F)F)c1 ZINC000575440486 387135546 /nfs/dbraw/zinc/13/55/46/387135546.db2.gz YFLYLXPBNAUDTM-VIFPVBQESA-N 1 0 239.187 3.204 10 0 BGAERO CCO[C@@]([NH3+])(Cc1ccccc1)c1ccccc1 ZINC000575448678 386724342 /nfs/dbraw/zinc/72/43/42/386724342.db2.gz RRQPKVLJPWCWEB-INIZCTEOSA-N 1 0 241.334 3.077 10 0 BGAERO CCO[C@]([NH3+])(Cc1ccccc1)c1ccccc1 ZINC000575448679 386722922 /nfs/dbraw/zinc/72/29/22/386722922.db2.gz RRQPKVLJPWCWEB-MRXNPFEDSA-N 1 0 241.334 3.077 10 0 BGAERO CC1CC([C@@H]([NH3+])c2ccc(Br)o2)C1 ZINC000575453092 386817387 /nfs/dbraw/zinc/81/73/87/386817387.db2.gz MOMMQVZRDQUOIY-HNQUHTCLSA-N 1 0 244.132 3.088 10 0 BGAERO CC1CC([C@H]([NH3+])c2ccc(Br)o2)C1 ZINC000575453093 386817378 /nfs/dbraw/zinc/81/73/78/386817378.db2.gz MOMMQVZRDQUOIY-QIMWKCOFSA-N 1 0 244.132 3.088 10 0 BGAERO [NH3+][C@H](c1ccsc1Cl)[C@H]1CC12CC2 ZINC000575454677 388765554 /nfs/dbraw/zinc/76/55/54/388765554.db2.gz UXCJKGGIIPRLDV-HTQZYQBOSA-N 1 0 213.733 3.201 10 0 BGAERO [NH3+]Cc1sccc1-c1sccc1F ZINC000575455523 387027150 /nfs/dbraw/zinc/02/71/50/387027150.db2.gz JKNBQVZWJIZUHR-UHFFFAOYSA-N 1 0 213.302 3.074 10 0 BGAERO [NH3+]Cc1c(Cl)scc1C1(Cl)CC1 ZINC000575455996 387027819 /nfs/dbraw/zinc/02/78/19/387027819.db2.gz JQIKMYCNOAVRBS-UHFFFAOYSA-N 1 0 222.140 3.088 10 0 BGAERO [NH3+]Cc1sccc1-c1ccoc1Cl ZINC000575456722 387029594 /nfs/dbraw/zinc/02/95/94/387029594.db2.gz FCNWERINYKPSFV-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO [NH3+][C@H](c1cc2cscc2s1)C1CC1 ZINC000575459627 387036378 /nfs/dbraw/zinc/03/63/78/387036378.db2.gz RULGBVRGPRVIRT-JTQLQIEISA-N 1 0 209.339 3.373 10 0 BGAERO [NH3+][C@@H](c1cc2cscc2s1)C1CC1 ZINC000575459628 387036641 /nfs/dbraw/zinc/03/66/41/387036641.db2.gz RULGBVRGPRVIRT-SNVBAGLBSA-N 1 0 209.339 3.373 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000575460488 397944009 /nfs/dbraw/zinc/94/40/09/397944009.db2.gz BOZLLZGHOPETDD-PBKGFPTLSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(F)c(Br)c1 ZINC000575460489 397944071 /nfs/dbraw/zinc/94/40/71/397944071.db2.gz BOZLLZGHOPETDD-VMZHVLLKSA-N 1 0 244.107 3.164 10 0 BGAERO [NH3+]C[C@H]1C[C@H]1c1cc2cscc2s1 ZINC000575462865 387042366 /nfs/dbraw/zinc/04/23/66/387042366.db2.gz WARMJLMYBIQBEL-HTRCEHHLSA-N 1 0 209.339 3.025 10 0 BGAERO [NH3+]C[C@@H]1C[C@H]1c1cc2cscc2s1 ZINC000575462910 387042536 /nfs/dbraw/zinc/04/25/36/387042536.db2.gz WARMJLMYBIQBEL-POYBYMJQSA-N 1 0 209.339 3.025 10 0 BGAERO [NH3+]C[C@H]1C[C@@H]1c1cc2cscc2s1 ZINC000575462911 387042102 /nfs/dbraw/zinc/04/21/02/387042102.db2.gz WARMJLMYBIQBEL-SVRRBLITSA-N 1 0 209.339 3.025 10 0 BGAERO [NH3+]C[C@@H]1C[C@@H]1c1cc2cscc2s1 ZINC000575462912 387042015 /nfs/dbraw/zinc/04/20/15/387042015.db2.gz WARMJLMYBIQBEL-XPUUQOCRSA-N 1 0 209.339 3.025 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(F)cc1Br ZINC000575463340 387043477 /nfs/dbraw/zinc/04/34/77/387043477.db2.gz JXSAIDFRWKVNLR-PBKGFPTLSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(F)cc1Br ZINC000575463341 388830962 /nfs/dbraw/zinc/83/09/62/388830962.db2.gz JXSAIDFRWKVNLR-VMZHVLLKSA-N 1 0 244.107 3.164 10 0 BGAERO CC1(C)C[C@@H]([NH3+])C[C@H](OCc2ccccc2)C1 ZINC000575465521 387059859 /nfs/dbraw/zinc/05/98/59/387059859.db2.gz IZKQTNPRYHCIFM-KBPBESRZSA-N 1 0 233.355 3.109 10 0 BGAERO CC1(C)C[C@@H](OCc2ccccc2)C[C@@H]([NH3+])C1 ZINC000575465539 388836106 /nfs/dbraw/zinc/83/61/06/388836106.db2.gz IZKQTNPRYHCIFM-KGLIPLIRSA-N 1 0 233.355 3.109 10 0 BGAERO CC1(C)C[C@@H]([NH3+])C[C@@H](OCc2ccccc2)C1 ZINC000575465542 387060159 /nfs/dbraw/zinc/06/01/59/387060159.db2.gz IZKQTNPRYHCIFM-UONOGXRCSA-N 1 0 233.355 3.109 10 0 BGAERO CC1(C)C[C@H]([NH3+])C[C@@H](OCc2ccccc2)C1 ZINC000575465566 387061201 /nfs/dbraw/zinc/06/12/01/387061201.db2.gz IZKQTNPRYHCIFM-ZIAGYGMSSA-N 1 0 233.355 3.109 10 0 BGAERO c1scc2sc([C@H]3[NH2+]CCS3)cc12 ZINC000575465918 388836180 /nfs/dbraw/zinc/83/61/80/388836180.db2.gz HJSVDTYCPVGPJG-VIFPVBQESA-N 1 0 227.379 3.298 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000575466115 388835698 /nfs/dbraw/zinc/83/56/98/388835698.db2.gz ORZYENNJNSHVIJ-PBKGFPTLSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(Br)c(F)c1 ZINC000575466116 387063877 /nfs/dbraw/zinc/06/38/77/387063877.db2.gz ORZYENNJNSHVIJ-VMZHVLLKSA-N 1 0 244.107 3.164 10 0 BGAERO C[C@H]1SCC[C@]1([NH3+])c1ccc(Cl)s1 ZINC000575466158 387064660 /nfs/dbraw/zinc/06/46/60/387064660.db2.gz BKJVWKDAKLUDRK-HZGVNTEJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1SCC[C@]1([NH3+])c1ccc(Cl)s1 ZINC000575466159 388836550 /nfs/dbraw/zinc/83/65/50/388836550.db2.gz BKJVWKDAKLUDRK-IMTBSYHQSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1SCC[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000575466160 388835801 /nfs/dbraw/zinc/83/58/01/388835801.db2.gz BKJVWKDAKLUDRK-MUWHJKNJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1SCC[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000575466162 388835754 /nfs/dbraw/zinc/83/57/54/388835754.db2.gz BKJVWKDAKLUDRK-RCOVLWMOSA-N 1 0 233.789 3.081 10 0 BGAERO [NH3+]Cc1sccc1-c1ccc(Cl)o1 ZINC000575467108 397989502 /nfs/dbraw/zinc/98/95/02/397989502.db2.gz XDABVMYXJCKAQJ-UHFFFAOYSA-N 1 0 213.689 3.120 10 0 BGAERO CC1CC([NH3+])(Cc2csc(Cl)c2)C1 ZINC000575468521 387074056 /nfs/dbraw/zinc/07/40/56/387074056.db2.gz AXTKTWVVSZUFEM-UHFFFAOYSA-N 1 0 215.749 3.071 10 0 BGAERO CC(=[NH2+])NCc1cc2cscc2s1 ZINC000575472318 387101739 /nfs/dbraw/zinc/10/17/39/387101739.db2.gz QESJQNVYHCUNMG-UHFFFAOYSA-N 1 0 210.327 3.050 10 0 BGAERO C[C@]([NH3+])(c1cscc1Br)C1CC1 ZINC000575475383 388852431 /nfs/dbraw/zinc/85/24/31/388852431.db2.gz CCYQIUNYFWEPMF-SECBINFHSA-N 1 0 246.173 3.095 10 0 BGAERO C[C@@]([NH3+])(c1cscc1Br)C1CC1 ZINC000575475384 387165256 /nfs/dbraw/zinc/16/52/56/387165256.db2.gz CCYQIUNYFWEPMF-VIFPVBQESA-N 1 0 246.173 3.095 10 0 BGAERO [NH3+]C1CCC(c2sccc2Cl)CC1 ZINC000575475538 387163917 /nfs/dbraw/zinc/16/39/17/387163917.db2.gz YKSAXCHDQFYVSS-UHFFFAOYSA-N 1 0 215.749 3.386 10 0 BGAERO [NH3+][C@@H](c1ccc(Cl)s1)[C@H]1CC12CC2 ZINC000575481147 387172425 /nfs/dbraw/zinc/17/24/25/387172425.db2.gz CMHPREDQEITZLU-HZGVNTEJSA-N 1 0 213.733 3.201 10 0 BGAERO [NH3+][C@@H](c1ccc(Cl)s1)[C@@H]1CC12CC2 ZINC000575481162 387174049 /nfs/dbraw/zinc/17/40/49/387174049.db2.gz CMHPREDQEITZLU-IMTBSYHQSA-N 1 0 213.733 3.201 10 0 BGAERO [NH3+][C@H](c1ccc(Cl)s1)[C@H]1CC12CC2 ZINC000575481163 387174409 /nfs/dbraw/zinc/17/44/09/387174409.db2.gz CMHPREDQEITZLU-MUWHJKNJSA-N 1 0 213.733 3.201 10 0 BGAERO [NH3+][C@H](c1ccc(Cl)s1)[C@@H]1CC12CC2 ZINC000575481165 387172987 /nfs/dbraw/zinc/17/29/87/387172987.db2.gz CMHPREDQEITZLU-RCOVLWMOSA-N 1 0 213.733 3.201 10 0 BGAERO [NH3+][C@@H](c1sccc1Cl)[C@H]1CC12CC2 ZINC000575485087 387254080 /nfs/dbraw/zinc/25/40/80/387254080.db2.gz YRNDPJNBGVUAJZ-HTRCEHHLSA-N 1 0 213.733 3.201 10 0 BGAERO [NH3+][C@@H](c1sccc1Cl)[C@@H]1CC12CC2 ZINC000575485088 388868107 /nfs/dbraw/zinc/86/81/07/388868107.db2.gz YRNDPJNBGVUAJZ-POYBYMJQSA-N 1 0 213.733 3.201 10 0 BGAERO [NH3+][C@H](c1sccc1Cl)[C@H]1CC12CC2 ZINC000575485089 387253938 /nfs/dbraw/zinc/25/39/38/387253938.db2.gz YRNDPJNBGVUAJZ-SVRRBLITSA-N 1 0 213.733 3.201 10 0 BGAERO [NH3+][C@H](c1sccc1Cl)[C@@H]1CC12CC2 ZINC000575485090 387254513 /nfs/dbraw/zinc/25/45/13/387254513.db2.gz YRNDPJNBGVUAJZ-XPUUQOCRSA-N 1 0 213.733 3.201 10 0 BGAERO CC1CC([C@@H]([NH3+])c2ccc(Cl)s2)C1 ZINC000575486404 387253760 /nfs/dbraw/zinc/25/37/60/387253760.db2.gz JCLYRHOFADNTKD-HNQUHTCLSA-N 1 0 215.749 3.447 10 0 BGAERO CC1CC([C@H]([NH3+])c2ccc(Cl)s2)C1 ZINC000575486408 388871509 /nfs/dbraw/zinc/87/15/09/388871509.db2.gz JCLYRHOFADNTKD-QIMWKCOFSA-N 1 0 215.749 3.447 10 0 BGAERO CC1CC([C@H]([NH3+])c2sccc2Cl)C1 ZINC000575487138 388874480 /nfs/dbraw/zinc/87/44/80/388874480.db2.gz PQTQGAUPRSJWPK-IEIXJENWSA-N 1 0 215.749 3.447 10 0 BGAERO CC1CC([C@@H]([NH3+])c2sccc2Cl)C1 ZINC000575487140 387257414 /nfs/dbraw/zinc/25/74/14/387257414.db2.gz PQTQGAUPRSJWPK-QXUHLLMWSA-N 1 0 215.749 3.447 10 0 BGAERO CC1CC([C@H]([NH3+])c2ccsc2Cl)C1 ZINC000575487520 388877894 /nfs/dbraw/zinc/87/78/94/388877894.db2.gz UCUPHHOSNNISGB-IEIXJENWSA-N 1 0 215.749 3.447 10 0 BGAERO CC1CC([C@@H]([NH3+])c2ccsc2Cl)C1 ZINC000575487521 388877491 /nfs/dbraw/zinc/87/74/91/388877491.db2.gz UCUPHHOSNNISGB-QXUHLLMWSA-N 1 0 215.749 3.447 10 0 BGAERO CC1CC([C@H]([NH3+])c2occc2Br)C1 ZINC000575488067 388877590 /nfs/dbraw/zinc/87/75/90/388877590.db2.gz ZASFJYTUPKLYJF-IEIXJENWSA-N 1 0 244.132 3.088 10 0 BGAERO CC1CC([C@@H]([NH3+])c2occc2Br)C1 ZINC000575488068 387256271 /nfs/dbraw/zinc/25/62/71/387256271.db2.gz ZASFJYTUPKLYJF-QXUHLLMWSA-N 1 0 244.132 3.088 10 0 BGAERO [NH3+]C1(CC=C(Cl)Cl)CC2(CCC2)C1 ZINC000575490462 388911725 /nfs/dbraw/zinc/91/17/25/388911725.db2.gz FPSCDHQHZKBBSV-UHFFFAOYSA-N 1 0 220.143 3.357 10 0 BGAERO CC1CC([NH3+])(Cc2ccsc2Cl)C1 ZINC000575490479 387266460 /nfs/dbraw/zinc/26/64/60/387266460.db2.gz FXYZLXDZRADGSF-UHFFFAOYSA-N 1 0 215.749 3.071 10 0 BGAERO CC1CC([NH3+])(Cc2ccc(Cl)s2)C1 ZINC000575490758 388915750 /nfs/dbraw/zinc/91/57/50/388915750.db2.gz LLKGHTPBMLNGTJ-UHFFFAOYSA-N 1 0 215.749 3.071 10 0 BGAERO CC1CC([NH3+])(Cc2sccc2Cl)C1 ZINC000575491371 387277135 /nfs/dbraw/zinc/27/71/35/387277135.db2.gz UYFYABQRHVPUBR-UHFFFAOYSA-N 1 0 215.749 3.071 10 0 BGAERO CC[C@@H]([NH2+]C)c1ccsc1Br ZINC000575491769 388934687 /nfs/dbraw/zinc/93/46/87/388934687.db2.gz JURYOMPVIWMBEK-SSDOTTSWSA-N 1 0 234.162 3.181 10 0 BGAERO CC[C@H]([NH2+]C)c1ccsc1Br ZINC000575491770 388934759 /nfs/dbraw/zinc/93/47/59/388934759.db2.gz JURYOMPVIWMBEK-ZETCQYMHSA-N 1 0 234.162 3.181 10 0 BGAERO CC1([C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000575493107 388945010 /nfs/dbraw/zinc/94/50/10/388945010.db2.gz MXGXIJXLNPEPIH-JTQLQIEISA-N 1 0 240.144 3.249 10 0 BGAERO CC1([C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000575493108 387271898 /nfs/dbraw/zinc/27/18/98/387271898.db2.gz MXGXIJXLNPEPIH-SNVBAGLBSA-N 1 0 240.144 3.249 10 0 BGAERO C[C@@H]1C[C@H]1[C@H]([NH3+])c1cccc(Br)c1 ZINC000575494174 388951615 /nfs/dbraw/zinc/95/16/15/388951615.db2.gz WHJAAKJMSYNOLO-AVPPRXQKSA-N 1 0 240.144 3.105 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@H]([NH3+])c1cccc(Br)c1 ZINC000575494177 388951321 /nfs/dbraw/zinc/95/13/21/388951321.db2.gz WHJAAKJMSYNOLO-GGVZMXCHSA-N 1 0 240.144 3.105 10 0 BGAERO C[C@@H]1C[C@H]1[C@@H]([NH3+])c1cccc(Br)c1 ZINC000575494180 387285840 /nfs/dbraw/zinc/28/58/40/387285840.db2.gz WHJAAKJMSYNOLO-ONOSFVFSSA-N 1 0 240.144 3.105 10 0 BGAERO C[C@@H]1C[C@@H]1[C@H]([NH3+])c1cccc(Br)c1 ZINC000575494182 388950919 /nfs/dbraw/zinc/95/09/19/388950919.db2.gz WHJAAKJMSYNOLO-PPKCKEKNSA-N 1 0 240.144 3.105 10 0 BGAERO C[C@H](C[NH3+])c1cc(Cl)cc(Cl)c1F ZINC000575494589 387315556 /nfs/dbraw/zinc/31/55/56/387315556.db2.gz NOWZHTTWAPQGHQ-RXMQYKEDSA-N 1 0 222.090 3.195 10 0 BGAERO C[C@@H](C[NH3+])c1cc(Cl)cc(Cl)c1F ZINC000575494590 388956151 /nfs/dbraw/zinc/95/61/51/388956151.db2.gz NOWZHTTWAPQGHQ-YFKPBYRVSA-N 1 0 222.090 3.195 10 0 BGAERO CC[C@@H]([NH3+])c1cc(Cl)cc(F)c1F ZINC000575496088 388962179 /nfs/dbraw/zinc/96/21/79/388962179.db2.gz ISRDHQIQZOCOSH-MRVPVSSYSA-N 1 0 205.635 3.028 10 0 BGAERO CC[C@H]([NH3+])c1cc(Cl)cc(F)c1F ZINC000575496091 387323996 /nfs/dbraw/zinc/32/39/96/387323996.db2.gz ISRDHQIQZOCOSH-QMMMGPOBSA-N 1 0 205.635 3.028 10 0 BGAERO [NH3+]Cc1sccc1[C@H]1CCCCS1 ZINC000575497871 387325983 /nfs/dbraw/zinc/32/59/83/387325983.db2.gz NPGGYCUHQMSPRB-SECBINFHSA-N 1 0 213.371 3.165 10 0 BGAERO [NH3+]Cc1sccc1[C@@H]1CCCCS1 ZINC000575497872 387326076 /nfs/dbraw/zinc/32/60/76/387326076.db2.gz NPGGYCUHQMSPRB-VIFPVBQESA-N 1 0 213.371 3.165 10 0 BGAERO Cc1cscc1-c1ccsc1C[NH3+] ZINC000575497927 387327101 /nfs/dbraw/zinc/32/71/01/387327101.db2.gz OVQILUPWWLBRKP-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO CCC[C@@H]([NH3+])c1ccsc1Br ZINC000575498427 387339893 /nfs/dbraw/zinc/33/98/93/387339893.db2.gz DRBRZFKAZMPYLI-SSDOTTSWSA-N 1 0 234.162 3.311 10 0 BGAERO CCC[C@H]([NH3+])c1ccsc1Br ZINC000575498428 387340226 /nfs/dbraw/zinc/34/02/26/387340226.db2.gz DRBRZFKAZMPYLI-ZETCQYMHSA-N 1 0 234.162 3.311 10 0 BGAERO [NH3+][C@@H](c1ccsc1Br)C1CCC1 ZINC000575498499 388989664 /nfs/dbraw/zinc/98/96/64/388989664.db2.gz GYYJRZFEXNYVAU-MRVPVSSYSA-N 1 0 246.173 3.311 10 0 BGAERO [NH3+][C@H](c1ccsc1Br)C1CCC1 ZINC000575498501 388989628 /nfs/dbraw/zinc/98/96/28/388989628.db2.gz GYYJRZFEXNYVAU-QMMMGPOBSA-N 1 0 246.173 3.311 10 0 BGAERO CC(C)=C[C@@H]([NH3+])c1ccsc1Br ZINC000575498565 387342633 /nfs/dbraw/zinc/34/26/33/387342633.db2.gz KAMIMHWFKIZMMC-MRVPVSSYSA-N 1 0 246.173 3.477 10 0 BGAERO CC(C)=C[C@H]([NH3+])c1ccsc1Br ZINC000575498566 388989449 /nfs/dbraw/zinc/98/94/49/388989449.db2.gz KAMIMHWFKIZMMC-QMMMGPOBSA-N 1 0 246.173 3.477 10 0 BGAERO Cc1csc(-c2ccsc2C[NH3+])c1 ZINC000575501428 387351736 /nfs/dbraw/zinc/35/17/36/387351736.db2.gz LHWUHGWVJAKSHL-UHFFFAOYSA-N 1 0 209.339 3.244 10 0 BGAERO C/C(=C/c1cc2cscc2s1)C[NH3+] ZINC000575505242 387373750 /nfs/dbraw/zinc/37/37/50/387373750.db2.gz ONKYTESYHKNREX-UQCOIBPSSA-N 1 0 209.339 3.325 10 0 BGAERO C[C@H]([NH3+])/C=C/c1cc2cscc2s1 ZINC000575505293 387372248 /nfs/dbraw/zinc/37/22/48/387372248.db2.gz RINHLXLOLJPNIA-AIYRYJHASA-N 1 0 209.339 3.323 10 0 BGAERO C[C@@H]([NH3+])/C=C/c1cc2cscc2s1 ZINC000575505299 387373139 /nfs/dbraw/zinc/37/31/39/387373139.db2.gz RINHLXLOLJPNIA-TYWZFMJISA-N 1 0 209.339 3.323 10 0 BGAERO C[NH2+][C@H](C)c1ccc(Br)c(F)c1C ZINC000575506334 387373459 /nfs/dbraw/zinc/37/34/59/387373459.db2.gz FWRSGBOBCKZHJC-SSDOTTSWSA-N 1 0 246.123 3.177 10 0 BGAERO C[NH2+][C@@H](C)c1ccc(Br)c(F)c1C ZINC000575506335 387372192 /nfs/dbraw/zinc/37/21/92/387372192.db2.gz FWRSGBOBCKZHJC-ZETCQYMHSA-N 1 0 246.123 3.177 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(Br)c(F)c1C ZINC000575506726 387372318 /nfs/dbraw/zinc/37/23/18/387372318.db2.gz HSRGUDZCJPDLBW-SECBINFHSA-N 1 0 246.123 3.306 10 0 BGAERO CC[C@H]([NH3+])c1ccc(Br)c(F)c1C ZINC000575506727 388991717 /nfs/dbraw/zinc/99/17/17/388991717.db2.gz HSRGUDZCJPDLBW-VIFPVBQESA-N 1 0 246.123 3.306 10 0 BGAERO [NH3+][C@@H](c1occc1Br)C1=CCCC1 ZINC000575507281 411297364 /nfs/dbraw/zinc/29/73/64/411297364.db2.gz LNHWJDSXDWQWIA-SECBINFHSA-N 1 0 242.116 3.152 10 0 BGAERO [NH3+][C@H](c1occc1Br)C1=CCCC1 ZINC000575507282 387374700 /nfs/dbraw/zinc/37/47/00/387374700.db2.gz LNHWJDSXDWQWIA-VIFPVBQESA-N 1 0 242.116 3.152 10 0 BGAERO CC(=[NH2+])NCc1ccc(Cl)c(Cl)c1 ZINC000575523285 387445578 /nfs/dbraw/zinc/44/55/78/387445578.db2.gz ISHQEGRMOXYKLA-UHFFFAOYSA-N 1 0 217.099 3.080 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1Cc1ccsc1Cl ZINC000575523664 387457728 /nfs/dbraw/zinc/45/77/28/387457728.db2.gz MQMIAVNLYKOESF-APPZFPTMSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1Cc1ccsc1Cl ZINC000575523665 387458008 /nfs/dbraw/zinc/45/80/08/387458008.db2.gz MQMIAVNLYKOESF-CBAPKCEASA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1Cc1ccsc1Cl ZINC000575523667 387457209 /nfs/dbraw/zinc/45/72/09/387457209.db2.gz MQMIAVNLYKOESF-IONNQARKSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1Cc1ccsc1Cl ZINC000575523668 387457671 /nfs/dbraw/zinc/45/76/71/387457671.db2.gz MQMIAVNLYKOESF-VXNVDRBHSA-N 1 0 215.749 3.071 10 0 BGAERO Clc1sccc1C[C@H]1CCCC[NH2+]1 ZINC000575523727 388359053 /nfs/dbraw/zinc/35/90/53/388359053.db2.gz NJWRGXSSSDBMBV-SECBINFHSA-N 1 0 215.749 3.086 10 0 BGAERO Clc1sccc1C[C@@H]1CCCC[NH2+]1 ZINC000575523732 388358869 /nfs/dbraw/zinc/35/88/69/388358869.db2.gz NJWRGXSSSDBMBV-VIFPVBQESA-N 1 0 215.749 3.086 10 0 BGAERO CC1(C)CCC([NH3+])(C/C=C/Cl)CC1 ZINC000575524012 387458860 /nfs/dbraw/zinc/45/88/60/387458860.db2.gz PFTLVJLMIUMMTA-YCRREMRBSA-N 1 0 201.741 3.427 10 0 BGAERO [NH3+]C1(Cc2ccsc2Cl)CCCC1 ZINC000575524377 387459552 /nfs/dbraw/zinc/45/95/52/387459552.db2.gz TWGTXRFLJAZHPH-UHFFFAOYSA-N 1 0 215.749 3.216 10 0 BGAERO [NH3+][C@H]1CC[C@H](Cc2ccsc2Cl)C1 ZINC000575524776 387526935 /nfs/dbraw/zinc/52/69/35/387526935.db2.gz VJPIDBZVCIBXRC-APPZFPTMSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CC[C@@H](Cc2ccsc2Cl)C1 ZINC000575524779 387527471 /nfs/dbraw/zinc/52/74/71/387527471.db2.gz VJPIDBZVCIBXRC-CBAPKCEASA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](Cc2ccsc2Cl)C1 ZINC000575524782 387527489 /nfs/dbraw/zinc/52/74/89/387527489.db2.gz VJPIDBZVCIBXRC-IONNQARKSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@@H]1CC[C@H](Cc2ccsc2Cl)C1 ZINC000575524785 388358726 /nfs/dbraw/zinc/35/87/26/388358726.db2.gz VJPIDBZVCIBXRC-VXNVDRBHSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@H]1CC/C(=C/c2ccsc2Cl)C1 ZINC000575525483 388360078 /nfs/dbraw/zinc/36/00/78/388360078.db2.gz GVLCOMDYODXBLG-PGBBXKAQSA-N 1 0 213.733 3.296 10 0 BGAERO [NH3+][C@@H]1CC/C(=C/c2ccsc2Cl)C1 ZINC000575525484 387524659 /nfs/dbraw/zinc/52/46/59/387524659.db2.gz GVLCOMDYODXBLG-WILPJHFFSA-N 1 0 213.733 3.296 10 0 BGAERO CC(=[NH2+])NCc1cccc(Cl)c1Cl ZINC000575526087 387537286 /nfs/dbraw/zinc/53/72/86/387537286.db2.gz OJDNUIPXJPJXKO-UHFFFAOYSA-N 1 0 217.099 3.080 10 0 BGAERO Clc1sccc1/C=C1/CCC[NH2+]C1 ZINC000575526442 387532824 /nfs/dbraw/zinc/53/28/24/387532824.db2.gz RTZLQPQQIDHKRR-VURMDHGXSA-N 1 0 213.733 3.168 10 0 BGAERO Clc1sccc1C=C1CC[NH2+]CC1 ZINC000575526728 387536202 /nfs/dbraw/zinc/53/62/02/387536202.db2.gz XENSXEXQOUROHG-UHFFFAOYSA-N 1 0 213.733 3.168 10 0 BGAERO [NH3+]C1(CC=C(Cl)Cl)CCCCC1 ZINC000575527454 387546661 /nfs/dbraw/zinc/54/66/61/387546661.db2.gz DUJFBORLIGEAIT-UHFFFAOYSA-N 1 0 208.132 3.357 10 0 BGAERO C[C@@H]1CC[C@]([NH3+])(CC=C(Cl)Cl)C1 ZINC000575528993 385855258 /nfs/dbraw/zinc/85/52/58/385855258.db2.gz RXQQBWXBTRGIGX-APPZFPTMSA-N 1 0 208.132 3.213 10 0 BGAERO C[C@H]1CC[C@]([NH3+])(CC=C(Cl)Cl)C1 ZINC000575528994 385855229 /nfs/dbraw/zinc/85/52/29/385855229.db2.gz RXQQBWXBTRGIGX-CBAPKCEASA-N 1 0 208.132 3.213 10 0 BGAERO C[C@H]1CC[C@@]([NH3+])(CC=C(Cl)Cl)C1 ZINC000575528995 387540446 /nfs/dbraw/zinc/54/04/46/387540446.db2.gz RXQQBWXBTRGIGX-IONNQARKSA-N 1 0 208.132 3.213 10 0 BGAERO C[C@@H]1CC[C@@]([NH3+])(CC=C(Cl)Cl)C1 ZINC000575528996 385854858 /nfs/dbraw/zinc/85/48/58/385854858.db2.gz RXQQBWXBTRGIGX-VXNVDRBHSA-N 1 0 208.132 3.213 10 0 BGAERO C/C(=C\Cl)CC1([NH3+])CCC(C)CC1 ZINC000575529022 385854582 /nfs/dbraw/zinc/85/45/82/385854582.db2.gz WZSCZOWLROQXGV-CSKARUKUSA-N 1 0 201.741 3.427 10 0 BGAERO C/C(=C/Cl)CC1([NH3+])CCC(C)CC1 ZINC000575529023 387539504 /nfs/dbraw/zinc/53/95/04/387539504.db2.gz WZSCZOWLROQXGV-NTMALXAHSA-N 1 0 201.741 3.427 10 0 BGAERO C/C(=C\Cl)C[C@]1([NH3+])CCCC[C@@H]1C ZINC000575529035 387540873 /nfs/dbraw/zinc/54/08/73/387540873.db2.gz XHGIKCKIUVVLFS-CJUJNCCTSA-N 1 0 201.741 3.427 10 0 BGAERO C/C(=C/Cl)C[C@]1([NH3+])CCCC[C@H]1C ZINC000575529036 387540525 /nfs/dbraw/zinc/54/05/25/387540525.db2.gz XHGIKCKIUVVLFS-DLXGREBBSA-N 1 0 201.741 3.427 10 0 BGAERO C/C(=C/Cl)C[C@]1([NH3+])CCCC[C@@H]1C ZINC000575529037 387539446 /nfs/dbraw/zinc/53/94/46/387539446.db2.gz XHGIKCKIUVVLFS-DOSOYNOZSA-N 1 0 201.741 3.427 10 0 BGAERO C/C(=C\Cl)C[C@]1([NH3+])CCC[C@H](C)C1 ZINC000575529073 387540154 /nfs/dbraw/zinc/54/01/54/387540154.db2.gz YBIZBIQJDSBTIP-FBIFYRRTSA-N 1 0 201.741 3.427 10 0 BGAERO C/C(=C\Cl)C[C@]1([NH3+])CCC[C@@H](C)C1 ZINC000575529076 387539785 /nfs/dbraw/zinc/53/97/85/387539785.db2.gz YBIZBIQJDSBTIP-VDMZIHNYSA-N 1 0 201.741 3.427 10 0 BGAERO C[C@@H]1CCC[C@]1([NH3+])CC=C(Cl)Cl ZINC000575529501 387539525 /nfs/dbraw/zinc/53/95/25/387539525.db2.gz XMCOUTVIPPRDFL-APPZFPTMSA-N 1 0 208.132 3.213 10 0 BGAERO C[C@H]1CCC[C@]1([NH3+])CC=C(Cl)Cl ZINC000575529502 387540397 /nfs/dbraw/zinc/54/03/97/387540397.db2.gz XMCOUTVIPPRDFL-CBAPKCEASA-N 1 0 208.132 3.213 10 0 BGAERO C[C@H]1CCC[C@@]1([NH3+])CC=C(Cl)Cl ZINC000575529503 387539536 /nfs/dbraw/zinc/53/95/36/387539536.db2.gz XMCOUTVIPPRDFL-IONNQARKSA-N 1 0 208.132 3.213 10 0 BGAERO C[C@@H]1CCC[C@@]1([NH3+])CC=C(Cl)Cl ZINC000575529504 387541066 /nfs/dbraw/zinc/54/10/66/387541066.db2.gz XMCOUTVIPPRDFL-VXNVDRBHSA-N 1 0 208.132 3.213 10 0 BGAERO [NH3+][C@]1(CC=C(Cl)Cl)CC=CCC1 ZINC000575529760 385858656 /nfs/dbraw/zinc/85/86/56/385858656.db2.gz ARLCLFPSKOJQQE-SECBINFHSA-N 1 0 206.116 3.133 10 0 BGAERO [NH3+][C@@]1(CC=C(Cl)Cl)CC=CCC1 ZINC000575529761 387542605 /nfs/dbraw/zinc/54/26/05/387542605.db2.gz ARLCLFPSKOJQQE-VIFPVBQESA-N 1 0 206.116 3.133 10 0 BGAERO c1scc2sc([C@H]3CCC[NH2+]3)cc12 ZINC000575531048 387552421 /nfs/dbraw/zinc/55/24/21/387552421.db2.gz KDISKGRBICZWCI-MRVPVSSYSA-N 1 0 209.339 3.387 10 0 BGAERO c1scc2sc([C@@H]3CCC[NH2+]3)cc12 ZINC000575531055 387552217 /nfs/dbraw/zinc/55/22/17/387552217.db2.gz KDISKGRBICZWCI-QMMMGPOBSA-N 1 0 209.339 3.387 10 0 BGAERO Br/C=C1/CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000575543899 387592127 /nfs/dbraw/zinc/59/21/27/387592127.db2.gz BTNFOAODKKSUQK-DLXGREBBSA-N 1 0 244.176 3.207 10 0 BGAERO Br/C=C1/CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000575543900 387593202 /nfs/dbraw/zinc/59/32/02/387593202.db2.gz BTNFOAODKKSUQK-DOSOYNOZSA-N 1 0 244.176 3.207 10 0 BGAERO Br/C=C1/CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000575543901 387592375 /nfs/dbraw/zinc/59/23/75/387592375.db2.gz BTNFOAODKKSUQK-QGNYPYLESA-N 1 0 244.176 3.207 10 0 BGAERO Br/C=C1/CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000575543904 387592803 /nfs/dbraw/zinc/59/28/03/387592803.db2.gz BTNFOAODKKSUQK-XJMUJKMXSA-N 1 0 244.176 3.207 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cscc1Br ZINC000575546861 387634743 /nfs/dbraw/zinc/63/47/43/387634743.db2.gz VYLQGYKCCMQMPP-SGJFDWMWSA-N 1 0 232.146 3.087 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cscc1Br ZINC000575546862 387634489 /nfs/dbraw/zinc/63/44/89/387634489.db2.gz VYLQGYKCCMQMPP-UFUPEUMYSA-N 1 0 232.146 3.087 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccsc1Br ZINC000575546904 387634227 /nfs/dbraw/zinc/63/42/27/387634227.db2.gz WOJGBFLBPIRBHK-AIYRYJHASA-N 1 0 232.146 3.087 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccsc1Br ZINC000575546905 387634777 /nfs/dbraw/zinc/63/47/77/387634777.db2.gz WOJGBFLBPIRBHK-TYWZFMJISA-N 1 0 232.146 3.087 10 0 BGAERO CC([NH3+])(c1ccsc1)c1ccsc1 ZINC000575549880 387650688 /nfs/dbraw/zinc/65/06/88/387650688.db2.gz MWWSKPOMHWJHNU-UHFFFAOYSA-N 1 0 209.339 3.032 10 0 BGAERO C[C@@]([NH3+])(c1ccsc1Cl)C1CCC1 ZINC000575550654 387654599 /nfs/dbraw/zinc/65/45/99/387654599.db2.gz VGMRPWSKDOXEEQ-JTQLQIEISA-N 1 0 215.749 3.376 10 0 BGAERO C[C@]([NH3+])(c1ccsc1Cl)C1CCC1 ZINC000575550657 385984499 /nfs/dbraw/zinc/98/44/99/385984499.db2.gz VGMRPWSKDOXEEQ-SNVBAGLBSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1CC[C@@]1([NH3+])Cc1ccsc1Cl ZINC000575553916 387658501 /nfs/dbraw/zinc/65/85/01/387658501.db2.gz AXCBZQTYNTYZNS-GMSGAONNSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@H]1CC[C@@]1([NH3+])Cc1ccsc1Cl ZINC000575553917 387657367 /nfs/dbraw/zinc/65/73/67/387657367.db2.gz AXCBZQTYNTYZNS-OIBJUYFYSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@H]1CC[C@]1([NH3+])Cc1ccsc1Cl ZINC000575553918 385980163 /nfs/dbraw/zinc/98/01/63/385980163.db2.gz AXCBZQTYNTYZNS-XCBNKYQSSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@H]1CC[C@]1([NH3+])Cc1ccsc1Cl ZINC000575553919 385981093 /nfs/dbraw/zinc/98/10/93/385981093.db2.gz AXCBZQTYNTYZNS-XVKPBYJWSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@H]1CCC[C@]1([NH3+])c1ccsc1Cl ZINC000575553955 387657888 /nfs/dbraw/zinc/65/78/88/387657888.db2.gz BXUOYJZULAOOFB-GMSGAONNSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CCC[C@]1([NH3+])c1ccsc1Cl ZINC000575553956 387657496 /nfs/dbraw/zinc/65/74/96/387657496.db2.gz BXUOYJZULAOOFB-OIBJUYFYSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1CCC[C@@]1([NH3+])c1ccsc1Cl ZINC000575553957 387657454 /nfs/dbraw/zinc/65/74/54/387657454.db2.gz BXUOYJZULAOOFB-XCBNKYQSSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CCC[C@@]1([NH3+])c1ccsc1Cl ZINC000575553958 387658032 /nfs/dbraw/zinc/65/80/32/387658032.db2.gz BXUOYJZULAOOFB-XVKPBYJWSA-N 1 0 215.749 3.376 10 0 BGAERO [NH3+][C@]1(c2ccc(Cl)s2)CCCSC1 ZINC000575553977 387658507 /nfs/dbraw/zinc/65/85/07/387658507.db2.gz CBIIROCKROKWED-SECBINFHSA-N 1 0 233.789 3.083 10 0 BGAERO [NH3+][C@@]1(c2ccc(Cl)s2)CCCSC1 ZINC000575553979 387657629 /nfs/dbraw/zinc/65/76/29/387657629.db2.gz CBIIROCKROKWED-VIFPVBQESA-N 1 0 233.789 3.083 10 0 BGAERO CC1CC([NH3+])(c2cscc2Br)C1 ZINC000575554105 387659823 /nfs/dbraw/zinc/65/98/23/387659823.db2.gz CSNQYBFBLVTQOR-UHFFFAOYSA-N 1 0 246.173 3.095 10 0 BGAERO C[C@@H]1CC[C@@]1([NH3+])Cc1csc(Cl)c1 ZINC000575554211 387660856 /nfs/dbraw/zinc/66/08/56/387660856.db2.gz DRILIHZSTNCBSR-GMSGAONNSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@H]1CC[C@@]1([NH3+])Cc1csc(Cl)c1 ZINC000575554212 387659445 /nfs/dbraw/zinc/65/94/45/387659445.db2.gz DRILIHZSTNCBSR-OIBJUYFYSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@H]1CC[C@]1([NH3+])Cc1csc(Cl)c1 ZINC000575554214 387659753 /nfs/dbraw/zinc/65/97/53/387659753.db2.gz DRILIHZSTNCBSR-XCBNKYQSSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@H]1CC[C@]1([NH3+])Cc1csc(Cl)c1 ZINC000575554217 387659991 /nfs/dbraw/zinc/65/99/91/387659991.db2.gz DRILIHZSTNCBSR-XVKPBYJWSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@H]1CC[C@@]1([NH3+])Cc1ccc(Cl)s1 ZINC000575554892 387694461 /nfs/dbraw/zinc/69/44/61/387694461.db2.gz HYSGUQFEBDIDKT-GMSGAONNSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@H]1CC[C@@]1([NH3+])Cc1ccc(Cl)s1 ZINC000575554894 387693829 /nfs/dbraw/zinc/69/38/29/387693829.db2.gz HYSGUQFEBDIDKT-OIBJUYFYSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@H]1CC[C@]1([NH3+])Cc1ccc(Cl)s1 ZINC000575554895 387692642 /nfs/dbraw/zinc/69/26/42/387692642.db2.gz HYSGUQFEBDIDKT-XCBNKYQSSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@H]1CC[C@]1([NH3+])Cc1ccc(Cl)s1 ZINC000575554896 387694172 /nfs/dbraw/zinc/69/41/72/387694172.db2.gz HYSGUQFEBDIDKT-XVKPBYJWSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@H]1CC[C@@]1([NH3+])Cc1sccc1Cl ZINC000575554958 387697097 /nfs/dbraw/zinc/69/70/97/387697097.db2.gz ILUCRNWYLLZYLZ-GMSGAONNSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@H]1CC[C@@]1([NH3+])Cc1sccc1Cl ZINC000575554959 387696823 /nfs/dbraw/zinc/69/68/23/387696823.db2.gz ILUCRNWYLLZYLZ-OIBJUYFYSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@H]1CC[C@]1([NH3+])Cc1sccc1Cl ZINC000575554960 387695389 /nfs/dbraw/zinc/69/53/89/387695389.db2.gz ILUCRNWYLLZYLZ-XCBNKYQSSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@H]1CC[C@]1([NH3+])Cc1sccc1Cl ZINC000575554966 387695398 /nfs/dbraw/zinc/69/53/98/387695398.db2.gz ILUCRNWYLLZYLZ-XVKPBYJWSA-N 1 0 215.749 3.071 10 0 BGAERO [NH3+][C@]1(c2ccsc2Cl)CCCSC1 ZINC000575555218 387691476 /nfs/dbraw/zinc/69/14/76/387691476.db2.gz IZMWUXYKVPKWGH-SECBINFHSA-N 1 0 233.789 3.083 10 0 BGAERO [NH3+][C@@]1(c2ccsc2Cl)CCCSC1 ZINC000575555219 387690830 /nfs/dbraw/zinc/69/08/30/387690830.db2.gz IZMWUXYKVPKWGH-VIFPVBQESA-N 1 0 233.789 3.083 10 0 BGAERO C[C@@H]1CCC[C@]1([NH3+])c1sccc1Cl ZINC000575556127 387694134 /nfs/dbraw/zinc/69/41/34/387694134.db2.gz NSIDSPIKVAVQRO-GMSGAONNSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CCC[C@]1([NH3+])c1sccc1Cl ZINC000575556138 387693737 /nfs/dbraw/zinc/69/37/37/387693737.db2.gz NSIDSPIKVAVQRO-OIBJUYFYSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1CCC[C@@]1([NH3+])c1sccc1Cl ZINC000575556143 387694214 /nfs/dbraw/zinc/69/42/14/387694214.db2.gz NSIDSPIKVAVQRO-XCBNKYQSSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CCC[C@@]1([NH3+])c1sccc1Cl ZINC000575556145 387692926 /nfs/dbraw/zinc/69/29/26/387692926.db2.gz NSIDSPIKVAVQRO-XVKPBYJWSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1CCC[C@]1([NH3+])c1ccc(Cl)s1 ZINC000575556350 387694436 /nfs/dbraw/zinc/69/44/36/387694436.db2.gz PSJXOBAGKIVIFR-GMSGAONNSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CCC[C@]1([NH3+])c1ccc(Cl)s1 ZINC000575556351 387694510 /nfs/dbraw/zinc/69/45/10/387694510.db2.gz PSJXOBAGKIVIFR-OIBJUYFYSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1CCC[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000575556352 385994138 /nfs/dbraw/zinc/99/41/38/385994138.db2.gz PSJXOBAGKIVIFR-XCBNKYQSSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@H]1CCC[C@@]1([NH3+])c1ccc(Cl)s1 ZINC000575556353 387694404 /nfs/dbraw/zinc/69/44/04/387694404.db2.gz PSJXOBAGKIVIFR-XVKPBYJWSA-N 1 0 215.749 3.376 10 0 BGAERO CC1(C)CC[C@]1([NH3+])c1ccsc1Cl ZINC000575558037 387696669 /nfs/dbraw/zinc/69/66/69/387696669.db2.gz BDYXZCULDWWMCS-JTQLQIEISA-N 1 0 215.749 3.376 10 0 BGAERO CC1(C)CC[C@@]1([NH3+])c1ccsc1Cl ZINC000575558041 387697052 /nfs/dbraw/zinc/69/70/52/387697052.db2.gz BDYXZCULDWWMCS-SNVBAGLBSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1CC[C@]1([NH3+])c1cscc1Br ZINC000575558108 387696129 /nfs/dbraw/zinc/69/61/29/387696129.db2.gz WKMZOPOFEFKEDC-HZGVNTEJSA-N 1 0 246.173 3.095 10 0 BGAERO C[C@H]1CC[C@]1([NH3+])c1cscc1Br ZINC000575558111 387696223 /nfs/dbraw/zinc/69/62/23/387696223.db2.gz WKMZOPOFEFKEDC-IMTBSYHQSA-N 1 0 246.173 3.095 10 0 BGAERO C[C@@H]1CC[C@@]1([NH3+])c1cscc1Br ZINC000575558112 387696242 /nfs/dbraw/zinc/69/62/42/387696242.db2.gz WKMZOPOFEFKEDC-MUWHJKNJSA-N 1 0 246.173 3.095 10 0 BGAERO C[C@H]1CC[C@@]1([NH3+])c1cscc1Br ZINC000575558113 387695749 /nfs/dbraw/zinc/69/57/49/387695749.db2.gz WKMZOPOFEFKEDC-RCOVLWMOSA-N 1 0 246.173 3.095 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(Br)s1 ZINC000575558190 386002850 /nfs/dbraw/zinc/00/28/50/386002850.db2.gz LMEWTWMBGFWPIG-SZKDQXIBSA-N 1 0 232.146 3.087 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(Br)s1 ZINC000575558192 387696114 /nfs/dbraw/zinc/69/61/14/387696114.db2.gz LMEWTWMBGFWPIG-YRFDSLTASA-N 1 0 232.146 3.087 10 0 BGAERO [NH3+][C@]1(c2sccc2Cl)CCCSC1 ZINC000575558905 387699322 /nfs/dbraw/zinc/69/93/22/387699322.db2.gz ZLASOIRBHAUTOL-SECBINFHSA-N 1 0 233.789 3.083 10 0 BGAERO [NH3+][C@@]1(c2sccc2Cl)CCCSC1 ZINC000575558906 387698718 /nfs/dbraw/zinc/69/87/18/387698718.db2.gz ZLASOIRBHAUTOL-VIFPVBQESA-N 1 0 233.789 3.083 10 0 BGAERO C[C@H]1SCC[C@]1([NH3+])c1sccc1Cl ZINC000575560411 387699594 /nfs/dbraw/zinc/69/95/94/387699594.db2.gz KKAHPDPZASVLIU-HZGVNTEJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1SCC[C@]1([NH3+])c1sccc1Cl ZINC000575560414 387698916 /nfs/dbraw/zinc/69/89/16/387698916.db2.gz KKAHPDPZASVLIU-IMTBSYHQSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1SCC[C@@]1([NH3+])c1sccc1Cl ZINC000575560416 387698107 /nfs/dbraw/zinc/69/81/07/387698107.db2.gz KKAHPDPZASVLIU-MUWHJKNJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1SCC[C@@]1([NH3+])c1sccc1Cl ZINC000575560418 387698300 /nfs/dbraw/zinc/69/83/00/387698300.db2.gz KKAHPDPZASVLIU-RCOVLWMOSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@]([NH3+])(c1sccc1Cl)C1CCC1 ZINC000575560721 387699102 /nfs/dbraw/zinc/69/91/02/387699102.db2.gz LQVUPKLNKSMROE-JTQLQIEISA-N 1 0 215.749 3.376 10 0 BGAERO C[C@]([NH3+])(c1sccc1Cl)C1CCC1 ZINC000575560722 387698242 /nfs/dbraw/zinc/69/82/42/387698242.db2.gz LQVUPKLNKSMROE-SNVBAGLBSA-N 1 0 215.749 3.376 10 0 BGAERO CC1(C)CC([NH3+])(c2sccc2Cl)C1 ZINC000575560739 387698999 /nfs/dbraw/zinc/69/89/99/387698999.db2.gz MYAAEGKACPUXRV-UHFFFAOYSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2ccc(Cl)s2)[C@@H]1C ZINC000575560748 386015992 /nfs/dbraw/zinc/01/59/92/386015992.db2.gz NDFJPUZLQQGGHS-BRDIYROLSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2ccc(Cl)s2)[C@H]1C ZINC000575560750 387697933 /nfs/dbraw/zinc/69/79/33/387697933.db2.gz NDFJPUZLQQGGHS-FWWHASMVSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2ccc(Cl)s2)[C@H]1C ZINC000575560752 387698047 /nfs/dbraw/zinc/69/80/47/387698047.db2.gz NDFJPUZLQQGGHS-MATHAZKKSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2ccc(Cl)s2)[C@@H]1C ZINC000575560753 387699218 /nfs/dbraw/zinc/69/92/18/387699218.db2.gz NDFJPUZLQQGGHS-XSSZXYGBSA-N 1 0 215.749 3.231 10 0 BGAERO CC1(C)CC([NH3+])(c2ccsc2Cl)C1 ZINC000575560763 387698738 /nfs/dbraw/zinc/69/87/38/387698738.db2.gz NEWDYDOPXCVYGN-UHFFFAOYSA-N 1 0 215.749 3.376 10 0 BGAERO CC1(C)C[C@@]1([NH3+])Cc1csc(Cl)c1 ZINC000575561035 387698118 /nfs/dbraw/zinc/69/81/18/387698118.db2.gz NSMFZBRIOLXFRI-JTQLQIEISA-N 1 0 215.749 3.071 10 0 BGAERO CC1(C)C[C@]1([NH3+])Cc1csc(Cl)c1 ZINC000575561036 386019208 /nfs/dbraw/zinc/01/92/08/386019208.db2.gz NSMFZBRIOLXFRI-SNVBAGLBSA-N 1 0 215.749 3.071 10 0 BGAERO CC1(C)C[C@@]1([NH3+])Cc1ccsc1Cl ZINC000575561144 387702811 /nfs/dbraw/zinc/70/28/11/387702811.db2.gz OLFOLUNWLRDQKC-JTQLQIEISA-N 1 0 215.749 3.071 10 0 BGAERO CC1(C)C[C@]1([NH3+])Cc1ccsc1Cl ZINC000575561146 387700639 /nfs/dbraw/zinc/70/06/39/387700639.db2.gz OLFOLUNWLRDQKC-SNVBAGLBSA-N 1 0 215.749 3.071 10 0 BGAERO C[C@@]([NH3+])(c1ccc(Cl)s1)C1CCC1 ZINC000575561411 386021713 /nfs/dbraw/zinc/02/17/13/386021713.db2.gz OPYSRYQZBSTSSV-JTQLQIEISA-N 1 0 215.749 3.376 10 0 BGAERO C[C@]([NH3+])(c1ccc(Cl)s1)C1CCC1 ZINC000575561412 387701994 /nfs/dbraw/zinc/70/19/94/387701994.db2.gz OPYSRYQZBSTSSV-SNVBAGLBSA-N 1 0 215.749 3.376 10 0 BGAERO CC1(C)CC[C@]1([NH3+])c1sccc1Cl ZINC000575561553 387706583 /nfs/dbraw/zinc/70/65/83/387706583.db2.gz ROASRNUMXYYOAH-JTQLQIEISA-N 1 0 215.749 3.376 10 0 BGAERO CC1(C)CC[C@@]1([NH3+])c1sccc1Cl ZINC000575561554 387705748 /nfs/dbraw/zinc/70/57/48/387705748.db2.gz ROASRNUMXYYOAH-SNVBAGLBSA-N 1 0 215.749 3.376 10 0 BGAERO CC1(C)CC([NH3+])(c2ccc(Cl)s2)C1 ZINC000575561645 386023837 /nfs/dbraw/zinc/02/38/37/386023837.db2.gz SLGAYGNKRDBGIO-UHFFFAOYSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2sccc2Cl)[C@@H]1C ZINC000575561749 387706452 /nfs/dbraw/zinc/70/64/52/387706452.db2.gz UBPDAXNEVXULLC-BRDIYROLSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2sccc2Cl)[C@H]1C ZINC000575561750 386024102 /nfs/dbraw/zinc/02/41/02/386024102.db2.gz UBPDAXNEVXULLC-FWWHASMVSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2sccc2Cl)[C@H]1C ZINC000575561751 387706077 /nfs/dbraw/zinc/70/60/77/387706077.db2.gz UBPDAXNEVXULLC-MATHAZKKSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2sccc2Cl)[C@@H]1C ZINC000575561752 387706892 /nfs/dbraw/zinc/70/68/92/387706892.db2.gz UBPDAXNEVXULLC-XSSZXYGBSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@H]1SCC[C@]1([NH3+])c1ccsc1Cl ZINC000575562165 386029951 /nfs/dbraw/zinc/02/99/51/386029951.db2.gz YVTXRMSEKONTOQ-HZGVNTEJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1SCC[C@]1([NH3+])c1ccsc1Cl ZINC000575562166 386029634 /nfs/dbraw/zinc/02/96/34/386029634.db2.gz YVTXRMSEKONTOQ-IMTBSYHQSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1SCC[C@@]1([NH3+])c1ccsc1Cl ZINC000575562167 387702871 /nfs/dbraw/zinc/70/28/71/387702871.db2.gz YVTXRMSEKONTOQ-MUWHJKNJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1SCC[C@@]1([NH3+])c1ccsc1Cl ZINC000575562168 386029490 /nfs/dbraw/zinc/02/94/90/386029490.db2.gz YVTXRMSEKONTOQ-RCOVLWMOSA-N 1 0 233.789 3.081 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cc(F)ccc1Br ZINC000575562688 386032488 /nfs/dbraw/zinc/03/24/88/386032488.db2.gz BCXOMCTVWHYRLO-PBKGFPTLSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cc(F)ccc1Br ZINC000575562689 387704254 /nfs/dbraw/zinc/70/42/54/387704254.db2.gz BCXOMCTVWHYRLO-VMZHVLLKSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(Br)cc1F ZINC000575562732 387703967 /nfs/dbraw/zinc/70/39/67/387703967.db2.gz CJZIFUVYHBLWSY-PBKGFPTLSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(Br)cc1F ZINC000575562733 387704065 /nfs/dbraw/zinc/70/40/65/387704065.db2.gz CJZIFUVYHBLWSY-VMZHVLLKSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cc(Br)ccc1C ZINC000575562855 387703782 /nfs/dbraw/zinc/70/37/82/387703782.db2.gz FJNABXIFXVWARC-PGLGOXFNSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cc(Br)ccc1C ZINC000575562863 387703551 /nfs/dbraw/zinc/70/35/51/387703551.db2.gz FJNABXIFXVWARC-UFFNRZRYSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1c(F)cccc1Br ZINC000575562877 386031363 /nfs/dbraw/zinc/03/13/63/386031363.db2.gz FUYGHCFIGUBQEY-HDMKULJXSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@H]([NH3+])c1c(F)cccc1Br ZINC000575562878 387704381 /nfs/dbraw/zinc/70/43/81/387704381.db2.gz FUYGHCFIGUBQEY-LXOKAJLYSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(Br)cc1C ZINC000575562988 386031129 /nfs/dbraw/zinc/03/11/29/386031129.db2.gz ILZIWHGXLPOHIO-PGLGOXFNSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(Br)cc1C ZINC000575562989 387704902 /nfs/dbraw/zinc/70/49/02/387704902.db2.gz ILZIWHGXLPOHIO-UFFNRZRYSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(C)cc1Br ZINC000575563417 386041996 /nfs/dbraw/zinc/04/19/96/386041996.db2.gz LGFHMAFOHBVTCA-PGLGOXFNSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(C)cc1Br ZINC000575563418 387704643 /nfs/dbraw/zinc/70/46/43/387704643.db2.gz LGFHMAFOHBVTCA-UFFNRZRYSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000575563482 386043226 /nfs/dbraw/zinc/04/32/26/386043226.db2.gz MVEMJRGIRXZXCY-PBKGFPTLSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cc(F)cc(Br)c1 ZINC000575563485 386041662 /nfs/dbraw/zinc/04/16/62/386041662.db2.gz MVEMJRGIRXZXCY-VMZHVLLKSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(Br)cc1 ZINC000575563501 387703697 /nfs/dbraw/zinc/70/36/97/387703697.db2.gz NPYFCSMBSQQYOT-PBKGFPTLSA-N 1 0 226.117 3.025 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000575563503 387704365 /nfs/dbraw/zinc/70/43/65/387704365.db2.gz NPYFCSMBSQQYOT-VMZHVLLKSA-N 1 0 226.117 3.025 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cc(Br)ccc1F ZINC000575563645 387706993 /nfs/dbraw/zinc/70/69/93/387706993.db2.gz RHKVJQGTRZYXBD-PBKGFPTLSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cc(Br)ccc1F ZINC000575563646 387706378 /nfs/dbraw/zinc/70/63/78/387706378.db2.gz RHKVJQGTRZYXBD-VMZHVLLKSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000575563977 387707207 /nfs/dbraw/zinc/70/72/07/387707207.db2.gz YFFNYZUCFWHCFQ-PGLGOXFNSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(C)c(Br)c1 ZINC000575563978 386052896 /nfs/dbraw/zinc/05/28/96/386052896.db2.gz YFFNYZUCFWHCFQ-UFFNRZRYSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cccc(Br)c1 ZINC000575563984 387706463 /nfs/dbraw/zinc/70/64/63/387706463.db2.gz YNPIJOCKAQNFHS-XCRNYIDWSA-N 1 0 226.117 3.025 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cccc(Br)c1 ZINC000575563985 386054120 /nfs/dbraw/zinc/05/41/20/386054120.db2.gz YNPIJOCKAQNFHS-YWNRKNDBSA-N 1 0 226.117 3.025 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccccc1Br ZINC000575564006 387706407 /nfs/dbraw/zinc/70/64/07/387706407.db2.gz ZFCRVKHQUQIQLY-FWYAXHSGSA-N 1 0 226.117 3.025 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccccc1Br ZINC000575564007 387706671 /nfs/dbraw/zinc/70/66/71/387706671.db2.gz ZFCRVKHQUQIQLY-JYBNPQIESA-N 1 0 226.117 3.025 10 0 BGAERO C/C=C/[C@H]([NH3+])c1c(C)cccc1Br ZINC000575565197 387727269 /nfs/dbraw/zinc/72/72/69/387727269.db2.gz ACIXOUJQUHLHRP-GFAPAMAISA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1c(C)cccc1Br ZINC000575565198 387728726 /nfs/dbraw/zinc/72/87/26/387728726.db2.gz ACIXOUJQUHLHRP-RXNUUUNCSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1scc(C)c1Cl ZINC000575565234 387727373 /nfs/dbraw/zinc/72/73/73/387727373.db2.gz ADFJWZRLADOPQL-KGGZQZJCSA-N 1 0 201.722 3.286 10 0 BGAERO C/C=C/[C@H]([NH3+])c1scc(C)c1Cl ZINC000575565254 387727770 /nfs/dbraw/zinc/72/77/70/387727770.db2.gz ADFJWZRLADOPQL-SDLBARTOSA-N 1 0 201.722 3.286 10 0 BGAERO C/C=C/[C@H]([NH3+])c1sccc1Br ZINC000575565591 386079383 /nfs/dbraw/zinc/07/93/83/386079383.db2.gz DGBQNUYHTAPMCF-AIYRYJHASA-N 1 0 232.146 3.087 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1sccc1Br ZINC000575565593 387733185 /nfs/dbraw/zinc/73/31/85/387733185.db2.gz DGBQNUYHTAPMCF-TYWZFMJISA-N 1 0 232.146 3.087 10 0 BGAERO C[C@@H]1C[C@H]1[C@](C)([NH3+])c1ccsc1Cl ZINC000575565705 387734668 /nfs/dbraw/zinc/73/46/68/387734668.db2.gz CEOPCIYNVRDLTF-GTNGPMTGSA-N 1 0 215.749 3.231 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cccc(C)c1Br ZINC000575566011 387732677 /nfs/dbraw/zinc/73/26/77/387732677.db2.gz FZLPKJRQGGBUAR-GFAPAMAISA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cccc(C)c1Br ZINC000575566013 387733630 /nfs/dbraw/zinc/73/36/30/387733630.db2.gz FZLPKJRQGGBUAR-RXNUUUNCSA-N 1 0 240.144 3.333 10 0 BGAERO C[C@@H]1C[C@@H]1[C@](C)([NH3+])c1ccsc1Cl ZINC000575566148 387733439 /nfs/dbraw/zinc/73/34/39/387733439.db2.gz CEOPCIYNVRDLTF-KDILMLJESA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@](C)([NH3+])c1ccsc1Cl ZINC000575566149 387734535 /nfs/dbraw/zinc/73/45/35/387734535.db2.gz CEOPCIYNVRDLTF-PMVVWTBXSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@H]1[C@@](C)([NH3+])c1ccsc1Cl ZINC000575566152 386079359 /nfs/dbraw/zinc/07/93/59/386079359.db2.gz CEOPCIYNVRDLTF-YNEQXMIYSA-N 1 0 215.749 3.231 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cccc(Br)c1F ZINC000575567046 387734319 /nfs/dbraw/zinc/73/43/19/387734319.db2.gz ITOLAKVPDLCBNX-HDMKULJXSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cccc(Br)c1F ZINC000575567047 387733047 /nfs/dbraw/zinc/73/30/47/387733047.db2.gz ITOLAKVPDLCBNX-LXOKAJLYSA-N 1 0 244.107 3.164 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000575567542 386093640 /nfs/dbraw/zinc/09/36/40/386093640.db2.gz LDWLHNLAZMQHOZ-PGLGOXFNSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cc(C)cc(Br)c1 ZINC000575567544 387736364 /nfs/dbraw/zinc/73/63/64/387736364.db2.gz LDWLHNLAZMQHOZ-UFFNRZRYSA-N 1 0 240.144 3.333 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2ccsc2Cl)[C@@H]1C ZINC000575567699 387736533 /nfs/dbraw/zinc/73/65/33/387736533.db2.gz KLMNUVQFJVPVNA-BRDIYROLSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2ccsc2Cl)[C@H]1C ZINC000575567700 387736310 /nfs/dbraw/zinc/73/63/10/387736310.db2.gz KLMNUVQFJVPVNA-FWWHASMVSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2ccsc2Cl)[C@H]1C ZINC000575567701 387736277 /nfs/dbraw/zinc/73/62/77/387736277.db2.gz KLMNUVQFJVPVNA-MATHAZKKSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2ccsc2Cl)[C@@H]1C ZINC000575567704 387735716 /nfs/dbraw/zinc/73/57/16/387735716.db2.gz KLMNUVQFJVPVNA-XSSZXYGBSA-N 1 0 215.749 3.231 10 0 BGAERO C/C=C/[C@H]([NH3+])c1csc(Br)c1 ZINC000575568167 387728627 /nfs/dbraw/zinc/72/86/27/387728627.db2.gz PAKCFCFZICWGRN-AIYRYJHASA-N 1 0 232.146 3.087 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1csc(Br)c1 ZINC000575568168 387728236 /nfs/dbraw/zinc/72/82/36/387728236.db2.gz PAKCFCFZICWGRN-TYWZFMJISA-N 1 0 232.146 3.087 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cc(C)ccc1Br ZINC000575568253 387728972 /nfs/dbraw/zinc/72/89/72/387728972.db2.gz PKQRKYXLPKVCJG-PGLGOXFNSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cc(C)ccc1Br ZINC000575568256 387727968 /nfs/dbraw/zinc/72/79/68/387727968.db2.gz PKQRKYXLPKVCJG-UFFNRZRYSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cccc(Br)c1C ZINC000575568446 387728203 /nfs/dbraw/zinc/72/82/03/387728203.db2.gz QMJIRXZLAYCRPJ-JOAKQRRISA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1cccc(Br)c1C ZINC000575568447 387726579 /nfs/dbraw/zinc/72/65/79/387726579.db2.gz QMJIRXZLAYCRPJ-TZNOJPMFSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1cc(C)c(Br)s1 ZINC000575568506 387731650 /nfs/dbraw/zinc/73/16/50/387731650.db2.gz RMWZFORFXUXRMD-KGGZQZJCSA-N 1 0 246.173 3.395 10 0 BGAERO C[C@@H]1C[C@H]1[C@@](C)([NH3+])c1sccc1Cl ZINC000575569991 387736382 /nfs/dbraw/zinc/73/63/82/387736382.db2.gz RSKHBQDLCVCPNH-BRDIYROLSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2ccsc2Cl)CS1 ZINC000575570269 387738219 /nfs/dbraw/zinc/73/82/19/387738219.db2.gz FREQSWSEUNUNLW-HZGVNTEJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1C[C@]([NH3+])(c2ccsc2Cl)CS1 ZINC000575570275 398148792 /nfs/dbraw/zinc/14/87/92/398148792.db2.gz FREQSWSEUNUNLW-IMTBSYHQSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2ccsc2Cl)CS1 ZINC000575570279 387738845 /nfs/dbraw/zinc/73/88/45/387738845.db2.gz FREQSWSEUNUNLW-MUWHJKNJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1C[C@@]([NH3+])(c2ccsc2Cl)CS1 ZINC000575570283 387739170 /nfs/dbraw/zinc/73/91/70/387739170.db2.gz FREQSWSEUNUNLW-RCOVLWMOSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1C[C@@H]1[C@](C)([NH3+])c1sccc1Cl ZINC000575570310 386137728 /nfs/dbraw/zinc/13/77/28/386137728.db2.gz RSKHBQDLCVCPNH-FWWHASMVSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@](C)([NH3+])c1sccc1Cl ZINC000575570313 387739507 /nfs/dbraw/zinc/73/95/07/387739507.db2.gz RSKHBQDLCVCPNH-MATHAZKKSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@H]1[C@](C)([NH3+])c1sccc1Cl ZINC000575570317 387739020 /nfs/dbraw/zinc/73/90/20/387739020.db2.gz RSKHBQDLCVCPNH-XSSZXYGBSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@H]1[C@@](C)([NH3+])c1ccc(Cl)s1 ZINC000575570739 386141460 /nfs/dbraw/zinc/14/14/60/386141460.db2.gz UDKBENXYMJQDOJ-BRDIYROLSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@H]1[C@](C)([NH3+])c1ccc(Cl)s1 ZINC000575570743 387739217 /nfs/dbraw/zinc/73/92/17/387739217.db2.gz UDKBENXYMJQDOJ-FWWHASMVSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@@H]1[C@@](C)([NH3+])c1ccc(Cl)s1 ZINC000575570745 387739517 /nfs/dbraw/zinc/73/95/17/387739517.db2.gz UDKBENXYMJQDOJ-MATHAZKKSA-N 1 0 215.749 3.231 10 0 BGAERO C[C@@H]1C[C@H]1[C@](C)([NH3+])c1ccc(Cl)s1 ZINC000575570747 387741831 /nfs/dbraw/zinc/74/18/31/387741831.db2.gz UDKBENXYMJQDOJ-XSSZXYGBSA-N 1 0 215.749 3.231 10 0 BGAERO C/C=C/[C@@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000575571005 386144524 /nfs/dbraw/zinc/14/45/24/386144524.db2.gz ZSMYVCIVGBPGHB-PGLGOXFNSA-N 1 0 240.144 3.333 10 0 BGAERO C/C=C/[C@H]([NH3+])c1ccc(Br)c(C)c1 ZINC000575571007 387739947 /nfs/dbraw/zinc/73/99/47/387739947.db2.gz ZSMYVCIVGBPGHB-UFFNRZRYSA-N 1 0 240.144 3.333 10 0 BGAERO CC[NH2+][C@@H](C)c1ccsc1Br ZINC000575571034 386145196 /nfs/dbraw/zinc/14/51/96/386145196.db2.gz RQXYYAWBGWUCFC-LURJTMIESA-N 1 0 234.162 3.181 10 0 BGAERO CC[NH2+][C@H](C)c1ccsc1Br ZINC000575571035 386145654 /nfs/dbraw/zinc/14/56/54/386145654.db2.gz RQXYYAWBGWUCFC-ZCFIWIBFSA-N 1 0 234.162 3.181 10 0 BGAERO C[C@@H]1C[C@@]1(C)[C@H]([NH3+])c1ccsc1Cl ZINC000575571097 387741592 /nfs/dbraw/zinc/74/15/92/387741592.db2.gz HSJVJJZRKLUXBM-GTNGPMTGSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1ccsc1Cl ZINC000575571098 387740482 /nfs/dbraw/zinc/74/04/82/387740482.db2.gz HSJVJJZRKLUXBM-KDILMLJESA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@]1(C)[C@@H]([NH3+])c1ccsc1Cl ZINC000575571100 386144177 /nfs/dbraw/zinc/14/41/77/386144177.db2.gz HSJVJJZRKLUXBM-PMVVWTBXSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@]1(C)[C@H]([NH3+])c1ccsc1Cl ZINC000575571101 386144616 /nfs/dbraw/zinc/14/46/16/386144616.db2.gz HSJVJJZRKLUXBM-YNEQXMIYSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2sccc2Cl)CS1 ZINC000575573487 387754334 /nfs/dbraw/zinc/75/43/34/387754334.db2.gz WPZFDBCTBIUHCO-HZGVNTEJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1C[C@]([NH3+])(c2sccc2Cl)CS1 ZINC000575573488 387753975 /nfs/dbraw/zinc/75/39/75/387753975.db2.gz WPZFDBCTBIUHCO-IMTBSYHQSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2sccc2Cl)CS1 ZINC000575573489 387754782 /nfs/dbraw/zinc/75/47/82/387754782.db2.gz WPZFDBCTBIUHCO-MUWHJKNJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1C[C@@]([NH3+])(c2sccc2Cl)CS1 ZINC000575573541 386164923 /nfs/dbraw/zinc/16/49/23/386164923.db2.gz WPZFDBCTBIUHCO-RCOVLWMOSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1C[C@]([NH3+])(c2ccc(Cl)s2)CS1 ZINC000575573819 386166320 /nfs/dbraw/zinc/16/63/20/386166320.db2.gz YKJJNIVTXJOVNM-HZGVNTEJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1C[C@]([NH3+])(c2ccc(Cl)s2)CS1 ZINC000575573820 387749664 /nfs/dbraw/zinc/74/96/64/387749664.db2.gz YKJJNIVTXJOVNM-IMTBSYHQSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@@H]1C[C@@]([NH3+])(c2ccc(Cl)s2)CS1 ZINC000575573821 387750273 /nfs/dbraw/zinc/75/02/73/387750273.db2.gz YKJJNIVTXJOVNM-MUWHJKNJSA-N 1 0 233.789 3.081 10 0 BGAERO C[C@H]1C[C@@]([NH3+])(c2ccc(Cl)s2)CS1 ZINC000575573823 387750779 /nfs/dbraw/zinc/75/07/79/387750779.db2.gz YKJJNIVTXJOVNM-RCOVLWMOSA-N 1 0 233.789 3.081 10 0 BGAERO [NH3+]C1(c2ccsc2Cl)CCSCC1 ZINC000575575316 386994486 /nfs/dbraw/zinc/99/44/86/386994486.db2.gz FXNFZKIJHDRAIW-UHFFFAOYSA-N 1 0 233.789 3.083 10 0 BGAERO [NH3+]C1(c2sccc2Cl)CCSCC1 ZINC000575575941 387006028 /nfs/dbraw/zinc/00/60/28/387006028.db2.gz KFEBVJQTOJRFNT-UHFFFAOYSA-N 1 0 233.789 3.083 10 0 BGAERO C[C@]([NH3+])(c1ccsc1)c1cccs1 ZINC000575576320 387025295 /nfs/dbraw/zinc/02/52/95/387025295.db2.gz LSEOETCFAHEPMZ-JTQLQIEISA-N 1 0 209.339 3.032 10 0 BGAERO C[C@@]([NH3+])(c1ccsc1)c1cccs1 ZINC000575576321 387024662 /nfs/dbraw/zinc/02/46/62/387024662.db2.gz LSEOETCFAHEPMZ-SNVBAGLBSA-N 1 0 209.339 3.032 10 0 BGAERO [NH3+]C1(c2ccc(Cl)s2)CCSCC1 ZINC000575576543 387029251 /nfs/dbraw/zinc/02/92/51/387029251.db2.gz MNMSYWUZYHNNLW-UHFFFAOYSA-N 1 0 233.789 3.083 10 0 BGAERO C[C@]([NH3+])(c1sccc1Cl)C1(C)CC1 ZINC000575576545 387029146 /nfs/dbraw/zinc/02/91/46/387029146.db2.gz MPSDWTVFXZPGRE-JTQLQIEISA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@]([NH3+])(c1sccc1Cl)C1(C)CC1 ZINC000575576549 387028353 /nfs/dbraw/zinc/02/83/53/387028353.db2.gz MPSDWTVFXZPGRE-SNVBAGLBSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@]([NH3+])(c1ccc(Cl)s1)C1(C)CC1 ZINC000575577337 387035975 /nfs/dbraw/zinc/03/59/75/387035975.db2.gz PZFUYZSBIIHSPJ-JTQLQIEISA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@]([NH3+])(c1ccc(Cl)s1)C1(C)CC1 ZINC000575577338 387035035 /nfs/dbraw/zinc/03/50/35/387035035.db2.gz PZFUYZSBIIHSPJ-SNVBAGLBSA-N 1 0 215.749 3.376 10 0 BGAERO C[C@]([NH3+])(c1ccsc1Cl)C1(C)CC1 ZINC000575578956 386212353 /nfs/dbraw/zinc/21/23/53/386212353.db2.gz VKZMJWLIYWJKAX-JTQLQIEISA-N 1 0 215.749 3.376 10 0 BGAERO C[C@@]([NH3+])(c1ccsc1Cl)C1(C)CC1 ZINC000575578958 387045336 /nfs/dbraw/zinc/04/53/36/387045336.db2.gz VKZMJWLIYWJKAX-SNVBAGLBSA-N 1 0 215.749 3.376 10 0 BGAERO CC1(C)C[C@@H]1c1[nH+]cn(Cc2ccccc2)c1N ZINC000575581735 397984677 /nfs/dbraw/zinc/98/46/77/397984677.db2.gz WXEJIELBBSOTCN-GFCCVEGCSA-N 1 0 241.338 3.027 10 0 BGAERO CC1(C)C[C@H]1c1[nH+]cn(Cc2ccccc2)c1N ZINC000575581736 397984841 /nfs/dbraw/zinc/98/48/41/397984841.db2.gz WXEJIELBBSOTCN-LBPRGKRZSA-N 1 0 241.338 3.027 10 0 BGAERO C[C@@H]1C[C@@]1(C)[C@H]([NH3+])c1ccc(Br)o1 ZINC000575582374 386247703 /nfs/dbraw/zinc/24/77/03/386247703.db2.gz FIPVFAOPJYSTQT-BDODKLCJSA-N 1 0 244.132 3.088 10 0 BGAERO C[C@@H]1C[C@]1(C)[C@H]([NH3+])c1ccc(Br)o1 ZINC000575582413 397984630 /nfs/dbraw/zinc/98/46/30/397984630.db2.gz FIPVFAOPJYSTQT-DRTBCBBWSA-N 1 0 244.132 3.088 10 0 BGAERO C[C@@H]1C[C@]1(C)[C@@H]([NH3+])c1ccc(Br)o1 ZINC000575582414 386256849 /nfs/dbraw/zinc/25/68/49/386256849.db2.gz FIPVFAOPJYSTQT-UASFKTIASA-N 1 0 244.132 3.088 10 0 BGAERO C[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1ccc(Br)o1 ZINC000575582415 397984636 /nfs/dbraw/zinc/98/46/36/397984636.db2.gz FIPVFAOPJYSTQT-WHFVKQHSSA-N 1 0 244.132 3.088 10 0 BGAERO C[C@@H]1C[C@@]1(C)[C@H]([NH3+])c1occc1Br ZINC000575582852 387061210 /nfs/dbraw/zinc/06/12/10/387061210.db2.gz IKLDRYWSKLWPQR-BDODKLCJSA-N 1 0 244.132 3.088 10 0 BGAERO C[C@@H]1C[C@]1(C)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000575583101 387060455 /nfs/dbraw/zinc/06/04/55/387060455.db2.gz JSSKPQAOAUSDBD-UASFKTIASA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1ccc(Cl)s1 ZINC000575583102 387061716 /nfs/dbraw/zinc/06/17/16/387061716.db2.gz JSSKPQAOAUSDBD-WHFVKQHSSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@@]1(C)[C@H]([NH3+])c1sccc1Cl ZINC000575583569 386264895 /nfs/dbraw/zinc/26/48/95/386264895.db2.gz OEIVSIADNWTDIJ-BDODKLCJSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@]1(C)[C@H]([NH3+])c1sccc1Cl ZINC000575583570 387057863 /nfs/dbraw/zinc/05/78/63/387057863.db2.gz OEIVSIADNWTDIJ-DRTBCBBWSA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@]1(C)[C@@H]([NH3+])c1sccc1Cl ZINC000575583571 386264735 /nfs/dbraw/zinc/26/47/35/386264735.db2.gz OEIVSIADNWTDIJ-UASFKTIASA-N 1 0 215.749 3.447 10 0 BGAERO C[C@@H]1C[C@@]1(C)[C@@H]([NH3+])c1sccc1Cl ZINC000575583572 387059161 /nfs/dbraw/zinc/05/91/61/387059161.db2.gz OEIVSIADNWTDIJ-WHFVKQHSSA-N 1 0 215.749 3.447 10 0 BGAERO [NH3+]C1CCC(c2ccsc2Cl)CC1 ZINC000575585420 387140770 /nfs/dbraw/zinc/14/07/70/387140770.db2.gz UVKZGKMCUYKSLU-UHFFFAOYSA-N 1 0 215.749 3.386 10 0 BGAERO CC1(C)C[C@@]1([NH3+])Cc1sccc1Cl ZINC000575589551 387196977 /nfs/dbraw/zinc/19/69/77/387196977.db2.gz VIYZCMULPACTKF-JTQLQIEISA-N 1 0 215.749 3.071 10 0 BGAERO CC1(C)C[C@]1([NH3+])Cc1sccc1Cl ZINC000575589557 387196135 /nfs/dbraw/zinc/19/61/35/387196135.db2.gz VIYZCMULPACTKF-SNVBAGLBSA-N 1 0 215.749 3.071 10 0 BGAERO CC1(C)C[C@@]1([NH3+])Cc1ccc(Cl)s1 ZINC000575590003 387201130 /nfs/dbraw/zinc/20/11/30/387201130.db2.gz ZVBZKATVXQPQEX-JTQLQIEISA-N 1 0 215.749 3.071 10 0 BGAERO CC1(C)C[C@]1([NH3+])Cc1ccc(Cl)s1 ZINC000575590005 387201651 /nfs/dbraw/zinc/20/16/51/387201651.db2.gz ZVBZKATVXQPQEX-SNVBAGLBSA-N 1 0 215.749 3.071 10 0 BGAERO CC1(C)C[NH2+][C@@H]1c1ccsc1Br ZINC000575592128 387211302 /nfs/dbraw/zinc/21/13/02/387211302.db2.gz OCBMUGUZVVYMMR-SSDOTTSWSA-N 1 0 246.173 3.181 10 0 BGAERO CC1(C)C[NH2+][C@H]1c1ccsc1Br ZINC000575592130 387211637 /nfs/dbraw/zinc/21/16/37/387211637.db2.gz OCBMUGUZVVYMMR-ZETCQYMHSA-N 1 0 246.173 3.181 10 0 BGAERO CCc1cc(C[NH3+])c(C)cc1C(F)(F)F ZINC000575725119 387459197 /nfs/dbraw/zinc/45/91/97/387459197.db2.gz ALCFDVIQEOILOH-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1c(C)cc(C(F)(F)F)cc1C[NH3+] ZINC000575725409 387461015 /nfs/dbraw/zinc/46/10/15/387461015.db2.gz DLDHBXJNONCICG-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C)c(C[NH3+])cc1C(F)(F)F ZINC000575725415 387460950 /nfs/dbraw/zinc/46/09/50/387460950.db2.gz DNZUNHDOZJHLIG-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C)cc(C[NH3+])c1C(F)(F)F ZINC000575725436 387462195 /nfs/dbraw/zinc/46/21/95/387462195.db2.gz DYARJSJWWCSJHV-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C)cc(C(F)(F)F)c1C[NH3+] ZINC000575725453 387462080 /nfs/dbraw/zinc/46/20/80/387462080.db2.gz FMYBAPDLTILETN-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C(F)(F)F)c(C[NH3+])cc1C ZINC000575725484 387461301 /nfs/dbraw/zinc/46/13/01/387461301.db2.gz GHZFNEHOJKDUPS-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C[NH3+])c(C)c(C(F)(F)F)c1 ZINC000575725491 387461292 /nfs/dbraw/zinc/46/12/92/387461292.db2.gz GMECEHGUONCMKE-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C(F)(F)F)c(C)cc1C[NH3+] ZINC000575725958 387461805 /nfs/dbraw/zinc/46/18/05/387461805.db2.gz JNLJXUZQHUQPMG-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C)c(C(F)(F)F)c(C[NH3+])c1 ZINC000575725983 384910565 /nfs/dbraw/zinc/91/05/65/384910565.db2.gz JTGFXIBRVUUGOZ-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C[NH3+])cc(C)c1C(F)(F)F ZINC000575726015 384912230 /nfs/dbraw/zinc/91/22/30/384912230.db2.gz KXOQEULLZGNKBN-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C(F)(F)F)cc(C[NH3+])c1C ZINC000575726150 387463507 /nfs/dbraw/zinc/46/35/07/387463507.db2.gz MZBQBVOGDMLTEO-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C)c(C(F)(F)F)cc1C[NH3+] ZINC000575726231 387464241 /nfs/dbraw/zinc/46/42/41/387464241.db2.gz NZGOPMLIKSOWCB-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C[NH3+])c(C(F)(F)F)cc1C ZINC000575726296 384915024 /nfs/dbraw/zinc/91/50/24/384915024.db2.gz OJOJQLIANFTQPV-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C)c(C[NH3+])c(C(F)(F)F)c1 ZINC000575726671 387463713 /nfs/dbraw/zinc/46/37/13/387463713.db2.gz ROSAHKZIVKPXSO-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1c(C(F)(F)F)ccc(C)c1C[NH3+] ZINC000575726803 384913826 /nfs/dbraw/zinc/91/38/26/384913826.db2.gz TZQFDJACXGRYOU-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1cc(C(F)(F)F)cc(C)c1C[NH3+] ZINC000575726840 387463406 /nfs/dbraw/zinc/46/34/06/387463406.db2.gz UGNMRUJRGUMZML-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO CCc1c(C[NH3+])cc(C)cc1C(F)(F)F ZINC000575727376 384914662 /nfs/dbraw/zinc/91/46/62/384914662.db2.gz YSZUWIFJLNTAFG-UHFFFAOYSA-N 1 0 217.234 3.035 10 0 BGAERO Cc1cccc(CC[NH2+]C2(C3CCC3)CCC2)n1 ZINC000577510312 365974277 /nfs/dbraw/zinc/97/42/77/365974277.db2.gz UWRMQVJGGSYUGW-UHFFFAOYSA-N 1 0 244.382 3.245 10 0 BGAERO CCCC[C@H](CC)C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000578348038 366531152 /nfs/dbraw/zinc/53/11/52/366531152.db2.gz CCKLHEOWWVCWSZ-ILXRZTDVSA-N 1 0 240.435 3.181 10 0 BGAERO CCCC[C@H](CC)C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578348040 366530400 /nfs/dbraw/zinc/53/04/00/366530400.db2.gz CCKLHEOWWVCWSZ-QLFBSQMISA-N 1 0 240.435 3.181 10 0 BGAERO CCCC[C@H](CC)C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000578348041 366531076 /nfs/dbraw/zinc/53/10/76/366531076.db2.gz CCKLHEOWWVCWSZ-SOUVJXGZSA-N 1 0 240.435 3.181 10 0 BGAERO CCc1cccc(N[C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000578500518 366581725 /nfs/dbraw/zinc/58/17/25/366581725.db2.gz YVCZLRIMWUELQK-GXTWGEPZSA-N 1 0 232.371 3.049 10 0 BGAERO CCc1cccc(N[C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000578500519 366581414 /nfs/dbraw/zinc/58/14/14/366581414.db2.gz YVCZLRIMWUELQK-JSGCOSHPSA-N 1 0 232.371 3.049 10 0 BGAERO CCc1cccc(N[C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000578500520 366581380 /nfs/dbraw/zinc/58/13/80/366581380.db2.gz YVCZLRIMWUELQK-OCCSQVGLSA-N 1 0 232.371 3.049 10 0 BGAERO CCc1cccc(N[C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000578500521 366581599 /nfs/dbraw/zinc/58/15/99/366581599.db2.gz YVCZLRIMWUELQK-TZMCWYRMSA-N 1 0 232.371 3.049 10 0 BGAERO Cc1cnccc1CC[NH2+]C1(C2CCC2)CCC1 ZINC000581367805 367399080 /nfs/dbraw/zinc/39/90/80/367399080.db2.gz UBRMFQACPGBVCP-UHFFFAOYSA-N 1 0 244.382 3.245 10 0 BGAERO CCc1cnc(C[NH2+]C2(C3CCC3)CCC2)o1 ZINC000582831379 357410584 /nfs/dbraw/zinc/41/05/84/357410584.db2.gz UWMPLURFPCWNDD-UHFFFAOYSA-N 1 0 234.343 3.049 10 0 BGAERO CNc1ccccc1C1=[NH+]CCc2ccccc21 ZINC000584591896 358250210 /nfs/dbraw/zinc/25/02/10/358250210.db2.gz RHIIGLQAZAVTCB-UHFFFAOYSA-N 1 0 236.318 3.122 10 0 BGAERO Cc1ccc(C(C)(C)C)c(C)c1CC(N)=[NH2+] ZINC000584594855 358251913 /nfs/dbraw/zinc/25/19/13/358251913.db2.gz CANHSUQCEQQINJ-UHFFFAOYSA-N 1 0 218.344 3.079 10 0 BGAERO Cc1ccc(Nc2ccccc2C(N)=[NH2+])cc1 ZINC000584594930 358252255 /nfs/dbraw/zinc/25/22/55/358252255.db2.gz FNOJJEBQMFBGLK-UHFFFAOYSA-N 1 0 225.295 3.023 10 0 BGAERO CCC[N@H+](CC)CCc1ccc(F)c(OC)c1 ZINC000584594962 358251800 /nfs/dbraw/zinc/25/18/00/358251800.db2.gz LPJCAUUAFYAJNS-UHFFFAOYSA-N 1 0 239.334 3.109 10 0 BGAERO CCC[C@](CCOCC)(c1ccccc1)[C@@H](C)[NH3+] ZINC000584594972 358252094 /nfs/dbraw/zinc/25/20/94/358252094.db2.gz MIJPPNIFWKIUFF-GDBMZVCRSA-N 1 0 249.398 3.498 10 0 BGAERO CCOc1cc(C[C@@H]([NH3+])CC)ccc1Cl ZINC000584594986 358251848 /nfs/dbraw/zinc/25/18/48/358251848.db2.gz KTSHQRLIEHXPAP-JTQLQIEISA-N 1 0 227.735 3.019 10 0 BGAERO CCOc1cc(C[C@H]([NH3+])CC)ccc1Cl ZINC000584594987 358251843 /nfs/dbraw/zinc/25/18/43/358251843.db2.gz KTSHQRLIEHXPAP-SNVBAGLBSA-N 1 0 227.735 3.019 10 0 BGAERO CCC[C@](CCOCC)(c1ccccc1)[C@H](C)[NH3+] ZINC000584595037 358252236 /nfs/dbraw/zinc/25/22/36/358252236.db2.gz MIJPPNIFWKIUFF-GOEBONIOSA-N 1 0 249.398 3.498 10 0 BGAERO CCC[C@@](CCOCC)(c1ccccc1)[C@H](C)[NH3+] ZINC000584595038 358252182 /nfs/dbraw/zinc/25/21/82/358252182.db2.gz MIJPPNIFWKIUFF-HOCLYGCPSA-N 1 0 249.398 3.498 10 0 BGAERO CCC[C@@](CCOCC)(c1ccccc1)[C@@H](C)[NH3+] ZINC000584595039 358251788 /nfs/dbraw/zinc/25/17/88/358251788.db2.gz MIJPPNIFWKIUFF-ZBFHGGJFSA-N 1 0 249.398 3.498 10 0 BGAERO Cc1ccc(Nc2ccccc2C(=[NH2+])NO)cc1 ZINC000584595055 358252435 /nfs/dbraw/zinc/25/24/35/358252435.db2.gz WVNLSBHRLQDPBV-UHFFFAOYSA-N 1 0 241.294 3.043 10 0 BGAERO NC(=[NH2+])c1cccc(/C=C/c2ccccc2)c1 ZINC000584595079 358252509 /nfs/dbraw/zinc/25/25/09/358252509.db2.gz YZPLVDJARULKIA-MDZDMXLPSA-N 1 0 222.291 3.141 10 0 BGAERO CCCCc1c(C[NH+](C)C)cccc1OC ZINC000584595148 358252825 /nfs/dbraw/zinc/25/28/25/358252825.db2.gz GJVCWVPQPOQEIM-UHFFFAOYSA-N 1 0 221.344 3.099 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc(C2(C)CC2)cc1 ZINC000584595157 358252406 /nfs/dbraw/zinc/25/24/06/358252406.db2.gz HXQZHYQYJWQXBN-CYBMUJFWSA-N 1 0 203.329 3.394 10 0 BGAERO CC1([C@@H]([NH3+])c2ccc(OC(F)F)cc2)CC1 ZINC000584595159 358252402 /nfs/dbraw/zinc/25/24/02/358252402.db2.gz IEHGYRNAXWXNMV-JTQLQIEISA-N 1 0 227.254 3.088 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc(C2CC2)c(F)c1 ZINC000584595181 358252456 /nfs/dbraw/zinc/25/24/56/358252456.db2.gz LNMWXZGEPSIGLO-CYBMUJFWSA-N 1 0 207.292 3.359 10 0 BGAERO C[C@@H]([NH3+])c1cc(F)c(C(F)(F)F)c(F)c1 ZINC000584595204 358252833 /nfs/dbraw/zinc/25/28/33/358252833.db2.gz PPRQSWBMXPKHGE-SCSAIBSYSA-N 1 0 225.160 3.003 10 0 BGAERO CC1([C@@H]([NH3+])c2ccc(C(F)F)cc2)CC1 ZINC000584595206 358252871 /nfs/dbraw/zinc/25/28/71/358252871.db2.gz QCGCMIAXRIUYRG-JTQLQIEISA-N 1 0 211.255 3.424 10 0 BGAERO CC(C)(C)Cc1cccc(C(C)(C)[NH3+])c1 ZINC000584595209 358111747 /nfs/dbraw/zinc/11/17/47/358111747.db2.gz QOHQUPBSORLMGF-UHFFFAOYSA-N 1 0 205.345 3.469 10 0 BGAERO CC1([C@@H]([NH3+])c2ccc(C3CC3)cc2)CC1 ZINC000584595238 358252836 /nfs/dbraw/zinc/25/28/36/358252836.db2.gz SWPSSQRESAINBQ-ZDUSSCGKSA-N 1 0 201.313 3.364 10 0 BGAERO Cc1ccc(C2CC2)c(C[NH2+]C2CC2)c1 ZINC000584595296 358252494 /nfs/dbraw/zinc/25/24/94/358252494.db2.gz AWNZBXLISWXIPB-UHFFFAOYSA-N 1 0 201.313 3.124 10 0 BGAERO CCc1cc(C)c(C)cc1C[NH2+]C1CC1 ZINC000584595325 358252463 /nfs/dbraw/zinc/25/24/63/358252463.db2.gz CUCZOUXPAZSZNR-UHFFFAOYSA-N 1 0 203.329 3.118 10 0 BGAERO CCc1ccc(Cl)cc1C[NH2+]C1CC1 ZINC000584595354 358252459 /nfs/dbraw/zinc/25/24/59/358252459.db2.gz FFPMEALJFZADFX-UHFFFAOYSA-N 1 0 209.720 3.154 10 0 BGAERO [NH3+][C@@H](c1ccc(C2CC2)c(F)c1)C1CC1 ZINC000584595359 358252602 /nfs/dbraw/zinc/25/26/02/358252602.db2.gz FYLGUKKLAOPILF-CYBMUJFWSA-N 1 0 205.276 3.113 10 0 BGAERO Cc1ccc(C[NH2+]C2CC2)c(C2(C)CC2)c1 ZINC000584595363 358252446 /nfs/dbraw/zinc/25/24/46/358252446.db2.gz GKOTYVPIGCTVSR-UHFFFAOYSA-N 1 0 215.340 3.299 10 0 BGAERO CCC1(c2ccccc2C[NH2+]C2CC2)CC1 ZINC000584595381 358252709 /nfs/dbraw/zinc/25/27/09/358252709.db2.gz JYBKYHXKRXVSHN-UHFFFAOYSA-N 1 0 215.340 3.380 10 0 BGAERO Cc1ccc(C2(C)CC2)c(C[NH2+]C2CC2)c1 ZINC000584595388 358252466 /nfs/dbraw/zinc/25/24/66/358252466.db2.gz MCTUATDDWFPRNI-UHFFFAOYSA-N 1 0 215.340 3.299 10 0 BGAERO Cc1ccc(C(F)(F)F)c(C[NH2+]C2CC2)c1 ZINC000584595391 358252495 /nfs/dbraw/zinc/25/24/95/358252495.db2.gz MHOYGXSOIWBQBV-UHFFFAOYSA-N 1 0 229.245 3.266 10 0 BGAERO c1ccc(C[NH2+][C@@H]2C[C@H]2OC2CCCCC2)cc1 ZINC000584595395 358252469 /nfs/dbraw/zinc/25/24/69/358252469.db2.gz NHRYDDLSXIVDSV-HZPDHXFCSA-N 1 0 245.366 3.266 10 0 BGAERO FC(F)C1(c2ccccc2C[NH2+]C2CC2)CC1 ZINC000584595428 358253263 /nfs/dbraw/zinc/25/32/63/358253263.db2.gz QHTKZEUTURCTOU-UHFFFAOYSA-N 1 0 237.293 3.235 10 0 BGAERO CCC[C@@H](C)COc1ccc(CCC[NH3+])cc1 ZINC000584595891 358111884 /nfs/dbraw/zinc/11/18/84/358111884.db2.gz IVAOEVDYYYTRCP-CYBMUJFWSA-N 1 0 235.371 3.393 10 0 BGAERO CCC[C@H](C)COc1ccc(CCC[NH3+])cc1 ZINC000584595892 358253358 /nfs/dbraw/zinc/25/33/58/358253358.db2.gz IVAOEVDYYYTRCP-ZDUSSCGKSA-N 1 0 235.371 3.393 10 0 BGAERO COc1ccc2c(c1)[C@]1(C)CCC[N@@H+](C)C1=CC2 ZINC000584596776 358254395 /nfs/dbraw/zinc/25/43/95/358254395.db2.gz YAMXPYHBARNERG-INIZCTEOSA-N 1 0 243.350 3.119 10 0 BGAERO COc1ccc2c(c1)[C@@]1(C)CCC[N@@H+](C)C1=CC2 ZINC000584596781 358254423 /nfs/dbraw/zinc/25/44/23/358254423.db2.gz YAMXPYHBARNERG-MRXNPFEDSA-N 1 0 243.350 3.119 10 0 BGAERO C[N@@H+]1CCC[C@H]2CCc3ccccc3[C@H]21 ZINC000584597611 358255258 /nfs/dbraw/zinc/25/52/58/358255258.db2.gz KFQXNYZIBDCUGC-JSGCOSHPSA-N 1 0 201.313 3.016 10 0 BGAERO C[N@@H+]1CCC[C@@H]2CCc3ccccc3[C@H]21 ZINC000584597615 358255395 /nfs/dbraw/zinc/25/53/95/358255395.db2.gz KFQXNYZIBDCUGC-OCCSQVGLSA-N 1 0 201.313 3.016 10 0 BGAERO [NH3+][C@H]1[C@@H]2CC[C@@H](C2)[C@H]1CCCc1ccccc1 ZINC000584599583 387501314 /nfs/dbraw/zinc/50/13/14/387501314.db2.gz CQWWKRUKBOLGGD-JJXSEGSLSA-N 1 0 229.367 3.383 10 0 BGAERO [NH3+]Cc1sccc1-c1ccc2ncsc2c1 ZINC000584599611 387501323 /nfs/dbraw/zinc/50/13/23/387501323.db2.gz LCSVOMVTGNXTAH-UHFFFAOYSA-N 1 0 246.360 3.484 10 0 BGAERO [NH3+]C1(Cc2ccc3ccccc3c2)CCC1 ZINC000584600704 358257769 /nfs/dbraw/zinc/25/77/69/358257769.db2.gz XZTBAECMNXOARX-UHFFFAOYSA-N 1 0 211.308 3.264 10 0 BGAERO CCCC[NH2+]C[C@@H]1C(C)(C)C1(Cl)Cl ZINC000584600770 358257725 /nfs/dbraw/zinc/25/77/25/358257725.db2.gz RLUNICJDSYECKX-MRVPVSSYSA-N 1 0 224.175 3.206 10 0 BGAERO CCCC[NH2+]C[C@H]1C(C)(C)C1(Cl)Cl ZINC000584600771 358257780 /nfs/dbraw/zinc/25/77/80/358257780.db2.gz RLUNICJDSYECKX-QMMMGPOBSA-N 1 0 224.175 3.206 10 0 BGAERO CCOP(=O)(OCC)[C@H](C)[NH+]1CCCCC1 ZINC000584601982 358259465 /nfs/dbraw/zinc/25/94/65/358259465.db2.gz FVNSBAGWHZKNDI-LLVKDONJSA-N 1 0 249.291 3.084 10 0 BGAERO CCOP(=O)(OCC)[C@@H](C)[NH+]1CCCCC1 ZINC000584601984 358259585 /nfs/dbraw/zinc/25/95/85/358259585.db2.gz FVNSBAGWHZKNDI-NSHDSACASA-N 1 0 249.291 3.084 10 0 BGAERO [NH3+]C1c2ccccc2[C@@H]2C[C@H]2c2ccccc21 ZINC000584602103 358260158 /nfs/dbraw/zinc/26/01/58/358260158.db2.gz IFENRMFOTZMYKM-GJZGRUSLSA-N 1 0 221.303 3.319 10 0 BGAERO [NH3+]C1c2ccccc2[C@H]2C[C@@H]2c2ccccc21 ZINC000584602104 358259993 /nfs/dbraw/zinc/25/99/93/358259993.db2.gz IFENRMFOTZMYKM-HUUCEWRRSA-N 1 0 221.303 3.319 10 0 BGAERO [NH3+][C@H]1c2ccccc2[C@@H]2C[C@@H]2c2ccccc21 ZINC000584602105 358260035 /nfs/dbraw/zinc/26/00/35/358260035.db2.gz IFENRMFOTZMYKM-MUJYYYPQSA-N 1 0 221.303 3.319 10 0 BGAERO [NH3+][C@H]1c2ccccc2COc2ccc(Cl)cc21 ZINC000584602137 358260030 /nfs/dbraw/zinc/26/00/30/358260030.db2.gz SBFNRLQUBDKZGM-AWEZNQCLSA-N 1 0 245.709 3.281 10 0 BGAERO [NH3+][C@@H]1c2ccccc2COc2ccc(Cl)cc21 ZINC000584602139 358260048 /nfs/dbraw/zinc/26/00/48/358260048.db2.gz SBFNRLQUBDKZGM-CQSZACIVSA-N 1 0 245.709 3.281 10 0 BGAERO C[NH+](C)CCC[C@]1(c2ccccc2)CCCC1=O ZINC000584603459 358261897 /nfs/dbraw/zinc/26/18/97/358261897.db2.gz XPIOLTGPPMPQNI-INIZCTEOSA-N 1 0 245.366 3.019 10 0 BGAERO C[NH+](C)CCC[C@@]1(c2ccccc2)CCCC1=O ZINC000584603460 358261837 /nfs/dbraw/zinc/26/18/37/358261837.db2.gz XPIOLTGPPMPQNI-MRXNPFEDSA-N 1 0 245.366 3.019 10 0 BGAERO CC[C@@H]1Cc2cc(OC)c(C3CC3)cc2C=[NH+]1 ZINC000584605641 358264536 /nfs/dbraw/zinc/26/45/36/358264536.db2.gz GDYCSAMPKGPOFQ-CYBMUJFWSA-N 1 0 229.323 3.326 10 0 BGAERO CC[C@H]1Cc2cc(OC)c(C3CC3)cc2C=[NH+]1 ZINC000584605642 358264793 /nfs/dbraw/zinc/26/47/93/358264793.db2.gz GDYCSAMPKGPOFQ-ZDUSSCGKSA-N 1 0 229.323 3.326 10 0 BGAERO COc1cccc([C@@H]2CC[C@@H]3CCC[N@@H+]3C2)c1 ZINC000584605715 358264737 /nfs/dbraw/zinc/26/47/37/358264737.db2.gz CSTKCZOOUFUUNS-KGLIPLIRSA-N 1 0 231.339 3.037 10 0 BGAERO COc1cccc([C@@H]2CC[C@H]3CCC[N@@H+]3C2)c1 ZINC000584605720 358264824 /nfs/dbraw/zinc/26/48/24/358264824.db2.gz CSTKCZOOUFUUNS-ZIAGYGMSSA-N 1 0 231.339 3.037 10 0 BGAERO COc1cccc([C@H]2CCC[N@@H+]3CCC[C@@H]23)c1 ZINC000584605801 358264810 /nfs/dbraw/zinc/26/48/10/358264810.db2.gz KZDQNBKSLWOBFC-CABCVRRESA-N 1 0 231.339 3.037 10 0 BGAERO COc1cccc([C@H]2CCC[N@@H+]3CCC[C@H]23)c1 ZINC000584605802 358264629 /nfs/dbraw/zinc/26/46/29/358264629.db2.gz KZDQNBKSLWOBFC-HUUCEWRRSA-N 1 0 231.339 3.037 10 0 BGAERO COc1cccc(C2=C3CCC[N@@H+]3CCC2)c1 ZINC000584606070 358265255 /nfs/dbraw/zinc/26/52/55/358265255.db2.gz YISTYRBYZKEITO-UHFFFAOYSA-N 1 0 229.323 3.296 10 0 BGAERO CCc1cc2c(cc1OC)C[C@@H](CC)[NH+]=C2 ZINC000584606143 358265150 /nfs/dbraw/zinc/26/51/50/358265150.db2.gz GXEJCUUYWKNQGW-CYBMUJFWSA-N 1 0 217.312 3.011 10 0 BGAERO CCc1cc2c(cc1OC)C[C@H](CC)[NH+]=C2 ZINC000584606144 358265434 /nfs/dbraw/zinc/26/54/34/358265434.db2.gz GXEJCUUYWKNQGW-ZDUSSCGKSA-N 1 0 217.312 3.011 10 0 BGAERO Cc1nccc2c1cccc2N1CCCC1 ZINC000584606461 358265944 /nfs/dbraw/zinc/26/59/44/358265944.db2.gz VOMUAGLQRQGVNR-UHFFFAOYSA-N 1 0 212.296 3.143 10 0 BGAERO CCCc1cc2c(cc1OC)C=N[C@@H](CC)C2 ZINC000584606493 358265766 /nfs/dbraw/zinc/26/57/66/358265766.db2.gz YXEISBGIWHLHDX-AWEZNQCLSA-N 1 0 231.339 3.401 10 0 BGAERO CCCc1cc2c(cc1OC)C=N[C@H](CC)C2 ZINC000584606494 358266127 /nfs/dbraw/zinc/26/61/27/358266127.db2.gz YXEISBGIWHLHDX-CQSZACIVSA-N 1 0 231.339 3.401 10 0 BGAERO CCC[NH2+][C@@H]1C[C@H]1c1ccc(Cl)cc1 ZINC000584607168 358267356 /nfs/dbraw/zinc/26/73/56/358267356.db2.gz BTQSZABCLJFQKS-NWDGAFQWSA-N 1 0 209.720 3.196 10 0 BGAERO CCC[NH2+][C@H]1C[C@@H]1c1ccc(Cl)cc1 ZINC000584607174 358267161 /nfs/dbraw/zinc/26/71/61/358267161.db2.gz BTQSZABCLJFQKS-NEPJUHHUSA-N 1 0 209.720 3.196 10 0 BGAERO C[NH+](C)C/C=C/c1ccccc1Br ZINC000584609888 358271785 /nfs/dbraw/zinc/27/17/85/358271785.db2.gz MKFNGPXRRDQXNS-FNORWQNLSA-N 1 0 240.144 3.024 10 0 BGAERO C[NH+](C)C/C=C/c1cccc(Br)c1 ZINC000584609917 358272073 /nfs/dbraw/zinc/27/20/73/358272073.db2.gz QRGCTBNXKVYQOP-GQCTYLIASA-N 1 0 240.144 3.024 10 0 BGAERO C[NH+](C)CCCCCN1CCCc2ccccc21 ZINC000584612729 358276280 /nfs/dbraw/zinc/27/62/80/358276280.db2.gz CRHJEDPMRKXTJN-UHFFFAOYSA-N 1 0 246.398 3.171 10 0 BGAERO CC[N@H+](C)CCNc1cccc2ccccc21 ZINC000584614328 358278741 /nfs/dbraw/zinc/27/87/41/358278741.db2.gz BOIUETXOULFFQS-UHFFFAOYSA-N 1 0 228.339 3.203 10 0 BGAERO C[C@H](CNc1cccc2ccccc21)C[NH+](C)C ZINC000584614932 358279322 /nfs/dbraw/zinc/27/93/22/358279322.db2.gz TVRXTMFNIZWGFS-CYBMUJFWSA-N 1 0 242.366 3.449 10 0 BGAERO C[C@@H](CNc1cccc2ccccc21)C[NH+](C)C ZINC000584614933 358279553 /nfs/dbraw/zinc/27/95/53/358279553.db2.gz TVRXTMFNIZWGFS-ZDUSSCGKSA-N 1 0 242.366 3.449 10 0 BGAERO CC(C)[C@H](C[NH+]1CCCC1)C(=O)c1ccccc1 ZINC000584616346 491070078 /nfs/dbraw/zinc/07/00/78/491070078.db2.gz DGLCGDKPAQDXOE-HNNXBMFYSA-N 1 0 245.366 3.237 10 0 BGAERO CC(C)[C@@H](C[NH+]1CCCC1)C(=O)c1ccccc1 ZINC000584616352 398078376 /nfs/dbraw/zinc/07/83/76/398078376.db2.gz DGLCGDKPAQDXOE-OAHLLOKOSA-N 1 0 245.366 3.237 10 0 BGAERO C[C@H]1C[N@H+](C)CCC[C@H]1c1ccccc1 ZINC000584617014 358281509 /nfs/dbraw/zinc/28/15/09/358281509.db2.gz KWIAQBGZFNDKKX-GXTWGEPZSA-N 1 0 203.329 3.132 10 0 BGAERO C[C@H]1C[N@H+](C)CCC[C@@H]1c1ccccc1 ZINC000584617015 358281415 /nfs/dbraw/zinc/28/14/15/358281415.db2.gz KWIAQBGZFNDKKX-JSGCOSHPSA-N 1 0 203.329 3.132 10 0 BGAERO C[C@@H]1C[N@H+](C)CCC[C@@H]1c1ccccc1 ZINC000584617016 358281387 /nfs/dbraw/zinc/28/13/87/358281387.db2.gz KWIAQBGZFNDKKX-OCCSQVGLSA-N 1 0 203.329 3.132 10 0 BGAERO C[C@@H]1C[N@H+](C)CCC[C@H]1c1ccccc1 ZINC000584617017 358281438 /nfs/dbraw/zinc/28/14/38/358281438.db2.gz KWIAQBGZFNDKKX-TZMCWYRMSA-N 1 0 203.329 3.132 10 0 BGAERO CC[C@@]12CC[N@H+](C)C1=CCc1ccc(OC)cc12 ZINC000584617047 358281957 /nfs/dbraw/zinc/28/19/57/358281957.db2.gz PMHSRDCQRIIGIP-INIZCTEOSA-N 1 0 243.350 3.119 10 0 BGAERO CC[C@]12CC[N@H+](C)C1=CCc1ccc(OC)cc12 ZINC000584617048 358281948 /nfs/dbraw/zinc/28/19/48/358281948.db2.gz PMHSRDCQRIIGIP-MRXNPFEDSA-N 1 0 243.350 3.119 10 0 BGAERO C[C@@H]1C[N@H+](C)CCC=C1c1ccccc1 ZINC000584617072 358282347 /nfs/dbraw/zinc/28/23/47/358282347.db2.gz SISQWIYJRGXWTK-GFCCVEGCSA-N 1 0 201.313 3.042 10 0 BGAERO C[C@H]1C[N@H+](C)CCC=C1c1ccccc1 ZINC000584617073 358282211 /nfs/dbraw/zinc/28/22/11/358282211.db2.gz SISQWIYJRGXWTK-LBPRGKRZSA-N 1 0 201.313 3.042 10 0 BGAERO c1ccc(N[C@H]2CCC[N@@H+](CC3CC3)CC2)cc1 ZINC000584617119 358281993 /nfs/dbraw/zinc/28/19/93/358281993.db2.gz YPKLUMVKWQFBAL-INIZCTEOSA-N 1 0 244.382 3.363 10 0 BGAERO c1ccc(N[C@@H]2CCC[N@@H+](CC3CC3)CC2)cc1 ZINC000584617120 358282309 /nfs/dbraw/zinc/28/23/09/358282309.db2.gz YPKLUMVKWQFBAL-MRXNPFEDSA-N 1 0 244.382 3.363 10 0 BGAERO CC[NH+](CC)C[C@H]1Cc2ccccc2[C@H]1C ZINC000584618318 358284225 /nfs/dbraw/zinc/28/42/25/358284225.db2.gz CAOPVOQDLQNNIO-GXTWGEPZSA-N 1 0 217.356 3.304 10 0 BGAERO CC[NH+](CC)C[C@@H]1Cc2ccccc2[C@H]1C ZINC000584618320 358284277 /nfs/dbraw/zinc/28/42/77/358284277.db2.gz CAOPVOQDLQNNIO-JSGCOSHPSA-N 1 0 217.356 3.304 10 0 BGAERO CC[NH+](CC)C[C@@H]1Cc2ccccc2[C@@H]1C ZINC000584618322 358284219 /nfs/dbraw/zinc/28/42/19/358284219.db2.gz CAOPVOQDLQNNIO-OCCSQVGLSA-N 1 0 217.356 3.304 10 0 BGAERO CC[NH+](CC)C[C@H]1Cc2ccccc2[C@@H]1C ZINC000584618323 358284108 /nfs/dbraw/zinc/28/41/08/358284108.db2.gz CAOPVOQDLQNNIO-TZMCWYRMSA-N 1 0 217.356 3.304 10 0 BGAERO CCC[N@H+](C)CCC1Cc2ccccc2C1 ZINC000584618383 358284235 /nfs/dbraw/zinc/28/42/35/358284235.db2.gz FAPSKYQIEFUQRZ-UHFFFAOYSA-N 1 0 217.356 3.133 10 0 BGAERO C[C@@H]1C[C@@H]2CCC(Cl)=C3C=CC(=C32)C[NH2+]1 ZINC000584618435 358284177 /nfs/dbraw/zinc/28/41/77/358284177.db2.gz HFCRPGYUYVGYSW-BDAKNGLRSA-N 1 0 221.731 3.138 10 0 BGAERO C[C@H]1C[C@H]2CCC(Cl)=C3C=CC(=C32)C[NH2+]1 ZINC000584618440 358284356 /nfs/dbraw/zinc/28/43/56/358284356.db2.gz HFCRPGYUYVGYSW-DTWKUNHWSA-N 1 0 221.731 3.138 10 0 BGAERO C[C@H]1C[C@@H]2CCC(Cl)=C3C=CC(=C32)C[NH2+]1 ZINC000584618442 358284087 /nfs/dbraw/zinc/28/40/87/358284087.db2.gz HFCRPGYUYVGYSW-IUCAKERBSA-N 1 0 221.731 3.138 10 0 BGAERO C[C@@H]1C[C@H]2CCC(Cl)=C3C=CC(=C32)C[NH2+]1 ZINC000584618444 358284230 /nfs/dbraw/zinc/28/42/30/358284230.db2.gz HFCRPGYUYVGYSW-RKDXNWHRSA-N 1 0 221.731 3.138 10 0 BGAERO CCCC[NH2+]CCC1Cc2ccccc2C1 ZINC000584618466 358284479 /nfs/dbraw/zinc/28/44/79/358284479.db2.gz ITDLZGHJZGKVKQ-UHFFFAOYSA-N 1 0 217.356 3.181 10 0 BGAERO CCC[N@H+](C)CC[C@@H]1CCc2ccccc21 ZINC000584618593 358284670 /nfs/dbraw/zinc/28/46/70/358284670.db2.gz PHYLKOGNBIUSDD-AWEZNQCLSA-N 1 0 217.356 3.448 10 0 BGAERO CCC[N@H+](C)CC[C@H]1CCc2ccccc21 ZINC000584618594 358284768 /nfs/dbraw/zinc/28/47/68/358284768.db2.gz PHYLKOGNBIUSDD-CQSZACIVSA-N 1 0 217.356 3.448 10 0 BGAERO CCC[N@H+](C)C[C@H]1Cc2ccccc2[C@H]1C ZINC000584618676 358284900 /nfs/dbraw/zinc/28/49/00/358284900.db2.gz ORJLUTYZROFIBO-GXTWGEPZSA-N 1 0 217.356 3.304 10 0 BGAERO CCC[N@H+](C)C[C@@H]1Cc2ccccc2[C@H]1C ZINC000584618677 358284892 /nfs/dbraw/zinc/28/48/92/358284892.db2.gz ORJLUTYZROFIBO-JSGCOSHPSA-N 1 0 217.356 3.304 10 0 BGAERO CCC[N@H+](C)C[C@@H]1Cc2ccccc2[C@@H]1C ZINC000584618678 358284956 /nfs/dbraw/zinc/28/49/56/358284956.db2.gz ORJLUTYZROFIBO-OCCSQVGLSA-N 1 0 217.356 3.304 10 0 BGAERO CCC[N@H+](C)C[C@H]1Cc2ccccc2[C@@H]1C ZINC000584618679 358284719 /nfs/dbraw/zinc/28/47/19/358284719.db2.gz ORJLUTYZROFIBO-TZMCWYRMSA-N 1 0 217.356 3.304 10 0 BGAERO CC[NH+](CC)CCC1=CCc2cc(OC)ccc21 ZINC000584618712 358284937 /nfs/dbraw/zinc/28/49/37/358284937.db2.gz RKJCINPOVMRJCQ-UHFFFAOYSA-N 1 0 245.366 3.367 10 0 BGAERO CC[NH+](CC)CCC1Cc2ccccc2C1 ZINC000584618733 358285023 /nfs/dbraw/zinc/28/50/23/358285023.db2.gz TZCPSQZWDWSONQ-UHFFFAOYSA-N 1 0 217.356 3.133 10 0 BGAERO CC[NH+](CC)CC[C@@H]1CCc2ccccc21 ZINC000584618875 358284832 /nfs/dbraw/zinc/28/48/32/358284832.db2.gz ZAJBJICTTVNLKO-AWEZNQCLSA-N 1 0 217.356 3.448 10 0 BGAERO CC[NH+](CC)CC[C@H]1CCc2ccccc21 ZINC000584618877 358284993 /nfs/dbraw/zinc/28/49/93/358284993.db2.gz ZAJBJICTTVNLKO-CQSZACIVSA-N 1 0 217.356 3.448 10 0 BGAERO CCCc1[nH]c2ccc(C)cc2c1C[NH+](C)C ZINC000584618962 358285246 /nfs/dbraw/zinc/28/52/46/358285246.db2.gz JVBITGDYXFOQFJ-UHFFFAOYSA-N 1 0 230.355 3.490 10 0 BGAERO COc1ccc([C@]23C[N@H+](C)C[C@H]2CCCC3)cc1 ZINC000584619187 358285665 /nfs/dbraw/zinc/28/56/65/358285665.db2.gz GVWVNROHWPGGAQ-ZBFHGGJFSA-N 1 0 245.366 3.069 10 0 BGAERO COc1cccc([C@]23C[N@H+](C)C[C@H]2CCCC3)c1 ZINC000584619399 358285602 /nfs/dbraw/zinc/28/56/02/358285602.db2.gz NBIXVIPZQQXWBM-ZBFHGGJFSA-N 1 0 245.366 3.069 10 0 BGAERO CSc1ccc2[nH]c3c(c2c1)C[C@@H](C)[NH2+][C@H]3C ZINC000584619607 358286058 /nfs/dbraw/zinc/28/60/58/358286058.db2.gz HXKWUSWJDWAUEK-BDAKNGLRSA-N 1 0 246.379 3.485 10 0 BGAERO CSc1ccc2[nH]c3c(c2c1)C[C@H](C)[NH2+][C@@H]3C ZINC000584619611 358286373 /nfs/dbraw/zinc/28/63/73/358286373.db2.gz HXKWUSWJDWAUEK-DTWKUNHWSA-N 1 0 246.379 3.485 10 0 BGAERO CSc1ccc2[nH]c3c(c2c1)C[C@H](C)[NH2+][C@H]3C ZINC000584619612 358285986 /nfs/dbraw/zinc/28/59/86/358285986.db2.gz HXKWUSWJDWAUEK-IUCAKERBSA-N 1 0 246.379 3.485 10 0 BGAERO CSc1ccc2[nH]c3c(c2c1)C[C@@H](C)[NH2+][C@@H]3C ZINC000584619613 358286086 /nfs/dbraw/zinc/28/60/86/358286086.db2.gz HXKWUSWJDWAUEK-RKDXNWHRSA-N 1 0 246.379 3.485 10 0 BGAERO CSc1ccc2[nH]c3c(c2c1)CC[NH2+][C@@H]3C ZINC000584619948 358286902 /nfs/dbraw/zinc/28/69/02/358286902.db2.gz WSCQTYDHDWRHSX-MRVPVSSYSA-N 1 0 232.352 3.097 10 0 BGAERO CSc1ccc2[nH]c3c(c2c1)CC[NH2+][C@H]3C ZINC000584619955 358286790 /nfs/dbraw/zinc/28/67/90/358286790.db2.gz WSCQTYDHDWRHSX-QMMMGPOBSA-N 1 0 232.352 3.097 10 0 BGAERO CCCCCCn1ccc2c[nH+]c(CO)cc21 ZINC000584620218 358286860 /nfs/dbraw/zinc/28/68/60/358286860.db2.gz UEBLGVLMVPYMGY-UHFFFAOYSA-N 1 0 232.327 3.109 10 0 BGAERO COc1ccc2c(c1)[C@@H](CC[NH+](C)C)CCC2 ZINC000584620486 358287675 /nfs/dbraw/zinc/28/76/75/358287675.db2.gz LBYAOHPIRPHMRR-CYBMUJFWSA-N 1 0 233.355 3.067 10 0 BGAERO COc1ccc2c(c1)[C@H](CC[NH+](C)C)CCC2 ZINC000584620487 358287303 /nfs/dbraw/zinc/28/73/03/358287303.db2.gz LBYAOHPIRPHMRR-ZDUSSCGKSA-N 1 0 233.355 3.067 10 0 BGAERO CC1(C)N(O)c2ccc(C(F)(F)F)cc2[N+]1=O ZINC000584622571 358290482 /nfs/dbraw/zinc/29/04/82/358290482.db2.gz CYNHXWHCIMKCOT-UHFFFAOYSA-N 1 0 247.196 3.061 10 0 BGAERO CCCC[C@@]12CC[NH2+][C@@H](Cc3ccccc31)C2 ZINC000584624260 358292540 /nfs/dbraw/zinc/29/25/40/358292540.db2.gz MRPMMELNNDIGJI-HOCLYGCPSA-N 1 0 229.367 3.423 10 0 BGAERO CC(C)(C)[C@@]12CC[NH2+][C@@H](Cc3ccccc31)C2 ZINC000584624341 358292575 /nfs/dbraw/zinc/29/25/75/358292575.db2.gz XLNGIUQULYSRHZ-XJKSGUPXSA-N 1 0 229.367 3.279 10 0 BGAERO COc1cccc([C@@]23CCC[C@@H](C2)[N@H+](C)CC3)c1 ZINC000584624960 358293698 /nfs/dbraw/zinc/29/36/98/358293698.db2.gz SEEKGCQNVXEEPO-GOEBONIOSA-N 1 0 245.366 3.211 10 0 BGAERO COc1ccccc1C1=CC[C@@H]2CCCC[N@@H+]2C1 ZINC000584625116 358293854 /nfs/dbraw/zinc/29/38/54/358293854.db2.gz FECCVXRORVMKLV-AWEZNQCLSA-N 1 0 243.350 3.337 10 0 BGAERO COc1ccccc1C1=CC[C@H]2CCCC[N@@H+]2C1 ZINC000584625117 358293838 /nfs/dbraw/zinc/29/38/38/358293838.db2.gz FECCVXRORVMKLV-CQSZACIVSA-N 1 0 243.350 3.337 10 0 BGAERO C[NH+](C)[C@H](Cc1ccccc1)c1ccco1 ZINC000584625176 358293425 /nfs/dbraw/zinc/29/34/25/358293425.db2.gz BUANMVLIDGRXRN-CYBMUJFWSA-N 1 0 215.296 3.125 10 0 BGAERO C[NH+](C)[C@@H](Cc1ccccc1)c1ccco1 ZINC000584625177 358293732 /nfs/dbraw/zinc/29/37/32/358293732.db2.gz BUANMVLIDGRXRN-ZDUSSCGKSA-N 1 0 215.296 3.125 10 0 BGAERO c1coc([C@H](Cc2ccccc2)[NH2+]C2CC2)c1 ZINC000584625272 358294358 /nfs/dbraw/zinc/29/43/58/358294358.db2.gz IRZHJNRYWBSPGG-AWEZNQCLSA-N 1 0 227.307 3.315 10 0 BGAERO c1coc([C@@H](Cc2ccccc2)[NH2+]C2CC2)c1 ZINC000584625276 358294435 /nfs/dbraw/zinc/29/44/35/358294435.db2.gz IRZHJNRYWBSPGG-CQSZACIVSA-N 1 0 227.307 3.315 10 0 BGAERO COc1cccc([C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000584625387 358294200 /nfs/dbraw/zinc/29/42/00/358294200.db2.gz LRIPAASCRBVRPK-CVEARBPZSA-N 1 0 245.366 3.427 10 0 BGAERO CCC(=[NH2+])C1(c2ccccc2)CCOCC1 ZINC000584625522 358294273 /nfs/dbraw/zinc/29/42/73/358294273.db2.gz MNFJMWIGXVWIKO-UHFFFAOYSA-N 1 0 217.312 3.165 10 0 BGAERO COc1ccc(C2=CC[C@@H]3CCCC[N@@H+]3C2)cc1 ZINC000584625905 358294823 /nfs/dbraw/zinc/29/48/23/358294823.db2.gz ZVAXUBXALGJKDT-HNNXBMFYSA-N 1 0 243.350 3.337 10 0 BGAERO COc1ccc(C2=CC[C@H]3CCCC[N@@H+]3C2)cc1 ZINC000584625906 358294783 /nfs/dbraw/zinc/29/47/83/358294783.db2.gz ZVAXUBXALGJKDT-OAHLLOKOSA-N 1 0 243.350 3.337 10 0 BGAERO CCC[NH2+][C@H]1CCc2c(OC)cccc2C1(C)C ZINC000584626004 358295282 /nfs/dbraw/zinc/29/52/82/358295282.db2.gz AUCPPCYNCRJLDY-HNNXBMFYSA-N 1 0 247.382 3.287 10 0 BGAERO CCC[NH2+][C@@H]1CCc2c(OC)cccc2C1(C)C ZINC000584626006 398079478 /nfs/dbraw/zinc/07/94/78/398079478.db2.gz AUCPPCYNCRJLDY-OAHLLOKOSA-N 1 0 247.382 3.287 10 0 BGAERO CCC[C@@H](Cc1ccccc1)N1CCCC1=[NH2+] ZINC000584629576 358299119 /nfs/dbraw/zinc/29/91/19/358299119.db2.gz ZTOQLGSOWXEQRN-AWEZNQCLSA-N 1 0 230.355 3.471 10 0 BGAERO CCC[C@H](Cc1ccccc1)N1CCCC1=[NH2+] ZINC000584629579 358298988 /nfs/dbraw/zinc/29/89/88/358298988.db2.gz ZTOQLGSOWXEQRN-CQSZACIVSA-N 1 0 230.355 3.471 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])c1cc(Cl)cc(C)n1 ZINC000584629765 358298973 /nfs/dbraw/zinc/29/89/73/358298973.db2.gz RBNFAAKFORZMQG-CPCISQLKSA-N 1 0 212.724 3.089 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])c1cc(Cl)cc(C)n1 ZINC000584629766 358299054 /nfs/dbraw/zinc/29/90/54/358299054.db2.gz RBNFAAKFORZMQG-HQJQHLMTSA-N 1 0 212.724 3.089 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])c1cc(Cl)cc(C)n1 ZINC000584629767 358298961 /nfs/dbraw/zinc/29/89/61/358298961.db2.gz RBNFAAKFORZMQG-RDDDGLTNSA-N 1 0 212.724 3.089 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])c1cc(Cl)cc(C)n1 ZINC000584629768 358299191 /nfs/dbraw/zinc/29/91/91/358299191.db2.gz RBNFAAKFORZMQG-WRWORJQWSA-N 1 0 212.724 3.089 10 0 BGAERO CC[NH+](CC)CC[C@@H]1CCc2cc(C)ccc2N1 ZINC000584629968 358299067 /nfs/dbraw/zinc/29/90/67/358299067.db2.gz CRYIDNRNSOPCMS-HNNXBMFYSA-N 1 0 246.398 3.454 10 0 BGAERO CC[NH+](CC)CC[C@H]1CCc2cc(C)ccc2N1 ZINC000584629973 358298996 /nfs/dbraw/zinc/29/89/96/358298996.db2.gz CRYIDNRNSOPCMS-OAHLLOKOSA-N 1 0 246.398 3.454 10 0 BGAERO Cc1cc(Cl)cc([C@H]([NH3+])C2CCCC2)n1 ZINC000584630094 358299480 /nfs/dbraw/zinc/29/94/80/358299480.db2.gz WORIIHKTWJIKPX-GFCCVEGCSA-N 1 0 224.735 3.233 10 0 BGAERO Cc1cc(Cl)cc([C@@H]([NH3+])C2CCCC2)n1 ZINC000584630113 358299668 /nfs/dbraw/zinc/29/96/68/358299668.db2.gz WORIIHKTWJIKPX-LBPRGKRZSA-N 1 0 224.735 3.233 10 0 BGAERO CC[NH+](CC)C[C@@H]1CCc2cc(C)ccc2N1C ZINC000584630150 358299750 /nfs/dbraw/zinc/29/97/50/358299750.db2.gz KGDRPWXTGOWZBC-HNNXBMFYSA-N 1 0 246.398 3.088 10 0 BGAERO CC[NH+](CC)C[C@H]1CCc2cc(C)ccc2N1C ZINC000584630153 358299709 /nfs/dbraw/zinc/29/97/09/358299709.db2.gz KGDRPWXTGOWZBC-OAHLLOKOSA-N 1 0 246.398 3.088 10 0 BGAERO CC[NH+](CC)CCc1ccc2cc(C)ccc2n1 ZINC000584630180 358299634 /nfs/dbraw/zinc/29/96/34/358299634.db2.gz MRVOTHDOJLPSSK-UHFFFAOYSA-N 1 0 242.366 3.428 10 0 BGAERO Cc1ccc(C[N@@H+]2CC[C@]3(CCSC3)C2)cc1 ZINC000584630209 358299736 /nfs/dbraw/zinc/29/97/36/358299736.db2.gz OHGZMKMBTWWVQR-HNNXBMFYSA-N 1 0 247.407 3.324 10 0 BGAERO Cc1ccc(C[N@@H+]2CC[C@@]3(CCSC3)C2)cc1 ZINC000584630210 358299446 /nfs/dbraw/zinc/29/94/46/358299446.db2.gz OHGZMKMBTWWVQR-OAHLLOKOSA-N 1 0 247.407 3.324 10 0 BGAERO O=[N+](Nc1ccsc1)c1ccsc1 ZINC000584630765 358301348 /nfs/dbraw/zinc/30/13/48/358301348.db2.gz UGQSAKAKFJMWBW-UHFFFAOYSA-N 1 0 211.291 3.247 10 0 BGAERO C[NH+](C)CC/C=C\c1ccc2ncccc2c1 ZINC000584631380 358294792 /nfs/dbraw/zinc/29/47/92/358294792.db2.gz RGTCZVJKSDHJSP-UTCJRWHESA-N 1 0 226.323 3.200 10 0 BGAERO C[NH+](C)CC/C=C/c1ccc2ncccc2c1 ZINC000584631385 358294782 /nfs/dbraw/zinc/29/47/82/358294782.db2.gz RGTCZVJKSDHJSP-ZZXKWVIFSA-N 1 0 226.323 3.200 10 0 BGAERO CC(C)C[N@@H+]1CC(C)(C)C[C@@](C)(F)C1 ZINC000584632098 358314875 /nfs/dbraw/zinc/31/48/75/358314875.db2.gz HKLFAHLLPDNGGZ-GFCCVEGCSA-N 1 0 201.329 3.103 10 0 BGAERO CC(C)C[N@@H+]1CC(C)(C)C[C@](C)(F)C1 ZINC000584632106 358314785 /nfs/dbraw/zinc/31/47/85/358314785.db2.gz HKLFAHLLPDNGGZ-LBPRGKRZSA-N 1 0 201.329 3.103 10 0 BGAERO [NH3+]C[C@@H]1CCc2c3cccc(F)c3sc2C1 ZINC000584632500 358315423 /nfs/dbraw/zinc/31/54/23/358315423.db2.gz VPWSXQOIXVHUSQ-MRVPVSSYSA-N 1 0 235.327 3.104 10 0 BGAERO [NH3+]C[C@H]1CCc2c3cccc(F)c3sc2C1 ZINC000584632507 358315471 /nfs/dbraw/zinc/31/54/71/358315471.db2.gz VPWSXQOIXVHUSQ-QMMMGPOBSA-N 1 0 235.327 3.104 10 0 BGAERO CC[C@](O)(c1ccccc1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000584633632 358317989 /nfs/dbraw/zinc/31/79/89/358317989.db2.gz DILNMKHMMIDPBP-CVEARBPZSA-N 1 0 247.382 3.015 10 0 BGAERO CC[C@](O)(c1ccccc1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000584633636 358317744 /nfs/dbraw/zinc/31/77/44/358317744.db2.gz DILNMKHMMIDPBP-HOTGVXAUSA-N 1 0 247.382 3.015 10 0 BGAERO CC[C@@](O)(c1ccccc1)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000584633637 358317961 /nfs/dbraw/zinc/31/79/61/358317961.db2.gz DILNMKHMMIDPBP-HZPDHXFCSA-N 1 0 247.382 3.015 10 0 BGAERO CC[C@@](O)(c1ccccc1)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000584633638 358317680 /nfs/dbraw/zinc/31/76/80/358317680.db2.gz DILNMKHMMIDPBP-JKSUJKDBSA-N 1 0 247.382 3.015 10 0 BGAERO c1ccc2c(c1)CN1CCCC[C@H]1S2 ZINC000584637633 358323486 /nfs/dbraw/zinc/32/34/86/358323486.db2.gz QZXYDSGAVPZDOU-GFCCVEGCSA-N 1 0 205.326 3.104 10 0 BGAERO c1ccc2c(c1)CN1CCCC[C@@H]1S2 ZINC000584637634 358323629 /nfs/dbraw/zinc/32/36/29/358323629.db2.gz QZXYDSGAVPZDOU-LBPRGKRZSA-N 1 0 205.326 3.104 10 0 BGAERO C[C@@]12[NH2+][C@@H](Cc3ccccc31)c1ccc(F)cc12 ZINC000584638147 358323315 /nfs/dbraw/zinc/32/33/15/358323315.db2.gz UFYMQCRXXAAIBP-JKSUJKDBSA-N 1 0 239.293 3.290 10 0 BGAERO Fc1cc2c(cc1Cl)nc1ccccn12 ZINC000584640185 358326289 /nfs/dbraw/zinc/32/62/89/358326289.db2.gz NQVQTQAOFIPWJE-UHFFFAOYSA-N 1 0 220.634 3.280 10 0 BGAERO C[NH2+]CC1=CC2c3ccccc3C1c1ccccc12 ZINC000584640816 411172810 /nfs/dbraw/zinc/17/28/10/411172810.db2.gz WOYMOOQIVXRRND-UHFFFAOYSA-N 1 0 247.341 3.423 10 0 BGAERO Cc1[nH]c(N)[nH+]c1-c1cccc(Cl)c1Cl ZINC000584644532 358329189 /nfs/dbraw/zinc/32/91/89/358329189.db2.gz YIFNAPNSSPHIBF-UHFFFAOYSA-N 1 0 242.109 3.104 10 0 BGAERO C[C@H]([NH3+])[C@H]1CC[C@@H](Oc2ccc(F)cc2)CC1 ZINC000584645425 387507770 /nfs/dbraw/zinc/50/77/70/387507770.db2.gz XJCJJQBLPISCNZ-GMXVVIOVSA-N 1 0 237.318 3.111 10 0 BGAERO Cc1ccc(/C=C/C2=CC[N@H+](C)CC2)cc1 ZINC000584646993 358331642 /nfs/dbraw/zinc/33/16/42/358331642.db2.gz MHKLGEYQFQFVIS-BQYQJAHWSA-N 1 0 213.324 3.270 10 0 BGAERO c1ccc2c(c1)CCCC[C@H]2[C@@H]1CCC[NH2+]1 ZINC000584647824 398080810 /nfs/dbraw/zinc/08/08/10/398080810.db2.gz JFIMJIFFXIOBMV-CABCVRRESA-N 1 0 215.340 3.249 10 0 BGAERO c1ccc2c(c1)CCCC[C@@H]2[C@@H]1CCC[NH2+]1 ZINC000584647825 398080844 /nfs/dbraw/zinc/08/08/44/398080844.db2.gz JFIMJIFFXIOBMV-GJZGRUSLSA-N 1 0 215.340 3.249 10 0 BGAERO c1ccc2c(c1)CCCC[C@H]2[C@H]1CCC[NH2+]1 ZINC000584647826 398080786 /nfs/dbraw/zinc/08/07/86/398080786.db2.gz JFIMJIFFXIOBMV-HUUCEWRRSA-N 1 0 215.340 3.249 10 0 BGAERO c1ccc2c(c1)CCCC[C@@H]2[C@H]1CCC[NH2+]1 ZINC000584647827 398080715 /nfs/dbraw/zinc/08/07/15/398080715.db2.gz JFIMJIFFXIOBMV-LSDHHAIUSA-N 1 0 215.340 3.249 10 0 BGAERO c1ccc(C2CCCC2)c(OC[C@@H]2CC[NH2+]C2)c1 ZINC000584648707 358303386 /nfs/dbraw/zinc/30/33/86/358303386.db2.gz RZEFHNXWGQDKAB-CYBMUJFWSA-N 1 0 245.366 3.333 10 0 BGAERO c1ccc(C2CCCC2)c(OC[C@H]2CC[NH2+]C2)c1 ZINC000584648784 358303524 /nfs/dbraw/zinc/30/35/24/358303524.db2.gz RZEFHNXWGQDKAB-ZDUSSCGKSA-N 1 0 245.366 3.333 10 0 BGAERO CCCC[C@]1(c2cccc(OC)c2)CC[NH2+]C1 ZINC000584649299 358304158 /nfs/dbraw/zinc/30/41/58/358304158.db2.gz MGCFDXFGBRGYED-HNNXBMFYSA-N 1 0 233.355 3.117 10 0 BGAERO CCCC[C@@]1(c2cccc(OC)c2)CC[NH2+]C1 ZINC000584649301 358304244 /nfs/dbraw/zinc/30/42/44/358304244.db2.gz MGCFDXFGBRGYED-OAHLLOKOSA-N 1 0 233.355 3.117 10 0 BGAERO CC[C@H](C)C[C@@]1(c2cccc(OC)c2)CC[NH2+]C1 ZINC000584650122 490177751 /nfs/dbraw/zinc/17/77/51/490177751.db2.gz DZDDTGHEWCSTBZ-BBRMVZONSA-N 1 0 247.382 3.363 10 0 BGAERO CC[C@@H](C)C[C@@]1(c2cccc(OC)c2)CC[NH2+]C1 ZINC000584650123 490177896 /nfs/dbraw/zinc/17/78/96/490177896.db2.gz DZDDTGHEWCSTBZ-CJNGLKHVSA-N 1 0 247.382 3.363 10 0 BGAERO CC[C@@H](C)C[C@]1(c2cccc(OC)c2)CC[NH2+]C1 ZINC000584650124 490177955 /nfs/dbraw/zinc/17/79/55/490177955.db2.gz DZDDTGHEWCSTBZ-CZUORRHYSA-N 1 0 247.382 3.363 10 0 BGAERO CC[C@H](C)C[C@]1(c2cccc(OC)c2)CC[NH2+]C1 ZINC000584650125 490177904 /nfs/dbraw/zinc/17/79/04/490177904.db2.gz DZDDTGHEWCSTBZ-XJKSGUPXSA-N 1 0 247.382 3.363 10 0 BGAERO CC[C@]1(c2cccc(O)c2)CC[N@H+](CC2CC2)C1 ZINC000584650152 490177838 /nfs/dbraw/zinc/17/78/38/490177838.db2.gz HVXAOCHZZSULRB-INIZCTEOSA-N 1 0 245.366 3.156 10 0 BGAERO CC[C@@]1(c2cccc(O)c2)CC[N@H+](CC2CC2)C1 ZINC000584650153 490177773 /nfs/dbraw/zinc/17/77/73/490177773.db2.gz HVXAOCHZZSULRB-MRXNPFEDSA-N 1 0 245.366 3.156 10 0 BGAERO CCC[C@]1(c2cccc(OCC)c2)CC[NH2+]C1 ZINC000584650203 488020061 /nfs/dbraw/zinc/02/00/61/488020061.db2.gz OLZYBZULWZDERD-HNNXBMFYSA-N 1 0 233.355 3.117 10 0 BGAERO CCC[C@@]1(c2cccc(OCC)c2)CC[NH2+]C1 ZINC000584650204 488020094 /nfs/dbraw/zinc/02/00/94/488020094.db2.gz OLZYBZULWZDERD-OAHLLOKOSA-N 1 0 233.355 3.117 10 0 BGAERO COc1cccc([C@]2(CC(C)(C)C)CC[NH2+]C2)c1 ZINC000584650239 488020083 /nfs/dbraw/zinc/02/00/83/488020083.db2.gz UOFLJRKCJGXWJF-INIZCTEOSA-N 1 0 247.382 3.363 10 0 BGAERO COc1cccc([C@@]2(CC(C)(C)C)CC[NH2+]C2)c1 ZINC000584650240 488020119 /nfs/dbraw/zinc/02/01/19/488020119.db2.gz UOFLJRKCJGXWJF-MRXNPFEDSA-N 1 0 247.382 3.363 10 0 BGAERO COc1cccc([C@@]2(CCC(C)C)CC[NH2+]C2)c1 ZINC000584650278 488020247 /nfs/dbraw/zinc/02/02/47/488020247.db2.gz ZANVZACGASIUOX-INIZCTEOSA-N 1 0 247.382 3.363 10 0 BGAERO COc1cccc([C@]2(CCC(C)C)CC[NH2+]C2)c1 ZINC000584650279 488020241 /nfs/dbraw/zinc/02/02/41/488020241.db2.gz ZANVZACGASIUOX-MRXNPFEDSA-N 1 0 247.382 3.363 10 0 BGAERO COc1cccc([C@]2(CC(C)C)CC[N@H+](C)C2)c1 ZINC000584650374 358305001 /nfs/dbraw/zinc/30/50/01/358305001.db2.gz CONHUFVZDIKYJL-INIZCTEOSA-N 1 0 247.382 3.315 10 0 BGAERO COc1cccc([C@@]2(CC(C)C)CC[N@H+](C)C2)c1 ZINC000584650375 358305044 /nfs/dbraw/zinc/30/50/44/358305044.db2.gz CONHUFVZDIKYJL-MRXNPFEDSA-N 1 0 247.382 3.315 10 0 BGAERO CC[C@H](C)[C@]1(c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000584650586 358304980 /nfs/dbraw/zinc/30/49/80/358304980.db2.gz VQVPHXNUROIDNE-BBRMVZONSA-N 1 0 247.382 3.315 10 0 BGAERO CC[C@@H](C)[C@]1(c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000584650587 358305029 /nfs/dbraw/zinc/30/50/29/358305029.db2.gz VQVPHXNUROIDNE-CJNGLKHVSA-N 1 0 247.382 3.315 10 0 BGAERO CC[C@@H](C)[C@@]1(c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000584650588 358304965 /nfs/dbraw/zinc/30/49/65/358304965.db2.gz VQVPHXNUROIDNE-CZUORRHYSA-N 1 0 247.382 3.315 10 0 BGAERO CC[C@H](C)[C@@]1(c2cccc(OC)c2)CC[N@H+](C)C1 ZINC000584650589 358305039 /nfs/dbraw/zinc/30/50/39/358305039.db2.gz VQVPHXNUROIDNE-XJKSGUPXSA-N 1 0 247.382 3.315 10 0 BGAERO CCC[C@]1(c2cccc(O)c2)CC[N@@H+](C2CC2)C1 ZINC000584650665 358304996 /nfs/dbraw/zinc/30/49/96/358304996.db2.gz DZLHLDBHPKHUSA-INIZCTEOSA-N 1 0 245.366 3.298 10 0 BGAERO CCC[C@@]1(c2cccc(O)c2)CC[N@@H+](C2CC2)C1 ZINC000584650666 358305097 /nfs/dbraw/zinc/30/50/97/358305097.db2.gz DZLHLDBHPKHUSA-MRXNPFEDSA-N 1 0 245.366 3.298 10 0 BGAERO CC1=C(c2ccc(Cl)cc2)CC[N@@H+](C)C1 ZINC000584650887 358305684 /nfs/dbraw/zinc/30/56/84/358305684.db2.gz CXVGCFZKVGOIAE-UHFFFAOYSA-N 1 0 221.731 3.449 10 0 BGAERO COc1ccc([C@@]2(C)CCC[NH+]=C2C)cc1 ZINC000584650950 358305886 /nfs/dbraw/zinc/30/58/86/358305886.db2.gz WEBXOOLAVNZZGO-AWEZNQCLSA-N 1 0 217.312 3.208 10 0 BGAERO COc1ccc([C@]2(C)CCC[NH+]=C2C)cc1 ZINC000584650962 358305627 /nfs/dbraw/zinc/30/56/27/358305627.db2.gz WEBXOOLAVNZZGO-CQSZACIVSA-N 1 0 217.312 3.208 10 0 BGAERO CCC[C@]1(c2cccc(OC)c2)C[NH2+]CC[C@@H]1C ZINC000584651632 358306111 /nfs/dbraw/zinc/30/61/11/358306111.db2.gz KPKOGGSFWNWMFU-BBRMVZONSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[C@]1(c2cccc(OC)c2)C[NH2+]CC[C@H]1C ZINC000584651633 358306262 /nfs/dbraw/zinc/30/62/62/358306262.db2.gz KPKOGGSFWNWMFU-CJNGLKHVSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[C@@]1(c2cccc(OC)c2)C[NH2+]CC[C@H]1C ZINC000584651634 358306213 /nfs/dbraw/zinc/30/62/13/358306213.db2.gz KPKOGGSFWNWMFU-CZUORRHYSA-N 1 0 247.382 3.363 10 0 BGAERO CCC[C@@]1(c2cccc(OC)c2)C[NH2+]CC[C@@H]1C ZINC000584651635 358306496 /nfs/dbraw/zinc/30/64/96/358306496.db2.gz KPKOGGSFWNWMFU-XJKSGUPXSA-N 1 0 247.382 3.363 10 0 BGAERO C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CC(=O)C1CCCCC1)C2 ZINC000584652111 358306965 /nfs/dbraw/zinc/30/69/65/358306965.db2.gz AANBDDNFKIAXSP-YOWGUQMCSA-N 1 0 249.398 3.399 10 0 BGAERO Cc1ccc2c(c1)CC[C@H]([N@H+]1CCC[C@H]1C)C2 ZINC000584652121 358306973 /nfs/dbraw/zinc/30/69/73/358306973.db2.gz JKQYBACECGCDLM-CJNGLKHVSA-N 1 0 229.367 3.337 10 0 BGAERO C[N@@H+]1CC[C@@]2(C1)CC[C@@H]1CCCC[C@H]1C2 ZINC000584652429 358307687 /nfs/dbraw/zinc/30/76/87/358307687.db2.gz LVIKJFCNWPAAHR-IHRRRGAJSA-N 1 0 207.361 3.299 10 0 BGAERO C[N@@H+]1CC[C@@]2(C1)CC[C@H]1CCCC[C@@H]1C2 ZINC000584652440 358307629 /nfs/dbraw/zinc/30/76/29/358307629.db2.gz LVIKJFCNWPAAHR-MCIONIFRSA-N 1 0 207.361 3.299 10 0 BGAERO C[N@@H+]1CC[C@@]2(C1)CC[C@@H]1CCCC[C@@H]1C2 ZINC000584652442 358307610 /nfs/dbraw/zinc/30/76/10/358307610.db2.gz LVIKJFCNWPAAHR-MJBXVCDLSA-N 1 0 207.361 3.299 10 0 BGAERO C[N@@H+]1CC[C@@]2(C1)CC[C@H]1CCCC[C@H]1C2 ZINC000584652443 358307782 /nfs/dbraw/zinc/30/77/82/358307782.db2.gz LVIKJFCNWPAAHR-RDBSUJKOSA-N 1 0 207.361 3.299 10 0 BGAERO C1CC[C@@H]2[C@H](C1)CCCC21CC[NH2+]CC1 ZINC000584652464 358307543 /nfs/dbraw/zinc/30/75/43/358307543.db2.gz MOERHTMBPYIXBJ-CHWSQXEVSA-N 1 0 207.361 3.347 10 0 BGAERO C1CC[C@H]2[C@H](C1)CCCC21CC[NH2+]CC1 ZINC000584652467 358307705 /nfs/dbraw/zinc/30/77/05/358307705.db2.gz MOERHTMBPYIXBJ-OLZOCXBDSA-N 1 0 207.361 3.347 10 0 BGAERO C1CC[C@H]2CCCC3(CC[NH2+]CC3)[C@@H]2C1 ZINC000584652469 358307620 /nfs/dbraw/zinc/30/76/20/358307620.db2.gz MOERHTMBPYIXBJ-QWHCGFSZSA-N 1 0 207.361 3.347 10 0 BGAERO C1CC[C@H]2[C@@H](C1)CCCC21CC[NH2+]CC1 ZINC000584652470 358307627 /nfs/dbraw/zinc/30/76/27/358307627.db2.gz MOERHTMBPYIXBJ-STQMWFEESA-N 1 0 207.361 3.347 10 0 BGAERO [NH3+]CCCCc1ncccc1-c1ccc(F)cc1 ZINC000584661129 358311900 /nfs/dbraw/zinc/31/19/00/358311900.db2.gz KPMHFYDDBPOPAL-UHFFFAOYSA-N 1 0 244.313 3.169 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)c1c[nH]c2cc(F)ccc21 ZINC000584880669 343081211 /nfs/dbraw/zinc/08/12/11/343081211.db2.gz GQISWBXSAACXBR-PELKAZGASA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@@H]([NH3+])[C@H](C)c1c[nH]c2cc(F)ccc21 ZINC000584880670 343081353 /nfs/dbraw/zinc/08/13/53/343081353.db2.gz GQISWBXSAACXBR-PRHODGIISA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)c1c[nH]c2cc(F)ccc21 ZINC000584880672 343081279 /nfs/dbraw/zinc/08/12/79/343081279.db2.gz GQISWBXSAACXBR-QPUJVOFHSA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@H]([NH3+])[C@@H](C)c1c[nH]c2cc(F)ccc21 ZINC000584880674 343081365 /nfs/dbraw/zinc/08/13/65/343081365.db2.gz GQISWBXSAACXBR-UFBFGSQYSA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)c1c[nH]c2cccc(F)c21 ZINC000584880700 343081248 /nfs/dbraw/zinc/08/12/48/343081248.db2.gz HHVUHDIKSXBMBD-GZMMTYOYSA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)c1c[nH]c2cccc(F)c21 ZINC000584880702 343081068 /nfs/dbraw/zinc/08/10/68/343081068.db2.gz HHVUHDIKSXBMBD-KCJUWKMLSA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@H]([NH3+])[C@@H](C)c1c[nH]c2cccc(F)c21 ZINC000584880704 343081130 /nfs/dbraw/zinc/08/11/30/343081130.db2.gz HHVUHDIKSXBMBD-KWQFWETISA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@@H]([NH3+])[C@H](C)c1c[nH]c2cccc(F)c21 ZINC000584880705 343081120 /nfs/dbraw/zinc/08/11/20/343081120.db2.gz HHVUHDIKSXBMBD-LDYMZIIASA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@H]([NH3+])[C@@H](C)c1c[nH]c2cc(C)ccc21 ZINC000584881288 343082439 /nfs/dbraw/zinc/08/24/39/343082439.db2.gz QJDIHEBAGLPKMB-GWCFXTLKSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)c1c[nH]c2cc(C)ccc21 ZINC000584881289 343082359 /nfs/dbraw/zinc/08/23/59/343082359.db2.gz QJDIHEBAGLPKMB-GXFFZTMASA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)c1c[nH]c2cc(C)ccc21 ZINC000584881290 343082343 /nfs/dbraw/zinc/08/23/43/343082343.db2.gz QJDIHEBAGLPKMB-MFKMUULPSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@@H]([NH3+])[C@H](C)c1c[nH]c2cc(C)ccc21 ZINC000584881291 343082402 /nfs/dbraw/zinc/08/24/02/343082402.db2.gz QJDIHEBAGLPKMB-ZWNOBZJWSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@H]([NH3+])[C@@H](C)c1c[nH]c2c1cccc2C ZINC000584881564 343082460 /nfs/dbraw/zinc/08/24/60/343082460.db2.gz WJKVPRNTSNMUOL-GWCFXTLKSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)c1c[nH]c2c1cccc2C ZINC000584881567 343082523 /nfs/dbraw/zinc/08/25/23/343082523.db2.gz WJKVPRNTSNMUOL-GXFFZTMASA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)c1c[nH]c2c1cccc2C ZINC000584881568 343082331 /nfs/dbraw/zinc/08/23/31/343082331.db2.gz WJKVPRNTSNMUOL-MFKMUULPSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@@H]([NH3+])[C@H](C)c1c[nH]c2c1cccc2C ZINC000584881569 343082328 /nfs/dbraw/zinc/08/23/28/343082328.db2.gz WJKVPRNTSNMUOL-ZWNOBZJWSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)c1c[nH]c2ccc(F)cc21 ZINC000584881577 343082432 /nfs/dbraw/zinc/08/24/32/343082432.db2.gz WVYBDEFPLUDZNK-PELKAZGASA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@@H]([NH3+])[C@H](C)c1c[nH]c2ccc(F)cc21 ZINC000584881578 343082396 /nfs/dbraw/zinc/08/23/96/343082396.db2.gz WVYBDEFPLUDZNK-PRHODGIISA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)c1c[nH]c2ccc(F)cc21 ZINC000584881579 343082705 /nfs/dbraw/zinc/08/27/05/343082705.db2.gz WVYBDEFPLUDZNK-QPUJVOFHSA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@H]([NH3+])[C@@H](C)c1c[nH]c2ccc(F)cc21 ZINC000584881581 343082790 /nfs/dbraw/zinc/08/27/90/343082790.db2.gz WVYBDEFPLUDZNK-UFBFGSQYSA-N 1 0 220.291 3.148 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](C)c1c[nH]c2cccc(C)c21 ZINC000584881684 343082863 /nfs/dbraw/zinc/08/28/63/343082863.db2.gz ZKTDCOINRFUNHU-CMPLNLGQSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@H]([NH3+])[C@@H](C)c1c[nH]c2cccc(C)c21 ZINC000584881685 343082737 /nfs/dbraw/zinc/08/27/37/343082737.db2.gz ZKTDCOINRFUNHU-JQWIXIFHSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)c1c[nH]c2cccc(C)c21 ZINC000584881686 343082772 /nfs/dbraw/zinc/08/27/72/343082772.db2.gz ZKTDCOINRFUNHU-PWSUYJOCSA-N 1 0 216.328 3.317 10 0 BGAERO CC[C@@H]([NH3+])[C@H](C)c1c[nH]c2cccc(C)c21 ZINC000584881687 343082666 /nfs/dbraw/zinc/08/26/66/343082666.db2.gz ZKTDCOINRFUNHU-ZYHUDNBSSA-N 1 0 216.328 3.317 10 0 BGAERO CCn1cc(CC[C@@H](C)[NH3+])c2cccc(C)c21 ZINC000584882354 343084556 /nfs/dbraw/zinc/08/45/56/343084556.db2.gz DGQMBDQMHILZHB-GFCCVEGCSA-N 1 0 230.355 3.249 10 0 BGAERO CCn1cc(CC[C@H](C)[NH3+])c2cccc(C)c21 ZINC000584882357 343084721 /nfs/dbraw/zinc/08/47/21/343084721.db2.gz DGQMBDQMHILZHB-LBPRGKRZSA-N 1 0 230.355 3.249 10 0 BGAERO CCn1cc(CC[C@H](C)[NH3+])c2cc(F)ccc21 ZINC000584882473 343084751 /nfs/dbraw/zinc/08/47/51/343084751.db2.gz LFIGVVBOTNFNGU-JTQLQIEISA-N 1 0 234.318 3.080 10 0 BGAERO CCn1cc(CC[C@@H](C)[NH3+])c2cc(F)ccc21 ZINC000584882474 343084686 /nfs/dbraw/zinc/08/46/86/343084686.db2.gz LFIGVVBOTNFNGU-SNVBAGLBSA-N 1 0 234.318 3.080 10 0 BGAERO CCn1cc(CC[C@@H](C)[NH3+])c2ccc(C)cc21 ZINC000584882537 343085175 /nfs/dbraw/zinc/08/51/75/343085175.db2.gz NOHCBRLIRUAUOQ-GFCCVEGCSA-N 1 0 230.355 3.249 10 0 BGAERO CCn1cc(CC[C@H](C)[NH3+])c2ccc(C)cc21 ZINC000584882538 343085085 /nfs/dbraw/zinc/08/50/85/343085085.db2.gz NOHCBRLIRUAUOQ-LBPRGKRZSA-N 1 0 230.355 3.249 10 0 BGAERO CCn1cc(CC[C@H](C)[NH3+])c2ccc(F)cc21 ZINC000584882617 343085003 /nfs/dbraw/zinc/08/50/03/343085003.db2.gz RJFLKPZOUKVVRC-JTQLQIEISA-N 1 0 234.318 3.080 10 0 BGAERO CCn1cc(CC[C@@H](C)[NH3+])c2ccc(F)cc21 ZINC000584882619 343085209 /nfs/dbraw/zinc/08/52/09/343085209.db2.gz RJFLKPZOUKVVRC-SNVBAGLBSA-N 1 0 234.318 3.080 10 0 BGAERO CCn1cc(CC[C@@H](C)[NH3+])c2c1cccc2C ZINC000584882712 343085062 /nfs/dbraw/zinc/08/50/62/343085062.db2.gz ZURKWOUKSLDADD-GFCCVEGCSA-N 1 0 230.355 3.249 10 0 BGAERO CCn1cc(CC[C@H](C)[NH3+])c2c1cccc2C ZINC000584882713 343085214 /nfs/dbraw/zinc/08/52/14/343085214.db2.gz ZURKWOUKSLDADD-LBPRGKRZSA-N 1 0 230.355 3.249 10 0 BGAERO C[C@@H]1Cc2ccsc2C2(CCCC2)[NH2+]1 ZINC000584883760 343086785 /nfs/dbraw/zinc/08/67/85/343086785.db2.gz FDIRZJSRTUQJFY-SECBINFHSA-N 1 0 207.342 3.052 10 0 BGAERO C[C@H]1Cc2ccsc2C2(CCCC2)[NH2+]1 ZINC000584883761 343087126 /nfs/dbraw/zinc/08/71/26/343087126.db2.gz FDIRZJSRTUQJFY-VIFPVBQESA-N 1 0 207.342 3.052 10 0 BGAERO FC1(F)CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883798 343086788 /nfs/dbraw/zinc/08/67/88/343086788.db2.gz LFBKTDHDXDVXMO-UHFFFAOYSA-N 1 0 243.322 3.298 10 0 BGAERO C[C@H]1Cc2ccsc2C2(CCCCC2)[NH2+]1 ZINC000584883804 343086871 /nfs/dbraw/zinc/08/68/71/343086871.db2.gz MPBJQGDWSUCDSA-JTQLQIEISA-N 1 0 221.369 3.442 10 0 BGAERO C[C@@H]1Cc2ccsc2C2(CCCCC2)[NH2+]1 ZINC000584883805 343087023 /nfs/dbraw/zinc/08/70/23/343087023.db2.gz MPBJQGDWSUCDSA-SNVBAGLBSA-N 1 0 221.369 3.442 10 0 BGAERO C[C@@H]1Cc2ccsc2C2(CCSCC2)[NH2+]1 ZINC000584883903 343087389 /nfs/dbraw/zinc/08/73/89/343087389.db2.gz WODUWTJVWPXYLC-SECBINFHSA-N 1 0 239.409 3.005 10 0 BGAERO C[C@H]1Cc2ccsc2C2(CCSCC2)[NH2+]1 ZINC000584883904 343087322 /nfs/dbraw/zinc/08/73/22/343087322.db2.gz WODUWTJVWPXYLC-VIFPVBQESA-N 1 0 239.409 3.005 10 0 BGAERO c1cc2c(s1)C1(CCCCC1)[NH2+]CC2 ZINC000584883909 343087225 /nfs/dbraw/zinc/08/72/25/343087225.db2.gz XCJRFFRMCYGQOW-UHFFFAOYSA-N 1 0 207.342 3.053 10 0 BGAERO CC1CCC2(CC1)[NH2+]CCc1ccsc12 ZINC000584883922 343087304 /nfs/dbraw/zinc/08/73/04/343087304.db2.gz ZLPQBBPFKQGNGR-UHFFFAOYSA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@@H]([NH2+]Cc1[nH]nc2ccccc21)C(C)C ZINC000589645209 346724738 /nfs/dbraw/zinc/72/47/38/346724738.db2.gz VGWNTFJEBYIJHV-GFCCVEGCSA-N 1 0 231.343 3.087 10 0 BGAERO CC[C@H]([NH2+]Cc1[nH]nc2ccccc21)C(C)C ZINC000589645211 346724891 /nfs/dbraw/zinc/72/48/91/346724891.db2.gz VGWNTFJEBYIJHV-LBPRGKRZSA-N 1 0 231.343 3.087 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2C[C@H](C)CC[C@H]2C(C)C)[nH]n1 ZINC000603516823 349986896 /nfs/dbraw/zinc/98/68/96/349986896.db2.gz LYAOKRJDGMIWPS-BYCMXARLSA-N 1 0 249.402 3.269 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)[nH]n1 ZINC000603516826 349986906 /nfs/dbraw/zinc/98/69/06/349986906.db2.gz LYAOKRJDGMIWPS-NILFDRSVSA-N 1 0 249.402 3.269 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2C[C@@H](C)CC[C@H]2C(C)C)[nH]n1 ZINC000603516827 349986695 /nfs/dbraw/zinc/98/66/95/349986695.db2.gz LYAOKRJDGMIWPS-TUKIKUTGSA-N 1 0 249.402 3.269 10 0 BGAERO CCCC1CC(C[NH3+])(COCc2ccccc2)C1 ZINC000606302922 372092030 /nfs/dbraw/zinc/09/20/30/372092030.db2.gz LFGJFGTVVXRXCR-UHFFFAOYSA-N 1 0 247.382 3.358 10 0 BGAERO CC1CC(C[NH3+])(COc2cccc(Cl)c2)C1 ZINC000606303150 372092229 /nfs/dbraw/zinc/09/22/29/372092229.db2.gz OUQAOLXTFDRTFZ-UHFFFAOYSA-N 1 0 239.746 3.094 10 0 BGAERO CC1CC(C[NH3+])(COc2ccccc2Cl)C1 ZINC000606303803 372093108 /nfs/dbraw/zinc/09/31/08/372093108.db2.gz VVGUAVBKNGQOSA-UHFFFAOYSA-N 1 0 239.746 3.094 10 0 BGAERO FC[C@@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000606303882 372092943 /nfs/dbraw/zinc/09/29/43/372092943.db2.gz JKIYGTCZMLVZGA-AAEUAGOBSA-N 1 0 213.340 3.437 10 0 BGAERO FC[C@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000606303887 351560207 /nfs/dbraw/zinc/56/02/07/351560207.db2.gz JKIYGTCZMLVZGA-DGCLKSJQSA-N 1 0 213.340 3.437 10 0 BGAERO FC[C@@H]1CCCC[C@H]1[NH2+]C1CCCCC1 ZINC000606303888 351560551 /nfs/dbraw/zinc/56/05/51/351560551.db2.gz JKIYGTCZMLVZGA-WCQYABFASA-N 1 0 213.340 3.437 10 0 BGAERO FC[C@H]1CCCC[C@@H]1[NH2+]C1CCCCC1 ZINC000606303889 351560231 /nfs/dbraw/zinc/56/02/31/351560231.db2.gz JKIYGTCZMLVZGA-YPMHNXCESA-N 1 0 213.340 3.437 10 0 BGAERO C[NH+](C)[C@@H]1CCCCC[C@H]1c1ccccn1 ZINC000606304403 351562833 /nfs/dbraw/zinc/56/28/33/351562833.db2.gz YJGNQAKUKRXURV-GXTWGEPZSA-N 1 0 218.344 3.060 10 0 BGAERO C[NH+](C)[C@H]1CCCCC[C@H]1c1ccccn1 ZINC000606304404 351563083 /nfs/dbraw/zinc/56/30/83/351563083.db2.gz YJGNQAKUKRXURV-JSGCOSHPSA-N 1 0 218.344 3.060 10 0 BGAERO C[NH+](C)[C@H]1CCCCC[C@@H]1c1ccccn1 ZINC000606304405 351563234 /nfs/dbraw/zinc/56/32/34/351563234.db2.gz YJGNQAKUKRXURV-OCCSQVGLSA-N 1 0 218.344 3.060 10 0 BGAERO C[NH+](C)[C@@H]1CCCCC[C@@H]1c1ccccn1 ZINC000606304406 351562946 /nfs/dbraw/zinc/56/29/46/351562946.db2.gz YJGNQAKUKRXURV-TZMCWYRMSA-N 1 0 218.344 3.060 10 0 BGAERO C#[N+]c1ccc2cnn(C(=O)OC(C)(C)C)c2c1 ZINC000616221036 369063996 /nfs/dbraw/zinc/06/39/96/369063996.db2.gz HEXQWFSPOQZVTO-UHFFFAOYSA-N 1 0 243.266 3.370 10 0 BGAERO c1ccc2c(c1)cncc2C[C@@H]1CCC[NH2+]CC1 ZINC000616417622 347117418 /nfs/dbraw/zinc/11/74/18/347117418.db2.gz JJNBKQGGOTZGGN-CYBMUJFWSA-N 1 0 240.350 3.167 10 0 BGAERO c1ccc2c(c1)cncc2C[C@H]1CCC[NH2+]CC1 ZINC000616417623 347117279 /nfs/dbraw/zinc/11/72/79/347117279.db2.gz JJNBKQGGOTZGGN-ZDUSSCGKSA-N 1 0 240.350 3.167 10 0 BGAERO Cc1ncsc1-c1ccc([C@@H](C)[NH3+])cc1 ZINC000616567821 347434852 /nfs/dbraw/zinc/43/48/52/347434852.db2.gz CNZNRMWCDRNGBO-MRVPVSSYSA-N 1 0 218.325 3.138 10 0 BGAERO CCC(C)(C)[NH2+]Cc1snc(OC)c1Cl ZINC000616569586 347792928 /nfs/dbraw/zinc/79/29/28/347792928.db2.gz AMRYEMDIHLHCQR-UHFFFAOYSA-N 1 0 248.779 3.083 10 0 BGAERO [NH3+]CCC1(CC(F)(F)F)CCCCC1 ZINC000616571590 348199767 /nfs/dbraw/zinc/19/97/67/348199767.db2.gz HQYBADPMGDMQEH-UHFFFAOYSA-N 1 0 209.255 3.238 10 0 BGAERO CCC(CC)[NH2+]Cc1c(C)ccc(N)c1C ZINC000616574450 349078963 /nfs/dbraw/zinc/07/89/63/349078963.db2.gz PNIFUSYHIIGZQD-UHFFFAOYSA-N 1 0 220.360 3.164 10 0 BGAERO CCC(CC)[NH2+]Cc1snc(OC)c1Cl ZINC000616574656 349080386 /nfs/dbraw/zinc/08/03/86/349080386.db2.gz VKBVGVOWNCMQNM-UHFFFAOYSA-N 1 0 248.779 3.083 10 0 BGAERO CCC(C)(C)[NH2+]Cc1c(C)ccc(N)c1C ZINC000616574840 349080996 /nfs/dbraw/zinc/08/09/96/349080996.db2.gz YMZUIRGVAHDNPH-UHFFFAOYSA-N 1 0 220.360 3.164 10 0 BGAERO CC[NH2+]Cc1ccc(C)c(Br)c1C ZINC000616580447 349257550 /nfs/dbraw/zinc/25/75/50/349257550.db2.gz XPYFQUADUMBGMC-UHFFFAOYSA-N 1 0 242.160 3.175 10 0 BGAERO C[C@H]1CC[C@H]([NH2+]CC2(F)CCCC2)CC1 ZINC000616580797 349260495 /nfs/dbraw/zinc/26/04/95/349260495.db2.gz BJIJUPMMZOTLCD-HAQNSBGRSA-N 1 0 213.340 3.437 10 0 BGAERO CC(C)c1nccn1CC1(F)CCCC1 ZINC000616580820 349260314 /nfs/dbraw/zinc/26/03/14/349260314.db2.gz QDEIQJZLFZQPTL-UHFFFAOYSA-N 1 0 210.296 3.289 10 0 BGAERO CCCCC[C@@H](C)[NH2+][C@@H]1CCC[C@H]1F ZINC000616580961 349263151 /nfs/dbraw/zinc/26/31/51/349263151.db2.gz BABWEOSDRVZPKX-IJLUTSLNSA-N 1 0 201.329 3.435 10 0 BGAERO CCCCC[C@H](C)[NH2+][C@@H]1CCC[C@H]1F ZINC000616580963 369095332 /nfs/dbraw/zinc/09/53/32/369095332.db2.gz BABWEOSDRVZPKX-QJPTWQEYSA-N 1 0 201.329 3.435 10 0 BGAERO C[C@H]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)CC1 ZINC000616581077 349261188 /nfs/dbraw/zinc/26/11/88/349261188.db2.gz DAMNNBRIXYZFSL-FDYHWXHSSA-N 1 0 213.340 3.435 10 0 BGAERO CCCCCC[NH2+]CC1(F)CCCC1 ZINC000616581312 349263565 /nfs/dbraw/zinc/26/35/65/349263565.db2.gz NCFLNZNFYAUQFT-UHFFFAOYSA-N 1 0 201.329 3.439 10 0 BGAERO Fc1ccc(CC[NH2+][C@@H]2CCCC[C@H]2F)cc1 ZINC000616581367 349263460 /nfs/dbraw/zinc/26/34/60/349263460.db2.gz OKFXVAHIDAMHPZ-ZIAGYGMSSA-N 1 0 239.309 3.239 10 0 BGAERO FC1(C[NH2+]CCCc2ccccc2)CCCC1 ZINC000616581451 349264107 /nfs/dbraw/zinc/26/41/07/349264107.db2.gz RUVFMEOQZOLZBC-UHFFFAOYSA-N 1 0 235.346 3.491 10 0 BGAERO F[C@@H]1CCCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000616581511 349264369 /nfs/dbraw/zinc/26/43/69/349264369.db2.gz WRRPICIKOWDAEY-HUUCEWRRSA-N 1 0 235.346 3.490 10 0 BGAERO F[C@@H]1CCC[C@H]1[NH2+]CCCc1ccccc1 ZINC000616581528 349264581 /nfs/dbraw/zinc/26/45/81/349264581.db2.gz XURAWQFFYCTLLX-ZIAGYGMSSA-N 1 0 221.319 3.099 10 0 BGAERO Fc1ccc(CC[NH2+]CC2(F)CCCC2)cc1 ZINC000616581536 349264389 /nfs/dbraw/zinc/26/43/89/349264389.db2.gz YFVUGMZMAMWWDO-UHFFFAOYSA-N 1 0 239.309 3.240 10 0 BGAERO C[C@@H]1c2ccccc2CC[N@@H+]1C(C)(C)C ZINC000616583595 349317353 /nfs/dbraw/zinc/31/73/53/349317353.db2.gz FUNLBGCASRZXAW-LLVKDONJSA-N 1 0 203.329 3.404 10 0 BGAERO C[NH+](C)[C@@H]1CCN(C(C)(C)C)c2ccccc21 ZINC000616584584 349349992 /nfs/dbraw/zinc/34/99/92/349349992.db2.gz BPSWDOOIYFRHMX-CYBMUJFWSA-N 1 0 232.371 3.298 10 0 BGAERO CC(C)N1CC[C@@H](c2ncc[nH]2)c2ccccc21 ZINC000616584896 369096514 /nfs/dbraw/zinc/09/65/14/369096514.db2.gz CVILERZZJPABJE-CYBMUJFWSA-N 1 0 241.338 3.160 10 0 BGAERO C[N@@H+]1CCc2ccccc2[C@@H]1c1cccc(F)c1 ZINC000616587993 349464446 /nfs/dbraw/zinc/46/44/46/349464446.db2.gz NZNSVNOZYOAUCY-INIZCTEOSA-N 1 0 241.309 3.403 10 0 BGAERO C[NH+](C)[C@H]1CCN(C(C)(C)C)c2ccccc21 ZINC000616588625 349503373 /nfs/dbraw/zinc/50/33/73/349503373.db2.gz BPSWDOOIYFRHMX-ZDUSSCGKSA-N 1 0 232.371 3.298 10 0 BGAERO CC(C)(C)N1CC[C@@H](CC[NH3+])c2ccccc21 ZINC000616588637 349504208 /nfs/dbraw/zinc/50/42/08/349504208.db2.gz WYIXZENMEYNBQD-GFCCVEGCSA-N 1 0 232.371 3.128 10 0 BGAERO CC[N@@H+]1CCO[C@H](c2ccc(Cl)cc2)CC1 ZINC000616592158 350442720 /nfs/dbraw/zinc/44/27/20/350442720.db2.gz CFNBXCOAEPCKCS-ZDUSSCGKSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)CC1 ZINC000616592575 350467606 /nfs/dbraw/zinc/46/76/06/350467606.db2.gz CFNBXCOAEPCKCS-CYBMUJFWSA-N 1 0 239.746 3.123 10 0 BGAERO CC(C)(C)[C@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616595474 350608467 /nfs/dbraw/zinc/60/84/67/350608467.db2.gz WACPKRRLOBJAIV-OAHLLOKOSA-N 1 0 247.382 3.324 10 0 BGAERO CC[N@@H+]1CCO[C@H](c2ccccc2Cl)CC1 ZINC000616595817 350611612 /nfs/dbraw/zinc/61/16/12/350611612.db2.gz YZQNQIPBIKNERV-ZDUSSCGKSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCO[C@@H](c2ccccc2Cl)CC1 ZINC000616595826 350611472 /nfs/dbraw/zinc/61/14/72/350611472.db2.gz YZQNQIPBIKNERV-CYBMUJFWSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCOCC[C@H]1c1cccc(Cl)c1 ZINC000616597116 350639523 /nfs/dbraw/zinc/63/95/23/350639523.db2.gz AQVQVFNYFXJMLV-ZDUSSCGKSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCOCC[C@@H]1c1cccc(Cl)c1 ZINC000616597521 350654440 /nfs/dbraw/zinc/65/44/40/350654440.db2.gz AQVQVFNYFXJMLV-CYBMUJFWSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCOCC[C@H]1c1ccc(Cl)cc1 ZINC000616597652 350652938 /nfs/dbraw/zinc/65/29/38/350652938.db2.gz GWNDMCWNKXUPKV-ZDUSSCGKSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCOCC[C@@H]1c1ccc(Cl)cc1 ZINC000616598148 350656539 /nfs/dbraw/zinc/65/65/39/350656539.db2.gz GWNDMCWNKXUPKV-CYBMUJFWSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCOCC[C@H]1c1ccccc1Cl ZINC000616598394 343519194 /nfs/dbraw/zinc/51/91/94/343519194.db2.gz QIWASYAKPRSGDT-ZDUSSCGKSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCCOC[C@@H]1c1cccc(Cl)c1 ZINC000616598508 350673074 /nfs/dbraw/zinc/67/30/74/350673074.db2.gz CPVQHUDKFFZALP-CYBMUJFWSA-N 1 0 239.746 3.123 10 0 BGAERO CC[N@@H+]1CCOCC[C@@H]1c1ccccc1Cl ZINC000616599222 350737659 /nfs/dbraw/zinc/73/76/59/350737659.db2.gz QIWASYAKPRSGDT-CYBMUJFWSA-N 1 0 239.746 3.123 10 0 BGAERO CC(C)(C)[C@@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616599306 350742618 /nfs/dbraw/zinc/74/26/18/350742618.db2.gz YGSCRAPDYOWQFF-HNNXBMFYSA-N 1 0 247.382 3.324 10 0 BGAERO CC[N@@H+]1CCCOC[C@@H]1c1ccccc1Cl ZINC000616599828 350759350 /nfs/dbraw/zinc/75/93/50/350759350.db2.gz QFZPWGBPNZPXQH-CYBMUJFWSA-N 1 0 239.746 3.123 10 0 BGAERO CC(C)(C)[C@H]1CCOCC[N@@H+]1Cc1ccccc1 ZINC000616599874 350771649 /nfs/dbraw/zinc/77/16/49/350771649.db2.gz YGSCRAPDYOWQFF-OAHLLOKOSA-N 1 0 247.382 3.324 10 0 BGAERO CC(C)(C)[C@H]1COCCC[N@@H+]1Cc1ccccc1 ZINC000616600056 350779345 /nfs/dbraw/zinc/77/93/45/350779345.db2.gz ZKOBSYOETJGYAI-OAHLLOKOSA-N 1 0 247.382 3.324 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](C(F)F)CC1 ZINC000616600297 350779560 /nfs/dbraw/zinc/77/95/60/350779560.db2.gz BNKXADNWYINOTH-SECBINFHSA-N 1 0 205.292 3.152 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cnoc2)CC1 ZINC000616600344 350779596 /nfs/dbraw/zinc/77/95/96/350779596.db2.gz CKDDHPYUFOFANT-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616600371 350779492 /nfs/dbraw/zinc/77/94/92/350779492.db2.gz CQDSVBIKNOKVLO-CYBMUJFWSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ccccn2)CC1 ZINC000616600375 350779034 /nfs/dbraw/zinc/77/90/34/350779034.db2.gz IALTVALOPBMZGC-ZDUSSCGKSA-N 1 0 232.371 3.450 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](OC(F)(F)F)CC1 ZINC000616600424 344444375 /nfs/dbraw/zinc/44/43/75/344444375.db2.gz FHULHUKOAGPAOB-SECBINFHSA-N 1 0 239.281 3.176 10 0 BGAERO C[N@@H+]1CCC[C@H](c2ccccc2F)CC1 ZINC000616600437 350780757 /nfs/dbraw/zinc/78/07/57/350780757.db2.gz AALLUYSIMUFZJN-NSHDSACASA-N 1 0 207.292 3.025 10 0 BGAERO C[N@@H+]1CCC[C@H](c2ccnc3ccccc32)CC1 ZINC000616600470 350780305 /nfs/dbraw/zinc/78/03/05/350780305.db2.gz ANOQYPIYEMCWDO-ZDUSSCGKSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCC[C@H](c2cccc3cccnc32)CC1 ZINC000616600505 350780245 /nfs/dbraw/zinc/78/02/45/350780245.db2.gz BMAPTAJIRORMFS-ZDUSSCGKSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cnoc2)CC1 ZINC000616600524 350780261 /nfs/dbraw/zinc/78/02/61/350780261.db2.gz CKDDHPYUFOFANT-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](c2ccccn2)CC1 ZINC000616600529 350780607 /nfs/dbraw/zinc/78/06/07/350780607.db2.gz CQDSVBIKNOKVLO-ZDUSSCGKSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](c2ccccc2CO)CC1 ZINC000616600538 350780226 /nfs/dbraw/zinc/78/02/26/350780226.db2.gz DCQHGYKMRRQWRQ-AWEZNQCLSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](C(F)(F)F)CC1 ZINC000616600581 350780239 /nfs/dbraw/zinc/78/02/39/350780239.db2.gz GVJCXIHLOWPBJX-SECBINFHSA-N 1 0 223.282 3.449 10 0 BGAERO c1cc2cc([C@@H]3CCC[NH2+]CC3)ccc2cn1 ZINC000616600624 350778290 /nfs/dbraw/zinc/77/82/90/350778290.db2.gz AKUYDSGWKNGSPM-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO CC[N@@H+]1CCC[C@H](c2ccccc2NC)CC1 ZINC000616600738 350783516 /nfs/dbraw/zinc/78/35/16/350783516.db2.gz GARCVCLMULBHRI-ZDUSSCGKSA-N 1 0 232.371 3.318 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccccn2)CC1 ZINC000616600838 350780542 /nfs/dbraw/zinc/78/05/42/350780542.db2.gz IALTVALOPBMZGC-CYBMUJFWSA-N 1 0 232.371 3.450 10 0 BGAERO C[N@@H+]1CCC[C@H](c2cccc3ccncc32)CC1 ZINC000616600947 350781619 /nfs/dbraw/zinc/78/16/19/350781619.db2.gz HZPSJHBCDQGAMO-AWEZNQCLSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](Nc2ccccn2)CC1 ZINC000616601054 350781721 /nfs/dbraw/zinc/78/17/21/350781721.db2.gz KEJKHKNIDNIMKL-CYBMUJFWSA-N 1 0 247.386 3.147 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cnco2)CC1 ZINC000616601105 350781807 /nfs/dbraw/zinc/78/18/07/350781807.db2.gz KOEGWFRQNFJHIE-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H](c2cccnc2)CC1 ZINC000616601109 350781062 /nfs/dbraw/zinc/78/10/62/350781062.db2.gz KTMGNAIGFJOMMT-CYBMUJFWSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cnco2)CC1 ZINC000616601150 350781465 /nfs/dbraw/zinc/78/14/65/350781465.db2.gz KOEGWFRQNFJHIE-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](c2cccnc2)CC1 ZINC000616601153 350781220 /nfs/dbraw/zinc/78/12/20/350781220.db2.gz KTMGNAIGFJOMMT-ZDUSSCGKSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](c2ccncc2)CC1 ZINC000616601154 350781812 /nfs/dbraw/zinc/78/18/12/350781812.db2.gz KUZOXZAOSFRZSY-ZDUSSCGKSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H](c2ccncc2)CC1 ZINC000616601178 350781715 /nfs/dbraw/zinc/78/17/15/350781715.db2.gz KUZOXZAOSFRZSY-CYBMUJFWSA-N 1 0 218.344 3.060 10 0 BGAERO CC[N@@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616601190 350781150 /nfs/dbraw/zinc/78/11/50/350781150.db2.gz AEQWYBYOMCYEHW-ZDUSSCGKSA-N 1 0 221.319 3.415 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2cnc3ccccc3c2)C1 ZINC000616601193 350781483 /nfs/dbraw/zinc/78/14/83/350781483.db2.gz AHJWZDNRGPEBJG-AWEZNQCLSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cocn2)CC1 ZINC000616601240 350781843 /nfs/dbraw/zinc/78/18/43/350781843.db2.gz NAJKEKRVXPYACY-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC[N@@H+]1CCCC[C@H](c2ccc(OC)cc2)C1 ZINC000616601244 350781789 /nfs/dbraw/zinc/78/17/89/350781789.db2.gz BBWDUEOEMKZRSS-AWEZNQCLSA-N 1 0 233.355 3.285 10 0 BGAERO c1ccc2c(c1)nccc2[C@@H]1CCC[NH2+]CC1 ZINC000616601382 350782367 /nfs/dbraw/zinc/78/23/67/350782367.db2.gz HGOVFFAZNZWZIF-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccno2)CC1 ZINC000616601391 350782405 /nfs/dbraw/zinc/78/24/05/350782405.db2.gz OOGCTENTEHRCHW-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO C[N@@H+]1CCC[C@H](c2cccc3cnccc32)CC1 ZINC000616601519 350782336 /nfs/dbraw/zinc/78/23/36/350782336.db2.gz MANSWTHORORTNX-ZDUSSCGKSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616601600 350782600 /nfs/dbraw/zinc/78/26/00/350782600.db2.gz DFPTWNKTIFMWPY-NSHDSACASA-N 1 0 207.292 3.025 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2nccc3ccccc32)C1 ZINC000616601614 350782361 /nfs/dbraw/zinc/78/23/61/350782361.db2.gz DKVOWZDCRDNCMZ-AWEZNQCLSA-N 1 0 240.350 3.434 10 0 BGAERO c1ccc2ncc([C@H]3CCCC[NH2+]C3)cc2c1 ZINC000616601648 350782523 /nfs/dbraw/zinc/78/25/23/350782523.db2.gz DRBPODIPKIAQLJ-ZDUSSCGKSA-N 1 0 226.323 3.092 10 0 BGAERO CC[N@@H+]1CCCC[C@H](c2ccc(F)cc2)C1 ZINC000616601652 350782641 /nfs/dbraw/zinc/78/26/41/350782641.db2.gz DSBBIPBCJGDFTI-ZDUSSCGKSA-N 1 0 221.319 3.415 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616601751 350786808 /nfs/dbraw/zinc/78/68/08/350786808.db2.gz FORRVKMPWCIEQU-HNNXBMFYSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cocn2)CC1 ZINC000616601758 350786931 /nfs/dbraw/zinc/78/69/31/350786931.db2.gz NAJKEKRVXPYACY-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO c1ccc2c(c1)ccnc2[C@@H]1CCC[NH2+]CC1 ZINC000616601827 350787546 /nfs/dbraw/zinc/78/75/46/350787546.db2.gz KTSMYDXJONWPPZ-CYBMUJFWSA-N 1 0 226.323 3.092 10 0 BGAERO C[N@@H+]1CCC[C@H](c2ccc3ncccc3c2)CC1 ZINC000616601999 350790762 /nfs/dbraw/zinc/79/07/62/350790762.db2.gz PJJKBSISSQJIOG-ZDUSSCGKSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cccnc2)CC1 ZINC000616602075 350790938 /nfs/dbraw/zinc/79/09/38/350790938.db2.gz RVFFHWKAFWIIJO-CYBMUJFWSA-N 1 0 232.371 3.450 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2ccc3cccnc3c2)C1 ZINC000616602087 350790914 /nfs/dbraw/zinc/79/09/14/350790914.db2.gz GUKQJOIIIYWNAR-HNNXBMFYSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2cccc3ncccc32)C1 ZINC000616602104 350791055 /nfs/dbraw/zinc/79/10/55/350791055.db2.gz GVSWYQQXBRWXJY-ZDUSSCGKSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](c2cccc(N)n2)CC1 ZINC000616602111 350791126 /nfs/dbraw/zinc/79/11/26/350791126.db2.gz XAJOPNOZUVRCGQ-LBPRGKRZSA-N 1 0 247.386 3.032 10 0 BGAERO CC[N@@H+]1CCCC[C@H](c2cccc(NC)c2)C1 ZINC000616602117 350791082 /nfs/dbraw/zinc/79/10/82/350791082.db2.gz HABARVBCJXGYAI-AWEZNQCLSA-N 1 0 232.371 3.318 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2cccc3ccncc32)C1 ZINC000616602135 350791000 /nfs/dbraw/zinc/79/10/00/350791000.db2.gz HBHKIRZSENUNSE-AWEZNQCLSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616602185 350790509 /nfs/dbraw/zinc/79/05/09/350790509.db2.gz HWRWCEJEERAWQP-INIZCTEOSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)CC1 ZINC000616602201 350790694 /nfs/dbraw/zinc/79/06/94/350790694.db2.gz UOAGSLATTRPQNP-OAHLLOKOSA-N 1 0 247.382 3.157 10 0 BGAERO CC[N@@H+]1CCCC[C@H](c2ccc(NC)cc2)C1 ZINC000616602205 350790799 /nfs/dbraw/zinc/79/07/99/350790799.db2.gz IJOXCSFHHOBWHY-AWEZNQCLSA-N 1 0 232.371 3.318 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H](c2cccc(CO)c2)CC1 ZINC000616602258 350790906 /nfs/dbraw/zinc/79/09/06/350790906.db2.gz WFPAFLRJDVBAKU-OAHLLOKOSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ncco2)CC1 ZINC000616602267 350790769 /nfs/dbraw/zinc/79/07/69/350790769.db2.gz WQVODIUSDICKLV-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2cccc(N)n2)CC1 ZINC000616602294 350790643 /nfs/dbraw/zinc/79/06/43/350790643.db2.gz XAJOPNOZUVRCGQ-GFCCVEGCSA-N 1 0 247.386 3.032 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2ccnc3ccccc32)C1 ZINC000616602299 350791122 /nfs/dbraw/zinc/79/11/22/350791122.db2.gz KKIOOOTWYBJGFU-ZDUSSCGKSA-N 1 0 240.350 3.434 10 0 BGAERO c1ccc2c(c1)nccc2[C@H]1CCCC[NH2+]C1 ZINC000616602306 350791153 /nfs/dbraw/zinc/79/11/53/350791153.db2.gz KNUQTCDVDFOOTF-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO c1cc2ccncc2c([C@H]2CCCC[NH2+]C2)c1 ZINC000616602338 350791139 /nfs/dbraw/zinc/79/11/39/350791139.db2.gz LKUCJZOVVLITEB-ZDUSSCGKSA-N 1 0 226.323 3.092 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2cncc3ccccc32)C1 ZINC000616602582 350791774 /nfs/dbraw/zinc/79/17/74/350791774.db2.gz MOAGNIDHYULTSD-AWEZNQCLSA-N 1 0 240.350 3.434 10 0 BGAERO c1cc2ccncc2c([C@@H]2CCC[NH2+]CC2)c1 ZINC000616602812 350788159 /nfs/dbraw/zinc/78/81/59/350788159.db2.gz QYCLTEGPBAZCFC-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](c2cccc(N)c2)CC1 ZINC000616602829 350788267 /nfs/dbraw/zinc/78/82/67/350788267.db2.gz SUELFAWRVSXHIY-ZDUSSCGKSA-N 1 0 232.371 3.247 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2cccc3cnccc32)C1 ZINC000616602891 350788424 /nfs/dbraw/zinc/78/84/24/350788424.db2.gz PNKGPYHYISIBIY-AWEZNQCLSA-N 1 0 240.350 3.434 10 0 BGAERO c1cc2cnccc2c([C@H]2CCCC[NH2+]C2)c1 ZINC000616602936 350789025 /nfs/dbraw/zinc/78/90/25/350789025.db2.gz QKGDTCAGGBDPII-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO CC[N@@H+]1CCCC[C@H](c2ccccc2OC)C1 ZINC000616602945 350789330 /nfs/dbraw/zinc/78/93/30/350789330.db2.gz QMYKUOKOCBHGTB-ZDUSSCGKSA-N 1 0 233.355 3.285 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](c2ccccc2N)CC1 ZINC000616602973 350788893 /nfs/dbraw/zinc/78/88/93/350788893.db2.gz UNOQWXBAFLTOER-ZDUSSCGKSA-N 1 0 232.371 3.247 10 0 BGAERO CC(C)[N@@H+]1CCC[C@H](c2ccc(CO)cc2)CC1 ZINC000616602978 350788921 /nfs/dbraw/zinc/78/89/21/350788921.db2.gz UOAGSLATTRPQNP-HNNXBMFYSA-N 1 0 247.382 3.157 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2ccc3ccncc3c2)C1 ZINC000616603059 350789392 /nfs/dbraw/zinc/78/93/92/350789392.db2.gz RVWGDQNVHIBOTN-HNNXBMFYSA-N 1 0 240.350 3.434 10 0 BGAERO c1cc2ccc([C@H]3CCCC[NH2+]C3)cc2cn1 ZINC000616603069 350788824 /nfs/dbraw/zinc/78/88/24/350788824.db2.gz SCMJVOAKBZTYFM-AWEZNQCLSA-N 1 0 226.323 3.092 10 0 BGAERO c1cnc2ccc([C@H]3CCCC[NH2+]C3)cc2c1 ZINC000616603076 350789208 /nfs/dbraw/zinc/78/92/08/350789208.db2.gz SCYGCPAHTDBFBU-AWEZNQCLSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ccccn2)C1 ZINC000616603086 350788817 /nfs/dbraw/zinc/78/88/17/350788817.db2.gz ASIXDPKFGIYXKL-ZDUSSCGKSA-N 1 0 232.371 3.450 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616603210 350788928 /nfs/dbraw/zinc/78/89/28/350788928.db2.gz CUEFOERTHRYKPV-AWEZNQCLSA-N 1 0 232.371 3.450 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](C(F)F)C1 ZINC000616603277 350789265 /nfs/dbraw/zinc/78/92/65/350789265.db2.gz FHOFRFULCMVPOU-VIFPVBQESA-N 1 0 205.292 3.152 10 0 BGAERO c1ccc2nc([C@H]3CCCC[NH2+]C3)ccc2c1 ZINC000616603390 350788989 /nfs/dbraw/zinc/78/89/89/350788989.db2.gz SRTYHNZZKINTEJ-ZDUSSCGKSA-N 1 0 226.323 3.092 10 0 BGAERO c1ccc2c(c1)cncc2[C@H]1CCCC[NH2+]C1 ZINC000616603414 350789092 /nfs/dbraw/zinc/78/90/92/350789092.db2.gz UAENNGYOAUQFHO-ZDUSSCGKSA-N 1 0 226.323 3.092 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2cccc(F)c2)C1 ZINC000616603430 350789937 /nfs/dbraw/zinc/78/99/37/350789937.db2.gz UMJBXOUOTSRGHX-LBPRGKRZSA-N 1 0 207.292 3.025 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@H](c2ncco2)CC1 ZINC000616603432 350790047 /nfs/dbraw/zinc/79/00/47/350790047.db2.gz WQVODIUSDICKLV-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO c1ccc2c(c1)ccnc2[C@H]1CCCC[NH2+]C1 ZINC000616603505 350790260 /nfs/dbraw/zinc/79/02/60/350790260.db2.gz VHNDOWZATLJTHT-ZDUSSCGKSA-N 1 0 226.323 3.092 10 0 BGAERO c1cc2ccc([C@H]3CCC[NH2+]CC3)cc2cn1 ZINC000616603516 350790107 /nfs/dbraw/zinc/79/01/07/350790107.db2.gz XKYJWBZFQMWBKB-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO CC[N@@H+]1CCCC[C@H](c2ccccc2F)C1 ZINC000616603520 350790121 /nfs/dbraw/zinc/79/01/21/350790121.db2.gz VOJBOKWYJZELDN-LBPRGKRZSA-N 1 0 221.319 3.415 10 0 BGAERO CC[N@@H+]1CCCC[C@H](c2cccc(OC)c2)C1 ZINC000616603563 350789694 /nfs/dbraw/zinc/78/96/94/350789694.db2.gz WHUHATLOSZRJKY-AWEZNQCLSA-N 1 0 233.355 3.285 10 0 BGAERO C[N@@H+]1CCC[C@H](c2cccc3ncccc32)CC1 ZINC000616603573 350789968 /nfs/dbraw/zinc/78/99/68/350789968.db2.gz YMLHXZKKAPPXJB-ZDUSSCGKSA-N 1 0 240.350 3.434 10 0 BGAERO c1cnc2cccc([C@H]3CCCC[NH2+]C3)c2c1 ZINC000616603589 350789674 /nfs/dbraw/zinc/78/96/74/350789674.db2.gz WSYXCAWARYMLPV-LBPRGKRZSA-N 1 0 226.323 3.092 10 0 BGAERO c1ccc2cc([C@H]3CCCC[NH2+]C3)ncc2c1 ZINC000616603605 350790184 /nfs/dbraw/zinc/79/01/84/350790184.db2.gz XFCLVALPJSZFHS-AWEZNQCLSA-N 1 0 226.323 3.092 10 0 BGAERO c1cnc2cc([C@H]3CCCC[NH2+]C3)ccc2c1 ZINC000616603620 350790239 /nfs/dbraw/zinc/79/02/39/350790239.db2.gz XKRRZTKUANJMQI-AWEZNQCLSA-N 1 0 226.323 3.092 10 0 BGAERO c1cc2cc([C@H]3CCCC[NH2+]C3)ccc2cn1 ZINC000616603627 350790202 /nfs/dbraw/zinc/79/02/02/350790202.db2.gz XLGXIDVATNQDFR-AWEZNQCLSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ncco2)C1 ZINC000616603732 350790219 /nfs/dbraw/zinc/79/02/19/350790219.db2.gz HDUCLBDHDAKXBG-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H](c2cccnc2)C1 ZINC000616603742 350790223 /nfs/dbraw/zinc/79/02/23/350790223.db2.gz HGGXQAMECHECAU-AWEZNQCLSA-N 1 0 218.344 3.060 10 0 BGAERO c1ccc2nc([C@@H]3CCC[NH2+]CC3)ccc2c1 ZINC000616603817 350795858 /nfs/dbraw/zinc/79/58/58/350795858.db2.gz WXPGLYVOIZMGQE-CYBMUJFWSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cccc(N)n2)C1 ZINC000616603827 384807547 /nfs/dbraw/zinc/80/75/47/384807547.db2.gz IRVLICGWUKAOAZ-LBPRGKRZSA-N 1 0 247.386 3.032 10 0 BGAERO c1cc2ccc([C@@H]3CCC[NH2+]CC3)cc2cn1 ZINC000616603872 350795695 /nfs/dbraw/zinc/79/56/95/350795695.db2.gz XKYJWBZFQMWBKB-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616603944 350795504 /nfs/dbraw/zinc/79/55/04/350795504.db2.gz KPAVRQLMORGWKI-AWEZNQCLSA-N 1 0 232.371 3.450 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2ccc3ncccc3c2)C1 ZINC000616603997 350791964 /nfs/dbraw/zinc/79/19/64/350791964.db2.gz YZLAMBUMGZTISJ-HNNXBMFYSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616604004 350792877 /nfs/dbraw/zinc/79/28/77/350792877.db2.gz ZFPGZOYSCYEZMB-AWEZNQCLSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ncccn1 ZINC000616604071 350792866 /nfs/dbraw/zinc/79/28/66/350792866.db2.gz AGZXOFHPCRAXOP-GFCCVEGCSA-N 1 0 233.359 3.192 10 0 BGAERO C[N@@H+]1CCCCC[C@@H]1c1cc2ccccc2nn1 ZINC000616604217 350792591 /nfs/dbraw/zinc/79/25/91/350792591.db2.gz BMIQKENCCHOIQQ-OAHLLOKOSA-N 1 0 241.338 3.177 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cnco2)C1 ZINC000616604288 369100853 /nfs/dbraw/zinc/10/08/53/369100853.db2.gz KXACDADTOIUDTK-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H](c2cccc(CO)c2)C1 ZINC000616604318 350792794 /nfs/dbraw/zinc/79/27/94/350792794.db2.gz LZNYBSWWWXBJOH-INIZCTEOSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1c[nH]cn1 ZINC000616604329 350792716 /nfs/dbraw/zinc/79/27/16/350792716.db2.gz CDMFTPXBDLHXDS-GFCCVEGCSA-N 1 0 221.348 3.125 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ccno2)C1 ZINC000616604335 350792474 /nfs/dbraw/zinc/79/24/74/350792474.db2.gz MHJCXUCESODLHP-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616604360 350793286 /nfs/dbraw/zinc/79/32/86/350793286.db2.gz CUEFOERTHRYKPV-CQSZACIVSA-N 1 0 232.371 3.450 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2cocn2)C1 ZINC000616604412 350793299 /nfs/dbraw/zinc/79/32/99/350793299.db2.gz NNYJVOIIFCWAHD-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H](c2ccc(N)cc2)C1 ZINC000616604438 350793215 /nfs/dbraw/zinc/79/32/15/350793215.db2.gz OQHACJSHRUPWQY-AWEZNQCLSA-N 1 0 232.371 3.247 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](c2ccon2)C1 ZINC000616604464 350793356 /nfs/dbraw/zinc/79/33/56/350793356.db2.gz PQWBQYMAHWAXPN-NSHDSACASA-N 1 0 222.332 3.043 10 0 BGAERO C[N@@H+]1CCCCC[C@@H]1c1cccc2nnccc21 ZINC000616604469 350793278 /nfs/dbraw/zinc/79/32/78/350793278.db2.gz DGNZXJRBBDBNHW-OAHLLOKOSA-N 1 0 241.338 3.177 10 0 BGAERO CC[N@@H+]1CCCC[C@@H](c2ccc(F)cc2)C1 ZINC000616604471 350793469 /nfs/dbraw/zinc/79/34/69/350793469.db2.gz DSBBIPBCJGDFTI-CYBMUJFWSA-N 1 0 221.319 3.415 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccnc(N)c1 ZINC000616604507 350793452 /nfs/dbraw/zinc/79/34/52/350793452.db2.gz DUFMDDHHIVRYFD-CYBMUJFWSA-N 1 0 247.386 3.210 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](OC(F)(F)F)C1 ZINC000616604873 350793339 /nfs/dbraw/zinc/79/33/39/350793339.db2.gz RTCVYPWNSHHSFY-VIFPVBQESA-N 1 0 239.281 3.176 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H](c2cccc(N)c2)C1 ZINC000616604875 350793428 /nfs/dbraw/zinc/79/34/28/350793428.db2.gz RZTBGIBOYOBZDK-AWEZNQCLSA-N 1 0 232.371 3.247 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H](c2ccc(CO)cc2)C1 ZINC000616604884 350793315 /nfs/dbraw/zinc/79/33/15/350793315.db2.gz SKENWMFIFMJRFA-INIZCTEOSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H](C(F)(F)F)C1 ZINC000616604893 350793302 /nfs/dbraw/zinc/79/33/02/350793302.db2.gz SYHGPRLWGUERLG-VIFPVBQESA-N 1 0 209.255 3.059 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616604914 350793497 /nfs/dbraw/zinc/79/34/97/350793497.db2.gz GUKQJOIIIYWNAR-OAHLLOKOSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2cccc3ccncc32)C1 ZINC000616604918 350793665 /nfs/dbraw/zinc/79/36/65/350793665.db2.gz HBHKIRZSENUNSE-CQSZACIVSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H](c2ccncc2)C1 ZINC000616604928 350794293 /nfs/dbraw/zinc/79/42/93/350794293.db2.gz UMSYINHSZAZWMU-AWEZNQCLSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H](C(F)(F)F)C1 ZINC000616604941 350794191 /nfs/dbraw/zinc/79/41/91/350794191.db2.gz VCXNXYKDQVPXHO-VIFPVBQESA-N 1 0 223.282 3.449 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616604969 350794156 /nfs/dbraw/zinc/79/41/56/350794156.db2.gz HWRWCEJEERAWQP-MRXNPFEDSA-N 1 0 240.350 3.434 10 0 BGAERO CC[N@@H+]1CCCC[C@@H](c2ccc(NC)cc2)C1 ZINC000616604975 350794158 /nfs/dbraw/zinc/79/41/58/350794158.db2.gz IJOXCSFHHOBWHY-CQSZACIVSA-N 1 0 232.371 3.318 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cccc(N)n2)C1 ZINC000616604982 350794247 /nfs/dbraw/zinc/79/42/47/350794247.db2.gz IRVLICGWUKAOAZ-GFCCVEGCSA-N 1 0 247.386 3.032 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cccnc2N)C1 ZINC000616604983 350794166 /nfs/dbraw/zinc/79/41/66/350794166.db2.gz IRYYGBDQVGTJPW-GFCCVEGCSA-N 1 0 247.386 3.032 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616605039 350794262 /nfs/dbraw/zinc/79/42/62/350794262.db2.gz KPAVRQLMORGWKI-CQSZACIVSA-N 1 0 232.371 3.450 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cccnn1 ZINC000616605131 350794271 /nfs/dbraw/zinc/79/42/71/350794271.db2.gz HBVFBYFKHIDSAI-CYBMUJFWSA-N 1 0 233.359 3.192 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cocn1 ZINC000616605354 350794866 /nfs/dbraw/zinc/79/48/66/350794866.db2.gz KGRZPUONZGYHPB-GFCCVEGCSA-N 1 0 222.332 3.390 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H](c2ccccn2)C1 ZINC000616605388 350794939 /nfs/dbraw/zinc/79/49/39/350794939.db2.gz ZYXFHPWCVNWRBZ-ZDUSSCGKSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccc(N)cc2)C1 ZINC000616605420 350794851 /nfs/dbraw/zinc/79/48/51/350794851.db2.gz OQHACJSHRUPWQY-CQSZACIVSA-N 1 0 232.371 3.247 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2cccc3cnccc32)C1 ZINC000616605448 350795018 /nfs/dbraw/zinc/79/50/18/350795018.db2.gz PNKGPYHYISIBIY-CQSZACIVSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccno1 ZINC000616605458 350794953 /nfs/dbraw/zinc/79/49/53/350794953.db2.gz KZDBMTJJTWTMDU-LLVKDONJSA-N 1 0 222.332 3.390 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cnoc1 ZINC000616605563 350794965 /nfs/dbraw/zinc/79/49/65/350794965.db2.gz MOMCZCYWLNNIKX-GFCCVEGCSA-N 1 0 222.332 3.390 10 0 BGAERO CC[N@@H+]1CCCC[C@@H](c2ccccc2OC)C1 ZINC000616605600 350795067 /nfs/dbraw/zinc/79/50/67/350795067.db2.gz QMYKUOKOCBHGTB-CYBMUJFWSA-N 1 0 233.355 3.285 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccnnc1 ZINC000616605604 350794996 /nfs/dbraw/zinc/79/49/96/350794996.db2.gz NQXOYCNJFFISCD-CYBMUJFWSA-N 1 0 233.359 3.192 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cncnc1 ZINC000616605610 350794991 /nfs/dbraw/zinc/79/49/91/350794991.db2.gz NUDLLWMLBIGEJO-CYBMUJFWSA-N 1 0 233.359 3.192 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cn[nH]c1 ZINC000616605612 350795012 /nfs/dbraw/zinc/79/50/12/350795012.db2.gz NVRSWCHVOXBNQW-GFCCVEGCSA-N 1 0 221.348 3.125 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2cccc3cccnc32)C1 ZINC000616605615 350795027 /nfs/dbraw/zinc/79/50/27/350795027.db2.gz QUYKBNQSHSDTLB-CQSZACIVSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cccc(N)n1 ZINC000616605749 350795004 /nfs/dbraw/zinc/79/50/04/350795004.db2.gz QDIKIXQNYIIWKG-CYBMUJFWSA-N 1 0 247.386 3.379 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cnco1 ZINC000616605753 350794989 /nfs/dbraw/zinc/79/49/89/350794989.db2.gz QFNDTJSTCQHQEF-LLVKDONJSA-N 1 0 222.332 3.390 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccc(N)nc1 ZINC000616605769 350794987 /nfs/dbraw/zinc/79/49/87/350794987.db2.gz QUXOAGRTQYPGSK-CYBMUJFWSA-N 1 0 247.386 3.210 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccon1 ZINC000616605770 350795089 /nfs/dbraw/zinc/79/50/89/350795089.db2.gz QVSSUGHZPWQSOU-GFCCVEGCSA-N 1 0 222.332 3.390 10 0 BGAERO CC[N@@H+]1CCCC[C@@H](c2ccccc2F)C1 ZINC000616605814 350794970 /nfs/dbraw/zinc/79/49/70/350794970.db2.gz VOJBOKWYJZELDN-GFCCVEGCSA-N 1 0 221.319 3.415 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ncco1 ZINC000616605917 350794251 /nfs/dbraw/zinc/79/42/51/350794251.db2.gz RETVNANKNQJNSV-LLVKDONJSA-N 1 0 222.332 3.390 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1C(F)F ZINC000616605939 350796582 /nfs/dbraw/zinc/79/65/82/350796582.db2.gz RPDWJRVYNCTQIY-SECBINFHSA-N 1 0 205.292 3.295 10 0 BGAERO c1cnc2ccc([C@@H]3CCCC[NH2+]C3)cc2c1 ZINC000616605951 350796246 /nfs/dbraw/zinc/79/62/46/350796246.db2.gz SCYGCPAHTDBFBU-CQSZACIVSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1ccncn1 ZINC000616605998 350796660 /nfs/dbraw/zinc/79/66/60/350796660.db2.gz UPYTZEYNRILYKZ-CYBMUJFWSA-N 1 0 233.359 3.192 10 0 BGAERO c1cnc2c(c1)cccc2[C@@H]1CCCC[NH2+]C1 ZINC000616606000 350796405 /nfs/dbraw/zinc/79/64/05/350796405.db2.gz UQVAXAQMTCVFKJ-CYBMUJFWSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cc[nH]n1 ZINC000616606033 350796340 /nfs/dbraw/zinc/79/63/40/350796340.db2.gz WNKDFWKOLNOIAU-GFCCVEGCSA-N 1 0 221.348 3.125 10 0 BGAERO c1cnc2cccc([C@@H]3CCCC[NH2+]C3)c2c1 ZINC000616606038 350796255 /nfs/dbraw/zinc/79/62/55/350796255.db2.gz WSYXCAWARYMLPV-GFCCVEGCSA-N 1 0 226.323 3.092 10 0 BGAERO c1cnc2cc([C@@H]3CCCC[NH2+]C3)ccc2c1 ZINC000616606066 350796670 /nfs/dbraw/zinc/79/66/70/350796670.db2.gz XKRRZTKUANJMQI-CQSZACIVSA-N 1 0 226.323 3.092 10 0 BGAERO CC(C)(C)[N@@H+]1CCCCC[C@@H]1c1cccnc1N ZINC000616606086 350796429 /nfs/dbraw/zinc/79/64/29/350796429.db2.gz YJLLBSMZWCJDOG-CYBMUJFWSA-N 1 0 247.386 3.379 10 0 BGAERO CC(=O)Nc1cccc([C@@H]2CCC[N@H+]2C(C)C)c1 ZINC000616606286 350797618 /nfs/dbraw/zinc/79/76/18/350797618.db2.gz FLVQYAGFEBVMLO-HNNXBMFYSA-N 1 0 246.354 3.190 10 0 BGAERO C[N@@H+]1CCC[C@@H]1c1cccc2cnccc21 ZINC000616606303 350797430 /nfs/dbraw/zinc/79/74/30/350797430.db2.gz AXAUNMOQRVAXGU-CQSZACIVSA-N 1 0 212.296 3.002 10 0 BGAERO CC[N@@H+]1CCC[C@H]1c1cc2ccccc2cn1 ZINC000616606307 350797655 /nfs/dbraw/zinc/79/76/55/350797655.db2.gz FQQFGNDBLOQCQD-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO COc1cccc([C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC000616606317 350797293 /nfs/dbraw/zinc/79/72/93/350797293.db2.gz FXBNARWFKPFYCD-AWEZNQCLSA-N 1 0 219.328 3.241 10 0 BGAERO CC[N@@H+]1CCC[C@@H]1c1cncc2ccccc21 ZINC000616606328 350797253 /nfs/dbraw/zinc/79/72/53/350797253.db2.gz BYOKIBARPFPEGF-OAHLLOKOSA-N 1 0 226.323 3.392 10 0 BGAERO CC[N@@H+]1CCC[C@@H]1c1cc2ccccc2cn1 ZINC000616606422 350797523 /nfs/dbraw/zinc/79/75/23/350797523.db2.gz FQQFGNDBLOQCQD-OAHLLOKOSA-N 1 0 226.323 3.392 10 0 BGAERO COc1cccc([C@H]2CCC[N@@H+]2C(C)C)c1 ZINC000616606426 350797362 /nfs/dbraw/zinc/79/73/62/350797362.db2.gz FXBNARWFKPFYCD-CQSZACIVSA-N 1 0 219.328 3.241 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc2nnccc2c1 ZINC000616606428 350797263 /nfs/dbraw/zinc/79/72/63/350797263.db2.gz GCQVJHMNLQWMIE-OAHLLOKOSA-N 1 0 241.338 3.175 10 0 BGAERO CC(C)[N@@H+]1CCC[C@@H]1c1ccc2ccnnc2c1 ZINC000616606447 350797251 /nfs/dbraw/zinc/79/72/51/350797251.db2.gz HNYVPQWHIUUSSK-OAHLLOKOSA-N 1 0 241.338 3.175 10 0 BGAERO CC[N@@H+]1CCC[C@@H]1c1ccc2cnccc2c1 ZINC000616606458 350797560 /nfs/dbraw/zinc/79/75/60/350797560.db2.gz IDAVFJHDODWMML-OAHLLOKOSA-N 1 0 226.323 3.392 10 0 BGAERO c1nocc1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616606490 350798398 /nfs/dbraw/zinc/79/83/98/350798398.db2.gz DPTRESVBMPDZTH-AWEZNQCLSA-N 1 0 228.295 3.012 10 0 BGAERO c1nocc1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000616606597 350798090 /nfs/dbraw/zinc/79/80/90/350798090.db2.gz DPTRESVBMPDZTH-CQSZACIVSA-N 1 0 228.295 3.012 10 0 BGAERO CC[N@@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616606749 350798289 /nfs/dbraw/zinc/79/82/89/350798289.db2.gz IDAVFJHDODWMML-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO CC[N@@H+]1CCC[C@H]1c1ccc2ccncc2c1 ZINC000616606763 350798194 /nfs/dbraw/zinc/79/81/94/350798194.db2.gz IVPXVJKCIVBRNS-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO CCOC(=O)c1ccc([C@@H]2CCC[N@@H+]2CC)cc1 ZINC000616606802 350798134 /nfs/dbraw/zinc/79/81/34/350798134.db2.gz JSIKJZCAMRWABQ-AWEZNQCLSA-N 1 0 247.338 3.020 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H]1c1ccccc1N ZINC000616606812 350797990 /nfs/dbraw/zinc/79/79/90/350797990.db2.gz IOPCPLOGYYFBGQ-CYBMUJFWSA-N 1 0 218.344 3.204 10 0 BGAERO C[N@@H+]1CCC[C@H]1c1ccc2cccnc2c1 ZINC000616606819 350798454 /nfs/dbraw/zinc/79/84/54/350798454.db2.gz KGYGEGRVXHYTEK-AWEZNQCLSA-N 1 0 212.296 3.002 10 0 BGAERO C[N@@H+]1CCC[C@H]1c1ccc2cnccc2c1 ZINC000616606826 350799478 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/nfs/dbraw/zinc/82/72/44/350827244.db2.gz IFFNFMZNTDSPET-OAHLLOKOSA-N 1 0 226.323 3.392 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccncc1 ZINC000616614102 350827692 /nfs/dbraw/zinc/82/76/92/350827692.db2.gz IKZNVXVUDKJWFR-CYBMUJFWSA-N 1 0 218.344 3.407 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H]1c1cccc(CCO)c1 ZINC000616614111 350827894 /nfs/dbraw/zinc/82/78/94/350827894.db2.gz IRYGQCGCYIPYEV-MRXNPFEDSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)[N@@H+]1CC[C@@H](c2ccc3cccnc3c2)C1 ZINC000616614112 350827902 /nfs/dbraw/zinc/82/79/02/350827902.db2.gz DIUXCDNGVLAIRH-OAHLLOKOSA-N 1 0 240.350 3.433 10 0 BGAERO CC(C)[N@@H+]1CC[C@@H](c2cccc3cccnc32)C1 ZINC000616614126 350827888 /nfs/dbraw/zinc/82/78/88/350827888.db2.gz DQJCKLDBEXKUJY-CQSZACIVSA-N 1 0 240.350 3.433 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccccc1CCO ZINC000616614135 350826943 /nfs/dbraw/zinc/82/69/43/350826943.db2.gz JQXYDJWEEKZQRU-MRXNPFEDSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000616614142 350827225 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/nfs/dbraw/zinc/83/35/98/350833598.db2.gz OYNIENXYIVUOFO-CQSZACIVSA-N 1 0 218.344 3.275 10 0 BGAERO CC[N@@H+]1CCCC[C@@H]1c1ccc2nnccc2c1 ZINC000616614470 350833227 /nfs/dbraw/zinc/83/32/27/350833227.db2.gz PSKVLCHOMOBYMW-OAHLLOKOSA-N 1 0 241.338 3.177 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1c1ccc2cnccc2c1 ZINC000616614485 350833484 /nfs/dbraw/zinc/83/34/84/350833484.db2.gz QREHOMGDJOFNBL-OAHLLOKOSA-N 1 0 226.323 3.392 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1c1cc2ccccc2cn1 ZINC000616614513 350835553 /nfs/dbraw/zinc/83/55/53/350835553.db2.gz SRCOYOHDBCTKCE-OAHLLOKOSA-N 1 0 226.323 3.392 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1cocn1 ZINC000616614537 350835501 /nfs/dbraw/zinc/83/55/01/350835501.db2.gz UWGHFYDJDGEIFE-LLVKDONJSA-N 1 0 208.305 3.000 10 0 BGAERO CC(C)[N@@H+]1CC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616614547 350835560 /nfs/dbraw/zinc/83/55/60/350835560.db2.gz OMJIYMUDQBCKGJ-CQSZACIVSA-N 1 0 240.350 3.433 10 0 BGAERO CC(C)[N@@H+]1CC[C@@H](c2cc3ccccc3cn2)C1 ZINC000616614556 350835558 /nfs/dbraw/zinc/83/55/58/350835558.db2.gz PDUVBNSEFHSIPM-OAHLLOKOSA-N 1 0 240.350 3.433 10 0 BGAERO CNc1cccc([C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000616614561 350835556 /nfs/dbraw/zinc/83/55/56/350835556.db2.gz PNLIJUYINQCRLU-CYBMUJFWSA-N 1 0 232.371 3.316 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1c1cncc2ccccc21 ZINC000616614566 350835575 /nfs/dbraw/zinc/83/55/75/350835575.db2.gz VHOXBVYBGRSFQS-OAHLLOKOSA-N 1 0 226.323 3.392 10 0 BGAERO COc1ccc([C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000616614582 350835654 /nfs/dbraw/zinc/83/56/54/350835654.db2.gz QHDYDFDFFMURLS-CYBMUJFWSA-N 1 0 233.355 3.283 10 0 BGAERO CC(C)[N@@H+]1CC[C@@H](c2nccc3ccccc32)C1 ZINC000616614594 350836250 /nfs/dbraw/zinc/83/62/50/350836250.db2.gz QXZAGFIRNGSMPO-CQSZACIVSA-N 1 0 240.350 3.433 10 0 BGAERO CC(C)(C)[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1 ZINC000616614598 350835570 /nfs/dbraw/zinc/83/55/70/350835570.db2.gz RDRNBSNQOUKGPR-GFCCVEGCSA-N 1 0 221.319 3.414 10 0 BGAERO CC(C)(C)[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000616614622 350836465 /nfs/dbraw/zinc/83/64/65/350836465.db2.gz SLTRHHPBOLAGHO-GFCCVEGCSA-N 1 0 221.319 3.414 10 0 BGAERO CC(C)[N@@H+]1CC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616614625 350836049 /nfs/dbraw/zinc/83/60/49/350836049.db2.gz SPBNERZFXYVSBF-OAHLLOKOSA-N 1 0 240.350 3.433 10 0 BGAERO CC(C)[N@@H+]1CC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616614820 350839283 /nfs/dbraw/zinc/83/92/83/350839283.db2.gz WBNXETLWBREREL-MRXNPFEDSA-N 1 0 240.350 3.433 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ccno1 ZINC000616614827 386676974 /nfs/dbraw/zinc/67/69/74/386676974.db2.gz WRINHCIBNOLFFP-SNVBAGLBSA-N 1 0 208.305 3.000 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccccc1CO ZINC000616614881 350841300 /nfs/dbraw/zinc/84/13/00/350841300.db2.gz XHTOGXUPRQRNKC-OAHLLOKOSA-N 1 0 233.355 3.114 10 0 BGAERO CC(C)[N@@H+]1CC[C@@H](c2cccc3ccncc32)C1 ZINC000616614885 350841340 /nfs/dbraw/zinc/84/13/40/350841340.db2.gz ZQCKFLWVOWULEG-CQSZACIVSA-N 1 0 240.350 3.433 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1c1ccc2ccccc2n1 ZINC000616614909 350842055 /nfs/dbraw/zinc/84/20/55/350842055.db2.gz YWVGLYHOCWRXNZ-OAHLLOKOSA-N 1 0 226.323 3.392 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H]1c1ncco1 ZINC000616614910 350841757 /nfs/dbraw/zinc/84/17/57/350841757.db2.gz YZPGCUMPVVYAQH-SNVBAGLBSA-N 1 0 208.305 3.000 10 0 BGAERO C[N@@H+]1CCCC[C@@H]1c1cccc2cccnc21 ZINC000616614915 350841920 /nfs/dbraw/zinc/84/19/20/350841920.db2.gz ZJBDVMXGQOOALC-CQSZACIVSA-N 1 0 226.323 3.392 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H]1c1ccc(CO)cc1 ZINC000616614924 350841849 /nfs/dbraw/zinc/84/18/49/350841849.db2.gz ZZYYWRVCEPWCQS-OAHLLOKOSA-N 1 0 233.355 3.114 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1cccc(NC(C)=O)c1 ZINC000616615042 350844646 /nfs/dbraw/zinc/84/46/46/350844646.db2.gz AGLZWBVEUDWQMT-HNNXBMFYSA-N 1 0 246.354 3.192 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1ccc(NC(C)=O)cc1 ZINC000616615060 350844727 /nfs/dbraw/zinc/84/47/27/350844727.db2.gz ARGPKFHZPQBERH-HNNXBMFYSA-N 1 0 246.354 3.192 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cnoc1 ZINC000616615071 350844610 /nfs/dbraw/zinc/84/46/10/350844610.db2.gz BHQNKNUQYAGNQA-NSHDSACASA-N 1 0 208.305 3.000 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1cc2ccccc2nn1 ZINC000616615079 350844546 /nfs/dbraw/zinc/84/45/46/350844546.db2.gz BIPHWLSCFVZBPJ-HNNXBMFYSA-N 1 0 241.338 3.177 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccccc1N ZINC000616615088 350844947 /nfs/dbraw/zinc/84/49/47/350844947.db2.gz BUCZCFWKJONAHS-AWEZNQCLSA-N 1 0 218.344 3.204 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccccn1 ZINC000616615092 350844925 /nfs/dbraw/zinc/84/49/25/350844925.db2.gz CBWDDUSGFMBSMC-ZDUSSCGKSA-N 1 0 218.344 3.407 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(CCO)cc1 ZINC000616615112 350845365 /nfs/dbraw/zinc/84/53/65/350845365.db2.gz CPDMLCANXOXHHZ-INIZCTEOSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H]1c1cccc(CO)c1 ZINC000616615119 350845538 /nfs/dbraw/zinc/84/55/38/350845538.db2.gz CZIIHUGHPPBHNC-HNNXBMFYSA-N 1 0 233.355 3.114 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1cccc2ccnnc21 ZINC000616615143 350845544 /nfs/dbraw/zinc/84/55/44/350845544.db2.gz DOCMNMNOKXRPSW-AWEZNQCLSA-N 1 0 241.338 3.177 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1cccc2nnccc21 ZINC000616615192 350845469 /nfs/dbraw/zinc/84/54/69/350845469.db2.gz FUVGIPJKNVFFLJ-HNNXBMFYSA-N 1 0 241.338 3.177 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1ccc2cccnc2c1 ZINC000616615195 350845575 /nfs/dbraw/zinc/84/55/75/350845575.db2.gz FXZPJUYAKIDGSG-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1cnnc2ccccc21 ZINC000616615219 350846182 /nfs/dbraw/zinc/84/61/82/350846182.db2.gz GREBOKYSOHPQEJ-HNNXBMFYSA-N 1 0 241.338 3.177 10 0 BGAERO CCOC(=O)c1cccc([C@@H]2CCCC[N@@H+]2C)c1 ZINC000616615366 398174543 /nfs/dbraw/zinc/17/45/43/398174543.db2.gz HUEXPVWYYJQEHB-AWEZNQCLSA-N 1 0 247.338 3.020 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1ccc(NC)cc1 ZINC000616615372 398174808 /nfs/dbraw/zinc/17/48/08/398174808.db2.gz HWDMQJOBVGFZNN-AWEZNQCLSA-N 1 0 218.344 3.275 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1cccc2cnccc21 ZINC000616615382 398174673 /nfs/dbraw/zinc/17/46/73/398174673.db2.gz IFFNFMZNTDSPET-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1cccc2ncccc21 ZINC000616615385 350846895 /nfs/dbraw/zinc/84/68/95/350846895.db2.gz IGHJNWSWSYUWBD-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccncc1 ZINC000616615394 350847063 /nfs/dbraw/zinc/84/70/63/350847063.db2.gz IKZNVXVUDKJWFR-ZDUSSCGKSA-N 1 0 218.344 3.407 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H]1c1cccc(CCO)c1 ZINC000616615402 350846621 /nfs/dbraw/zinc/84/66/21/350846621.db2.gz IRYGQCGCYIPYEV-INIZCTEOSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccon1 ZINC000616615446 350847122 /nfs/dbraw/zinc/84/71/22/350847122.db2.gz KVKGINBPHVKEQY-NSHDSACASA-N 1 0 208.305 3.000 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1ccc2ccnnc2c1 ZINC000616615459 398174432 /nfs/dbraw/zinc/17/44/32/398174432.db2.gz LCUFLOIQSATTPC-HNNXBMFYSA-N 1 0 241.338 3.177 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1ccc2ccncc2c1 ZINC000616615463 350846519 /nfs/dbraw/zinc/84/65/19/350846519.db2.gz LEMQEGJSAODEMK-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1cccc(NC)c1 ZINC000616615473 350847805 /nfs/dbraw/zinc/84/78/05/350847805.db2.gz LWJMXPJQYYILIS-AWEZNQCLSA-N 1 0 218.344 3.275 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1cccc(F)c1 ZINC000616615483 350847879 /nfs/dbraw/zinc/84/78/79/350847879.db2.gz NAPYNUJOIALOJQ-ZDUSSCGKSA-N 1 0 207.292 3.373 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cnco1 ZINC000616615506 350847948 /nfs/dbraw/zinc/84/79/48/350847948.db2.gz NZLKKKZCJGLQHL-JTQLQIEISA-N 1 0 208.305 3.000 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1ccccc1Cl ZINC000616615511 350847730 /nfs/dbraw/zinc/84/77/30/350847730.db2.gz OLCVGVNUWSVMHN-LBPRGKRZSA-N 1 0 209.720 3.497 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1ccccc1NC ZINC000616615520 350847970 /nfs/dbraw/zinc/84/79/70/350847970.db2.gz OYNIENXYIVUOFO-AWEZNQCLSA-N 1 0 218.344 3.275 10 0 BGAERO CC[N@@H+]1CCCC[C@H]1c1ccc2nnccc2c1 ZINC000616615731 350849497 /nfs/dbraw/zinc/84/94/97/350849497.db2.gz PSKVLCHOMOBYMW-HNNXBMFYSA-N 1 0 241.338 3.177 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1ccc2cnccc2c1 ZINC000616615757 350850351 /nfs/dbraw/zinc/85/03/51/350850351.db2.gz QREHOMGDJOFNBL-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1cc2ccccc2cn1 ZINC000616615795 411390644 /nfs/dbraw/zinc/39/06/44/411390644.db2.gz SRCOYOHDBCTKCE-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1cocn1 ZINC000616615834 350851221 /nfs/dbraw/zinc/85/12/21/350851221.db2.gz UWGHFYDJDGEIFE-NSHDSACASA-N 1 0 208.305 3.000 10 0 BGAERO CCOC(=O)c1ccc([C@@H]2CCCC[N@@H+]2C)cc1 ZINC000616615851 350851332 /nfs/dbraw/zinc/85/13/32/350851332.db2.gz VVVLGHPTTDGCDR-AWEZNQCLSA-N 1 0 247.338 3.020 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ccno1 ZINC000616615870 350850597 /nfs/dbraw/zinc/85/05/97/350850597.db2.gz WRINHCIBNOLFFP-JTQLQIEISA-N 1 0 208.305 3.000 10 0 BGAERO CCOC(=O)c1ccccc1[C@@H]1CCCC[N@@H+]1C ZINC000616616062 350853420 /nfs/dbraw/zinc/85/34/20/350853420.db2.gz YTJILRHFMDZIQD-AWEZNQCLSA-N 1 0 247.338 3.020 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1ccc2ccccc2n1 ZINC000616616069 350853209 /nfs/dbraw/zinc/85/32/09/350853209.db2.gz YWVGLYHOCWRXNZ-HNNXBMFYSA-N 1 0 226.323 3.392 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@H]1c1ncco1 ZINC000616616073 350853241 /nfs/dbraw/zinc/85/32/41/350853241.db2.gz YZPGCUMPVVYAQH-JTQLQIEISA-N 1 0 208.305 3.000 10 0 BGAERO C[N@@H+]1CCCC[C@H]1c1cccc2cccnc21 ZINC000616616081 350853161 /nfs/dbraw/zinc/85/31/61/350853161.db2.gz ZJBDVMXGQOOALC-AWEZNQCLSA-N 1 0 226.323 3.392 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@H]1c1ccc(CO)cc1 ZINC000616616089 350853983 /nfs/dbraw/zinc/85/39/83/350853983.db2.gz ZZYYWRVCEPWCQS-HNNXBMFYSA-N 1 0 233.355 3.114 10 0 BGAERO c1ncc([C@@H]2CCCC[N@H+]2Cc2ccccc2)[nH]1 ZINC000616616212 350854583 /nfs/dbraw/zinc/85/45/83/350854583.db2.gz BEQSIGOJCRNHDU-HNNXBMFYSA-N 1 0 241.338 3.137 10 0 BGAERO c1cc([C@@H]2CCCC[N@H+]2Cc2ccccc2)on1 ZINC000616616637 350856905 /nfs/dbraw/zinc/85/69/05/350856905.db2.gz LTYACNGTVSSUIU-AWEZNQCLSA-N 1 0 242.322 3.402 10 0 BGAERO c1nc([C@@H]2CCCCN2Cc2ccccc2)co1 ZINC000616616787 350858653 /nfs/dbraw/zinc/85/86/53/350858653.db2.gz PYSYKRBPGLUABR-HNNXBMFYSA-N 1 0 242.322 3.402 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616616942 350857520 /nfs/dbraw/zinc/85/75/20/350857520.db2.gz AKGIRYFYDQQWQR-CQSZACIVSA-N 1 0 240.350 3.434 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2ccc3cnccc3c2)C1 ZINC000616616947 350858318 /nfs/dbraw/zinc/85/83/18/350858318.db2.gz APURWMVIFLDUEA-MRXNPFEDSA-N 1 0 240.350 3.434 10 0 BGAERO CNc1ccc([C@@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000616616965 386761606 /nfs/dbraw/zinc/76/16/06/386761606.db2.gz BYTBIBWNKFCVHV-CQSZACIVSA-N 1 0 232.371 3.316 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616616969 386760124 /nfs/dbraw/zinc/76/01/24/386760124.db2.gz CEMIDYKWQYTWRW-OAHLLOKOSA-N 1 0 240.350 3.434 10 0 BGAERO CNc1ccccc1[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000616616970 350860594 /nfs/dbraw/zinc/86/05/94/350860594.db2.gz CIICPVMBRUSOTP-CYBMUJFWSA-N 1 0 232.371 3.316 10 0 BGAERO CC[N@@H+]1CCC[C@H](c2ccc3ccccc3n2)C1 ZINC000616616993 350859223 /nfs/dbraw/zinc/85/92/23/350859223.db2.gz AKGIRYFYDQQWQR-AWEZNQCLSA-N 1 0 240.350 3.434 10 0 BGAERO CC[N@@H+]1CCC[C@H](c2ccc3cnccc3c2)C1 ZINC000616617000 350859268 /nfs/dbraw/zinc/85/92/68/350859268.db2.gz APURWMVIFLDUEA-INIZCTEOSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCC[C@H](c2cc3ccccc3cn2)C1 ZINC000616617027 350859347 /nfs/dbraw/zinc/85/93/47/350859347.db2.gz BUXKETRQHJABLC-AWEZNQCLSA-N 1 0 226.323 3.044 10 0 BGAERO CNc1cccc([C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000616617028 350859212 /nfs/dbraw/zinc/85/92/12/350859212.db2.gz GBUHJKNHQMRPSW-CQSZACIVSA-N 1 0 232.371 3.316 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616617053 350862264 /nfs/dbraw/zinc/86/22/64/350862264.db2.gz HDKNRUFBXNSHQF-CQSZACIVSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCC[C@@H](c2cnc3ccccc3c2)C1 ZINC000616617055 350860538 /nfs/dbraw/zinc/86/05/38/350860538.db2.gz 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218.344 3.206 10 0 BGAERO CC[N@@H+]1CCCCC[C@H]1c1ccccc1N ZINC000616620348 350938280 /nfs/dbraw/zinc/93/82/80/350938280.db2.gz HKSSDTJUBKJWJX-AWEZNQCLSA-N 1 0 218.344 3.206 10 0 BGAERO CC(C)(C)[NH+]1CCC(c2ccccn2)CC1 ZINC000616620360 350938402 /nfs/dbraw/zinc/93/84/02/350938402.db2.gz XICJPTSGTGZGIX-UHFFFAOYSA-N 1 0 218.344 3.060 10 0 BGAERO CCOC(=O)c1ccccc1[C@@H]1CCCCC[NH2+]1 ZINC000616620440 350943228 /nfs/dbraw/zinc/94/32/28/350943228.db2.gz NVYYHTUHWIWPLG-AWEZNQCLSA-N 1 0 247.338 3.068 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccccn2)C1 ZINC000616620460 350943160 /nfs/dbraw/zinc/94/31/60/350943160.db2.gz KRJYYUPFSYLJQV-GFCCVEGCSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccccc2CO)C1 ZINC000616620511 350941890 /nfs/dbraw/zinc/94/18/90/350941890.db2.gz LCTITMVCFAUBBG-CYBMUJFWSA-N 1 0 247.382 3.157 10 0 BGAERO CCOC(=O)c1cccc([C@@H]2CCCCC[NH2+]2)c1 ZINC000616620529 350943373 /nfs/dbraw/zinc/94/33/73/350943373.db2.gz OZGCRCXPFJBVLS-AWEZNQCLSA-N 1 0 247.338 3.068 10 0 BGAERO c1nc(C2CC[NH+](Cc3ccccc3)CC2)co1 ZINC000616620723 350945078 /nfs/dbraw/zinc/94/50/78/350945078.db2.gz HBQBTVVCLUAKHH-UHFFFAOYSA-N 1 0 242.322 3.054 10 0 BGAERO CCOC(=O)c1ccc([C@@H]2CCCCC[NH2+]2)cc1 ZINC000616620729 343523238 /nfs/dbraw/zinc/52/32/38/343523238.db2.gz RLHWRTMGWDTDGN-AWEZNQCLSA-N 1 0 247.338 3.068 10 0 BGAERO c1cc(C2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000616620743 350944825 /nfs/dbraw/zinc/94/48/25/350944825.db2.gz HKRSFTKCRPLFFZ-UHFFFAOYSA-N 1 0 242.322 3.054 10 0 BGAERO c1ccc2cc([C@H]3CCCCC[NH2+]3)ncc2c1 ZINC000616620937 350946198 /nfs/dbraw/zinc/94/61/98/350946198.db2.gz AEXTXGCOLMQWRA-CQSZACIVSA-N 1 0 226.323 3.440 10 0 BGAERO CC[N@@H+]1CCCCC[C@H]1c1ccc(CCO)cc1 ZINC000616620945 350946019 /nfs/dbraw/zinc/94/60/19/350946019.db2.gz IGBKPFBABYPKPY-INIZCTEOSA-N 1 0 247.382 3.158 10 0 BGAERO CC[N@@H+]1CCCCC[C@H]1c1cccnc1 ZINC000616620988 350948411 /nfs/dbraw/zinc/94/84/11/350948411.db2.gz JGGMTYXSASHQFZ-ZDUSSCGKSA-N 1 0 204.317 3.019 10 0 BGAERO CC[N@@H+]1CCCCC[C@H]1c1cccc(CCO)c1 ZINC000616621073 350948813 /nfs/dbraw/zinc/94/88/13/350948813.db2.gz KCIZXAVAICTYKQ-INIZCTEOSA-N 1 0 247.382 3.158 10 0 BGAERO CC[N@@H+]1CCCCC[C@H]1c1cccc(CO)c1 ZINC000616621075 350948490 /nfs/dbraw/zinc/94/84/90/350948490.db2.gz KDLJCXHBAWAHBK-HNNXBMFYSA-N 1 0 233.355 3.116 10 0 BGAERO C[N@@H+]1CCCCC[C@H]1c1ccccc1F ZINC000616621103 350965738 /nfs/dbraw/zinc/96/57/38/350965738.db2.gz KRCQLQLAQXVJDU-ZDUSSCGKSA-N 1 0 207.292 3.373 10 0 BGAERO C[N@@H+]1CCCCC[C@H]1c1cccc2ccnnc21 ZINC000616621275 398195728 /nfs/dbraw/zinc/19/57/28/398195728.db2.gz MJHSVOMKYPHRCC-AWEZNQCLSA-N 1 0 241.338 3.177 10 0 BGAERO c1nocc1C1CC[NH+](Cc2ccccc2)CC1 ZINC000616621325 351027480 /nfs/dbraw/zinc/02/74/80/351027480.db2.gz OMTDVYCSCNJGNH-UHFFFAOYSA-N 1 0 242.322 3.054 10 0 BGAERO CC(C)(C)[N@@H+]1CCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616621647 351044572 /nfs/dbraw/zinc/04/45/72/351044572.db2.gz UPEWSPNRXVNUGC-OAHLLOKOSA-N 1 0 247.382 3.157 10 0 BGAERO COc1ccccc1[C@@H]1CCCCC[N@@H+]1C 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WRHHARUGGLLJQJ-HNNXBMFYSA-N 1 0 233.355 3.116 10 0 BGAERO CC(=O)Nc1ccc([C@@H]2CCCCC[N@H+]2C)cc1 ZINC000616622284 351086066 /nfs/dbraw/zinc/08/60/66/351086066.db2.gz XWQWOAWSKUSWOX-HNNXBMFYSA-N 1 0 246.354 3.192 10 0 BGAERO c1ccc2cc([C@@H]3CCCCC[NH2+]3)ncc2c1 ZINC000616622312 351086141 /nfs/dbraw/zinc/08/61/41/351086141.db2.gz AEXTXGCOLMQWRA-AWEZNQCLSA-N 1 0 226.323 3.440 10 0 BGAERO CNc1ccc([C@H]2CCCCC[N@@H+]2C)cc1 ZINC000616622366 351085996 /nfs/dbraw/zinc/08/59/96/351085996.db2.gz APVDTWHDIKYBAG-CQSZACIVSA-N 1 0 218.344 3.275 10 0 BGAERO COc1ccc([C@H]2CCCCC[N@@H+]2C)cc1 ZINC000616622391 351086131 /nfs/dbraw/zinc/08/61/31/351086131.db2.gz BAIJVXVERQVOBV-CQSZACIVSA-N 1 0 219.328 3.242 10 0 BGAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1ccno1 ZINC000616622398 351086163 /nfs/dbraw/zinc/08/61/63/351086163.db2.gz BEWAIJAATCOEMV-LLVKDONJSA-N 1 0 208.305 3.000 10 0 BGAERO c1cc2ccc([C@@H]3CCCCC[NH2+]3)cc2cn1 ZINC000616622444 351086126 /nfs/dbraw/zinc/08/61/26/351086126.db2.gz CXRDCTHNAULVSM-HNNXBMFYSA-N 1 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CCOC(=O)c1ccccc1[C@H]1CCCCC[NH2+]1 ZINC000616622695 351085221 /nfs/dbraw/zinc/08/52/21/351085221.db2.gz NVYYHTUHWIWPLG-CQSZACIVSA-N 1 0 247.338 3.068 10 0 BGAERO CC[N@@H+]1CCCCC[C@@H]1c1ccc(CCO)cc1 ZINC000616622831 351087595 /nfs/dbraw/zinc/08/75/95/351087595.db2.gz IGBKPFBABYPKPY-MRXNPFEDSA-N 1 0 247.382 3.158 10 0 BGAERO CC[N@@H+]1CCCCC[C@@H]1c1cccnc1 ZINC000616622863 351087445 /nfs/dbraw/zinc/08/74/45/351087445.db2.gz JGGMTYXSASHQFZ-CYBMUJFWSA-N 1 0 204.317 3.019 10 0 BGAERO CC[N@@H+]1CCCCC[C@@H]1c1cccc(CCO)c1 ZINC000616622933 351087357 /nfs/dbraw/zinc/08/73/57/351087357.db2.gz KCIZXAVAICTYKQ-MRXNPFEDSA-N 1 0 247.382 3.158 10 0 BGAERO CC[N@@H+]1CCCCC[C@@H]1c1cccc(CO)c1 ZINC000616622940 351087532 /nfs/dbraw/zinc/08/75/32/351087532.db2.gz KDLJCXHBAWAHBK-OAHLLOKOSA-N 1 0 233.355 3.116 10 0 BGAERO C[N@@H+]1CCCCC[C@@H]1c1ccccc1F ZINC000616622980 351088199 /nfs/dbraw/zinc/08/81/99/351088199.db2.gz KRCQLQLAQXVJDU-CYBMUJFWSA-N 1 0 207.292 3.373 10 0 BGAERO CC(C)[N@@H+]1CCCCC[C@@H]1c1ncco1 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/nfs/dbraw/zinc/19/36/25/351193625.db2.gz VZQVHTWIHUIBSX-CYBMUJFWSA-N 1 0 239.746 3.123 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2cccc3ncccc32)C1 ZINC000616653966 351194355 /nfs/dbraw/zinc/19/43/55/351194355.db2.gz GVSWYQQXBRWXJY-CYBMUJFWSA-N 1 0 240.350 3.434 10 0 BGAERO CC[N@@H+]1CCCC[C@@H](c2cccc(NC)c2)C1 ZINC000616653970 351194964 /nfs/dbraw/zinc/19/49/64/351194964.db2.gz HABARVBCJXGYAI-CQSZACIVSA-N 1 0 232.371 3.318 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2ncco2)C1 ZINC000616653975 351194755 /nfs/dbraw/zinc/19/47/55/351194755.db2.gz HDUCLBDHDAKXBG-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2cccnc2)C1 ZINC000616653980 351194819 /nfs/dbraw/zinc/19/48/19/351194819.db2.gz HGGXQAMECHECAU-CQSZACIVSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cnoc2)C1 ZINC000616653981 351194920 /nfs/dbraw/zinc/19/49/20/351194920.db2.gz HILKBSTUCXWCGX-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC[N@@H+]1CCCC[C@@H](c2ccccc2NC)C1 ZINC000616654003 351194824 /nfs/dbraw/zinc/19/48/24/351194824.db2.gz IUBJSGJWVIEXPX-CYBMUJFWSA-N 1 0 232.371 3.318 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2ccnc3ccccc32)C1 ZINC000616654047 351194407 /nfs/dbraw/zinc/19/44/07/351194407.db2.gz KKIOOOTWYBJGFU-CYBMUJFWSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cnco2)C1 ZINC000616654057 351194444 /nfs/dbraw/zinc/19/44/44/351194444.db2.gz KXACDADTOIUDTK-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccccc2CO)C1 ZINC000616654065 351194389 /nfs/dbraw/zinc/19/43/89/351194389.db2.gz LKQRFBJZLILPMI-CQSZACIVSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccccc2N)C1 ZINC000616654070 351194975 /nfs/dbraw/zinc/19/49/75/351194975.db2.gz LMTOEOXNYLWKEO-CYBMUJFWSA-N 1 0 232.371 3.247 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](Nc2ccccn2)C1 ZINC000616654078 351194707 /nfs/dbraw/zinc/19/47/07/351194707.db2.gz LYAGRPIODIULPO-CYBMUJFWSA-N 1 0 247.386 3.147 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2cccc(CO)c2)C1 ZINC000616654080 351194286 /nfs/dbraw/zinc/19/42/86/351194286.db2.gz LZNYBSWWWXBJOH-MRXNPFEDSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2ccno2)C1 ZINC000616654789 351190738 /nfs/dbraw/zinc/19/07/38/351190738.db2.gz MHJCXUCESODLHP-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2cncc3ccccc32)C1 ZINC000616654796 351191027 /nfs/dbraw/zinc/19/10/27/351191027.db2.gz MOAGNIDHYULTSD-CQSZACIVSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2cocn2)C1 ZINC000616654824 351191223 /nfs/dbraw/zinc/19/12/23/351191223.db2.gz NNYJVOIIFCWAHD-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](c2ccon2)C1 ZINC000616654854 351192063 /nfs/dbraw/zinc/19/20/63/351192063.db2.gz PQWBQYMAHWAXPN-LLVKDONJSA-N 1 0 222.332 3.043 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](OC(F)(F)F)C1 ZINC000616654903 351191855 /nfs/dbraw/zinc/19/18/55/351191855.db2.gz RTCVYPWNSHHSFY-SECBINFHSA-N 1 0 239.281 3.176 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2ccc3ccncc3c2)C1 ZINC000616654907 351191681 /nfs/dbraw/zinc/19/16/81/351191681.db2.gz RVWGDQNVHIBOTN-OAHLLOKOSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2cccc(N)c2)C1 ZINC000616654913 351192081 /nfs/dbraw/zinc/19/20/81/351192081.db2.gz RZTBGIBOYOBZDK-CQSZACIVSA-N 1 0 232.371 3.247 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccc(CO)cc2)C1 ZINC000616654920 351191614 /nfs/dbraw/zinc/19/16/14/351191614.db2.gz SKENWMFIFMJRFA-MRXNPFEDSA-N 1 0 247.382 3.157 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](C(F)(F)F)C1 ZINC000616654930 351191765 /nfs/dbraw/zinc/19/17/65/351191765.db2.gz SYHGPRLWGUERLG-SECBINFHSA-N 1 0 209.255 3.059 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2cccc(F)c2)C1 ZINC000616656218 351202530 /nfs/dbraw/zinc/20/25/30/351202530.db2.gz UMJBXOUOTSRGHX-GFCCVEGCSA-N 1 0 207.292 3.025 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccncc2)C1 ZINC000616656221 351202365 /nfs/dbraw/zinc/20/23/65/351202365.db2.gz UMSYINHSZAZWMU-CQSZACIVSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[N@@H+]1CCCC[C@@H](C(F)(F)F)C1 ZINC000616656274 351202581 /nfs/dbraw/zinc/20/25/81/351202581.db2.gz VCXNXYKDQVPXHO-SECBINFHSA-N 1 0 223.282 3.449 10 0 BGAERO CC[N@@H+]1CCCC[C@@H](c2cccc(OC)c2)C1 ZINC000616656365 351202374 /nfs/dbraw/zinc/20/23/74/351202374.db2.gz WHUHATLOSZRJKY-CQSZACIVSA-N 1 0 233.355 3.285 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2ccc3ncccc3c2)C1 ZINC000616657133 351198103 /nfs/dbraw/zinc/19/81/03/351198103.db2.gz YZLAMBUMGZTISJ-OAHLLOKOSA-N 1 0 240.350 3.434 10 0 BGAERO C[N@@H+]1CCCC[C@@H](c2ccc3ccccc3n2)C1 ZINC000616657137 351198353 /nfs/dbraw/zinc/19/83/53/351198353.db2.gz ZFPGZOYSCYEZMB-CQSZACIVSA-N 1 0 240.350 3.434 10 0 BGAERO CC(C)[N@@H+]1CCCC[C@@H](c2ccccn2)C1 ZINC000616657148 351198456 /nfs/dbraw/zinc/19/84/56/351198456.db2.gz ZYXFHPWCVNWRBZ-CYBMUJFWSA-N 1 0 218.344 3.060 10 0 BGAERO CC(C)(C)[C@@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616660869 351213340 /nfs/dbraw/zinc/21/33/40/351213340.db2.gz QPCYIGKGKZQZOK-HNNXBMFYSA-N 1 0 247.382 3.181 10 0 BGAERO CC(C)(C)[C@H]1COCC[N@H+](Cc2ccccc2)C1 ZINC000616663515 351216054 /nfs/dbraw/zinc/21/60/54/351216054.db2.gz QPCYIGKGKZQZOK-OAHLLOKOSA-N 1 0 247.382 3.181 10 0 BGAERO CC(C)(C)[C@@H]1CC[N@H+](Cc2ccccc2)CCO1 ZINC000616664746 351221068 /nfs/dbraw/zinc/22/10/68/351221068.db2.gz WACPKRRLOBJAIV-HNNXBMFYSA-N 1 0 247.382 3.324 10 0 BGAERO CC(C)N1CC[C@H](c2ncc[nH]2)c2ccccc21 ZINC000616674288 351238767 /nfs/dbraw/zinc/23/87/67/351238767.db2.gz CVILERZZJPABJE-ZDUSSCGKSA-N 1 0 241.338 3.160 10 0 BGAERO CC(C)N1CC[C@H](n2ccnc2)c2ccccc21 ZINC000616676449 351241099 /nfs/dbraw/zinc/24/10/99/351241099.db2.gz VZTTTZZCRDNCFW-AWEZNQCLSA-N 1 0 241.338 3.091 10 0 BGAERO CC(C)(C)N1CC[C@H](CC[NH3+])c2ccccc21 ZINC000616676537 351240924 /nfs/dbraw/zinc/24/09/24/351240924.db2.gz WYIXZENMEYNBQD-LBPRGKRZSA-N 1 0 232.371 3.128 10 0 BGAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1ccno1 ZINC000616678159 411413487 /nfs/dbraw/zinc/41/34/87/411413487.db2.gz AOAJPFKDQVKVIO-OAHLLOKOSA-N 1 0 242.322 3.031 10 0 BGAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1cccnc1 ZINC000616678205 397921331 /nfs/dbraw/zinc/92/13/31/397921331.db2.gz BQKLSPHXZGTMMA-INIZCTEOSA-N 1 0 238.334 3.049 10 0 BGAERO C[C@H]1c2ccccc2CC[N@@H+]1C(C)(C)C ZINC000616678288 351245855 /nfs/dbraw/zinc/24/58/55/351245855.db2.gz FUNLBGCASRZXAW-NSHDSACASA-N 1 0 203.329 3.404 10 0 BGAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1cnoc1 ZINC000616678521 351243822 /nfs/dbraw/zinc/24/38/22/351243822.db2.gz JCOJUIXTQHSECQ-HNNXBMFYSA-N 1 0 242.322 3.031 10 0 BGAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1cnoc1 ZINC000616678547 351243879 /nfs/dbraw/zinc/24/38/79/351243879.db2.gz JCOJUIXTQHSECQ-OAHLLOKOSA-N 1 0 242.322 3.031 10 0 BGAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1cccnc1 ZINC000616678688 351249544 /nfs/dbraw/zinc/24/95/44/351249544.db2.gz BQKLSPHXZGTMMA-MRXNPFEDSA-N 1 0 238.334 3.049 10 0 BGAERO CC(C)[N@@H+]1CCc2ccccc2[C@@H]1c1cnco1 ZINC000616679191 351250076 /nfs/dbraw/zinc/25/00/76/351250076.db2.gz RNYZBBMIBFECQA-OAHLLOKOSA-N 1 0 242.322 3.031 10 0 BGAERO CC(C)N1CCc2ccccc2[C@@H]1c1ccon1 ZINC000616679314 351250225 /nfs/dbraw/zinc/25/02/25/351250225.db2.gz TYWQYRUHIQUPLY-OAHLLOKOSA-N 1 0 242.322 3.031 10 0 BGAERO CC(C)[N@@H+]1CCc2ccccc2[C@H]1c1cnco1 ZINC000616679341 351250381 /nfs/dbraw/zinc/25/03/81/351250381.db2.gz RNYZBBMIBFECQA-HNNXBMFYSA-N 1 0 242.322 3.031 10 0 BGAERO CC[N@@H+]1CCc2ccccc2[C@@H]1c1ccccn1 ZINC000616679701 351246115 /nfs/dbraw/zinc/24/61/15/351246115.db2.gz YYUZTHXKIPHSSZ-MRXNPFEDSA-N 1 0 238.334 3.049 10 0 BGAERO C[N@@H+]1CCc2ccccc2[C@H]1c1cccc(F)c1 ZINC000616679747 351246156 /nfs/dbraw/zinc/24/61/56/351246156.db2.gz NZNSVNOZYOAUCY-MRXNPFEDSA-N 1 0 241.309 3.403 10 0 BGAERO CC[N@@H+]1CCc2ccccc2[C@H]1c1ccccn1 ZINC000616680543 351247912 /nfs/dbraw/zinc/24/79/12/351247912.db2.gz YYUZTHXKIPHSSZ-INIZCTEOSA-N 1 0 238.334 3.049 10 0 BGAERO CC[N@@H+]1CCO[C@H](c2cccc(Cl)c2)CC1 ZINC000616686959 351257414 /nfs/dbraw/zinc/25/74/14/351257414.db2.gz NDBMXVWNTJQJBD-ZDUSSCGKSA-N 1 0 239.746 3.123 10 0 BGAERO CC(C)C1([NH2+]Cc2cncc(Cl)c2)CC1 ZINC000621298185 370226300 /nfs/dbraw/zinc/22/63/00/370226300.db2.gz MGILYRWPEQBWGY-UHFFFAOYSA-N 1 0 224.735 3.013 10 0 BGAERO Clc1cncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000621312067 370236320 /nfs/dbraw/zinc/23/63/20/370236320.db2.gz IGORPRYAIFBETG-CYZMBNFOSA-N 1 0 236.746 3.013 10 0 BGAERO CC1CCC(C[NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621376908 370318518 /nfs/dbraw/zinc/31/85/18/370318518.db2.gz MCIJVUKKDJBKLA-HTAVTVPLSA-N 1 0 231.330 3.448 10 0 BGAERO CC1CCC(C[NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621376909 370318674 /nfs/dbraw/zinc/31/86/74/370318674.db2.gz MCIJVUKKDJBKLA-MCIGGMRASA-N 1 0 231.330 3.448 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CC2CC(C)C2)c1C ZINC000621771585 370513610 /nfs/dbraw/zinc/51/36/10/370513610.db2.gz FLKTUTLUBBHDLB-CVZZAPKMSA-N 1 0 249.402 3.217 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2CC(C)C2)c1C ZINC000621771586 370513477 /nfs/dbraw/zinc/51/34/77/370513477.db2.gz FLKTUTLUBBHDLB-IQLKVPPVSA-N 1 0 249.402 3.217 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000623402214 357053035 /nfs/dbraw/zinc/05/30/35/357053035.db2.gz BUVYOJZYHLYCBU-HTRCEHHLSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000623402215 357052885 /nfs/dbraw/zinc/05/28/85/357052885.db2.gz BUVYOJZYHLYCBU-POYBYMJQSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000623402216 357053060 /nfs/dbraw/zinc/05/30/60/357053060.db2.gz BUVYOJZYHLYCBU-SVRRBLITSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1ccsc1C(F)(F)F ZINC000623402217 357052841 /nfs/dbraw/zinc/05/28/41/357052841.db2.gz BUVYOJZYHLYCBU-XPUUQOCRSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623402295 357052953 /nfs/dbraw/zinc/05/29/53/357052953.db2.gz FNHDRFSRGQRVGA-LDWIPMOCSA-N 1 0 231.673 3.116 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623402296 357052573 /nfs/dbraw/zinc/05/25/73/357052573.db2.gz FNHDRFSRGQRVGA-LHLIQPBNSA-N 1 0 231.673 3.116 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623402297 357053288 /nfs/dbraw/zinc/05/32/88/357053288.db2.gz FNHDRFSRGQRVGA-QUBYGPBYSA-N 1 0 231.673 3.116 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1c(F)ccc(F)c1Cl ZINC000623402298 357053180 /nfs/dbraw/zinc/05/31/80/357053180.db2.gz FNHDRFSRGQRVGA-WKEGUHRASA-N 1 0 231.673 3.116 10 0 BGAERO C[C@@H]1C[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623402526 357053687 /nfs/dbraw/zinc/05/36/87/357053687.db2.gz OAEHXIVELWDLQJ-HTRCEHHLSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@H]1C[C@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623402527 357053836 /nfs/dbraw/zinc/05/38/36/357053836.db2.gz OAEHXIVELWDLQJ-POYBYMJQSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@@H]1C[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623402528 357053846 /nfs/dbraw/zinc/05/38/46/357053846.db2.gz OAEHXIVELWDLQJ-SVRRBLITSA-N 1 0 235.274 3.265 10 0 BGAERO C[C@H]1C[C@@H]1[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623402529 357053760 /nfs/dbraw/zinc/05/37/60/357053760.db2.gz OAEHXIVELWDLQJ-XPUUQOCRSA-N 1 0 235.274 3.265 10 0 BGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000623822693 347434746 /nfs/dbraw/zinc/43/47/46/347434746.db2.gz VJLSEWXOUWZULT-MQYQWHSLSA-N 1 0 239.403 3.216 10 0 BGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000623822694 347435011 /nfs/dbraw/zinc/43/50/11/347435011.db2.gz VJLSEWXOUWZULT-SYQHCUMBSA-N 1 0 239.403 3.216 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623918279 371153884 /nfs/dbraw/zinc/15/38/84/371153884.db2.gz NRERQLMPAQUJIP-AXFHLTTASA-N 1 0 224.373 3.291 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1nc(C)cs1 ZINC000623918280 371154136 /nfs/dbraw/zinc/15/41/36/371154136.db2.gz NRERQLMPAQUJIP-GMTAPVOTSA-N 1 0 224.373 3.291 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H](C)c1nc(C)cs1 ZINC000623918281 371154378 /nfs/dbraw/zinc/15/43/78/371154378.db2.gz NRERQLMPAQUJIP-HBNTYKKESA-N 1 0 224.373 3.291 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H](C)c1nc(C)cs1 ZINC000623918282 371153826 /nfs/dbraw/zinc/15/38/26/371153826.db2.gz NRERQLMPAQUJIP-MXWKQRLJSA-N 1 0 224.373 3.291 10 0 BGAERO CC(C)c1cccc(-c2ncc(C[NH3+])s2)c1 ZINC000629691829 361619129 /nfs/dbraw/zinc/61/91/29/361619129.db2.gz AXHCXXRKJWSSSW-UHFFFAOYSA-N 1 0 232.352 3.392 10 0 BGAERO CC(C)c1cccc(-c2cnn(CCC[NH3+])c2)c1 ZINC000629693038 361621604 /nfs/dbraw/zinc/62/16/04/361621604.db2.gz YOYRILNDGJUFBC-UHFFFAOYSA-N 1 0 243.354 3.022 10 0 BGAERO [NH3+]Cc1cnc(-c2ccc3c(c2)CCCC3)s1 ZINC000629694364 361629178 /nfs/dbraw/zinc/62/91/78/361629178.db2.gz JVAPIBYTOWKRNZ-UHFFFAOYSA-N 1 0 244.363 3.148 10 0 BGAERO Cc1ccc(-c2ccc3c(c2)CC[C@H]3[NH3+])o1 ZINC000629716704 361658907 /nfs/dbraw/zinc/65/89/07/361658907.db2.gz LKJGKWYZBRDBQE-CYBMUJFWSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1ccc(-c2ccc3c(c2)CC[C@@H]3[NH3+])o1 ZINC000629716705 361659078 /nfs/dbraw/zinc/65/90/78/361659078.db2.gz LKJGKWYZBRDBQE-ZDUSSCGKSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1ccc(-c2cccc3c2CC[C@H]3[NH3+])o1 ZINC000629718411 361660050 /nfs/dbraw/zinc/66/00/50/361660050.db2.gz YZKDGSKDNSOOIE-CYBMUJFWSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1ccc(-c2cccc3c2CC[C@@H]3[NH3+])o1 ZINC000629718412 361660480 /nfs/dbraw/zinc/66/04/80/361660480.db2.gz YZKDGSKDNSOOIE-ZDUSSCGKSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1coc(-c2ccc(C[C@@H](C)[NH3+])cc2)c1 ZINC000629735563 361672406 /nfs/dbraw/zinc/67/24/06/361672406.db2.gz AMMPTVWVWDIHNO-LLVKDONJSA-N 1 0 215.296 3.145 10 0 BGAERO Cc1coc(-c2ccc(C[C@H](C)[NH3+])cc2)c1 ZINC000629735564 361671868 /nfs/dbraw/zinc/67/18/68/361671868.db2.gz AMMPTVWVWDIHNO-NSHDSACASA-N 1 0 215.296 3.145 10 0 BGAERO Cc1coc(-c2cccc3c2CC[C@H]3[NH3+])c1 ZINC000629735796 361671880 /nfs/dbraw/zinc/67/18/80/361671880.db2.gz GMAHZMZSACNQAQ-CYBMUJFWSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1coc(-c2cccc3c2CC[C@@H]3[NH3+])c1 ZINC000629735797 361672013 /nfs/dbraw/zinc/67/20/13/361672013.db2.gz GMAHZMZSACNQAQ-ZDUSSCGKSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1coc(-c2ccc3c(c2)CC[C@H]3[NH3+])c1 ZINC000629736574 361675456 /nfs/dbraw/zinc/67/54/56/361675456.db2.gz RYUJILMRCOAJSP-CYBMUJFWSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1coc(-c2ccc3c(c2)CC[C@@H]3[NH3+])c1 ZINC000629736575 361675557 /nfs/dbraw/zinc/67/55/57/361675557.db2.gz RYUJILMRCOAJSP-ZDUSSCGKSA-N 1 0 213.280 3.201 10 0 BGAERO COCc1cc(-c2ccc(C[NH3+])c(C)c2)cs1 ZINC000629747093 361681853 /nfs/dbraw/zinc/68/18/53/361681853.db2.gz GMOSAHPSTRIEDL-UHFFFAOYSA-N 1 0 247.363 3.329 10 0 BGAERO COCc1cc(-c2ccc(CC[NH3+])cc2)cs1 ZINC000629747475 361681453 /nfs/dbraw/zinc/68/14/53/361681453.db2.gz HHAYYDAGSJQVHZ-UHFFFAOYSA-N 1 0 247.363 3.063 10 0 BGAERO COCc1cc(-c2cccc(CC[NH3+])c2)cs1 ZINC000629749120 361681543 /nfs/dbraw/zinc/68/15/43/361681543.db2.gz QTGJNBRJWXSIAJ-UHFFFAOYSA-N 1 0 247.363 3.063 10 0 BGAERO COCc1cc(-c2ccc(C[NH3+])cc2C)cs1 ZINC000629750341 361682948 /nfs/dbraw/zinc/68/29/48/361682948.db2.gz XLHAASFAJIXIBP-UHFFFAOYSA-N 1 0 247.363 3.329 10 0 BGAERO CCCc1ccccc1-c1ncc(C[NH3+])s1 ZINC000629764219 361688189 /nfs/dbraw/zinc/68/81/89/361688189.db2.gz WHVVBQQFJSDUNP-UHFFFAOYSA-N 1 0 232.352 3.221 10 0 BGAERO CC(C)[C@H]([NH3+])CCNc1nccc2ccccc21 ZINC000630519106 364202036 /nfs/dbraw/zinc/20/20/36/364202036.db2.gz NZTGRMXMGMPKGX-CQSZACIVSA-N 1 0 243.354 3.020 10 0 BGAERO COCc1cc(-c2cc(C[NH3+])ccc2C)cs1 ZINC000634576193 342781426 /nfs/dbraw/zinc/78/14/26/342781426.db2.gz LTMLPPBYYUWUKO-UHFFFAOYSA-N 1 0 247.363 3.329 10 0 BGAERO c1ccc2c(c1)OCC[C@H]2[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638282186 352120292 /nfs/dbraw/zinc/12/02/92/352120292.db2.gz MRBNNYHBWNUAQH-QVHKTLOISA-N 1 0 243.350 3.146 10 0 BGAERO c1ccc2c(c1)OCC[C@@H]2[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638282187 352120375 /nfs/dbraw/zinc/12/03/75/352120375.db2.gz MRBNNYHBWNUAQH-XFMPKHEZSA-N 1 0 243.350 3.146 10 0 BGAERO CC(C)C1(C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000639135229 353845036 /nfs/dbraw/zinc/84/50/36/353845036.db2.gz SGEWOCMXSYNWFU-BTTYYORXSA-N 1 0 239.403 3.216 10 0 BGAERO CC(C)C1(C[NH2+]CC2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000639135230 353844667 /nfs/dbraw/zinc/84/46/67/353844667.db2.gz SGEWOCMXSYNWFU-CHWSQXEVSA-N 1 0 239.403 3.216 10 0 BGAERO CC(C)C1(C[NH2+]CC2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000639135231 353844824 /nfs/dbraw/zinc/84/48/24/353844824.db2.gz SGEWOCMXSYNWFU-STQMWFEESA-N 1 0 239.403 3.216 10 0 BGAERO CCC(F)(F)C[NH2+]C1(C2CCC2)CCC1 ZINC000639670645 356586685 /nfs/dbraw/zinc/58/66/85/356586685.db2.gz FDAHJQSGYPHNPJ-UHFFFAOYSA-N 1 0 217.303 3.344 10 0 BGAERO C[C@@H](C[N@@H+]1CC[C@@H](O)C[C@H]1C)C1CCCCC1 ZINC000639938751 357944868 /nfs/dbraw/zinc/94/48/68/357944868.db2.gz KQUBFJBWOKLTOI-GZBFAFLISA-N 1 0 239.403 3.048 10 0 BGAERO C[C@@H]1C[C@H](O)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC000639940300 357951177 /nfs/dbraw/zinc/95/11/77/357951177.db2.gz WKEOXTOPXCFJSN-TZMCWYRMSA-N 1 0 239.403 3.048 10 0 BGAERO Oc1cccc2c1CC[C@@H]2[NH2+]CC1=CCCC1 ZINC000645924099 388036646 /nfs/dbraw/zinc/03/66/46/388036646.db2.gz HFYPMEHJJAOROU-AWEZNQCLSA-N 1 0 229.323 3.079 10 0 BGAERO Oc1cccc2c1CC[C@H]2[NH2+]CC1=CCCC1 ZINC000645924100 388037006 /nfs/dbraw/zinc/03/70/06/388037006.db2.gz HFYPMEHJJAOROU-CQSZACIVSA-N 1 0 229.323 3.079 10 0 BGAERO C(C[NH2+]C1(C2CCC2)CCC1)C[C@@H]1CCOC1 ZINC000645927864 388157639 /nfs/dbraw/zinc/15/76/39/388157639.db2.gz BDNJTGUWBKBPFG-CYBMUJFWSA-N 1 0 237.387 3.116 10 0 BGAERO C(C[NH2+]C1(C2CCC2)CCC1)C[C@H]1CCOC1 ZINC000645927865 388157392 /nfs/dbraw/zinc/15/73/92/388157392.db2.gz BDNJTGUWBKBPFG-ZDUSSCGKSA-N 1 0 237.387 3.116 10 0 BGAERO C1=C(C[NH2+]C2(C3CCC3)CCC2)CCC1 ZINC000645928113 388161242 /nfs/dbraw/zinc/16/12/42/388161242.db2.gz XKAXDZXLCSAABW-UHFFFAOYSA-N 1 0 205.345 3.409 10 0 BGAERO Cc1ccc(F)c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000646088750 388140002 /nfs/dbraw/zinc/14/00/02/388140002.db2.gz UKCNJBDFGAEUQK-NJZAAPMLSA-N 1 0 233.330 3.412 10 0 BGAERO Cc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089304 388140284 /nfs/dbraw/zinc/14/02/84/388140284.db2.gz NOTHMVUTARVOCK-NILFDRSVSA-N 1 0 233.330 3.412 10 0 BGAERO Fc1cccc(F)c1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089374 388140157 /nfs/dbraw/zinc/14/01/57/388140157.db2.gz PWMKWYVTWMBYNP-IMSIIYSGSA-N 1 0 237.293 3.243 10 0 BGAERO Clc1cnccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089380 388140314 /nfs/dbraw/zinc/14/03/14/388140314.db2.gz QBOSINCGXDRBJI-UFGOTCBOSA-N 1 0 236.746 3.013 10 0 BGAERO Cc1cc(F)ccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089483 388140133 /nfs/dbraw/zinc/14/01/33/388140133.db2.gz VMSOBFBXUGGMBA-NILFDRSVSA-N 1 0 233.330 3.412 10 0 BGAERO c1sc(C2CC2)nc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000646089944 388140135 /nfs/dbraw/zinc/14/01/35/388140135.db2.gz OBDOYNCEJCNOOW-CYZMBNFOSA-N 1 0 248.395 3.299 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000647208248 383824325 /nfs/dbraw/zinc/82/43/25/383824325.db2.gz HLCWWPGDAZTQLG-MWLCHTKSSA-N 1 0 217.303 3.343 10 0 BGAERO COc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1F ZINC000647252025 383893712 /nfs/dbraw/zinc/89/37/12/383893712.db2.gz RNSVSBGHAQZAHD-CYZMBNFOSA-N 1 0 249.329 3.113 10 0 BGAERO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1F ZINC000647252092 383894785 /nfs/dbraw/zinc/89/47/85/383894785.db2.gz UBAMEKWWABRKTQ-IACUBPJLSA-N 1 0 233.330 3.412 10 0 BGAERO C[C@H]([NH2+][C@@H]1CCC[C@H]2C[C@H]21)c1ccc(F)cn1 ZINC000647348364 384615705 /nfs/dbraw/zinc/61/57/05/384615705.db2.gz SGRJREBPBULQHP-BQSGVUBFSA-N 1 0 234.318 3.060 10 0 BGAERO C1[C@H]2CCC[C@H]([NH2+][C@H]3CCC34CCCC4)[C@@H]12 ZINC000647348373 384614972 /nfs/dbraw/zinc/61/49/72/384614972.db2.gz STPGFUISSKERGU-RFGFWPKPSA-N 1 0 219.372 3.487 10 0 BGAERO C1[C@H]2CCC[C@@H]([NH2+][C@H]3CCC34CCCC4)[C@@H]12 ZINC000647348374 384615281 /nfs/dbraw/zinc/61/52/81/384615281.db2.gz STPGFUISSKERGU-RQJABVFESA-N 1 0 219.372 3.487 10 0 BGAERO C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CCC34CCCC4)[C@@H]12 ZINC000647348375 384615289 /nfs/dbraw/zinc/61/52/89/384615289.db2.gz STPGFUISSKERGU-XJFOESAGSA-N 1 0 219.372 3.487 10 0 BGAERO C1[C@H]2CCC[C@H]([NH2+][C@@H]3CCC34CCCC4)[C@@H]12 ZINC000647348376 384614682 /nfs/dbraw/zinc/61/46/82/384614682.db2.gz STPGFUISSKERGU-ZOBORPQBSA-N 1 0 219.372 3.487 10 0 BGAERO c1cnc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000647348745 384616781 /nfs/dbraw/zinc/61/67/81/384616781.db2.gz RYQAAMGWUYFFIQ-BARDWOONSA-N 1 0 242.366 3.237 10 0 BGAERO C1[C@H]2CCC[C@@H]([NH2+]C3CC4(CCC4)C3)[C@@H]12 ZINC000648070245 386779216 /nfs/dbraw/zinc/77/92/16/386779216.db2.gz LRNNQMSKBRYISL-KGYLQXTDSA-N 1 0 205.345 3.097 10 0 BGAERO C1[C@H]2CCC[C@H]([NH2+]C3CC4(CCC4)C3)[C@@H]12 ZINC000648070248 386778680 /nfs/dbraw/zinc/77/86/80/386778680.db2.gz LRNNQMSKBRYISL-WXHSDQCUSA-N 1 0 205.345 3.097 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)cc(C)c1O ZINC000648070367 386779043 /nfs/dbraw/zinc/77/90/43/386779043.db2.gz VMXWBKSXECAFMN-RRFJBIMHSA-N 1 0 245.366 3.287 10 0 BGAERO C[C@@H]1C[C@H]([NH2+][C@H]2CCc3ccccc32)C[C@H](C)O1 ZINC000648407923 386553958 /nfs/dbraw/zinc/55/39/58/386553958.db2.gz RQDWJBFFJZABCP-DMEJVMROSA-N 1 0 245.366 3.220 10 0 BGAERO c1ccc2c(c1)C[C@@H]2C[NH2+]C1(C2CCC2)CC1 ZINC000649811576 398119623 /nfs/dbraw/zinc/11/96/23/398119623.db2.gz XFSDADSYHPCQPZ-CYBMUJFWSA-N 1 0 227.351 3.249 10 0 BGAERO c1ccc2c(c1)C[C@H]2C[NH2+]C1(C2CCC2)CC1 ZINC000649811577 398119734 /nfs/dbraw/zinc/11/97/34/398119734.db2.gz XFSDADSYHPCQPZ-ZDUSSCGKSA-N 1 0 227.351 3.249 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+][C@H](C1CC1)C1CCCC1 ZINC000651185005 410852758 /nfs/dbraw/zinc/85/27/58/410852758.db2.gz UYHQCGWXFNIEIT-GJZGRUSLSA-N 1 0 237.387 3.114 10 0 BGAERO C(C[C@@H]1CCCO1)[NH2+][C@@H](C1CC1)C1CCCC1 ZINC000651185007 410852186 /nfs/dbraw/zinc/85/21/86/410852186.db2.gz UYHQCGWXFNIEIT-LSDHHAIUSA-N 1 0 237.387 3.114 10 0 BGAERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CO ZINC000651717014 411138496 /nfs/dbraw/zinc/13/84/96/411138496.db2.gz QBTDLYUMZYCSAO-APIJFGDWSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1CO ZINC000651717015 411138405 /nfs/dbraw/zinc/13/84/05/411138405.db2.gz QBTDLYUMZYCSAO-CBBWQLFWSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCC[C@@H]1CO ZINC000651717016 411138356 /nfs/dbraw/zinc/13/83/56/411138356.db2.gz QBTDLYUMZYCSAO-KBXIAJHMSA-N 1 0 239.403 3.096 10 0 BGAERO C[C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCC[C@H]1CO ZINC000651717017 411138489 /nfs/dbraw/zinc/13/84/89/411138489.db2.gz QBTDLYUMZYCSAO-QPSCCSFWSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@H]([NH2+][C@H]1CC[C@H](C)SC1)C(C)C ZINC000655700268 411250606 /nfs/dbraw/zinc/25/06/06/411250606.db2.gz JKIAETSRBGPKLL-SRVKXCTJSA-N 1 0 215.406 3.295 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CC[C@H](C)SC1)C(C)C ZINC000655700270 411250457 /nfs/dbraw/zinc/25/04/57/411250457.db2.gz JKIAETSRBGPKLL-TUAOUCFPSA-N 1 0 215.406 3.295 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CC[C@@H](C)SC1)C(C)C ZINC000655700271 411250744 /nfs/dbraw/zinc/25/07/44/411250744.db2.gz JKIAETSRBGPKLL-UTUOFQBUSA-N 1 0 215.406 3.295 10 0 BGAERO CC[C@H]([NH2+][C@H]1CC[C@@H](C)SC1)C(C)C ZINC000655700273 411250602 /nfs/dbraw/zinc/25/06/02/411250602.db2.gz JKIAETSRBGPKLL-WOPDTQHZSA-N 1 0 215.406 3.295 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H](C)SC1 ZINC000655732180 411398741 /nfs/dbraw/zinc/39/87/41/411398741.db2.gz ZZINPFCIHWLQBZ-KKOKHZNYSA-N 1 0 213.390 3.049 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H](C)SC1 ZINC000655732181 411398709 /nfs/dbraw/zinc/39/87/09/411398709.db2.gz ZZINPFCIHWLQBZ-QCNOEVLYSA-N 1 0 213.390 3.049 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@H](C)SC1 ZINC000655732182 411399009 /nfs/dbraw/zinc/39/90/09/411399009.db2.gz ZZINPFCIHWLQBZ-USZNOCQGSA-N 1 0 213.390 3.049 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CC[C@@H](C)SC1 ZINC000655732183 411398754 /nfs/dbraw/zinc/39/87/54/411398754.db2.gz ZZINPFCIHWLQBZ-WYUUTHIRSA-N 1 0 213.390 3.049 10 0 BGAERO C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CS1 ZINC000655779230 411373459 /nfs/dbraw/zinc/37/34/59/411373459.db2.gz GKWAGVMNMKYNSC-KSSYENDESA-N 1 0 225.401 3.049 10 0 BGAERO c1cc2cc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)ccc2[nH]1 ZINC000655799225 411517413 /nfs/dbraw/zinc/51/74/13/411517413.db2.gz APUFZRYIBVEHJT-JGGQBBKZSA-N 1 0 240.350 3.446 10 0 BGAERO C[C@@H](CC1CCCCC1)[NH2+][C@@H]1CCCC[C@H]1O ZINC000656507855 411287278 /nfs/dbraw/zinc/28/72/78/411287278.db2.gz BJKWILKYPZRXGT-NWANDNLSSA-N 1 0 239.403 3.238 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CCCC2CCC2)o1 ZINC000656691793 411330448 /nfs/dbraw/zinc/33/04/48/411330448.db2.gz XMAVIXOWPXNHFZ-LLVKDONJSA-N 1 0 222.332 3.214 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCCC2CCC2)o1 ZINC000656691794 411330604 /nfs/dbraw/zinc/33/06/04/411330604.db2.gz XMAVIXOWPXNHFZ-NSHDSACASA-N 1 0 222.332 3.214 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CO[C@H](CC)C2)cc1 ZINC000657291543 411451646 /nfs/dbraw/zinc/45/16/46/411451646.db2.gz XAPJIOLDRKRVRL-APHBMKBZSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@H]2CO[C@@H](CC)C2)cc1 ZINC000657291544 411451512 /nfs/dbraw/zinc/45/15/12/411451512.db2.gz XAPJIOLDRKRVRL-MAZHCROVSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CO[C@@H](CC)C2)cc1 ZINC000657291545 411451603 /nfs/dbraw/zinc/45/16/03/411451603.db2.gz XAPJIOLDRKRVRL-RCBQFDQVSA-N 1 0 247.382 3.467 10 0 BGAERO CCc1ccc([C@H](C)[NH2+][C@@H]2CO[C@H](CC)C2)cc1 ZINC000657291546 411452338 /nfs/dbraw/zinc/45/23/38/411452338.db2.gz XAPJIOLDRKRVRL-VBNZEHGJSA-N 1 0 247.382 3.467 10 0 BGAERO CC(C)[C@@H](C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657292310 411453304 /nfs/dbraw/zinc/45/33/04/411453304.db2.gz HXZOEJQAJRSDGT-MRVPVSSYSA-N 1 0 231.261 3.238 10 0 BGAERO CC(C)[C@H](C)[NH2+]Cc1ccc(F)c(F)c1F ZINC000657292311 411453730 /nfs/dbraw/zinc/45/37/30/411453730.db2.gz HXZOEJQAJRSDGT-QMMMGPOBSA-N 1 0 231.261 3.238 10 0 BGAERO CC[C@@H]1C[C@H]([NH2+]C2CCC(CC)CC2)CO1 ZINC000657315844 411463066 /nfs/dbraw/zinc/46/30/66/411463066.db2.gz DGHMRCDOPXULCN-CLRIEMFWSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@H]1C[C@H]([NH2+]C2CCC(CC)CC2)CO1 ZINC000657315845 411462676 /nfs/dbraw/zinc/46/26/76/411462676.db2.gz DGHMRCDOPXULCN-HOAMVYINSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@@H]1C[C@@H]([NH2+]C2CCC(CC)CC2)CO1 ZINC000657315846 411463114 /nfs/dbraw/zinc/46/31/14/411463114.db2.gz DGHMRCDOPXULCN-NWINJMCUSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@H]1C[C@@H]([NH2+]C2CCC(CC)CC2)CO1 ZINC000657315848 411463093 /nfs/dbraw/zinc/46/30/93/411463093.db2.gz DGHMRCDOPXULCN-PQAZSJQKSA-N 1 0 225.376 3.112 10 0 BGAERO CCC1CCC([NH2+]Cc2nc(C)c(C)[nH]2)CC1 ZINC000657316305 411463177 /nfs/dbraw/zinc/46/31/77/411463177.db2.gz JTZXVVJKOSYSEK-UHFFFAOYSA-N 1 0 235.375 3.085 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1cc(COC)cs1 ZINC000657382478 411487924 /nfs/dbraw/zinc/48/79/24/411487924.db2.gz DDYQRADREGDYCW-AAEUAGOBSA-N 1 0 239.384 3.173 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1cc(COC)cs1 ZINC000657382479 411488027 /nfs/dbraw/zinc/48/80/27/411488027.db2.gz DDYQRADREGDYCW-DGCLKSJQSA-N 1 0 239.384 3.173 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1cc(COC)cs1 ZINC000657382480 411488207 /nfs/dbraw/zinc/48/82/07/411488207.db2.gz DDYQRADREGDYCW-WCQYABFASA-N 1 0 239.384 3.173 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1cc(COC)cs1 ZINC000657382481 411487825 /nfs/dbraw/zinc/48/78/25/411487825.db2.gz DDYQRADREGDYCW-YPMHNXCESA-N 1 0 239.384 3.173 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657383181 411488371 /nfs/dbraw/zinc/48/83/71/411488371.db2.gz GSNUZSKBTKFERO-GZMMTYOYSA-N 1 0 243.272 3.382 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657383182 411488100 /nfs/dbraw/zinc/48/81/00/411488100.db2.gz GSNUZSKBTKFERO-KCJUWKMLSA-N 1 0 243.272 3.382 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657383183 411488353 /nfs/dbraw/zinc/48/83/53/411488353.db2.gz GSNUZSKBTKFERO-KWQFWETISA-N 1 0 243.272 3.382 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(F)c(F)c1F ZINC000657383184 411487756 /nfs/dbraw/zinc/48/77/56/411487756.db2.gz GSNUZSKBTKFERO-LDYMZIIASA-N 1 0 243.272 3.382 10 0 BGAERO Cc1nc(CN[C@H](C)c2cccc(C)c2)[nH]c1C ZINC000657487097 411531085 /nfs/dbraw/zinc/53/10/85/411531085.db2.gz PBYZVIDMRXCVRU-CYBMUJFWSA-N 1 0 243.354 3.186 10 0 BGAERO CC[C@@H]1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)CO1 ZINC000657487776 411531104 /nfs/dbraw/zinc/53/11/04/411531104.db2.gz YGVQAFBOYHELDW-AEGPPILISA-N 1 0 233.355 3.213 10 0 BGAERO CC[C@@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)CO1 ZINC000657487778 411531218 /nfs/dbraw/zinc/53/12/18/411531218.db2.gz YGVQAFBOYHELDW-BPLDGKMQSA-N 1 0 233.355 3.213 10 0 BGAERO CC[C@@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)CO1 ZINC000657487780 411530948 /nfs/dbraw/zinc/53/09/48/411530948.db2.gz YGVQAFBOYHELDW-NWANDNLSSA-N 1 0 233.355 3.213 10 0 BGAERO CC[C@@H]1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)CO1 ZINC000657487782 411530852 /nfs/dbraw/zinc/53/08/52/411530852.db2.gz YGVQAFBOYHELDW-VHDGCEQUSA-N 1 0 233.355 3.213 10 0 BGAERO CC1CCC(C[NH2+]CCc2ccoc2)CC1 ZINC000657654523 411571290 /nfs/dbraw/zinc/57/12/90/411571290.db2.gz VFKOKLPKBADHHI-UHFFFAOYSA-N 1 0 221.344 3.238 10 0 BGAERO CC1CCC(C[NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657663123 411576546 /nfs/dbraw/zinc/57/65/46/411576546.db2.gz BDPFJVGOMYXIOR-HTAVTVPLSA-N 1 0 231.330 3.448 10 0 BGAERO CC1CCC(C[NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657663125 411576424 /nfs/dbraw/zinc/57/64/24/411576424.db2.gz BDPFJVGOMYXIOR-MCIGGMRASA-N 1 0 231.330 3.448 10 0 BGAERO CC1CCC(C[NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000657787092 411595498 /nfs/dbraw/zinc/59/54/98/411595498.db2.gz RTWKCKDUSAHOGW-JXQTWKCFSA-N 1 0 239.403 3.217 10 0 BGAERO CC1CCC(C[NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000657787093 411595380 /nfs/dbraw/zinc/59/53/80/411595380.db2.gz RTWKCKDUSAHOGW-RUXDESIVSA-N 1 0 239.403 3.217 10 0 BGAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CCCC12CC2 ZINC000657821882 411607161 /nfs/dbraw/zinc/60/71/61/411607161.db2.gz UGNWELVZLXYKSQ-DZGCQCFKSA-N 1 0 243.350 3.433 10 0 BGAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CCCC12CC2 ZINC000657821883 411607030 /nfs/dbraw/zinc/60/70/30/411607030.db2.gz UGNWELVZLXYKSQ-HIFRSBDPSA-N 1 0 243.350 3.433 10 0 BGAERO c1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CCCC12CC2 ZINC000657821886 411606874 /nfs/dbraw/zinc/60/68/74/411606874.db2.gz UGNWELVZLXYKSQ-UKRRQHHQSA-N 1 0 243.350 3.433 10 0 BGAERO c1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CCCC12CC2 ZINC000657821887 411606993 /nfs/dbraw/zinc/60/69/93/411606993.db2.gz UGNWELVZLXYKSQ-ZFWWWQNUSA-N 1 0 243.350 3.433 10 0 BGAERO CCOC1CCC([NH2+][C@H](CC)C(C)C)CC1 ZINC000657852868 411612095 /nfs/dbraw/zinc/61/20/95/411612095.db2.gz HWEPNVCOTKBYAK-JXQTWKCFSA-N 1 0 227.392 3.358 10 0 BGAERO CCOC1CCC([NH2+][C@@H](CC)C(C)C)CC1 ZINC000657852869 411612268 /nfs/dbraw/zinc/61/22/68/411612268.db2.gz HWEPNVCOTKBYAK-RUXDESIVSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCCSCC1)C(C)C ZINC000657854870 488151253 /nfs/dbraw/zinc/15/12/53/488151253.db2.gz WZTBESHUBUHOJL-NEPJUHHUSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@@H]([NH2+][C@H]1CCCSCC1)C(C)C ZINC000657854871 488150837 /nfs/dbraw/zinc/15/08/37/488150837.db2.gz WZTBESHUBUHOJL-NWDGAFQWSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCCSCC1)C(C)C ZINC000657854872 488150808 /nfs/dbraw/zinc/15/08/08/488150808.db2.gz WZTBESHUBUHOJL-RYUDHWBXSA-N 1 0 215.406 3.296 10 0 BGAERO CC[C@@H]([NH2+][C@@H]1CCCSCC1)C(C)C ZINC000657854873 488151221 /nfs/dbraw/zinc/15/12/21/488151221.db2.gz WZTBESHUBUHOJL-VXGBXAGGSA-N 1 0 215.406 3.296 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCC(OCC)CC1 ZINC000657922992 411166928 /nfs/dbraw/zinc/16/69/28/411166928.db2.gz PNQZGLQDUPIHSH-ABXWRUBCSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]C1CCC(OCC)CC1 ZINC000657922995 411167178 /nfs/dbraw/zinc/16/71/78/411167178.db2.gz PNQZGLQDUPIHSH-BLYZHGLHSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]C1CCC(OCC)CC1 ZINC000657922996 411166984 /nfs/dbraw/zinc/16/69/84/411166984.db2.gz PNQZGLQDUPIHSH-GFJIZPEISA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC(OCC)CC1 ZINC000657922999 411167170 /nfs/dbraw/zinc/16/71/70/411167170.db2.gz PNQZGLQDUPIHSH-RYSNWHEDSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@H]1CCCSCC1 ZINC000657923583 488181494 /nfs/dbraw/zinc/18/14/94/488181494.db2.gz VMCJGJUZSUNSLC-GRYCIOLGSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657923584 488181589 /nfs/dbraw/zinc/18/15/89/488181589.db2.gz VMCJGJUZSUNSLC-IJLUTSLNSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCCSCC1 ZINC000657923585 488181595 /nfs/dbraw/zinc/18/15/95/488181595.db2.gz VMCJGJUZSUNSLC-UTUOFQBUSA-N 1 0 213.390 3.050 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCCSCC1 ZINC000657923586 488181377 /nfs/dbraw/zinc/18/13/77/488181377.db2.gz VMCJGJUZSUNSLC-WOPDTQHZSA-N 1 0 213.390 3.050 10 0 BGAERO Cc1ccncc1N[C@@H]1CCCSCC1 ZINC000657952443 411179912 /nfs/dbraw/zinc/17/99/12/411179912.db2.gz LEXKOAQCVHKMQY-LLVKDONJSA-N 1 0 222.357 3.088 10 0 BGAERO Cc1ccncc1N[C@H]1CCCSCC1 ZINC000657952444 411179942 /nfs/dbraw/zinc/17/99/42/411179942.db2.gz LEXKOAQCVHKMQY-NSHDSACASA-N 1 0 222.357 3.088 10 0 BGAERO C1[C@H]2CCC[C@@H]([NH2+][C@@H]3CCCSCC3)[C@@H]12 ZINC000658042820 411215582 /nfs/dbraw/zinc/21/55/82/411215582.db2.gz YQAKHFOKVMQOMY-FVCCEPFGSA-N 1 0 225.401 3.050 10 0 BGAERO CCOC1CCC([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000658044364 411216337 /nfs/dbraw/zinc/21/63/37/411216337.db2.gz YQODDKKCEOOOMS-HTXSYXIBSA-N 1 0 237.387 3.112 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658236353 411306046 /nfs/dbraw/zinc/30/60/46/411306046.db2.gz ITYVYVMILJESKO-KBPBESRZSA-N 1 0 231.339 3.158 10 0 BGAERO CC1(C)CC[C@@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658236355 411305944 /nfs/dbraw/zinc/30/59/44/411305944.db2.gz ITYVYVMILJESKO-KGLIPLIRSA-N 1 0 231.339 3.158 10 0 BGAERO CC1(C)CC[C@H]1[NH2+][C@H]1CCc2ccc(O)cc21 ZINC000658236356 411306183 /nfs/dbraw/zinc/30/61/83/411306183.db2.gz ITYVYVMILJESKO-UONOGXRCSA-N 1 0 231.339 3.158 10 0 BGAERO CC1(C)CC[C@H]1[NH2+][C@@H]1CCc2ccc(O)cc21 ZINC000658236357 411306017 /nfs/dbraw/zinc/30/60/17/411306017.db2.gz ITYVYVMILJESKO-ZIAGYGMSSA-N 1 0 231.339 3.158 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]CC2=CCCC2)c1C ZINC000658292975 411326223 /nfs/dbraw/zinc/32/62/23/411326223.db2.gz TVEODFDPBDPTSO-LLVKDONJSA-N 1 0 247.386 3.281 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]CC2=CCCC2)c1C ZINC000658292976 411326186 /nfs/dbraw/zinc/32/61/86/411326186.db2.gz TVEODFDPBDPTSO-NSHDSACASA-N 1 0 247.386 3.281 10 0 BGAERO Cc1cc(C)c([C@H](C)[NH2+]C2CC(CO)C2)cc1C ZINC000658350731 411352035 /nfs/dbraw/zinc/35/20/35/411352035.db2.gz HOAASZMHVXVTLD-NFOMZHRRSA-N 1 0 247.382 3.033 10 0 BGAERO Cc1cc(C)c([C@@H](C)[NH2+]C2CC(CO)C2)cc1C ZINC000658350734 411352218 /nfs/dbraw/zinc/35/22/18/411352218.db2.gz HOAASZMHVXVTLD-WLYUNCDWSA-N 1 0 247.382 3.033 10 0 BGAERO CC(C)c1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658352183 411354510 /nfs/dbraw/zinc/35/45/10/411354510.db2.gz UGICXXNPXRVDJG-FUJMWEONSA-N 1 0 247.382 3.232 10 0 BGAERO CC(C)c1ccc([C@@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658352185 411354432 /nfs/dbraw/zinc/35/44/32/411354432.db2.gz UGICXXNPXRVDJG-VEAWUBTESA-N 1 0 247.382 3.232 10 0 BGAERO CCc1ccc([C@@H](CC)[NH2+]C2CC(CO)C2)cc1 ZINC000658352483 411354439 /nfs/dbraw/zinc/35/44/39/411354439.db2.gz XFFJKNGWSQIAEU-AVVWSFFYSA-N 1 0 247.382 3.061 10 0 BGAERO CCc1ccc([C@H](CC)[NH2+]C2CC(CO)C2)cc1 ZINC000658352484 411355011 /nfs/dbraw/zinc/35/50/11/411355011.db2.gz XFFJKNGWSQIAEU-BCLQGDPASA-N 1 0 247.382 3.061 10 0 BGAERO CCCc1ccc([C@@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658352498 411355500 /nfs/dbraw/zinc/35/55/00/411355500.db2.gz XQLQKYCJUONELZ-XEBKBJJBSA-N 1 0 247.382 3.061 10 0 BGAERO CCCc1ccc([C@H](C)[NH2+]C2CC(CO)C2)cc1 ZINC000658352499 411355390 /nfs/dbraw/zinc/35/53/90/411355390.db2.gz XQLQKYCJUONELZ-YGONEPDPSA-N 1 0 247.382 3.061 10 0 BGAERO CCCC[C@@H]([NH2+]C1CC(CO)C1)c1ccccc1 ZINC000658352749 411355434 /nfs/dbraw/zinc/35/54/34/411355434.db2.gz AHOVGXZBRFJYDY-AVVWSFFYSA-N 1 0 247.382 3.278 10 0 BGAERO CCCC[C@H]([NH2+]C1CC(CO)C1)c1ccccc1 ZINC000658352752 411354855 /nfs/dbraw/zinc/35/48/55/411354855.db2.gz AHOVGXZBRFJYDY-BCLQGDPASA-N 1 0 247.382 3.278 10 0 BGAERO CC(C)C[C@@H]([NH2+]C1CC(CO)C1)c1ccccc1 ZINC000658358307 488051956 /nfs/dbraw/zinc/05/19/56/488051956.db2.gz ZUZSRZHPGBOXCY-AVVWSFFYSA-N 1 0 247.382 3.134 10 0 BGAERO CC(C)C[C@H]([NH2+]C1CC(CO)C1)c1ccccc1 ZINC000658358308 488052085 /nfs/dbraw/zinc/05/20/85/488052085.db2.gz ZUZSRZHPGBOXCY-BCLQGDPASA-N 1 0 247.382 3.134 10 0 BGAERO CCC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000659999826 411524902 /nfs/dbraw/zinc/52/49/02/411524902.db2.gz IMUFFCQBFZTUTI-ILXRZTDVSA-N 1 0 239.403 3.050 10 0 BGAERO CCC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000659999827 411525172 /nfs/dbraw/zinc/52/51/72/411525172.db2.gz IMUFFCQBFZTUTI-KFWWJZLASA-N 1 0 239.403 3.050 10 0 BGAERO CCC[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000659999828 411525111 /nfs/dbraw/zinc/52/51/11/411525111.db2.gz IMUFFCQBFZTUTI-QLFBSQMISA-N 1 0 239.403 3.050 10 0 BGAERO CCC[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000659999829 411525319 /nfs/dbraw/zinc/52/53/19/411525319.db2.gz IMUFFCQBFZTUTI-RBSFLKMASA-N 1 0 239.403 3.050 10 0 BGAERO CO[C@@H](C[NH2+][C@@H](C)c1ccccc1C)C1CCC1 ZINC000660173671 411280789 /nfs/dbraw/zinc/28/07/89/411280789.db2.gz CINCWOYASOUZOA-BBRMVZONSA-N 1 0 247.382 3.461 10 0 BGAERO CO[C@@H](C[NH2+][C@H](C)c1ccccc1C)C1CCC1 ZINC000660173858 411280785 /nfs/dbraw/zinc/28/07/85/411280785.db2.gz CINCWOYASOUZOA-CJNGLKHVSA-N 1 0 247.382 3.461 10 0 BGAERO CO[C@H](C[NH2+][C@H](C)c1ccccc1C)C1CCC1 ZINC000660173864 411280634 /nfs/dbraw/zinc/28/06/34/411280634.db2.gz CINCWOYASOUZOA-CZUORRHYSA-N 1 0 247.382 3.461 10 0 BGAERO CO[C@H](C[NH2+][C@@H](C)c1ccccc1C)C1CCC1 ZINC000660173871 411280776 /nfs/dbraw/zinc/28/07/76/411280776.db2.gz CINCWOYASOUZOA-XJKSGUPXSA-N 1 0 247.382 3.461 10 0 BGAERO COc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660173901 411551880 /nfs/dbraw/zinc/55/18/80/411551880.db2.gz UYBCQUYRSHUYHE-FQUUOJAGSA-N 1 0 245.366 3.392 10 0 BGAERO COc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000660173927 411552061 /nfs/dbraw/zinc/55/20/61/411552061.db2.gz UYBCQUYRSHUYHE-YIYPIFLZSA-N 1 0 245.366 3.392 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000660256094 411347814 /nfs/dbraw/zinc/34/78/14/411347814.db2.gz DTAFJZVLMRSURA-FVCCEPFGSA-N 1 0 219.328 3.285 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)o1 ZINC000660256095 411348094 /nfs/dbraw/zinc/34/80/94/411348094.db2.gz DTAFJZVLMRSURA-RVMXOQNASA-N 1 0 219.328 3.285 10 0 BGAERO CO[C@@H](C[NH2+][C@H](C)c1cccs1)C1CCC1 ZINC000660256912 411560834 /nfs/dbraw/zinc/56/08/34/411560834.db2.gz MLDHXNUTICNOSQ-PWSUYJOCSA-N 1 0 239.384 3.214 10 0 BGAERO CO[C@H](C[NH2+][C@H](C)c1cccs1)C1CCC1 ZINC000660256914 411349325 /nfs/dbraw/zinc/34/93/25/411349325.db2.gz MLDHXNUTICNOSQ-ZYHUDNBSSA-N 1 0 239.384 3.214 10 0 BGAERO CO[C@H](C[NH2+][C@H](C)c1ccc(C)o1)C1CCC1 ZINC000660257295 411560537 /nfs/dbraw/zinc/56/05/37/411560537.db2.gz PERWZLSXBYXIPD-BXUZGUMPSA-N 1 0 237.343 3.054 10 0 BGAERO CO[C@@H](C[NH2+][C@@H](C)c1ccc(C)o1)C1CCC1 ZINC000660257296 411560977 /nfs/dbraw/zinc/56/09/77/411560977.db2.gz PERWZLSXBYXIPD-FZMZJTMJSA-N 1 0 237.343 3.054 10 0 BGAERO CO[C@@H](C[NH2+][C@H](C)c1ccc(C)o1)C1CCC1 ZINC000660257297 411560912 /nfs/dbraw/zinc/56/09/12/411560912.db2.gz PERWZLSXBYXIPD-RISCZKNCSA-N 1 0 237.343 3.054 10 0 BGAERO CO[C@H](C[NH2+][C@@H](C)c1ccc(C)o1)C1CCC1 ZINC000660257298 411560513 /nfs/dbraw/zinc/56/05/13/411560513.db2.gz PERWZLSXBYXIPD-SMDDNHRTSA-N 1 0 237.343 3.054 10 0 BGAERO C[C@@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccs1 ZINC000660257950 411561514 /nfs/dbraw/zinc/56/15/14/411561514.db2.gz WLWWIJXPIXOQFC-WISYIIOYSA-N 1 0 221.369 3.445 10 0 BGAERO C[C@H]([NH2+]C[C@@H]1C[C@H]2C[C@H]2C1)c1cccs1 ZINC000660257953 411561297 /nfs/dbraw/zinc/56/12/97/411561297.db2.gz WLWWIJXPIXOQFC-YFKTTZPYSA-N 1 0 221.369 3.445 10 0 BGAERO Cc1nc([C@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000660267228 411561690 /nfs/dbraw/zinc/56/16/90/411561690.db2.gz LQPXVHTWWAGBCN-IXLVHKGHSA-N 1 0 236.384 3.148 10 0 BGAERO Cc1nc([C@@H](C)[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)cs1 ZINC000660267229 411561744 /nfs/dbraw/zinc/56/17/44/411561744.db2.gz LQPXVHTWWAGBCN-KXGXSXBTSA-N 1 0 236.384 3.148 10 0 BGAERO CC[C@@H](C[NH2+][C@H](C)c1ncc(C)o1)CC(F)F ZINC000660268567 411562554 /nfs/dbraw/zinc/56/25/54/411562554.db2.gz KBMMAMVPKVFBJK-NXEZZACHSA-N 1 0 246.301 3.315 10 0 BGAERO CC[C@H](C[NH2+][C@@H](C)c1ncc(C)o1)CC(F)F ZINC000660268568 411562660 /nfs/dbraw/zinc/56/26/60/411562660.db2.gz KBMMAMVPKVFBJK-UWVGGRQHSA-N 1 0 246.301 3.315 10 0 BGAERO CC[C@@H](C[NH2+][C@@H](C)c1ncc(C)o1)CC(F)F ZINC000660268569 411562376 /nfs/dbraw/zinc/56/23/76/411562376.db2.gz KBMMAMVPKVFBJK-VHSXEESVSA-N 1 0 246.301 3.315 10 0 BGAERO CC[C@H](C[NH2+][C@H](C)c1ncc(C)o1)CC(F)F ZINC000660268571 411562461 /nfs/dbraw/zinc/56/24/61/411562461.db2.gz KBMMAMVPKVFBJK-ZJUUUORDSA-N 1 0 246.301 3.315 10 0 BGAERO CC[C@H](C[NH2+]C1(C(C)C)CC1)CC(F)F ZINC000660641148 411611356 /nfs/dbraw/zinc/61/13/56/411611356.db2.gz WICAAWRWAOQXPV-JTQLQIEISA-N 1 0 219.319 3.446 10 0 BGAERO CC[C@@H](C[NH2+]C1(C(C)C)CC1)CC(F)F ZINC000660641153 411610809 /nfs/dbraw/zinc/61/08/09/411610809.db2.gz WICAAWRWAOQXPV-SNVBAGLBSA-N 1 0 219.319 3.446 10 0 BGAERO CO[C@@H](C[NH2+][C@@H](C)c1cccc(C)c1)C1CCC1 ZINC000660759238 409721482 /nfs/dbraw/zinc/72/14/82/409721482.db2.gz YXJJTQSYPJDXPB-BBRMVZONSA-N 1 0 247.382 3.461 10 0 BGAERO CO[C@@H](C[NH2+][C@H](C)c1cccc(C)c1)C1CCC1 ZINC000660759239 409723341 /nfs/dbraw/zinc/72/33/41/409723341.db2.gz YXJJTQSYPJDXPB-CJNGLKHVSA-N 1 0 247.382 3.461 10 0 BGAERO CO[C@H](C[NH2+][C@H](C)c1cccc(C)c1)C1CCC1 ZINC000660759240 409721093 /nfs/dbraw/zinc/72/10/93/409721093.db2.gz YXJJTQSYPJDXPB-CZUORRHYSA-N 1 0 247.382 3.461 10 0 BGAERO CO[C@H](C[NH2+][C@@H](C)c1cccc(C)c1)C1CCC1 ZINC000660759241 409721506 /nfs/dbraw/zinc/72/15/06/409721506.db2.gz YXJJTQSYPJDXPB-XJKSGUPXSA-N 1 0 247.382 3.461 10 0 BGAERO C(CC1CCC1)[NH2+]C1(C2CCC2)CCC1 ZINC000660777242 409735680 /nfs/dbraw/zinc/73/56/80/409735680.db2.gz ABPRMSXRDSQHMK-UHFFFAOYSA-N 1 0 207.361 3.489 10 0 BGAERO C1=CCC(C[NH2+]C2(C3CCC3)CCC2)C1 ZINC000660777279 411625499 /nfs/dbraw/zinc/62/54/99/411625499.db2.gz AWHXLGOINUZDCV-UHFFFAOYSA-N 1 0 205.345 3.265 10 0 BGAERO Nc1cccc(C[NH2+]C2(C3CCC3)CCC2)c1 ZINC000660778547 411627200 /nfs/dbraw/zinc/62/72/00/411627200.db2.gz JNSZLLCTAZCOQJ-UHFFFAOYSA-N 1 0 230.355 3.081 10 0 BGAERO CC[C@H](C[NH2+][C@@H]1CCC[C@H]2C[C@H]21)CC(F)F ZINC000660903460 409948778 /nfs/dbraw/zinc/94/87/78/409948778.db2.gz OXSURFLKCIJHAB-NNYUYHANSA-N 1 0 231.330 3.446 10 0 BGAERO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCC[C@@H](O)C2)C1 ZINC000661860053 411906401 /nfs/dbraw/zinc/90/64/01/411906401.db2.gz QGHOGJUOPLGFHY-APIJFGDWSA-N 1 0 239.403 3.048 10 0 BGAERO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCC[C@@H](O)C2)C1 ZINC000661860054 411907440 /nfs/dbraw/zinc/90/74/40/411907440.db2.gz QGHOGJUOPLGFHY-KBUPBQIOSA-N 1 0 239.403 3.048 10 0 BGAERO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@H]2CCC[C@H](O)C2)C1 ZINC000661860055 411906683 /nfs/dbraw/zinc/90/66/83/411906683.db2.gz QGHOGJUOPLGFHY-KBXIAJHMSA-N 1 0 239.403 3.048 10 0 BGAERO CC[C@@H]1CC[C@@H](C)[N@H+](C[C@@H]2CCC[C@H](O)C2)C1 ZINC000661860056 411907517 /nfs/dbraw/zinc/90/75/17/411907517.db2.gz QGHOGJUOPLGFHY-TUVASFSCSA-N 1 0 239.403 3.048 10 0 BGAERO CC(C)CC1([NH2+]C[C@@H]2Cc3ccccc32)CC1 ZINC000662066515 411967174 /nfs/dbraw/zinc/96/71/74/411967174.db2.gz NRMOOSFCUMTVBJ-AWEZNQCLSA-N 1 0 229.367 3.495 10 0 BGAERO CC(C)CC1([NH2+]C[C@H]2Cc3ccccc32)CC1 ZINC000662066516 411967948 /nfs/dbraw/zinc/96/79/48/411967948.db2.gz NRMOOSFCUMTVBJ-CQSZACIVSA-N 1 0 229.367 3.495 10 0 BGAERO CC(C)[C@H]([NH3+])CCNc1nc2ccccc2s1 ZINC000663275702 410092498 /nfs/dbraw/zinc/09/24/98/410092498.db2.gz BQWBAWQLIOOPQJ-SNVBAGLBSA-N 1 0 249.383 3.082 10 0 BGAERO CC(C)[C@H]([NH3+])CCNc1ccc2ccccc2n1 ZINC000663276327 412406459 /nfs/dbraw/zinc/40/64/59/412406459.db2.gz RNJLGTSKQNEGFA-CYBMUJFWSA-N 1 0 243.354 3.020 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]CCOCCF ZINC000663461506 411663816 /nfs/dbraw/zinc/66/38/16/411663816.db2.gz FFUOSHRKANPYFE-HZSPNIEDSA-N 1 0 245.382 3.023 10 0 BGAERO CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCOCCF ZINC000663461507 411663602 /nfs/dbraw/zinc/66/36/02/411663602.db2.gz FFUOSHRKANPYFE-RDBSUJKOSA-N 1 0 245.382 3.023 10 0 BGAERO CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCOCCF ZINC000663462193 411663871 /nfs/dbraw/zinc/66/38/71/411663871.db2.gz NEEWHXGXWSIIFG-CHWSQXEVSA-N 1 0 245.382 3.167 10 0 BGAERO CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCOCCF ZINC000663462194 411663260 /nfs/dbraw/zinc/66/32/60/411663260.db2.gz NEEWHXGXWSIIFG-OLZOCXBDSA-N 1 0 245.382 3.167 10 0 BGAERO CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCOCCF ZINC000663462195 411664260 /nfs/dbraw/zinc/66/42/60/411664260.db2.gz NEEWHXGXWSIIFG-QWHCGFSZSA-N 1 0 245.382 3.167 10 0 BGAERO CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCOCCF ZINC000663462196 411663300 /nfs/dbraw/zinc/66/33/00/411663300.db2.gz NEEWHXGXWSIIFG-STQMWFEESA-N 1 0 245.382 3.167 10 0 BGAERO CC[C@H]([NH2+]Cc1nc(C)c(C)s1)[C@@H]1C[C@@H]1C ZINC000666094146 488175245 /nfs/dbraw/zinc/17/52/45/488175245.db2.gz LAXHPJCMNDJSRE-AXTRIDKLSA-N 1 0 238.400 3.284 10 0 BGAERO CC[C@H]([NH2+]Cc1nc(C)c(C)s1)[C@@H]1C[C@H]1C ZINC000666094147 488175124 /nfs/dbraw/zinc/17/51/24/488175124.db2.gz LAXHPJCMNDJSRE-FXAINCCUSA-N 1 0 238.400 3.284 10 0 BGAERO CC[C@H]([NH2+]Cc1nc(C)c(C)s1)[C@H]1C[C@@H]1C ZINC000666094148 488175259 /nfs/dbraw/zinc/17/52/59/488175259.db2.gz LAXHPJCMNDJSRE-UWJYBYFXSA-N 1 0 238.400 3.284 10 0 BGAERO CC[C@H]([NH2+]Cc1nc(C)c(C)s1)[C@H]1C[C@H]1C ZINC000666094149 488175189 /nfs/dbraw/zinc/17/51/89/488175189.db2.gz LAXHPJCMNDJSRE-ZHAHWJHGSA-N 1 0 238.400 3.284 10 0 BGAERO Cc1ccc(-c2ccc(Cl)cc2)c(C[NH3+])n1 ZINC000669372575 636547898 /nfs/dbraw/zinc/54/78/98/636547898.db2.gz SFYIVJNRWNTNLO-UHFFFAOYSA-N 1 0 232.714 3.169 10 0 BGAERO Cc1ccc(-c2cccc(Cl)c2)c(C[NH3+])n1 ZINC000669372733 537950374 /nfs/dbraw/zinc/95/03/74/537950374.db2.gz YADFTTSPQVMKIK-UHFFFAOYSA-N 1 0 232.714 3.169 10 0 BGAERO Nc1ccc(C[NH3+])cc1-c1ccc(Cl)cc1 ZINC000669380067 537984313 /nfs/dbraw/zinc/98/43/13/537984313.db2.gz HMNJFRIAZBDCFS-UHFFFAOYSA-N 1 0 232.714 3.048 10 0 BGAERO Nc1ccc(C[NH3+])cc1-c1cccc(Cl)c1 ZINC000669380687 566424908 /nfs/dbraw/zinc/42/49/08/566424908.db2.gz SXYUZQIUFWDUOG-UHFFFAOYSA-N 1 0 232.714 3.048 10 0 BGAERO COc1cc(C)[nH+]c(NC2CCCCC2)c1 ZINC000669381201 566424418 /nfs/dbraw/zinc/42/44/18/566424418.db2.gz BELTXAANVXZBLN-UHFFFAOYSA-N 1 0 220.316 3.143 10 0 BGAERO COc1cc(C)[nH+]c(NCc2ccccc2)c1 ZINC000669381308 566427293 /nfs/dbraw/zinc/42/72/93/566427293.db2.gz FRNDWHVYCICNIF-UHFFFAOYSA-N 1 0 228.295 3.011 10 0 BGAERO COc1cc(C)[nH+]c(Nc2ccsc2)c1 ZINC000669381863 537997377 /nfs/dbraw/zinc/99/73/77/537997377.db2.gz YGYQVVACMLEBKZ-UHFFFAOYSA-N 1 0 220.297 3.204 10 0 BGAERO COc1cc(C)[nH+]c(Nc2ccccc2)c1 ZINC000669381872 537998727 /nfs/dbraw/zinc/99/87/27/537998727.db2.gz YQVFBPDLMIXQKA-UHFFFAOYSA-N 1 0 214.268 3.142 10 0 BGAERO CCCC[NH2+]Cc1nc(CC)c(CC)s1 ZINC000669381996 538002193 /nfs/dbraw/zinc/00/21/93/538002193.db2.gz DBIFCURLXNCQDQ-UHFFFAOYSA-N 1 0 226.389 3.158 10 0 BGAERO CCc1nc(C[NH2+]CC(C)C)sc1CC ZINC000669382102 538002966 /nfs/dbraw/zinc/00/29/66/538002966.db2.gz GKUDTTZNSPNDHY-UHFFFAOYSA-N 1 0 226.389 3.014 10 0 BGAERO CCc1nc(C[NH2+][C@H](C)CC)sc1CC ZINC000669382194 537998689 /nfs/dbraw/zinc/99/86/89/537998689.db2.gz IPDURTNJKVWQGB-SECBINFHSA-N 1 0 226.389 3.156 10 0 BGAERO CCc1nc(C[NH2+][C@@H](C)CC)sc1CC ZINC000669382196 537998670 /nfs/dbraw/zinc/99/86/70/537998670.db2.gz IPDURTNJKVWQGB-VIFPVBQESA-N 1 0 226.389 3.156 10 0 BGAERO CCc1nc(C[NH2+]C(C)(C)C)sc1CC ZINC000669382244 538000855 /nfs/dbraw/zinc/00/08/55/538000855.db2.gz JRKVZFWDBIFWIV-UHFFFAOYSA-N 1 0 226.389 3.156 10 0 BGAERO CCCC[NH2+]Cc1ccc(CSC)cc1 ZINC000669384238 541437623 /nfs/dbraw/zinc/43/76/23/541437623.db2.gz QOAIJCDKKLFDPR-UHFFFAOYSA-N 1 0 223.385 3.439 10 0 BGAERO C[C@@H](C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000670270928 487889950 /nfs/dbraw/zinc/88/99/50/487889950.db2.gz NOWGSBKWMYOBQE-FQUUOJAGSA-N 1 0 241.419 3.462 10 0 BGAERO C[C@H](C[NH2+]CC1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000670270929 487890223 /nfs/dbraw/zinc/89/02/23/487890223.db2.gz NOWGSBKWMYOBQE-JHJVBQTASA-N 1 0 241.419 3.462 10 0 BGAERO C[C@H](C[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C ZINC000670270930 487890267 /nfs/dbraw/zinc/89/02/67/487890267.db2.gz NOWGSBKWMYOBQE-YIYPIFLZSA-N 1 0 241.419 3.462 10 0 BGAERO C[C@@H](C[NH2+]CC1C[C@@H](C)O[C@H](C)C1)C(C)(C)C ZINC000670270931 487890446 /nfs/dbraw/zinc/89/04/46/487890446.db2.gz NOWGSBKWMYOBQE-YNEHKIRRSA-N 1 0 241.419 3.462 10 0 BGAERO CCc1oc(C2CCCCC2)cc1C[NH3+] ZINC000675052703 537860467 /nfs/dbraw/zinc/86/04/67/537860467.db2.gz CUZXTNQGIQGXEH-UHFFFAOYSA-N 1 0 207.317 3.348 10 0 BGAERO [NH3+]Cc1cc(C2CCCC2)oc1C1CC1 ZINC000675052812 583916277 /nfs/dbraw/zinc/91/62/77/583916277.db2.gz FLYNNZHWDYYLJT-UHFFFAOYSA-N 1 0 205.301 3.273 10 0 BGAERO CCCc1oc(C2CCCC2)cc1C[NH3+] ZINC000675054332 541434072 /nfs/dbraw/zinc/43/40/72/541434072.db2.gz NEYWENKFSUTDLI-UHFFFAOYSA-N 1 0 207.317 3.348 10 0 BGAERO [NH3+]Cc1cc(C2CCCC2)oc1C(F)F ZINC000675054549 583944290 /nfs/dbraw/zinc/94/42/90/583944290.db2.gz OBUWADOERIFZFV-UHFFFAOYSA-N 1 0 215.243 3.334 10 0 BGAERO CC[C@@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccnc1 ZINC000675054603 537946953 /nfs/dbraw/zinc/94/69/53/537946953.db2.gz IDEIMXWJUWMIKR-MCIONIFRSA-N 1 0 235.375 3.003 10 0 BGAERO CCC(C)(C)c1cc(C[NH3+])c(C2CC2)o1 ZINC000675054605 537947006 /nfs/dbraw/zinc/94/70/06/537947006.db2.gz OPLLJTMOBRWWBG-UHFFFAOYSA-N 1 0 207.317 3.303 10 0 BGAERO CC[C@H](C)C[NH2+][C@@H]1CCCC[C@@H]1n1ccnc1 ZINC000675054608 537947411 /nfs/dbraw/zinc/94/74/11/537947411.db2.gz IDEIMXWJUWMIKR-MJBXVCDLSA-N 1 0 235.375 3.003 10 0 BGAERO CC(C)CC[NH2+][C@@H]1CCCC[C@@H]1n1ccnc1 ZINC000675055088 537982632 /nfs/dbraw/zinc/98/26/32/537982632.db2.gz MXUAMJNRXGCOHH-KGLIPLIRSA-N 1 0 235.375 3.003 10 0 BGAERO CCC(C)(C)c1cc(C[NH3+])c(C(F)F)o1 ZINC000675055220 537989385 /nfs/dbraw/zinc/98/93/85/537989385.db2.gz RGPHEOWDYUJVNF-UHFFFAOYSA-N 1 0 217.259 3.364 10 0 BGAERO CC(C)(C)c1cc(C[NH3+])c(C2CCC2)o1 ZINC000675055356 538475311 /nfs/dbraw/zinc/47/53/11/538475311.db2.gz RNVPGFCSMPGFEM-UHFFFAOYSA-N 1 0 207.317 3.303 10 0 BGAERO CCCc1oc(C(C)(C)CC)cc1C[NH3+] ZINC000675055615 538475583 /nfs/dbraw/zinc/47/55/83/538475583.db2.gz VUVMPUWEGOIDHA-UHFFFAOYSA-N 1 0 209.333 3.378 10 0 BGAERO CC[C@H](C)c1cc(C[NH3+])c(C(F)F)o1 ZINC000675055682 538476607 /nfs/dbraw/zinc/47/66/07/538476607.db2.gz WKWZUHFYPNEQBO-LURJTMIESA-N 1 0 203.232 3.189 10 0 BGAERO CC[C@@H](C)c1cc(C[NH3+])c(C(F)F)o1 ZINC000675055683 538476425 /nfs/dbraw/zinc/47/64/25/538476425.db2.gz WKWZUHFYPNEQBO-ZCFIWIBFSA-N 1 0 203.232 3.189 10 0 BGAERO C[C@@H]([NH3+])c1ccc(-c2ccc(F)c(N)c2F)cc1 ZINC000675056070 538477528 /nfs/dbraw/zinc/47/75/28/538477528.db2.gz AVMUSUKMECMVJP-MRVPVSSYSA-N 1 0 248.276 3.234 10 0 BGAERO C[C@H]([NH3+])c1ccc(-c2ccc(F)c(N)c2F)cc1 ZINC000675056072 538477636 /nfs/dbraw/zinc/47/76/36/538477636.db2.gz AVMUSUKMECMVJP-QMMMGPOBSA-N 1 0 248.276 3.234 10 0 BGAERO CCOc1ccc([C@@H](C)[NH2+][C@H](C)CC)o1 ZINC000675056517 538479095 /nfs/dbraw/zinc/47/90/95/538479095.db2.gz LTQJCAJPSULTLL-NXEZZACHSA-N 1 0 211.305 3.127 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+][C@@H](C)CC)o1 ZINC000675056518 538479208 /nfs/dbraw/zinc/47/92/08/538479208.db2.gz LTQJCAJPSULTLL-UWVGGRQHSA-N 1 0 211.305 3.127 10 0 BGAERO CCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC)o1 ZINC000675056519 538478743 /nfs/dbraw/zinc/47/87/43/538478743.db2.gz LTQJCAJPSULTLL-VHSXEESVSA-N 1 0 211.305 3.127 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+][C@H](C)CC)o1 ZINC000675056520 538479118 /nfs/dbraw/zinc/47/91/18/538479118.db2.gz LTQJCAJPSULTLL-ZJUUUORDSA-N 1 0 211.305 3.127 10 0 BGAERO CCOc1ccc([C@@H](C)[NH2+]C(C)(C)C)o1 ZINC000675057087 538479198 /nfs/dbraw/zinc/47/91/98/538479198.db2.gz VKOOTHAQYKJKJV-SECBINFHSA-N 1 0 211.305 3.127 10 0 BGAERO CCOc1ccc([C@H](C)[NH2+]C(C)(C)C)o1 ZINC000675057089 538478980 /nfs/dbraw/zinc/47/89/80/538478980.db2.gz VKOOTHAQYKJKJV-VIFPVBQESA-N 1 0 211.305 3.127 10 0 BGAERO CCCC[NH2+][C@@H](C)c1ccc(OCC)o1 ZINC000675057188 541462840 /nfs/dbraw/zinc/46/28/40/541462840.db2.gz XQHDXSMPCOGZEI-JTQLQIEISA-N 1 0 211.305 3.129 10 0 BGAERO CCCC[NH2+][C@H](C)c1ccc(OCC)o1 ZINC000675057191 541462806 /nfs/dbraw/zinc/46/28/06/541462806.db2.gz XQHDXSMPCOGZEI-SNVBAGLBSA-N 1 0 211.305 3.129 10 0 BGAERO C[C@H]([NH2+]C1CC1)C1C2CC3CC(C2)CC1C3 ZINC000675058038 538480649 /nfs/dbraw/zinc/48/06/49/538480649.db2.gz QGDNYSIPMABWLI-HQODWTRASA-N 1 0 219.372 3.199 10 0 BGAERO C[C@@H]([NH2+]C1CC1)C1C2CC3CC(C2)CC1C3 ZINC000675058040 538481006 /nfs/dbraw/zinc/48/10/06/538481006.db2.gz QGDNYSIPMABWLI-LHALRJPCSA-N 1 0 219.372 3.199 10 0 BGAERO CC(C)[NH2+][C@@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675058052 538481042 /nfs/dbraw/zinc/48/10/42/538481042.db2.gz QNEOUHPNXMZTKF-GFSREQAASA-N 1 0 221.388 3.445 10 0 BGAERO CC(C)[NH2+][C@H](C)C1C2CC3CC(C2)CC1C3 ZINC000675058053 538480955 /nfs/dbraw/zinc/48/09/55/538480955.db2.gz QNEOUHPNXMZTKF-IBEXFIOLSA-N 1 0 221.388 3.445 10 0 BGAERO CC(C)C1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000675059412 538483930 /nfs/dbraw/zinc/48/39/30/538483930.db2.gz HNUIKJPJMIUHAI-JXQTWKCFSA-N 1 0 209.377 3.448 10 0 BGAERO CC(C)C1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000675059413 538483937 /nfs/dbraw/zinc/48/39/37/538483937.db2.gz HNUIKJPJMIUHAI-RUXDESIVSA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H](C2CCC(F)(F)CC2)C1 ZINC000675059443 538484581 /nfs/dbraw/zinc/48/45/81/538484581.db2.gz IQVPMGOJDSPDQW-GXSJLCMTSA-N 1 0 217.303 3.058 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](C2CCC(F)(F)CC2)C1 ZINC000675059444 538484310 /nfs/dbraw/zinc/48/43/10/538484310.db2.gz IQVPMGOJDSPDQW-KOLCDFICSA-N 1 0 217.303 3.058 10 0 BGAERO C[C@H]1C[NH2+]C[C@H](C2CCC(F)(F)CC2)C1 ZINC000675059445 538483942 /nfs/dbraw/zinc/48/39/42/538483942.db2.gz IQVPMGOJDSPDQW-MWLCHTKSSA-N 1 0 217.303 3.058 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](C2CCC(F)(F)CC2)C1 ZINC000675059446 538484497 /nfs/dbraw/zinc/48/44/97/538484497.db2.gz IQVPMGOJDSPDQW-ONGXEEELSA-N 1 0 217.303 3.058 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H]([C@H]2CCCC(C)(C)C2)C1 ZINC000675059774 538485391 /nfs/dbraw/zinc/48/53/91/538485391.db2.gz LZCGGMOMOTYPLC-AVGNSLFASA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H]([C@H]2CCCC(C)(C)C2)C1 ZINC000675059775 538485386 /nfs/dbraw/zinc/48/53/86/538485386.db2.gz LZCGGMOMOTYPLC-RWMBFGLXSA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H]([C@@H]2CCCC(C)(C)C2)C1 ZINC000675059776 538484985 /nfs/dbraw/zinc/48/49/85/538484985.db2.gz LZCGGMOMOTYPLC-XQQFMLRXSA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H]([C@@H]2CCCC(C)(C)C2)C1 ZINC000675059777 538485039 /nfs/dbraw/zinc/48/50/39/538485039.db2.gz LZCGGMOMOTYPLC-YNEHKIRRSA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[C@H]([C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000675059962 538485254 /nfs/dbraw/zinc/48/52/54/538485254.db2.gz ONTKRMSCVHXIBB-AGIUHOORSA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[C@@H]([C@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000675059963 538485233 /nfs/dbraw/zinc/48/52/33/538485233.db2.gz ONTKRMSCVHXIBB-FRRDWIJNSA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[C@@H]([C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000675059964 538485226 /nfs/dbraw/zinc/48/52/26/538485226.db2.gz ONTKRMSCVHXIBB-JHJVBQTASA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[C@H]([C@@H]2CCC[NH2+]C2)CC(C)(C)C1 ZINC000675059965 538484951 /nfs/dbraw/zinc/48/49/51/538484951.db2.gz ONTKRMSCVHXIBB-UPJWGTAASA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](C2CCC(C)(C)CC2)C1 ZINC000675060142 538486174 /nfs/dbraw/zinc/48/61/74/538486174.db2.gz SKFVCGXZIXHRCO-AAEUAGOBSA-N 1 0 209.377 3.448 10 0 BGAERO C[C@H]1C[NH2+]C[C@H](C2CCC(C)(C)CC2)C1 ZINC000675060143 538485938 /nfs/dbraw/zinc/48/59/38/538485938.db2.gz SKFVCGXZIXHRCO-DGCLKSJQSA-N 1 0 209.377 3.448 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H](C2CCC(C)(C)CC2)C1 ZINC000675060145 538485895 /nfs/dbraw/zinc/48/58/95/538485895.db2.gz SKFVCGXZIXHRCO-WCQYABFASA-N 1 0 209.377 3.448 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](C2CCC(C)(C)CC2)C1 ZINC000675060147 538486032 /nfs/dbraw/zinc/48/60/32/538486032.db2.gz SKFVCGXZIXHRCO-YPMHNXCESA-N 1 0 209.377 3.448 10 0 BGAERO CCC(C)(C)[C@@H]1CCc2cc(N)[nH+]cc2C1 ZINC000675064230 541466378 /nfs/dbraw/zinc/46/63/78/541466378.db2.gz XUSVHYFOFVUTOZ-GFCCVEGCSA-N 1 0 218.344 3.205 10 0 BGAERO CCC(C)(C)[C@H]1CCc2cc(N)[nH+]cc2C1 ZINC000675064232 541466296 /nfs/dbraw/zinc/46/62/96/541466296.db2.gz XUSVHYFOFVUTOZ-LBPRGKRZSA-N 1 0 218.344 3.205 10 0 BGAERO Cc1cn2c(n1)[C@@H](CCC(C)(C)C)[NH2+]CCC2 ZINC000675067369 538493743 /nfs/dbraw/zinc/49/37/43/538493743.db2.gz BFKZNZXRYPSZPW-GFCCVEGCSA-N 1 0 235.375 3.052 10 0 BGAERO Cc1cn2c(n1)[C@H](CCC(C)(C)C)[NH2+]CCC2 ZINC000675067370 538493810 /nfs/dbraw/zinc/49/38/10/538493810.db2.gz BFKZNZXRYPSZPW-LBPRGKRZSA-N 1 0 235.375 3.052 10 0 BGAERO Cc1cn2c(n1)[C@@H](CCCC(C)C)[NH2+]CCC2 ZINC000675069797 538499474 /nfs/dbraw/zinc/49/94/74/538499474.db2.gz YLELWYHXEGVPLT-CYBMUJFWSA-N 1 0 235.375 3.052 10 0 BGAERO Cc1cn2c(n1)[C@H](CCCC(C)C)[NH2+]CCC2 ZINC000675069802 538499153 /nfs/dbraw/zinc/49/91/53/538499153.db2.gz YLELWYHXEGVPLT-ZDUSSCGKSA-N 1 0 235.375 3.052 10 0 BGAERO CCCCc1ccc2nc(OC)c(C[NH3+])cc2c1 ZINC000675070031 538500342 /nfs/dbraw/zinc/50/03/42/538500342.db2.gz OPESNKXSGCORLL-UHFFFAOYSA-N 1 0 244.338 3.045 10 0 BGAERO CCC(C)(C)C1CCC2(CC1)OCC[C@@H]2[NH3+] ZINC000675070157 538500458 /nfs/dbraw/zinc/50/04/58/538500458.db2.gz MOEDYZVRYXIYKG-LXVYMNJGSA-N 1 0 225.376 3.099 10 0 BGAERO CCC(C)(C)C1CCC2(CC1)OCC[C@H]2[NH3+] ZINC000675070158 538499958 /nfs/dbraw/zinc/49/99/58/538499958.db2.gz MOEDYZVRYXIYKG-MBHSVXNSSA-N 1 0 225.376 3.099 10 0 BGAERO CCC(CC)[NH2+][C@@H]1Cc2cccc(F)c21 ZINC000675070372 538501155 /nfs/dbraw/zinc/50/11/55/538501155.db2.gz VLRIJEWFQPLTOB-GFCCVEGCSA-N 1 0 207.292 3.201 10 0 BGAERO CCC(CC)[NH2+][C@H]1Cc2cccc(F)c21 ZINC000675070373 538501238 /nfs/dbraw/zinc/50/12/38/538501238.db2.gz VLRIJEWFQPLTOB-LBPRGKRZSA-N 1 0 207.292 3.201 10 0 BGAERO FC(F)(F)[C@@]1(c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000675072387 538503409 /nfs/dbraw/zinc/50/34/09/538503409.db2.gz FEMBNVFIPIVANB-JTQLQIEISA-N 1 0 249.663 3.133 10 0 BGAERO FC(F)(F)[C@]1(c2ccc(Cl)cc2)CC[NH2+]C1 ZINC000675072389 538503330 /nfs/dbraw/zinc/50/33/30/538503330.db2.gz FEMBNVFIPIVANB-SNVBAGLBSA-N 1 0 249.663 3.133 10 0 BGAERO Cc1cc(-c2ccc(C[NH3+])s2)c(C)cc1C=O ZINC000675072560 538503271 /nfs/dbraw/zinc/50/32/71/538503271.db2.gz JIGBHZJBNGFFPC-UHFFFAOYSA-N 1 0 245.347 3.303 10 0 BGAERO CCC(C)(C)c1ccc2c(c1)[C@@H](C[NH3+])CCO2 ZINC000675072615 538503474 /nfs/dbraw/zinc/50/34/74/538503474.db2.gz ARULMLOXBGOZFS-LLVKDONJSA-N 1 0 233.355 3.199 10 0 BGAERO CCC(C)(C)c1ccc2c(c1)[C@H](C[NH3+])CCO2 ZINC000675072616 538503185 /nfs/dbraw/zinc/50/31/85/538503185.db2.gz ARULMLOXBGOZFS-NSHDSACASA-N 1 0 233.355 3.199 10 0 BGAERO CC[C@H](C)c1ccc2c(c1)[C@@H](C[NH3+])CCO2 ZINC000675072652 538503615 /nfs/dbraw/zinc/50/36/15/538503615.db2.gz BWACBPDCXNKVHK-CMPLNLGQSA-N 1 0 219.328 3.025 10 0 BGAERO CC[C@H](C)c1ccc2c(c1)[C@H](C[NH3+])CCO2 ZINC000675072653 538503225 /nfs/dbraw/zinc/50/32/25/538503225.db2.gz BWACBPDCXNKVHK-JQWIXIFHSA-N 1 0 219.328 3.025 10 0 BGAERO CC[C@@H](C)c1ccc2c(c1)[C@H](C[NH3+])CCO2 ZINC000675072654 538503124 /nfs/dbraw/zinc/50/31/24/538503124.db2.gz BWACBPDCXNKVHK-PWSUYJOCSA-N 1 0 219.328 3.025 10 0 BGAERO CC[C@@H](C)c1ccc2c(c1)[C@@H](C[NH3+])CCO2 ZINC000675072655 538503086 /nfs/dbraw/zinc/50/30/86/538503086.db2.gz BWACBPDCXNKVHK-ZYHUDNBSSA-N 1 0 219.328 3.025 10 0 BGAERO Cc1cc([C@@H]([NH3+])CC(C)C)c(C)cc1C=O ZINC000675072751 538504191 /nfs/dbraw/zinc/50/41/91/538504191.db2.gz LHHSHJGZOZZTGV-AWEZNQCLSA-N 1 0 219.328 3.162 10 0 BGAERO Cc1cc([C@H]([NH3+])CC(C)C)c(C)cc1C=O ZINC000675072755 538503885 /nfs/dbraw/zinc/50/38/85/538503885.db2.gz LHHSHJGZOZZTGV-CQSZACIVSA-N 1 0 219.328 3.162 10 0 BGAERO Cc1cc(-c2cc(C)c(C=O)cc2C)cc(N)[nH+]1 ZINC000675072813 538503970 /nfs/dbraw/zinc/50/39/70/538503970.db2.gz MVFYEYHPUPZTFJ-UHFFFAOYSA-N 1 0 240.306 3.069 10 0 BGAERO CC[C@@H](C)c1cccc2c1OCC[C@@H]2C[NH3+] ZINC000675073900 538506512 /nfs/dbraw/zinc/50/65/12/538506512.db2.gz OLGWMNAXFJROLA-GHMZBOCLSA-N 1 0 219.328 3.025 10 0 BGAERO CC[C@@H](C)c1cccc2c1OCC[C@H]2C[NH3+] ZINC000675073908 538506449 /nfs/dbraw/zinc/50/64/49/538506449.db2.gz OLGWMNAXFJROLA-MNOVXSKESA-N 1 0 219.328 3.025 10 0 BGAERO CC[C@H](C)c1cccc2c1OCC[C@H]2C[NH3+] ZINC000675073911 538506339 /nfs/dbraw/zinc/50/63/39/538506339.db2.gz OLGWMNAXFJROLA-QWRGUYRKSA-N 1 0 219.328 3.025 10 0 BGAERO CC[C@H](C)c1cccc2c1OCC[C@@H]2C[NH3+] ZINC000675073915 538506276 /nfs/dbraw/zinc/50/62/76/538506276.db2.gz OLGWMNAXFJROLA-WDEREUQCSA-N 1 0 219.328 3.025 10 0 BGAERO CC(C)C(=O)CCC[NH+]1CCC(C)(C)CC1 ZINC000675074994 538508077 /nfs/dbraw/zinc/50/80/77/538508077.db2.gz FFFVAMLZSGAACH-UHFFFAOYSA-N 1 0 225.376 3.114 10 0 BGAERO CC(C)C(=O)CCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000675075109 538508414 /nfs/dbraw/zinc/50/84/14/538508414.db2.gz GRUPVKIRRFPIPN-BETUJISGSA-N 1 0 225.376 3.255 10 0 BGAERO CC(C)C(=O)CCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000675075110 538508297 /nfs/dbraw/zinc/50/82/97/538508297.db2.gz GRUPVKIRRFPIPN-CHWSQXEVSA-N 1 0 225.376 3.255 10 0 BGAERO CC(C)C(=O)CCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000675075111 538508469 /nfs/dbraw/zinc/50/84/69/538508469.db2.gz GRUPVKIRRFPIPN-STQMWFEESA-N 1 0 225.376 3.255 10 0 BGAERO CCCC[N@H+](CCO)Cc1ccccc1C(C)C ZINC000675075514 538509154 /nfs/dbraw/zinc/50/91/54/538509154.db2.gz QLAIVVJLNRFFKM-UHFFFAOYSA-N 1 0 249.398 3.404 10 0 BGAERO C[C@@H]1CC[C@H](C)c2sc(CCC[NH3+])nc21 ZINC000675075563 538509888 /nfs/dbraw/zinc/50/98/88/538509888.db2.gz AWHCMRCLIUEPPG-BDAKNGLRSA-N 1 0 224.373 3.035 10 0 BGAERO C[C@@H]1CC[C@H](C)c2nc(CCC[NH3+])sc21 ZINC000675075564 538509609 /nfs/dbraw/zinc/50/96/09/538509609.db2.gz AWHCMRCLIUEPPG-DTWKUNHWSA-N 1 0 224.373 3.035 10 0 BGAERO C[C@H]1CC[C@H](C)c2sc(CCC[NH3+])nc21 ZINC000675075565 538509446 /nfs/dbraw/zinc/50/94/46/538509446.db2.gz AWHCMRCLIUEPPG-IUCAKERBSA-N 1 0 224.373 3.035 10 0 BGAERO C[C@@H]1CC[C@@H](C)c2sc(CCC[NH3+])nc21 ZINC000675075566 538510041 /nfs/dbraw/zinc/51/00/41/538510041.db2.gz AWHCMRCLIUEPPG-RKDXNWHRSA-N 1 0 224.373 3.035 10 0 BGAERO CC(C)C(=O)CCC[N@H+](C)C1CCCCC1 ZINC000675075599 538509934 /nfs/dbraw/zinc/50/99/34/538509934.db2.gz SAHBTGDLPDOOBE-UHFFFAOYSA-N 1 0 225.376 3.256 10 0 BGAERO CCC[NH+](CCC)CCCC(=O)C(C)C ZINC000675075848 537888226 /nfs/dbraw/zinc/88/82/26/537888226.db2.gz VPQYPNBYNNPFOA-UHFFFAOYSA-N 1 0 213.365 3.114 10 0 BGAERO CC(C)C(=O)CCC[NH+](C(C)C)C(C)C ZINC000675075870 538510854 /nfs/dbraw/zinc/51/08/54/538510854.db2.gz WAPWMSBRYLTHIX-UHFFFAOYSA-N 1 0 213.365 3.111 10 0 BGAERO CC(C)C(=O)CCC[N@@H+]1CCC[C@@H](C)[C@H]1C ZINC000675076145 538510226 /nfs/dbraw/zinc/51/02/26/538510226.db2.gz ZQLMGNUEEIEZQG-CHWSQXEVSA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)C(=O)CCC[N@@H+]1CCC[C@@H](C)[C@@H]1C ZINC000675076146 538510431 /nfs/dbraw/zinc/51/04/31/538510431.db2.gz ZQLMGNUEEIEZQG-OLZOCXBDSA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)C(=O)CCC[N@@H+]1CCC[C@H](C)[C@H]1C ZINC000675076147 538510654 /nfs/dbraw/zinc/51/06/54/538510654.db2.gz ZQLMGNUEEIEZQG-QWHCGFSZSA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)C(=O)CCC[N@@H+]1CCC[C@H](C)[C@@H]1C ZINC000675076149 538510158 /nfs/dbraw/zinc/51/01/58/538510158.db2.gz ZQLMGNUEEIEZQG-STQMWFEESA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)(C)[C@@H]1CCCc2sc(C[NH3+])nc21 ZINC000675076247 538510709 /nfs/dbraw/zinc/51/07/09/538510709.db2.gz MDPFQVGOZGUFLG-MRVPVSSYSA-N 1 0 224.373 3.068 10 0 BGAERO CC(C)(C)[C@H]1CCCc2sc(C[NH3+])nc21 ZINC000675076248 538510798 /nfs/dbraw/zinc/51/07/98/538510798.db2.gz MDPFQVGOZGUFLG-QMMMGPOBSA-N 1 0 224.373 3.068 10 0 BGAERO CC(C)(C)[C@@H]1CCCc2sc(CC[NH3+])nc21 ZINC000675076793 538511389 /nfs/dbraw/zinc/51/13/89/538511389.db2.gz RAUFSSSZVDGNRZ-SECBINFHSA-N 1 0 238.400 3.110 10 0 BGAERO CC(C)(C)[C@H]1CCCc2sc(CC[NH3+])nc21 ZINC000675076799 538510997 /nfs/dbraw/zinc/51/09/97/538510997.db2.gz RAUFSSSZVDGNRZ-VIFPVBQESA-N 1 0 238.400 3.110 10 0 BGAERO C[C@H]1Cc2c(cccc2C(F)(F)F)[C@@H]([NH3+])C1 ZINC000675077433 538514364 /nfs/dbraw/zinc/51/43/64/538514364.db2.gz FALAMKGLJBBRIE-CPCISQLKSA-N 1 0 229.245 3.288 10 0 BGAERO C[C@@H]1Cc2c(cccc2C(F)(F)F)[C@@H]([NH3+])C1 ZINC000675077434 538513922 /nfs/dbraw/zinc/51/39/22/538513922.db2.gz FALAMKGLJBBRIE-HQJQHLMTSA-N 1 0 229.245 3.288 10 0 BGAERO C[C@@H]1Cc2c(cccc2C(F)(F)F)[C@H]([NH3+])C1 ZINC000675077435 538513917 /nfs/dbraw/zinc/51/39/17/538513917.db2.gz FALAMKGLJBBRIE-RDDDGLTNSA-N 1 0 229.245 3.288 10 0 BGAERO C[C@H]1Cc2c(cccc2C(F)(F)F)[C@H]([NH3+])C1 ZINC000675077436 538514310 /nfs/dbraw/zinc/51/43/10/538514310.db2.gz FALAMKGLJBBRIE-WRWORJQWSA-N 1 0 229.245 3.288 10 0 BGAERO C[C@H]1Cc2ccc(C(F)(F)F)cc2[C@@H]([NH3+])C1 ZINC000675078775 538516156 /nfs/dbraw/zinc/51/61/56/538516156.db2.gz SKSIGDKPJVLJKY-CPCISQLKSA-N 1 0 229.245 3.288 10 0 BGAERO C[C@@H]1Cc2ccc(C(F)(F)F)cc2[C@@H]([NH3+])C1 ZINC000675078776 538516274 /nfs/dbraw/zinc/51/62/74/538516274.db2.gz SKSIGDKPJVLJKY-HQJQHLMTSA-N 1 0 229.245 3.288 10 0 BGAERO C[C@@H]1Cc2ccc(C(F)(F)F)cc2[C@H]([NH3+])C1 ZINC000675078777 538516448 /nfs/dbraw/zinc/51/64/48/538516448.db2.gz SKSIGDKPJVLJKY-RDDDGLTNSA-N 1 0 229.245 3.288 10 0 BGAERO C[C@H]1Cc2ccc(C(F)(F)F)cc2[C@H]([NH3+])C1 ZINC000675078778 538516256 /nfs/dbraw/zinc/51/62/56/538516256.db2.gz SKSIGDKPJVLJKY-WRWORJQWSA-N 1 0 229.245 3.288 10 0 BGAERO CC(C)c1csc(-c2ccc(C[NH3+])s2)n1 ZINC000675079805 538518771 /nfs/dbraw/zinc/51/87/71/538518771.db2.gz JAHBKHLKQIYMCO-UHFFFAOYSA-N 1 0 238.381 3.454 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cc2cc(F)c(F)cc2o1 ZINC000675081071 538521759 /nfs/dbraw/zinc/52/17/59/538521759.db2.gz FFRKFNFXACJVNL-GFCCVEGCSA-N 1 0 225.238 3.367 10 0 BGAERO CC(C)[C@H]([NH3+])c1cc2cc(F)c(F)cc2o1 ZINC000675081072 538521542 /nfs/dbraw/zinc/52/15/42/538521542.db2.gz FFRKFNFXACJVNL-LBPRGKRZSA-N 1 0 225.238 3.367 10 0 BGAERO CCC[C@@H]([NH3+])c1cc2ccc(OC)cc2o1 ZINC000675081123 538520707 /nfs/dbraw/zinc/52/07/07/538520707.db2.gz IDACGGRVWVUELG-LLVKDONJSA-N 1 0 219.284 3.241 10 0 BGAERO CCC[C@H]([NH3+])c1cc2ccc(OC)cc2o1 ZINC000675081124 538520863 /nfs/dbraw/zinc/52/08/63/538520863.db2.gz IDACGGRVWVUELG-NSHDSACASA-N 1 0 219.284 3.241 10 0 BGAERO Cc1ccc2cc([C@H]([NH3+])C(C)C)oc2c1 ZINC000675081129 538520746 /nfs/dbraw/zinc/52/07/46/538520746.db2.gz IKTQCGYGUYFKIV-CYBMUJFWSA-N 1 0 203.285 3.397 10 0 BGAERO Cc1ccc2cc([C@@H]([NH3+])C(C)C)oc2c1 ZINC000675081130 538520541 /nfs/dbraw/zinc/52/05/41/538520541.db2.gz IKTQCGYGUYFKIV-ZDUSSCGKSA-N 1 0 203.285 3.397 10 0 BGAERO CCC[C@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081277 538521298 /nfs/dbraw/zinc/52/12/98/538521298.db2.gz PHZHBWQGZISVSM-JTQLQIEISA-N 1 0 207.248 3.372 10 0 BGAERO CCC[C@@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081278 538521116 /nfs/dbraw/zinc/52/11/16/538521116.db2.gz PHZHBWQGZISVSM-SNVBAGLBSA-N 1 0 207.248 3.372 10 0 BGAERO CC(C)[C@@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081284 538521258 /nfs/dbraw/zinc/52/12/58/538521258.db2.gz PKPRIKILTZMXDH-GFCCVEGCSA-N 1 0 207.248 3.228 10 0 BGAERO CC(C)[C@H]([NH3+])c1cc2ccc(F)cc2o1 ZINC000675081285 538521724 /nfs/dbraw/zinc/52/17/24/538521724.db2.gz PKPRIKILTZMXDH-LBPRGKRZSA-N 1 0 207.248 3.228 10 0 BGAERO Cc1ccc2oc([C@@H]([NH3+])CC(C)C)cc2n1 ZINC000675081315 538521420 /nfs/dbraw/zinc/52/14/20/538521420.db2.gz QLSOLNPDFTVAHY-JTQLQIEISA-N 1 0 218.300 3.182 10 0 BGAERO Cc1ccc2oc([C@H]([NH3+])CC(C)C)cc2n1 ZINC000675081316 538521558 /nfs/dbraw/zinc/52/15/58/538521558.db2.gz QLSOLNPDFTVAHY-SNVBAGLBSA-N 1 0 218.300 3.182 10 0 BGAERO [NH3+][C@H](CC1CC1)c1cc2ccc(F)cc2o1 ZINC000675081343 538521496 /nfs/dbraw/zinc/52/14/96/538521496.db2.gz ROEPEVZZFDOZDM-LLVKDONJSA-N 1 0 219.259 3.372 10 0 BGAERO [NH3+][C@@H](CC1CC1)c1cc2ccc(F)cc2o1 ZINC000675081344 538521364 /nfs/dbraw/zinc/52/13/64/538521364.db2.gz ROEPEVZZFDOZDM-NSHDSACASA-N 1 0 219.259 3.372 10 0 BGAERO Cc1cccc2oc([C@H]([NH3+])C(C)C)cc21 ZINC000675081873 538523032 /nfs/dbraw/zinc/52/30/32/538523032.db2.gz XZDIPWZTBLQAPT-CYBMUJFWSA-N 1 0 203.285 3.397 10 0 BGAERO Cc1cccc2oc([C@@H]([NH3+])C(C)C)cc21 ZINC000675081874 538523426 /nfs/dbraw/zinc/52/34/26/538523426.db2.gz XZDIPWZTBLQAPT-ZDUSSCGKSA-N 1 0 203.285 3.397 10 0 BGAERO F[C@H]1C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000675082249 538523286 /nfs/dbraw/zinc/52/32/86/538523286.db2.gz GGMHKXHSYARIGA-NXEZZACHSA-N 1 0 233.208 3.078 10 0 BGAERO F[C@@H]1C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000675082253 538523420 /nfs/dbraw/zinc/52/34/20/538523420.db2.gz GGMHKXHSYARIGA-UWVGGRQHSA-N 1 0 233.208 3.078 10 0 BGAERO F[C@@H]1C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC000675082257 538522891 /nfs/dbraw/zinc/52/28/91/538522891.db2.gz GGMHKXHSYARIGA-VHSXEESVSA-N 1 0 233.208 3.078 10 0 BGAERO F[C@H]1C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000675082258 538523532 /nfs/dbraw/zinc/52/35/32/538523532.db2.gz GGMHKXHSYARIGA-ZJUUUORDSA-N 1 0 233.208 3.078 10 0 BGAERO CC(C)(C)c1ccc([C@H]2C[C@@H](F)C[NH2+]2)cc1 ZINC000675082568 538522926 /nfs/dbraw/zinc/52/29/26/538522926.db2.gz MJVNIZPFSAYVSS-CHWSQXEVSA-N 1 0 221.319 3.357 10 0 BGAERO CC(C)(C)c1ccc([C@@H]2C[C@@H](F)C[NH2+]2)cc1 ZINC000675082569 538523574 /nfs/dbraw/zinc/52/35/74/538523574.db2.gz MJVNIZPFSAYVSS-OLZOCXBDSA-N 1 0 221.319 3.357 10 0 BGAERO CC(C)(C)c1ccc([C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000675082570 538523276 /nfs/dbraw/zinc/52/32/76/538523276.db2.gz MJVNIZPFSAYVSS-QWHCGFSZSA-N 1 0 221.319 3.357 10 0 BGAERO CC(C)(C)c1ccc([C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000675082571 538523509 /nfs/dbraw/zinc/52/35/09/538523509.db2.gz MJVNIZPFSAYVSS-STQMWFEESA-N 1 0 221.319 3.357 10 0 BGAERO CC(C)Cc1ccc([C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000675082699 538524002 /nfs/dbraw/zinc/52/40/02/538524002.db2.gz XSCZGBHXHFJUCL-KBPBESRZSA-N 1 0 221.319 3.258 10 0 BGAERO CC(C)Cc1ccc([C@@H]2C[C@@H](F)C[NH2+]2)cc1 ZINC000675082700 538524453 /nfs/dbraw/zinc/52/44/53/538524453.db2.gz XSCZGBHXHFJUCL-KGLIPLIRSA-N 1 0 221.319 3.258 10 0 BGAERO CC(C)Cc1ccc([C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000675082701 538524473 /nfs/dbraw/zinc/52/44/73/538524473.db2.gz XSCZGBHXHFJUCL-UONOGXRCSA-N 1 0 221.319 3.258 10 0 BGAERO CC(C)Cc1ccc([C@H]2C[C@@H](F)C[NH2+]2)cc1 ZINC000675082702 538524729 /nfs/dbraw/zinc/52/47/29/538524729.db2.gz XSCZGBHXHFJUCL-ZIAGYGMSSA-N 1 0 221.319 3.258 10 0 BGAERO F[C@H]1C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000675082712 538524185 /nfs/dbraw/zinc/52/41/85/538524185.db2.gz YZXRKJXUFFTPRI-NXEZZACHSA-N 1 0 233.208 3.078 10 0 BGAERO F[C@@H]1C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000675082713 538523792 /nfs/dbraw/zinc/52/37/92/538523792.db2.gz YZXRKJXUFFTPRI-UWVGGRQHSA-N 1 0 233.208 3.078 10 0 BGAERO F[C@@H]1C[NH2+][C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000675082714 538523875 /nfs/dbraw/zinc/52/38/75/538523875.db2.gz YZXRKJXUFFTPRI-VHSXEESVSA-N 1 0 233.208 3.078 10 0 BGAERO F[C@H]1C[NH2+][C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000675082715 538524801 /nfs/dbraw/zinc/52/48/01/538524801.db2.gz YZXRKJXUFFTPRI-ZJUUUORDSA-N 1 0 233.208 3.078 10 0 BGAERO CC(C)c1ccc([C@H]2C[C@@H](F)C[NH2+]2)cc1 ZINC000675082717 538524328 /nfs/dbraw/zinc/52/43/28/538524328.db2.gz ZJWONOZIAOWMNY-CHWSQXEVSA-N 1 0 207.292 3.183 10 0 BGAERO CC(C)c1ccc([C@@H]2C[C@@H](F)C[NH2+]2)cc1 ZINC000675082718 538524090 /nfs/dbraw/zinc/52/40/90/538524090.db2.gz ZJWONOZIAOWMNY-OLZOCXBDSA-N 1 0 207.292 3.183 10 0 BGAERO CC(C)c1ccc([C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000675082719 538524173 /nfs/dbraw/zinc/52/41/73/538524173.db2.gz ZJWONOZIAOWMNY-QWHCGFSZSA-N 1 0 207.292 3.183 10 0 BGAERO CC(C)c1ccc([C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000675082720 538523925 /nfs/dbraw/zinc/52/39/25/538523925.db2.gz ZJWONOZIAOWMNY-STQMWFEESA-N 1 0 207.292 3.183 10 0 BGAERO C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CCc2ccccc21 ZINC000675935890 487794201 /nfs/dbraw/zinc/79/42/01/487794201.db2.gz PUUMRBUCIKIPGP-IOASZLSFSA-N 1 0 245.366 3.079 10 0 BGAERO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCc2ccccc21 ZINC000675935891 487794009 /nfs/dbraw/zinc/79/40/09/487794009.db2.gz PUUMRBUCIKIPGP-WWGRRREGSA-N 1 0 245.366 3.079 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]C2CCC(F)(F)CC2)o1 ZINC000678352620 488245571 /nfs/dbraw/zinc/24/55/71/488245571.db2.gz KUHRNFOCAGRYHU-SECBINFHSA-N 1 0 244.285 3.212 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]C2CCC(F)(F)CC2)o1 ZINC000678352621 488245725 /nfs/dbraw/zinc/24/57/25/488245725.db2.gz KUHRNFOCAGRYHU-VIFPVBQESA-N 1 0 244.285 3.212 10 0 BGAERO c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)nc1 ZINC000679574268 488358627 /nfs/dbraw/zinc/35/86/27/488358627.db2.gz IUGCODBWZGFZGL-CABCVRRESA-N 1 0 230.355 3.140 10 0 BGAERO c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)nc1 ZINC000679574275 488358742 /nfs/dbraw/zinc/35/87/42/488358742.db2.gz IUGCODBWZGFZGL-GJZGRUSLSA-N 1 0 230.355 3.140 10 0 BGAERO c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)nc1 ZINC000679574278 488358714 /nfs/dbraw/zinc/35/87/14/488358714.db2.gz IUGCODBWZGFZGL-HUUCEWRRSA-N 1 0 230.355 3.140 10 0 BGAERO c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)nc1 ZINC000679574286 488358804 /nfs/dbraw/zinc/35/88/04/488358804.db2.gz IUGCODBWZGFZGL-LSDHHAIUSA-N 1 0 230.355 3.140 10 0 BGAERO CC1(C)CCc2ccccc2[C@@H]1[NH2+]C1CSC1 ZINC000679627339 488360139 /nfs/dbraw/zinc/36/01/39/488360139.db2.gz FQPXCUBDFPEEHP-AWEZNQCLSA-N 1 0 247.407 3.405 10 0 BGAERO CC1(C)CCc2ccccc2[C@H]1[NH2+]C1CSC1 ZINC000679627342 488360200 /nfs/dbraw/zinc/36/02/00/488360200.db2.gz FQPXCUBDFPEEHP-CQSZACIVSA-N 1 0 247.407 3.405 10 0 BGAERO CC1CCC(C[NH2+]CCOCC2CCC2)CC1 ZINC000680885348 487664417 /nfs/dbraw/zinc/66/44/17/487664417.db2.gz QXAGRJPNRYNGLZ-UHFFFAOYSA-N 1 0 239.403 3.219 10 0 BGAERO CC[C@](C)(O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000682028790 487881878 /nfs/dbraw/zinc/88/18/78/487881878.db2.gz BNXNYRLZLMCSPH-HNNXBMFYSA-N 1 0 239.403 3.050 10 0 BGAERO CC[C@@](C)(O)C[NH+]1CCC(C2CCCC2)CC1 ZINC000682028791 487882437 /nfs/dbraw/zinc/88/24/37/487882437.db2.gz BNXNYRLZLMCSPH-OAHLLOKOSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@H](CC1CCC1)[NH2+]CC1C[C@H](C)O[C@@H](C)C1 ZINC000684963536 487476022 /nfs/dbraw/zinc/47/60/22/487476022.db2.gz SRJZJOBZAGFDFC-AGIUHOORSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H](CC1CCC1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000684963537 487475716 /nfs/dbraw/zinc/47/57/16/487475716.db2.gz SRJZJOBZAGFDFC-GUIRCDHDSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@H](CC1CCC1)[NH2+]CC1C[C@@H](C)O[C@H](C)C1 ZINC000684963538 487476089 /nfs/dbraw/zinc/47/60/89/487476089.db2.gz SRJZJOBZAGFDFC-JHJVBQTASA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H](CC1CCC1)[NH2+]C[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000684963539 487475872 /nfs/dbraw/zinc/47/58/72/487475872.db2.gz SRJZJOBZAGFDFC-XPCVCDNBSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)CC[NH2+]CC(C)(C)C1CCOCC1 ZINC000685946056 538887562 /nfs/dbraw/zinc/88/75/62/538887562.db2.gz CNDKMAHGZNMQKO-UHFFFAOYSA-N 1 0 227.392 3.075 10 0 BGAERO FC(F)(F)c1csc(C[NH2+]C2CCC2)c1 ZINC000685947182 538889031 /nfs/dbraw/zinc/88/90/31/538889031.db2.gz FPLVUIWLSVSYBG-UHFFFAOYSA-N 1 0 235.274 3.409 10 0 BGAERO CC(C)[NH2+]Cc1cc(C(F)(F)F)cs1 ZINC000685947356 538889316 /nfs/dbraw/zinc/88/93/16/538889316.db2.gz JZEPGQJDXVNWID-UHFFFAOYSA-N 1 0 223.263 3.265 10 0 BGAERO FC(F)(F)c1csc(C[NH2+]C2CC2)c1 ZINC000685947507 541496679 /nfs/dbraw/zinc/49/66/79/541496679.db2.gz LIFQAEXJUGZILZ-UHFFFAOYSA-N 1 0 221.247 3.019 10 0 BGAERO CC[C@@H](C)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000685947652 538889547 /nfs/dbraw/zinc/88/95/47/538889547.db2.gz NEVMQTFTVKTDCT-CHWSQXEVSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@@H](C)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000685947656 538889748 /nfs/dbraw/zinc/88/97/48/538889748.db2.gz NEVMQTFTVKTDCT-OLZOCXBDSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@H](C)C[NH2+][C@@H]1CCOC12CCCCC2 ZINC000685947657 538889796 /nfs/dbraw/zinc/88/97/96/538889796.db2.gz NEVMQTFTVKTDCT-QWHCGFSZSA-N 1 0 225.376 3.114 10 0 BGAERO CC[C@H](C)C[NH2+][C@H]1CCOC12CCCCC2 ZINC000685947658 538889678 /nfs/dbraw/zinc/88/96/78/538889678.db2.gz NEVMQTFTVKTDCT-STQMWFEESA-N 1 0 225.376 3.114 10 0 BGAERO CC(C)CC[NH2+][C@@H]1CCOC12CCCCC2 ZINC000685947680 538889465 /nfs/dbraw/zinc/88/94/65/538889465.db2.gz NVSDJGDRBCPCHB-CYBMUJFWSA-N 1 0 225.376 3.114 10 0 BGAERO CC(C)CC[NH2+][C@H]1CCOC12CCCCC2 ZINC000685947682 538889768 /nfs/dbraw/zinc/88/97/68/538889768.db2.gz NVSDJGDRBCPCHB-ZDUSSCGKSA-N 1 0 225.376 3.114 10 0 BGAERO CCCC[NH2+]Cc1ccc(CC(C)C)nc1 ZINC000685947746 538889863 /nfs/dbraw/zinc/88/98/63/538889863.db2.gz PAGSUKAKLFVDCG-UHFFFAOYSA-N 1 0 220.360 3.170 10 0 BGAERO CCC[NH2+]Cc1cc(C(F)(F)F)cs1 ZINC000685947834 538889834 /nfs/dbraw/zinc/88/98/34/538889834.db2.gz QNTBERGQGDHFHF-UHFFFAOYSA-N 1 0 223.263 3.267 10 0 BGAERO CCC[NH2+]CC[C@@H]1C[C@@H]1Cc1ccccc1 ZINC000685948422 538891021 /nfs/dbraw/zinc/89/10/21/538891021.db2.gz NJHWNRGOEMBMKA-CABCVRRESA-N 1 0 217.356 3.255 10 0 BGAERO CCC[NH2+]CC[C@H]1C[C@@H]1Cc1ccccc1 ZINC000685948423 538891166 /nfs/dbraw/zinc/89/11/66/538891166.db2.gz NJHWNRGOEMBMKA-GJZGRUSLSA-N 1 0 217.356 3.255 10 0 BGAERO CCC[NH2+]CC[C@@H]1C[C@H]1Cc1ccccc1 ZINC000685948424 538890716 /nfs/dbraw/zinc/89/07/16/538890716.db2.gz NJHWNRGOEMBMKA-HUUCEWRRSA-N 1 0 217.356 3.255 10 0 BGAERO CCC[NH2+]CC[C@H]1C[C@H]1Cc1ccccc1 ZINC000685948425 538891125 /nfs/dbraw/zinc/89/11/25/538891125.db2.gz NJHWNRGOEMBMKA-LSDHHAIUSA-N 1 0 217.356 3.255 10 0 BGAERO CCC(CC)c1ccc2c(c1)OCC[NH2+]C2 ZINC000685948849 538891862 /nfs/dbraw/zinc/89/18/62/538891862.db2.gz UHPLACZNSMGMRS-UHFFFAOYSA-N 1 0 219.328 3.072 10 0 BGAERO [NH3+][C@H]1C[C@@]12CC=C(c1ccc(F)cc1)CC2 ZINC000685950072 538893400 /nfs/dbraw/zinc/89/34/00/538893400.db2.gz GZIOEDIODMTURF-KBPBESRZSA-N 1 0 217.287 3.110 10 0 BGAERO [NH3+][C@@H]1C[C@@]12CC=C(c1ccc(F)cc1)CC2 ZINC000685950077 538893595 /nfs/dbraw/zinc/89/35/95/538893595.db2.gz GZIOEDIODMTURF-KGLIPLIRSA-N 1 0 217.287 3.110 10 0 BGAERO [NH3+][C@H]1C[C@]12CC=C(c1ccc(F)cc1)CC2 ZINC000685950078 538893499 /nfs/dbraw/zinc/89/34/99/538893499.db2.gz GZIOEDIODMTURF-UONOGXRCSA-N 1 0 217.287 3.110 10 0 BGAERO [NH3+][C@@H]1C[C@]12CC=C(c1ccc(F)cc1)CC2 ZINC000685950079 538893561 /nfs/dbraw/zinc/89/35/61/538893561.db2.gz GZIOEDIODMTURF-ZIAGYGMSSA-N 1 0 217.287 3.110 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc([C@@H]2CCO2)cc1 ZINC000685950334 538893910 /nfs/dbraw/zinc/89/39/10/538893910.db2.gz NPAIZXMPBPYBKK-KBPBESRZSA-N 1 0 219.328 3.194 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc([C@@H]2CCO2)cc1 ZINC000685950335 538893943 /nfs/dbraw/zinc/89/39/43/538893943.db2.gz NPAIZXMPBPYBKK-KGLIPLIRSA-N 1 0 219.328 3.194 10 0 BGAERO CC(C)C[C@H]([NH3+])c1ccc([C@H]2CCO2)cc1 ZINC000685950336 538893776 /nfs/dbraw/zinc/89/37/76/538893776.db2.gz NPAIZXMPBPYBKK-UONOGXRCSA-N 1 0 219.328 3.194 10 0 BGAERO CC(C)C[C@@H]([NH3+])c1ccc([C@H]2CCO2)cc1 ZINC000685950338 538894002 /nfs/dbraw/zinc/89/40/02/538894002.db2.gz NPAIZXMPBPYBKK-ZIAGYGMSSA-N 1 0 219.328 3.194 10 0 BGAERO [NH3+][C@H]1C[C@@]12CC=C(c1cccc(F)c1)CC2 ZINC000685950748 538894820 /nfs/dbraw/zinc/89/48/20/538894820.db2.gz YATRRJWYBOPJQQ-KBPBESRZSA-N 1 0 217.287 3.110 10 0 BGAERO [NH3+][C@@H]1C[C@@]12CC=C(c1cccc(F)c1)CC2 ZINC000685950749 538894682 /nfs/dbraw/zinc/89/46/82/538894682.db2.gz YATRRJWYBOPJQQ-KGLIPLIRSA-N 1 0 217.287 3.110 10 0 BGAERO [NH3+][C@H]1C[C@]12CC=C(c1cccc(F)c1)CC2 ZINC000685950750 538894825 /nfs/dbraw/zinc/89/48/25/538894825.db2.gz YATRRJWYBOPJQQ-UONOGXRCSA-N 1 0 217.287 3.110 10 0 BGAERO [NH3+][C@@H]1C[C@]12CC=C(c1cccc(F)c1)CC2 ZINC000685950751 538894836 /nfs/dbraw/zinc/89/48/36/538894836.db2.gz YATRRJWYBOPJQQ-ZIAGYGMSSA-N 1 0 217.287 3.110 10 0 BGAERO CCC[N@@H+]1CCC(=O)C12CCC(CC)CC2 ZINC000685954360 538897182 /nfs/dbraw/zinc/89/71/82/538897182.db2.gz MGHVILOXRRMYOI-UHFFFAOYSA-N 1 0 223.360 3.010 10 0 BGAERO CC(C)[N@@H+]1CCC(=O)[C@@]12CCCC(C)(C)C2 ZINC000685954863 538900015 /nfs/dbraw/zinc/90/00/15/538900015.db2.gz QCXGXPZSSGJHNL-AWEZNQCLSA-N 1 0 223.360 3.009 10 0 BGAERO CCC1CCC2(CC1)C(=O)CC[N@@H+]2C(C)C ZINC000685955070 538899610 /nfs/dbraw/zinc/89/96/10/538899610.db2.gz SEHGKLQTMDZLEB-UHFFFAOYSA-N 1 0 223.360 3.009 10 0 BGAERO CC(C)[N@@H+]1CCC(=O)C12CCC(C)(C)CC2 ZINC000685955099 538899892 /nfs/dbraw/zinc/89/98/92/538899892.db2.gz SXCFNZABTJZBRO-UHFFFAOYSA-N 1 0 223.360 3.009 10 0 BGAERO CCC[N@@H+]1CCC(=O)C12CCC(C)(C)CC2 ZINC000685955209 538900732 /nfs/dbraw/zinc/90/07/32/538900732.db2.gz WELPVSUKNSLEJF-UHFFFAOYSA-N 1 0 223.360 3.010 10 0 BGAERO CCC(C)(C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685958528 538906133 /nfs/dbraw/zinc/90/61/33/538906133.db2.gz HWLKGUIOZFFTKA-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO CCC(C)(CC)C(=O)C[NH2+]Cc1ccccc1 ZINC000685958541 538905796 /nfs/dbraw/zinc/90/57/96/538905796.db2.gz OUJIMINYFVWSNY-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO C[C@H](CC(=O)C[NH2+]Cc1ccccc1)C(C)(C)C ZINC000685959393 538906815 /nfs/dbraw/zinc/90/68/15/538906815.db2.gz UGDFFWAMONXPPB-CYBMUJFWSA-N 1 0 247.382 3.418 10 0 BGAERO C[C@@H](CC(=O)C[NH2+]Cc1ccccc1)C(C)(C)C ZINC000685959394 538906714 /nfs/dbraw/zinc/90/67/14/538906714.db2.gz UGDFFWAMONXPPB-ZDUSSCGKSA-N 1 0 247.382 3.418 10 0 BGAERO CC(C)=C(C)CCC(=O)C[NH2+]Cc1ccccc1 ZINC000685959631 538906675 /nfs/dbraw/zinc/90/66/75/538906675.db2.gz MEWPTAWRUYJFGC-UHFFFAOYSA-N 1 0 245.366 3.482 10 0 BGAERO CCC[C@@H](C)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685960256 538907747 /nfs/dbraw/zinc/90/77/47/538907747.db2.gz AOPUVILMVZSTTB-CYBMUJFWSA-N 1 0 233.355 3.172 10 0 BGAERO CCC[C@H](C)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685960257 538907777 /nfs/dbraw/zinc/90/77/77/538907777.db2.gz AOPUVILMVZSTTB-ZDUSSCGKSA-N 1 0 233.355 3.172 10 0 BGAERO CC[C@H](C)[C@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960299 538907766 /nfs/dbraw/zinc/90/77/66/538907766.db2.gz CLBQBJWMDDQKQW-KBPBESRZSA-N 1 0 247.382 3.418 10 0 BGAERO CC[C@@H](C)[C@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960300 538907451 /nfs/dbraw/zinc/90/74/51/538907451.db2.gz CLBQBJWMDDQKQW-KGLIPLIRSA-N 1 0 247.382 3.418 10 0 BGAERO CC[C@H](C)[C@@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960301 538907882 /nfs/dbraw/zinc/90/78/82/538907882.db2.gz CLBQBJWMDDQKQW-UONOGXRCSA-N 1 0 247.382 3.418 10 0 BGAERO CC[C@@H](C)[C@@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960302 538907514 /nfs/dbraw/zinc/90/75/14/538907514.db2.gz CLBQBJWMDDQKQW-ZIAGYGMSSA-N 1 0 247.382 3.418 10 0 BGAERO CCC[C@@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960303 538907454 /nfs/dbraw/zinc/90/74/54/538907454.db2.gz CPNCWJXMSCQKRW-CYBMUJFWSA-N 1 0 233.355 3.172 10 0 BGAERO CCC[C@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960304 538907810 /nfs/dbraw/zinc/90/78/10/538907810.db2.gz CPNCWJXMSCQKRW-ZDUSSCGKSA-N 1 0 233.355 3.172 10 0 BGAERO CCCCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960317 538907432 /nfs/dbraw/zinc/90/74/32/538907432.db2.gz DVTUXUAXTNSZJR-UHFFFAOYSA-N 1 0 233.355 3.316 10 0 BGAERO CC[C@@H](C)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960360 538907548 /nfs/dbraw/zinc/90/75/48/538907548.db2.gz GLJNZRJEXPEENO-CYBMUJFWSA-N 1 0 233.355 3.172 10 0 BGAERO CC[C@H](C)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960361 538907493 /nfs/dbraw/zinc/90/74/93/538907493.db2.gz GLJNZRJEXPEENO-ZDUSSCGKSA-N 1 0 233.355 3.172 10 0 BGAERO CC(C)CCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685960374 538907529 /nfs/dbraw/zinc/90/75/29/538907529.db2.gz HLNCJFFNJKCOQM-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO CCCCCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960390 538907644 /nfs/dbraw/zinc/90/76/44/538907644.db2.gz ILSDMYRGTNWOME-UHFFFAOYSA-N 1 0 233.355 3.316 10 0 BGAERO CCC(CC)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685960422 537944042 /nfs/dbraw/zinc/94/40/42/537944042.db2.gz KNLUYVBZDNMRFD-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO CC(C)(C)CCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960489 538907741 /nfs/dbraw/zinc/90/77/41/538907741.db2.gz MWAPFDRHCQDGFL-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO CCC(CC)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960515 538907490 /nfs/dbraw/zinc/90/74/90/538907490.db2.gz OISTZAYPBSVBBA-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO CC(C)[C@@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960526 538907637 /nfs/dbraw/zinc/90/76/37/538907637.db2.gz PDAGETQQFAOMJW-CYBMUJFWSA-N 1 0 233.355 3.028 10 0 BGAERO CC(C)[C@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960527 538907860 /nfs/dbraw/zinc/90/78/60/538907860.db2.gz PDAGETQQFAOMJW-ZDUSSCGKSA-N 1 0 233.355 3.028 10 0 BGAERO CC(C)C[C@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960589 538907510 /nfs/dbraw/zinc/90/75/10/538907510.db2.gz SXYJYMFRNQPZPN-AWEZNQCLSA-N 1 0 247.382 3.418 10 0 BGAERO CC(C)C[C@@H](C)C(=O)CC[NH2+]Cc1ccccc1 ZINC000685960590 538907562 /nfs/dbraw/zinc/90/75/62/538907562.db2.gz SXYJYMFRNQPZPN-CQSZACIVSA-N 1 0 247.382 3.418 10 0 BGAERO CC[C@@H](C)[C@@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960597 538907786 /nfs/dbraw/zinc/90/77/86/538907786.db2.gz UIMIQPGHXQXDFN-CHWSQXEVSA-N 1 0 233.355 3.028 10 0 BGAERO CC[C@@H](C)[C@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960598 538907870 /nfs/dbraw/zinc/90/78/70/538907870.db2.gz UIMIQPGHXQXDFN-OLZOCXBDSA-N 1 0 233.355 3.028 10 0 BGAERO CC[C@H](C)[C@@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960599 538907570 /nfs/dbraw/zinc/90/75/70/538907570.db2.gz UIMIQPGHXQXDFN-QWHCGFSZSA-N 1 0 233.355 3.028 10 0 BGAERO CC[C@H](C)[C@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960600 538907726 /nfs/dbraw/zinc/90/77/26/538907726.db2.gz UIMIQPGHXQXDFN-STQMWFEESA-N 1 0 233.355 3.028 10 0 BGAERO CC(C)C[C@H](C)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685960616 538907899 /nfs/dbraw/zinc/90/78/99/538907899.db2.gz UYMHYDBNFZNCMR-AWEZNQCLSA-N 1 0 247.382 3.418 10 0 BGAERO CC(C)C[C@@H](C)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685960617 538907839 /nfs/dbraw/zinc/90/78/39/538907839.db2.gz UYMHYDBNFZNCMR-CQSZACIVSA-N 1 0 247.382 3.418 10 0 BGAERO CC(C)C[C@@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960619 538907830 /nfs/dbraw/zinc/90/78/30/538907830.db2.gz UZCHGDXMMONFEB-CYBMUJFWSA-N 1 0 233.355 3.028 10 0 BGAERO CC(C)C[C@H](C)C(=O)C[NH2+]Cc1ccccc1 ZINC000685960620 538907496 /nfs/dbraw/zinc/90/74/96/538907496.db2.gz UZCHGDXMMONFEB-ZDUSSCGKSA-N 1 0 233.355 3.028 10 0 BGAERO CC(C)CCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685960672 538907466 /nfs/dbraw/zinc/90/74/66/538907466.db2.gz YAMBRSIVEVWKKP-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO CCC(C)(C)[NH2+]CCC1(CCOC)CCC1 ZINC000685960776 538908084 /nfs/dbraw/zinc/90/80/84/538908084.db2.gz BTAZNQCOVWJPOV-UHFFFAOYSA-N 1 0 227.392 3.362 10 0 BGAERO COCCC1(CC[NH2+]Cc2ccccc2)CCC1 ZINC000685960783 538908267 /nfs/dbraw/zinc/90/82/67/538908267.db2.gz BXXFJVKRQWZQBP-UHFFFAOYSA-N 1 0 247.382 3.373 10 0 BGAERO COC(C)(C)C[C@@H](C)C[NH2+]Cc1ccccc1 ZINC000685960855 538907736 /nfs/dbraw/zinc/90/77/36/538907736.db2.gz FSWFNUWQABYFLE-CYBMUJFWSA-N 1 0 235.371 3.227 10 0 BGAERO COC(C)(C)C[C@H](C)C[NH2+]Cc1ccccc1 ZINC000685960856 538907508 /nfs/dbraw/zinc/90/75/08/538907508.db2.gz FSWFNUWQABYFLE-ZDUSSCGKSA-N 1 0 235.371 3.227 10 0 BGAERO CCC[C@H](CCC[NH2+]C(CC)CC)OC ZINC000685960883 538907522 /nfs/dbraw/zinc/90/75/22/538907522.db2.gz GGFZLRRERHZYPL-CYBMUJFWSA-N 1 0 215.381 3.360 10 0 BGAERO CCC[C@@H](CCC[NH2+]C(CC)CC)OC ZINC000685960884 538907815 /nfs/dbraw/zinc/90/78/15/538907815.db2.gz GGFZLRRERHZYPL-ZDUSSCGKSA-N 1 0 215.381 3.360 10 0 BGAERO CCC[NH2+]CCC1(CCOC)CCCCC1 ZINC000685960913 538908153 /nfs/dbraw/zinc/90/81/53/538908153.db2.gz GXVBHMOCBLGPTP-UHFFFAOYSA-N 1 0 227.392 3.363 10 0 BGAERO CCC(C)(C)[NH2+]C[C@H](C)CC(C)(C)OC ZINC000685960993 538908126 /nfs/dbraw/zinc/90/81/26/538908126.db2.gz KVKHCTJBFHUZNC-LLVKDONJSA-N 1 0 215.381 3.216 10 0 BGAERO CCC(C)(C)[NH2+]C[C@@H](C)CC(C)(C)OC ZINC000685960994 538908086 /nfs/dbraw/zinc/90/80/86/538908086.db2.gz KVKHCTJBFHUZNC-NSHDSACASA-N 1 0 215.381 3.216 10 0 BGAERO CCC[C@H](CCC[NH2+]C(C)(C)CC)OC ZINC000685961186 538908212 /nfs/dbraw/zinc/90/82/12/538908212.db2.gz PGZMYGREZWMPRG-GFCCVEGCSA-N 1 0 215.381 3.360 10 0 BGAERO CCC[C@@H](CCC[NH2+]C(C)(C)CC)OC ZINC000685961187 538908102 /nfs/dbraw/zinc/90/81/02/538908102.db2.gz PGZMYGREZWMPRG-LBPRGKRZSA-N 1 0 215.381 3.360 10 0 BGAERO CC(C)C(C)(C)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685961236 538908238 /nfs/dbraw/zinc/90/82/38/538908238.db2.gz DUXBXWCHVGEGEX-UHFFFAOYSA-N 1 0 247.382 3.418 10 0 BGAERO CCC(CC)[NH2+]CCC1(CCOC)CCC1 ZINC000685961323 538908152 /nfs/dbraw/zinc/90/81/52/538908152.db2.gz QKXMQHYKZAIODE-UHFFFAOYSA-N 1 0 227.392 3.362 10 0 BGAERO CCC[C@@H](CCC[NH2+]Cc1ccccc1)OC ZINC000685961555 538908519 /nfs/dbraw/zinc/90/85/19/538908519.db2.gz SWJDUQKIPUTFAX-HNNXBMFYSA-N 1 0 235.371 3.372 10 0 BGAERO CCC[C@H](CCC[NH2+]Cc1ccccc1)OC ZINC000685961558 538908639 /nfs/dbraw/zinc/90/86/39/538908639.db2.gz SWJDUQKIPUTFAX-OAHLLOKOSA-N 1 0 235.371 3.372 10 0 BGAERO CCC(CC)[NH2+]C[C@H](C)CC(C)(C)OC ZINC000685961570 538908544 /nfs/dbraw/zinc/90/85/44/538908544.db2.gz TWGLYYYBCUIHNB-LLVKDONJSA-N 1 0 215.381 3.216 10 0 BGAERO CCC(CC)[NH2+]C[C@@H](C)CC(C)(C)OC ZINC000685961571 538908802 /nfs/dbraw/zinc/90/88/02/538908802.db2.gz TWGLYYYBCUIHNB-NSHDSACASA-N 1 0 215.381 3.216 10 0 BGAERO COCCC1(CC[NH2+]C2CC2)CCCCC1 ZINC000685961671 538908573 /nfs/dbraw/zinc/90/85/73/538908573.db2.gz UTBLRWYRSJADRS-UHFFFAOYSA-N 1 0 225.376 3.116 10 0 BGAERO CO[C@H](C)CCC[NH2+][C@H](C)c1ccccc1 ZINC000685961799 538908711 /nfs/dbraw/zinc/90/87/11/538908711.db2.gz WOFFGMMHGUZDGD-CHWSQXEVSA-N 1 0 221.344 3.152 10 0 BGAERO CO[C@H](C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000685961804 538908705 /nfs/dbraw/zinc/90/87/05/538908705.db2.gz WOFFGMMHGUZDGD-OLZOCXBDSA-N 1 0 221.344 3.152 10 0 BGAERO CO[C@@H](C)CCC[NH2+][C@H](C)c1ccccc1 ZINC000685961806 538908514 /nfs/dbraw/zinc/90/85/14/538908514.db2.gz WOFFGMMHGUZDGD-QWHCGFSZSA-N 1 0 221.344 3.152 10 0 BGAERO CO[C@@H](C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC000685961808 538908788 /nfs/dbraw/zinc/90/87/88/538908788.db2.gz WOFFGMMHGUZDGD-STQMWFEESA-N 1 0 221.344 3.152 10 0 BGAERO C=C/C=C/CCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685961870 538909183 /nfs/dbraw/zinc/90/91/83/538909183.db2.gz OXQCGVODPWNPLV-ONEGZZNKSA-N 1 0 243.350 3.258 10 0 BGAERO CC(C)=CCCC(=O)CC[NH2+]Cc1ccccc1 ZINC000685961873 538909151 /nfs/dbraw/zinc/90/91/51/538909151.db2.gz PEBYULKLMBHLPT-UHFFFAOYSA-N 1 0 245.366 3.482 10 0 BGAERO CCC(C)(C)CC(=O)C[NH2+]Cc1ccccc1 ZINC000685961888 538909031 /nfs/dbraw/zinc/90/90/31/538909031.db2.gz PTELWQALGTWLSN-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO COC(C)(C)C[C@@H](C)C[NH2+]C1CCCCC1 ZINC000685961929 538909393 /nfs/dbraw/zinc/90/93/93/538909393.db2.gz YFOYSESLCKZBQH-GFCCVEGCSA-N 1 0 227.392 3.360 10 0 BGAERO COC(C)(C)C[C@H](C)C[NH2+]C1CCCCC1 ZINC000685961930 538909217 /nfs/dbraw/zinc/90/92/17/538909217.db2.gz YFOYSESLCKZBQH-LBPRGKRZSA-N 1 0 227.392 3.360 10 0 BGAERO COCCC1(CC[NH2+]C(C)C)CCCCC1 ZINC000685961933 538909131 /nfs/dbraw/zinc/90/91/31/538909131.db2.gz YJBKBCVESVYJQB-UHFFFAOYSA-N 1 0 227.392 3.362 10 0 BGAERO CCC(C)(C)[NH2+]CC1(CCOC)CCCC1 ZINC000685961950 538909319 /nfs/dbraw/zinc/90/93/19/538909319.db2.gz YTKZADMLCZDPGO-UHFFFAOYSA-N 1 0 227.392 3.362 10 0 BGAERO CC(C)(C)CC(=O)CC[NH2+]Cc1ccccc1 ZINC000685961993 538909277 /nfs/dbraw/zinc/90/92/77/538909277.db2.gz QWTAQLPOZOIUBD-UHFFFAOYSA-N 1 0 233.355 3.172 10 0 BGAERO CC(C)=CCCC(=O)C[NH2+]Cc1ccccc1 ZINC000685962119 538909354 /nfs/dbraw/zinc/90/93/54/538909354.db2.gz UWCUXZWZHAAWIZ-UHFFFAOYSA-N 1 0 231.339 3.092 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]CC)c(C)c1 ZINC000685964621 541498264 /nfs/dbraw/zinc/49/82/64/541498264.db2.gz AHSVFLWCXRYMBT-UHFFFAOYSA-N 1 0 219.328 3.112 10 0 BGAERO C=C(OCC)c1ccc([C@H](CC)[NH2+]C)cc1 ZINC000685964681 566488273 /nfs/dbraw/zinc/48/82/73/566488273.db2.gz BOHDROGNMWXFDM-AWEZNQCLSA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1ccc([C@@H](CC)[NH2+]C)cc1 ZINC000685964685 566488302 /nfs/dbraw/zinc/48/83/02/566488302.db2.gz BOHDROGNMWXFDM-CQSZACIVSA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1cccc([C@@H](C)[NH2+]CC)c1 ZINC000685964698 566488295 /nfs/dbraw/zinc/48/82/95/566488295.db2.gz BVKHYLIBYKPNDR-LLVKDONJSA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1cccc([C@H](C)[NH2+]CC)c1 ZINC000685964699 566488323 /nfs/dbraw/zinc/48/83/23/566488323.db2.gz BVKHYLIBYKPNDR-NSHDSACASA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1ccc([C@H](C)[NH2+]CC)cc1 ZINC000685964961 644519694 /nfs/dbraw/zinc/51/96/94/644519694.db2.gz IJBQBJGEWMALLV-NSHDSACASA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1cc(Cl)ccc1C[NH2+]C ZINC000685964968 538911566 /nfs/dbraw/zinc/91/15/66/538911566.db2.gz ITYBNRPXKNQSFG-UHFFFAOYSA-N 1 0 225.719 3.067 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]C(C)C)cc1 ZINC000685964989 538911526 /nfs/dbraw/zinc/91/15/26/538911526.db2.gz JPTZGBJPFLNZMR-UHFFFAOYSA-N 1 0 219.328 3.192 10 0 BGAERO C=C(OCC)c1ccc(Cl)cc1C[NH2+]C ZINC000685964992 538911289 /nfs/dbraw/zinc/91/12/89/538911289.db2.gz JYFGQTQKTGBCOK-UHFFFAOYSA-N 1 0 225.719 3.067 10 0 BGAERO C=C(OCC)c1cc(C)ccc1C[NH2+]CC ZINC000685965004 538911457 /nfs/dbraw/zinc/91/14/57/538911457.db2.gz KKHRGVUARQKICV-UHFFFAOYSA-N 1 0 219.328 3.112 10 0 BGAERO C=C(OCC)c1cc(Cl)ccc1C[NH2+]CC ZINC000685965022 538911401 /nfs/dbraw/zinc/91/14/01/538911401.db2.gz LCNRLPOUTMJSBG-UHFFFAOYSA-N 1 0 239.746 3.457 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]CC)cc1C ZINC000685965024 538911491 /nfs/dbraw/zinc/91/14/91/538911491.db2.gz LETAXELWZOLWDA-UHFFFAOYSA-N 1 0 219.328 3.112 10 0 BGAERO C=C(OCC)c1csc([C@@H](C)[NH2+]CCC)n1 ZINC000685965123 538911362 /nfs/dbraw/zinc/91/13/62/538911362.db2.gz PKAMOFYXCVFGAP-SECBINFHSA-N 1 0 240.372 3.211 10 0 BGAERO C=C(OCC)c1csc([C@H](C)[NH2+]CCC)n1 ZINC000685965124 538911371 /nfs/dbraw/zinc/91/13/71/538911371.db2.gz PKAMOFYXCVFGAP-VIFPVBQESA-N 1 0 240.372 3.211 10 0 BGAERO C=C(OCC)c1ccc([C@H]([NH3+])CC)cc1 ZINC000685965134 538911560 /nfs/dbraw/zinc/91/15/60/538911560.db2.gz PSUDSGYPMNVSTP-CYBMUJFWSA-N 1 0 205.301 3.104 10 0 BGAERO C=C(OCC)c1ccc([C@@H]([NH3+])CC)cc1 ZINC000685965135 538911621 /nfs/dbraw/zinc/91/16/21/538911621.db2.gz PSUDSGYPMNVSTP-ZDUSSCGKSA-N 1 0 205.301 3.104 10 0 BGAERO C=C(OCC)c1ccccc1C[NH2+]C(C)C ZINC000685965139 538911531 /nfs/dbraw/zinc/91/15/31/538911531.db2.gz PYCJWBDAVIBGRT-UHFFFAOYSA-N 1 0 219.328 3.192 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]C)cc1Cl ZINC000685965163 538911515 /nfs/dbraw/zinc/91/15/15/538911515.db2.gz ROLAALYUXVTIPD-UHFFFAOYSA-N 1 0 225.719 3.067 10 0 BGAERO C=C(OCC)c1ccc([C@@H](C)[NH3+])c(Cl)c1 ZINC000685965168 538911468 /nfs/dbraw/zinc/91/14/68/538911468.db2.gz RSOSIYWBNSUYGG-MRVPVSSYSA-N 1 0 225.719 3.367 10 0 BGAERO C=C(OCC)c1ccc([C@H](C)[NH3+])c(Cl)c1 ZINC000685965169 538911368 /nfs/dbraw/zinc/91/13/68/538911368.db2.gz RSOSIYWBNSUYGG-QMMMGPOBSA-N 1 0 225.719 3.367 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]CCC)cc1 ZINC000685965175 538911370 /nfs/dbraw/zinc/91/13/70/538911370.db2.gz RYUSKRLTOGVYMI-UHFFFAOYSA-N 1 0 219.328 3.193 10 0 BGAERO C=C(OCC)c1ccccc1[C@@H](C)[NH2+]CC ZINC000685965227 538911385 /nfs/dbraw/zinc/91/13/85/538911385.db2.gz USUJBOQGZIBJJT-LLVKDONJSA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1ccccc1[C@H](C)[NH2+]CC ZINC000685965228 538911597 /nfs/dbraw/zinc/91/15/97/538911597.db2.gz USUJBOQGZIBJJT-NSHDSACASA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1ccc(Cl)c(C[NH2+]CC)c1 ZINC000685965250 538911397 /nfs/dbraw/zinc/91/13/97/538911397.db2.gz WALBILWIUFURTM-UHFFFAOYSA-N 1 0 239.746 3.457 10 0 BGAERO C=C(OCC)c1cccc([C@H](CC)[NH2+]C)c1 ZINC000685965255 538911349 /nfs/dbraw/zinc/91/13/49/538911349.db2.gz WDHSITIMXOSSAR-AWEZNQCLSA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1cccc([C@@H](CC)[NH2+]C)c1 ZINC000685965256 538911581 /nfs/dbraw/zinc/91/15/81/538911581.db2.gz WDHSITIMXOSSAR-CQSZACIVSA-N 1 0 219.328 3.364 10 0 BGAERO C=C(OCC)c1cc([C@@H](C)[NH2+]C)ccc1F ZINC000685965268 538911427 /nfs/dbraw/zinc/91/14/27/538911427.db2.gz WXBSCELQJPDWHR-SECBINFHSA-N 1 0 223.291 3.113 10 0 BGAERO C=C(OCC)c1cc([C@H](C)[NH2+]C)ccc1F ZINC000685965269 538911405 /nfs/dbraw/zinc/91/14/05/538911405.db2.gz WXBSCELQJPDWHR-VIFPVBQESA-N 1 0 223.291 3.113 10 0 BGAERO C=C(OCC)c1ccc(Cl)c(C[NH2+]C)c1 ZINC000685965307 538911493 /nfs/dbraw/zinc/91/14/93/538911493.db2.gz ZBVSBJZHOXTEBV-UHFFFAOYSA-N 1 0 225.719 3.067 10 0 BGAERO CC(C)(C)c1ccc2cc(CC[NH3+])oc2c1 ZINC000685965604 538912162 /nfs/dbraw/zinc/91/21/62/538912162.db2.gz LAEYXQJNDOGQLW-UHFFFAOYSA-N 1 0 217.312 3.232 10 0 BGAERO C=C(OCC)c1ccccc1C[NH2+]CCC ZINC000685965619 538912324 /nfs/dbraw/zinc/91/23/24/538912324.db2.gz LPNKJWIJCOBKAE-UHFFFAOYSA-N 1 0 219.328 3.193 10 0 BGAERO C=C(OCC)c1cccc(C[NH2+]C(C)C)c1 ZINC000685965644 538912448 /nfs/dbraw/zinc/91/24/48/538912448.db2.gz MRZBZXWHCPBHOP-UHFFFAOYSA-N 1 0 219.328 3.192 10 0 BGAERO COC(C)(C)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000700544237 711997449 /nfs/dbraw/zinc/99/74/49/711997449.db2.gz DFOGXJAVAQSEJN-UHFFFAOYSA-N 1 0 242.322 3.043 10 0 BGAERO C[C@@H]([NH2+]CC1CC2(CCC2)C1)c1cncc(F)c1 ZINC000700831561 712007162 /nfs/dbraw/zinc/00/71/62/712007162.db2.gz SCMOVCSRXFLODA-LLVKDONJSA-N 1 0 248.345 3.452 10 0 BGAERO CCC[C@@]1(C2CCC2)[NH2+]CCc2ccoc21 ZINC000701330335 582916162 /nfs/dbraw/zinc/91/61/62/582916162.db2.gz BCTVZKAINOGZHH-AWEZNQCLSA-N 1 0 219.328 3.221 10 0 BGAERO CCC[C@]1(C2CCC2)[NH2+]CCc2ccoc21 ZINC000701330338 582916075 /nfs/dbraw/zinc/91/60/75/582916075.db2.gz BCTVZKAINOGZHH-CQSZACIVSA-N 1 0 219.328 3.221 10 0 BGAERO CC1([C@@H]2[NH2+]CCc3ccoc32)CCCC1 ZINC000701332066 582916650 /nfs/dbraw/zinc/91/66/50/582916650.db2.gz QYMVVTZQXIBVOY-GFCCVEGCSA-N 1 0 205.301 3.047 10 0 BGAERO CC1([C@H]2[NH2+]CCc3ccoc32)CCCC1 ZINC000701332067 582916717 /nfs/dbraw/zinc/91/67/17/582916717.db2.gz QYMVVTZQXIBVOY-LBPRGKRZSA-N 1 0 205.301 3.047 10 0 BGAERO Cc1cc([C@H]2[NH2+]CCc3ccoc32)c(C)s1 ZINC000701332479 582916205 /nfs/dbraw/zinc/91/62/05/582916205.db2.gz BRLYLCWOXLDZSF-GFCCVEGCSA-N 1 0 233.336 3.193 10 0 BGAERO Cc1cc([C@@H]2[NH2+]CCc3ccoc32)c(C)s1 ZINC000701332480 582916624 /nfs/dbraw/zinc/91/66/24/582916624.db2.gz BRLYLCWOXLDZSF-LBPRGKRZSA-N 1 0 233.336 3.193 10 0 BGAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CCc1ccoc12 ZINC000701332814 582916012 /nfs/dbraw/zinc/91/60/12/582916012.db2.gz VIWSEXGYTYRTNK-BXUZGUMPSA-N 1 0 219.328 3.221 10 0 BGAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]CCc1ccoc12 ZINC000701332818 582916722 /nfs/dbraw/zinc/91/67/22/582916722.db2.gz VIWSEXGYTYRTNK-FZMZJTMJSA-N 1 0 219.328 3.221 10 0 BGAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CCc1ccoc12 ZINC000701332822 582916386 /nfs/dbraw/zinc/91/63/86/582916386.db2.gz VIWSEXGYTYRTNK-RISCZKNCSA-N 1 0 219.328 3.221 10 0 BGAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CCc1ccoc12 ZINC000701332827 582915946 /nfs/dbraw/zinc/91/59/46/582915946.db2.gz VIWSEXGYTYRTNK-SMDDNHRTSA-N 1 0 219.328 3.221 10 0 BGAERO CC[C@@H]1CCC[C@]2(C1)[NH2+]CCc1ccoc12 ZINC000701334659 582916674 /nfs/dbraw/zinc/91/66/74/582916674.db2.gz JOTVSTAHCFZLGY-BXUZGUMPSA-N 1 0 219.328 3.221 10 0 BGAERO CC[C@H]1CCC[C@@]2(C1)[NH2+]CCc1ccoc12 ZINC000701334662 582916517 /nfs/dbraw/zinc/91/65/17/582916517.db2.gz JOTVSTAHCFZLGY-FZMZJTMJSA-N 1 0 219.328 3.221 10 0 BGAERO CC[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1ccoc12 ZINC000701334664 582915978 /nfs/dbraw/zinc/91/59/78/582915978.db2.gz JOTVSTAHCFZLGY-RISCZKNCSA-N 1 0 219.328 3.221 10 0 BGAERO CC[C@H]1CCC[C@]2(C1)[NH2+]CCc1ccoc12 ZINC000701334666 582916083 /nfs/dbraw/zinc/91/60/83/582916083.db2.gz JOTVSTAHCFZLGY-SMDDNHRTSA-N 1 0 219.328 3.221 10 0 BGAERO CC(C)C1([NH2+]CCOC2CCCCC2)CC1 ZINC000701379314 712021557 /nfs/dbraw/zinc/02/15/57/712021557.db2.gz BJAALSGFOQBHDM-UHFFFAOYSA-N 1 0 225.376 3.114 10 0 BGAERO c1cc2c(o1)[C@@H](C1CCCCCC1)[NH2+]CC2 ZINC000701401359 582916593 /nfs/dbraw/zinc/91/65/93/582916593.db2.gz ICNBGOVGFOSSEG-CYBMUJFWSA-N 1 0 219.328 3.437 10 0 BGAERO c1cc2c(o1)[C@H](C1CCCCCC1)[NH2+]CC2 ZINC000701401360 582916217 /nfs/dbraw/zinc/91/62/17/582916217.db2.gz ICNBGOVGFOSSEG-ZDUSSCGKSA-N 1 0 219.328 3.437 10 0 BGAERO CC(C)CC1([NH2+]C[C@](C)(O)c2ccccc2)CC1 ZINC000701428068 712022810 /nfs/dbraw/zinc/02/28/10/712022810.db2.gz MQFBNSJVAMKBRY-HNNXBMFYSA-N 1 0 247.382 3.062 10 0 BGAERO CC(C)CC1([NH2+]C[C@@](C)(O)c2ccccc2)CC1 ZINC000701428069 712022686 /nfs/dbraw/zinc/02/26/86/712022686.db2.gz MQFBNSJVAMKBRY-OAHLLOKOSA-N 1 0 247.382 3.062 10 0 BGAERO CC1(C)C[C@]1(C)[NH2+]CCc1ccccc1 ZINC000702027092 712036890 /nfs/dbraw/zinc/03/68/90/712036890.db2.gz BMZGMAJVKYGIFH-AWEZNQCLSA-N 1 0 203.329 3.007 10 0 BGAERO CC1(C)C[C@@]1(C)[NH2+]CCc1ccccc1 ZINC000702027093 712036698 /nfs/dbraw/zinc/03/66/98/712036698.db2.gz BMZGMAJVKYGIFH-CQSZACIVSA-N 1 0 203.329 3.007 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@H](C)C2(Cl)CC2)o1 ZINC000702309592 712043993 /nfs/dbraw/zinc/04/39/93/712043993.db2.gz AFLZFZTVKRLSPA-NXEZZACHSA-N 1 0 227.735 3.399 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@@H](C)C2(Cl)CC2)o1 ZINC000702309593 712044331 /nfs/dbraw/zinc/04/43/31/712044331.db2.gz AFLZFZTVKRLSPA-UWVGGRQHSA-N 1 0 227.735 3.399 10 0 BGAERO Cc1ccc([C@H](C)[NH2+][C@H](C)C2(Cl)CC2)o1 ZINC000702309594 712043745 /nfs/dbraw/zinc/04/37/45/712043745.db2.gz AFLZFZTVKRLSPA-VHSXEESVSA-N 1 0 227.735 3.399 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+][C@@H](C)C2(Cl)CC2)o1 ZINC000702309595 712043920 /nfs/dbraw/zinc/04/39/20/712043920.db2.gz AFLZFZTVKRLSPA-ZJUUUORDSA-N 1 0 227.735 3.399 10 0 BGAERO FC1(F)CCC[C@@H]([NH2+]CCc2ccccc2)C1 ZINC000702546657 712055148 /nfs/dbraw/zinc/05/51/48/712055148.db2.gz MHMDJVJADHFGCD-CYBMUJFWSA-N 1 0 239.309 3.397 10 0 BGAERO FC1(F)CCC[C@H]([NH2+]CCc2ccccc2)C1 ZINC000702546658 712055167 /nfs/dbraw/zinc/05/51/67/712055167.db2.gz MHMDJVJADHFGCD-ZDUSSCGKSA-N 1 0 239.309 3.397 10 0 BGAERO CC(C)CCC[C@H]1[NH2+]CCc2occc21 ZINC000703995364 633046651 /nfs/dbraw/zinc/04/66/51/633046651.db2.gz MOQKFZRZNHHTRY-GFCCVEGCSA-N 1 0 207.317 3.293 10 0 BGAERO CC(C)CCC[C@@H]1[NH2+]CCc2occc21 ZINC000703995366 633045728 /nfs/dbraw/zinc/04/57/28/633045728.db2.gz MOQKFZRZNHHTRY-LBPRGKRZSA-N 1 0 207.317 3.293 10 0 BGAERO CC(C)CCC[C@H]1[NH2+]CCc2ccoc21 ZINC000703996442 633046056 /nfs/dbraw/zinc/04/60/56/633046056.db2.gz UFOQHXCFKMVBHI-GFCCVEGCSA-N 1 0 207.317 3.293 10 0 BGAERO CC(C)CCC[C@@H]1[NH2+]CCc2ccoc21 ZINC000703996443 633046732 /nfs/dbraw/zinc/04/67/32/633046732.db2.gz UFOQHXCFKMVBHI-LBPRGKRZSA-N 1 0 207.317 3.293 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000704162940 582938607 /nfs/dbraw/zinc/93/86/07/582938607.db2.gz WZPXYJRLPDNWKW-BBGACYKPSA-N 1 0 233.380 3.371 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@H]2[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000704162943 582938371 /nfs/dbraw/zinc/93/83/71/582938371.db2.gz WZPXYJRLPDNWKW-ZHSDAYTOSA-N 1 0 233.380 3.371 10 0 BGAERO CCC[C@@H](C[NH2+]CCc1ccccc1)OCC ZINC000705334706 712129316 /nfs/dbraw/zinc/12/93/16/712129316.db2.gz ZXIQVWBXWXVUAE-HNNXBMFYSA-N 1 0 235.371 3.024 10 0 BGAERO CCC[C@H](C[NH2+]CCc1ccccc1)OCC ZINC000705334707 712129086 /nfs/dbraw/zinc/12/90/86/712129086.db2.gz ZXIQVWBXWXVUAE-OAHLLOKOSA-N 1 0 235.371 3.024 10 0 BGAERO c1ccc(CC[NH2+]C[C@@H]2CCCC23CC3)cc1 ZINC000706231442 712143196 /nfs/dbraw/zinc/14/31/96/712143196.db2.gz CPCGSJOEUYGLPS-HNNXBMFYSA-N 1 0 229.367 3.399 10 0 BGAERO c1ccc(CC[NH2+]C[C@H]2CCCC23CC3)cc1 ZINC000706231445 712143207 /nfs/dbraw/zinc/14/32/07/712143207.db2.gz CPCGSJOEUYGLPS-OAHLLOKOSA-N 1 0 229.367 3.399 10 0 BGAERO Cc1cc(-c2ccc3c(c2)CC[C@@H]3[NH3+])co1 ZINC000706284774 712144159 /nfs/dbraw/zinc/14/41/59/712144159.db2.gz LAFKEGLMGSRXJE-AWEZNQCLSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1cc(-c2ccc3c(c2)CC[C@H]3[NH3+])co1 ZINC000706284777 712143701 /nfs/dbraw/zinc/14/37/01/712143701.db2.gz LAFKEGLMGSRXJE-CQSZACIVSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1cc(-c2cccc3c2CC[C@@H]3[NH3+])co1 ZINC000706301387 712144570 /nfs/dbraw/zinc/14/45/70/712144570.db2.gz MRHIFRYWWCQVTE-AWEZNQCLSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1cc(-c2cccc3c2CC[C@H]3[NH3+])co1 ZINC000706301390 712144470 /nfs/dbraw/zinc/14/44/70/712144470.db2.gz MRHIFRYWWCQVTE-CQSZACIVSA-N 1 0 213.280 3.201 10 0 BGAERO Cc1cc(-c2ccc(C[C@H](C)[NH3+])cc2)co1 ZINC000706302031 712144481 /nfs/dbraw/zinc/14/44/81/712144481.db2.gz RZNQAJKMSZOZRI-JTQLQIEISA-N 1 0 215.296 3.145 10 0 BGAERO Cc1cc(-c2ccc(C[C@@H](C)[NH3+])cc2)co1 ZINC000706302033 712144636 /nfs/dbraw/zinc/14/46/36/712144636.db2.gz RZNQAJKMSZOZRI-SNVBAGLBSA-N 1 0 215.296 3.145 10 0 BGAERO CSC1CC([NH2+][C@@H](C)c2cccs2)C1 ZINC000706742785 712153041 /nfs/dbraw/zinc/15/30/41/712153041.db2.gz BRVGISNAWLCFGC-IDKOKCKLSA-N 1 0 227.398 3.293 10 0 BGAERO CSC1CC([NH2+][C@H](C)c2cccs2)C1 ZINC000706762545 712154876 /nfs/dbraw/zinc/15/48/76/712154876.db2.gz BRVGISNAWLCFGC-XNWIYYODSA-N 1 0 227.398 3.293 10 0 BGAERO CSC1CC([NH2+][C@H](C)c2ccc(C)o2)C1 ZINC000706836285 712156568 /nfs/dbraw/zinc/15/65/68/712156568.db2.gz UPTYADHBYHPAAE-KPPDAEKUSA-N 1 0 225.357 3.133 10 0 BGAERO CSC1CC([NH2+][C@@H](C)c2ccc(C)o2)C1 ZINC000706836286 712156526 /nfs/dbraw/zinc/15/65/26/712156526.db2.gz UPTYADHBYHPAAE-WHXUTIOJSA-N 1 0 225.357 3.133 10 0 BGAERO CSC1CC([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC000706864662 712157352 /nfs/dbraw/zinc/15/73/52/712157352.db2.gz FPXTVXJAMSUBSB-UHEGKEBESA-N 1 0 239.359 3.370 10 0 BGAERO CSC1CC([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC000706875629 712157641 /nfs/dbraw/zinc/15/76/41/712157641.db2.gz FPXTVXJAMSUBSB-ALXWSUNGSA-N 1 0 239.359 3.370 10 0 BGAERO CSC1CC([NH2+][C@H]2CCc3ccccc32)C1 ZINC000706879219 712157615 /nfs/dbraw/zinc/15/76/15/712157615.db2.gz WNMORBWLYIXYMH-YIZWMMSDSA-N 1 0 233.380 3.158 10 0 BGAERO CSC1CC([NH2+]Cc2csc(C)c2)C1 ZINC000706927161 711930062 /nfs/dbraw/zinc/93/00/62/711930062.db2.gz IIEVYUJPJSYHIY-UHFFFAOYSA-N 1 0 227.398 3.040 10 0 BGAERO CC[C@@H]([NH2+]C1CC(SC)C1)C1CCC1 ZINC000706931961 712161468 /nfs/dbraw/zinc/16/14/68/712161468.db2.gz VWNXTDDDEZUABP-HTAVTVPLSA-N 1 0 213.390 3.049 10 0 BGAERO CC[C@H]([NH2+]C1CC(SC)C1)C1CCC1 ZINC000706931963 712161381 /nfs/dbraw/zinc/16/13/81/712161381.db2.gz VWNXTDDDEZUABP-MCIGGMRASA-N 1 0 213.390 3.049 10 0 BGAERO CSC1CC([NH2+]Cc2ccsc2Cl)C1 ZINC000706960631 712160073 /nfs/dbraw/zinc/16/00/73/712160073.db2.gz UEQIFGRJBAEDDV-UHFFFAOYSA-N 1 0 247.816 3.385 10 0 BGAERO CCC[C@@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000707361463 712169187 /nfs/dbraw/zinc/16/91/87/712169187.db2.gz FGOHYNAVDZONQV-BXKDBHETSA-N 1 0 224.735 3.013 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000707361466 712169449 /nfs/dbraw/zinc/16/94/49/712169449.db2.gz FGOHYNAVDZONQV-CABZTGNLSA-N 1 0 224.735 3.013 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000707361470 712169182 /nfs/dbraw/zinc/16/91/82/712169182.db2.gz FGOHYNAVDZONQV-JOYOIKCWSA-N 1 0 224.735 3.013 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]Cc1ccc(Cl)cn1 ZINC000707361473 712169143 /nfs/dbraw/zinc/16/91/43/712169143.db2.gz FGOHYNAVDZONQV-SKDRFNHKSA-N 1 0 224.735 3.013 10 0 BGAERO [NH3+][C@@H]1CCc2cc(-c3cnc(C4CC4)o3)ccc21 ZINC000707544254 712171460 /nfs/dbraw/zinc/17/14/60/712171460.db2.gz FMAQDCGTLHEHDV-CYBMUJFWSA-N 1 0 240.306 3.165 10 0 BGAERO [NH3+][C@H]1CCc2cc(-c3cnc(C4CC4)o3)ccc21 ZINC000707544257 712171524 /nfs/dbraw/zinc/17/15/24/712171524.db2.gz FMAQDCGTLHEHDV-ZDUSSCGKSA-N 1 0 240.306 3.165 10 0 BGAERO COCc1cc(-c2ccc3c(c2)C[NH2+]C3)cs1 ZINC000708048255 712175982 /nfs/dbraw/zinc/17/59/82/712175982.db2.gz UJUVPVWQEYXNSV-UHFFFAOYSA-N 1 0 245.347 3.165 10 0 BGAERO CSC1CC([NH2+]CCC(C)(C)SC)C1 ZINC000708256512 712184520 /nfs/dbraw/zinc/18/45/20/712184520.db2.gz GYROVMAWEQXBEA-UHFFFAOYSA-N 1 0 233.446 3.002 10 0 BGAERO CSC1CC([NH2+][C@@H]2CCCC23CCC3)C1 ZINC000708258977 712184913 /nfs/dbraw/zinc/18/49/13/712184913.db2.gz VACOQPCKCOTLNK-HTAVTVPLSA-N 1 0 225.401 3.193 10 0 BGAERO CSC1CC([NH2+][C@H]2CCCC23CCC3)C1 ZINC000708258979 712184571 /nfs/dbraw/zinc/18/45/71/712184571.db2.gz VACOQPCKCOTLNK-MCIGGMRASA-N 1 0 225.401 3.193 10 0 BGAERO CSC1CC([NH2+]Cc2sccc2Cl)C1 ZINC000708268408 712184701 /nfs/dbraw/zinc/18/47/01/712184701.db2.gz AUIFFYMLTOCFRX-UHFFFAOYSA-N 1 0 247.816 3.385 10 0 BGAERO CSC1CC([NH2+]Cc2ccc3cc[nH]c3c2)C1 ZINC000708284746 712185534 /nfs/dbraw/zinc/18/55/34/712185534.db2.gz XPMYEMBJFCKTIG-UHFFFAOYSA-N 1 0 246.379 3.152 10 0 BGAERO CSC1CC([NH2+]Cc2ccc3[nH]ccc3c2)C1 ZINC000708285242 712185748 /nfs/dbraw/zinc/18/57/48/712185748.db2.gz ZRRQAMCKGZLVKC-UHFFFAOYSA-N 1 0 246.379 3.152 10 0 BGAERO CSC1CC([NH2+]Cc2cc(Cl)cs2)C1 ZINC000708320251 712186699 /nfs/dbraw/zinc/18/66/99/712186699.db2.gz KSAABNKYXKCHRG-UHFFFAOYSA-N 1 0 247.816 3.385 10 0 BGAERO CSC1CC([NH2+]Cc2ccsc2C)C1 ZINC000708322071 712186435 /nfs/dbraw/zinc/18/64/35/712186435.db2.gz XQRNGCMITYSDEC-UHFFFAOYSA-N 1 0 227.398 3.040 10 0 BGAERO COCC1CC([NH2+][C@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000708805843 712199654 /nfs/dbraw/zinc/19/96/54/712199654.db2.gz BBZUGSFFQXDQCO-ABXWRUBCSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2C[C@H](C)CC(C)(C)C2)C1 ZINC000708805844 712199651 /nfs/dbraw/zinc/19/96/51/712199651.db2.gz BBZUGSFFQXDQCO-GFJIZPEISA-N 1 0 239.403 3.216 10 0 BGAERO CC(C)(O)C[NH+]1CCC(C2CCCCC2)CC1 ZINC000708858688 712200973 /nfs/dbraw/zinc/20/09/73/712200973.db2.gz PGBYRLRFMLLJMG-UHFFFAOYSA-N 1 0 239.403 3.050 10 0 BGAERO C[C@]1(Cc2ccsc2)[NH2+]CCc2sccc21 ZINC000709187434 582993285 /nfs/dbraw/zinc/99/32/85/582993285.db2.gz UARJOIOZWCOWGH-CYBMUJFWSA-N 1 0 249.404 3.413 10 0 BGAERO C[C@@]1(Cc2ccsc2)[NH2+]CCc2sccc21 ZINC000709187442 582992866 /nfs/dbraw/zinc/99/28/66/582992866.db2.gz UARJOIOZWCOWGH-ZDUSSCGKSA-N 1 0 249.404 3.413 10 0 BGAERO CC(C)C1([NH2+]C[C@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709712367 712216208 /nfs/dbraw/zinc/21/62/08/712216208.db2.gz BESGYVIVBPYAON-GFCCVEGCSA-N 1 0 239.403 3.358 10 0 BGAERO CC(C)C1([NH2+]C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000709712371 712216226 /nfs/dbraw/zinc/21/62/26/712216226.db2.gz BESGYVIVBPYAON-LBPRGKRZSA-N 1 0 239.403 3.358 10 0 BGAERO C[C@@H]1CC[C@]2(CS1)[NH2+]CCc1sccc12 ZINC000709735568 538954198 /nfs/dbraw/zinc/95/41/98/538954198.db2.gz IACHRJYCRZIBIO-BXKDBHETSA-N 1 0 239.409 3.005 10 0 BGAERO C[C@H]1CC[C@@]2(CS1)[NH2+]CCc1sccc12 ZINC000709735954 538953915 /nfs/dbraw/zinc/95/39/15/538953915.db2.gz IACHRJYCRZIBIO-CABZTGNLSA-N 1 0 239.409 3.005 10 0 BGAERO C[C@H]1CC[C@]2(CS1)[NH2+]CCc1sccc12 ZINC000709735955 538954025 /nfs/dbraw/zinc/95/40/25/538954025.db2.gz IACHRJYCRZIBIO-JOYOIKCWSA-N 1 0 239.409 3.005 10 0 BGAERO C[C@@H]1CC[C@@]2(CS1)[NH2+]CCc1sccc12 ZINC000709735956 539027531 /nfs/dbraw/zinc/02/75/31/539027531.db2.gz IACHRJYCRZIBIO-SKDRFNHKSA-N 1 0 239.409 3.005 10 0 BGAERO CC1CCC(C[NH2+]CCc2ccns2)CC1 ZINC000709811741 712228137 /nfs/dbraw/zinc/22/81/37/712228137.db2.gz DCNUNBULCFZDJM-UHFFFAOYSA-N 1 0 238.400 3.102 10 0 BGAERO CC(C)C(C(C)C)[C@H]1[NH2+]CCc2occc21 ZINC000709943423 539027753 /nfs/dbraw/zinc/02/77/53/539027753.db2.gz LQPFFWRWSYSWAB-AWEZNQCLSA-N 1 0 221.344 3.395 10 0 BGAERO CC(C)C(C(C)C)[C@@H]1[NH2+]CCc2occc21 ZINC000709943424 539027823 /nfs/dbraw/zinc/02/78/23/539027823.db2.gz LQPFFWRWSYSWAB-CQSZACIVSA-N 1 0 221.344 3.395 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@H](C)c1cn(C)cn1 ZINC000709974958 712235919 /nfs/dbraw/zinc/23/59/19/712235919.db2.gz DTCSLKAAJOEIGT-QWHCGFSZSA-N 1 0 243.354 3.140 10 0 BGAERO Cc1ccccc1[C@H](C)[NH2+][C@@H](C)c1cn(C)cn1 ZINC000709974959 712236054 /nfs/dbraw/zinc/23/60/54/712236054.db2.gz DTCSLKAAJOEIGT-STQMWFEESA-N 1 0 243.354 3.140 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+][C@H](C)c2cn(C)cn2)c1 ZINC000709977404 712236653 /nfs/dbraw/zinc/23/66/53/712236653.db2.gz SITHHVZBBKLLML-CHWSQXEVSA-N 1 0 243.354 3.140 10 0 BGAERO Cc1cccc([C@@H](C)[NH2+][C@@H](C)c2cn(C)cn2)c1 ZINC000709977406 712236757 /nfs/dbraw/zinc/23/67/57/712236757.db2.gz SITHHVZBBKLLML-OLZOCXBDSA-N 1 0 243.354 3.140 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@H](C)c2cn(C)cn2)c1 ZINC000709977407 712236525 /nfs/dbraw/zinc/23/65/25/712236525.db2.gz SITHHVZBBKLLML-QWHCGFSZSA-N 1 0 243.354 3.140 10 0 BGAERO Cc1cccc([C@H](C)[NH2+][C@@H](C)c2cn(C)cn2)c1 ZINC000709977409 712236581 /nfs/dbraw/zinc/23/65/81/712236581.db2.gz SITHHVZBBKLLML-STQMWFEESA-N 1 0 243.354 3.140 10 0 BGAERO c1cc2c(o1)CC[NH2+][C@@H]2CC1CCCC1 ZINC000709988185 539027934 /nfs/dbraw/zinc/02/79/34/539027934.db2.gz CSSWBFWXIMVHQC-GFCCVEGCSA-N 1 0 205.301 3.047 10 0 BGAERO c1cc2c(o1)CC[NH2+][C@H]2CC1CCCC1 ZINC000709988188 539027877 /nfs/dbraw/zinc/02/78/77/539027877.db2.gz CSSWBFWXIMVHQC-LBPRGKRZSA-N 1 0 205.301 3.047 10 0 BGAERO C[C@@H]1CC[C@]2([NH2+]CCc3occc32)[C@H](C)C1 ZINC000709988749 539027967 /nfs/dbraw/zinc/02/79/67/539027967.db2.gz HJPNCNXADMGEKJ-GYSYKLTISA-N 1 0 219.328 3.077 10 0 BGAERO C[C@@H]1CC[C@@]2([NH2+]CCc3occc32)[C@H](C)C1 ZINC000709988754 539027756 /nfs/dbraw/zinc/02/77/56/539027756.db2.gz HJPNCNXADMGEKJ-JTNHKYCSSA-N 1 0 219.328 3.077 10 0 BGAERO C[C@@H]1CC[C@]2([NH2+]CCc3occc32)[C@@H](C)C1 ZINC000709988757 539027733 /nfs/dbraw/zinc/02/77/33/539027733.db2.gz HJPNCNXADMGEKJ-SUNKGSAMSA-N 1 0 219.328 3.077 10 0 BGAERO C[C@@H]1CC[C@@]2([NH2+]CCc3occc32)[C@@H](C)C1 ZINC000709988761 539027853 /nfs/dbraw/zinc/02/78/53/539027853.db2.gz HJPNCNXADMGEKJ-UHIISALHSA-N 1 0 219.328 3.077 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]CCc1occc12 ZINC000709991369 539027849 /nfs/dbraw/zinc/02/78/49/539027849.db2.gz WHLGOMLRRRYQHA-UHFFFAOYSA-N 1 0 219.328 3.221 10 0 BGAERO CCC1CCC([NH2+][C@@H](C)c2cn(C)cn2)CC1 ZINC000710029816 712241942 /nfs/dbraw/zinc/24/19/42/712241942.db2.gz XFEBNVMPNFXBFU-HIFPTAJRSA-N 1 0 235.375 3.040 10 0 BGAERO CCC1CCC([NH2+][C@H](C)c2cn(C)cn2)CC1 ZINC000710029820 712241991 /nfs/dbraw/zinc/24/19/91/712241991.db2.gz XFEBNVMPNFXBFU-PNESKVBLSA-N 1 0 235.375 3.040 10 0 BGAERO c1ccc(CC[NH2+]C[C@]23C[C@H]2CCC3)cc1 ZINC000710593720 712263853 /nfs/dbraw/zinc/26/38/53/712263853.db2.gz PWWSCLDOBYEENB-CABCVRRESA-N 1 0 215.340 3.009 10 0 BGAERO c1cc2c(s1)[C@]1(C[C@@H]3CC[C@@H](C3)C1)[NH2+]CC2 ZINC000711008742 539028044 /nfs/dbraw/zinc/02/80/44/539028044.db2.gz MBZAALWFVNJMIF-GNXNZQSNSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@@]1(C[C@@H]3CC[C@@H](C3)C1)[NH2+]CC2 ZINC000711008744 539028034 /nfs/dbraw/zinc/02/80/34/539028034.db2.gz MBZAALWFVNJMIF-YABSGUDNSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21C[C@@H]2CC[C@@H](C2)C1 ZINC000711043137 539028356 /nfs/dbraw/zinc/02/83/56/539028356.db2.gz LJPBALVVJNUXSP-GNXNZQSNSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@]21C[C@@H]2CC[C@@H](C2)C1 ZINC000711043139 539028360 /nfs/dbraw/zinc/02/83/60/539028360.db2.gz LJPBALVVJNUXSP-YABSGUDNSA-N 1 0 233.380 3.299 10 0 BGAERO CCC[C@H]1C[C@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000711196423 712288874 /nfs/dbraw/zinc/28/88/74/712288874.db2.gz HLCWWPGDAZTQLG-GXSJLCMTSA-N 1 0 217.303 3.343 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000711196430 712288697 /nfs/dbraw/zinc/28/86/97/712288697.db2.gz HLCWWPGDAZTQLG-KOLCDFICSA-N 1 0 217.303 3.343 10 0 BGAERO CCC[C@H]1C[C@@H]1[NH2+]C1CCC(F)(F)CC1 ZINC000711196436 712288836 /nfs/dbraw/zinc/28/88/36/712288836.db2.gz HLCWWPGDAZTQLG-ONGXEEELSA-N 1 0 217.303 3.343 10 0 BGAERO C[C@H]([NH2+]CCOC1CC1)c1cccc(Cl)c1 ZINC000711670942 712316092 /nfs/dbraw/zinc/31/60/92/712316092.db2.gz NXRXNLWDDFKKGL-JTQLQIEISA-N 1 0 239.746 3.170 10 0 BGAERO C[C@@H]([NH2+]CCOC1CC1)c1cccc(Cl)c1 ZINC000711670943 712315905 /nfs/dbraw/zinc/31/59/05/712315905.db2.gz NXRXNLWDDFKKGL-SNVBAGLBSA-N 1 0 239.746 3.170 10 0 BGAERO C[C@@H]([NH2+]CCOC1CC1)c1ccccc1Cl ZINC000711673367 712315911 /nfs/dbraw/zinc/31/59/11/712315911.db2.gz YEDUXNVCAZYJOK-SNVBAGLBSA-N 1 0 239.746 3.170 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@@H]2C=CCC2)c1C ZINC000711688066 712317408 /nfs/dbraw/zinc/31/74/08/712317408.db2.gz VPGSJACBXBUNOO-BXUZGUMPSA-N 1 0 247.386 3.137 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@H]2C=CCC2)c1C ZINC000711688068 712317542 /nfs/dbraw/zinc/31/75/42/712317542.db2.gz VPGSJACBXBUNOO-FZMZJTMJSA-N 1 0 247.386 3.137 10 0 BGAERO CCn1nc(C)c([C@@H](C)[NH2+]C[C@H]2C=CCC2)c1C ZINC000711688070 712317580 /nfs/dbraw/zinc/31/75/80/712317580.db2.gz VPGSJACBXBUNOO-RISCZKNCSA-N 1 0 247.386 3.137 10 0 BGAERO CCn1nc(C)c([C@H](C)[NH2+]C[C@@H]2C=CCC2)c1C ZINC000711688071 712317093 /nfs/dbraw/zinc/31/70/93/712317093.db2.gz VPGSJACBXBUNOO-SMDDNHRTSA-N 1 0 247.386 3.137 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]CCOC2CC2)cc1 ZINC000711692025 712317768 /nfs/dbraw/zinc/31/77/68/712317768.db2.gz VSVQHYCBEJPULW-GFCCVEGCSA-N 1 0 233.355 3.079 10 0 BGAERO CCC1CCC([NH2+]Cc2nccn2C2CC2)CC1 ZINC000711740113 712321378 /nfs/dbraw/zinc/32/13/78/712321378.db2.gz TUXBICFJBLCTQR-UHFFFAOYSA-N 1 0 247.386 3.276 10 0 BGAERO C[C@@H]([NH2+]CCOC1CC1)c1ccc(Cl)s1 ZINC000711764284 712327249 /nfs/dbraw/zinc/32/72/49/712327249.db2.gz BJADCLGFELMZIY-MRVPVSSYSA-N 1 0 245.775 3.231 10 0 BGAERO C[C@H]([NH2+]CCOC1CC1)c1ccc(Cl)s1 ZINC000711764285 712327423 /nfs/dbraw/zinc/32/74/23/712327423.db2.gz BJADCLGFELMZIY-QMMMGPOBSA-N 1 0 245.775 3.231 10 0 BGAERO CCCC1CCC2(CC1)C(=O)CC[N@H+]2CCC ZINC000711950270 537830447 /nfs/dbraw/zinc/83/04/47/537830447.db2.gz IWWXRRLUXRTNME-UHFFFAOYSA-N 1 0 237.387 3.400 10 0 BGAERO CCN1CCC(=O)C12CCC(C(C)(C)C)CC2 ZINC000711993841 537784422 /nfs/dbraw/zinc/78/44/22/537784422.db2.gz KUKKIZAUFICNQA-UHFFFAOYSA-N 1 0 237.387 3.256 10 0 BGAERO CC(C)C1CCC2(CC1)C(=O)CCN2C(C)C ZINC000712034115 537784875 /nfs/dbraw/zinc/78/48/75/537784875.db2.gz PFCZWUODESYWKO-UHFFFAOYSA-N 1 0 237.387 3.255 10 0 BGAERO CC(C)[N@@H+]1CCC(=O)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712043885 537784608 /nfs/dbraw/zinc/78/46/08/537784608.db2.gz CYZWNXCIKTZVEB-DOMZBBRYSA-N 1 0 237.387 3.255 10 0 BGAERO CC(C)[N@@H+]1CCC(=O)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712043887 537783779 /nfs/dbraw/zinc/78/37/79/537783779.db2.gz CYZWNXCIKTZVEB-IUODEOHRSA-N 1 0 237.387 3.255 10 0 BGAERO CC(C)[N@@H+]1CCC(=O)[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000712043889 537784129 /nfs/dbraw/zinc/78/41/29/537784129.db2.gz CYZWNXCIKTZVEB-SWLSCSKDSA-N 1 0 237.387 3.255 10 0 BGAERO CC(C)[N@@H+]1CCC(=O)[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000712043891 537785088 /nfs/dbraw/zinc/78/50/88/537785088.db2.gz CYZWNXCIKTZVEB-WFASDCNBSA-N 1 0 237.387 3.255 10 0 BGAERO CCC[N@@H+]1CCC(=O)[C@@]12C[C@H](C)CC(C)(C)C2 ZINC000712067269 537784460 /nfs/dbraw/zinc/78/44/60/537784460.db2.gz IPYMLOWJJULABP-DOMZBBRYSA-N 1 0 237.387 3.256 10 0 BGAERO CCC[N@@H+]1CCC(=O)[C@]12C[C@H](C)CC(C)(C)C2 ZINC000712067270 537784380 /nfs/dbraw/zinc/78/43/80/537784380.db2.gz IPYMLOWJJULABP-IUODEOHRSA-N 1 0 237.387 3.256 10 0 BGAERO CCC[N@@H+]1CCC(=O)[C@]12C[C@@H](C)CC(C)(C)C2 ZINC000712067272 537784477 /nfs/dbraw/zinc/78/44/77/537784477.db2.gz IPYMLOWJJULABP-SWLSCSKDSA-N 1 0 237.387 3.256 10 0 BGAERO CCC[N@@H+]1CCC(=O)[C@@]12C[C@@H](C)CC(C)(C)C2 ZINC000712067274 537783863 /nfs/dbraw/zinc/78/38/63/537783863.db2.gz IPYMLOWJJULABP-WFASDCNBSA-N 1 0 237.387 3.256 10 0 BGAERO CC[N@@H+]1CCC(=O)C12CC(C)(C)CC(C)(C)C2 ZINC000712104325 537783664 /nfs/dbraw/zinc/78/36/64/537783664.db2.gz AXNZXXFOHGASIF-UHFFFAOYSA-N 1 0 237.387 3.256 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21C[C@@H]2CCCC[C@@H]21 ZINC000712467357 537786470 /nfs/dbraw/zinc/78/64/70/537786470.db2.gz LYTQTXDMANTQFD-COPLHBTASA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21C[C@H]2CCCC[C@H]21 ZINC000712467360 537786768 /nfs/dbraw/zinc/78/67/68/537786768.db2.gz LYTQTXDMANTQFD-JTNHKYCSSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21C[C@@H]2CCCC[C@H]21 ZINC000712467361 537786858 /nfs/dbraw/zinc/78/68/58/537786858.db2.gz LYTQTXDMANTQFD-MISXGVKJSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@]21C[C@@H]2CCCC[C@@H]21 ZINC000712467363 537788001 /nfs/dbraw/zinc/78/80/01/537788001.db2.gz LYTQTXDMANTQFD-MJVIPROJSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21C[C@H]2CCCC[C@@H]21 ZINC000712467366 537787743 /nfs/dbraw/zinc/78/77/43/537787743.db2.gz LYTQTXDMANTQFD-UHIISALHSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@]1(C[C@H]3CCCC[C@@H]31)[NH2+]CC2 ZINC000712471522 537786585 /nfs/dbraw/zinc/78/65/85/537786585.db2.gz XIIQXRDFNREYTF-MBNYWOFBSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@@]1(C[C@@H]3CCCC[C@@H]31)[NH2+]CC2 ZINC000712471526 537787460 /nfs/dbraw/zinc/78/74/60/537787460.db2.gz XIIQXRDFNREYTF-OBJOEFQTSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@]1(C[C@@H]3CCCC[C@H]31)[NH2+]CC2 ZINC000712471531 537787722 /nfs/dbraw/zinc/78/77/22/537787722.db2.gz XIIQXRDFNREYTF-OUCADQQQSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@]1(C[C@@H]3CCCC[C@@H]31)[NH2+]CC2 ZINC000712471535 537787895 /nfs/dbraw/zinc/78/78/95/537787895.db2.gz XIIQXRDFNREYTF-SGMGOOAPSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@]1(C[C@H]3CCCC[C@H]31)[NH2+]CC2 ZINC000712471539 537787008 /nfs/dbraw/zinc/78/70/08/537787008.db2.gz XIIQXRDFNREYTF-YRGRVCCFSA-N 1 0 233.380 3.299 10 0 BGAERO C[C@]1(Cc2cccs2)[NH2+]CCc2ccsc21 ZINC000712501017 537786922 /nfs/dbraw/zinc/78/69/22/537786922.db2.gz AZKWAMPDJFWSKQ-CYBMUJFWSA-N 1 0 249.404 3.413 10 0 BGAERO C[C@@]1(Cc2cccs2)[NH2+]CCc2ccsc21 ZINC000712501019 537787346 /nfs/dbraw/zinc/78/73/46/537787346.db2.gz AZKWAMPDJFWSKQ-ZDUSSCGKSA-N 1 0 249.404 3.413 10 0 BGAERO C[C@]1(Cc2ccsc2)[NH2+]CCc2ccsc21 ZINC000712501182 537787712 /nfs/dbraw/zinc/78/77/12/537787712.db2.gz UHWRREIUPFCSPR-CYBMUJFWSA-N 1 0 249.404 3.413 10 0 BGAERO C[C@@]1(Cc2ccsc2)[NH2+]CCc2ccsc21 ZINC000712501185 537788262 /nfs/dbraw/zinc/78/82/62/537788262.db2.gz UHWRREIUPFCSPR-ZDUSSCGKSA-N 1 0 249.404 3.413 10 0 BGAERO C[C@]1(C2CCCC2)[NH2+]CCc2ccsc21 ZINC000712501284 537787323 /nfs/dbraw/zinc/78/73/23/537787323.db2.gz YVRROGXXSPUCMV-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO C[C@@]1(C2CCCC2)[NH2+]CCc2ccsc21 ZINC000712501285 537788197 /nfs/dbraw/zinc/78/81/97/537788197.db2.gz YVRROGXXSPUCMV-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO CCC1([C@@H]2[NH2+]CCc3ccsc32)CC1 ZINC000712513927 538954936 /nfs/dbraw/zinc/95/49/36/538954936.db2.gz ACMXIFZVWJFFLT-LLVKDONJSA-N 1 0 207.342 3.125 10 0 BGAERO CCC1([C@H]2[NH2+]CCc3ccsc32)CC1 ZINC000712513929 538954763 /nfs/dbraw/zinc/95/47/63/538954763.db2.gz ACMXIFZVWJFFLT-NSHDSACASA-N 1 0 207.342 3.125 10 0 BGAERO CC(C)C1([C@@H]2[NH2+]CCc3ccsc32)CC1 ZINC000712516011 537789518 /nfs/dbraw/zinc/78/95/18/537789518.db2.gz PYPKYNAGFLFJNV-GFCCVEGCSA-N 1 0 221.369 3.371 10 0 BGAERO CC(C)C1([C@H]2[NH2+]CCc3ccsc32)CC1 ZINC000712516014 537789965 /nfs/dbraw/zinc/78/99/65/537789965.db2.gz PYPKYNAGFLFJNV-LBPRGKRZSA-N 1 0 221.369 3.371 10 0 BGAERO CC1([C@@H]2[NH2+]CCc3ccsc32)CCC1 ZINC000712516528 537789109 /nfs/dbraw/zinc/78/91/09/537789109.db2.gz WIXRBFHUPVGUNF-LLVKDONJSA-N 1 0 207.342 3.125 10 0 BGAERO CC1([C@H]2[NH2+]CCc3ccsc32)CCC1 ZINC000712516530 537789639 /nfs/dbraw/zinc/78/96/39/537789639.db2.gz WIXRBFHUPVGUNF-NSHDSACASA-N 1 0 207.342 3.125 10 0 BGAERO CC(C)(C)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712521522 537789993 /nfs/dbraw/zinc/78/99/93/537789993.db2.gz ATBRCWBMSMHPQO-JTQLQIEISA-N 1 0 209.358 3.371 10 0 BGAERO CC(C)(C)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712521526 537790718 /nfs/dbraw/zinc/79/07/18/537790718.db2.gz ATBRCWBMSMHPQO-SNVBAGLBSA-N 1 0 209.358 3.371 10 0 BGAERO c1cc2c(s1)[C@H]([C@@H]1CC[C@@H]3C[C@@H]3C1)[NH2+]CC2 ZINC000712521820 537790261 /nfs/dbraw/zinc/79/02/61/537790261.db2.gz FIWANELCDLABAK-LPWJVIDDSA-N 1 0 233.380 3.371 10 0 BGAERO c1cc2c(s1)[C@H]([C@@H]1CC[C@H]3C[C@H]3C1)[NH2+]CC2 ZINC000712521827 537789631 /nfs/dbraw/zinc/78/96/31/537789631.db2.gz FIWANELCDLABAK-RNJOBUHISA-N 1 0 233.380 3.371 10 0 BGAERO CC[C@H]1CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712522339 537789234 /nfs/dbraw/zinc/78/92/34/537789234.db2.gz IRTYVUQSRADCIY-GWCFXTLKSA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@H]1CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712522345 537791000 /nfs/dbraw/zinc/79/10/00/537791000.db2.gz IRTYVUQSRADCIY-GXFFZTMASA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@@H]1CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712522350 537790406 /nfs/dbraw/zinc/79/04/06/537790406.db2.gz IRTYVUQSRADCIY-MFKMUULPSA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@@H]1CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712522358 537790608 /nfs/dbraw/zinc/79/06/08/537790608.db2.gz IRTYVUQSRADCIY-ZWNOBZJWSA-N 1 0 221.369 3.299 10 0 BGAERO c1cc2c(s1)[C@]1(CCCSCC1)[NH2+]CC2 ZINC000712524308 537790911 /nfs/dbraw/zinc/79/09/11/537790911.db2.gz YBGUMECJRYGHDG-GFCCVEGCSA-N 1 0 239.409 3.006 10 0 BGAERO c1cc2c(s1)[C@@]1(CCCSCC1)[NH2+]CC2 ZINC000712524309 537788680 /nfs/dbraw/zinc/78/86/80/537788680.db2.gz YBGUMECJRYGHDG-LBPRGKRZSA-N 1 0 239.409 3.006 10 0 BGAERO CC(C)[C@]1(C2CC2)[NH2+]CCc2ccsc21 ZINC000712526139 537789556 /nfs/dbraw/zinc/78/95/56/537789556.db2.gz BWSHTGHXDOANLR-CYBMUJFWSA-N 1 0 221.369 3.155 10 0 BGAERO CC(C)[C@@]1(C2CC2)[NH2+]CCc2ccsc21 ZINC000712526142 537790443 /nfs/dbraw/zinc/79/04/43/537790443.db2.gz BWSHTGHXDOANLR-ZDUSSCGKSA-N 1 0 221.369 3.155 10 0 BGAERO c1cc2c(s1)[C@@](C1CC1)(C1CCC1)[NH2+]CC2 ZINC000712526304 537789015 /nfs/dbraw/zinc/78/90/15/537789015.db2.gz OWYXZEQCUGTODT-AWEZNQCLSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@](C1CC1)(C1CCC1)[NH2+]CC2 ZINC000712526305 537789124 /nfs/dbraw/zinc/78/91/24/537789124.db2.gz OWYXZEQCUGTODT-CQSZACIVSA-N 1 0 233.380 3.299 10 0 BGAERO CCC[C@@]1(CC)[NH2+]CCc2ccsc21 ZINC000712526326 537789722 /nfs/dbraw/zinc/78/97/22/537789722.db2.gz RGVNICDZQKWZDB-GFCCVEGCSA-N 1 0 209.358 3.299 10 0 BGAERO CCC[C@]1(CC)[NH2+]CCc2ccsc21 ZINC000712526327 537789594 /nfs/dbraw/zinc/78/95/94/537789594.db2.gz RGVNICDZQKWZDB-LBPRGKRZSA-N 1 0 209.358 3.299 10 0 BGAERO Cc1sccc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712543049 537793204 /nfs/dbraw/zinc/79/32/04/537793204.db2.gz VSWQKAHIJPNROT-LLVKDONJSA-N 1 0 235.377 3.353 10 0 BGAERO Cc1sccc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712543050 537791442 /nfs/dbraw/zinc/79/14/42/537791442.db2.gz VSWQKAHIJPNROT-NSHDSACASA-N 1 0 235.377 3.353 10 0 BGAERO Cc1cc([C@H]2[NH2+]CCc3ccsc32)cs1 ZINC000712543085 537793591 /nfs/dbraw/zinc/79/35/91/537793591.db2.gz XBLQCUXIGKNHNJ-LLVKDONJSA-N 1 0 235.377 3.353 10 0 BGAERO Cc1cc([C@@H]2[NH2+]CCc3ccsc32)cs1 ZINC000712543088 537791482 /nfs/dbraw/zinc/79/14/82/537791482.db2.gz XBLQCUXIGKNHNJ-NSHDSACASA-N 1 0 235.377 3.353 10 0 BGAERO CC[C@]1(C2CCC2)[NH2+]CCc2ccsc21 ZINC000712545291 537793658 /nfs/dbraw/zinc/79/36/58/537793658.db2.gz LUUDNTHYTYJENL-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@@]1(C2CCC2)[NH2+]CCc2ccsc21 ZINC000712545293 537792634 /nfs/dbraw/zinc/79/26/34/537792634.db2.gz LUUDNTHYTYJENL-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO CC(C)[C@H](C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712545306 537791858 /nfs/dbraw/zinc/79/18/58/537791858.db2.gz MFRWEWCSOAHRHI-GXSJLCMTSA-N 1 0 209.358 3.227 10 0 BGAERO CC(C)[C@@H](C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712545308 537791812 /nfs/dbraw/zinc/79/18/12/537791812.db2.gz MFRWEWCSOAHRHI-KOLCDFICSA-N 1 0 209.358 3.227 10 0 BGAERO CC(C)[C@@H](C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712545310 537793848 /nfs/dbraw/zinc/79/38/48/537793848.db2.gz MFRWEWCSOAHRHI-MWLCHTKSSA-N 1 0 209.358 3.227 10 0 BGAERO CC(C)[C@H](C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712545312 537793295 /nfs/dbraw/zinc/79/32/95/537793295.db2.gz MFRWEWCSOAHRHI-ONGXEEELSA-N 1 0 209.358 3.227 10 0 BGAERO CSCCC[C@@H]1[NH2+]CCc2ccsc21 ZINC000712545341 537792746 /nfs/dbraw/zinc/79/27/46/537792746.db2.gz NMQFHLUKMDDEAK-JTQLQIEISA-N 1 0 227.398 3.078 10 0 BGAERO CSCCC[C@H]1[NH2+]CCc2ccsc21 ZINC000712545343 537792524 /nfs/dbraw/zinc/79/25/24/537792524.db2.gz NMQFHLUKMDDEAK-SNVBAGLBSA-N 1 0 227.398 3.078 10 0 BGAERO CCC(C)(C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712545355 537792796 /nfs/dbraw/zinc/79/27/96/537792796.db2.gz OLYSKQMBTUOVRS-LLVKDONJSA-N 1 0 209.358 3.371 10 0 BGAERO CCC(C)(C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712545357 537791988 /nfs/dbraw/zinc/79/19/88/537791988.db2.gz OLYSKQMBTUOVRS-NSHDSACASA-N 1 0 209.358 3.371 10 0 BGAERO CC[C@H](C)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712545363 537792551 /nfs/dbraw/zinc/79/25/51/537792551.db2.gz OZZLZPLOTKMUPV-GXSJLCMTSA-N 1 0 209.358 3.371 10 0 BGAERO CC[C@@H](C)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712545365 537793615 /nfs/dbraw/zinc/79/36/15/537793615.db2.gz OZZLZPLOTKMUPV-KOLCDFICSA-N 1 0 209.358 3.371 10 0 BGAERO CC[C@@H](C)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712545367 537792789 /nfs/dbraw/zinc/79/27/89/537792789.db2.gz OZZLZPLOTKMUPV-MWLCHTKSSA-N 1 0 209.358 3.371 10 0 BGAERO CC[C@H](C)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712545369 537793749 /nfs/dbraw/zinc/79/37/49/537793749.db2.gz OZZLZPLOTKMUPV-ONGXEEELSA-N 1 0 209.358 3.371 10 0 BGAERO CC1(C)CC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712545389 537791788 /nfs/dbraw/zinc/79/17/88/537791788.db2.gz QVHSLQZJUBPQMM-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO CC1(C)CC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712545391 537791543 /nfs/dbraw/zinc/79/15/43/537791543.db2.gz QVHSLQZJUBPQMM-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO c1cc2c(s1)[C@@H]([C@@H]1CCCSC1)[NH2+]CC2 ZINC000712545625 537793309 /nfs/dbraw/zinc/79/33/09/537793309.db2.gz VWOIQLDDIZZYSL-GHMZBOCLSA-N 1 0 239.409 3.078 10 0 BGAERO c1cc2c(s1)[C@H]([C@@H]1CCCSC1)[NH2+]CC2 ZINC000712545627 537793516 /nfs/dbraw/zinc/79/35/16/537793516.db2.gz VWOIQLDDIZZYSL-MNOVXSKESA-N 1 0 239.409 3.078 10 0 BGAERO c1cc2c(s1)[C@H]([C@H]1CCCSC1)[NH2+]CC2 ZINC000712545629 537793758 /nfs/dbraw/zinc/79/37/58/537793758.db2.gz VWOIQLDDIZZYSL-QWRGUYRKSA-N 1 0 239.409 3.078 10 0 BGAERO c1cc2c(s1)[C@@H]([C@H]1CCCSC1)[NH2+]CC2 ZINC000712545631 537791907 /nfs/dbraw/zinc/79/19/07/537791907.db2.gz VWOIQLDDIZZYSL-WDEREUQCSA-N 1 0 239.409 3.078 10 0 BGAERO CCC[C@]1(C2CC2)[NH2+]CCc2ccsc21 ZINC000712553240 537792609 /nfs/dbraw/zinc/79/26/09/537792609.db2.gz LDANPAYYCZLQQJ-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO CCC[C@@]1(C2CC2)[NH2+]CCc2ccsc21 ZINC000712553241 537792576 /nfs/dbraw/zinc/79/25/76/537792576.db2.gz LDANPAYYCZLQQJ-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO CC(C)CC[C@H]1[NH2+]CCc2ccsc21 ZINC000712553256 537793607 /nfs/dbraw/zinc/79/36/07/537793607.db2.gz MTLUYZBLBCCANV-LLVKDONJSA-N 1 0 209.358 3.371 10 0 BGAERO CC(C)CC[C@@H]1[NH2+]CCc2ccsc21 ZINC000712553257 537793569 /nfs/dbraw/zinc/79/35/69/537793569.db2.gz MTLUYZBLBCCANV-NSHDSACASA-N 1 0 209.358 3.371 10 0 BGAERO CCSCC[C@@H]1[NH2+]CCc2ccsc21 ZINC000712553478 538954767 /nfs/dbraw/zinc/95/47/67/538954767.db2.gz YUBAPOAYQQPLNV-JTQLQIEISA-N 1 0 227.398 3.078 10 0 BGAERO CCSCC[C@H]1[NH2+]CCc2ccsc21 ZINC000712553480 538955182 /nfs/dbraw/zinc/95/51/82/538955182.db2.gz YUBAPOAYQQPLNV-SNVBAGLBSA-N 1 0 227.398 3.078 10 0 BGAERO c1cc2c(s1)[C@]1(CC3CCC1CC3)[NH2+]CC2 ZINC000712559055 537793103 /nfs/dbraw/zinc/79/31/03/537793103.db2.gz HHOMZTWPNRWJPF-MMWSSPAHSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@@]1(CC3CCC1CC3)[NH2+]CC2 ZINC000712559056 537792823 /nfs/dbraw/zinc/79/28/23/537792823.db2.gz HHOMZTWPNRWJPF-OVGLSYRBSA-N 1 0 233.380 3.299 10 0 BGAERO CC(C)C1CC2(C1)[NH2+]CCc1ccsc12 ZINC000712559065 537793500 /nfs/dbraw/zinc/79/35/00/537793500.db2.gz HOIBTCIIDWIOTJ-UHFFFAOYSA-N 1 0 221.369 3.155 10 0 BGAERO c1cc2c(s1)[C@@H](CCC1CC1)[NH2+]CC2 ZINC000712559068 537792716 /nfs/dbraw/zinc/79/27/16/537792716.db2.gz HZCATHAUFIIKMU-LLVKDONJSA-N 1 0 207.342 3.125 10 0 BGAERO c1cc2c(s1)[C@H](CCC1CC1)[NH2+]CC2 ZINC000712559069 537792439 /nfs/dbraw/zinc/79/24/39/537792439.db2.gz HZCATHAUFIIKMU-NSHDSACASA-N 1 0 207.342 3.125 10 0 BGAERO C[C@]1(CC2CCC2)[NH2+]CCc2ccsc21 ZINC000712559304 537793220 /nfs/dbraw/zinc/79/32/20/537793220.db2.gz KDHKNDOFSOTSOP-CYBMUJFWSA-N 1 0 221.369 3.299 10 0 BGAERO C[C@@]1(CC2CCC2)[NH2+]CCc2ccsc21 ZINC000712559305 537791501 /nfs/dbraw/zinc/79/15/01/537791501.db2.gz KDHKNDOFSOTSOP-ZDUSSCGKSA-N 1 0 221.369 3.299 10 0 BGAERO CC[C@]1([C@@H]2C[C@H]2C)[NH2+]CCc2ccsc21 ZINC000712559644 537792828 /nfs/dbraw/zinc/79/28/28/537792828.db2.gz XVRDNBMAGPSPCF-IRUJWGPZSA-N 1 0 221.369 3.155 10 0 BGAERO CC[C@]1([C@H]2C[C@H]2C)[NH2+]CCc2ccsc21 ZINC000712559645 537793145 /nfs/dbraw/zinc/79/31/45/537793145.db2.gz XVRDNBMAGPSPCF-SUZMYJTESA-N 1 0 221.369 3.155 10 0 BGAERO CC[C@]1([C@@H]2C[C@@H]2C)[NH2+]CCc2ccsc21 ZINC000712559646 537792428 /nfs/dbraw/zinc/79/24/28/537792428.db2.gz XVRDNBMAGPSPCF-UFGOTCBOSA-N 1 0 221.369 3.155 10 0 BGAERO CC[C@]1([C@H]2C[C@@H]2C)[NH2+]CCc2ccsc21 ZINC000712559647 537793095 /nfs/dbraw/zinc/79/30/95/537793095.db2.gz XVRDNBMAGPSPCF-XHVZSJERSA-N 1 0 221.369 3.155 10 0 BGAERO CSC1([C@@H]2[NH2+]CCc3ccsc32)CCC1 ZINC000712563182 541308321 /nfs/dbraw/zinc/30/83/21/541308321.db2.gz NBKLDNVNBGVFIL-LLVKDONJSA-N 1 0 239.409 3.221 10 0 BGAERO CSC1([C@H]2[NH2+]CCc3ccsc32)CCC1 ZINC000712563185 541308269 /nfs/dbraw/zinc/30/82/69/541308269.db2.gz NBKLDNVNBGVFIL-NSHDSACASA-N 1 0 239.409 3.221 10 0 BGAERO CCCC[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712563312 537794401 /nfs/dbraw/zinc/79/44/01/537794401.db2.gz UKHXUQNWEZVWAQ-GFCCVEGCSA-N 1 0 209.358 3.299 10 0 BGAERO CCCC[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712563315 537794765 /nfs/dbraw/zinc/79/47/65/537794765.db2.gz UKHXUQNWEZVWAQ-LBPRGKRZSA-N 1 0 209.358 3.299 10 0 BGAERO C[C@@]1([C@@H]2[NH2+]CCc3ccsc32)CCCS1 ZINC000712563337 537794879 /nfs/dbraw/zinc/79/48/79/537794879.db2.gz UPBYUVMPZOFVBE-NEPJUHHUSA-N 1 0 239.409 3.221 10 0 BGAERO C[C@]1([C@H]2[NH2+]CCc3ccsc32)CCCS1 ZINC000712563341 537794346 /nfs/dbraw/zinc/79/43/46/537794346.db2.gz UPBYUVMPZOFVBE-NWDGAFQWSA-N 1 0 239.409 3.221 10 0 BGAERO C[C@@]1([C@H]2[NH2+]CCc3ccsc32)CCCS1 ZINC000712563347 537795210 /nfs/dbraw/zinc/79/52/10/537795210.db2.gz UPBYUVMPZOFVBE-RYUDHWBXSA-N 1 0 239.409 3.221 10 0 BGAERO C[C@]1([C@@H]2[NH2+]CCc3ccsc32)CCCS1 ZINC000712563350 537794409 /nfs/dbraw/zinc/79/44/09/537794409.db2.gz UPBYUVMPZOFVBE-VXGBXAGGSA-N 1 0 239.409 3.221 10 0 BGAERO CSC(C)(C)C[C@@H]1[NH2+]CCc2ccsc21 ZINC000712563939 537795389 /nfs/dbraw/zinc/79/53/89/537795389.db2.gz ZIXWKRSIKNEZDM-JTQLQIEISA-N 1 0 241.425 3.467 10 0 BGAERO CSC(C)(C)C[C@H]1[NH2+]CCc2ccsc21 ZINC000712563948 537794639 /nfs/dbraw/zinc/79/46/39/537794639.db2.gz ZIXWKRSIKNEZDM-SNVBAGLBSA-N 1 0 241.425 3.467 10 0 BGAERO c1cc2c(s1)C1(CCCCCC1)[NH2+]CC2 ZINC000712566529 537795125 /nfs/dbraw/zinc/79/51/25/537795125.db2.gz BQFXGIVTOVTMHA-UHFFFAOYSA-N 1 0 221.369 3.443 10 0 BGAERO c1cc2c(s1)[C@@H]([C@H]1CC=CCC1)[NH2+]CC2 ZINC000712566532 537795676 /nfs/dbraw/zinc/79/56/76/537795676.db2.gz BTEUAFXGFATFIE-CMPLNLGQSA-N 1 0 219.353 3.291 10 0 BGAERO c1cc2c(s1)[C@H]([C@H]1CC=CCC1)[NH2+]CC2 ZINC000712566536 537795332 /nfs/dbraw/zinc/79/53/32/537795332.db2.gz BTEUAFXGFATFIE-JQWIXIFHSA-N 1 0 219.353 3.291 10 0 BGAERO c1cc2c(s1)[C@H]([C@@H]1CC=CCC1)[NH2+]CC2 ZINC000712566539 537795306 /nfs/dbraw/zinc/79/53/06/537795306.db2.gz BTEUAFXGFATFIE-PWSUYJOCSA-N 1 0 219.353 3.291 10 0 BGAERO c1cc2c(s1)[C@@H]([C@@H]1CC=CCC1)[NH2+]CC2 ZINC000712566543 537794434 /nfs/dbraw/zinc/79/44/34/537794434.db2.gz BTEUAFXGFATFIE-ZYHUDNBSSA-N 1 0 219.353 3.291 10 0 BGAERO Cc1ccsc1[C@@H]1[NH2+]CCc2ccsc21 ZINC000712567626 537795403 /nfs/dbraw/zinc/79/54/03/537795403.db2.gz STPXGBXXTGQVTG-JTQLQIEISA-N 1 0 235.377 3.353 10 0 BGAERO Cc1ccsc1[C@H]1[NH2+]CCc2ccsc21 ZINC000712567629 537794663 /nfs/dbraw/zinc/79/46/63/537794663.db2.gz STPXGBXXTGQVTG-SNVBAGLBSA-N 1 0 235.377 3.353 10 0 BGAERO CC[C@@H](C)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712567821 538954768 /nfs/dbraw/zinc/95/47/68/538954768.db2.gz ZHZGKRRVVDHSDS-BXKDBHETSA-N 1 0 209.358 3.155 10 0 BGAERO CC[C@H](C)[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712567822 537794515 /nfs/dbraw/zinc/79/45/15/537794515.db2.gz ZHZGKRRVVDHSDS-CABZTGNLSA-N 1 0 209.358 3.155 10 0 BGAERO CC[C@H](C)[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712567824 537795031 /nfs/dbraw/zinc/79/50/31/537795031.db2.gz ZHZGKRRVVDHSDS-JOYOIKCWSA-N 1 0 209.358 3.155 10 0 BGAERO CC[C@@H](C)[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712567825 537794392 /nfs/dbraw/zinc/79/43/92/537794392.db2.gz ZHZGKRRVVDHSDS-SKDRFNHKSA-N 1 0 209.358 3.155 10 0 BGAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712574363 537790957 /nfs/dbraw/zinc/79/09/57/537790957.db2.gz DJEOIRIGBUDXIO-GWCFXTLKSA-N 1 0 221.369 3.299 10 0 BGAERO C[C@H]1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712574367 537789219 /nfs/dbraw/zinc/78/92/19/537789219.db2.gz DJEOIRIGBUDXIO-GXFFZTMASA-N 1 0 221.369 3.299 10 0 BGAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]CCc1ccsc12 ZINC000712574371 537789289 /nfs/dbraw/zinc/78/92/89/537789289.db2.gz DJEOIRIGBUDXIO-MFKMUULPSA-N 1 0 221.369 3.299 10 0 BGAERO C[C@@H]1CCC[C@]2(C1)[NH2+]CCc1ccsc12 ZINC000712574375 537789007 /nfs/dbraw/zinc/78/90/07/537789007.db2.gz DJEOIRIGBUDXIO-ZWNOBZJWSA-N 1 0 221.369 3.299 10 0 BGAERO CCC(CC)[C@H]1[NH2+]CCc2ccsc21 ZINC000712574395 537789385 /nfs/dbraw/zinc/78/93/85/537789385.db2.gz FXZRZNQQKPKAGV-LLVKDONJSA-N 1 0 209.358 3.371 10 0 BGAERO CCC(CC)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712574396 537790807 /nfs/dbraw/zinc/79/08/07/537790807.db2.gz FXZRZNQQKPKAGV-NSHDSACASA-N 1 0 209.358 3.371 10 0 BGAERO Cc1ccc([C@H]2[NH2+]CCc3ccsc32)s1 ZINC000712574422 537791011 /nfs/dbraw/zinc/79/10/11/537791011.db2.gz JPUROFUCEQPYJT-LLVKDONJSA-N 1 0 235.377 3.353 10 0 BGAERO Cc1ccc([C@@H]2[NH2+]CCc3ccsc32)s1 ZINC000712574425 537788981 /nfs/dbraw/zinc/78/89/81/537788981.db2.gz JPUROFUCEQPYJT-NSHDSACASA-N 1 0 235.377 3.353 10 0 BGAERO c1cc([C@@H]2[NH2+]CCc3ccsc32)cs1 ZINC000712574520 537790016 /nfs/dbraw/zinc/79/00/16/537790016.db2.gz RPQDKBVNQCFINP-JTQLQIEISA-N 1 0 221.350 3.045 10 0 BGAERO c1cc([C@H]2[NH2+]CCc3ccsc32)cs1 ZINC000712574522 537789546 /nfs/dbraw/zinc/78/95/46/537789546.db2.gz RPQDKBVNQCFINP-SNVBAGLBSA-N 1 0 221.350 3.045 10 0 BGAERO CCC[C@H](C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712581012 537794413 /nfs/dbraw/zinc/79/44/13/537794413.db2.gz BXHOKGDICURUCG-GXSJLCMTSA-N 1 0 209.358 3.371 10 0 BGAERO CCC[C@@H](C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712581016 537794395 /nfs/dbraw/zinc/79/43/95/537794395.db2.gz BXHOKGDICURUCG-KOLCDFICSA-N 1 0 209.358 3.371 10 0 BGAERO CCC[C@@H](C)[C@H]1[NH2+]CCc2ccsc21 ZINC000712581020 537795550 /nfs/dbraw/zinc/79/55/50/537795550.db2.gz BXHOKGDICURUCG-MWLCHTKSSA-N 1 0 209.358 3.371 10 0 BGAERO CCC[C@H](C)[C@@H]1[NH2+]CCc2ccsc21 ZINC000712581024 537795221 /nfs/dbraw/zinc/79/52/21/537795221.db2.gz BXHOKGDICURUCG-ONGXEEELSA-N 1 0 209.358 3.371 10 0 BGAERO CC1(C)C[C@@H]1[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712581123 537795485 /nfs/dbraw/zinc/79/54/85/537795485.db2.gz DJHHXRLLGIDPRA-GWCFXTLKSA-N 1 0 221.369 3.155 10 0 BGAERO CC1(C)C[C@@H]1[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712581128 537794953 /nfs/dbraw/zinc/79/49/53/537794953.db2.gz DJHHXRLLGIDPRA-GXFFZTMASA-N 1 0 221.369 3.155 10 0 BGAERO CC1(C)C[C@H]1[C@]1(C)[NH2+]CCc2ccsc21 ZINC000712581132 537795000 /nfs/dbraw/zinc/79/50/00/537795000.db2.gz DJHHXRLLGIDPRA-MFKMUULPSA-N 1 0 221.369 3.155 10 0 BGAERO CC1(C)C[C@H]1[C@@]1(C)[NH2+]CCc2ccsc21 ZINC000712581137 537794887 /nfs/dbraw/zinc/79/48/87/537794887.db2.gz DJHHXRLLGIDPRA-ZWNOBZJWSA-N 1 0 221.369 3.155 10 0 BGAERO CC(C)C1(C(C)C)[NH2+]CCc2ccsc21 ZINC000712582062 538954976 /nfs/dbraw/zinc/95/49/76/538954976.db2.gz ZULDROHTUOWFCD-UHFFFAOYSA-N 1 0 223.385 3.401 10 0 BGAERO c1cc2c(s1)C1(CCC3(CC3)CC1)[NH2+]CC2 ZINC000712586846 537795523 /nfs/dbraw/zinc/79/55/23/537795523.db2.gz BQKRZXIGYCEQDV-UHFFFAOYSA-N 1 0 233.380 3.443 10 0 BGAERO C[C@@H]1CC[C@]2(CS1)[NH2+]CCc1ccsc12 ZINC000712588154 537795338 /nfs/dbraw/zinc/79/53/38/537795338.db2.gz WGOCNZFUNMWDAG-BXKDBHETSA-N 1 0 239.409 3.005 10 0 BGAERO C[C@H]1CC[C@@]2(CS1)[NH2+]CCc1ccsc12 ZINC000712588155 537795436 /nfs/dbraw/zinc/79/54/36/537795436.db2.gz WGOCNZFUNMWDAG-CABZTGNLSA-N 1 0 239.409 3.005 10 0 BGAERO C[C@H]1CC[C@]2(CS1)[NH2+]CCc1ccsc12 ZINC000712588156 537794721 /nfs/dbraw/zinc/79/47/21/537794721.db2.gz WGOCNZFUNMWDAG-JOYOIKCWSA-N 1 0 239.409 3.005 10 0 BGAERO C[C@@H]1CC[C@@]2(CS1)[NH2+]CCc1ccsc12 ZINC000712588157 537794965 /nfs/dbraw/zinc/79/49/65/537794965.db2.gz WGOCNZFUNMWDAG-SKDRFNHKSA-N 1 0 239.409 3.005 10 0 BGAERO CCc1ccc([C@H]2[NH2+]CCc3ccsc32)o1 ZINC000712590912 537795584 /nfs/dbraw/zinc/79/55/84/537795584.db2.gz PJADSRMYLUHQHX-GFCCVEGCSA-N 1 0 233.336 3.139 10 0 BGAERO CCc1ccc([C@@H]2[NH2+]CCc3ccsc32)o1 ZINC000712590914 537794903 /nfs/dbraw/zinc/79/49/03/537794903.db2.gz PJADSRMYLUHQHX-LBPRGKRZSA-N 1 0 233.336 3.139 10 0 BGAERO FC1(F)CC[C@@H]([C@H]2[NH2+]CCc3ccsc32)C1 ZINC000712969411 537796658 /nfs/dbraw/zinc/79/66/58/537796658.db2.gz GGWJYKUERSNZRA-NXEZZACHSA-N 1 0 243.322 3.370 10 0 BGAERO FC1(F)CC[C@H]([C@@H]2[NH2+]CCc3ccsc32)C1 ZINC000712969412 537796643 /nfs/dbraw/zinc/79/66/43/537796643.db2.gz GGWJYKUERSNZRA-UWVGGRQHSA-N 1 0 243.322 3.370 10 0 BGAERO FC1(F)CC[C@H]([C@H]2[NH2+]CCc3ccsc32)C1 ZINC000712969413 537796580 /nfs/dbraw/zinc/79/65/80/537796580.db2.gz GGWJYKUERSNZRA-VHSXEESVSA-N 1 0 243.322 3.370 10 0 BGAERO FC1(F)CC[C@@H]([C@@H]2[NH2+]CCc3ccsc32)C1 ZINC000712969414 537796095 /nfs/dbraw/zinc/79/60/95/537796095.db2.gz GGWJYKUERSNZRA-ZJUUUORDSA-N 1 0 243.322 3.370 10 0 BGAERO FC1(F)CC[C@H]([C@H]2[NH2+]CCc3sccc32)C1 ZINC000712971112 537796516 /nfs/dbraw/zinc/79/65/16/537796516.db2.gz NJBGQMMIJIMISR-GZMMTYOYSA-N 1 0 243.322 3.370 10 0 BGAERO FC1(F)CC[C@@H]([C@@H]2[NH2+]CCc3sccc32)C1 ZINC000712971114 537796176 /nfs/dbraw/zinc/79/61/76/537796176.db2.gz NJBGQMMIJIMISR-KCJUWKMLSA-N 1 0 243.322 3.370 10 0 BGAERO FC1(F)CC[C@H]([C@@H]2[NH2+]CCc3sccc32)C1 ZINC000712971115 537796188 /nfs/dbraw/zinc/79/61/88/537796188.db2.gz NJBGQMMIJIMISR-KWQFWETISA-N 1 0 243.322 3.370 10 0 BGAERO FC1(F)CC[C@@H]([C@H]2[NH2+]CCc3sccc32)C1 ZINC000712971117 537796040 /nfs/dbraw/zinc/79/60/40/537796040.db2.gz NJBGQMMIJIMISR-LDYMZIIASA-N 1 0 243.322 3.370 10 0 BGAERO COCC1CC([NH2+][C@H]2CC(C)(C)CC[C@@H]2C)C1 ZINC000713064039 712451739 /nfs/dbraw/zinc/45/17/39/712451739.db2.gz WVLROJRMWQOEPN-ABXWRUBCSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2CC(C)(C)CC[C@H]2C)C1 ZINC000713064041 712451769 /nfs/dbraw/zinc/45/17/69/712451769.db2.gz WVLROJRMWQOEPN-BLYZHGLHSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2CC(C)(C)CC[C@@H]2C)C1 ZINC000713064044 712451924 /nfs/dbraw/zinc/45/19/24/712451924.db2.gz WVLROJRMWQOEPN-GFJIZPEISA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@H]2CC(C)(C)CC[C@H]2C)C1 ZINC000713064046 712452030 /nfs/dbraw/zinc/45/20/30/712452030.db2.gz WVLROJRMWQOEPN-RYSNWHEDSA-N 1 0 239.403 3.216 10 0 BGAERO Clc1ncsc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000713446649 712460222 /nfs/dbraw/zinc/46/02/22/712460222.db2.gz GKXWGDJHNCPNFI-DJLDLDEBSA-N 1 0 242.775 3.075 10 0 BGAERO CC(C)C1([NH2+]Cc2scnc2Cl)CC1 ZINC000713476547 712461525 /nfs/dbraw/zinc/46/15/25/712461525.db2.gz LAQMGJKLPOORBA-UHFFFAOYSA-N 1 0 230.764 3.075 10 0 BGAERO C=C/C=C\CC[NH2+][C@H]1CCc2c1cccc2O ZINC000713489958 712462061 /nfs/dbraw/zinc/46/20/61/712462061.db2.gz DOQMHDKEMSXFQX-NQHOJNORSA-N 1 0 229.323 3.101 10 0 BGAERO C=C/C=C/CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000713489959 712462031 /nfs/dbraw/zinc/46/20/31/712462031.db2.gz DOQMHDKEMSXFQX-RDFMZFSFSA-N 1 0 229.323 3.101 10 0 BGAERO C=C/C=C\CC[NH2+][C@@H]1CCc2c1cccc2O ZINC000713489960 712462095 /nfs/dbraw/zinc/46/20/95/712462095.db2.gz DOQMHDKEMSXFQX-VQTKUKTRSA-N 1 0 229.323 3.101 10 0 BGAERO C=C/C=C/CC[NH2+][C@H]1CCc2c1cccc2O ZINC000713489961 712462277 /nfs/dbraw/zinc/46/22/77/712462277.db2.gz DOQMHDKEMSXFQX-XGACYXMMSA-N 1 0 229.323 3.101 10 0 BGAERO C=C/C=C/CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000713498829 712462934 /nfs/dbraw/zinc/46/29/34/712462934.db2.gz KNCVWHDOQPBNDN-BCPZQOPPSA-N 1 0 247.386 3.303 10 0 BGAERO C=C/C=C/CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000713498830 712462841 /nfs/dbraw/zinc/46/28/41/712462841.db2.gz KNCVWHDOQPBNDN-IDVQTMNDSA-N 1 0 247.386 3.303 10 0 BGAERO C=C/C=C\CC[NH2+][C@H](C)c1c(C)nn(CC)c1C ZINC000713498831 712463157 /nfs/dbraw/zinc/46/31/57/712463157.db2.gz KNCVWHDOQPBNDN-JLVNDZCYSA-N 1 0 247.386 3.303 10 0 BGAERO C=C/C=C\CC[NH2+][C@@H](C)c1c(C)nn(CC)c1C ZINC000713498832 712463039 /nfs/dbraw/zinc/46/30/39/712463039.db2.gz KNCVWHDOQPBNDN-LAUAKBEESA-N 1 0 247.386 3.303 10 0 BGAERO CC[C@H](C)C[C@H](CC)[NH2+]C1CC(COC)C1 ZINC000713926370 712473258 /nfs/dbraw/zinc/47/32/58/712473258.db2.gz GCWXDVZVHYBHQA-AHPWVWPOSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H](C)C[C@@H](CC)[NH2+]C1CC(COC)C1 ZINC000713926372 712473500 /nfs/dbraw/zinc/47/35/00/712473500.db2.gz GCWXDVZVHYBHQA-NELGMTEASA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H](C[C@@H](C)CC)[NH2+]C1CC(COC)C1 ZINC000713926374 712473473 /nfs/dbraw/zinc/47/34/73/712473473.db2.gz GCWXDVZVHYBHQA-RJZJGCCBSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@@H](C)C[C@H](CC)[NH2+]C1CC(COC)C1 ZINC000713926376 712473303 /nfs/dbraw/zinc/47/33/03/712473303.db2.gz GCWXDVZVHYBHQA-ZIHBUVQPSA-N 1 0 227.392 3.216 10 0 BGAERO CCCCCC[C@H](C)[NH2+]C1CC(COC)C1 ZINC000713928903 712473765 /nfs/dbraw/zinc/47/37/65/712473765.db2.gz SAJRHAKJHAJJFW-HSBZDZAISA-N 1 0 227.392 3.360 10 0 BGAERO CCCCCC[C@@H](C)[NH2+]C1CC(COC)C1 ZINC000713928905 712473591 /nfs/dbraw/zinc/47/35/91/712473591.db2.gz SAJRHAKJHAJJFW-IYXRBSQSSA-N 1 0 227.392 3.360 10 0 BGAERO COCC1CC([NH2+]C2CCCCCCC2)C1 ZINC000713929331 712473693 /nfs/dbraw/zinc/47/36/93/712473693.db2.gz SWCUERXZNZPOGV-UHFFFAOYSA-N 1 0 225.376 3.114 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2ccc(C)s2)C1 ZINC000713929476 712473829 /nfs/dbraw/zinc/47/38/29/712473829.db2.gz BWCCTPQBORFWRW-UNXYVOJBSA-N 1 0 239.384 3.132 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2ccc(C)s2)C1 ZINC000713929477 712473792 /nfs/dbraw/zinc/47/37/92/712473792.db2.gz BWCCTPQBORFWRW-VOMCLLRMSA-N 1 0 239.384 3.132 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2sccc2C)C1 ZINC000713930748 712473870 /nfs/dbraw/zinc/47/38/70/712473870.db2.gz NBYCPTAWSREQHX-UNXYVOJBSA-N 1 0 239.384 3.132 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2sccc2C)C1 ZINC000713930753 712473908 /nfs/dbraw/zinc/47/39/08/712473908.db2.gz NBYCPTAWSREQHX-VOMCLLRMSA-N 1 0 239.384 3.132 10 0 BGAERO CC[C@@H]([NH2+]C1CC(COC)C1)c1cccs1 ZINC000713931206 712473884 /nfs/dbraw/zinc/47/38/84/712473884.db2.gz PMQVJLRZUYDRJT-HTAVTVPLSA-N 1 0 239.384 3.214 10 0 BGAERO CC[C@H]([NH2+]C1CC(COC)C1)c1cccs1 ZINC000713931209 712473846 /nfs/dbraw/zinc/47/38/46/712473846.db2.gz PMQVJLRZUYDRJT-MCIGGMRASA-N 1 0 239.384 3.214 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2ccc(C)cc2)C1 ZINC000713935013 712473740 /nfs/dbraw/zinc/47/37/40/712473740.db2.gz JMZDDMQVWZGPHM-DNOWBOINSA-N 1 0 233.355 3.071 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2ccc(C)cc2)C1 ZINC000713935014 712473772 /nfs/dbraw/zinc/47/37/72/712473772.db2.gz JMZDDMQVWZGPHM-OPFPJEHXSA-N 1 0 233.355 3.071 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2ccccc2C)C1 ZINC000713935338 712474100 /nfs/dbraw/zinc/47/41/00/712474100.db2.gz LONYMTVXEZZBET-HSBZDZAISA-N 1 0 233.355 3.071 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2ccccc2C)C1 ZINC000713935339 712474264 /nfs/dbraw/zinc/47/42/64/712474264.db2.gz LONYMTVXEZZBET-IYXRBSQSSA-N 1 0 233.355 3.071 10 0 BGAERO CC[C@@H]([NH2+]C1CC(COC)C1)c1ccccc1 ZINC000713936231 712474323 /nfs/dbraw/zinc/47/43/23/712474323.db2.gz VXPFMIHAWGLTHY-PESDSKBTSA-N 1 0 233.355 3.152 10 0 BGAERO CC[C@H]([NH2+]C1CC(COC)C1)c1ccccc1 ZINC000713936232 712474193 /nfs/dbraw/zinc/47/41/93/712474193.db2.gz VXPFMIHAWGLTHY-ZALBZXLWSA-N 1 0 233.355 3.152 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC000713936526 712474283 /nfs/dbraw/zinc/47/42/83/712474283.db2.gz YLMVSLFQFJXHFB-DNOWBOINSA-N 1 0 233.355 3.071 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC000713936527 712474064 /nfs/dbraw/zinc/47/40/64/712474064.db2.gz YLMVSLFQFJXHFB-OPFPJEHXSA-N 1 0 233.355 3.071 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000713943144 712474235 /nfs/dbraw/zinc/47/42/35/712474235.db2.gz MTHAFQRQQHARRF-JXQTWKCFSA-N 1 0 237.387 3.114 10 0 BGAERO COCC1CC([NH2+][C@H]2CCCC23CCCC3)C1 ZINC000713943146 712474125 /nfs/dbraw/zinc/47/41/25/712474125.db2.gz MTHAFQRQQHARRF-RUXDESIVSA-N 1 0 237.387 3.114 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2csc(C)c2)C1 ZINC000713951497 712474496 /nfs/dbraw/zinc/47/44/96/712474496.db2.gz BUEUMCLEYRONLC-XSRFYTQQSA-N 1 0 239.384 3.132 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2csc(C)c2)C1 ZINC000713951500 712474614 /nfs/dbraw/zinc/47/46/14/712474614.db2.gz BUEUMCLEYRONLC-ZBOXLXRLSA-N 1 0 239.384 3.132 10 0 BGAERO CCC(CC)(CC)C[NH2+]C1CC(COC)C1 ZINC000713951555 712474523 /nfs/dbraw/zinc/47/45/23/712474523.db2.gz CPYSWAPPWHFWMT-UHFFFAOYSA-N 1 0 227.392 3.217 10 0 BGAERO COCC1CC([NH2+]CC2CCC(C)(C)CC2)C1 ZINC000713951866 712474658 /nfs/dbraw/zinc/47/46/58/712474658.db2.gz DNWDBXHXSMSVRD-UHFFFAOYSA-N 1 0 239.403 3.217 10 0 BGAERO COCC1CC([NH2+][C@H]2CCC(C)(C)C[C@@H]2C)C1 ZINC000713952833 712474815 /nfs/dbraw/zinc/47/48/15/712474815.db2.gz LLCRLTZLHRZZSH-ABXWRUBCSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCC(C)(C)C[C@H]2C)C1 ZINC000713952837 712474692 /nfs/dbraw/zinc/47/46/92/712474692.db2.gz LLCRLTZLHRZZSH-BLYZHGLHSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCC(C)(C)C[C@@H]2C)C1 ZINC000713952839 712474731 /nfs/dbraw/zinc/47/47/31/712474731.db2.gz LLCRLTZLHRZZSH-GFJIZPEISA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@H]2CCC(C)(C)C[C@H]2C)C1 ZINC000713952843 712474543 /nfs/dbraw/zinc/47/45/43/712474543.db2.gz LLCRLTZLHRZZSH-RYSNWHEDSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@H]2CCCC[C@@H]2C(C)C)C1 ZINC000713954114 712474723 /nfs/dbraw/zinc/47/47/23/712474723.db2.gz VTCHEHINVIEBNR-CVSAEHQPSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCCC[C@@H]2C(C)C)C1 ZINC000713954116 712474502 /nfs/dbraw/zinc/47/45/02/712474502.db2.gz VTCHEHINVIEBNR-NEXFUWMNSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCCC[C@H]2C(C)C)C1 ZINC000713954117 712474719 /nfs/dbraw/zinc/47/47/19/712474719.db2.gz VTCHEHINVIEBNR-PFSRBDOWSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@H]2CCCC[C@H]2C(C)C)C1 ZINC000713954118 712474541 /nfs/dbraw/zinc/47/45/41/712474541.db2.gz VTCHEHINVIEBNR-WUCCLRPBSA-N 1 0 239.403 3.216 10 0 BGAERO CC[C@H]([NH2+]C1CC(COC)C1)c1ccsc1 ZINC000713954214 712474593 /nfs/dbraw/zinc/47/45/93/712474593.db2.gz YJADIYYJBQWYTH-GDKBPFBDSA-N 1 0 239.384 3.214 10 0 BGAERO CC[C@@H]([NH2+]C1CC(COC)C1)c1ccsc1 ZINC000713954215 712474794 /nfs/dbraw/zinc/47/47/94/712474794.db2.gz YJADIYYJBQWYTH-KGPNIALWSA-N 1 0 239.384 3.214 10 0 BGAERO COCC1CC([NH2+]C2CCC(C(C)C)CC2)C1 ZINC000713954253 712474773 /nfs/dbraw/zinc/47/47/73/712474773.db2.gz ZJHDEJYYCLMDFL-UHFFFAOYSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+]C(CC(C)C)CC(C)C)C1 ZINC000713957567 712475121 /nfs/dbraw/zinc/47/51/21/712475121.db2.gz AABJGKNBRSGFFF-UHFFFAOYSA-N 1 0 241.419 3.462 10 0 BGAERO COCC1CC([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000713957635 712475025 /nfs/dbraw/zinc/47/50/25/712475025.db2.gz BBZUGSFFQXDQCO-BLYZHGLHSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000713957637 712474984 /nfs/dbraw/zinc/47/49/84/712474984.db2.gz BBZUGSFFQXDQCO-RYSNWHEDSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+]CCCC2CCCCC2)C1 ZINC000713957678 712475176 /nfs/dbraw/zinc/47/51/76/712475176.db2.gz BKCGFKZSCLHTEK-UHFFFAOYSA-N 1 0 239.403 3.362 10 0 BGAERO COCC1CC([NH2+]CCC2CCCCCC2)C1 ZINC000713958145 712475044 /nfs/dbraw/zinc/47/50/44/712475044.db2.gz DHRJYWYIGYKVPX-UHFFFAOYSA-N 1 0 239.403 3.362 10 0 BGAERO CC[C@@H]1CCC[C@@H]([NH2+]C2CC(COC)C2)CC1 ZINC000713958666 712474980 /nfs/dbraw/zinc/47/49/80/712474980.db2.gz HSEPRMURAMCQNN-FEWQNLEASA-N 1 0 239.403 3.360 10 0 BGAERO CC[C@H]1CCC[C@@H]([NH2+]C2CC(COC)C2)CC1 ZINC000713958668 712475097 /nfs/dbraw/zinc/47/50/97/712475097.db2.gz HSEPRMURAMCQNN-FGZQJIAISA-N 1 0 239.403 3.360 10 0 BGAERO CC[C@@H]1CCC[C@H]([NH2+]C2CC(COC)C2)CC1 ZINC000713958669 712475183 /nfs/dbraw/zinc/47/51/83/712475183.db2.gz HSEPRMURAMCQNN-JLVJUDLZSA-N 1 0 239.403 3.360 10 0 BGAERO CC[C@H]1CCC[C@H]([NH2+]C2CC(COC)C2)CC1 ZINC000713958671 712475083 /nfs/dbraw/zinc/47/50/83/712475083.db2.gz HSEPRMURAMCQNN-LQULJDIASA-N 1 0 239.403 3.360 10 0 BGAERO COCC1CC([NH2+][C@H]2CCCC(C)(C)CC2)C1 ZINC000713958689 712474973 /nfs/dbraw/zinc/47/49/73/712474973.db2.gz IADQUHMHUWTBKG-MOKVOYLWSA-N 1 0 239.403 3.360 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCCC(C)(C)CC2)C1 ZINC000713958690 712475140 /nfs/dbraw/zinc/47/51/40/712475140.db2.gz IADQUHMHUWTBKG-ROKHWSDSSA-N 1 0 239.403 3.360 10 0 BGAERO CC[C@@H]1CCC[C@H](C[NH2+]C2CC(COC)C2)C1 ZINC000713958705 712475120 /nfs/dbraw/zinc/47/51/20/712475120.db2.gz IKGNYRUESSNCLM-DNDYEEKYSA-N 1 0 239.403 3.217 10 0 BGAERO CC[C@H]1CCC[C@H](C[NH2+]C2CC(COC)C2)C1 ZINC000713958706 712475159 /nfs/dbraw/zinc/47/51/59/712475159.db2.gz IKGNYRUESSNCLM-HESLUPGFSA-N 1 0 239.403 3.217 10 0 BGAERO CC[C@@H]1CCC[C@@H](C[NH2+]C2CC(COC)C2)C1 ZINC000713958707 712475158 /nfs/dbraw/zinc/47/51/58/712475158.db2.gz IKGNYRUESSNCLM-LMRVLLHPSA-N 1 0 239.403 3.217 10 0 BGAERO CC[C@H]1CCC[C@@H](C[NH2+]C2CC(COC)C2)C1 ZINC000713958708 712475055 /nfs/dbraw/zinc/47/50/55/712475055.db2.gz IKGNYRUESSNCLM-ZUJMUWTESA-N 1 0 239.403 3.217 10 0 BGAERO COCC1CC([NH2+][C@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000713958720 712475177 /nfs/dbraw/zinc/47/51/77/712475177.db2.gz IZRHFDCKIOLVQD-FUUBYGMNSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@H]2CCC[C@H](C(C)C)C2)C1 ZINC000713958721 712475152 /nfs/dbraw/zinc/47/51/52/712475152.db2.gz IZRHFDCKIOLVQD-GQKFXUNGSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCC[C@@H](C(C)C)C2)C1 ZINC000713958722 712475073 /nfs/dbraw/zinc/47/50/73/712475073.db2.gz IZRHFDCKIOLVQD-PIOWNMBXSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCC[C@H](C(C)C)C2)C1 ZINC000713958723 712475208 /nfs/dbraw/zinc/47/52/08/712475208.db2.gz IZRHFDCKIOLVQD-RAFNIBEQSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+]C[C@@H](C)C2CCCCC2)C1 ZINC000713959537 712475069 /nfs/dbraw/zinc/47/50/69/712475069.db2.gz MWOJHTHDTJWEOR-DNOWBOINSA-N 1 0 239.403 3.217 10 0 BGAERO COCC1CC([NH2+]C[C@H](C)C2CCCCC2)C1 ZINC000713959538 712474996 /nfs/dbraw/zinc/47/49/96/712474996.db2.gz MWOJHTHDTJWEOR-OPFPJEHXSA-N 1 0 239.403 3.217 10 0 BGAERO COCC1CC([NH2+][C@H](CCC(C)C)C2CC2)C1 ZINC000713961871 712475149 /nfs/dbraw/zinc/47/51/49/712475149.db2.gz VBUMYBKLICMOAP-PESDSKBTSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+][C@@H](CCC(C)C)C2CC2)C1 ZINC000713961874 712475057 /nfs/dbraw/zinc/47/50/57/712475057.db2.gz VBUMYBKLICMOAP-ZALBZXLWSA-N 1 0 239.403 3.216 10 0 BGAERO CCCC1CCC([NH2+]C2CC(COC)C2)CC1 ZINC000713962652 712475163 /nfs/dbraw/zinc/47/51/63/712475163.db2.gz ZSVZRHPONNNBSX-UHFFFAOYSA-N 1 0 239.403 3.360 10 0 BGAERO CCC[C@@H]([NH2+]C1CC(COC)C1)C1CCCC1 ZINC000713972412 712475665 /nfs/dbraw/zinc/47/56/65/712475665.db2.gz YUEDITFVNRKDLG-PESDSKBTSA-N 1 0 239.403 3.360 10 0 BGAERO CCC[C@H]([NH2+]C1CC(COC)C1)C1CCCC1 ZINC000713972414 712475634 /nfs/dbraw/zinc/47/56/34/712475634.db2.gz YUEDITFVNRKDLG-ZALBZXLWSA-N 1 0 239.403 3.360 10 0 BGAERO COCC1CC([NH2+]Cc2cccc(C3CC3)c2)C1 ZINC000713977344 712475601 /nfs/dbraw/zinc/47/56/01/712475601.db2.gz FXNPJNAGULNKSS-UHFFFAOYSA-N 1 0 245.366 3.079 10 0 BGAERO CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC(COC)C1 ZINC000713977483 712475633 /nfs/dbraw/zinc/47/56/33/712475633.db2.gz JYNQKJGTUGGLFJ-FUUBYGMNSA-N 1 0 239.403 3.217 10 0 BGAERO CC[C@H]1CCCC[C@H]1C[NH2+]C1CC(COC)C1 ZINC000713977487 712475472 /nfs/dbraw/zinc/47/54/72/712475472.db2.gz JYNQKJGTUGGLFJ-GQKFXUNGSA-N 1 0 239.403 3.217 10 0 BGAERO CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC(COC)C1 ZINC000713977488 712475477 /nfs/dbraw/zinc/47/54/77/712475477.db2.gz JYNQKJGTUGGLFJ-PIOWNMBXSA-N 1 0 239.403 3.217 10 0 BGAERO CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC(COC)C1 ZINC000713977489 712475567 /nfs/dbraw/zinc/47/55/67/712475567.db2.gz JYNQKJGTUGGLFJ-RAFNIBEQSA-N 1 0 239.403 3.217 10 0 BGAERO CCC[C@@H]([NH2+]C1CC(COC)C1)[C@@H]1CC1(C)C ZINC000713978418 712476129 /nfs/dbraw/zinc/47/61/29/712476129.db2.gz OTTPYSSULWTSJZ-CLRIEMFWSA-N 1 0 239.403 3.216 10 0 BGAERO CCC[C@H]([NH2+]C1CC(COC)C1)[C@@H]1CC1(C)C ZINC000713978420 712475925 /nfs/dbraw/zinc/47/59/25/712475925.db2.gz OTTPYSSULWTSJZ-HOAMVYINSA-N 1 0 239.403 3.216 10 0 BGAERO CCC[C@@H]([NH2+]C1CC(COC)C1)[C@H]1CC1(C)C ZINC000713978422 712476230 /nfs/dbraw/zinc/47/62/30/712476230.db2.gz OTTPYSSULWTSJZ-NWINJMCUSA-N 1 0 239.403 3.216 10 0 BGAERO CCC[C@H]([NH2+]C1CC(COC)C1)[C@H]1CC1(C)C ZINC000713978424 712476082 /nfs/dbraw/zinc/47/60/82/712476082.db2.gz OTTPYSSULWTSJZ-PQAZSJQKSA-N 1 0 239.403 3.216 10 0 BGAERO COCC1CC([NH2+]Cc2ccc(C3CC3)cc2)C1 ZINC000713978888 712475884 /nfs/dbraw/zinc/47/58/84/712475884.db2.gz OEOUMEONTTZEHT-UHFFFAOYSA-N 1 0 245.366 3.079 10 0 BGAERO COCC1CC([NH2+][C@H]2C[C@H](C)c3ccccc32)C1 ZINC000713978943 712476246 /nfs/dbraw/zinc/47/62/46/712476246.db2.gz PHOLKNPEEVZPBR-ITDKRANNSA-N 1 0 245.366 3.250 10 0 BGAERO COCC1CC([NH2+][C@@H]2C[C@@H](C)c3ccccc32)C1 ZINC000713978945 712475999 /nfs/dbraw/zinc/47/59/99/712475999.db2.gz PHOLKNPEEVZPBR-NEQJSVFRSA-N 1 0 245.366 3.250 10 0 BGAERO COCC1CC([NH2+][C@H]2C[C@@H](C)c3ccccc32)C1 ZINC000713978946 712476054 /nfs/dbraw/zinc/47/60/54/712476054.db2.gz PHOLKNPEEVZPBR-OCLKLICZSA-N 1 0 245.366 3.250 10 0 BGAERO COCC1CC([NH2+][C@@H]2C[C@H](C)c3ccccc32)C1 ZINC000713978948 712475895 /nfs/dbraw/zinc/47/58/95/712475895.db2.gz PHOLKNPEEVZPBR-PIISCBOPSA-N 1 0 245.366 3.250 10 0 BGAERO COCC1CC([NH2+][C@@H](c2ccccc2)C2CC2)C1 ZINC000713978971 712475964 /nfs/dbraw/zinc/47/59/64/712475964.db2.gz PPRZTELFLPQDBA-MOQPWLNLSA-N 1 0 245.366 3.152 10 0 BGAERO COCC1CC([NH2+][C@H](c2ccccc2)C2CC2)C1 ZINC000713978972 712476201 /nfs/dbraw/zinc/47/62/01/712476201.db2.gz PPRZTELFLPQDBA-VDSRIPIWSA-N 1 0 245.366 3.152 10 0 BGAERO COCC1CC([NH2+]Cc2ccccc2C2CC2)C1 ZINC000713982785 712476249 /nfs/dbraw/zinc/47/62/49/712476249.db2.gz ZMYPKUNOPCHDAY-UHFFFAOYSA-N 1 0 245.366 3.079 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC000713982789 712476133 /nfs/dbraw/zinc/47/61/33/712476133.db2.gz ZTDNZBLTDBVZBW-LDZOIKDWSA-N 1 0 245.366 3.079 10 0 BGAERO COCC1CC([NH2+][C@H]2CCCc3ccccc32)C1 ZINC000713982790 712475949 /nfs/dbraw/zinc/47/59/49/712475949.db2.gz ZTDNZBLTDBVZBW-PXCJXSSVSA-N 1 0 245.366 3.079 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2ccc(C)c(C)c2)C1 ZINC000713983435 712475935 /nfs/dbraw/zinc/47/59/35/712475935.db2.gz BDXWOHBRZVGPDX-HLIUYOAVSA-N 1 0 247.382 3.379 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2ccc(C)c(C)c2)C1 ZINC000713983437 712476124 /nfs/dbraw/zinc/47/61/24/712476124.db2.gz BDXWOHBRZVGPDX-VQCLRJIVSA-N 1 0 247.382 3.379 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2cc(C)cc(C)c2)C1 ZINC000713983513 712475921 /nfs/dbraw/zinc/47/59/21/712475921.db2.gz CVHXMZCNHBFFMD-HLIUYOAVSA-N 1 0 247.382 3.379 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2cc(C)cc(C)c2)C1 ZINC000713983514 712476191 /nfs/dbraw/zinc/47/61/91/712476191.db2.gz CVHXMZCNHBFFMD-VQCLRJIVSA-N 1 0 247.382 3.379 10 0 BGAERO CC[C@H](Cc1ccccc1)[NH2+]C1CC(COC)C1 ZINC000713983925 712475963 /nfs/dbraw/zinc/47/59/63/712475963.db2.gz HNLIYWDRHLAXTK-HWOWSKLDSA-N 1 0 247.382 3.022 10 0 BGAERO CC[C@@H](Cc1ccccc1)[NH2+]C1CC(COC)C1 ZINC000713983926 712475878 /nfs/dbraw/zinc/47/58/78/712475878.db2.gz HNLIYWDRHLAXTK-PCKAHOCUSA-N 1 0 247.382 3.022 10 0 BGAERO COCC1CC([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC000713983937 712476087 /nfs/dbraw/zinc/47/60/87/712476087.db2.gz HXNBBGZGSWPETF-UHFFFAOYSA-N 1 0 247.382 3.126 10 0 BGAERO CC[C@@H]([NH2+]C1CC(COC)C1)c1cccc(C)c1 ZINC000713983975 712476094 /nfs/dbraw/zinc/47/60/94/712476094.db2.gz IWNRXYSVKCROTQ-AVVWSFFYSA-N 1 0 247.382 3.461 10 0 BGAERO CC[C@H]([NH2+]C1CC(COC)C1)c1cccc(C)c1 ZINC000713983977 712476234 /nfs/dbraw/zinc/47/62/34/712476234.db2.gz IWNRXYSVKCROTQ-BCLQGDPASA-N 1 0 247.382 3.461 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2ccc(C)cc2C)C1 ZINC000713984656 712476016 /nfs/dbraw/zinc/47/60/16/712476016.db2.gz LHQVUVSHIYOKAM-NFOMZHRRSA-N 1 0 247.382 3.379 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2ccc(C)cc2C)C1 ZINC000713984657 712476139 /nfs/dbraw/zinc/47/61/39/712476139.db2.gz LHQVUVSHIYOKAM-WLYUNCDWSA-N 1 0 247.382 3.379 10 0 BGAERO COCC1CC([NH2+][C@H](C)CCc2ccccc2)C1 ZINC000713985466 712476357 /nfs/dbraw/zinc/47/63/57/712476357.db2.gz PJJUKGCIFBVJEZ-IUDNXUCKSA-N 1 0 247.382 3.022 10 0 BGAERO COCC1CC([NH2+][C@@H](C)CCc2ccccc2)C1 ZINC000713985469 712476645 /nfs/dbraw/zinc/47/66/45/712476645.db2.gz PJJUKGCIFBVJEZ-JEYLPNPQSA-N 1 0 247.382 3.022 10 0 BGAERO COCC1CC([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC000713986176 712476605 /nfs/dbraw/zinc/47/66/05/712476605.db2.gz TWRMZUUEMDRCNC-NFOMZHRRSA-N 1 0 247.382 3.379 10 0 BGAERO COCC1CC([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC000713986178 712476639 /nfs/dbraw/zinc/47/66/39/712476639.db2.gz TWRMZUUEMDRCNC-WLYUNCDWSA-N 1 0 247.382 3.379 10 0 BGAERO CCc1ccc([C@@H](C)[NH2+]C2CC(COC)C2)cc1 ZINC000713986196 712476564 /nfs/dbraw/zinc/47/65/64/712476564.db2.gz UBSUNMLCXQWHAP-XEBKBJJBSA-N 1 0 247.382 3.325 10 0 BGAERO CCc1ccc([C@H](C)[NH2+]C2CC(COC)C2)cc1 ZINC000713986200 712476557 /nfs/dbraw/zinc/47/65/57/712476557.db2.gz UBSUNMLCXQWHAP-YGONEPDPSA-N 1 0 247.382 3.325 10 0 BGAERO CC[C@@H]([NH2+]C1CC(COC)C1)c1ccc(C)cc1 ZINC000713986206 712476572 /nfs/dbraw/zinc/47/65/72/712476572.db2.gz ULTDWOCXZJYJRK-AVVWSFFYSA-N 1 0 247.382 3.461 10 0 BGAERO CC[C@H]([NH2+]C1CC(COC)C1)c1ccc(C)cc1 ZINC000713986208 712476505 /nfs/dbraw/zinc/47/65/05/712476505.db2.gz ULTDWOCXZJYJRK-BCLQGDPASA-N 1 0 247.382 3.461 10 0 BGAERO COCC1CC([NH2+]CC[C@H](C)c2ccccc2)C1 ZINC000713987008 712476477 /nfs/dbraw/zinc/47/64/77/712476477.db2.gz YTHYRMXOFRPUKM-HLIUYOAVSA-N 1 0 247.382 3.195 10 0 BGAERO COCC1CC([NH2+]CC[C@@H](C)c2ccccc2)C1 ZINC000713987231 712476403 /nfs/dbraw/zinc/47/64/03/712476403.db2.gz YTHYRMXOFRPUKM-VQCLRJIVSA-N 1 0 247.382 3.195 10 0 BGAERO COCC1CC([NH2+]Cc2cc(C)c(C)cc2C)C1 ZINC000713987268 712476651 /nfs/dbraw/zinc/47/66/51/712476651.db2.gz ZAYVZHSOQQOAIS-UHFFFAOYSA-N 1 0 247.382 3.126 10 0 BGAERO COCC1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC000713987376 712476347 /nfs/dbraw/zinc/47/63/47/712476347.db2.gz ZDNSZKIQAHQKIF-UHFFFAOYSA-N 1 0 247.382 3.325 10 0 BGAERO COCC1CC([NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000713987393 712476582 /nfs/dbraw/zinc/47/65/82/712476582.db2.gz ZEBCWKOUMBQUOX-AVVWSFFYSA-N 1 0 247.382 3.398 10 0 BGAERO COCC1CC([NH2+][C@H](c2ccccc2)C(C)C)C1 ZINC000713987400 712476594 /nfs/dbraw/zinc/47/65/94/712476594.db2.gz ZEBCWKOUMBQUOX-BCLQGDPASA-N 1 0 247.382 3.398 10 0 BGAERO Cc1cc(C[NH3+])ccc1-c1cnn(C(C)(C)C)c1 ZINC000714303577 712481691 /nfs/dbraw/zinc/48/16/91/712481691.db2.gz GZIYXZCFVQRSLC-UHFFFAOYSA-N 1 0 243.354 3.072 10 0 BGAERO Cc1ccc(C[NH3+])cc1-c1cnn(C(C)(C)C)c1 ZINC000714304395 712481852 /nfs/dbraw/zinc/48/18/52/712481852.db2.gz KLNJURDDNZKGBG-UHFFFAOYSA-N 1 0 243.354 3.072 10 0 BGAERO Cc1cc(-c2cnn(C(C)(C)C)c2)ccc1C[NH3+] ZINC000714318330 712481776 /nfs/dbraw/zinc/48/17/76/712481776.db2.gz OELAAFNOLFPZRV-UHFFFAOYSA-N 1 0 243.354 3.072 10 0 BGAERO CC(C)C1([NH2+]C[C@H]2CCCC(C)(C)O2)CC1 ZINC000714344674 712483130 /nfs/dbraw/zinc/48/31/30/712483130.db2.gz ODVKKBHJWHQRFT-GFCCVEGCSA-N 1 0 225.376 3.112 10 0 BGAERO CC(C)C1([NH2+]C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000714344676 712483585 /nfs/dbraw/zinc/48/35/85/712483585.db2.gz ODVKKBHJWHQRFT-LBPRGKRZSA-N 1 0 225.376 3.112 10 0 BGAERO COC[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000714446770 712489711 /nfs/dbraw/zinc/48/97/11/712489711.db2.gz BBZUGSFFQXDQCO-MQYQWHSLSA-N 1 0 239.403 3.216 10 0 BGAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000714446771 712489747 /nfs/dbraw/zinc/48/97/47/712489747.db2.gz BBZUGSFFQXDQCO-YIYPIFLZSA-N 1 0 239.403 3.216 10 0 BGAERO COC[C@H]1C[C@@H]([NH2+][C@@H]2CCCCCC2(C)C)C1 ZINC000714479580 712491960 /nfs/dbraw/zinc/49/19/60/712491960.db2.gz ZAGDLNWWLPKEGE-HZSPNIEDSA-N 1 0 239.403 3.360 10 0 BGAERO COC[C@H]1C[C@@H]([NH2+][C@H]2CCCCCC2(C)C)C1 ZINC000714479583 712491616 /nfs/dbraw/zinc/49/16/16/712491616.db2.gz ZAGDLNWWLPKEGE-MJBXVCDLSA-N 1 0 239.403 3.360 10 0 BGAERO Cc1nc([C@@H](C)[NH3+])sc1Cc1ccccc1 ZINC000714543510 712494112 /nfs/dbraw/zinc/49/41/12/712494112.db2.gz KTYADAWGSNWLFV-SECBINFHSA-N 1 0 232.352 3.062 10 0 BGAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000714615159 712488558 /nfs/dbraw/zinc/48/85/58/712488558.db2.gz VJLSEWXOUWZULT-AAVRWANBSA-N 1 0 239.403 3.216 10 0 BGAERO CO[C@H]1C[C@H](C[NH2+][C@H]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000714615164 712488935 /nfs/dbraw/zinc/48/89/35/712488935.db2.gz VJLSEWXOUWZULT-YIYPIFLZSA-N 1 0 239.403 3.216 10 0 BGAERO CO[C@H]1C[C@H](C[NH2+][C@H]2CCCCCC2(C)C)C1 ZINC000714751438 712497257 /nfs/dbraw/zinc/49/72/57/712497257.db2.gz KHDPQXDPFXQUSK-IHRRRGAJSA-N 1 0 239.403 3.360 10 0 BGAERO CO[C@H]1C[C@H](C[NH2+][C@@H]2CCCCCC2(C)C)C1 ZINC000714751440 712497271 /nfs/dbraw/zinc/49/72/71/712497271.db2.gz KHDPQXDPFXQUSK-MGPQQGTHSA-N 1 0 239.403 3.360 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CC[C@@H]2C[C@H]2C2CC2)o1 ZINC000714796076 712498204 /nfs/dbraw/zinc/49/82/04/712498204.db2.gz BJBNXXUNCRDPMU-UHTWSYAYSA-N 1 0 234.343 3.070 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CC[C@@H]2C[C@H]2C2CC2)o1 ZINC000714930419 712500615 /nfs/dbraw/zinc/50/06/15/712500615.db2.gz BJBNXXUNCRDPMU-RTXFEEFZSA-N 1 0 234.343 3.070 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]CCOC2CC2)c(C)c1 ZINC000715026588 712504161 /nfs/dbraw/zinc/50/41/61/712504161.db2.gz BYLWYORVPZLKLW-CYBMUJFWSA-N 1 0 233.355 3.133 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]CCOC2CC2)c(C)c1 ZINC000715026590 712503841 /nfs/dbraw/zinc/50/38/41/712503841.db2.gz BYLWYORVPZLKLW-ZDUSSCGKSA-N 1 0 233.355 3.133 10 0 BGAERO Cc1ccc([C@@H](C)[NH2+]CCOC2CC2)cc1C ZINC000715027945 712504486 /nfs/dbraw/zinc/50/44/86/712504486.db2.gz UDUQTQNMWBFABC-CYBMUJFWSA-N 1 0 233.355 3.133 10 0 BGAERO Cc1ccc([C@H](C)[NH2+]CCOC2CC2)cc1C ZINC000715027947 712504592 /nfs/dbraw/zinc/50/45/92/712504592.db2.gz UDUQTQNMWBFABC-ZDUSSCGKSA-N 1 0 233.355 3.133 10 0 BGAERO c1ccc(CC[NH2+]CC[C@@H]2CCCS2)cc1 ZINC000715843805 712532842 /nfs/dbraw/zinc/53/28/42/712532842.db2.gz YAFOATIKLLCZJG-AWEZNQCLSA-N 1 0 235.396 3.104 10 0 BGAERO c1ccc(CC[NH2+]CC[C@H]2CCCS2)cc1 ZINC000715843807 712533021 /nfs/dbraw/zinc/53/30/21/712533021.db2.gz YAFOATIKLLCZJG-CQSZACIVSA-N 1 0 235.396 3.104 10 0 BGAERO CC[C@@H]([NH2+][C@H](C)c1ccns1)C(C)C ZINC000715946662 712545207 /nfs/dbraw/zinc/54/52/07/712545207.db2.gz YXXSZISSPVLZQM-NXEZZACHSA-N 1 0 212.362 3.228 10 0 BGAERO CC[C@H]([NH2+][C@@H](C)c1ccns1)C(C)C ZINC000715946664 712545173 /nfs/dbraw/zinc/54/51/73/712545173.db2.gz YXXSZISSPVLZQM-UWVGGRQHSA-N 1 0 212.362 3.228 10 0 BGAERO CC[C@@H]([NH2+][C@@H](C)c1ccns1)C(C)C ZINC000715946665 712545053 /nfs/dbraw/zinc/54/50/53/712545053.db2.gz YXXSZISSPVLZQM-VHSXEESVSA-N 1 0 212.362 3.228 10 0 BGAERO CC[C@H]([NH2+][C@H](C)c1ccns1)C(C)C ZINC000715946667 712545163 /nfs/dbraw/zinc/54/51/63/712545163.db2.gz YXXSZISSPVLZQM-ZJUUUORDSA-N 1 0 212.362 3.228 10 0 BGAERO CC(C)C1([NH2+]C[C@H]2CCC3(CCC3)CO2)CC1 ZINC000716260023 712553384 /nfs/dbraw/zinc/55/33/84/712553384.db2.gz LOHMJJXYPFOCQD-CYBMUJFWSA-N 1 0 237.387 3.114 10 0 BGAERO CC(C)C1([NH2+]C[C@@H]2CCC3(CCC3)CO2)CC1 ZINC000716260024 712553283 /nfs/dbraw/zinc/55/32/83/712553283.db2.gz LOHMJJXYPFOCQD-ZDUSSCGKSA-N 1 0 237.387 3.114 10 0 BGAERO Cc1n[nH]c(C[NH2+][C@@H](C)c2ccccc2C)c1C ZINC000716439076 712560473 /nfs/dbraw/zinc/56/04/73/712560473.db2.gz FSUSYTPZTWDBDP-ZDUSSCGKSA-N 1 0 243.354 3.186 10 0 BGAERO Cc1n[nH]c(C[NH2+][C@H](C)c2cccc(C)c2)c1C ZINC000716440934 712561113 /nfs/dbraw/zinc/56/11/13/712561113.db2.gz PSLSSGXSIXEVAH-CYBMUJFWSA-N 1 0 243.354 3.186 10 0 BGAERO Cc1n[nH]c(C[NH2+][C@@H](C)c2cccc(C)c2)c1C ZINC000716440935 712561107 /nfs/dbraw/zinc/56/11/07/712561107.db2.gz PSLSSGXSIXEVAH-ZDUSSCGKSA-N 1 0 243.354 3.186 10 0 BGAERO CCC1CCC([NH2+]Cc2[nH]nc(C)c2C)CC1 ZINC000716459334 712562604 /nfs/dbraw/zinc/56/26/04/712562604.db2.gz MCFJDVSPAFMEAW-UHFFFAOYSA-N 1 0 235.375 3.085 10 0 BGAERO Nc1cc[nH+]cc1-c1ccc(C2CC2)s1 ZINC000716591340 712564681 /nfs/dbraw/zinc/56/46/81/712564681.db2.gz XXWSYECVLPQVFG-UHFFFAOYSA-N 1 0 216.309 3.100 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@H]1C[C@H]2CCC[C@H]2O1 ZINC000717883620 712731182 /nfs/dbraw/zinc/73/11/82/712731182.db2.gz JMLNIHUSTPOPDO-BPLDGKMQSA-N 1 0 249.398 3.256 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000717883621 712731518 /nfs/dbraw/zinc/73/15/18/712731518.db2.gz JMLNIHUSTPOPDO-SNPRPXQTSA-N 1 0 249.398 3.256 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000717883622 712731486 /nfs/dbraw/zinc/73/14/86/712731486.db2.gz JMLNIHUSTPOPDO-VHDGCEQUSA-N 1 0 249.398 3.256 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@H]1C[C@H]2CCC[C@@H]2O1 ZINC000717883623 712731392 /nfs/dbraw/zinc/73/13/92/712731392.db2.gz JMLNIHUSTPOPDO-YUELXQCFSA-N 1 0 249.398 3.256 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@@H]1CCC2(CCC2)O1 ZINC000717885376 712731298 /nfs/dbraw/zinc/73/12/98/712731298.db2.gz QJYUXZSFNKJWJY-AWEZNQCLSA-N 1 0 249.398 3.401 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@H]1CCC2(CCC2)O1 ZINC000717885377 712731493 /nfs/dbraw/zinc/73/14/93/712731493.db2.gz QJYUXZSFNKJWJY-CQSZACIVSA-N 1 0 249.398 3.401 10 0 BGAERO c1ccc2c(c1)C[C@@H]2C[NH2+]C1(C2CC2)CCC1 ZINC000717886066 712731179 /nfs/dbraw/zinc/73/11/79/712731179.db2.gz VUVLVKOJNIYMHL-CYBMUJFWSA-N 1 0 227.351 3.249 10 0 BGAERO c1ccc2c(c1)C[C@H]2C[NH2+]C1(C2CC2)CCC1 ZINC000717886069 712731568 /nfs/dbraw/zinc/73/15/68/712731568.db2.gz VUVLVKOJNIYMHL-ZDUSSCGKSA-N 1 0 227.351 3.249 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@H]1CC[C@@H](C2CC2)O1 ZINC000717891933 712731945 /nfs/dbraw/zinc/73/19/45/712731945.db2.gz CWHBERZKTLXQDO-CABCVRRESA-N 1 0 249.398 3.256 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@@H]1CC[C@@H](C2CC2)O1 ZINC000717891935 712731896 /nfs/dbraw/zinc/73/18/96/712731896.db2.gz CWHBERZKTLXQDO-GJZGRUSLSA-N 1 0 249.398 3.256 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@H]1CC[C@H](C2CC2)O1 ZINC000717891937 712731694 /nfs/dbraw/zinc/73/16/94/712731694.db2.gz CWHBERZKTLXQDO-HUUCEWRRSA-N 1 0 249.398 3.256 10 0 BGAERO C([NH2+]C1(C2CCC2)CCC1)[C@@H]1CC[C@H](C2CC2)O1 ZINC000717891941 712731997 /nfs/dbraw/zinc/73/19/97/712731997.db2.gz CWHBERZKTLXQDO-LSDHHAIUSA-N 1 0 249.398 3.256 10 0 BGAERO Cc1coc(C[NH2+][C@H]2CCc3ccccc32)c1 ZINC000718097052 712742702 /nfs/dbraw/zinc/74/27/02/712742702.db2.gz JYHOMGAVOAXQPV-HNNXBMFYSA-N 1 0 227.307 3.365 10 0 BGAERO Clc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)s1 ZINC000718176411 712751473 /nfs/dbraw/zinc/75/14/73/712751473.db2.gz PYUSIOZVJNFSME-FXBDTBDDSA-N 1 0 242.775 3.075 10 0 BGAERO CC[C@H]([NH2+]Cc1cnc(Cl)s1)[C@H]1C[C@@H]1C ZINC000718208070 712754110 /nfs/dbraw/zinc/75/41/10/712754110.db2.gz NJZWVTDVGDKNIN-HGNGGELXSA-N 1 0 244.791 3.321 10 0 BGAERO CC[C@H]([NH2+]Cc1cnc(Cl)s1)[C@H]1C[C@H]1C ZINC000718208071 712753892 /nfs/dbraw/zinc/75/38/92/712753892.db2.gz NJZWVTDVGDKNIN-JEZHCXPESA-N 1 0 244.791 3.321 10 0 BGAERO CC[C@H]([NH2+]Cc1cnc(Cl)s1)[C@@H]1C[C@H]1C ZINC000718208276 712753868 /nfs/dbraw/zinc/75/38/68/712753868.db2.gz NJZWVTDVGDKNIN-QNSHHTMESA-N 1 0 244.791 3.321 10 0 BGAERO CC[C@H]([NH2+]Cc1cnc(Cl)s1)[C@@H]1C[C@@H]1C ZINC000718208277 712753987 /nfs/dbraw/zinc/75/39/87/712753987.db2.gz NJZWVTDVGDKNIN-SFGNSQDASA-N 1 0 244.791 3.321 10 0 BGAERO Cc1cnc([C@@H](C)[NH2+]CCCC(C)(F)F)o1 ZINC000718335569 712755354 /nfs/dbraw/zinc/75/53/54/712755354.db2.gz BDWQAOFSQWJLNE-SECBINFHSA-N 1 0 232.274 3.069 10 0 BGAERO Cc1cnc([C@H](C)[NH2+]CCCC(C)(F)F)o1 ZINC000718335570 712755307 /nfs/dbraw/zinc/75/53/07/712755307.db2.gz BDWQAOFSQWJLNE-VIFPVBQESA-N 1 0 232.274 3.069 10 0 BGAERO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)CC1 ZINC000718764505 712781775 /nfs/dbraw/zinc/78/17/75/712781775.db2.gz VGFTTYSNUMGJPM-VQJWOFKYSA-N 1 0 237.387 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H](OC)CC1 ZINC000718845808 712785847 /nfs/dbraw/zinc/78/58/47/712785847.db2.gz XEUMETWSKROSMR-MQYQWHSLSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](OC)CC1 ZINC000718845811 712786162 /nfs/dbraw/zinc/78/61/62/712786162.db2.gz XEUMETWSKROSMR-RFGFWPKPSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H](OC)CC1 ZINC000718845812 712785981 /nfs/dbraw/zinc/78/59/81/712785981.db2.gz XEUMETWSKROSMR-RQJABVFESA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](OC)CC1 ZINC000718845813 712786079 /nfs/dbraw/zinc/78/60/79/712786079.db2.gz XEUMETWSKROSMR-SYQHCUMBSA-N 1 0 225.376 3.112 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@H](OC)CC1)C(C)C ZINC000718857099 712786445 /nfs/dbraw/zinc/78/64/45/712786445.db2.gz FYCPORAEZCFBDB-IHRRRGAJSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@@H](OC)CC1)C(C)C ZINC000718857102 712786559 /nfs/dbraw/zinc/78/65/59/712786559.db2.gz FYCPORAEZCFBDB-MCIONIFRSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H]([NH2+][C@H]1CCC[C@@H](OC)CC1)C(C)C ZINC000718857105 712786470 /nfs/dbraw/zinc/78/64/70/712786470.db2.gz FYCPORAEZCFBDB-MJBXVCDLSA-N 1 0 227.392 3.358 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CCC[C@H](OC)CC1)C(C)C ZINC000718857107 712786478 /nfs/dbraw/zinc/78/64/78/712786478.db2.gz FYCPORAEZCFBDB-RDBSUJKOSA-N 1 0 227.392 3.358 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000718950884 712789754 /nfs/dbraw/zinc/78/97/54/712789754.db2.gz UJXCGGKAMCQKPA-CHWSQXEVSA-N 1 0 247.386 3.276 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+][C@@H]1CCn2ccnc21 ZINC000718950888 712789806 /nfs/dbraw/zinc/78/98/06/712789806.db2.gz UJXCGGKAMCQKPA-OLZOCXBDSA-N 1 0 247.386 3.276 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000718950890 712790017 /nfs/dbraw/zinc/79/00/17/712790017.db2.gz UJXCGGKAMCQKPA-QWHCGFSZSA-N 1 0 247.386 3.276 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+][C@H]1CCn2ccnc21 ZINC000718950893 712789999 /nfs/dbraw/zinc/78/99/99/712789999.db2.gz UJXCGGKAMCQKPA-STQMWFEESA-N 1 0 247.386 3.276 10 0 BGAERO CCC1(C[NH2+][C@@H]2CCCCCC2(C)C)COC1 ZINC000719193146 712799393 /nfs/dbraw/zinc/79/93/93/712799393.db2.gz VRJZQWPNCBQKHF-CYBMUJFWSA-N 1 0 239.403 3.362 10 0 BGAERO CCC1(C[NH2+][C@H]2CCCCCC2(C)C)COC1 ZINC000719193151 712799243 /nfs/dbraw/zinc/79/92/43/712799243.db2.gz VRJZQWPNCBQKHF-ZDUSSCGKSA-N 1 0 239.403 3.362 10 0 BGAERO COCC1CC([NH2+][C@@H]2CCCCCC2(C)C)C1 ZINC000719201154 712800475 /nfs/dbraw/zinc/80/04/75/712800475.db2.gz ZAGDLNWWLPKEGE-JXQTWKCFSA-N 1 0 239.403 3.360 10 0 BGAERO COCC1CC([NH2+][C@H]2CCCCCC2(C)C)C1 ZINC000719201155 712800305 /nfs/dbraw/zinc/80/03/05/712800305.db2.gz ZAGDLNWWLPKEGE-RUXDESIVSA-N 1 0 239.403 3.360 10 0 BGAERO CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCCCCC2(C)C)C1 ZINC000719205462 712800523 /nfs/dbraw/zinc/80/05/23/712800523.db2.gz KHDPQXDPFXQUSK-HZSPNIEDSA-N 1 0 239.403 3.360 10 0 BGAERO CO[C@H]1C[C@@H](C[NH2+][C@H]2CCCCCC2(C)C)C1 ZINC000719205463 712800348 /nfs/dbraw/zinc/80/03/48/712800348.db2.gz KHDPQXDPFXQUSK-MJBXVCDLSA-N 1 0 239.403 3.360 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000719208952 712800362 /nfs/dbraw/zinc/80/03/62/712800362.db2.gz VRIHWPYMAROSTF-CYBMUJFWSA-N 1 0 248.370 3.236 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000719208953 712800388 /nfs/dbraw/zinc/80/03/88/712800388.db2.gz VRIHWPYMAROSTF-ZDUSSCGKSA-N 1 0 248.370 3.236 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000719218966 712800509 /nfs/dbraw/zinc/80/05/09/712800509.db2.gz IIPCMWLHGYPNKX-CYBMUJFWSA-N 1 0 239.403 3.098 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000719218971 712800021 /nfs/dbraw/zinc/80/00/21/712800021.db2.gz IIPCMWLHGYPNKX-ZDUSSCGKSA-N 1 0 239.403 3.098 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]Cc1ccon1 ZINC000719221800 712800025 /nfs/dbraw/zinc/80/00/25/712800025.db2.gz NJIDEOFWYRSDAN-GFCCVEGCSA-N 1 0 222.332 3.123 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]Cc1ccon1 ZINC000719221802 712800378 /nfs/dbraw/zinc/80/03/78/712800378.db2.gz NJIDEOFWYRSDAN-LBPRGKRZSA-N 1 0 222.332 3.123 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]C1CCOCC1 ZINC000719222696 712800884 /nfs/dbraw/zinc/80/08/84/712800884.db2.gz CREUSDIWLQIPAK-CYBMUJFWSA-N 1 0 225.376 3.114 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]C1CCOCC1 ZINC000719222701 712800580 /nfs/dbraw/zinc/80/05/80/712800580.db2.gz CREUSDIWLQIPAK-ZDUSSCGKSA-N 1 0 225.376 3.114 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000719224134 712800818 /nfs/dbraw/zinc/80/08/18/712800818.db2.gz SSPXJSQQKYUNCO-KBPBESRZSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000719224135 712800688 /nfs/dbraw/zinc/80/06/88/712800688.db2.gz SSPXJSQQKYUNCO-KGLIPLIRSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000719224136 712800840 /nfs/dbraw/zinc/80/08/40/712800840.db2.gz SSPXJSQQKYUNCO-UONOGXRCSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000719224137 712800872 /nfs/dbraw/zinc/80/08/72/712800872.db2.gz SSPXJSQQKYUNCO-ZIAGYGMSSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CC1=CCOCC1 ZINC000719239622 712800589 /nfs/dbraw/zinc/80/05/89/712800589.db2.gz QIPDVOXZXIECNC-AWEZNQCLSA-N 1 0 237.387 3.282 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CC1=CCOCC1 ZINC000719239625 712800787 /nfs/dbraw/zinc/80/07/87/712800787.db2.gz QIPDVOXZXIECNC-CQSZACIVSA-N 1 0 237.387 3.282 10 0 BGAERO C[C@@H](C[NH2+][C@@H]1CCCCCC1(C)C)C[C@H](C)O ZINC000719254401 712801661 /nfs/dbraw/zinc/80/16/61/712801661.db2.gz YNJMEAGPABNCOE-HZSPNIEDSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCCCCC1(C)C ZINC000719254402 712801666 /nfs/dbraw/zinc/80/16/66/712801666.db2.gz YNJMEAGPABNCOE-IHRRRGAJSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719254403 712801382 /nfs/dbraw/zinc/80/13/82/712801382.db2.gz YNJMEAGPABNCOE-MELADBBJSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@@H](C[NH2+][C@H]1CCCCCC1(C)C)C[C@H](C)O ZINC000719254404 712801914 /nfs/dbraw/zinc/80/19/14/712801914.db2.gz YNJMEAGPABNCOE-RDBSUJKOSA-N 1 0 241.419 3.342 10 0 BGAERO C[C@H](CCCO)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719254779 712802112 /nfs/dbraw/zinc/80/21/12/712802112.db2.gz OTKUDPFJTAMGTL-CHWSQXEVSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@H](CCCO)[NH2+][C@H]1CCCCCC1(C)C ZINC000719254780 712802144 /nfs/dbraw/zinc/80/21/44/712802144.db2.gz OTKUDPFJTAMGTL-OLZOCXBDSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@@H](CCCO)[NH2+][C@@H]1CCCCCC1(C)C ZINC000719254781 712801998 /nfs/dbraw/zinc/80/19/98/712801998.db2.gz OTKUDPFJTAMGTL-QWHCGFSZSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@@H](CCCO)[NH2+][C@H]1CCCCCC1(C)C ZINC000719254782 712802086 /nfs/dbraw/zinc/80/20/86/712802086.db2.gz OTKUDPFJTAMGTL-STQMWFEESA-N 1 0 227.392 3.096 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]Cc1cocn1 ZINC000719254927 712801928 /nfs/dbraw/zinc/80/19/28/712801928.db2.gz QHCCTWQQRFYEKF-GFCCVEGCSA-N 1 0 222.332 3.123 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]Cc1cocn1 ZINC000719254928 712802147 /nfs/dbraw/zinc/80/21/47/712802147.db2.gz QHCCTWQQRFYEKF-LBPRGKRZSA-N 1 0 222.332 3.123 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CCCCCO ZINC000719258140 712802176 /nfs/dbraw/zinc/80/21/76/712802176.db2.gz CUJVKTLCGFVYIK-CYBMUJFWSA-N 1 0 227.392 3.098 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CCCCCO ZINC000719258142 712802248 /nfs/dbraw/zinc/80/22/48/712802248.db2.gz CUJVKTLCGFVYIK-ZDUSSCGKSA-N 1 0 227.392 3.098 10 0 BGAERO C[C@@H](O)CCC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719259053 712802127 /nfs/dbraw/zinc/80/21/27/712802127.db2.gz HUVWARKTKVHROK-CHWSQXEVSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@@H](O)CCC[NH2+][C@H]1CCCCCC1(C)C ZINC000719259054 712802062 /nfs/dbraw/zinc/80/20/62/712802062.db2.gz HUVWARKTKVHROK-OLZOCXBDSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@H](O)CCC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719259055 712801911 /nfs/dbraw/zinc/80/19/11/712801911.db2.gz HUVWARKTKVHROK-QWHCGFSZSA-N 1 0 227.392 3.096 10 0 BGAERO C[C@H](O)CCC[NH2+][C@H]1CCCCCC1(C)C ZINC000719259056 712801954 /nfs/dbraw/zinc/80/19/54/712801954.db2.gz HUVWARKTKVHROK-STQMWFEESA-N 1 0 227.392 3.096 10 0 BGAERO Cc1nccn1CC[NH2+][C@H]1CCCCCC1(C)C ZINC000719261056 712802096 /nfs/dbraw/zinc/80/20/96/712802096.db2.gz OXCBFWYEVOKCKV-AWEZNQCLSA-N 1 0 249.402 3.140 10 0 BGAERO Cc1nccn1CC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719261058 712801917 /nfs/dbraw/zinc/80/19/17/712801917.db2.gz OXCBFWYEVOKCKV-CQSZACIVSA-N 1 0 249.402 3.140 10 0 BGAERO Cc1c(C[NH2+][C@H]2CCCCCC2(C)C)cnn1C ZINC000719262260 712802205 /nfs/dbraw/zinc/80/22/05/712802205.db2.gz TUTUKTTYXGBZJJ-AWEZNQCLSA-N 1 0 249.402 3.177 10 0 BGAERO Cc1c(C[NH2+][C@@H]2CCCCCC2(C)C)cnn1C ZINC000719262261 712801807 /nfs/dbraw/zinc/80/18/07/712801807.db2.gz TUTUKTTYXGBZJJ-CQSZACIVSA-N 1 0 249.402 3.177 10 0 BGAERO COCCCC[NH2+][C@@H]1CCCCCC1(C)C ZINC000719262302 712801823 /nfs/dbraw/zinc/80/18/23/712801823.db2.gz UHMMJVAODUQFFT-CYBMUJFWSA-N 1 0 227.392 3.362 10 0 BGAERO COCCCC[NH2+][C@H]1CCCCCC1(C)C ZINC000719262303 712802164 /nfs/dbraw/zinc/80/21/64/712802164.db2.gz UHMMJVAODUQFFT-ZDUSSCGKSA-N 1 0 227.392 3.362 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000719263940 712801902 /nfs/dbraw/zinc/80/19/02/712801902.db2.gz ZQOJGPPFLRGDQH-AWEZNQCLSA-N 1 0 249.402 3.222 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CCCn1ccnc1 ZINC000719263941 712802262 /nfs/dbraw/zinc/80/22/62/712802262.db2.gz ZQOJGPPFLRGDQH-CQSZACIVSA-N 1 0 249.402 3.222 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000719266367 712802593 /nfs/dbraw/zinc/80/25/93/712802593.db2.gz KTULGDNYTMONDM-IHRRRGAJSA-N 1 0 239.403 3.238 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000719266372 712802712 /nfs/dbraw/zinc/80/27/12/712802712.db2.gz KTULGDNYTMONDM-MGPQQGTHSA-N 1 0 239.403 3.238 10 0 BGAERO Cc1n[nH]cc1C[NH2+][C@@H]1CCCCCC1(C)C ZINC000719286178 712803520 /nfs/dbraw/zinc/80/35/20/712803520.db2.gz LQVAKKLCMCWEOI-CYBMUJFWSA-N 1 0 235.375 3.167 10 0 BGAERO Cc1n[nH]cc1C[NH2+][C@H]1CCCCCC1(C)C ZINC000719286180 712803659 /nfs/dbraw/zinc/80/36/59/712803659.db2.gz LQVAKKLCMCWEOI-ZDUSSCGKSA-N 1 0 235.375 3.167 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000719287357 712803479 /nfs/dbraw/zinc/80/34/79/712803479.db2.gz NPKJQMPFOBHOFS-CYBMUJFWSA-N 1 0 239.403 3.098 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000719287359 712803689 /nfs/dbraw/zinc/80/36/89/712803689.db2.gz NPKJQMPFOBHOFS-ZDUSSCGKSA-N 1 0 239.403 3.098 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000719290055 712803657 /nfs/dbraw/zinc/80/36/57/712803657.db2.gz GSGNGHMAFDLCGP-KBPBESRZSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000719290056 712803680 /nfs/dbraw/zinc/80/36/80/712803680.db2.gz GSGNGHMAFDLCGP-KGLIPLIRSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000719290057 712803596 /nfs/dbraw/zinc/80/35/96/712803596.db2.gz GSGNGHMAFDLCGP-UONOGXRCSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000719290058 712803498 /nfs/dbraw/zinc/80/34/98/712803498.db2.gz GSGNGHMAFDLCGP-ZIAGYGMSSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CC1CCOCC1 ZINC000719290072 712803708 /nfs/dbraw/zinc/80/37/08/712803708.db2.gz HAZCMYJWTWZBQT-AWEZNQCLSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CC1CCOCC1 ZINC000719290074 712803691 /nfs/dbraw/zinc/80/36/91/712803691.db2.gz HAZCMYJWTWZBQT-CQSZACIVSA-N 1 0 239.403 3.362 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000719290122 712803673 /nfs/dbraw/zinc/80/36/73/712803673.db2.gz HSOOVOVMFRVFLT-IHRRRGAJSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000719290123 712803581 /nfs/dbraw/zinc/80/35/81/712803581.db2.gz HSOOVOVMFRVFLT-MCIONIFRSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000719290124 712803687 /nfs/dbraw/zinc/80/36/87/712803687.db2.gz HSOOVOVMFRVFLT-MJBXVCDLSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000719290125 712803774 /nfs/dbraw/zinc/80/37/74/712803774.db2.gz HSOOVOVMFRVFLT-RDBSUJKOSA-N 1 0 239.403 3.096 10 0 BGAERO Cc1cc(C[NH2+][C@@H]2CCCCCC2(C)C)on1 ZINC000719290615 712803615 /nfs/dbraw/zinc/80/36/15/712803615.db2.gz XJOQAEVPAJJETQ-CYBMUJFWSA-N 1 0 236.359 3.432 10 0 BGAERO Cc1cc(C[NH2+][C@H]2CCCCCC2(C)C)on1 ZINC000719290618 712803833 /nfs/dbraw/zinc/80/38/33/712803833.db2.gz XJOQAEVPAJJETQ-ZDUSSCGKSA-N 1 0 236.359 3.432 10 0 BGAERO CN1CCC([NH2+][C@H]2CCCCCC2(C)C)CC1 ZINC000719294295 712803632 /nfs/dbraw/zinc/80/36/32/712803632.db2.gz TYVKFEZMEQRMEB-AWEZNQCLSA-N 1 0 238.419 3.029 10 0 BGAERO CN1CCC([NH2+][C@@H]2CCCCCC2(C)C)CC1 ZINC000719294298 712803622 /nfs/dbraw/zinc/80/36/22/712803622.db2.gz TYVKFEZMEQRMEB-CQSZACIVSA-N 1 0 238.419 3.029 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CC1=CCCOC1 ZINC000719305671 712804204 /nfs/dbraw/zinc/80/42/04/712804204.db2.gz ADFNGSPCFOTPNK-AWEZNQCLSA-N 1 0 237.387 3.282 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CC1=CCCOC1 ZINC000719305673 712804013 /nfs/dbraw/zinc/80/40/13/712804013.db2.gz ADFNGSPCFOTPNK-CQSZACIVSA-N 1 0 237.387 3.282 10 0 BGAERO CC1(C)CCCCC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000719305982 712804242 /nfs/dbraw/zinc/80/42/42/712804242.db2.gz BXTZBISMYJYRIG-JXQTWKCFSA-N 1 0 239.403 3.096 10 0 BGAERO CC1(C)CCCCC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000719305983 712804261 /nfs/dbraw/zinc/80/42/61/712804261.db2.gz BXTZBISMYJYRIG-RUXDESIVSA-N 1 0 239.403 3.096 10 0 BGAERO Cc1cc(C)c([C@@H]2[NH2+]CCc3ccoc32)s1 ZINC000719496896 537930814 /nfs/dbraw/zinc/93/08/14/537930814.db2.gz JZEZWBACTGHUEG-LLVKDONJSA-N 1 0 233.336 3.193 10 0 BGAERO Cc1cc(C)c([C@H]2[NH2+]CCc3ccoc32)s1 ZINC000719496900 537930954 /nfs/dbraw/zinc/93/09/54/537930954.db2.gz JZEZWBACTGHUEG-NSHDSACASA-N 1 0 233.336 3.193 10 0 BGAERO Cc1cc(C)c([C@@H]2[NH2+]CCc3occc32)s1 ZINC000719497907 537931259 /nfs/dbraw/zinc/93/12/59/537931259.db2.gz MBRHGDZMDYIZOK-GFCCVEGCSA-N 1 0 233.336 3.193 10 0 BGAERO Cc1cc(C)c([C@H]2[NH2+]CCc3occc32)s1 ZINC000719497911 537931951 /nfs/dbraw/zinc/93/19/51/537931951.db2.gz MBRHGDZMDYIZOK-LBPRGKRZSA-N 1 0 233.336 3.193 10 0 BGAERO C[C@H](CCC1CC1)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000720140493 712827545 /nfs/dbraw/zinc/82/75/45/712827545.db2.gz GJIXDNHBJOGNGO-BPLDGKMQSA-N 1 0 237.387 3.114 10 0 BGAERO CCC(C)(C)[C@H](C)[NH2+]C[C@]12CCC[C@H]1OCC2 ZINC000720156874 712828386 /nfs/dbraw/zinc/82/83/86/712828386.db2.gz QXVIVOOHSBOCOO-GZBFAFLISA-N 1 0 239.403 3.360 10 0 BGAERO c1cc2c(o1)[C@@H](CCCC1CC1)[NH2+]CC2 ZINC000720162869 537851744 /nfs/dbraw/zinc/85/17/44/537851744.db2.gz LWFZPVJMFNZKPC-GFCCVEGCSA-N 1 0 205.301 3.047 10 0 BGAERO c1cc2c(o1)[C@H](CCCC1CC1)[NH2+]CC2 ZINC000720162874 537852248 /nfs/dbraw/zinc/85/22/48/537852248.db2.gz LWFZPVJMFNZKPC-LBPRGKRZSA-N 1 0 205.301 3.047 10 0 BGAERO c1cc2c(o1)CC[NH2+][C@@H]2CCCC1CC1 ZINC000720165717 537851949 /nfs/dbraw/zinc/85/19/49/537851949.db2.gz XJQAHUBNNFOCSX-GFCCVEGCSA-N 1 0 205.301 3.047 10 0 BGAERO c1cc2c(o1)CC[NH2+][C@H]2CCCC1CC1 ZINC000720165718 537852107 /nfs/dbraw/zinc/85/21/07/537852107.db2.gz XJQAHUBNNFOCSX-LBPRGKRZSA-N 1 0 205.301 3.047 10 0 BGAERO C([NH2+][C@H]1CCCC2(CC2)C1)[C@]12CCC[C@H]1OCC2 ZINC000720172901 712828845 /nfs/dbraw/zinc/82/88/45/712828845.db2.gz CQQYURHPVSDGCS-SQWLQELKSA-N 1 0 249.398 3.258 10 0 BGAERO C[C@@H]([NH2+]C[C@]12CCC[C@H]1OCC2)C1CCCC1 ZINC000720187536 712829342 /nfs/dbraw/zinc/82/93/42/712829342.db2.gz QYLWPURQNZYUPQ-BPLDGKMQSA-N 1 0 237.387 3.114 10 0 BGAERO CC1(C[NH2+]CCc2ccccc2)CC(F)(F)C1 ZINC000720922860 712878843 /nfs/dbraw/zinc/87/88/43/712878843.db2.gz JZDXKSWGEWGYJZ-UHFFFAOYSA-N 1 0 239.309 3.254 10 0 BGAERO CC[C@H](CC1CCCCC1)[NH2+]CC1CC(O)C1 ZINC000720939556 712880769 /nfs/dbraw/zinc/88/07/69/712880769.db2.gz FZYAFEWVPGRKHG-SHARSMKWSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@@H](CC1CCCCC1)[NH2+]CC1CC(O)C1 ZINC000720939560 712880566 /nfs/dbraw/zinc/88/05/66/712880566.db2.gz FZYAFEWVPGRKHG-SLTAFYQDSA-N 1 0 239.403 3.096 10 0 BGAERO CC1([NH2+]CCc2ccccc2)CC(F)(F)C1 ZINC000720948598 712881582 /nfs/dbraw/zinc/88/15/82/712881582.db2.gz CWDKDFMNSPGRSJ-UHFFFAOYSA-N 1 0 225.282 3.007 10 0 BGAERO CC[C@H](CC1CCCCC1)[NH2+]C1CC(CO)C1 ZINC000720992586 712885673 /nfs/dbraw/zinc/88/56/73/712885673.db2.gz OWDJWPFLDGXCTH-SHARSMKWSA-N 1 0 239.403 3.096 10 0 BGAERO CC[C@@H](CC1CCCCC1)[NH2+]C1CC(CO)C1 ZINC000720992589 712885549 /nfs/dbraw/zinc/88/55/49/712885549.db2.gz OWDJWPFLDGXCTH-SLTAFYQDSA-N 1 0 239.403 3.096 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@H](OCC)C1 ZINC000721165879 712893537 /nfs/dbraw/zinc/89/35/37/712893537.db2.gz BWOXYXKPRPLLQP-MQYQWHSLSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@H](OCC)C1 ZINC000721165882 712893704 /nfs/dbraw/zinc/89/37/04/712893704.db2.gz BWOXYXKPRPLLQP-RFGFWPKPSA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@H]1CCC[C@@H](OCC)C1 ZINC000721165884 712893712 /nfs/dbraw/zinc/89/37/12/712893712.db2.gz BWOXYXKPRPLLQP-RQJABVFESA-N 1 0 225.376 3.112 10 0 BGAERO CCC[C@@H]1C[C@@H]1[NH2+][C@@H]1CCC[C@@H](OCC)C1 ZINC000721165886 712893506 /nfs/dbraw/zinc/89/35/06/712893506.db2.gz BWOXYXKPRPLLQP-SYQHCUMBSA-N 1 0 225.376 3.112 10 0 BGAERO CCO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000721229258 712899245 /nfs/dbraw/zinc/89/92/45/712899245.db2.gz OZZOHMSMLNFAOL-VQJWOFKYSA-N 1 0 237.387 3.112 10 0 BGAERO CCC1(CC)CCC[N@@H+]1C[C@H]1CCC[C@H](O)C1 ZINC000721451732 711497570 /nfs/dbraw/zinc/49/75/70/711497570.db2.gz BGVBTAFVTRQZDO-KBPBESRZSA-N 1 0 239.403 3.192 10 0 BGAERO CCC1(CC)CCC[N@@H+]1C[C@@H]1CCC[C@H](O)C1 ZINC000721451733 711497359 /nfs/dbraw/zinc/49/73/59/711497359.db2.gz BGVBTAFVTRQZDO-KGLIPLIRSA-N 1 0 239.403 3.192 10 0 BGAERO CCC1(CC)CCC[N@@H+]1C[C@H]1CCC[C@@H](O)C1 ZINC000721451734 711497331 /nfs/dbraw/zinc/49/73/31/711497331.db2.gz BGVBTAFVTRQZDO-UONOGXRCSA-N 1 0 239.403 3.192 10 0 BGAERO CCC1(CC)CCC[N@@H+]1C[C@@H]1CCC[C@@H](O)C1 ZINC000721451736 711497497 /nfs/dbraw/zinc/49/74/97/711497497.db2.gz BGVBTAFVTRQZDO-ZIAGYGMSSA-N 1 0 239.403 3.192 10 0 BGAERO c1cc2c(s1)[C@]1(CC[C@H]3CCC[C@H]31)[NH2+]CC2 ZINC000722051547 541316714 /nfs/dbraw/zinc/31/67/14/541316714.db2.gz MFMRIJBEXFZEOA-MPKXVKKWSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@]1(CC[C@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000722051548 541316419 /nfs/dbraw/zinc/31/64/19/541316419.db2.gz MFMRIJBEXFZEOA-SCDSUCTJSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@]1(CC[C@@H]3CCC[C@@H]31)[NH2+]CC2 ZINC000722051551 541316663 /nfs/dbraw/zinc/31/66/63/541316663.db2.gz MFMRIJBEXFZEOA-VHRBIJSZSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)[C@]1(CC[C@@H]3CCC[C@H]31)[NH2+]CC2 ZINC000722051554 541316519 /nfs/dbraw/zinc/31/65/19/541316519.db2.gz MFMRIJBEXFZEOA-ZKYQVNSYSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21CC[C@@H]2CCC[C@@H]21 ZINC000722069108 541316735 /nfs/dbraw/zinc/31/67/35/541316735.db2.gz YRVXPRUQBFJUQN-COPLHBTASA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21CC[C@H]2CCC[C@H]21 ZINC000722069112 541316624 /nfs/dbraw/zinc/31/66/24/541316624.db2.gz YRVXPRUQBFJUQN-JTNHKYCSSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21CC[C@@H]2CCC[C@H]21 ZINC000722069114 541316511 /nfs/dbraw/zinc/31/65/11/541316511.db2.gz YRVXPRUQBFJUQN-MISXGVKJSA-N 1 0 233.380 3.299 10 0 BGAERO c1cc2c(s1)CC[NH2+][C@@]21CC[C@H]2CCC[C@@H]21 ZINC000722069115 541316526 /nfs/dbraw/zinc/31/65/26/541316526.db2.gz YRVXPRUQBFJUQN-UHIISALHSA-N 1 0 233.380 3.299 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@@H]2C1)C(C)C ZINC000723648391 710730156 /nfs/dbraw/zinc/73/01/56/710730156.db2.gz CIBVNNQCSYGHSS-BARDWOONSA-N 1 0 239.403 3.216 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@@H]2C1)C(C)C ZINC000723648392 710730621 /nfs/dbraw/zinc/73/06/21/710730621.db2.gz CIBVNNQCSYGHSS-TUVASFSCSA-N 1 0 239.403 3.216 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CC[C@H]2COCC[C@H]2C1)C(C)C ZINC000723648394 710730163 /nfs/dbraw/zinc/73/01/63/710730163.db2.gz CIBVNNQCSYGHSS-XQLPTFJDSA-N 1 0 239.403 3.216 10 0 BGAERO CC[C@H]([NH2+][C@@H]1CC[C@@H]2COCC[C@H]2C1)C(C)C ZINC000723648395 710729860 /nfs/dbraw/zinc/72/98/60/710729860.db2.gz CIBVNNQCSYGHSS-YJNKXOJESA-N 1 0 239.403 3.216 10 0 BGAERO CC[C@@H]([NH2+][C@@H](CC)C(C)C)[C@@H]1CCCOC1 ZINC000724014363 711556525 /nfs/dbraw/zinc/55/65/25/711556525.db2.gz NJNBYRPAOVYQHD-HZSPNIEDSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+][C@@H](CC)[C@H]1CCCOC1)C(C)C ZINC000724014365 711556217 /nfs/dbraw/zinc/55/62/17/711556217.db2.gz NJNBYRPAOVYQHD-IHRRRGAJSA-N 1 0 227.392 3.216 10 0 BGAERO CC[C@H]([NH2+][C@@H](CC)[C@@H]1CCCOC1)C(C)C ZINC000724014370 711556308 /nfs/dbraw/zinc/55/63/08/711556308.db2.gz NJNBYRPAOVYQHD-RDBSUJKOSA-N 1 0 227.392 3.216 10 0 BGAERO CCC(CC)C[NH2+]Cc1ncc(C)cc1C ZINC000724024355 711556941 /nfs/dbraw/zinc/55/69/41/711556941.db2.gz PSFSAJNGARQWGI-UHFFFAOYSA-N 1 0 220.360 3.224 10 0 BGAERO Cc1cnc(C[NH2+][C@H](C)CC(C)C)c(C)c1 ZINC000724024365 711557000 /nfs/dbraw/zinc/55/70/00/711557000.db2.gz PTANIYORRCJOGB-CYBMUJFWSA-N 1 0 220.360 3.223 10 0 BGAERO Cc1cnc(C[NH2+][C@@H](C)CC(C)C)c(C)c1 ZINC000724024366 711556899 /nfs/dbraw/zinc/55/68/99/711556899.db2.gz PTANIYORRCJOGB-ZDUSSCGKSA-N 1 0 220.360 3.223 10 0 BGAERO CC[C@H](C)[C@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724024459 711556752 /nfs/dbraw/zinc/55/67/52/711556752.db2.gz RCQUZEBGWQFPDL-AAEUAGOBSA-N 1 0 220.360 3.223 10 0 BGAERO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724024460 711556874 /nfs/dbraw/zinc/55/68/74/711556874.db2.gz RCQUZEBGWQFPDL-DGCLKSJQSA-N 1 0 220.360 3.223 10 0 BGAERO CC[C@H](C)[C@@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724024461 711556905 /nfs/dbraw/zinc/55/69/05/711556905.db2.gz RCQUZEBGWQFPDL-WCQYABFASA-N 1 0 220.360 3.223 10 0 BGAERO CC[C@@H](C)[C@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724024462 711556689 /nfs/dbraw/zinc/55/66/89/711556689.db2.gz RCQUZEBGWQFPDL-YPMHNXCESA-N 1 0 220.360 3.223 10 0 BGAERO Cc1cnc(C[NH2+]Cc2cccs2)c(C)c1 ZINC000724024903 711556908 /nfs/dbraw/zinc/55/69/08/711556908.db2.gz UUAGCOASSGVWQH-UHFFFAOYSA-N 1 0 232.352 3.050 10 0 BGAERO CCC[C@@H](C)C[NH2+]Cc1ncc(C)cc1C ZINC000724026597 711556807 /nfs/dbraw/zinc/55/68/07/711556807.db2.gz YIFGFVJVOKJITM-LLVKDONJSA-N 1 0 220.360 3.224 10 0 BGAERO CCC[C@H](C)C[NH2+]Cc1ncc(C)cc1C ZINC000724026600 711557002 /nfs/dbraw/zinc/55/70/02/711557002.db2.gz YIFGFVJVOKJITM-NSHDSACASA-N 1 0 220.360 3.224 10 0 BGAERO CCC[C@@H](CC)[NH2+]Cc1ncc(C)cc1C ZINC000724026625 711557037 /nfs/dbraw/zinc/55/70/37/711557037.db2.gz YPACCEVCCMFZKJ-CYBMUJFWSA-N 1 0 220.360 3.367 10 0 BGAERO CCC[C@H](CC)[NH2+]Cc1ncc(C)cc1C ZINC000724026627 711557045 /nfs/dbraw/zinc/55/70/45/711557045.db2.gz YPACCEVCCMFZKJ-ZDUSSCGKSA-N 1 0 220.360 3.367 10 0 BGAERO CCCC[C@@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724026906 710736785 /nfs/dbraw/zinc/73/67/85/710736785.db2.gz ZSHFCBQIJNHKMB-CYBMUJFWSA-N 1 0 220.360 3.367 10 0 BGAERO CCCC[C@H](C)[NH2+]Cc1ncc(C)cc1C ZINC000724026910 710736817 /nfs/dbraw/zinc/73/68/17/710736817.db2.gz ZSHFCBQIJNHKMB-ZDUSSCGKSA-N 1 0 220.360 3.367 10 0 BGAERO Cc1cnc(C[NH2+][C@H](C)CC2CCC2)c(C)c1 ZINC000724031715 710736796 /nfs/dbraw/zinc/73/67/96/710736796.db2.gz AAIIGVRREVBWPF-CYBMUJFWSA-N 1 0 232.371 3.367 10 0 BGAERO Cc1cnc(C[NH2+][C@@H](C)CC2CCC2)c(C)c1 ZINC000724031722 710736917 /nfs/dbraw/zinc/73/69/17/710736917.db2.gz AAIIGVRREVBWPF-ZDUSSCGKSA-N 1 0 232.371 3.367 10 0 BGAERO Cc1cnc(C[NH2+][C@@H]2CCC(C)(C)C2)c(C)c1 ZINC000724032272 711557055 /nfs/dbraw/zinc/55/70/55/711557055.db2.gz CXJZVNWTONCRLG-CYBMUJFWSA-N 1 0 232.371 3.367 10 0 BGAERO Cc1cnc(C[NH2+][C@H]2CCC(C)(C)C2)c(C)c1 ZINC000724032274 711557056 /nfs/dbraw/zinc/55/70/56/711557056.db2.gz CXJZVNWTONCRLG-ZDUSSCGKSA-N 1 0 232.371 3.367 10 0 BGAERO Cc1cnc(C[NH2+][C@H](C)C2CCCC2)c(C)c1 ZINC000724034645 711557165 /nfs/dbraw/zinc/55/71/65/711557165.db2.gz RONLORYNALYHNT-CYBMUJFWSA-N 1 0 232.371 3.367 10 0 BGAERO Cc1cnc(C[NH2+][C@@H](C)C2CCCC2)c(C)c1 ZINC000724034647 711557169 /nfs/dbraw/zinc/55/71/69/711557169.db2.gz RONLORYNALYHNT-ZDUSSCGKSA-N 1 0 232.371 3.367 10 0 BGAERO Cc1cnc(C[NH2+]C2CC(C(C)C)C2)c(C)c1 ZINC000724034880 710736645 /nfs/dbraw/zinc/73/66/45/710736645.db2.gz SVXBQJLTOGHRLS-UHFFFAOYSA-N 1 0 232.371 3.223 10 0 BGAERO Cc1cnc(C[NH2+]C[C@H]2CC=CCC2)c(C)c1 ZINC000724035261 711557160 /nfs/dbraw/zinc/55/71/60/711557160.db2.gz WHGYRUDCPYOSJX-AWEZNQCLSA-N 1 0 230.355 3.144 10 0 BGAERO Cc1cnc(C[NH2+]C[C@@H]2CC=CCC2)c(C)c1 ZINC000724035264 711557163 /nfs/dbraw/zinc/55/71/63/711557163.db2.gz WHGYRUDCPYOSJX-CQSZACIVSA-N 1 0 230.355 3.144 10 0 BGAERO CC[C@H]([NH2+]Cc1ncc(C)cc1C)C1CCC1 ZINC000724045866 711557625 /nfs/dbraw/zinc/55/76/25/711557625.db2.gz ASDXNRUSTKHXJU-AWEZNQCLSA-N 1 0 232.371 3.367 10 0 BGAERO CC[C@@H]([NH2+]Cc1ncc(C)cc1C)C1CCC1 ZINC000724045867 711557368 /nfs/dbraw/zinc/55/73/68/711557368.db2.gz ASDXNRUSTKHXJU-CQSZACIVSA-N 1 0 232.371 3.367 10 0 BGAERO Cc1ccc(C[NH2+]Cc2ncc(C)cc2C)cc1 ZINC000724046743 711557438 /nfs/dbraw/zinc/55/74/38/711557438.db2.gz DNPRXUHZXMRBJB-UHFFFAOYSA-N 1 0 240.350 3.297 10 0 BGAERO Cc1cnc(C[NH2+]CCc2ccccc2)c(C)c1 ZINC000724048593 711557841 /nfs/dbraw/zinc/55/78/41/711557841.db2.gz NLSGFJQIYRIOTR-UHFFFAOYSA-N 1 0 240.350 3.031 10 0 BGAERO Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)c(C)c1 ZINC000724094915 711560475 /nfs/dbraw/zinc/56/04/75/711560475.db2.gz DBQOXPMZPGHBCX-KFWWJZLASA-N 1 0 244.382 3.224 10 0 BGAERO Cc1cnc(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)c(C)c1 ZINC000724094916 711560557 /nfs/dbraw/zinc/56/05/57/711560557.db2.gz DBQOXPMZPGHBCX-QLFBSQMISA-N 1 0 244.382 3.224 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]CC2(C)CCCC2)C[C@H](C)O1 ZINC000724264659 711573101 /nfs/dbraw/zinc/57/31/01/711573101.db2.gz MGBGCVGOXFELOO-BTTYYORXSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@@H]1CC(C[NH2+]CC2(C)CCCC2)C[C@@H](C)O1 ZINC000724264660 711573087 /nfs/dbraw/zinc/57/30/87/711573087.db2.gz MGBGCVGOXFELOO-CHWSQXEVSA-N 1 0 239.403 3.360 10 0 BGAERO C[C@H]1CC(C[NH2+]CC2(C)CCCC2)C[C@H](C)O1 ZINC000724264661 711573074 /nfs/dbraw/zinc/57/30/74/711573074.db2.gz MGBGCVGOXFELOO-STQMWFEESA-N 1 0 239.403 3.360 10 0 BGAERO C[C@H]1CC(C[NH2+]CCc2ccccc2)C[C@H](C)O1 ZINC000724288622 711573949 /nfs/dbraw/zinc/57/39/49/711573949.db2.gz RXCCACRYLTZVGP-KBPBESRZSA-N 1 0 247.382 3.022 10 0 BGAERO C[C@@H]1C[C@@H](C[NH2+]CCc2ccccc2)C[C@H](C)O1 ZINC000724288623 711573877 /nfs/dbraw/zinc/57/38/77/711573877.db2.gz RXCCACRYLTZVGP-MIFYACCESA-N 1 0 247.382 3.022 10 0 BGAERO C[C@@H]1CC(C[NH2+]CCc2ccccc2)C[C@@H](C)O1 ZINC000724288624 711573834 /nfs/dbraw/zinc/57/38/34/711573834.db2.gz RXCCACRYLTZVGP-ZIAGYGMSSA-N 1 0 247.382 3.022 10 0 BGAERO Cc1nc(C)c(C[NH2+][C@@H](C)c2ccccc2C)[nH]1 ZINC000724784294 711613691 /nfs/dbraw/zinc/61/36/91/711613691.db2.gz TZSCYTZGEGBSAY-NSHDSACASA-N 1 0 243.354 3.186 10 0 BGAERO CSCc1ccc(C[NH2+][C@H]2C[C@@H]2C)cc1 ZINC000725113368 711652193 /nfs/dbraw/zinc/65/21/93/711652193.db2.gz HNKTZXYNNLDVLZ-GWCFXTLKSA-N 1 0 221.369 3.048 10 0 BGAERO CSCc1ccc(C[NH2+][C@@H]2C[C@@H]2C)cc1 ZINC000725113369 711652482 /nfs/dbraw/zinc/65/24/82/711652482.db2.gz HNKTZXYNNLDVLZ-GXFFZTMASA-N 1 0 221.369 3.048 10 0 BGAERO CSCc1ccc(C[NH2+][C@H]2C[C@H]2C)cc1 ZINC000725113371 711652218 /nfs/dbraw/zinc/65/22/18/711652218.db2.gz HNKTZXYNNLDVLZ-MFKMUULPSA-N 1 0 221.369 3.048 10 0 BGAERO CSCc1ccc(C[NH2+][C@@H]2C[C@H]2C)cc1 ZINC000725113373 711652616 /nfs/dbraw/zinc/65/26/16/711652616.db2.gz HNKTZXYNNLDVLZ-ZWNOBZJWSA-N 1 0 221.369 3.048 10 0 BGAERO FC1(F)[C@@H]2CCC[C@@H]([NH2+]CC3CC3)CC[C@H]21 ZINC000725241288 537979317 /nfs/dbraw/zinc/97/93/17/537979317.db2.gz CUPTZERIMCXGCA-IJLUTSLNSA-N 1 0 229.314 3.200 10 0 BGAERO FC1(F)[C@@H]2CCC[C@H]([NH2+]CC3CC3)CC[C@H]21 ZINC000725241291 537978949 /nfs/dbraw/zinc/97/89/49/537978949.db2.gz CUPTZERIMCXGCA-QJPTWQEYSA-N 1 0 229.314 3.200 10 0 BGAERO FC1(F)[C@@H]2CCC[C@H]([NH2+]CC3CC3)CC[C@@H]21 ZINC000725241292 537979326 /nfs/dbraw/zinc/97/93/26/537979326.db2.gz CUPTZERIMCXGCA-TUAOUCFPSA-N 1 0 229.314 3.200 10 0 BGAERO FC1(F)[C@@H]2CCC[C@@H]([NH2+]CC3CC3)CC[C@@H]21 ZINC000725241293 537979293 /nfs/dbraw/zinc/97/92/93/537979293.db2.gz CUPTZERIMCXGCA-UTUOFQBUSA-N 1 0 229.314 3.200 10 0 BGAERO [NH3+]Cc1ccc(-c2cc(Cl)cnc2F)s1 ZINC000725241340 537979399 /nfs/dbraw/zinc/97/93/99/537979399.db2.gz MSWXWMXTOJSLAQ-UHFFFAOYSA-N 1 0 242.706 3.061 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@@H]2[C@@H](CC1)C2(F)F ZINC000725241485 541329770 /nfs/dbraw/zinc/32/97/70/541329770.db2.gz GKACWGIWIAUXGL-GMTAPVOTSA-N 1 0 217.303 3.200 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@@H]2[C@H](CC1)C2(F)F ZINC000725241487 541329698 /nfs/dbraw/zinc/32/96/98/541329698.db2.gz GKACWGIWIAUXGL-MXWKQRLJSA-N 1 0 217.303 3.200 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@H]2[C@@H](CC1)C2(F)F ZINC000725241488 541329640 /nfs/dbraw/zinc/32/96/40/541329640.db2.gz GKACWGIWIAUXGL-OUAUKWLOSA-N 1 0 217.303 3.200 10 0 BGAERO CCC[NH2+][C@@H]1CCC[C@H]2[C@H](CC1)C2(F)F ZINC000725241490 541329956 /nfs/dbraw/zinc/32/99/56/541329956.db2.gz GKACWGIWIAUXGL-VWYCJHECSA-N 1 0 217.303 3.200 10 0 BGAERO CC(C)C[NH2+][C@@H]1CCC[C@H]2[C@@H](CC1)C2(F)F ZINC000725241956 537982195 /nfs/dbraw/zinc/98/21/95/537982195.db2.gz XYGWFNHZBQWQTO-GRYCIOLGSA-N 1 0 231.330 3.446 10 0 BGAERO CC(C)C[NH2+][C@@H]1CCC[C@@H]2[C@@H](CC1)C2(F)F ZINC000725241957 537982220 /nfs/dbraw/zinc/98/22/20/537982220.db2.gz XYGWFNHZBQWQTO-IJLUTSLNSA-N 1 0 231.330 3.446 10 0 BGAERO CC(C)C[NH2+][C@@H]1CCC[C@@H]2[C@H](CC1)C2(F)F ZINC000725241958 537980882 /nfs/dbraw/zinc/98/08/82/537980882.db2.gz XYGWFNHZBQWQTO-UTUOFQBUSA-N 1 0 231.330 3.446 10 0 BGAERO CC(C)C[NH2+][C@@H]1CCC[C@H]2[C@H](CC1)C2(F)F ZINC000725241959 537982283 /nfs/dbraw/zinc/98/22/83/537982283.db2.gz XYGWFNHZBQWQTO-WOPDTQHZSA-N 1 0 231.330 3.446 10 0 BGAERO C[C@@]1(CCC(F)(F)F)[NH2+]CCc2ccsc21 ZINC000725242536 537985787 /nfs/dbraw/zinc/98/57/87/537985787.db2.gz CLBYWHHMDQQLEG-JTQLQIEISA-N 1 0 249.301 3.452 10 0 BGAERO C[C@]1(CCC(F)(F)F)[NH2+]CCc2ccsc21 ZINC000725242537 537986135 /nfs/dbraw/zinc/98/61/35/537986135.db2.gz CLBYWHHMDQQLEG-SNVBAGLBSA-N 1 0 249.301 3.452 10 0 BGAERO C[C@@]1(CCC(F)(F)F)[NH2+]CCc2sccc21 ZINC000725242576 537986720 /nfs/dbraw/zinc/98/67/20/537986720.db2.gz INHJYTOYAWSTHV-JTQLQIEISA-N 1 0 249.301 3.452 10 0 BGAERO C[C@]1(CCC(F)(F)F)[NH2+]CCc2sccc21 ZINC000725242577 537986890 /nfs/dbraw/zinc/98/68/90/537986890.db2.gz INHJYTOYAWSTHV-SNVBAGLBSA-N 1 0 249.301 3.452 10 0 BGAERO CCC(C)(C)[C@@H]1CCC(=O)[C@]2(C[NH2+]C[C@H]2C)C1 ZINC000725244725 537997272 /nfs/dbraw/zinc/99/72/72/537997272.db2.gz ALKWACKNUKOXKS-JMSVASOKSA-N 1 0 237.387 3.018 10 0 BGAERO CCC(C)(C)[C@@H]1CCC(=O)[C@@]2(C[NH2+]C[C@H]2C)C1 ZINC000725244726 537997519 /nfs/dbraw/zinc/99/75/19/537997519.db2.gz ALKWACKNUKOXKS-LALPHHSUSA-N 1 0 237.387 3.018 10 0 BGAERO CCC(C)(C)[C@@H]1CCC(=O)[C@@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725244727 537997482 /nfs/dbraw/zinc/99/74/82/537997482.db2.gz ALKWACKNUKOXKS-YWPYICTPSA-N 1 0 237.387 3.018 10 0 BGAERO CCC(C)(C)[C@@H]1CCC(=O)[C@]2(C[NH2+]C[C@@H]2C)C1 ZINC000725244728 537998978 /nfs/dbraw/zinc/99/89/78/537998978.db2.gz ALKWACKNUKOXKS-ZOWXZIJZSA-N 1 0 237.387 3.018 10 0 BGAERO CC(C)(C)OC(=O)C1(C[NH3+])CCCCCCC1 ZINC000725245548 538001366 /nfs/dbraw/zinc/00/13/66/538001366.db2.gz VOYGWHFWCARJMH-UHFFFAOYSA-N 1 0 241.375 3.018 10 0 BGAERO C[N@@H+]1CC[C@@H](CSCC[Si](C)(C)C)C1 ZINC000725245618 538002747 /nfs/dbraw/zinc/00/27/47/538002747.db2.gz LBKBEFKESZSIER-LLVKDONJSA-N 1 0 231.481 3.010 10 0 BGAERO C[N@@H+]1CC[C@H](CSCC[Si](C)(C)C)C1 ZINC000725245619 538002017 /nfs/dbraw/zinc/00/20/17/538002017.db2.gz LBKBEFKESZSIER-NSHDSACASA-N 1 0 231.481 3.010 10 0 BGAERO CC(C)(C)C1CCC2(C[NH2+]CC2(F)F)CC1 ZINC000725247207 538011527 /nfs/dbraw/zinc/01/15/27/538011527.db2.gz KEFLRXWJDCEDKP-UHFFFAOYSA-N 1 0 231.330 3.448 10 0 BGAERO CC(C)C1CCC2(C[NH2+]CC2(F)F)CC1 ZINC000725247610 538013357 /nfs/dbraw/zinc/01/33/57/538013357.db2.gz SAIHLNBWSOKEIC-UHFFFAOYSA-N 1 0 217.303 3.058 10 0 BGAERO CCCC1CCC2(C[NH2+]CC2(F)F)CC1 ZINC000725247773 538012988 /nfs/dbraw/zinc/01/29/88/538012988.db2.gz XVSQEVGVUAOUCZ-UHFFFAOYSA-N 1 0 217.303 3.202 10 0 BGAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@H]1c1ccccc1F ZINC000725254312 538045576 /nfs/dbraw/zinc/04/55/76/538045576.db2.gz FETCIBJRJVIDED-BHYNMZESSA-N 1 0 219.303 3.070 10 0 BGAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@@H]1c1ccccc1F ZINC000725254313 538045668 /nfs/dbraw/zinc/04/56/68/538045668.db2.gz FETCIBJRJVIDED-DUFXMDAXSA-N 1 0 219.303 3.070 10 0 BGAERO C[C@@H]1[NH2+][C@@H](C2CC2)C[C@H]1c1ccccc1F ZINC000725254314 538045596 /nfs/dbraw/zinc/04/55/96/538045596.db2.gz FETCIBJRJVIDED-MRCXROJRSA-N 1 0 219.303 3.070 10 0 BGAERO C[C@@H]1[NH2+][C@H](C2CC2)C[C@@H]1c1ccccc1F ZINC000725254315 538045557 /nfs/dbraw/zinc/04/55/57/538045557.db2.gz FETCIBJRJVIDED-WFBYXXMGSA-N 1 0 219.303 3.070 10 0 BGAERO CCc1cccc([C@H]2C[NH2+][C@H](C3CC3)C2)c1 ZINC000725254342 538045529 /nfs/dbraw/zinc/04/55/29/538045529.db2.gz IBWNYWHZVLJYKD-CABCVRRESA-N 1 0 215.340 3.105 10 0 BGAERO CCc1cccc([C@@H]2C[NH2+][C@H](C3CC3)C2)c1 ZINC000725254343 538045522 /nfs/dbraw/zinc/04/55/22/538045522.db2.gz IBWNYWHZVLJYKD-GJZGRUSLSA-N 1 0 215.340 3.105 10 0 BGAERO CCc1cccc([C@H]2C[NH2+][C@@H](C3CC3)C2)c1 ZINC000725254344 538045646 /nfs/dbraw/zinc/04/56/46/538045646.db2.gz IBWNYWHZVLJYKD-HUUCEWRRSA-N 1 0 215.340 3.105 10 0 BGAERO CCc1cccc([C@@H]2C[NH2+][C@@H](C3CC3)C2)c1 ZINC000725254345 538045608 /nfs/dbraw/zinc/04/56/08/538045608.db2.gz IBWNYWHZVLJYKD-LSDHHAIUSA-N 1 0 215.340 3.105 10 0 BGAERO CCc1ccc([C@@H]2C[C@H](C3CC3)[NH2+][C@@H]2C)cc1 ZINC000725254421 538047452 /nfs/dbraw/zinc/04/74/52/538047452.db2.gz PMHQDJWIKRBESG-HFBAOOFYSA-N 1 0 229.367 3.493 10 0 BGAERO CCc1ccc([C@@H]2C[C@H](C3CC3)[NH2+][C@H]2C)cc1 ZINC000725254422 538047428 /nfs/dbraw/zinc/04/74/28/538047428.db2.gz PMHQDJWIKRBESG-IUIKQTSFSA-N 1 0 229.367 3.493 10 0 BGAERO CCc1ccc([C@@H]2C[C@@H](C3CC3)[NH2+][C@@H]2C)cc1 ZINC000725254423 538046978 /nfs/dbraw/zinc/04/69/78/538046978.db2.gz PMHQDJWIKRBESG-LYRGGWFBSA-N 1 0 229.367 3.493 10 0 BGAERO CCc1ccc([C@@H]2C[C@@H](C3CC3)[NH2+][C@H]2C)cc1 ZINC000725254424 538047353 /nfs/dbraw/zinc/04/73/53/538047353.db2.gz PMHQDJWIKRBESG-XZJROXQQSA-N 1 0 229.367 3.493 10 0 BGAERO CCc1cccc([C@@H]2C[C@H](C3CC3)[NH2+][C@@H]2C)c1 ZINC000725254431 538047226 /nfs/dbraw/zinc/04/72/26/538047226.db2.gz QHFGZZXBYPJDRK-HFBAOOFYSA-N 1 0 229.367 3.493 10 0 BGAERO CCc1cccc([C@@H]2C[C@H](C3CC3)[NH2+][C@H]2C)c1 ZINC000725254432 538047445 /nfs/dbraw/zinc/04/74/45/538047445.db2.gz QHFGZZXBYPJDRK-IUIKQTSFSA-N 1 0 229.367 3.493 10 0 BGAERO CCc1cccc([C@@H]2C[C@@H](C3CC3)[NH2+][C@@H]2C)c1 ZINC000725254433 538047179 /nfs/dbraw/zinc/04/71/79/538047179.db2.gz QHFGZZXBYPJDRK-LYRGGWFBSA-N 1 0 229.367 3.493 10 0 BGAERO CCc1cccc([C@@H]2C[C@@H](C3CC3)[NH2+][C@H]2C)c1 ZINC000725254434 538046985 /nfs/dbraw/zinc/04/69/85/538046985.db2.gz QHFGZZXBYPJDRK-XZJROXQQSA-N 1 0 229.367 3.493 10 0 BGAERO CCc1ccc([C@H]2C[NH2+][C@H](C3CC3)C2)cc1 ZINC000725254474 538047220 /nfs/dbraw/zinc/04/72/20/538047220.db2.gz VGIQQJMKKNZWEP-CABCVRRESA-N 1 0 215.340 3.105 10 0 BGAERO CCc1ccc([C@@H]2C[NH2+][C@H](C3CC3)C2)cc1 ZINC000725254475 538047044 /nfs/dbraw/zinc/04/70/44/538047044.db2.gz VGIQQJMKKNZWEP-GJZGRUSLSA-N 1 0 215.340 3.105 10 0 BGAERO CCc1ccc([C@H]2C[NH2+][C@@H](C3CC3)C2)cc1 ZINC000725254476 538047138 /nfs/dbraw/zinc/04/71/38/538047138.db2.gz VGIQQJMKKNZWEP-HUUCEWRRSA-N 1 0 215.340 3.105 10 0 BGAERO CCc1ccc([C@@H]2C[NH2+][C@@H](C3CC3)C2)cc1 ZINC000725254477 538047127 /nfs/dbraw/zinc/04/71/27/538047127.db2.gz VGIQQJMKKNZWEP-LSDHHAIUSA-N 1 0 215.340 3.105 10 0 BGAERO Cc1cccc([C@@H]2C[C@@H](C3CC3)[NH2+][C@@H]2C)c1 ZINC000725254545 538047307 /nfs/dbraw/zinc/04/73/07/538047307.db2.gz XYYUKBNLJXBKJB-DFBGVHRSSA-N 1 0 215.340 3.239 10 0 BGAERO Cc1cccc([C@@H]2C[C@@H](C3CC3)[NH2+][C@H]2C)c1 ZINC000725254546 538047340 /nfs/dbraw/zinc/04/73/40/538047340.db2.gz XYYUKBNLJXBKJB-GLQYFDAESA-N 1 0 215.340 3.239 10 0 BGAERO Cc1cccc([C@@H]2C[C@H](C3CC3)[NH2+][C@@H]2C)c1 ZINC000725254547 538047276 /nfs/dbraw/zinc/04/72/76/538047276.db2.gz XYYUKBNLJXBKJB-KCPJHIHWSA-N 1 0 215.340 3.239 10 0 BGAERO Cc1cccc([C@@H]2C[C@H](C3CC3)[NH2+][C@H]2C)c1 ZINC000725254548 538047148 /nfs/dbraw/zinc/04/71/48/538047148.db2.gz XYYUKBNLJXBKJB-NILFDRSVSA-N 1 0 215.340 3.239 10 0 BGAERO Cc1ccccc1[C@@H]1C[C@@H](C2CC2)[NH2+][C@@H]1C ZINC000725254549 538047234 /nfs/dbraw/zinc/04/72/34/538047234.db2.gz YDHHSZQARAPTFW-DFBGVHRSSA-N 1 0 215.340 3.239 10 0 BGAERO Cc1ccccc1[C@@H]1C[C@@H](C2CC2)[NH2+][C@H]1C ZINC000725254550 538047103 /nfs/dbraw/zinc/04/71/03/538047103.db2.gz YDHHSZQARAPTFW-GLQYFDAESA-N 1 0 215.340 3.239 10 0 BGAERO Cc1ccccc1[C@@H]1C[C@H](C2CC2)[NH2+][C@@H]1C ZINC000725254551 538047401 /nfs/dbraw/zinc/04/74/01/538047401.db2.gz YDHHSZQARAPTFW-KCPJHIHWSA-N 1 0 215.340 3.239 10 0 BGAERO Cc1ccccc1[C@@H]1C[C@H](C2CC2)[NH2+][C@H]1C ZINC000725254552 538047011 /nfs/dbraw/zinc/04/70/11/538047011.db2.gz YDHHSZQARAPTFW-NILFDRSVSA-N 1 0 215.340 3.239 10 0 BGAERO CC[C@@H]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725255841 538054198 /nfs/dbraw/zinc/05/41/98/538054198.db2.gz DWLJTCZMDBRZOB-CIUDSAMLSA-N 1 0 209.255 3.092 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725255848 538054522 /nfs/dbraw/zinc/05/45/22/538054522.db2.gz DWLJTCZMDBRZOB-DJLDLDEBSA-N 1 0 209.255 3.092 10 0 BGAERO CC[C@@H]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725255851 538054272 /nfs/dbraw/zinc/05/42/72/538054272.db2.gz DWLJTCZMDBRZOB-XHNCKOQMSA-N 1 0 209.255 3.092 10 0 BGAERO CC[C@H]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725255852 538054244 /nfs/dbraw/zinc/05/42/44/538054244.db2.gz DWLJTCZMDBRZOB-YIZRAAEISA-N 1 0 209.255 3.092 10 0 BGAERO CC(C)[C@H]1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])CC1 ZINC000725255994 538054485 /nfs/dbraw/zinc/05/44/85/538054485.db2.gz OJHWHWQPMSVDJR-AEJSXWLSSA-N 1 0 223.282 3.338 10 0 BGAERO CC(C)[C@@H]1CC[C@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725256000 541332721 /nfs/dbraw/zinc/33/27/21/541332721.db2.gz OJHWHWQPMSVDJR-GUBZILKMSA-N 1 0 223.282 3.338 10 0 BGAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@H](C(F)(F)F)CC1 ZINC000725256002 541332739 /nfs/dbraw/zinc/33/27/39/541332739.db2.gz OJHWHWQPMSVDJR-IVZWLZJFSA-N 1 0 223.282 3.338 10 0 BGAERO CC(C)[C@@H]1CC[C@@H]([NH3+])[C@@H](C(F)(F)F)CC1 ZINC000725256006 541332792 /nfs/dbraw/zinc/33/27/92/541332792.db2.gz OJHWHWQPMSVDJR-LPEHRKFASA-N 1 0 223.282 3.338 10 0 BGAERO C[NH+](C)[C@@]1(C)CC=C(c2ccc(C=O)cc2)CC1 ZINC000725256686 538058059 /nfs/dbraw/zinc/05/80/59/538058059.db2.gz FCDMCMHKAFWEFG-INIZCTEOSA-N 1 0 243.350 3.387 10 0 BGAERO C[NH+](C)[C@]1(C)CC=C(c2ccc(C=O)cc2)CC1 ZINC000725256687 538058128 /nfs/dbraw/zinc/05/81/28/538058128.db2.gz FCDMCMHKAFWEFG-MRXNPFEDSA-N 1 0 243.350 3.387 10 0 BGAERO C[NH+](C)[C@@]1(C)CC=C(c2csc(C=O)c2)CC1 ZINC000725256700 538057672 /nfs/dbraw/zinc/05/76/72/538057672.db2.gz GSBYKRUNIIRINC-AWEZNQCLSA-N 1 0 249.379 3.448 10 0 BGAERO C[NH+](C)[C@]1(C)CC=C(c2csc(C=O)c2)CC1 ZINC000725256701 538060128 /nfs/dbraw/zinc/06/01/28/538060128.db2.gz GSBYKRUNIIRINC-CQSZACIVSA-N 1 0 249.379 3.448 10 0 BGAERO C[NH+](C)[C@@]1(C)CC=C(c2ccccc2C=O)CC1 ZINC000725256733 538056867 /nfs/dbraw/zinc/05/68/67/538056867.db2.gz KKDYDQWEZBVONY-INIZCTEOSA-N 1 0 243.350 3.387 10 0 BGAERO C[NH+](C)[C@]1(C)CC=C(c2ccccc2C=O)CC1 ZINC000725256734 538057113 /nfs/dbraw/zinc/05/71/13/538057113.db2.gz KKDYDQWEZBVONY-MRXNPFEDSA-N 1 0 243.350 3.387 10 0 BGAERO C[NH+](C)[C@@]1(C)CC=C(c2cccc(C=O)c2)CC1 ZINC000725256740 538056703 /nfs/dbraw/zinc/05/67/03/538056703.db2.gz LUUOBAADNGOIJD-INIZCTEOSA-N 1 0 243.350 3.387 10 0 BGAERO C[NH+](C)[C@]1(C)CC=C(c2cccc(C=O)c2)CC1 ZINC000725256741 538056926 /nfs/dbraw/zinc/05/69/26/538056926.db2.gz LUUOBAADNGOIJD-MRXNPFEDSA-N 1 0 243.350 3.387 10 0 BGAERO C[NH+](C)[C@@]1(C)CC=C(c2ccsc2C=O)CC1 ZINC000725256764 538058775 /nfs/dbraw/zinc/05/87/75/538058775.db2.gz PVGDPAMXCMCMLT-AWEZNQCLSA-N 1 0 249.379 3.448 10 0 BGAERO C[NH+](C)[C@]1(C)CC=C(c2ccsc2C=O)CC1 ZINC000725256765 538059658 /nfs/dbraw/zinc/05/96/58/538059658.db2.gz PVGDPAMXCMCMLT-CQSZACIVSA-N 1 0 249.379 3.448 10 0 BGAERO CCCCc1ccc([C@@]2(C[NH3+])C[C@@H](F)C2)cc1 ZINC000725258958 538077280 /nfs/dbraw/zinc/07/72/80/538077280.db2.gz IQJPNCIWRXZAIV-GASCZTMLSA-N 1 0 235.346 3.358 10 0 BGAERO CC(C)(C)c1ccc([C@@]2(C[NH3+])C[C@@H](F)C2)cc1 ZINC000725259019 538078648 /nfs/dbraw/zinc/07/86/48/538078648.db2.gz NPAOWHWLJUIDBL-OTVXOJSOSA-N 1 0 235.346 3.313 10 0 BGAERO [NH3+]C[C@@]1(c2ccc(C(F)(F)F)cc2)C[C@H](F)C1 ZINC000725259048 538078804 /nfs/dbraw/zinc/07/88/04/538078804.db2.gz ULEDZQMMZOCGQA-PHIMTYICSA-N 1 0 247.235 3.034 10 0 BGAERO CC(C)Cc1ccc([C@@]2(C[NH3+])C[C@@H](F)C2)cc1 ZINC000725259104 539026827 /nfs/dbraw/zinc/02/68/27/539026827.db2.gz YHBKPGHOFWXETA-GASCZTMLSA-N 1 0 235.346 3.214 10 0 BGAERO CC(C)C(c1nc2n(c1C[NH3+])CCCC2)C(C)C ZINC000725260409 538082334 /nfs/dbraw/zinc/08/23/34/538082334.db2.gz RLEHDLOJLZHZGZ-UHFFFAOYSA-N 1 0 249.402 3.074 10 0 BGAERO CC(C)C(c1nc2ccccn2c1C[NH3+])C(C)C ZINC000725260633 538084309 /nfs/dbraw/zinc/08/43/09/538084309.db2.gz WJPOFAPKBMUDQX-UHFFFAOYSA-N 1 0 245.370 3.189 10 0 BGAERO CC(C)([NH3+])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000725261418 538086720 /nfs/dbraw/zinc/08/67/20/538086720.db2.gz LGHPWRCVXBIGBO-HTQZYQBOSA-N 1 0 209.255 3.092 10 0 BGAERO CC(C)([NH3+])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000725261419 538086485 /nfs/dbraw/zinc/08/64/85/538086485.db2.gz LGHPWRCVXBIGBO-JGVFFNPUSA-N 1 0 209.255 3.092 10 0 BGAERO CC(C)([NH3+])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000725261420 538087307 /nfs/dbraw/zinc/08/73/07/538087307.db2.gz LGHPWRCVXBIGBO-SFYZADRCSA-N 1 0 209.255 3.092 10 0 BGAERO CC(C)([NH3+])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000725261421 538086755 /nfs/dbraw/zinc/08/67/55/538086755.db2.gz LGHPWRCVXBIGBO-YUMQZZPRSA-N 1 0 209.255 3.092 10 0 BGAERO CC(C)(C[NH3+])[C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000725261547 538086786 /nfs/dbraw/zinc/08/67/86/538086786.db2.gz ZWIQUEIWAYWMOM-BDAKNGLRSA-N 1 0 223.282 3.340 10 0 BGAERO CC(C)(C[NH3+])[C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000725261548 538086774 /nfs/dbraw/zinc/08/67/74/538086774.db2.gz ZWIQUEIWAYWMOM-DTWKUNHWSA-N 1 0 223.282 3.340 10 0 BGAERO CC(C)(C[NH3+])[C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000725261549 538086501 /nfs/dbraw/zinc/08/65/01/538086501.db2.gz ZWIQUEIWAYWMOM-IUCAKERBSA-N 1 0 223.282 3.340 10 0 BGAERO CC(C)(C[NH3+])[C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000725261550 538087355 /nfs/dbraw/zinc/08/73/55/538087355.db2.gz ZWIQUEIWAYWMOM-RKDXNWHRSA-N 1 0 223.282 3.340 10 0 BGAERO C1C[C@H]2C[C@H](C3CCCCC3)CC[C@H]2[NH2+]1 ZINC000725261666 538087167 /nfs/dbraw/zinc/08/71/67/538087167.db2.gz AVYKKUVAICXCHY-HZSPNIEDSA-N 1 0 207.361 3.345 10 0 BGAERO C1C[C@@H]2C[C@H](C3CCCCC3)CC[C@@H]2[NH2+]1 ZINC000725261667 538086521 /nfs/dbraw/zinc/08/65/21/538086521.db2.gz AVYKKUVAICXCHY-MCIONIFRSA-N 1 0 207.361 3.345 10 0 BGAERO C1C[C@@H]2C[C@H](C3CCCCC3)CC[C@H]2[NH2+]1 ZINC000725261668 538087152 /nfs/dbraw/zinc/08/71/52/538087152.db2.gz AVYKKUVAICXCHY-MGPQQGTHSA-N 1 0 207.361 3.345 10 0 BGAERO C1C[C@H]2C[C@H](C3CCCCC3)CC[C@@H]2[NH2+]1 ZINC000725261669 538086635 /nfs/dbraw/zinc/08/66/35/538086635.db2.gz AVYKKUVAICXCHY-RDBSUJKOSA-N 1 0 207.361 3.345 10 0 BGAERO CCC(CC)C[NH2+]CC(C)(C)C1CCOCC1 ZINC000725263009 538089537 /nfs/dbraw/zinc/08/95/37/538089537.db2.gz BKLKSRLZLVYWDA-UHFFFAOYSA-N 1 0 241.419 3.465 10 0 BGAERO CCC[C@@H](C)C[NH2+]CC(C)(C)C1CCOCC1 ZINC000725263052 538089369 /nfs/dbraw/zinc/08/93/69/538089369.db2.gz HAZKKLKKJFUNIJ-CYBMUJFWSA-N 1 0 241.419 3.465 10 0 BGAERO CCC[C@H](C)C[NH2+]CC(C)(C)C1CCOCC1 ZINC000725263053 538089578 /nfs/dbraw/zinc/08/95/78/538089578.db2.gz HAZKKLKKJFUNIJ-ZDUSSCGKSA-N 1 0 241.419 3.465 10 0 BGAERO [NH3+]Cc1ccc(-c2cccc3occc32)nc1F ZINC000725263404 541336211 /nfs/dbraw/zinc/33/62/11/541336211.db2.gz ZHGMJYVCENNPHL-UHFFFAOYSA-N 1 0 242.253 3.093 10 0 BGAERO c1ccc(C[C@H]2C[C@H]2CC[NH2+]CC2CC2)cc1 ZINC000725263998 538090732 /nfs/dbraw/zinc/09/07/32/538090732.db2.gz ZSURDIYYZSRJJH-CVEARBPZSA-N 1 0 229.367 3.255 10 0 BGAERO c1ccc(C[C@H]2C[C@@H]2CC[NH2+]CC2CC2)cc1 ZINC000725263999 538090708 /nfs/dbraw/zinc/09/07/08/538090708.db2.gz ZSURDIYYZSRJJH-HOTGVXAUSA-N 1 0 229.367 3.255 10 0 BGAERO c1ccc(C[C@@H]2C[C@H]2CC[NH2+]CC2CC2)cc1 ZINC000725264000 538090689 /nfs/dbraw/zinc/09/06/89/538090689.db2.gz ZSURDIYYZSRJJH-HZPDHXFCSA-N 1 0 229.367 3.255 10 0 BGAERO c1ccc(C[C@@H]2C[C@@H]2CC[NH2+]CC2CC2)cc1 ZINC000725264001 539027021 /nfs/dbraw/zinc/02/70/21/539027021.db2.gz ZSURDIYYZSRJJH-JKSUJKDBSA-N 1 0 229.367 3.255 10 0 BGAERO CCC(CC)[NH2+]Cc1ccc2c(c1C)OCCO2 ZINC000725264011 538090652 /nfs/dbraw/zinc/09/06/52/538090652.db2.gz FIBKWLFDHNECHF-UHFFFAOYSA-N 1 0 249.354 3.044 10 0 BGAERO CC(C)[C@@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264209 538091033 /nfs/dbraw/zinc/09/10/33/538091033.db2.gz GRESVXXECUEKGM-LLVKDONJSA-N 1 0 248.370 3.111 10 0 BGAERO CC(C)[C@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264210 538090464 /nfs/dbraw/zinc/09/04/64/538090464.db2.gz GRESVXXECUEKGM-NSHDSACASA-N 1 0 248.370 3.111 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264219 538090845 /nfs/dbraw/zinc/09/08/45/538090845.db2.gz GUWPYKDLFNZDGG-LLVKDONJSA-N 1 0 248.370 3.255 10 0 BGAERO CCC[C@H](C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000725264221 538090633 /nfs/dbraw/zinc/09/06/33/538090633.db2.gz GUWPYKDLFNZDGG-NSHDSACASA-N 1 0 248.370 3.255 10 0 BGAERO CCC(C)(C)[NH2+]Cc1ccc2c(c1C)OCCO2 ZINC000725264276 538090711 /nfs/dbraw/zinc/09/07/11/538090711.db2.gz WHEOZXJNTSQCLY-UHFFFAOYSA-N 1 0 249.354 3.044 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)C1CCCCCC1 ZINC000725266768 538096781 /nfs/dbraw/zinc/09/67/81/538096781.db2.gz CVAQRXZSNIXKPJ-DZGCQCFKSA-N 1 0 241.419 3.344 10 0 BGAERO CC[C@@H](C)[NH2+]CC[C@@H](CO)C1CCCCCC1 ZINC000725266769 538097010 /nfs/dbraw/zinc/09/70/10/538097010.db2.gz CVAQRXZSNIXKPJ-HIFRSBDPSA-N 1 0 241.419 3.344 10 0 BGAERO CC[C@@H](C)[NH2+]CC[C@H](CO)C1CCCCCC1 ZINC000725266770 538096436 /nfs/dbraw/zinc/09/64/36/538096436.db2.gz CVAQRXZSNIXKPJ-UKRRQHHQSA-N 1 0 241.419 3.344 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@@H](CO)C1CCCCCC1 ZINC000725266771 538097145 /nfs/dbraw/zinc/09/71/45/538097145.db2.gz CVAQRXZSNIXKPJ-ZFWWWQNUSA-N 1 0 241.419 3.344 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@@H]1CCC[C@H](C)C1 ZINC000725266774 538097143 /nfs/dbraw/zinc/09/71/43/538097143.db2.gz DDDOSRHBSPSHME-BYNSBNAKSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@H]1CCC[C@@H](C)C1 ZINC000725266775 538096373 /nfs/dbraw/zinc/09/63/73/538096373.db2.gz DDDOSRHBSPSHME-CBBWQLFWSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@@H]1CCC[C@@H](C)C1 ZINC000725266776 538097147 /nfs/dbraw/zinc/09/71/47/538097147.db2.gz DDDOSRHBSPSHME-LXTVHRRPSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@H]1CCC[C@H](C)C1 ZINC000725266777 538096816 /nfs/dbraw/zinc/09/68/16/538096816.db2.gz DDDOSRHBSPSHME-ZQDZILKHSA-N 1 0 241.419 3.199 10 0 BGAERO OC[C@H](CC[NH2+]C1CCCCC1)C1CCCC1 ZINC000725266794 538096603 /nfs/dbraw/zinc/09/66/03/538096603.db2.gz DVJRRSMEKFWVJM-AWEZNQCLSA-N 1 0 239.403 3.098 10 0 BGAERO OC[C@@H](CC[NH2+]C1CCCCC1)C1CCCC1 ZINC000725266795 538096916 /nfs/dbraw/zinc/09/69/16/538096916.db2.gz DVJRRSMEKFWVJM-CQSZACIVSA-N 1 0 239.403 3.098 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)[C@H]1CCC[C@@H](C)C1 ZINC000725266817 538096973 /nfs/dbraw/zinc/09/69/73/538096973.db2.gz GSGGYQRJDUKLHZ-QLFBSQMISA-N 1 0 241.419 3.201 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)[C@@H]1CCC[C@@H](C)C1 ZINC000725266818 538096451 /nfs/dbraw/zinc/09/64/51/538096451.db2.gz GSGGYQRJDUKLHZ-RBSFLKMASA-N 1 0 241.419 3.201 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)[C@@H]1CCC[C@H](C)C1 ZINC000725266819 538097052 /nfs/dbraw/zinc/09/70/52/538097052.db2.gz GSGGYQRJDUKLHZ-RRFJBIMHSA-N 1 0 241.419 3.201 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)[C@H]1CCC[C@H](C)C1 ZINC000725266820 538096418 /nfs/dbraw/zinc/09/64/18/538096418.db2.gz GSGGYQRJDUKLHZ-SOUVJXGZSA-N 1 0 241.419 3.201 10 0 BGAERO C[C@@H]1CCC[C@H]([C@@H](CO)CC[NH2+]C(C)(C)C)C1 ZINC000725266826 538096669 /nfs/dbraw/zinc/09/66/69/538096669.db2.gz HXMCNBWWWOSIGD-HZSPNIEDSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1CCC[C@@H]([C@H](CO)CC[NH2+]C(C)(C)C)C1 ZINC000725266827 538097072 /nfs/dbraw/zinc/09/70/72/538097072.db2.gz HXMCNBWWWOSIGD-MCIONIFRSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1CCC[C@@H]([C@@H](CO)CC[NH2+]C(C)(C)C)C1 ZINC000725266828 538097137 /nfs/dbraw/zinc/09/71/37/538097137.db2.gz HXMCNBWWWOSIGD-MGPQQGTHSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1CCC[C@H]([C@H](CO)CC[NH2+]C(C)(C)C)C1 ZINC000725266829 538096354 /nfs/dbraw/zinc/09/63/54/538096354.db2.gz HXMCNBWWWOSIGD-RDBSUJKOSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)[NH2+]CC[C@@H](CO)C1CCC(C)(C)CC1 ZINC000725266852 538097633 /nfs/dbraw/zinc/09/76/33/538097633.db2.gz JJGJASVYAZNNPQ-AWEZNQCLSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)[NH2+]CC[C@H](CO)C1CCC(C)(C)CC1 ZINC000725266853 538097653 /nfs/dbraw/zinc/09/76/53/538097653.db2.gz JJGJASVYAZNNPQ-CQSZACIVSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)(C)[NH2+]CC[C@@H](CO)C1CCCCCC1 ZINC000725266937 538097381 /nfs/dbraw/zinc/09/73/81/538097381.db2.gz NHEGJZXLEOWYFC-AWEZNQCLSA-N 1 0 241.419 3.344 10 0 BGAERO CC(C)(C)[NH2+]CC[C@H](CO)C1CCCCCC1 ZINC000725266938 538097340 /nfs/dbraw/zinc/09/73/40/538097340.db2.gz NHEGJZXLEOWYFC-CQSZACIVSA-N 1 0 241.419 3.344 10 0 BGAERO CC(C)[NH2+]CC[C@@H](CO)[C@H]1CCCC(C)(C)C1 ZINC000725266984 538096538 /nfs/dbraw/zinc/09/65/38/538096538.db2.gz OSDUDLMEZFLYGA-KBPBESRZSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)[NH2+]CC[C@@H](CO)[C@@H]1CCCC(C)(C)C1 ZINC000725266985 538096888 /nfs/dbraw/zinc/09/68/88/538096888.db2.gz OSDUDLMEZFLYGA-KGLIPLIRSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)[NH2+]CC[C@H](CO)[C@H]1CCCC(C)(C)C1 ZINC000725266986 538097026 /nfs/dbraw/zinc/09/70/26/538097026.db2.gz OSDUDLMEZFLYGA-UONOGXRCSA-N 1 0 241.419 3.199 10 0 BGAERO CC(C)[NH2+]CC[C@H](CO)[C@@H]1CCCC(C)(C)C1 ZINC000725266987 538096860 /nfs/dbraw/zinc/09/68/60/538096860.db2.gz OSDUDLMEZFLYGA-ZIAGYGMSSA-N 1 0 241.419 3.199 10 0 BGAERO CCCC[NH2+]CC[C@@H](CO)C1CCCCCC1 ZINC000725267011 538096674 /nfs/dbraw/zinc/09/66/74/538096674.db2.gz QETJFBOIVMUJIC-HNNXBMFYSA-N 1 0 241.419 3.345 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)C1CCCCCC1 ZINC000725267012 538096967 /nfs/dbraw/zinc/09/69/67/538096967.db2.gz QETJFBOIVMUJIC-OAHLLOKOSA-N 1 0 241.419 3.345 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@H]1CCCC[C@H]1C ZINC000725267013 538096361 /nfs/dbraw/zinc/09/63/61/538096361.db2.gz QJGUSIITVJHQKA-BARDWOONSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@@H]1C ZINC000725267014 538096541 /nfs/dbraw/zinc/09/65/41/538096541.db2.gz QJGUSIITVJHQKA-BYNSBNAKSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@H]1C ZINC000725267015 538096651 /nfs/dbraw/zinc/09/66/51/538096651.db2.gz QJGUSIITVJHQKA-LXTVHRRPSA-N 1 0 241.419 3.199 10 0 BGAERO CC[C@H](C)[NH2+]CC[C@H](CO)[C@H]1CCCC[C@@H]1C ZINC000725267016 538097035 /nfs/dbraw/zinc/09/70/35/538097035.db2.gz QJGUSIITVJHQKA-XQLPTFJDSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1CCCC[C@H]1[C@H](CO)CC[NH2+]C(C)(C)C ZINC000725267123 538097333 /nfs/dbraw/zinc/09/73/33/538097333.db2.gz QUEJZBUAQQJRSQ-HZSPNIEDSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[C@@H](CO)CC[NH2+]C(C)(C)C ZINC000725267124 538097330 /nfs/dbraw/zinc/09/73/30/538097330.db2.gz QUEJZBUAQQJRSQ-MCIONIFRSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1CCCC[C@H]1[C@@H](CO)CC[NH2+]C(C)(C)C ZINC000725267125 538097840 /nfs/dbraw/zinc/09/78/40/538097840.db2.gz QUEJZBUAQQJRSQ-MGPQQGTHSA-N 1 0 241.419 3.199 10 0 BGAERO C[C@@H]1CCCC[C@@H]1[C@H](CO)CC[NH2+]C(C)(C)C ZINC000725267126 538097347 /nfs/dbraw/zinc/09/73/47/538097347.db2.gz QUEJZBUAQQJRSQ-RDBSUJKOSA-N 1 0 241.419 3.199 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)[C@H]1CCCC[C@H]1C ZINC000725267152 538097751 /nfs/dbraw/zinc/09/77/51/538097751.db2.gz TWCCIXIKAHDRPA-KFWWJZLASA-N 1 0 241.419 3.201 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@H]1C ZINC000725267153 538097745 /nfs/dbraw/zinc/09/77/45/538097745.db2.gz TWCCIXIKAHDRPA-RBSFLKMASA-N 1 0 241.419 3.201 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@@H]1C ZINC000725267154 538097365 /nfs/dbraw/zinc/09/73/65/538097365.db2.gz TWCCIXIKAHDRPA-RRFJBIMHSA-N 1 0 241.419 3.201 10 0 BGAERO CCCC[NH2+]CC[C@H](CO)[C@H]1CCCC[C@@H]1C ZINC000725267156 538097382 /nfs/dbraw/zinc/09/73/82/538097382.db2.gz TWCCIXIKAHDRPA-ZNMIVQPWSA-N 1 0 241.419 3.201 10 0 BGAERO CCC(CC)[NH2+]CCc1ccccc1COC ZINC000725267230 538097835 /nfs/dbraw/zinc/09/78/35/538097835.db2.gz WMMYQLHSLXDXNN-UHFFFAOYSA-N 1 0 235.371 3.154 10 0 BGAERO COCc1ccccc1CC[NH2+]C1CCCCC1 ZINC000725267328 538098008 /nfs/dbraw/zinc/09/80/08/538098008.db2.gz ZDTFEDLONZBWCK-UHFFFAOYSA-N 1 0 247.382 3.298 10 0 BGAERO CC[C@H](C)[NH2+]C[C@@H](CCOC)c1ccccc1 ZINC000725267329 538097994 /nfs/dbraw/zinc/09/79/94/538097994.db2.gz ZFOQDDKYBGIYQC-DZGCQCFKSA-N 1 0 235.371 3.195 10 0 BGAERO CC[C@@H](C)[NH2+]C[C@H](CCOC)c1ccccc1 ZINC000725267330 538097987 /nfs/dbraw/zinc/09/79/87/538097987.db2.gz ZFOQDDKYBGIYQC-HIFRSBDPSA-N 1 0 235.371 3.195 10 0 BGAERO CC[C@@H](C)[NH2+]C[C@@H](CCOC)c1ccccc1 ZINC000725267331 538098022 /nfs/dbraw/zinc/09/80/22/538098022.db2.gz ZFOQDDKYBGIYQC-UKRRQHHQSA-N 1 0 235.371 3.195 10 0 BGAERO CC[C@H](C)[NH2+]C[C@H](CCOC)c1ccccc1 ZINC000725267332 538098277 /nfs/dbraw/zinc/09/82/77/538098277.db2.gz ZFOQDDKYBGIYQC-ZFWWWQNUSA-N 1 0 235.371 3.195 10 0 BGAERO CCCC[NH2+]C[C@H](CCOC)c1ccccc1 ZINC000725267337 538098003 /nfs/dbraw/zinc/09/80/03/538098003.db2.gz ZOKJQGONIAYFAK-HNNXBMFYSA-N 1 0 235.371 3.196 10 0 BGAERO CCCC[NH2+]C[C@@H](CCOC)c1ccccc1 ZINC000725267338 538098193 /nfs/dbraw/zinc/09/81/93/538098193.db2.gz ZOKJQGONIAYFAK-OAHLLOKOSA-N 1 0 235.371 3.196 10 0 BGAERO CCC(C)(C)[NH2+]CCc1ccccc1COC ZINC000725267346 538098542 /nfs/dbraw/zinc/09/85/42/538098542.db2.gz ZSRISTGSKUBBBN-UHFFFAOYSA-N 1 0 235.371 3.154 10 0 BGAERO CC[NH2+]CC[C@@H](CO)C1CCC(C(C)C)CC1 ZINC000725267356 538098199 /nfs/dbraw/zinc/09/81/99/538098199.db2.gz ANLOSEJXZHGAKF-NRXISQOPSA-N 1 0 241.419 3.057 10 0 BGAERO CC[NH2+]CC[C@H](CO)C1CCC(C(C)C)CC1 ZINC000725267357 538098423 /nfs/dbraw/zinc/09/84/23/538098423.db2.gz ANLOSEJXZHGAKF-YMAMQOFZSA-N 1 0 241.419 3.057 10 0 BGAERO CCC(CC)[NH2+]CC[C@@H](CO)C1CCCCC1 ZINC000725267363 538098396 /nfs/dbraw/zinc/09/83/96/538098396.db2.gz AZLJHEZNCFPYPI-AWEZNQCLSA-N 1 0 241.419 3.344 10 0 BGAERO CCC(CC)[NH2+]CC[C@H](CO)C1CCCCC1 ZINC000725267364 538098235 /nfs/dbraw/zinc/09/82/35/538098235.db2.gz AZLJHEZNCFPYPI-CQSZACIVSA-N 1 0 241.419 3.344 10 0 BGAERO CCC[NH2+]CC[C@@H](CO)[C@H]1CCCC(C)(C)C1 ZINC000725267396 538098400 /nfs/dbraw/zinc/09/84/00/538098400.db2.gz DBXPYMXTHNQOJP-KBPBESRZSA-N 1 0 241.419 3.201 10 0 BGAERO CCC[NH2+]CC[C@@H](CO)[C@@H]1CCCC(C)(C)C1 ZINC000725267397 538098221 /nfs/dbraw/zinc/09/82/21/538098221.db2.gz DBXPYMXTHNQOJP-KGLIPLIRSA-N 1 0 241.419 3.201 10 0 BGAERO CCC[NH2+]CC[C@H](CO)[C@H]1CCCC(C)(C)C1 ZINC000725267398 538098392 /nfs/dbraw/zinc/09/83/92/538098392.db2.gz DBXPYMXTHNQOJP-UONOGXRCSA-N 1 0 241.419 3.201 10 0 BGAERO CCC[NH2+]CC[C@H](CO)[C@@H]1CCCC(C)(C)C1 ZINC000725267399 538098267 /nfs/dbraw/zinc/09/82/67/538098267.db2.gz DBXPYMXTHNQOJP-ZIAGYGMSSA-N 1 0 241.419 3.201 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)[C@H]1CCCC[C@H]1C ZINC000725267448 538098130 /nfs/dbraw/zinc/09/81/30/538098130.db2.gz IDQNUSDZEMSBEQ-KFWWJZLASA-N 1 0 241.419 3.057 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@H]1C ZINC000725267449 538098086 /nfs/dbraw/zinc/09/80/86/538098086.db2.gz IDQNUSDZEMSBEQ-RBSFLKMASA-N 1 0 241.419 3.057 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)[C@@H]1CCCC[C@@H]1C ZINC000725267450 538098287 /nfs/dbraw/zinc/09/82/87/538098287.db2.gz IDQNUSDZEMSBEQ-RRFJBIMHSA-N 1 0 241.419 3.057 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)[C@H]1CCCC[C@@H]1C ZINC000725267451 538098340 /nfs/dbraw/zinc/09/83/40/538098340.db2.gz IDQNUSDZEMSBEQ-ZNMIVQPWSA-N 1 0 241.419 3.057 10 0 BGAERO CCC[NH2+]CC[C@@H](CO)C1CCC(C)(C)CC1 ZINC000725267458 538098351 /nfs/dbraw/zinc/09/83/51/538098351.db2.gz IIXFHGMNGSHKBG-AWEZNQCLSA-N 1 0 241.419 3.201 10 0 BGAERO CCC[NH2+]CC[C@H](CO)C1CCC(C)(C)CC1 ZINC000725267459 538098343 /nfs/dbraw/zinc/09/83/43/538098343.db2.gz IIXFHGMNGSHKBG-CQSZACIVSA-N 1 0 241.419 3.201 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)[C@H]1CCC[C@@H](C)C1 ZINC000725267522 538098851 /nfs/dbraw/zinc/09/88/51/538098851.db2.gz NJRSYGLYRGPMOG-QLFBSQMISA-N 1 0 241.419 3.057 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)[C@@H]1CCC[C@@H](C)C1 ZINC000725267523 538099158 /nfs/dbraw/zinc/09/91/58/538099158.db2.gz NJRSYGLYRGPMOG-RBSFLKMASA-N 1 0 241.419 3.057 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)[C@@H]1CCC[C@H](C)C1 ZINC000725267524 538099183 /nfs/dbraw/zinc/09/91/83/538099183.db2.gz NJRSYGLYRGPMOG-RRFJBIMHSA-N 1 0 241.419 3.057 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)[C@H]1CCC[C@H](C)C1 ZINC000725267525 538099127 /nfs/dbraw/zinc/09/91/27/538099127.db2.gz NJRSYGLYRGPMOG-SOUVJXGZSA-N 1 0 241.419 3.057 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]C(C)C)cc1F ZINC000725267559 538098860 /nfs/dbraw/zinc/09/88/60/538098860.db2.gz BSANXZUGFXVHIQ-UHFFFAOYSA-N 1 0 237.318 3.331 10 0 BGAERO C=C(OCC)c1ccc(F)cc1C[NH2+]CCC ZINC000725267560 538099203 /nfs/dbraw/zinc/09/92/03/538099203.db2.gz CBSJBRDNPQYKRT-UHFFFAOYSA-N 1 0 237.318 3.333 10 0 BGAERO C=C(OCC)c1ccc(C[C@@H](C)[NH2+]CC)cc1 ZINC000725267564 538098449 /nfs/dbraw/zinc/09/84/49/538098449.db2.gz DYASUSCTDVHRJW-GFCCVEGCSA-N 1 0 233.355 3.234 10 0 BGAERO C=C(OCC)c1ccc(C[C@H](C)[NH2+]CC)cc1 ZINC000725267565 538098011 /nfs/dbraw/zinc/09/80/11/538098011.db2.gz DYASUSCTDVHRJW-LBPRGKRZSA-N 1 0 233.355 3.234 10 0 BGAERO C=C(OCC)c1ccc(F)cc1C[NH2+]C1CC1 ZINC000725267566 538098536 /nfs/dbraw/zinc/09/85/36/538098536.db2.gz FDMUEJTUFBJXTQ-UHFFFAOYSA-N 1 0 235.302 3.085 10 0 BGAERO C=C(OCC)c1cccc(C[NH2+]CCC)c1F ZINC000725267568 538098299 /nfs/dbraw/zinc/09/82/99/538098299.db2.gz FQLWVOVZCRGYPX-UHFFFAOYSA-N 1 0 237.318 3.333 10 0 BGAERO C=C(OCC)c1cccc2c1CC[C@@H]2[NH2+]CC ZINC000725267575 538098207 /nfs/dbraw/zinc/09/82/07/538098207.db2.gz HOBGOFASWGSGFW-HNNXBMFYSA-N 1 0 231.339 3.291 10 0 BGAERO C=C(OCC)c1cccc2c1CC[C@H]2[NH2+]CC ZINC000725267576 538098135 /nfs/dbraw/zinc/09/81/35/538098135.db2.gz HOBGOFASWGSGFW-OAHLLOKOSA-N 1 0 231.339 3.291 10 0 BGAERO C=C(OCC)c1cccc(F)c1C[NH2+]C(C)C ZINC000725267585 538098388 /nfs/dbraw/zinc/09/83/88/538098388.db2.gz IXYRCXLFTTUDKE-UHFFFAOYSA-N 1 0 237.318 3.331 10 0 BGAERO C=C(OCC)c1cc(OC)ccc1C[NH2+]CCC ZINC000725267598 538098348 /nfs/dbraw/zinc/09/83/48/538098348.db2.gz KZDPAUDHPNAQNM-UHFFFAOYSA-N 1 0 249.354 3.202 10 0 BGAERO C=C(OCC)c1ccc(F)c(C[NH2+]CCC)c1 ZINC000725267600 538098226 /nfs/dbraw/zinc/09/82/26/538098226.db2.gz MDSDNLJFPMURCF-UHFFFAOYSA-N 1 0 237.318 3.333 10 0 BGAERO C=C(OCC)c1cccc(C[NH2+]C(C)C)c1F ZINC000725267603 538098053 /nfs/dbraw/zinc/09/80/53/538098053.db2.gz MUAGKUXFWVOTBG-UHFFFAOYSA-N 1 0 237.318 3.331 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]C2CC2)c(C)c1 ZINC000725267608 538098408 /nfs/dbraw/zinc/09/84/08/538098408.db2.gz NBPCFPLIZNKCCA-UHFFFAOYSA-N 1 0 231.339 3.254 10 0 BGAERO C=C(OCC)c1cc(C[NH2+]C2CC2)ccc1C ZINC000725267613 538098494 /nfs/dbraw/zinc/09/84/94/538098494.db2.gz OQPFHHUREAIKRU-UHFFFAOYSA-N 1 0 231.339 3.254 10 0 BGAERO C=C(OCC)c1ccc(OC)cc1C[NH2+]C(C)C ZINC000725267618 538098365 /nfs/dbraw/zinc/09/83/65/538098365.db2.gz PBITVDGKZQNDGY-UHFFFAOYSA-N 1 0 249.354 3.200 10 0 BGAERO C=C(OCC)c1cc(C[NH2+]C(C)C)ccc1F ZINC000725267620 538098203 /nfs/dbraw/zinc/09/82/03/538098203.db2.gz PRUJDBIAOXYWJR-UHFFFAOYSA-N 1 0 237.318 3.331 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]C2CC2)c(F)c1 ZINC000725267633 538098280 /nfs/dbraw/zinc/09/82/80/538098280.db2.gz RYCXXIXAZTXKTG-UHFFFAOYSA-N 1 0 235.302 3.085 10 0 BGAERO C=C(OCC)c1ccc(F)c(C[NH2+]C(C)C)c1 ZINC000725267634 538098426 /nfs/dbraw/zinc/09/84/26/538098426.db2.gz SJBOACCIVNAGNL-UHFFFAOYSA-N 1 0 237.318 3.331 10 0 BGAERO C=C(OCC)c1ccc2c(c1)CC[C@@H]2[NH2+]CC ZINC000725267636 538098031 /nfs/dbraw/zinc/09/80/31/538098031.db2.gz SSCZHNXZFMRSNP-HNNXBMFYSA-N 1 0 231.339 3.291 10 0 BGAERO C=C(OCC)c1ccc2c(c1)CC[C@H]2[NH2+]CC ZINC000725267637 538098384 /nfs/dbraw/zinc/09/83/84/538098384.db2.gz SSCZHNXZFMRSNP-OAHLLOKOSA-N 1 0 231.339 3.291 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]C2CC2)cc1C ZINC000725267638 538098080 /nfs/dbraw/zinc/09/80/80/538098080.db2.gz SSIDLPSEDXPJBF-UHFFFAOYSA-N 1 0 231.339 3.254 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]C(C)C)c(F)c1 ZINC000725267641 538098307 /nfs/dbraw/zinc/09/83/07/538098307.db2.gz TYNSBZIIXOWCMM-UHFFFAOYSA-N 1 0 237.318 3.331 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]C2CC2)cc1F ZINC000725267642 538098456 /nfs/dbraw/zinc/09/84/56/538098456.db2.gz URDKNPUOZDDTQS-UHFFFAOYSA-N 1 0 235.302 3.085 10 0 BGAERO C=C(OCC)c1ccc(F)c(C[NH2+]C2CC2)c1 ZINC000725267678 538098896 /nfs/dbraw/zinc/09/88/96/538098896.db2.gz WFOIPIATEYUYNS-UHFFFAOYSA-N 1 0 235.302 3.085 10 0 BGAERO OC[C@H](CC[NH2+]C1CCC1)C1CCCCCC1 ZINC000725267735 538099248 /nfs/dbraw/zinc/09/92/48/538099248.db2.gz UUDDZLDQGHDZGX-AWEZNQCLSA-N 1 0 239.403 3.098 10 0 BGAERO OC[C@@H](CC[NH2+]C1CCC1)C1CCCCCC1 ZINC000725267736 538098903 /nfs/dbraw/zinc/09/89/03/538098903.db2.gz UUDDZLDQGHDZGX-CQSZACIVSA-N 1 0 239.403 3.098 10 0 BGAERO CCC(C)(C)[NH2+]CC[C@@H](CO)C1CCCCC1 ZINC000725267772 538098978 /nfs/dbraw/zinc/09/89/78/538098978.db2.gz XCTVRZXSSGBERG-AWEZNQCLSA-N 1 0 241.419 3.344 10 0 BGAERO CCC(C)(C)[NH2+]CC[C@H](CO)C1CCCCC1 ZINC000725267773 538098878 /nfs/dbraw/zinc/09/88/78/538098878.db2.gz XCTVRZXSSGBERG-CQSZACIVSA-N 1 0 241.419 3.344 10 0 BGAERO CC(C)C[NH2+]CC[C@@H](CO)C1CCCCCC1 ZINC000725267801 538099106 /nfs/dbraw/zinc/09/91/06/538099106.db2.gz ZFPCSJFBZNYLJX-HNNXBMFYSA-N 1 0 241.419 3.201 10 0 BGAERO CC(C)C[NH2+]CC[C@H](CO)C1CCCCCC1 ZINC000725267802 538099188 /nfs/dbraw/zinc/09/91/88/538099188.db2.gz ZFPCSJFBZNYLJX-OAHLLOKOSA-N 1 0 241.419 3.201 10 0 BGAERO CCC[C@H]1C[C@H]2CC[C@@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000725268130 538099791 /nfs/dbraw/zinc/09/97/91/538099791.db2.gz AJXOPGVKHQSVIA-GBJTYRQASA-N 1 0 249.398 3.256 10 0 BGAERO CCC[C@@H]1C[C@H]2CC[C@@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000725268131 538099727 /nfs/dbraw/zinc/09/97/27/538099727.db2.gz AJXOPGVKHQSVIA-KBUPBQIOSA-N 1 0 249.398 3.256 10 0 BGAERO CCC[C@@H]1C[C@H]2CC[C@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000725268132 538099793 /nfs/dbraw/zinc/09/97/93/538099793.db2.gz AJXOPGVKHQSVIA-TUVASFSCSA-N 1 0 249.398 3.256 10 0 BGAERO CCC[C@H]1C[C@H]2CC[C@H]([NH+]3CCCC3)[C@@H](C1)C2=O ZINC000725268133 538099737 /nfs/dbraw/zinc/09/97/37/538099737.db2.gz AJXOPGVKHQSVIA-YJNKXOJESA-N 1 0 249.398 3.256 10 0 BGAERO C=C(OCC)c1cncc([C@@H](C)[NH2+]CCC)c1 ZINC000725268134 538099388 /nfs/dbraw/zinc/09/93/88/538099388.db2.gz BHPDIMQXSJHGRW-LLVKDONJSA-N 1 0 234.343 3.149 10 0 BGAERO C=C(OCC)c1cncc([C@H](C)[NH2+]CCC)c1 ZINC000725268135 538099730 /nfs/dbraw/zinc/09/97/30/538099730.db2.gz BHPDIMQXSJHGRW-NSHDSACASA-N 1 0 234.343 3.149 10 0 BGAERO C=C(OCC)c1cc(OC)ccc1C[NH2+]C(C)C ZINC000725268141 538100079 /nfs/dbraw/zinc/10/00/79/538100079.db2.gz BRBLPZOMNYYQKU-UHFFFAOYSA-N 1 0 249.354 3.200 10 0 BGAERO C=C(OCC)c1ccc(F)cc1C[NH2+]C(C)C ZINC000725268148 538100020 /nfs/dbraw/zinc/10/00/20/538100020.db2.gz DMBUYTJISITQIN-UHFFFAOYSA-N 1 0 237.318 3.331 10 0 BGAERO C=C(OCC)c1cccc(C[NH2+]C2CC2)c1F ZINC000725268156 538100314 /nfs/dbraw/zinc/10/03/14/538100314.db2.gz FTBNMPOEFWPAQR-UHFFFAOYSA-N 1 0 235.302 3.085 10 0 BGAERO C=C(OCC)c1ccc(C[NH2+]CCC)c(F)c1 ZINC000725268160 538100263 /nfs/dbraw/zinc/10/02/63/538100263.db2.gz HHISGFXOTUXSDT-UHFFFAOYSA-N 1 0 237.318 3.333 10 0 BGAERO C=C(OCC)c1ccc([C@@H](C)[NH2+]CCC)nc1 ZINC000725268166 538100129 /nfs/dbraw/zinc/10/01/29/538100129.db2.gz HYWRDVZPDZWAKV-LLVKDONJSA-N 1 0 234.343 3.149 10 0 BGAERO C=C(OCC)c1ccc([C@H](C)[NH2+]CCC)nc1 ZINC000725268167 538100133 /nfs/dbraw/zinc/10/01/33/538100133.db2.gz HYWRDVZPDZWAKV-NSHDSACASA-N 1 0 234.343 3.149 10 0 BGAERO C=C(OCC)c1cccc(F)c1C[NH2+]CCC ZINC000725268172 538100009 /nfs/dbraw/zinc/10/00/09/538100009.db2.gz IFYAKTMTGXMJNY-UHFFFAOYSA-N 1 0 237.318 3.333 10 0 BGAERO C=C(OCC)c1cc(F)ccc1C[NH2+]C(C)C ZINC000725268208 538100114 /nfs/dbraw/zinc/10/01/14/538100114.db2.gz MDVRMGBOEOUQCN-UHFFFAOYSA-N 1 0 237.318 3.331 10 0 BGAERO C=C(OCC)c1cc(F)ccc1C[NH2+]CCC ZINC000725268210 538100099 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538099440 /nfs/dbraw/zinc/09/94/40/538099440.db2.gz ZVOXPRQIFQRYLS-HNNXBMFYSA-N 1 0 231.339 3.291 10 0 BGAERO C=C(OCC)c1ccc2c(c1)[C@H]([NH2+]CC)CC2 ZINC000725268263 538099674 /nfs/dbraw/zinc/09/96/74/538099674.db2.gz ZVOXPRQIFQRYLS-OAHLLOKOSA-N 1 0 231.339 3.291 10 0 BGAERO CC(C)C[NH2+]CCC1CCC(F)(F)CC1 ZINC000725269114 538101372 /nfs/dbraw/zinc/10/13/72/538101372.db2.gz KXXZYWWLAQNOTP-UHFFFAOYSA-N 1 0 219.319 3.448 10 0 BGAERO CCC[NH2+]CCC1CCC(F)(F)CC1 ZINC000725269332 538101793 /nfs/dbraw/zinc/10/17/93/538101793.db2.gz RDTBPGWODMYABB-UHFFFAOYSA-N 1 0 205.292 3.202 10 0 BGAERO CC[C@@H](C)C[NH2+]CC1(OC)CCCCCC1 ZINC000725269953 538101830 /nfs/dbraw/zinc/10/18/30/538101830.db2.gz ASHRHJCVKZVMCG-CYBMUJFWSA-N 1 0 227.392 3.362 10 0 BGAERO CC[C@H](C)C[NH2+]CC1(OC)CCCCCC1 ZINC000725269955 538101824 /nfs/dbraw/zinc/10/18/24/538101824.db2.gz ASHRHJCVKZVMCG-ZDUSSCGKSA-N 1 0 227.392 3.362 10 0 BGAERO COC1(C[NH2+]CCC(C)C)CCCCCC1 ZINC000725270348 538102210 /nfs/dbraw/zinc/10/22/10/538102210.db2.gz HROFFMIVIZKXSP-UHFFFAOYSA-N 1 0 227.392 3.362 10 0 BGAERO CCC[C@H](C)C(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725270656 538102726 /nfs/dbraw/zinc/10/27/26/538102726.db2.gz CMCLYLNZJZVIDD-GWCFXTLKSA-N 1 0 246.354 3.007 10 0 BGAERO CCC[C@H](C)C(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725270660 538102529 /nfs/dbraw/zinc/10/25/29/538102529.db2.gz CMCLYLNZJZVIDD-GXFFZTMASA-N 1 0 246.354 3.007 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1cccc2c1CC[C@@H]2[NH3+] ZINC000725270662 538102511 /nfs/dbraw/zinc/10/25/11/538102511.db2.gz CMCLYLNZJZVIDD-MFKMUULPSA-N 1 0 246.354 3.007 10 0 BGAERO CCC[C@@H](C)C(=O)Nc1cccc2c1CC[C@H]2[NH3+] ZINC000725270664 538102757 /nfs/dbraw/zinc/10/27/57/538102757.db2.gz CMCLYLNZJZVIDD-ZWNOBZJWSA-N 1 0 246.354 3.007 10 0 BGAERO CCCc1ccc(-c2ccc(C[NH3+])c(F)n2)cc1 ZINC000725271465 538103001 /nfs/dbraw/zinc/10/30/01/538103001.db2.gz FVYVQIFNPMUYLH-UHFFFAOYSA-N 1 0 244.313 3.299 10 0 BGAERO Cc1ccc(C2=CC[C@](C)([NH3+])CC2)cc1F ZINC000725271719 541340012 /nfs/dbraw/zinc/34/00/12/541340012.db2.gz AZDQLLJGLGTNIH-AWEZNQCLSA-N 1 0 219.303 3.419 10 0 BGAERO Cc1ccc(C2=CC[C@@](C)([NH3+])CC2)cc1F ZINC000725271720 541339962 /nfs/dbraw/zinc/33/99/62/541339962.db2.gz AZDQLLJGLGTNIH-CQSZACIVSA-N 1 0 219.303 3.419 10 0 BGAERO Cc1cc(C=O)ccc1C1=CC[C@](C)([NH3+])CC1 ZINC000725271816 538103933 /nfs/dbraw/zinc/10/39/33/538103933.db2.gz CPZNSTMECWLYAL-HNNXBMFYSA-N 1 0 229.323 3.092 10 0 BGAERO Cc1cc(C=O)ccc1C1=CC[C@@](C)([NH3+])CC1 ZINC000725271817 538103851 /nfs/dbraw/zinc/10/38/51/538103851.db2.gz CPZNSTMECWLYAL-OAHLLOKOSA-N 1 0 229.323 3.092 10 0 BGAERO CC(C)[NH2+]CC1CCC(Nc2ccccn2)CC1 ZINC000725272019 538103917 /nfs/dbraw/zinc/10/39/17/538103917.db2.gz LSHNEGVFJBRORY-UHFFFAOYSA-N 1 0 247.386 3.050 10 0 BGAERO Cc1cc(C2=CC[C@@](C)([NH3+])CC2)cs1 ZINC000725272141 538103911 /nfs/dbraw/zinc/10/39/11/538103911.db2.gz HTMYEDOTUSOVSQ-GFCCVEGCSA-N 1 0 207.342 3.341 10 0 BGAERO Cc1cc(C2=CC[C@](C)([NH3+])CC2)cs1 ZINC000725272142 538103984 /nfs/dbraw/zinc/10/39/84/538103984.db2.gz HTMYEDOTUSOVSQ-LBPRGKRZSA-N 1 0 207.342 3.341 10 0 BGAERO C[C@@]1([NH3+])CC=C(c2ccccc2F)CC1 ZINC000725272219 538103643 /nfs/dbraw/zinc/10/36/43/538103643.db2.gz IOYHCXPCNVHOLF-CYBMUJFWSA-N 1 0 205.276 3.110 10 0 BGAERO C[C@]1([NH3+])CC=C(c2ccccc2F)CC1 ZINC000725272220 538103699 /nfs/dbraw/zinc/10/36/99/538103699.db2.gz IOYHCXPCNVHOLF-ZDUSSCGKSA-N 1 0 205.276 3.110 10 0 BGAERO CCC(C)(C)[NH2+]CC12CCC(C)(CC1)OC2 ZINC000725272531 538104233 /nfs/dbraw/zinc/10/42/33/538104233.db2.gz OROIYCOFASLHHU-UHFFFAOYSA-N 1 0 225.376 3.114 10 0 BGAERO Cc1sccc1C1=CC[C@@](C)([NH3+])CC1 ZINC000725272802 538104369 /nfs/dbraw/zinc/10/43/69/538104369.db2.gz QVQOEKLZSVOWSM-GFCCVEGCSA-N 1 0 207.342 3.341 10 0 BGAERO Cc1sccc1C1=CC[C@](C)([NH3+])CC1 ZINC000725272803 538104363 /nfs/dbraw/zinc/10/43/63/538104363.db2.gz QVQOEKLZSVOWSM-LBPRGKRZSA-N 1 0 207.342 3.341 10 0 BGAERO COc1cc(F)cc(C2=CC[C@](C)([NH3+])CC2)c1 ZINC000725272938 541340835 /nfs/dbraw/zinc/34/08/35/541340835.db2.gz UOEWPOJPIZEYDT-AWEZNQCLSA-N 1 0 235.302 3.119 10 0 BGAERO COc1cc(F)cc(C2=CC[C@@](C)([NH3+])CC2)c1 ZINC000725272941 541340776 /nfs/dbraw/zinc/34/07/76/541340776.db2.gz UOEWPOJPIZEYDT-CQSZACIVSA-N 1 0 235.302 3.119 10 0 BGAERO CCC(CC)[NH2+]CC12CCC(C)(CC1)OC2 ZINC000725273213 538104868 /nfs/dbraw/zinc/10/48/68/538104868.db2.gz XMBWWMWENULYRC-UHFFFAOYSA-N 1 0 225.376 3.114 10 0 BGAERO C[C@@]1([NH3+])CC=C(c2cccc(F)c2)CC1 ZINC000725273216 538104706 /nfs/dbraw/zinc/10/47/06/538104706.db2.gz XQVRQAKONRNIOJ-CYBMUJFWSA-N 1 0 205.276 3.110 10 0 BGAERO C[C@]1([NH3+])CC=C(c2cccc(F)c2)CC1 ZINC000725273217 538104784 /nfs/dbraw/zinc/10/47/84/538104784.db2.gz XQVRQAKONRNIOJ-ZDUSSCGKSA-N 1 0 205.276 3.110 10 0 BGAERO CC(C)C[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273730 538104878 /nfs/dbraw/zinc/10/48/78/538104878.db2.gz YGMYBGGYDWISJK-UHFFFAOYSA-N 1 0 239.403 3.360 10 0 BGAERO CC1(C)CC2(CO1)CCC([NH2+]C1CCC1)CC2 ZINC000725273745 538104841 /nfs/dbraw/zinc/10/48/41/538104841.db2.gz YXIPOXNRNOAUDK-UHFFFAOYSA-N 1 0 237.387 3.256 10 0 BGAERO CCC[NH2+]C1CCC2(COC(C)(C)C2)CC1 ZINC000725273752 538105048 /nfs/dbraw/zinc/10/50/48/538105048.db2.gz ZPHMPMRPRXXZON-UHFFFAOYSA-N 1 0 225.376 3.114 10 0 BGAERO c1ccc(C[NH2+][C@H]2CCCc3cnccc32)cc1 ZINC000725702420 711674913 /nfs/dbraw/zinc/67/49/13/711674913.db2.gz NNPZTWVFMOTGRT-INIZCTEOSA-N 1 0 238.334 3.249 10 0 BGAERO C[C@@H](CNc1cccc2ccsc21)[NH+](C)C ZINC000757123003 582498243 /nfs/dbraw/zinc/49/82/43/582498243.db2.gz QKJUYBQWEYVSJG-JTQLQIEISA-N 1 0 234.368 3.263 10 0 BGAERO C[C@H](CNc1cccc2ccsc21)[NH+](C)C ZINC000757123011 582498252 /nfs/dbraw/zinc/49/82/52/582498252.db2.gz QKJUYBQWEYVSJG-SNVBAGLBSA-N 1 0 234.368 3.263 10 0 BGAERO CCCC[NH2+]Cc1ccc2c(ccn2C)c1 ZINC000757123767 582498182 /nfs/dbraw/zinc/49/81/82/582498182.db2.gz APGPJZDWCKWXFE-UHFFFAOYSA-N 1 0 216.328 3.068 10 0 BGAERO CC(C)CCOc1ccc([C@H]([NH3+])CF)cc1 ZINC000757132522 582507261 /nfs/dbraw/zinc/50/72/61/582507261.db2.gz BIDJNCPUNDWTCM-CYBMUJFWSA-N 1 0 225.307 3.081 10 0 BGAERO CC(C)CCOc1ccc([C@@H]([NH3+])CF)cc1 ZINC000757132523 582507169 /nfs/dbraw/zinc/50/71/69/582507169.db2.gz BIDJNCPUNDWTCM-ZDUSSCGKSA-N 1 0 225.307 3.081 10 0 BGAERO Cc1cc([C@H]([NH3+])CC(C)C)c(C)c(C)c1O ZINC000757133340 582509903 /nfs/dbraw/zinc/50/99/03/582509903.db2.gz QGNALLSYSYUKSB-CYBMUJFWSA-N 1 0 221.344 3.363 10 0 BGAERO Cc1cc([C@@H]([NH3+])CC(C)C)c(C)c(C)c1O ZINC000757133342 582509586 /nfs/dbraw/zinc/50/95/86/582509586.db2.gz QGNALLSYSYUKSB-ZDUSSCGKSA-N 1 0 221.344 3.363 10 0 BGAERO Cc1cc(O)c(C(C)(C)C)cc1[C@@H]([NH3+])C1CC1 ZINC000757133428 582509684 /nfs/dbraw/zinc/50/96/84/582509684.db2.gz RDOYARLQMYIKGK-AWEZNQCLSA-N 1 0 233.355 3.408 10 0 BGAERO Cc1cc(O)c(C(C)(C)C)cc1[C@H]([NH3+])C1CC1 ZINC000757133438 582509943 /nfs/dbraw/zinc/50/99/43/582509943.db2.gz RDOYARLQMYIKGK-CQSZACIVSA-N 1 0 233.355 3.408 10 0 BGAERO Cc1cc([C@@H]([NH3+])C(C)(C)C)c(C)c(C)c1O ZINC000757133537 582509560 /nfs/dbraw/zinc/50/95/60/582509560.db2.gz SGDXJHXRXKOLPU-CYBMUJFWSA-N 1 0 221.344 3.363 10 0 BGAERO Cc1cc([C@H]([NH3+])C(C)(C)C)c(C)c(C)c1O ZINC000757133539 586427111 /nfs/dbraw/zinc/42/71/11/586427111.db2.gz SGDXJHXRXKOLPU-ZDUSSCGKSA-N 1 0 221.344 3.363 10 0 BGAERO CCCCCOc1ccc([C@H]([NH3+])CF)cc1 ZINC000757134916 582513253 /nfs/dbraw/zinc/51/32/53/582513253.db2.gz QFBPPADAWFGQCC-CYBMUJFWSA-N 1 0 225.307 3.225 10 0 BGAERO CCCCCOc1ccc([C@@H]([NH3+])CF)cc1 ZINC000757134919 582513130 /nfs/dbraw/zinc/51/31/30/582513130.db2.gz QFBPPADAWFGQCC-ZDUSSCGKSA-N 1 0 225.307 3.225 10 0 BGAERO [NH3+]Cc1ccccc1Nc1cc2ccccc2[nH]1 ZINC000757136939 643282364 /nfs/dbraw/zinc/28/23/64/643282364.db2.gz UIOJHYZAHZZKLA-UHFFFAOYSA-N 1 0 237.306 3.370 10 0 BGAERO CC[C@@H]1CC[NH2+]C2(CCC(C)(C)CC2)O1 ZINC000757138039 582516610 /nfs/dbraw/zinc/51/66/10/582516610.db2.gz AIFZJUKXNMNUQA-LLVKDONJSA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@H]1CC[NH2+]C2(CCC(C)(C)CC2)O1 ZINC000757138042 582516631 /nfs/dbraw/zinc/51/66/31/582516631.db2.gz AIFZJUKXNMNUQA-NSHDSACASA-N 1 0 211.349 3.071 10 0 BGAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757138059 586426955 /nfs/dbraw/zinc/42/69/55/586426955.db2.gz AJRHAOIFLDTLRO-GXTWGEPZSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@H]1CCC[C@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757138063 586427942 /nfs/dbraw/zinc/42/79/42/586427942.db2.gz AJRHAOIFLDTLRO-JSGCOSHPSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@@H]1CCC[C@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757138066 582516702 /nfs/dbraw/zinc/51/67/02/582516702.db2.gz AJRHAOIFLDTLRO-OCCSQVGLSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757138068 586427780 /nfs/dbraw/zinc/42/77/80/586427780.db2.gz AJRHAOIFLDTLRO-TZMCWYRMSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@H]1CC[NH2+]C2(CCC(C(C)(C)C)CC2)O1 ZINC000757138080 586427401 /nfs/dbraw/zinc/42/74/01/586427401.db2.gz AKOYSUKILHJXPP-DCBWTQNWSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@@H]1CC[NH2+]C2(CCC(C(C)(C)C)CC2)O1 ZINC000757138083 582516505 /nfs/dbraw/zinc/51/65/05/582516505.db2.gz AKOYSUKILHJXPP-LKSINWNRSA-N 1 0 225.376 3.317 10 0 BGAERO CCC1(CC)[NH2+]CC(C)(C)[C@@H](C(C)C)O1 ZINC000757138094 582517137 /nfs/dbraw/zinc/51/71/37/582517137.db2.gz ANWVXFBBYRPYBM-LLVKDONJSA-N 1 0 213.365 3.173 10 0 BGAERO CCC1(CC)[NH2+]CC(C)(C)[C@H](C(C)C)O1 ZINC000757138096 582517253 /nfs/dbraw/zinc/51/72/53/582517253.db2.gz ANWVXFBBYRPYBM-NSHDSACASA-N 1 0 213.365 3.173 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757138182 582517230 /nfs/dbraw/zinc/51/72/30/582517230.db2.gz BAIBYBODVDETOV-FUUBYGMNSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757138186 582517213 /nfs/dbraw/zinc/51/72/13/582517213.db2.gz BAIBYBODVDETOV-GQKFXUNGSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757138188 582517108 /nfs/dbraw/zinc/51/71/08/582517108.db2.gz BAIBYBODVDETOV-PIOWNMBXSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757138189 582517028 /nfs/dbraw/zinc/51/70/28/582517028.db2.gz BAIBYBODVDETOV-RAFNIBEQSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)[C@H]1[NH2+]C2(CCCCC2)OCC12CCC2 ZINC000757138273 586427823 /nfs/dbraw/zinc/42/78/23/586427823.db2.gz AXERKKRTSIWBQB-CYBMUJFWSA-N 1 0 237.387 3.462 10 0 BGAERO CC(C)[C@@H]1[NH2+]C2(CCCCC2)OCC12CCC2 ZINC000757138274 586427869 /nfs/dbraw/zinc/42/78/69/586427869.db2.gz AXERKKRTSIWBQB-ZDUSSCGKSA-N 1 0 237.387 3.462 10 0 BGAERO CCC1(CC)CC[NH2+][C@@]2(CCC(C)(C)C2)O1 ZINC000757138291 582517353 /nfs/dbraw/zinc/51/73/53/582517353.db2.gz BDFPUIVTKRPBGI-AWEZNQCLSA-N 1 0 225.376 3.462 10 0 BGAERO CCC1(CC)CC[NH2+][C@]2(CCC(C)(C)C2)O1 ZINC000757138292 582517431 /nfs/dbraw/zinc/51/74/31/582517431.db2.gz BDFPUIVTKRPBGI-CQSZACIVSA-N 1 0 225.376 3.462 10 0 BGAERO C[C@@H]1CC[NH2+]C2(CC(C)(C)CC(C)(C)C2)O1 ZINC000757138349 582517052 /nfs/dbraw/zinc/51/70/52/582517052.db2.gz BYMWDYNQAYERLG-LLVKDONJSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@H]1CC[NH2+]C2(CC(C)(C)CC(C)(C)C2)O1 ZINC000757138351 582517250 /nfs/dbraw/zinc/51/72/50/582517250.db2.gz BYMWDYNQAYERLG-NSHDSACASA-N 1 0 225.376 3.317 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757138354 582518042 /nfs/dbraw/zinc/51/80/42/582518042.db2.gz BZQKMZNCZDHLEH-NEPJUHHUSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757138356 582517814 /nfs/dbraw/zinc/51/78/14/582517814.db2.gz BZQKMZNCZDHLEH-NWDGAFQWSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757138357 582518030 /nfs/dbraw/zinc/51/80/30/582518030.db2.gz BZQKMZNCZDHLEH-RYUDHWBXSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757138359 582518004 /nfs/dbraw/zinc/51/80/04/582518004.db2.gz BZQKMZNCZDHLEH-VXGBXAGGSA-N 1 0 223.360 3.071 10 0 BGAERO FC1(F)CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757138562 582517717 /nfs/dbraw/zinc/51/77/17/582517717.db2.gz CJLVAIVYSKUJLH-GHMZBOCLSA-N 1 0 245.313 3.071 10 0 BGAERO FC1(F)CCC2(CC1)[NH2+][C@H]1CCCC[C@@H]1CO2 ZINC000757138563 582518034 /nfs/dbraw/zinc/51/80/34/582518034.db2.gz CJLVAIVYSKUJLH-MNOVXSKESA-N 1 0 245.313 3.071 10 0 BGAERO FC1(F)CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757138564 582518164 /nfs/dbraw/zinc/51/81/64/582518164.db2.gz CJLVAIVYSKUJLH-QWRGUYRKSA-N 1 0 245.313 3.071 10 0 BGAERO FC1(F)CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757138565 582517993 /nfs/dbraw/zinc/51/79/93/582517993.db2.gz CJLVAIVYSKUJLH-WDEREUQCSA-N 1 0 245.313 3.071 10 0 BGAERO CCCC1(CCC)[NH2+][C@H](C)C2(CC2)CO1 ZINC000757138566 582517915 /nfs/dbraw/zinc/51/79/15/582517915.db2.gz CAMFLQVCYLNFNZ-LLVKDONJSA-N 1 0 211.349 3.071 10 0 BGAERO CCCC1(CCC)[NH2+][C@@H](C)C2(CC2)CO1 ZINC000757138569 582517922 /nfs/dbraw/zinc/51/79/22/582517922.db2.gz CAMFLQVCYLNFNZ-NSHDSACASA-N 1 0 211.349 3.071 10 0 BGAERO CCC[C@@H]1CCOC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757138586 582518199 /nfs/dbraw/zinc/51/81/99/582518199.db2.gz COMMRJSYKMYLGA-GFCCVEGCSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@H]1CCOC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757138588 582517877 /nfs/dbraw/zinc/51/78/77/582517877.db2.gz COMMRJSYKMYLGA-LBPRGKRZSA-N 1 0 225.376 3.462 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757138651 582518512 /nfs/dbraw/zinc/51/85/12/582518512.db2.gz CVCLVKRPHOKFFW-UHFFFAOYSA-N 1 0 223.360 3.073 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757138678 582518338 /nfs/dbraw/zinc/51/83/38/582518338.db2.gz DAVJSONOCLNLEO-HNNXBMFYSA-N 1 0 237.387 3.463 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757138679 582518478 /nfs/dbraw/zinc/51/84/78/582518478.db2.gz DAVJSONOCLNLEO-OAHLLOKOSA-N 1 0 237.387 3.463 10 0 BGAERO CC(C)[C@H]1[NH2+]C2(CC(C)(C)C2)OCC12CCC2 ZINC000757138804 582518451 /nfs/dbraw/zinc/51/84/51/582518451.db2.gz DSSJCUCRWMRHIB-GFCCVEGCSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)[C@@H]1[NH2+]C2(CC(C)(C)C2)OCC12CCC2 ZINC000757138819 582518317 /nfs/dbraw/zinc/51/83/17/582518317.db2.gz DSSJCUCRWMRHIB-LBPRGKRZSA-N 1 0 237.387 3.317 10 0 BGAERO CCC1(CC)[NH2+][C@H](C(C)C)C2(CCC2)CO1 ZINC000757138869 582518738 /nfs/dbraw/zinc/51/87/38/582518738.db2.gz DWYYVAJEPBHNRS-GFCCVEGCSA-N 1 0 225.376 3.317 10 0 BGAERO CCC1(CC)[NH2+][C@@H](C(C)C)C2(CCC2)CO1 ZINC000757138871 582518407 /nfs/dbraw/zinc/51/84/07/582518407.db2.gz DWYYVAJEPBHNRS-LBPRGKRZSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)(C)[C@H]1CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757138945 582518661 /nfs/dbraw/zinc/51/86/61/582518661.db2.gz ABIYPBOMRYYTRC-BXUZGUMPSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)(C)[C@@H]1CCO[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757138946 582518569 /nfs/dbraw/zinc/51/85/69/582518569.db2.gz ABIYPBOMRYYTRC-FZMZJTMJSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)(C)[C@H]1CCO[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757138947 582518710 /nfs/dbraw/zinc/51/87/10/582518710.db2.gz ABIYPBOMRYYTRC-RISCZKNCSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)(C)[C@@H]1CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757138948 582518350 /nfs/dbraw/zinc/51/83/50/582518350.db2.gz ABIYPBOMRYYTRC-SMDDNHRTSA-N 1 0 225.376 3.317 10 0 BGAERO CC1(C)CCC[C@@]2(C1)[NH2+][C@H](C1CC1)CCO2 ZINC000757138982 582518263 /nfs/dbraw/zinc/51/82/63/582518263.db2.gz DWLJXGLVCPJAGN-GXTWGEPZSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC[C@]2(C1)[NH2+][C@H](C1CC1)CCO2 ZINC000757138983 582518600 /nfs/dbraw/zinc/51/86/00/582518600.db2.gz DWLJXGLVCPJAGN-JSGCOSHPSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC[C@]2(C1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757138984 582518504 /nfs/dbraw/zinc/51/85/04/582518504.db2.gz DWLJXGLVCPJAGN-OCCSQVGLSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC[C@@]2(C1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757138985 582518602 /nfs/dbraw/zinc/51/86/02/582518602.db2.gz DWLJXGLVCPJAGN-TZMCWYRMSA-N 1 0 223.360 3.071 10 0 BGAERO COc1ccc([C@@H]2CCOC3(CCCC3)[NH2+]2)cc1 ZINC000757138994 582518627 /nfs/dbraw/zinc/51/86/27/582518627.db2.gz BTFYYKNUJQDPTC-AWEZNQCLSA-N 1 0 247.338 3.017 10 0 BGAERO COc1ccc([C@H]2CCOC3(CCCC3)[NH2+]2)cc1 ZINC000757138995 582518633 /nfs/dbraw/zinc/51/86/33/582518633.db2.gz BTFYYKNUJQDPTC-CQSZACIVSA-N 1 0 247.338 3.017 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757139105 582519006 /nfs/dbraw/zinc/51/90/06/582519006.db2.gz FTYUFGBASNLSFD-AKJDGMEZSA-N 1 0 247.329 3.173 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757139115 582519246 /nfs/dbraw/zinc/51/92/46/582519246.db2.gz FTYUFGBASNLSFD-QWKFWESOSA-N 1 0 247.329 3.173 10 0 BGAERO CC(C)[C@H]1OC2(CCCCC2)[NH2+]CC1(C)C ZINC000757139124 582519204 /nfs/dbraw/zinc/51/92/04/582519204.db2.gz FOBZSVZWJKHDBO-GFCCVEGCSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@@H]1OC2(CCCCC2)[NH2+]CC1(C)C ZINC000757139126 582518827 /nfs/dbraw/zinc/51/88/27/582518827.db2.gz FOBZSVZWJKHDBO-LBPRGKRZSA-N 1 0 225.376 3.317 10 0 BGAERO c1ccc(C2CCC3(CC2)[NH2+]CCCO3)cc1 ZINC000757139131 582519054 /nfs/dbraw/zinc/51/90/54/582519054.db2.gz DIGSOGJNWKKLBP-UHFFFAOYSA-N 1 0 231.339 3.050 10 0 BGAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757139139 582519948 /nfs/dbraw/zinc/51/99/48/582519948.db2.gz FQDGHPSKODEYSQ-CHWSQXEVSA-N 1 0 237.387 3.319 10 0 BGAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757139143 582519663 /nfs/dbraw/zinc/51/96/63/582519663.db2.gz FQDGHPSKODEYSQ-NHAGDIPZSA-N 1 0 237.387 3.319 10 0 BGAERO C[C@H]1C[C@H](C)CC2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757139158 582519648 /nfs/dbraw/zinc/51/96/48/582519648.db2.gz FQDGHPSKODEYSQ-STQMWFEESA-N 1 0 237.387 3.319 10 0 BGAERO CCC1(CC)[NH2+][C@H](c2ccc(OC)cc2)CCO1 ZINC000757139194 582519496 /nfs/dbraw/zinc/51/94/96/582519496.db2.gz DWJADEQZUQZVQG-AWEZNQCLSA-N 1 0 249.354 3.263 10 0 BGAERO CCC1(CC)[NH2+][C@@H](c2ccc(OC)cc2)CCO1 ZINC000757139197 582519511 /nfs/dbraw/zinc/51/95/11/582519511.db2.gz DWJADEQZUQZVQG-CQSZACIVSA-N 1 0 249.354 3.263 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757139243 582519441 /nfs/dbraw/zinc/51/94/41/582519441.db2.gz FUURCWDFFBURFY-DOMZBBRYSA-N 1 0 237.387 3.319 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757139260 582519871 /nfs/dbraw/zinc/51/98/71/582519871.db2.gz FUURCWDFFBURFY-IUODEOHRSA-N 1 0 237.387 3.319 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757139264 582519912 /nfs/dbraw/zinc/51/99/12/582519912.db2.gz FUURCWDFFBURFY-SWLSCSKDSA-N 1 0 237.387 3.319 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757139271 582519866 /nfs/dbraw/zinc/51/98/66/582519866.db2.gz FUURCWDFFBURFY-WFASDCNBSA-N 1 0 237.387 3.319 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@H]1CCCC[C@@H]1CO2 ZINC000757139285 582519322 /nfs/dbraw/zinc/51/93/22/582519322.db2.gz FXAUNCXQRLBINP-FUUBYGMNSA-N 1 0 237.387 3.462 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757139288 582519114 /nfs/dbraw/zinc/51/91/14/582519114.db2.gz FXAUNCXQRLBINP-GQKFXUNGSA-N 1 0 237.387 3.462 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757139291 582519298 /nfs/dbraw/zinc/51/92/98/582519298.db2.gz FXAUNCXQRLBINP-PIOWNMBXSA-N 1 0 237.387 3.462 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757139295 582518972 /nfs/dbraw/zinc/51/89/72/582518972.db2.gz FXAUNCXQRLBINP-RAFNIBEQSA-N 1 0 237.387 3.462 10 0 BGAERO C1CC1[C@H]1CCOC2(CCCCCCC2)[NH2+]1 ZINC000757139306 582519265 /nfs/dbraw/zinc/51/92/65/582519265.db2.gz GBYZKFWGSUJDFJ-CYBMUJFWSA-N 1 0 223.360 3.216 10 0 BGAERO C1CC1[C@@H]1CCOC2(CCCCCCC2)[NH2+]1 ZINC000757139311 582518968 /nfs/dbraw/zinc/51/89/68/582518968.db2.gz GBYZKFWGSUJDFJ-ZDUSSCGKSA-N 1 0 223.360 3.216 10 0 BGAERO CCC[C@H]1CCO[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757139346 582519540 /nfs/dbraw/zinc/51/95/40/582519540.db2.gz GOYHJOFHVGHCFS-AAEUAGOBSA-N 1 0 211.349 3.071 10 0 BGAERO CCC[C@@H]1CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757139351 582519755 /nfs/dbraw/zinc/51/97/55/582519755.db2.gz GOYHJOFHVGHCFS-DGCLKSJQSA-N 1 0 211.349 3.071 10 0 BGAERO CCC[C@H]1CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757139352 582519946 /nfs/dbraw/zinc/51/99/46/582519946.db2.gz GOYHJOFHVGHCFS-WCQYABFASA-N 1 0 211.349 3.071 10 0 BGAERO CCC[C@@H]1CCO[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757139354 582519304 /nfs/dbraw/zinc/51/93/04/582519304.db2.gz GOYHJOFHVGHCFS-YPMHNXCESA-N 1 0 211.349 3.071 10 0 BGAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139371 582519817 /nfs/dbraw/zinc/51/98/17/582519817.db2.gz HAQFVSCCLYEDJH-BXUZGUMPSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@H]1CCC[C@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139376 582519432 /nfs/dbraw/zinc/51/94/32/582519432.db2.gz HAQFVSCCLYEDJH-FZMZJTMJSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@@H]1CCC[C@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139378 582519429 /nfs/dbraw/zinc/51/94/29/582519429.db2.gz HAQFVSCCLYEDJH-RISCZKNCSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757139381 582519543 /nfs/dbraw/zinc/51/95/43/582519543.db2.gz HAQFVSCCLYEDJH-SMDDNHRTSA-N 1 0 225.376 3.317 10 0 BGAERO CC1(C)C[NH2+][C@@]2(CCCC(C)(C)CC2)OC1 ZINC000757139565 586427378 /nfs/dbraw/zinc/42/73/78/586427378.db2.gz GLDXTNPPKPSQGM-AWEZNQCLSA-N 1 0 225.376 3.319 10 0 BGAERO CC1(C)C[NH2+][C@]2(CCCC(C)(C)CC2)OC1 ZINC000757139569 586427632 /nfs/dbraw/zinc/42/76/32/586427632.db2.gz GLDXTNPPKPSQGM-CQSZACIVSA-N 1 0 225.376 3.319 10 0 BGAERO c1ccc([C@H]2CCOC3(CCCC3)[NH2+]2)cc1 ZINC000757139589 582519697 /nfs/dbraw/zinc/51/96/97/582519697.db2.gz GXLGWHCXLSZAKF-CYBMUJFWSA-N 1 0 217.312 3.008 10 0 BGAERO c1ccc([C@@H]2CCOC3(CCCC3)[NH2+]2)cc1 ZINC000757139591 582519472 /nfs/dbraw/zinc/51/94/72/582519472.db2.gz GXLGWHCXLSZAKF-ZDUSSCGKSA-N 1 0 217.312 3.008 10 0 BGAERO CC[C@H]1CC[NH2+][C@]2(CCCC(C)(C)CC2)O1 ZINC000757139821 582520128 /nfs/dbraw/zinc/52/01/28/582520128.db2.gz IBZFCBZDMODVAX-GXTWGEPZSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@H]1CC[NH2+][C@@]2(CCCC(C)(C)CC2)O1 ZINC000757139823 582520405 /nfs/dbraw/zinc/52/04/05/582520405.db2.gz IBZFCBZDMODVAX-JSGCOSHPSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@]2(CCCC(C)(C)CC2)O1 ZINC000757139824 582520287 /nfs/dbraw/zinc/52/02/87/582520287.db2.gz IBZFCBZDMODVAX-OCCSQVGLSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@@H]1CC[NH2+][C@]2(CCCC(C)(C)CC2)O1 ZINC000757139825 582520486 /nfs/dbraw/zinc/52/04/86/582520486.db2.gz IBZFCBZDMODVAX-TZMCWYRMSA-N 1 0 225.376 3.462 10 0 BGAERO CC1(C)CCC[C@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757139841 582520147 /nfs/dbraw/zinc/52/01/47/582520147.db2.gz IKCUZDTZDWVHDD-HNNXBMFYSA-N 1 0 237.387 3.463 10 0 BGAERO CC1(C)CCC[C@@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757139845 582520052 /nfs/dbraw/zinc/52/00/52/582520052.db2.gz IKCUZDTZDWVHDD-OAHLLOKOSA-N 1 0 237.387 3.463 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757139885 586427556 /nfs/dbraw/zinc/42/75/56/586427556.db2.gz IOOPQCVFLKQTBG-UHFFFAOYSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@@H]1CC(C)(C)O[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757139886 586427427 /nfs/dbraw/zinc/42/74/27/586427427.db2.gz AAUJIPJSUSMUFT-BXUZGUMPSA-N 1 0 225.376 3.460 10 0 BGAERO C[C@H]1CC(C)(C)O[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757139891 586427518 /nfs/dbraw/zinc/42/75/18/586427518.db2.gz AAUJIPJSUSMUFT-FZMZJTMJSA-N 1 0 225.376 3.460 10 0 BGAERO C[C@@H]1CC(C)(C)O[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757139898 582520221 /nfs/dbraw/zinc/52/02/21/582520221.db2.gz AAUJIPJSUSMUFT-RISCZKNCSA-N 1 0 225.376 3.460 10 0 BGAERO CCC1(CC)OC2(CCC2)[NH2+]CC1(C)C ZINC000757139900 582520313 /nfs/dbraw/zinc/52/03/13/582520313.db2.gz HYVAOFQJSRGIIE-UHFFFAOYSA-N 1 0 211.349 3.071 10 0 BGAERO C[C@H]1CC(C)(C)O[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757139916 582520583 /nfs/dbraw/zinc/52/05/83/582520583.db2.gz AAUJIPJSUSMUFT-SMDDNHRTSA-N 1 0 225.376 3.460 10 0 BGAERO CC[C@]1(C)CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757139965 582520235 /nfs/dbraw/zinc/52/02/35/582520235.db2.gz AEZJHKCJTKNQBY-CHWSQXEVSA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@]1(C)CCO[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757139970 582520367 /nfs/dbraw/zinc/52/03/67/582520367.db2.gz AEZJHKCJTKNQBY-OLZOCXBDSA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@@]1(C)CCO[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757139971 582520500 /nfs/dbraw/zinc/52/05/00/582520500.db2.gz AEZJHKCJTKNQBY-QWHCGFSZSA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@@]1(C)CCO[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757139981 582520363 /nfs/dbraw/zinc/52/03/63/582520363.db2.gz AEZJHKCJTKNQBY-STQMWFEESA-N 1 0 211.349 3.071 10 0 BGAERO CC(C)(C)[C@H]1CCOC2(CCCCC2)[NH2+]1 ZINC000757140004 582520177 /nfs/dbraw/zinc/52/01/77/582520177.db2.gz KFJPRZBBIRRUCX-LLVKDONJSA-N 1 0 211.349 3.071 10 0 BGAERO CC(C)(C)[C@@H]1CCOC2(CCCCC2)[NH2+]1 ZINC000757140014 582520513 /nfs/dbraw/zinc/52/05/13/582520513.db2.gz KFJPRZBBIRRUCX-NSHDSACASA-N 1 0 211.349 3.071 10 0 BGAERO C[C@H]1CC[NH2+][C@@]2(CCCC(C)(C)CC2)O1 ZINC000757140028 582520245 /nfs/dbraw/zinc/52/02/45/582520245.db2.gz JAOLIAUPUVDTKR-AAEUAGOBSA-N 1 0 211.349 3.071 10 0 BGAERO C[C@@H]1CC[NH2+][C@]2(CCCC(C)(C)CC2)O1 ZINC000757140035 582520153 /nfs/dbraw/zinc/52/01/53/582520153.db2.gz JAOLIAUPUVDTKR-DGCLKSJQSA-N 1 0 211.349 3.071 10 0 BGAERO C[C@H]1CC[NH2+][C@]2(CCCC(C)(C)CC2)O1 ZINC000757140044 582520161 /nfs/dbraw/zinc/52/01/61/582520161.db2.gz JAOLIAUPUVDTKR-WCQYABFASA-N 1 0 211.349 3.071 10 0 BGAERO C[C@@H]1CC[NH2+][C@@]2(CCCC(C)(C)CC2)O1 ZINC000757140064 582521092 /nfs/dbraw/zinc/52/10/92/582521092.db2.gz JAOLIAUPUVDTKR-YPMHNXCESA-N 1 0 211.349 3.071 10 0 BGAERO CCC1(CC)[NH2+][C@@H](c2ccccc2)CCO1 ZINC000757140076 582520990 /nfs/dbraw/zinc/52/09/90/582520990.db2.gz KJZPHTPJAPHNPB-CYBMUJFWSA-N 1 0 219.328 3.254 10 0 BGAERO CCC1(CC)[NH2+][C@H](c2ccccc2)CCO1 ZINC000757140117 582520929 /nfs/dbraw/zinc/52/09/29/582520929.db2.gz KJZPHTPJAPHNPB-ZDUSSCGKSA-N 1 0 219.328 3.254 10 0 BGAERO C[C@@H]1CC(C)(C)OC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757140203 586427928 /nfs/dbraw/zinc/42/79/28/586427928.db2.gz AWTFDOYMQRDOAN-LLVKDONJSA-N 1 0 225.376 3.460 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]CC(C)(C)CO2 ZINC000757140217 586427858 /nfs/dbraw/zinc/42/78/58/586427858.db2.gz LEAGUDVVEGLPGL-BXUZGUMPSA-N 1 0 225.376 3.175 10 0 BGAERO C[C@H]1CC(C)(C)OC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757140223 586427342 /nfs/dbraw/zinc/42/73/42/586427342.db2.gz AWTFDOYMQRDOAN-NSHDSACASA-N 1 0 225.376 3.460 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CC(C)(C)CO2 ZINC000757140247 586427691 /nfs/dbraw/zinc/42/76/91/586427691.db2.gz LEAGUDVVEGLPGL-FZMZJTMJSA-N 1 0 225.376 3.175 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CC(C)(C)CO2 ZINC000757140249 586427400 /nfs/dbraw/zinc/42/74/00/586427400.db2.gz LEAGUDVVEGLPGL-RISCZKNCSA-N 1 0 225.376 3.175 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]2(C1)[NH2+]CC(C)(C)CO2 ZINC000757140273 582520156 /nfs/dbraw/zinc/52/01/56/582520156.db2.gz LEAGUDVVEGLPGL-SMDDNHRTSA-N 1 0 225.376 3.175 10 0 BGAERO CCC1(CC)[NH2+]C2(CCCCC2)CCO1 ZINC000757140312 582520536 /nfs/dbraw/zinc/52/05/36/582520536.db2.gz AYMQWWIWXYLPTE-UHFFFAOYSA-N 1 0 211.349 3.216 10 0 BGAERO CCCC1(CCC)[NH2+]C[C@@H](C(C)C)CO1 ZINC000757140461 582521078 /nfs/dbraw/zinc/52/10/78/582521078.db2.gz BELWSQJUOFCUNO-GFCCVEGCSA-N 1 0 213.365 3.175 10 0 BGAERO CCCC1(CCC)[NH2+]C[C@H](C(C)C)CO1 ZINC000757140482 582521116 /nfs/dbraw/zinc/52/11/16/582521116.db2.gz BELWSQJUOFCUNO-LBPRGKRZSA-N 1 0 213.365 3.175 10 0 BGAERO CC1(C)C[NH2+]C2(CCCCCCC2)OC1 ZINC000757140495 582521208 /nfs/dbraw/zinc/52/12/08/582521208.db2.gz MSWZHSHYORVWHF-UHFFFAOYSA-N 1 0 211.349 3.073 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757140518 586427580 /nfs/dbraw/zinc/42/75/80/586427580.db2.gz BGMCUAFSEMCIKM-LXVYMNJGSA-N 1 0 235.327 3.237 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757140521 586427525 /nfs/dbraw/zinc/42/75/25/586427525.db2.gz BGMCUAFSEMCIKM-MBHSVXNSSA-N 1 0 235.327 3.237 10 0 BGAERO Cc1cc(C[C@]2([NH3+])CCSC2)ccc1Cl ZINC000757140705 582520939 /nfs/dbraw/zinc/52/09/39/582520939.db2.gz AQZQZBMBEFGAHL-GFCCVEGCSA-N 1 0 241.787 3.025 10 0 BGAERO Cc1cc(C[C@@]2([NH3+])CCSC2)ccc1Cl ZINC000757140708 582521067 /nfs/dbraw/zinc/52/10/67/582521067.db2.gz AQZQZBMBEFGAHL-LBPRGKRZSA-N 1 0 241.787 3.025 10 0 BGAERO CC[C@@]1(C)CCOC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757140778 582521202 /nfs/dbraw/zinc/52/12/02/582521202.db2.gz BVAMQVLSCCMMSJ-JTQLQIEISA-N 1 0 233.302 3.071 10 0 BGAERO CC[C@]1(C)CCOC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757140782 582521216 /nfs/dbraw/zinc/52/12/16/582521216.db2.gz BVAMQVLSCCMMSJ-SNVBAGLBSA-N 1 0 233.302 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+]C[C@H]1CCC[C@H]1O2 ZINC000757140836 582521582 /nfs/dbraw/zinc/52/15/82/582521582.db2.gz JHVWARANZXUFGE-CEUNDQEZSA-N 1 0 223.360 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+]C[C@H]1CCC[C@@H]1O2 ZINC000757140842 582521348 /nfs/dbraw/zinc/52/13/48/582521348.db2.gz JHVWARANZXUFGE-DKNRTOFZSA-N 1 0 223.360 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@@H]1O2 ZINC000757140847 582521472 /nfs/dbraw/zinc/52/14/72/582521472.db2.gz JHVWARANZXUFGE-QPPOZKHWSA-N 1 0 223.360 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+]C[C@@H]1CCC[C@H]1O2 ZINC000757140855 582521567 /nfs/dbraw/zinc/52/15/67/582521567.db2.gz JHVWARANZXUFGE-YIFLHPOLSA-N 1 0 223.360 3.071 10 0 BGAERO CC(C)[C@H]1CCC[C@@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757140882 582521676 /nfs/dbraw/zinc/52/16/76/582521676.db2.gz JPWJKVITLYGVGL-DZGCQCFKSA-N 1 0 237.387 3.319 10 0 BGAERO CC(C)[C@@H]1CCC[C@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757140886 582521372 /nfs/dbraw/zinc/52/13/72/582521372.db2.gz JPWJKVITLYGVGL-HIFRSBDPSA-N 1 0 237.387 3.319 10 0 BGAERO CC(C)[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757140889 582521408 /nfs/dbraw/zinc/52/14/08/582521408.db2.gz JPWJKVITLYGVGL-UKRRQHHQSA-N 1 0 237.387 3.319 10 0 BGAERO CC(C)[C@H]1CCC[C@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757140893 582521463 /nfs/dbraw/zinc/52/14/63/582521463.db2.gz JPWJKVITLYGVGL-ZFWWWQNUSA-N 1 0 237.387 3.319 10 0 BGAERO CCCC1(CCC)[NH2+]C[C@H]2CCC[C@@H]2O1 ZINC000757140925 582521411 /nfs/dbraw/zinc/52/14/11/582521411.db2.gz KCGDOGJEFKXOGS-NEPJUHHUSA-N 1 0 211.349 3.071 10 0 BGAERO CCCC1(CCC)[NH2+]C[C@@H]2CCC[C@H]2O1 ZINC000757140926 582521291 /nfs/dbraw/zinc/52/12/91/582521291.db2.gz KCGDOGJEFKXOGS-NWDGAFQWSA-N 1 0 211.349 3.071 10 0 BGAERO CCCC1(CCC)[NH2+]C[C@@H]2CCC[C@@H]2O1 ZINC000757140930 582521453 /nfs/dbraw/zinc/52/14/53/582521453.db2.gz KCGDOGJEFKXOGS-RYUDHWBXSA-N 1 0 211.349 3.071 10 0 BGAERO CCCC1(CCC)[NH2+]C[C@H]2CCC[C@H]2O1 ZINC000757140936 582521508 /nfs/dbraw/zinc/52/15/08/582521508.db2.gz KCGDOGJEFKXOGS-VXGBXAGGSA-N 1 0 211.349 3.071 10 0 BGAERO C[C@@H]1CC[NH2+]C2(CCC(c3ccccc3)CC2)O1 ZINC000757140967 582521625 /nfs/dbraw/zinc/52/16/25/582521625.db2.gz KGFSIZXENPIIHO-IUDNXUCKSA-N 1 0 245.366 3.439 10 0 BGAERO C[C@H]1CC[NH2+]C2(CCC(c3ccccc3)CC2)O1 ZINC000757140975 582521415 /nfs/dbraw/zinc/52/14/15/582521415.db2.gz KGFSIZXENPIIHO-JEYLPNPQSA-N 1 0 245.366 3.439 10 0 BGAERO Cc1cc([C@@H]([NH3+])C(C)(C)C)c(C)cc1O ZINC000757141089 582521478 /nfs/dbraw/zinc/52/14/78/582521478.db2.gz AEFLDTVODDCKGT-GFCCVEGCSA-N 1 0 207.317 3.055 10 0 BGAERO Cc1cc([C@H]([NH3+])C(C)(C)C)c(C)cc1O ZINC000757141150 582521590 /nfs/dbraw/zinc/52/15/90/582521590.db2.gz AEFLDTVODDCKGT-LBPRGKRZSA-N 1 0 207.317 3.055 10 0 BGAERO CCC1(CC)CC[NH2+]C2(CCC(C)CC2)O1 ZINC000757141319 582521760 /nfs/dbraw/zinc/52/17/60/582521760.db2.gz JOIKJGKUTVHQKT-UHFFFAOYSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@@H]1CCOC(CCC)(CCC)[NH2+]1 ZINC000757141614 582522500 /nfs/dbraw/zinc/52/25/00/582522500.db2.gz LAKDLFKRCHHWCZ-GFCCVEGCSA-N 1 0 213.365 3.462 10 0 BGAERO CCC[C@H]1CCOC(CCC)(CCC)[NH2+]1 ZINC000757141623 582522633 /nfs/dbraw/zinc/52/26/33/582522633.db2.gz LAKDLFKRCHHWCZ-LBPRGKRZSA-N 1 0 213.365 3.462 10 0 BGAERO Cc1c(C)c([C@@H]([NH3+])C(C)(C)C)ccc1O ZINC000757141726 582522564 /nfs/dbraw/zinc/52/25/64/582522564.db2.gz ASYGLGSNPHZNNT-GFCCVEGCSA-N 1 0 207.317 3.055 10 0 BGAERO Cc1cc(CC2([NH3+])CCCC2)ccc1Cl ZINC000757141752 582522596 /nfs/dbraw/zinc/52/25/96/582522596.db2.gz DUMLIOUJWONQFQ-UHFFFAOYSA-N 1 0 223.747 3.462 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757141753 582522567 /nfs/dbraw/zinc/52/25/67/582522567.db2.gz AQIFYHBYHKMWCP-DOMZBBRYSA-N 1 0 237.387 3.462 10 0 BGAERO Cc1c(C)c([C@H]([NH3+])C(C)(C)C)ccc1O ZINC000757141757 582522506 /nfs/dbraw/zinc/52/25/06/582522506.db2.gz ASYGLGSNPHZNNT-LBPRGKRZSA-N 1 0 207.317 3.055 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757141774 582522427 /nfs/dbraw/zinc/52/24/27/582522427.db2.gz AQIFYHBYHKMWCP-IUODEOHRSA-N 1 0 237.387 3.462 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757141784 582522669 /nfs/dbraw/zinc/52/26/69/582522669.db2.gz AQIFYHBYHKMWCP-SWLSCSKDSA-N 1 0 237.387 3.462 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757141831 586427843 /nfs/dbraw/zinc/42/78/43/586427843.db2.gz AQIFYHBYHKMWCP-WFASDCNBSA-N 1 0 237.387 3.462 10 0 BGAERO c1ccc([C@@H]2CCOC3(CCCCC3)[NH2+]2)cc1 ZINC000757141847 643301826 /nfs/dbraw/zinc/30/18/26/643301826.db2.gz RBZITMLRAYHPCV-AWEZNQCLSA-N 1 0 231.339 3.398 10 0 BGAERO c1ccc([C@H]2CCOC3(CCCCC3)[NH2+]2)cc1 ZINC000757141849 643301577 /nfs/dbraw/zinc/30/15/77/643301577.db2.gz RBZITMLRAYHPCV-CQSZACIVSA-N 1 0 231.339 3.398 10 0 BGAERO CC(C)[C@H]1CCC[C@@]2(C1)[NH2+]CC(C)(C)CO2 ZINC000757141879 586427731 /nfs/dbraw/zinc/42/77/31/586427731.db2.gz RSPQUWYPRYZKQO-GXTWGEPZSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)[C@H]1CCC[C@]2(C1)[NH2+]CC(C)(C)CO2 ZINC000757141881 586427710 /nfs/dbraw/zinc/42/77/10/586427710.db2.gz RSPQUWYPRYZKQO-JSGCOSHPSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)[C@@H]1CCC[C@]2(C1)[NH2+]CC(C)(C)CO2 ZINC000757141882 586427934 /nfs/dbraw/zinc/42/79/34/586427934.db2.gz RSPQUWYPRYZKQO-OCCSQVGLSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)[C@@H]1CCC[C@@]2(C1)[NH2+]CC(C)(C)CO2 ZINC000757141883 586427351 /nfs/dbraw/zinc/42/73/51/586427351.db2.gz RSPQUWYPRYZKQO-TZMCWYRMSA-N 1 0 225.376 3.175 10 0 BGAERO CCCC1(CCC)[NH2+]CC2(CCCC2)CO1 ZINC000757141951 643303910 /nfs/dbraw/zinc/30/39/10/643303910.db2.gz LMJHQZUEZMKEGC-UHFFFAOYSA-N 1 0 225.376 3.463 10 0 BGAERO CCC1(CC)[NH2+]CC2(CCCCC2)CO1 ZINC000757141976 582522663 /nfs/dbraw/zinc/52/26/63/582522663.db2.gz AYHBKFQBWBLRMP-UHFFFAOYSA-N 1 0 211.349 3.073 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccccc2)cc(C)c1O ZINC000757141986 582522318 /nfs/dbraw/zinc/52/23/18/582522318.db2.gz BTQVYGSNBCEHQA-AWEZNQCLSA-N 1 0 227.307 3.057 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccccc2)cc(C)c1O ZINC000757141995 582522616 /nfs/dbraw/zinc/52/26/16/582522616.db2.gz BTQVYGSNBCEHQA-CQSZACIVSA-N 1 0 227.307 3.057 10 0 BGAERO CC[C@@H]([NH3+])c1cc(C)c(O)cc1C(C)C ZINC000757141999 582522638 /nfs/dbraw/zinc/52/26/38/582522638.db2.gz BUIYJGUMNJHSTI-GFCCVEGCSA-N 1 0 207.317 3.234 10 0 BGAERO CC[C@H]([NH3+])c1cc(C)c(O)cc1C(C)C ZINC000757142022 582522656 /nfs/dbraw/zinc/52/26/56/582522656.db2.gz BUIYJGUMNJHSTI-LBPRGKRZSA-N 1 0 207.317 3.234 10 0 BGAERO CC[C@H]1CCC[C@@]2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757142057 643301884 /nfs/dbraw/zinc/30/18/84/643301884.db2.gz TWAUBNRTWACFAX-GXTWGEPZSA-N 1 0 225.376 3.319 10 0 BGAERO CC[C@H]1CCC[C@]2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757142058 643302375 /nfs/dbraw/zinc/30/23/75/643302375.db2.gz TWAUBNRTWACFAX-JSGCOSHPSA-N 1 0 225.376 3.319 10 0 BGAERO CC[C@@H]1CCC[C@]2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757142060 643302304 /nfs/dbraw/zinc/30/23/04/643302304.db2.gz TWAUBNRTWACFAX-OCCSQVGLSA-N 1 0 225.376 3.319 10 0 BGAERO CC(C)[C@H]1CCC[C@@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757142064 643302922 /nfs/dbraw/zinc/30/29/22/643302922.db2.gz AZGHBZWDOQMAJO-DZGCQCFKSA-N 1 0 237.387 3.462 10 0 BGAERO CC[C@@H]1CCC[C@@]2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757142068 643302004 /nfs/dbraw/zinc/30/20/04/643302004.db2.gz TWAUBNRTWACFAX-TZMCWYRMSA-N 1 0 225.376 3.319 10 0 BGAERO CC(C)[C@@H]1CCC[C@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757142080 643302908 /nfs/dbraw/zinc/30/29/08/643302908.db2.gz AZGHBZWDOQMAJO-HIFRSBDPSA-N 1 0 237.387 3.462 10 0 BGAERO CC(C)[C@@H]1CCC[C@@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757142090 643302566 /nfs/dbraw/zinc/30/25/66/643302566.db2.gz AZGHBZWDOQMAJO-UKRRQHHQSA-N 1 0 237.387 3.462 10 0 BGAERO CC(C)[C@H]1CCC[C@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757142097 643302225 /nfs/dbraw/zinc/30/22/25/643302225.db2.gz AZGHBZWDOQMAJO-ZFWWWQNUSA-N 1 0 237.387 3.462 10 0 BGAERO CCC1(CC)CC[NH2+]C2(CCCCC2)O1 ZINC000757142155 643302367 /nfs/dbraw/zinc/30/23/67/643302367.db2.gz KIONPZXIRJTIKJ-UHFFFAOYSA-N 1 0 211.349 3.216 10 0 BGAERO CCC1(CC)CC[NH2+]C2(CCC(F)(F)CC2)O1 ZINC000757142200 643303668 /nfs/dbraw/zinc/30/36/68/643303668.db2.gz KPGYAHGZIWOXLS-UHFFFAOYSA-N 1 0 247.329 3.461 10 0 BGAERO CC[C@H](C)c1cc([C@H]([NH3+])C2CC2)ccc1O ZINC000757142244 643304148 /nfs/dbraw/zinc/30/41/48/643304148.db2.gz CCNGORUJKHGPNW-LKFCYVNXSA-N 1 0 219.328 3.316 10 0 BGAERO CC(C)[C@H]1OC2(CCC(C)CC2)[NH2+]CC12CC2 ZINC000757142272 586428273 /nfs/dbraw/zinc/42/82/73/586428273.db2.gz KWHFUYQSNFHFSS-JVWICGRDSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)[C@@H]1OC2(CCC(C)CC2)[NH2+]CC12CC2 ZINC000757142277 586428135 /nfs/dbraw/zinc/42/81/35/586428135.db2.gz KWHFUYQSNFHFSS-OWYJLGKBSA-N 1 0 237.387 3.317 10 0 BGAERO [NH3+][C@H](c1ccc(O)c(-c2ccccc2)c1)C1CC1 ZINC000757142428 643303939 /nfs/dbraw/zinc/30/39/39/643303939.db2.gz CJIOUYVGPNAZSN-INIZCTEOSA-N 1 0 239.318 3.469 10 0 BGAERO [NH3+][C@@H](c1ccc(O)c(-c2ccccc2)c1)C1CC1 ZINC000757142429 643303581 /nfs/dbraw/zinc/30/35/81/643303581.db2.gz CJIOUYVGPNAZSN-MRXNPFEDSA-N 1 0 239.318 3.469 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757142504 582523116 /nfs/dbraw/zinc/52/31/16/582523116.db2.gz CAKNRUYNRZDXEC-UHFFFAOYSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757142913 582522866 /nfs/dbraw/zinc/52/28/66/582522866.db2.gz LUWYKHBFZSTPSF-GXTWGEPZSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757142922 582523119 /nfs/dbraw/zinc/52/31/19/582523119.db2.gz LUWYKHBFZSTPSF-JSGCOSHPSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757142928 582522847 /nfs/dbraw/zinc/52/28/47/582522847.db2.gz LUWYKHBFZSTPSF-OCCSQVGLSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757142938 582522901 /nfs/dbraw/zinc/52/29/01/582522901.db2.gz LUWYKHBFZSTPSF-TZMCWYRMSA-N 1 0 223.360 3.073 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757142949 582523130 /nfs/dbraw/zinc/52/31/30/582523130.db2.gz LVULYBHGKVWMQL-CEUNDQEZSA-N 1 0 223.360 3.071 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@H]1CCCC[C@@H]1CO2 ZINC000757142959 582523124 /nfs/dbraw/zinc/52/31/24/582523124.db2.gz LVULYBHGKVWMQL-DKNRTOFZSA-N 1 0 223.360 3.071 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757142966 582522859 /nfs/dbraw/zinc/52/28/59/582522859.db2.gz LVULYBHGKVWMQL-QPPOZKHWSA-N 1 0 223.360 3.071 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757142977 582522945 /nfs/dbraw/zinc/52/29/45/582522945.db2.gz LVULYBHGKVWMQL-YIFLHPOLSA-N 1 0 223.360 3.071 10 0 BGAERO CC[C@@H]([NH3+])CCc1ccc(Cl)c(C)c1 ZINC000757143105 582522826 /nfs/dbraw/zinc/52/28/26/582522826.db2.gz GLGRQQRBOXLOJO-LLVKDONJSA-N 1 0 211.736 3.318 10 0 BGAERO CC[C@H]([NH3+])CCc1ccc(Cl)c(C)c1 ZINC000757143110 582522917 /nfs/dbraw/zinc/52/29/17/582522917.db2.gz GLGRQQRBOXLOJO-NSHDSACASA-N 1 0 211.736 3.318 10 0 BGAERO Cc1cc(C[C@@](C)([NH3+])C(F)F)ccc1Cl ZINC000757143128 582522885 /nfs/dbraw/zinc/52/28/85/582522885.db2.gz GMBWJEDECSFLRU-LLVKDONJSA-N 1 0 233.689 3.173 10 0 BGAERO Cc1cc(C[C@](C)([NH3+])C(F)F)ccc1Cl ZINC000757143137 582523389 /nfs/dbraw/zinc/52/33/89/582523389.db2.gz GMBWJEDECSFLRU-NSHDSACASA-N 1 0 233.689 3.173 10 0 BGAERO CCC(C)(C)C1CCC2(CC1)[NH2+]CCCO2 ZINC000757143256 582523663 /nfs/dbraw/zinc/52/36/63/582523663.db2.gz VROVMQVVFXXSRC-UHFFFAOYSA-N 1 0 225.376 3.319 10 0 BGAERO CC[C@H]1CCC[C@@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757143341 586428483 /nfs/dbraw/zinc/42/84/83/586428483.db2.gz MLXOSONHGBSVGB-DZGCQCFKSA-N 1 0 237.387 3.463 10 0 BGAERO CC[C@@H]1CCC[C@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757143347 586428475 /nfs/dbraw/zinc/42/84/75/586428475.db2.gz MLXOSONHGBSVGB-HIFRSBDPSA-N 1 0 237.387 3.463 10 0 BGAERO CC[C@@H]1CCC[C@@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757143348 586428193 /nfs/dbraw/zinc/42/81/93/586428193.db2.gz MLXOSONHGBSVGB-UKRRQHHQSA-N 1 0 237.387 3.463 10 0 BGAERO CC[C@H]1CCC[C@]2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757143362 586428191 /nfs/dbraw/zinc/42/81/91/586428191.db2.gz MLXOSONHGBSVGB-ZFWWWQNUSA-N 1 0 237.387 3.463 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]CC(C)(C)CO2 ZINC000757143398 582523298 /nfs/dbraw/zinc/52/32/98/582523298.db2.gz WTBQZEIMUUYHFL-UHFFFAOYSA-N 1 0 225.376 3.175 10 0 BGAERO CC1(C)CC2(C1)[NH2+][C@@H](c1ccccc1)CCO2 ZINC000757143413 586428018 /nfs/dbraw/zinc/42/80/18/586428018.db2.gz WXHZEXOKLZMWJH-CYBMUJFWSA-N 1 0 231.339 3.254 10 0 BGAERO CC1(C)CC2(C1)[NH2+][C@H](c1ccccc1)CCO2 ZINC000757143415 586428008 /nfs/dbraw/zinc/42/80/08/586428008.db2.gz WXHZEXOKLZMWJH-ZDUSSCGKSA-N 1 0 231.339 3.254 10 0 BGAERO C1C[C@@H]2C[NH2+]C3(CCCCCCC3)O[C@@H]2C1 ZINC000757143422 582523274 /nfs/dbraw/zinc/52/32/74/582523274.db2.gz MUOPPMVAOKSJGR-CHWSQXEVSA-N 1 0 223.360 3.216 10 0 BGAERO C1C[C@@H]2C[NH2+]C3(CCCCCCC3)O[C@H]2C1 ZINC000757143425 582523496 /nfs/dbraw/zinc/52/34/96/582523496.db2.gz MUOPPMVAOKSJGR-OLZOCXBDSA-N 1 0 223.360 3.216 10 0 BGAERO C1C[C@H]2OC3(CCCCCCC3)[NH2+]C[C@@H]2C1 ZINC000757143438 582523598 /nfs/dbraw/zinc/52/35/98/582523598.db2.gz MUOPPMVAOKSJGR-QWHCGFSZSA-N 1 0 223.360 3.216 10 0 BGAERO C1C[C@H]2C[NH2+]C3(CCCCCCC3)O[C@H]2C1 ZINC000757143439 582523294 /nfs/dbraw/zinc/52/32/94/582523294.db2.gz MUOPPMVAOKSJGR-STQMWFEESA-N 1 0 223.360 3.216 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@H](C(C)(C)C)CCO2 ZINC000757143447 582523512 /nfs/dbraw/zinc/52/35/12/582523512.db2.gz XOHUIGJYRKBENG-LXVYMNJGSA-N 1 0 225.376 3.317 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@@H](C(C)(C)C)CCO2 ZINC000757143451 582523694 /nfs/dbraw/zinc/52/36/94/582523694.db2.gz XOHUIGJYRKBENG-MBHSVXNSSA-N 1 0 225.376 3.317 10 0 BGAERO CCC1(CC)C[NH2+]C2(CCCCC2)OC1 ZINC000757143602 582524016 /nfs/dbraw/zinc/52/40/16/582524016.db2.gz DOZQROZKOGIMMB-UHFFFAOYSA-N 1 0 211.349 3.073 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757143622 582523959 /nfs/dbraw/zinc/52/39/59/582523959.db2.gz NTWLYVDTSDWFNU-GFCCVEGCSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757143625 582523953 /nfs/dbraw/zinc/52/39/53/582523953.db2.gz NTWLYVDTSDWFNU-LBPRGKRZSA-N 1 0 223.360 3.071 10 0 BGAERO CC[C@@H](C)c1cc([C@H]([NH3+])CC)ccc1O ZINC000757143652 582524009 /nfs/dbraw/zinc/52/40/09/582524009.db2.gz FHOQRVFDGMIOHK-BXKDBHETSA-N 1 0 207.317 3.316 10 0 BGAERO CC[C@H](C)c1cc([C@@H]([NH3+])CC)ccc1O ZINC000757143659 582523994 /nfs/dbraw/zinc/52/39/94/582523994.db2.gz FHOQRVFDGMIOHK-CABZTGNLSA-N 1 0 207.317 3.316 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(O)c([C@@H](C)CC)c1 ZINC000757143667 582523892 /nfs/dbraw/zinc/52/38/92/582523892.db2.gz FHOQRVFDGMIOHK-JOYOIKCWSA-N 1 0 207.317 3.316 10 0 BGAERO CC[C@@H](C)c1cc([C@@H]([NH3+])CC)ccc1O ZINC000757143673 582523874 /nfs/dbraw/zinc/52/38/74/582523874.db2.gz FHOQRVFDGMIOHK-SKDRFNHKSA-N 1 0 207.317 3.316 10 0 BGAERO CC(C)[C@H]1[NH2+]C2(CC(C)(C)C2)OCC1(C)C ZINC000757143709 582523951 /nfs/dbraw/zinc/52/39/51/582523951.db2.gz DZYIEVHMSUHIKO-LLVKDONJSA-N 1 0 225.376 3.173 10 0 BGAERO CC(C)(C)[C@@H]1CCOC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757143710 582523839 /nfs/dbraw/zinc/52/38/39/582523839.db2.gz XUXRGDRJOGCRSG-JTQLQIEISA-N 1 0 247.329 3.317 10 0 BGAERO CC(C)[C@@H]1[NH2+]C2(CC(C)(C)C2)OCC1(C)C ZINC000757143712 582523893 /nfs/dbraw/zinc/52/38/93/582523893.db2.gz DZYIEVHMSUHIKO-NSHDSACASA-N 1 0 225.376 3.173 10 0 BGAERO CC(C)(C)[C@H]1CCOC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757143715 582523873 /nfs/dbraw/zinc/52/38/73/582523873.db2.gz XUXRGDRJOGCRSG-SNVBAGLBSA-N 1 0 247.329 3.317 10 0 BGAERO C[C@@H]1CC(C)(C)OC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757143720 582524037 /nfs/dbraw/zinc/52/40/37/582524037.db2.gz FCLLFBWLAHAHCU-SECBINFHSA-N 1 0 233.302 3.069 10 0 BGAERO C[C@H]1CC(C)(C)OC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757143730 582524150 /nfs/dbraw/zinc/52/41/50/582524150.db2.gz FCLLFBWLAHAHCU-VIFPVBQESA-N 1 0 233.302 3.069 10 0 BGAERO CCC1(CC)[NH2+]CC2(CCC2)C2(CCC2)O1 ZINC000757144234 582524474 /nfs/dbraw/zinc/52/44/74/582524474.db2.gz NJSITBICXFGQLK-UHFFFAOYSA-N 1 0 223.360 3.216 10 0 BGAERO c1ccc(C[C@@H]2CCOC3(CCCCC3)[NH2+]2)cc1 ZINC000757144262 643315094 /nfs/dbraw/zinc/31/50/94/643315094.db2.gz GCCTZOZSFOCKJM-HNNXBMFYSA-N 1 0 245.366 3.268 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@@H](C)CC(C)(C)O2 ZINC000757144300 582525017 /nfs/dbraw/zinc/52/50/17/582525017.db2.gz GEGPNRCBEAMWQM-DCBWTQNWSA-N 1 0 225.376 3.460 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@H](C)CC(C)(C)O2 ZINC000757144304 582525013 /nfs/dbraw/zinc/52/50/13/582525013.db2.gz GEGPNRCBEAMWQM-LKSINWNRSA-N 1 0 225.376 3.460 10 0 BGAERO Cc1cc([C@H]([NH3+])CC(C)C)c(C)cc1O ZINC000757144411 582525390 /nfs/dbraw/zinc/52/53/90/582525390.db2.gz JDUXMBLLPVUSNM-GFCCVEGCSA-N 1 0 207.317 3.055 10 0 BGAERO Cc1cc([C@@H]([NH3+])CC(C)C)c(C)cc1O ZINC000757144414 582525515 /nfs/dbraw/zinc/52/55/15/582525515.db2.gz JDUXMBLLPVUSNM-LBPRGKRZSA-N 1 0 207.317 3.055 10 0 BGAERO CCCC1(CCC)[NH2+][C@@H]2CCCC[C@@H]2CO1 ZINC000757144418 582525983 /nfs/dbraw/zinc/52/59/83/582525983.db2.gz OADXVSCHQNXLDM-CHWSQXEVSA-N 1 0 225.376 3.462 10 0 BGAERO CCCC1(CCC)[NH2+][C@H]2CCCC[C@@H]2CO1 ZINC000757144419 582525812 /nfs/dbraw/zinc/52/58/12/582525812.db2.gz OADXVSCHQNXLDM-OLZOCXBDSA-N 1 0 225.376 3.462 10 0 BGAERO CCCC1(CCC)[NH2+][C@@H]2CCCC[C@H]2CO1 ZINC000757144421 582525728 /nfs/dbraw/zinc/52/57/28/582525728.db2.gz OADXVSCHQNXLDM-QWHCGFSZSA-N 1 0 225.376 3.462 10 0 BGAERO CCCC1(CCC)[NH2+][C@H]2CCCC[C@H]2CO1 ZINC000757144422 582525707 /nfs/dbraw/zinc/52/57/07/582525707.db2.gz OADXVSCHQNXLDM-STQMWFEESA-N 1 0 225.376 3.462 10 0 BGAERO Cc1cc(C[C@@](C)([NH3+])C2CC2)ccc1Cl ZINC000757144427 582525864 /nfs/dbraw/zinc/52/58/64/582525864.db2.gz KDJPVCWLXHZNSR-CYBMUJFWSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@](C)([NH3+])C2CC2)ccc1Cl ZINC000757144431 582525770 /nfs/dbraw/zinc/52/57/70/582525770.db2.gz KDJPVCWLXHZNSR-ZDUSSCGKSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1c(C)c([C@@H]([NH3+])c2ccccc2)ccc1O ZINC000757144435 582525723 /nfs/dbraw/zinc/52/57/23/582525723.db2.gz JXNVLTNLYNXOSE-HNNXBMFYSA-N 1 0 227.307 3.057 10 0 BGAERO Cc1c(C)c([C@H]([NH3+])c2ccccc2)ccc1O ZINC000757144438 582525975 /nfs/dbraw/zinc/52/59/75/582525975.db2.gz JXNVLTNLYNXOSE-OAHLLOKOSA-N 1 0 227.307 3.057 10 0 BGAERO CCC1(CC)[NH2+][C@H](C(C)C)C(C)(C)CO1 ZINC000757144663 582525486 /nfs/dbraw/zinc/52/54/86/582525486.db2.gz HATDHXRYAYLDCN-LLVKDONJSA-N 1 0 213.365 3.173 10 0 BGAERO CCC1(CC)[NH2+][C@@H](C(C)C)C(C)(C)CO1 ZINC000757144668 582525539 /nfs/dbraw/zinc/52/55/39/582525539.db2.gz HATDHXRYAYLDCN-NSHDSACASA-N 1 0 213.365 3.173 10 0 BGAERO CC1(C)CC2(C1)[NH2+]C1(CCCCC1)CCO2 ZINC000757144680 582525615 /nfs/dbraw/zinc/52/56/15/582525615.db2.gz HATQPIKLEAMRNX-UHFFFAOYSA-N 1 0 223.360 3.216 10 0 BGAERO C[C@H]1OC2(CCCCCCC2)[NH2+]CC1(C)C ZINC000757144837 582525934 /nfs/dbraw/zinc/52/59/34/582525934.db2.gz GTRYECPTEQRWHR-GFCCVEGCSA-N 1 0 225.376 3.462 10 0 BGAERO C[C@@H]1OC2(CCCCCCC2)[NH2+]CC1(C)C ZINC000757144841 582526273 /nfs/dbraw/zinc/52/62/73/582526273.db2.gz GTRYECPTEQRWHR-LBPRGKRZSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@H]1CC[NH2+]C2(CCC(C(C)C)CC2)O1 ZINC000757144870 582526344 /nfs/dbraw/zinc/52/63/44/582526344.db2.gz PLNXALXWKXNUSM-MOKVOYLWSA-N 1 0 225.376 3.317 10 0 BGAERO CC[C@@H]1CC[NH2+]C2(CCC(C(C)C)CC2)O1 ZINC000757144883 582526342 /nfs/dbraw/zinc/52/63/42/582526342.db2.gz PLNXALXWKXNUSM-ROKHWSDSSA-N 1 0 225.376 3.317 10 0 BGAERO CCCC1(CCC)[NH2+]CC2(CCC2)CO1 ZINC000757144889 582526379 /nfs/dbraw/zinc/52/63/79/582526379.db2.gz PLVQCJOBTQRBFZ-UHFFFAOYSA-N 1 0 211.349 3.073 10 0 BGAERO CC(C)[C@H]1OC2(CC(C)(C)C2)[NH2+]CC1(C)C ZINC000757144903 582526141 /nfs/dbraw/zinc/52/61/41/582526141.db2.gz HLUXIDLMAMDGSO-LLVKDONJSA-N 1 0 225.376 3.173 10 0 BGAERO CC(C)[C@@H]1OC2(CC(C)(C)C2)[NH2+]CC1(C)C ZINC000757144915 582526565 /nfs/dbraw/zinc/52/65/65/582526565.db2.gz HLUXIDLMAMDGSO-NSHDSACASA-N 1 0 225.376 3.173 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757144918 582526684 /nfs/dbraw/zinc/52/66/84/582526684.db2.gz HALDPJWTYUMKAA-UHFFFAOYSA-N 1 0 223.360 3.216 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+][C@@H]1CCCC[C@@H]1CO2 ZINC000757144976 582526301 /nfs/dbraw/zinc/52/63/01/582526301.db2.gz PRCGCMMFCMLRMD-CHWSQXEVSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+][C@H]1CCCC[C@@H]1CO2 ZINC000757144982 582526229 /nfs/dbraw/zinc/52/62/29/582526229.db2.gz PRCGCMMFCMLRMD-OLZOCXBDSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+][C@@H]1CCCC[C@H]1CO2 ZINC000757144996 582526315 /nfs/dbraw/zinc/52/63/15/582526315.db2.gz PRCGCMMFCMLRMD-QWHCGFSZSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+][C@H]1CCCC[C@H]1CO2 ZINC000757145002 582526295 /nfs/dbraw/zinc/52/62/95/582526295.db2.gz PRCGCMMFCMLRMD-STQMWFEESA-N 1 0 237.387 3.462 10 0 BGAERO CC[C@H]1CC[NH2+][C@@]2(CCCC(C)(C)C2)O1 ZINC000757145020 582526662 /nfs/dbraw/zinc/52/66/62/582526662.db2.gz PRJQLQWFWLOSPJ-AAEUAGOBSA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@@H]1CC[NH2+][C@]2(CCCC(C)(C)C2)O1 ZINC000757145030 582526730 /nfs/dbraw/zinc/52/67/30/582526730.db2.gz PRJQLQWFWLOSPJ-DGCLKSJQSA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@H]1CC[NH2+][C@]2(CCCC(C)(C)C2)O1 ZINC000757145035 582526637 /nfs/dbraw/zinc/52/66/37/582526637.db2.gz PRJQLQWFWLOSPJ-WCQYABFASA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@@H]1CC[NH2+][C@@]2(CCCC(C)(C)C2)O1 ZINC000757145040 582526714 /nfs/dbraw/zinc/52/67/14/582526714.db2.gz PRJQLQWFWLOSPJ-YPMHNXCESA-N 1 0 211.349 3.071 10 0 BGAERO C1CC2(C1)CC[NH2+]C1(CCCCCCC1)O2 ZINC000757145068 582526871 /nfs/dbraw/zinc/52/68/71/582526871.db2.gz HPLUIRRJAVSRLU-UHFFFAOYSA-N 1 0 223.360 3.360 10 0 BGAERO CCC1(CC)CC[NH2+][C@]2(CCC[C@H](C)C2)O1 ZINC000757145123 582528243 /nfs/dbraw/zinc/52/82/43/582528243.db2.gz OGGSHSHTPCBQCD-GXTWGEPZSA-N 1 0 225.376 3.462 10 0 BGAERO CCC1(CC)CC[NH2+][C@@]2(CCC[C@H](C)C2)O1 ZINC000757145126 582528265 /nfs/dbraw/zinc/52/82/65/582528265.db2.gz OGGSHSHTPCBQCD-JSGCOSHPSA-N 1 0 225.376 3.462 10 0 BGAERO CCC1(CC)CC[NH2+][C@@]2(CCC[C@@H](C)C2)O1 ZINC000757145128 582527896 /nfs/dbraw/zinc/52/78/96/582527896.db2.gz OGGSHSHTPCBQCD-OCCSQVGLSA-N 1 0 225.376 3.462 10 0 BGAERO CCC1(CC)CC[NH2+][C@]2(CCC[C@@H](C)C2)O1 ZINC000757145129 582528077 /nfs/dbraw/zinc/52/80/77/582528077.db2.gz OGGSHSHTPCBQCD-TZMCWYRMSA-N 1 0 225.376 3.462 10 0 BGAERO Cc1cc([C@@H]([NH3+])C2CC2)c(C(C)C)cc1O ZINC000757145296 582527527 /nfs/dbraw/zinc/52/75/27/582527527.db2.gz LKPVIAXQHLRUGN-AWEZNQCLSA-N 1 0 219.328 3.234 10 0 BGAERO Cc1cc([C@H]([NH3+])C2CC2)c(C(C)C)cc1O ZINC000757145301 582527310 /nfs/dbraw/zinc/52/73/10/582527310.db2.gz LKPVIAXQHLRUGN-CQSZACIVSA-N 1 0 219.328 3.234 10 0 BGAERO CCC[C@@H]([NH3+])c1cc(C)c(O)c(C)c1C ZINC000757145395 586428425 /nfs/dbraw/zinc/42/84/25/586428425.db2.gz MPBWOYFSBAFTQH-GFCCVEGCSA-N 1 0 207.317 3.117 10 0 BGAERO CCC[C@H]([NH3+])c1cc(C)c(O)c(C)c1C ZINC000757145399 586428441 /nfs/dbraw/zinc/42/84/41/586428441.db2.gz MPBWOYFSBAFTQH-LBPRGKRZSA-N 1 0 207.317 3.117 10 0 BGAERO CC[C@H]([NH3+])c1ccc(O)c(-c2ccccc2)c1 ZINC000757145428 582527816 /nfs/dbraw/zinc/52/78/16/582527816.db2.gz NPBSVWGECWAYEZ-AWEZNQCLSA-N 1 0 227.307 3.469 10 0 BGAERO CC[C@@H]([NH3+])c1ccc(O)c(-c2ccccc2)c1 ZINC000757145430 582528112 /nfs/dbraw/zinc/52/81/12/582528112.db2.gz NPBSVWGECWAYEZ-CQSZACIVSA-N 1 0 227.307 3.469 10 0 BGAERO CC(C)[C@H]1[NH2+]C2(CCCC2)OCC12CCC2 ZINC000757145452 582527864 /nfs/dbraw/zinc/52/78/64/582527864.db2.gz PCUPTWIBSUUGCS-GFCCVEGCSA-N 1 0 223.360 3.071 10 0 BGAERO CC(C)[C@@H]1[NH2+]C2(CCCC2)OCC12CCC2 ZINC000757145454 582528293 /nfs/dbraw/zinc/52/82/93/582528293.db2.gz PCUPTWIBSUUGCS-LBPRGKRZSA-N 1 0 223.360 3.071 10 0 BGAERO Cc1cc(O)cc(C)c1[C@@H]([NH3+])c1ccccc1 ZINC000757145521 582527773 /nfs/dbraw/zinc/52/77/73/582527773.db2.gz ONEPHCOPSKPBGO-HNNXBMFYSA-N 1 0 227.307 3.057 10 0 BGAERO Cc1cc(CC2([NH3+])CCC2)ccc1Cl ZINC000757145522 582528249 /nfs/dbraw/zinc/52/82/49/582528249.db2.gz MWQGSVDRVDJDLN-UHFFFAOYSA-N 1 0 209.720 3.072 10 0 BGAERO Cc1cc(O)cc(C)c1[C@H]([NH3+])c1ccccc1 ZINC000757145525 582528000 /nfs/dbraw/zinc/52/80/00/582528000.db2.gz ONEPHCOPSKPBGO-OAHLLOKOSA-N 1 0 227.307 3.057 10 0 BGAERO FC1(F)CCC2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757145680 586428413 /nfs/dbraw/zinc/42/84/13/586428413.db2.gz QDPJZLWSSYESJJ-UHFFFAOYSA-N 1 0 245.313 3.072 10 0 BGAERO CC1CCC2(CC1)[NH2+]CC1(CCCCC1)CO2 ZINC000757145738 582528674 /nfs/dbraw/zinc/52/86/74/582528674.db2.gz IOTUMIHDHVGRED-UHFFFAOYSA-N 1 0 237.387 3.463 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CC[C@H](CC)O2 ZINC000757145754 582528721 /nfs/dbraw/zinc/52/87/21/582528721.db2.gz QLJODCICFZRVGU-CPCZMJQVSA-N 1 0 211.349 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CC[C@@H](CC)O2 ZINC000757145758 582528438 /nfs/dbraw/zinc/52/84/38/582528438.db2.gz QLJODCICFZRVGU-OTTFEQOBSA-N 1 0 211.349 3.071 10 0 BGAERO Cc1c(C)c([C@H]([NH3+])CC(C)C)ccc1O ZINC000757145766 582527789 /nfs/dbraw/zinc/52/77/89/582527789.db2.gz PJBSZHLZNFKPQX-GFCCVEGCSA-N 1 0 207.317 3.055 10 0 BGAERO Cc1c(C)c([C@@H]([NH3+])CC(C)C)ccc1O ZINC000757145767 582528207 /nfs/dbraw/zinc/52/82/07/582528207.db2.gz PJBSZHLZNFKPQX-LBPRGKRZSA-N 1 0 207.317 3.055 10 0 BGAERO CC(C)(C)c1cc([C@H]([NH3+])C2CC2)ccc1O ZINC000757145778 586428133 /nfs/dbraw/zinc/42/81/33/586428133.db2.gz PKRBCNPOMJYBLX-CYBMUJFWSA-N 1 0 219.328 3.100 10 0 BGAERO CC(C)(C)c1cc([C@@H]([NH3+])C2CC2)ccc1O ZINC000757145784 586428239 /nfs/dbraw/zinc/42/82/39/586428239.db2.gz PKRBCNPOMJYBLX-ZDUSSCGKSA-N 1 0 219.328 3.100 10 0 BGAERO [NH3+][C@H](c1ccccc1)c1ccc(O)c(Cl)c1 ZINC000757145788 582528652 /nfs/dbraw/zinc/52/86/52/582528652.db2.gz PKTKQGAVDKANHR-CYBMUJFWSA-N 1 0 233.698 3.094 10 0 BGAERO [NH3+][C@@H](c1ccccc1)c1ccc(O)c(Cl)c1 ZINC000757145792 582528339 /nfs/dbraw/zinc/52/83/39/582528339.db2.gz PKTKQGAVDKANHR-ZDUSSCGKSA-N 1 0 233.698 3.094 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757145801 582528731 /nfs/dbraw/zinc/52/87/31/582528731.db2.gz QMGYYTGMTGTGAF-UHFFFAOYSA-N 1 0 237.387 3.463 10 0 BGAERO CCC1(CC)C[NH2+]C2(CCC(F)(F)CC2)OC1 ZINC000757145837 582528354 /nfs/dbraw/zinc/52/83/54/582528354.db2.gz IUCSJNMEOVOALP-UHFFFAOYSA-N 1 0 247.329 3.318 10 0 BGAERO CCC1CCC2(CC1)[NH2+]C[C@H](C(C)C)CO2 ZINC000757145841 582528421 /nfs/dbraw/zinc/52/84/21/582528421.db2.gz IXOUZQZCIIATHS-MOKVOYLWSA-N 1 0 225.376 3.175 10 0 BGAERO CCC1CCC2(CC1)[NH2+]C[C@@H](C(C)C)CO2 ZINC000757145845 582528656 /nfs/dbraw/zinc/52/86/56/582528656.db2.gz IXOUZQZCIIATHS-ROKHWSDSSA-N 1 0 225.376 3.175 10 0 BGAERO CCC[C@H]1CCOC2(CCC(CC)CC2)[NH2+]1 ZINC000757145994 586428407 /nfs/dbraw/zinc/42/84/07/586428407.db2.gz QVLHUIDAUJKMJH-MOKVOYLWSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@@H]1CCOC2(CCC(CC)CC2)[NH2+]1 ZINC000757145998 586428415 /nfs/dbraw/zinc/42/84/15/586428415.db2.gz QVLHUIDAUJKMJH-ROKHWSDSSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@@H]1CC[NH2+]C2(CCCCCCC2)O1 ZINC000757146053 582528868 /nfs/dbraw/zinc/52/88/68/582528868.db2.gz RAQDZPJHNQYJPW-GFCCVEGCSA-N 1 0 211.349 3.216 10 0 BGAERO CC[C@H]1CC[NH2+]C2(CCCCCCC2)O1 ZINC000757146057 582529732 /nfs/dbraw/zinc/52/97/32/582529732.db2.gz RAQDZPJHNQYJPW-LBPRGKRZSA-N 1 0 211.349 3.216 10 0 BGAERO CC1(C)C[NH2+]C2(CCCCC2)OC1(C)C ZINC000757146106 582529473 /nfs/dbraw/zinc/52/94/73/582529473.db2.gz JFSAFEQYRVKGFM-UHFFFAOYSA-N 1 0 211.349 3.071 10 0 BGAERO CCC[C@@H]1CC[NH2+]C(CCC)(CCC)O1 ZINC000757146203 582529221 /nfs/dbraw/zinc/52/92/21/582529221.db2.gz JVIREHRDNIYYJW-GFCCVEGCSA-N 1 0 213.365 3.462 10 0 BGAERO CCC[C@H]1CC[NH2+]C(CCC)(CCC)O1 ZINC000757146208 582529297 /nfs/dbraw/zinc/52/92/97/582529297.db2.gz JVIREHRDNIYYJW-LBPRGKRZSA-N 1 0 213.365 3.462 10 0 BGAERO CC1(C)CC[C@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757146249 582529563 /nfs/dbraw/zinc/52/95/63/582529563.db2.gz RJNIPKPCFFWHBP-AWEZNQCLSA-N 1 0 223.360 3.073 10 0 BGAERO CC1(C)CC[C@@]2(C1)[NH2+]CC1(CCCC1)CO2 ZINC000757146255 582529904 /nfs/dbraw/zinc/52/99/04/582529904.db2.gz RJNIPKPCFFWHBP-CQSZACIVSA-N 1 0 223.360 3.073 10 0 BGAERO CC1(C)CC[C@]2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757146372 582529595 /nfs/dbraw/zinc/52/95/95/582529595.db2.gz KJFXJAQYAOXUCJ-HNNXBMFYSA-N 1 0 237.387 3.463 10 0 BGAERO CC1(C)CC[C@@]2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757146382 582529879 /nfs/dbraw/zinc/52/98/79/582529879.db2.gz KJFXJAQYAOXUCJ-OAHLLOKOSA-N 1 0 237.387 3.463 10 0 BGAERO Cc1cc(O)c(C(C)C)cc1[C@@H]([NH3+])C1CC1 ZINC000757146412 586428701 /nfs/dbraw/zinc/42/87/01/586428701.db2.gz UCHZGBZYJAZDNP-AWEZNQCLSA-N 1 0 219.328 3.234 10 0 BGAERO Cc1cc(O)c(C(C)C)cc1[C@H]([NH3+])C1CC1 ZINC000757146415 586428734 /nfs/dbraw/zinc/42/87/34/586428734.db2.gz UCHZGBZYJAZDNP-CQSZACIVSA-N 1 0 219.328 3.234 10 0 BGAERO CC(C)(C)[C@H]1C[NH2+]C2(CCC(F)(F)CC2)OC1 ZINC000757146416 586428753 /nfs/dbraw/zinc/42/87/53/586428753.db2.gz KTGXHFPTSLQQBQ-JTQLQIEISA-N 1 0 247.329 3.174 10 0 BGAERO CC(C)(C)[C@@H]1C[NH2+]C2(CCC(F)(F)CC2)OC1 ZINC000757146419 586428674 /nfs/dbraw/zinc/42/86/74/586428674.db2.gz KTGXHFPTSLQQBQ-SNVBAGLBSA-N 1 0 247.329 3.174 10 0 BGAERO CCC[C@H]1CC[NH2+]C2(CCC(F)(F)CC2)O1 ZINC000757146423 586428912 /nfs/dbraw/zinc/42/89/12/586428912.db2.gz KUORGHCTVBDSAC-JTQLQIEISA-N 1 0 233.302 3.071 10 0 BGAERO CCC[C@@H]1CC[NH2+]C2(CCC(F)(F)CC2)O1 ZINC000757146429 582530191 /nfs/dbraw/zinc/53/01/91/582530191.db2.gz KUORGHCTVBDSAC-SNVBAGLBSA-N 1 0 233.302 3.071 10 0 BGAERO CC[C@]1(C)CCOC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757146729 582529683 /nfs/dbraw/zinc/52/96/83/582529683.db2.gz LFGLRERVYYHZFT-CYBMUJFWSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@@]1(C)CCOC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757146736 582529764 /nfs/dbraw/zinc/52/97/64/582529764.db2.gz LFGLRERVYYHZFT-ZDUSSCGKSA-N 1 0 225.376 3.462 10 0 BGAERO Cc1cc(CC2([NH3+])CC(C)C2)ccc1Cl ZINC000757146746 582529833 /nfs/dbraw/zinc/52/98/33/582529833.db2.gz RJTZEVQOLVXDBM-UHFFFAOYSA-N 1 0 223.747 3.318 10 0 BGAERO CC[C@@](C)([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757146779 582530174 /nfs/dbraw/zinc/53/01/74/582530174.db2.gz RNJUSTZPYBTODS-GFCCVEGCSA-N 1 0 211.736 3.318 10 0 BGAERO CC[C@](C)([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757146785 582530319 /nfs/dbraw/zinc/53/03/19/582530319.db2.gz RNJUSTZPYBTODS-LBPRGKRZSA-N 1 0 211.736 3.318 10 0 BGAERO CCCC1(CCC)[NH2+]CC[C@H](C2CC2)O1 ZINC000757146798 586428780 /nfs/dbraw/zinc/42/87/80/586428780.db2.gz LKOVQFGDDHJQPY-GFCCVEGCSA-N 1 0 211.349 3.071 10 0 BGAERO CCCC1(CCC)[NH2+]CC[C@@H](C2CC2)O1 ZINC000757146805 586428930 /nfs/dbraw/zinc/42/89/30/586428930.db2.gz LKOVQFGDDHJQPY-LBPRGKRZSA-N 1 0 211.349 3.071 10 0 BGAERO C[C@H]1CCOC2(CCC(C(C)(C)C)CC2)[NH2+]1 ZINC000757146884 582530485 /nfs/dbraw/zinc/53/04/85/582530485.db2.gz KOZMSHGDRGUKHF-DCBWTQNWSA-N 1 0 225.376 3.317 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccccc2)c(C)c(C)c1O ZINC000757146886 582530546 /nfs/dbraw/zinc/53/05/46/582530546.db2.gz VYCHCRWEVHWDGB-HNNXBMFYSA-N 1 0 241.334 3.366 10 0 BGAERO C[C@@H]1CCOC2(CCC(C(C)(C)C)CC2)[NH2+]1 ZINC000757146887 582530228 /nfs/dbraw/zinc/53/02/28/582530228.db2.gz KOZMSHGDRGUKHF-LKSINWNRSA-N 1 0 225.376 3.317 10 0 BGAERO CC1(C)CC[C@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757146888 582530119 /nfs/dbraw/zinc/53/01/19/582530119.db2.gz RKJJFYJBIMJHQT-AWEZNQCLSA-N 1 0 225.376 3.317 10 0 BGAERO CCC[C@H]1CCO[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757146890 582530515 /nfs/dbraw/zinc/53/05/15/582530515.db2.gz RNGKHGMWIJETCI-GXTWGEPZSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@H]1CCO[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757146900 582530426 /nfs/dbraw/zinc/53/04/26/582530426.db2.gz RNGKHGMWIJETCI-JSGCOSHPSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@@H]1CCO[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757146902 582530246 /nfs/dbraw/zinc/53/02/46/582530246.db2.gz RNGKHGMWIJETCI-OCCSQVGLSA-N 1 0 225.376 3.462 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccccc2)c(C)c(C)c1O ZINC000757146906 582530608 /nfs/dbraw/zinc/53/06/08/582530608.db2.gz VYCHCRWEVHWDGB-OAHLLOKOSA-N 1 0 241.334 3.366 10 0 BGAERO CC1(C)CC[C@@]2(C1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757146910 582530168 /nfs/dbraw/zinc/53/01/68/582530168.db2.gz RKJJFYJBIMJHQT-CQSZACIVSA-N 1 0 225.376 3.317 10 0 BGAERO CC1(C)CC2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757146911 582530366 /nfs/dbraw/zinc/53/03/66/582530366.db2.gz KQFAFSISGBPHIK-UHFFFAOYSA-N 1 0 223.360 3.073 10 0 BGAERO CCC[C@@H]1CCO[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757146930 582530382 /nfs/dbraw/zinc/53/03/82/582530382.db2.gz RNGKHGMWIJETCI-TZMCWYRMSA-N 1 0 225.376 3.462 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757146939 582530332 /nfs/dbraw/zinc/53/03/32/582530332.db2.gz KVEIBIMRVMGURR-DZGCQCFKSA-N 1 0 237.387 3.319 10 0 BGAERO CC(C)(C)C1CCC2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757146944 582530628 /nfs/dbraw/zinc/53/06/28/582530628.db2.gz ROAPNEGTJYKUJK-UHFFFAOYSA-N 1 0 237.387 3.319 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757146948 582530196 /nfs/dbraw/zinc/53/01/96/582530196.db2.gz KVEIBIMRVMGURR-HIFRSBDPSA-N 1 0 237.387 3.319 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757146952 582530268 /nfs/dbraw/zinc/53/02/68/582530268.db2.gz KVEIBIMRVMGURR-UKRRQHHQSA-N 1 0 237.387 3.319 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757146973 582530149 /nfs/dbraw/zinc/53/01/49/582530149.db2.gz KVEIBIMRVMGURR-ZFWWWQNUSA-N 1 0 237.387 3.319 10 0 BGAERO CCCC1(CCC)[NH2+][C@@H](C2CC2)CCO1 ZINC000757147001 582530843 /nfs/dbraw/zinc/53/08/43/582530843.db2.gz RPIBIYUEDMHICX-GFCCVEGCSA-N 1 0 211.349 3.071 10 0 BGAERO CCCC1(CCC)[NH2+][C@H](C2CC2)CCO1 ZINC000757147008 582530835 /nfs/dbraw/zinc/53/08/35/582530835.db2.gz RPIBIYUEDMHICX-LBPRGKRZSA-N 1 0 211.349 3.071 10 0 BGAERO CCC1(CC)[NH2+][C@@H](c2ccccc2F)CCO1 ZINC000757147047 582530869 /nfs/dbraw/zinc/53/08/69/582530869.db2.gz LAZJHINVCQXJHJ-CYBMUJFWSA-N 1 0 237.318 3.393 10 0 BGAERO CCC[C@@H]([NH3+])c1ccc(O)c(C(C)(C)C)c1 ZINC000757147053 582530990 /nfs/dbraw/zinc/53/09/90/582530990.db2.gz WLZRJWLMXGIDTC-GFCCVEGCSA-N 1 0 221.344 3.490 10 0 BGAERO CCC1(CC)[NH2+][C@H](c2ccccc2F)CCO1 ZINC000757147054 582530905 /nfs/dbraw/zinc/53/09/05/582530905.db2.gz LAZJHINVCQXJHJ-ZDUSSCGKSA-N 1 0 237.318 3.393 10 0 BGAERO CCC[C@H]([NH3+])c1ccc(O)c(C(C)(C)C)c1 ZINC000757147061 582530912 /nfs/dbraw/zinc/53/09/12/582530912.db2.gz WLZRJWLMXGIDTC-LBPRGKRZSA-N 1 0 221.344 3.490 10 0 BGAERO CC1(C)CC2(C1)[NH2+]CC1(CCC1)C1(CCC1)O2 ZINC000757147081 582530447 /nfs/dbraw/zinc/53/04/47/582530447.db2.gz RVJJDVSHSNMOSM-UHFFFAOYSA-N 1 0 235.371 3.216 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@]2(CCCC(C)(C)C2)OC1 ZINC000757147173 643326941 /nfs/dbraw/zinc/32/69/41/643326941.db2.gz MBYRJPHEYVSBEH-GXTWGEPZSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)[C@H]1OC2(CCCCC2)[NH2+]CC12CC2 ZINC000757147178 582531547 /nfs/dbraw/zinc/53/15/47/582531547.db2.gz RXSPGEKFMXXQMX-GFCCVEGCSA-N 1 0 223.360 3.071 10 0 BGAERO CC(C)[C@@H]1OC2(CCCCC2)[NH2+]CC12CC2 ZINC000757147185 582531657 /nfs/dbraw/zinc/53/16/57/582531657.db2.gz RXSPGEKFMXXQMX-LBPRGKRZSA-N 1 0 223.360 3.071 10 0 BGAERO CC(C)[C@H]1C[NH2+][C@@]2(CCCC(C)(C)C2)OC1 ZINC000757147195 586428969 /nfs/dbraw/zinc/42/89/69/586428969.db2.gz MBYRJPHEYVSBEH-JSGCOSHPSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@@]2(CCCC(C)(C)C2)OC1 ZINC000757147200 586428742 /nfs/dbraw/zinc/42/87/42/586428742.db2.gz MBYRJPHEYVSBEH-OCCSQVGLSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)[C@@H]1C[NH2+][C@]2(CCCC(C)(C)C2)OC1 ZINC000757147236 586428961 /nfs/dbraw/zinc/42/89/61/586428961.db2.gz MBYRJPHEYVSBEH-TZMCWYRMSA-N 1 0 225.376 3.175 10 0 BGAERO Cc1cc(C[C@@]2(C)CCC[NH2+]2)ccc1Cl ZINC000757147265 582531266 /nfs/dbraw/zinc/53/12/66/582531266.db2.gz BEBQHAOOJWLMOU-CYBMUJFWSA-N 1 0 223.747 3.333 10 0 BGAERO Cc1cc(C[C@]2(C)CCC[NH2+]2)ccc1Cl ZINC000757147266 582531373 /nfs/dbraw/zinc/53/13/73/582531373.db2.gz BEBQHAOOJWLMOU-ZDUSSCGKSA-N 1 0 223.747 3.333 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757147400 582531440 /nfs/dbraw/zinc/53/14/40/582531440.db2.gz LRYOUMQJVBFIQA-UHFFFAOYSA-N 1 0 237.387 3.462 10 0 BGAERO Cc1cc(C[NH2+]CCC(F)F)ccc1Cl ZINC000757147506 582531971 /nfs/dbraw/zinc/53/19/71/582531971.db2.gz CHZGNXHDSGEYNM-UHFFFAOYSA-N 1 0 233.689 3.393 10 0 BGAERO Cc1cc([C@@H]([NH3+])C(C)C)c(C(C)C)cc1O ZINC000757147605 582531309 /nfs/dbraw/zinc/53/13/09/582531309.db2.gz XXPHRPQJMKQFMS-AWEZNQCLSA-N 1 0 221.344 3.480 10 0 BGAERO Cc1cc([C@H]([NH3+])C(C)C)c(C(C)C)cc1O ZINC000757147612 582531581 /nfs/dbraw/zinc/53/15/81/582531581.db2.gz XXPHRPQJMKQFMS-CQSZACIVSA-N 1 0 221.344 3.480 10 0 BGAERO CC(C)[C@@H]([NH3+])c1ccc(O)c(C(C)(C)C)c1 ZINC000757147633 582531609 /nfs/dbraw/zinc/53/16/09/582531609.db2.gz YNIWNZCWASGEOR-CYBMUJFWSA-N 1 0 221.344 3.346 10 0 BGAERO CC(C)[C@H]([NH3+])c1ccc(O)c(C(C)(C)C)c1 ZINC000757147642 582531502 /nfs/dbraw/zinc/53/15/02/582531502.db2.gz YNIWNZCWASGEOR-ZDUSSCGKSA-N 1 0 221.344 3.346 10 0 BGAERO C[C@@H]1CCOC2(CCC(c3ccccc3)CC2)[NH2+]1 ZINC000757147675 582531355 /nfs/dbraw/zinc/53/13/55/582531355.db2.gz MAPKGXBXONHRRN-IUDNXUCKSA-N 1 0 245.366 3.439 10 0 BGAERO C[C@H]1CCOC2(CCC(c3ccccc3)CC2)[NH2+]1 ZINC000757147689 582531274 /nfs/dbraw/zinc/53/12/74/582531274.db2.gz MAPKGXBXONHRRN-JEYLPNPQSA-N 1 0 245.366 3.439 10 0 BGAERO Cc1cc([C@@H]([NH3+])c2ccccc2)c(C)cc1O ZINC000757147833 582532246 /nfs/dbraw/zinc/53/22/46/582532246.db2.gz ZLDABTKZTUNMOI-HNNXBMFYSA-N 1 0 227.307 3.057 10 0 BGAERO Cc1cc([C@H]([NH3+])c2ccccc2)c(C)cc1O ZINC000757147835 582532217 /nfs/dbraw/zinc/53/22/17/582532217.db2.gz ZLDABTKZTUNMOI-OAHLLOKOSA-N 1 0 227.307 3.057 10 0 BGAERO CC[C@@H]([NH3+])c1cc(C(C)(C)C)c(O)cc1C ZINC000757147836 582531885 /nfs/dbraw/zinc/53/18/85/582531885.db2.gz ZLULYPDVLCMRDC-GFCCVEGCSA-N 1 0 221.344 3.408 10 0 BGAERO CC[C@H]([NH3+])c1cc(C(C)(C)C)c(O)cc1C ZINC000757147837 582532027 /nfs/dbraw/zinc/53/20/27/582532027.db2.gz ZLULYPDVLCMRDC-LBPRGKRZSA-N 1 0 221.344 3.408 10 0 BGAERO CC1(C)CC(C)(C)CC2(C1)[NH2+]CC1(CC1)CO2 ZINC000757147865 582532143 /nfs/dbraw/zinc/53/21/43/582532143.db2.gz SYYFEUXQKGNOMM-UHFFFAOYSA-N 1 0 237.387 3.319 10 0 BGAERO C[C@H]1[NH2+]C2(CCCCCCC2)OCC12CC2 ZINC000757147944 582532067 /nfs/dbraw/zinc/53/20/67/582532067.db2.gz TUUNHANZSNZNSC-GFCCVEGCSA-N 1 0 223.360 3.216 10 0 BGAERO C[C@@H]1[NH2+]C2(CCCCCCC2)OCC12CC2 ZINC000757147959 582532237 /nfs/dbraw/zinc/53/22/37/582532237.db2.gz TUUNHANZSNZNSC-LBPRGKRZSA-N 1 0 223.360 3.216 10 0 BGAERO CC[C@@]1(C)CCO[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757148301 582533257 /nfs/dbraw/zinc/53/32/57/582533257.db2.gz MYZIXXHRTSIJGD-KBPBESRZSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@]1(C)CCO[C@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757148317 582532926 /nfs/dbraw/zinc/53/29/26/582532926.db2.gz MYZIXXHRTSIJGD-KGLIPLIRSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@@]1(C)CCO[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757148326 582532903 /nfs/dbraw/zinc/53/29/03/582532903.db2.gz MYZIXXHRTSIJGD-UONOGXRCSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@]1(C)CCO[C@@]2(CCCC(C)(C)C2)[NH2+]1 ZINC000757148346 582532871 /nfs/dbraw/zinc/53/28/71/582532871.db2.gz MYZIXXHRTSIJGD-ZIAGYGMSSA-N 1 0 225.376 3.462 10 0 BGAERO CCCC1(CCC)[NH2+][C@](C)(CC)CCO1 ZINC000757148602 582532894 /nfs/dbraw/zinc/53/28/94/582532894.db2.gz NPPXWTNSIOVKEJ-GFCCVEGCSA-N 1 0 213.365 3.462 10 0 BGAERO CCCC1(CCC)[NH2+][C@@](C)(CC)CCO1 ZINC000757148607 582532618 /nfs/dbraw/zinc/53/26/18/582532618.db2.gz NPPXWTNSIOVKEJ-LBPRGKRZSA-N 1 0 213.365 3.462 10 0 BGAERO CC1(C)CC[NH2+]C2(CCCCCCC2)O1 ZINC000757148752 582533200 /nfs/dbraw/zinc/53/32/00/582533200.db2.gz OCQRDGQOJHHVNT-UHFFFAOYSA-N 1 0 211.349 3.216 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+][C@@H](C)C[C@H](C)O2 ZINC000757148756 582532602 /nfs/dbraw/zinc/53/26/02/582532602.db2.gz NUNPOWUZGAPBBK-FEPKRQSRSA-N 1 0 225.376 3.316 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+][C@H](C)C[C@@H](C)O2 ZINC000757148761 582532904 /nfs/dbraw/zinc/53/29/04/582532904.db2.gz NUNPOWUZGAPBBK-IWMBGFJWSA-N 1 0 225.376 3.316 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+][C@H](C)C[C@H](C)O2 ZINC000757148778 582533262 /nfs/dbraw/zinc/53/32/62/582533262.db2.gz NUNPOWUZGAPBBK-KBHBFKLGSA-N 1 0 225.376 3.316 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+][C@@H](C)C[C@@H](C)O2 ZINC000757148789 582532788 /nfs/dbraw/zinc/53/27/88/582532788.db2.gz NUNPOWUZGAPBBK-MRFVTOPCSA-N 1 0 225.376 3.316 10 0 BGAERO C[C@@H]1C[C@H](C)C[C@@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757148798 582533039 /nfs/dbraw/zinc/53/30/39/582533039.db2.gz OIFHUTIVOZLKRG-IMRBUKKESA-N 1 0 223.360 3.071 10 0 BGAERO CCC[C@H]1CCOC2(CCC(C)CC2)[NH2+]1 ZINC000757148801 582533258 /nfs/dbraw/zinc/53/32/58/582533258.db2.gz VWHILRKGXMCKOF-CPCZMJQVSA-N 1 0 211.349 3.071 10 0 BGAERO C[C@H]1C[C@H](C)CC2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757148811 582532231 /nfs/dbraw/zinc/53/22/31/582532231.db2.gz OIFHUTIVOZLKRG-RYUDHWBXSA-N 1 0 223.360 3.071 10 0 BGAERO C[C@@H]1C[C@@H](C)CC2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757148821 582533238 /nfs/dbraw/zinc/53/32/38/582533238.db2.gz OIFHUTIVOZLKRG-VXGBXAGGSA-N 1 0 223.360 3.071 10 0 BGAERO CCC[C@@H]1CCOC2(CCC(C)CC2)[NH2+]1 ZINC000757148824 582532688 /nfs/dbraw/zinc/53/26/88/582532688.db2.gz VWHILRKGXMCKOF-OTTFEQOBSA-N 1 0 211.349 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757148857 582533087 /nfs/dbraw/zinc/53/30/87/582533087.db2.gz VXBCFNQAVXVTAQ-HRDQMINSSA-N 1 0 223.360 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757148872 582532878 /nfs/dbraw/zinc/53/28/78/582532878.db2.gz VXBCFNQAVXVTAQ-QRMWWUJWSA-N 1 0 223.360 3.071 10 0 BGAERO CCC[C@@H]1CC[NH2+]C2(CCC(C)(C)CC2)O1 ZINC000757148892 582532934 /nfs/dbraw/zinc/53/29/34/582532934.db2.gz OBVJFJOLFAQTRD-GFCCVEGCSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@H]1CC[NH2+]C2(CCC(C)(C)CC2)O1 ZINC000757148898 582532699 /nfs/dbraw/zinc/53/26/99/582532699.db2.gz OBVJFJOLFAQTRD-LBPRGKRZSA-N 1 0 225.376 3.462 10 0 BGAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757148946 582533281 /nfs/dbraw/zinc/53/32/81/582533281.db2.gz VXJAZEGOAGGASW-DZGCQCFKSA-N 1 0 237.387 3.463 10 0 BGAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757148960 582533495 /nfs/dbraw/zinc/53/34/95/582533495.db2.gz VXJAZEGOAGGASW-HIFRSBDPSA-N 1 0 237.387 3.463 10 0 BGAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757148967 582533491 /nfs/dbraw/zinc/53/34/91/582533491.db2.gz VXJAZEGOAGGASW-UKRRQHHQSA-N 1 0 237.387 3.463 10 0 BGAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757148985 582533502 /nfs/dbraw/zinc/53/35/02/582533502.db2.gz VXJAZEGOAGGASW-ZFWWWQNUSA-N 1 0 237.387 3.463 10 0 BGAERO CCC1(CC)O[C@@]2(CCSC2)[NH2+]CC1(C)C ZINC000757148986 582533448 /nfs/dbraw/zinc/53/34/48/582533448.db2.gz VSCKSLHNEPVFML-CYBMUJFWSA-N 1 0 243.416 3.024 10 0 BGAERO CCC1(CC)O[C@]2(CCSC2)[NH2+]CC1(C)C ZINC000757148993 582533482 /nfs/dbraw/zinc/53/34/82/582533482.db2.gz VSCKSLHNEPVFML-ZDUSSCGKSA-N 1 0 243.416 3.024 10 0 BGAERO CCC1(CC)CC[NH2+]C2(CC(C)(C)C2)O1 ZINC000757149042 643333895 /nfs/dbraw/zinc/33/38/95/643333895.db2.gz VUGLLTODQDKYNQ-UHFFFAOYSA-N 1 0 211.349 3.071 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757149054 643332089 /nfs/dbraw/zinc/33/20/89/643332089.db2.gz WCTCAAWKFWZLGN-BLZCZZARSA-N 1 0 237.387 3.317 10 0 BGAERO Cc1cc(C[C@@]2([NH3+])CC[C@@H]2C)ccc1Cl ZINC000757149061 643332304 /nfs/dbraw/zinc/33/23/04/643332304.db2.gz XJIUBMNYKQXLQP-GWCFXTLKSA-N 1 0 223.747 3.318 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757149062 643333027 /nfs/dbraw/zinc/33/30/27/643333027.db2.gz WCTCAAWKFWZLGN-HNFVBEJKSA-N 1 0 237.387 3.317 10 0 BGAERO Cc1cc(C[C@]2([NH3+])CC[C@@H]2C)ccc1Cl ZINC000757149066 643332236 /nfs/dbraw/zinc/33/22/36/643332236.db2.gz XJIUBMNYKQXLQP-GXFFZTMASA-N 1 0 223.747 3.318 10 0 BGAERO CCC1(CC)OC2(CCCC2)[NH2+]CC1(C)C ZINC000757149069 643333956 /nfs/dbraw/zinc/33/39/56/643333956.db2.gz VYGIVBHXQVAJPB-UHFFFAOYSA-N 1 0 225.376 3.462 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]C[C@H](C1CC1)CO2 ZINC000757149071 643333117 /nfs/dbraw/zinc/33/31/17/643333117.db2.gz PMKPCPDUHDEDNW-BLZCZZARSA-N 1 0 237.387 3.175 10 0 BGAERO Cc1cc(C[C@@]2([NH3+])CC[C@H]2C)ccc1Cl ZINC000757149073 643333205 /nfs/dbraw/zinc/33/32/05/643333205.db2.gz XJIUBMNYKQXLQP-MFKMUULPSA-N 1 0 223.747 3.318 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]C[C@@H](C1CC1)CO2 ZINC000757149074 643333695 /nfs/dbraw/zinc/33/36/95/643333695.db2.gz PMKPCPDUHDEDNW-HNFVBEJKSA-N 1 0 237.387 3.175 10 0 BGAERO Cc1cc(C[C@]2([NH3+])CC[C@H]2C)ccc1Cl ZINC000757149081 643332947 /nfs/dbraw/zinc/33/29/47/643332947.db2.gz XJIUBMNYKQXLQP-ZWNOBZJWSA-N 1 0 223.747 3.318 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757149090 643333688 /nfs/dbraw/zinc/33/36/88/643333688.db2.gz WMGVQCJPVBRJQY-AWEZNQCLSA-N 1 0 223.360 3.073 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757149094 643333761 /nfs/dbraw/zinc/33/37/61/643333761.db2.gz WMGVQCJPVBRJQY-CQSZACIVSA-N 1 0 223.360 3.073 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757149634 643334559 /nfs/dbraw/zinc/33/45/59/643334559.db2.gz WRYMQEJAFHLYSF-UHFFFAOYSA-N 1 0 237.387 3.463 10 0 BGAERO CC[C@H]1CCC[C@@]2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757149946 582534116 /nfs/dbraw/zinc/53/41/16/582534116.db2.gz WXBBRJNQVMBYNU-GXTWGEPZSA-N 1 0 223.360 3.073 10 0 BGAERO CC[C@H]1CCC[C@]2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757149950 582533861 /nfs/dbraw/zinc/53/38/61/582533861.db2.gz WXBBRJNQVMBYNU-JSGCOSHPSA-N 1 0 223.360 3.073 10 0 BGAERO CC1(C)C[NH2+]C2(CCC(F)(F)CC2)OC1(C)C ZINC000757149952 582534275 /nfs/dbraw/zinc/53/42/75/582534275.db2.gz WNGPGZQSJGEGIS-UHFFFAOYSA-N 1 0 247.329 3.317 10 0 BGAERO CC[C@@H]1CCC[C@]2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757149955 582533918 /nfs/dbraw/zinc/53/39/18/582533918.db2.gz WXBBRJNQVMBYNU-OCCSQVGLSA-N 1 0 223.360 3.073 10 0 BGAERO CC[C@@H]1CCC[C@@]2(CC1)[NH2+]CC1(CC1)CO2 ZINC000757149962 582533794 /nfs/dbraw/zinc/53/37/94/582533794.db2.gz WXBBRJNQVMBYNU-TZMCWYRMSA-N 1 0 223.360 3.073 10 0 BGAERO CCC1(CC)C[NH2+]C2(CCC(C)CC2)OC1 ZINC000757150118 582533682 /nfs/dbraw/zinc/53/36/82/582533682.db2.gz QBSIXMJPJAVRAZ-UHFFFAOYSA-N 1 0 225.376 3.319 10 0 BGAERO C/C=C/C[NH2+]Cc1ccc(Cl)c(C)c1 ZINC000757150145 582534255 /nfs/dbraw/zinc/53/42/55/582534255.db2.gz DXCDIWOFAKGMKZ-ONEGZZNKSA-N 1 0 209.720 3.314 10 0 BGAERO C[C@H]1CCC[C@@]2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757150147 582534069 /nfs/dbraw/zinc/53/40/69/582534069.db2.gz QCXYVFBTRSDAEW-DZGCQCFKSA-N 1 0 237.387 3.463 10 0 BGAERO C[C@@H]1CCC[C@]2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757150153 582534169 /nfs/dbraw/zinc/53/41/69/582534169.db2.gz QCXYVFBTRSDAEW-HIFRSBDPSA-N 1 0 237.387 3.463 10 0 BGAERO C[C@@H]1CCC[C@@]2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757150164 582533652 /nfs/dbraw/zinc/53/36/52/582533652.db2.gz QCXYVFBTRSDAEW-UKRRQHHQSA-N 1 0 237.387 3.463 10 0 BGAERO CC(C)[C@H]1O[C@]2(CCC(C)(C)C2)[NH2+]CC12CC2 ZINC000757150165 582533837 /nfs/dbraw/zinc/53/38/37/582533837.db2.gz XFTGHARTOSJAMT-DOMZBBRYSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)[C@H]1O[C@@]2(CCC(C)(C)C2)[NH2+]CC12CC2 ZINC000757150167 582533802 /nfs/dbraw/zinc/53/38/02/582533802.db2.gz XFTGHARTOSJAMT-IUODEOHRSA-N 1 0 237.387 3.317 10 0 BGAERO C[C@H]1CCC[C@]2(C1)[NH2+]CC1(CCCCC1)CO2 ZINC000757150168 582533812 /nfs/dbraw/zinc/53/38/12/582533812.db2.gz QCXYVFBTRSDAEW-ZFWWWQNUSA-N 1 0 237.387 3.463 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CC(C)(C)[C@H](C)O2 ZINC000757150178 582534268 /nfs/dbraw/zinc/53/42/68/582534268.db2.gz QDFUBQVYFJQPSI-DCBWTQNWSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@@H]1O[C@@]2(CCC(C)(C)C2)[NH2+]CC12CC2 ZINC000757150180 582533831 /nfs/dbraw/zinc/53/38/31/582533831.db2.gz XFTGHARTOSJAMT-SWLSCSKDSA-N 1 0 237.387 3.317 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CC(C)(C)[C@@H](C)O2 ZINC000757150186 582533660 /nfs/dbraw/zinc/53/36/60/582533660.db2.gz QDFUBQVYFJQPSI-LKSINWNRSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@@H]1O[C@]2(CCC(C)(C)C2)[NH2+]CC12CC2 ZINC000757150188 582534053 /nfs/dbraw/zinc/53/40/53/582534053.db2.gz XFTGHARTOSJAMT-WFASDCNBSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]CC1(CCC1)CO2 ZINC000757150196 582533739 /nfs/dbraw/zinc/53/37/39/582533739.db2.gz XVGHPERDUDDGNP-UHFFFAOYSA-N 1 0 237.387 3.319 10 0 BGAERO C1CC2(C1)C[NH2+]C1(CCCCCCC1)OC2 ZINC000757150198 582533680 /nfs/dbraw/zinc/53/36/80/582533680.db2.gz XXINMWLCMGKWMQ-UHFFFAOYSA-N 1 0 223.360 3.217 10 0 BGAERO CCC[C@H]1CCOC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757150210 582534248 /nfs/dbraw/zinc/53/42/48/582534248.db2.gz XZGPFTIKUGJWQG-JTQLQIEISA-N 1 0 233.302 3.071 10 0 BGAERO CCC[C@@H]1CCOC2(CCC(F)(F)CC2)[NH2+]1 ZINC000757150217 582534190 /nfs/dbraw/zinc/53/41/90/582534190.db2.gz XZGPFTIKUGJWQG-SNVBAGLBSA-N 1 0 233.302 3.071 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757150227 582534007 /nfs/dbraw/zinc/53/40/07/582534007.db2.gz XZQCVAIUNFJLNV-DZGCQCFKSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757150231 582534251 /nfs/dbraw/zinc/53/42/51/582534251.db2.gz XZQCVAIUNFJLNV-HIFRSBDPSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+][C@@H](C1CC1)CCO2 ZINC000757150235 582533845 /nfs/dbraw/zinc/53/38/45/582533845.db2.gz XZQCVAIUNFJLNV-UKRRQHHQSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+][C@H](C1CC1)CCO2 ZINC000757150241 582534043 /nfs/dbraw/zinc/53/40/43/582534043.db2.gz XZQCVAIUNFJLNV-ZFWWWQNUSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CC2(C1)[NH2+][C@H](Cc1ccccc1)CCO2 ZINC000757150270 582533729 /nfs/dbraw/zinc/53/37/29/582533729.db2.gz PJQVYWHMLNFPLP-AWEZNQCLSA-N 1 0 245.366 3.124 10 0 BGAERO CC1(C)CC2(C1)[NH2+][C@@H](Cc1ccccc1)CCO2 ZINC000757150274 582534176 /nfs/dbraw/zinc/53/41/76/582534176.db2.gz PJQVYWHMLNFPLP-CQSZACIVSA-N 1 0 245.366 3.124 10 0 BGAERO CC1CCC2(CC1)[NH2+]CC1(CCCC1)CO2 ZINC000757150308 582534031 /nfs/dbraw/zinc/53/40/31/582534031.db2.gz YCNHLLCQGRJVHL-UHFFFAOYSA-N 1 0 223.360 3.073 10 0 BGAERO C1CCC2(CC1)C[NH2+]C1(CCCCC1)OC2 ZINC000757150322 582535045 /nfs/dbraw/zinc/53/50/45/582535045.db2.gz QSAMXBGOMWENST-UHFFFAOYSA-N 1 0 223.360 3.217 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@@H](C)C1(CC1)CO2 ZINC000757150323 582534481 /nfs/dbraw/zinc/53/44/81/582534481.db2.gz XRLNLKYHPSFYLR-DCBWTQNWSA-N 1 0 223.360 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@H](C)C1(CC1)CO2 ZINC000757150331 582535096 /nfs/dbraw/zinc/53/50/96/582535096.db2.gz XRLNLKYHPSFYLR-LKSINWNRSA-N 1 0 223.360 3.071 10 0 BGAERO C1CC2(C1)C[NH2+]C1(CCCCC1)OC21CCC1 ZINC000757150344 582534708 /nfs/dbraw/zinc/53/47/08/582534708.db2.gz XTNIULLOIROKDP-UHFFFAOYSA-N 1 0 235.371 3.360 10 0 BGAERO CC(C)[C@H]1[NH2+]C2(CCCCC2)OCC1(C)C ZINC000757150384 582534486 /nfs/dbraw/zinc/53/44/86/582534486.db2.gz PQOCQTUAVQGCSL-GFCCVEGCSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@@H]1[NH2+]C2(CCCCC2)OCC1(C)C ZINC000757150388 582534771 /nfs/dbraw/zinc/53/47/71/582534771.db2.gz PQOCQTUAVQGCSL-LBPRGKRZSA-N 1 0 225.376 3.317 10 0 BGAERO CC1(C)CCC[C@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757150399 582534986 /nfs/dbraw/zinc/53/49/86/582534986.db2.gz YLMYYKOBDXMPKO-AWEZNQCLSA-N 1 0 223.360 3.073 10 0 BGAERO C[C@H]1CC(C)(C)O[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757150404 582535011 /nfs/dbraw/zinc/53/50/11/582535011.db2.gz PURUAYKGUXFMIM-GWCFXTLKSA-N 1 0 211.349 3.070 10 0 BGAERO C[C@H]1CC(C)(C)O[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757150408 582534920 /nfs/dbraw/zinc/53/49/20/582534920.db2.gz PURUAYKGUXFMIM-GXFFZTMASA-N 1 0 211.349 3.070 10 0 BGAERO CC1(C)CCC[C@@]2(C1)[NH2+]CC1(CCC1)CO2 ZINC000757150411 582534753 /nfs/dbraw/zinc/53/47/53/582534753.db2.gz YLMYYKOBDXMPKO-CQSZACIVSA-N 1 0 223.360 3.073 10 0 BGAERO CC1(C)CC[NH2+][C@@]2(CCCC(C)(C)CC2)O1 ZINC000757150414 582534704 /nfs/dbraw/zinc/53/47/04/582534704.db2.gz QYJWTLFXWRBHIS-AWEZNQCLSA-N 1 0 225.376 3.462 10 0 BGAERO C[C@@H]1CC(C)(C)O[C@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757150415 582534799 /nfs/dbraw/zinc/53/47/99/582534799.db2.gz PURUAYKGUXFMIM-MFKMUULPSA-N 1 0 211.349 3.070 10 0 BGAERO CC1(C)CC[NH2+][C@]2(CCCC(C)(C)CC2)O1 ZINC000757150421 582534976 /nfs/dbraw/zinc/53/49/76/582534976.db2.gz QYJWTLFXWRBHIS-CQSZACIVSA-N 1 0 225.376 3.462 10 0 BGAERO C[C@@H]1CC(C)(C)O[C@@]2(CCC(C)(C)C2)[NH2+]1 ZINC000757150422 582534768 /nfs/dbraw/zinc/53/47/68/582534768.db2.gz PURUAYKGUXFMIM-ZWNOBZJWSA-N 1 0 211.349 3.070 10 0 BGAERO CCC[C@H]1CC[NH2+]C2(CCC(C)CC2)O1 ZINC000757150481 582534802 /nfs/dbraw/zinc/53/48/02/582534802.db2.gz PWTXDMMIBLDZTM-CPCZMJQVSA-N 1 0 211.349 3.071 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757150483 582534574 /nfs/dbraw/zinc/53/45/74/582534574.db2.gz YKNMPMOGYZODSV-GWCFXTLKSA-N 1 0 247.329 3.317 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+]CC[C@@H](C(F)F)O2 ZINC000757150485 582535058 /nfs/dbraw/zinc/53/50/58/582535058.db2.gz YKNMPMOGYZODSV-GXFFZTMASA-N 1 0 247.329 3.317 10 0 BGAERO CCC[C@@H]1CC[NH2+]C2(CCC(C)CC2)O1 ZINC000757150489 582534884 /nfs/dbraw/zinc/53/48/84/582534884.db2.gz PWTXDMMIBLDZTM-OTTFEQOBSA-N 1 0 211.349 3.071 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757150497 582534557 /nfs/dbraw/zinc/53/45/57/582534557.db2.gz YKNMPMOGYZODSV-MFKMUULPSA-N 1 0 247.329 3.317 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+]CC[C@H](C(F)F)O2 ZINC000757150504 582534880 /nfs/dbraw/zinc/53/48/80/582534880.db2.gz YKNMPMOGYZODSV-ZWNOBZJWSA-N 1 0 247.329 3.317 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@@](C)(CC)CCO2 ZINC000757150509 582534813 /nfs/dbraw/zinc/53/48/13/582534813.db2.gz PXTVOJXXBGZVGQ-MOKVOYLWSA-N 1 0 225.376 3.462 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@](C)(CC)CCO2 ZINC000757150514 582534593 /nfs/dbraw/zinc/53/45/93/582534593.db2.gz PXTVOJXXBGZVGQ-ROKHWSDSSA-N 1 0 225.376 3.462 10 0 BGAERO C[C@@H]1CCOC2(CC(C)(C)CC(C)(C)C2)[NH2+]1 ZINC000757150547 582535050 /nfs/dbraw/zinc/53/50/50/582535050.db2.gz RLYZWTFJXZOKCT-LLVKDONJSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@H]1CCOC2(CC(C)(C)CC(C)(C)C2)[NH2+]1 ZINC000757150554 582534889 /nfs/dbraw/zinc/53/48/89/582534889.db2.gz RLYZWTFJXZOKCT-NSHDSACASA-N 1 0 225.376 3.317 10 0 BGAERO C[C@H]1CCC[C@@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150680 582534924 /nfs/dbraw/zinc/53/49/24/582534924.db2.gz RTHNNTMHXXWVOW-GXTWGEPZSA-N 1 0 223.360 3.216 10 0 BGAERO C[C@H]1CCC[C@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150692 582534735 /nfs/dbraw/zinc/53/47/35/582534735.db2.gz RTHNNTMHXXWVOW-JSGCOSHPSA-N 1 0 223.360 3.216 10 0 BGAERO C[C@@H]1CCC[C@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150701 582535020 /nfs/dbraw/zinc/53/50/20/582535020.db2.gz RTHNNTMHXXWVOW-OCCSQVGLSA-N 1 0 223.360 3.216 10 0 BGAERO C[C@@H]1CCC[C@@]2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757150710 582534584 /nfs/dbraw/zinc/53/45/84/582534584.db2.gz RTHNNTMHXXWVOW-TZMCWYRMSA-N 1 0 223.360 3.216 10 0 BGAERO CCCC1(CCC)[NH2+]CCC2(CCC2)O1 ZINC000757150725 582535075 /nfs/dbraw/zinc/53/50/75/582535075.db2.gz RYSTUUAVCOIWCM-UHFFFAOYSA-N 1 0 211.349 3.216 10 0 BGAERO Cc1cc(C[C@]2(C[NH3+])C[C@@H]2C)ccc1Cl ZINC000757150859 582534743 /nfs/dbraw/zinc/53/47/43/582534743.db2.gz GADXUQAWBQARFX-GWCFXTLKSA-N 1 0 223.747 3.176 10 0 BGAERO FC(F)[C@@H]1CC[NH2+]C2(CCCCCCC2)O1 ZINC000757151129 582535813 /nfs/dbraw/zinc/53/58/13/582535813.db2.gz YXCGELQCHCBYEA-JTQLQIEISA-N 1 0 233.302 3.071 10 0 BGAERO FC(F)[C@H]1CC[NH2+]C2(CCCCCCC2)O1 ZINC000757151135 582535437 /nfs/dbraw/zinc/53/54/37/582535437.db2.gz YXCGELQCHCBYEA-SNVBAGLBSA-N 1 0 233.302 3.071 10 0 BGAERO Cc1cc(C[C@@]2(C[NH3+])C[C@@H]2C)ccc1Cl ZINC000757151334 582535605 /nfs/dbraw/zinc/53/56/05/582535605.db2.gz GADXUQAWBQARFX-GXFFZTMASA-N 1 0 223.747 3.176 10 0 BGAERO Cc1cc(C[C@]2(C[NH3+])C[C@H]2C)ccc1Cl ZINC000757151337 582535614 /nfs/dbraw/zinc/53/56/14/582535614.db2.gz GADXUQAWBQARFX-MFKMUULPSA-N 1 0 223.747 3.176 10 0 BGAERO Cc1cc(C[C@@]2(C[NH3+])C[C@H]2C)ccc1Cl ZINC000757151338 582535544 /nfs/dbraw/zinc/53/55/44/582535544.db2.gz GADXUQAWBQARFX-ZWNOBZJWSA-N 1 0 223.747 3.176 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757151442 582536236 /nfs/dbraw/zinc/53/62/36/582536236.db2.gz SNQUMSDZHKVLLX-BXUZGUMPSA-N 1 0 225.376 3.317 10 0 BGAERO CCCC1(CCC)[NH2+][C@H](C)CC(C)(C)O1 ZINC000757151445 582536205 /nfs/dbraw/zinc/53/62/05/582536205.db2.gz QQQYTHDLKDPMCR-LLVKDONJSA-N 1 0 213.365 3.460 10 0 BGAERO CCCC1(CCC)[NH2+][C@@H](C)CC(C)(C)O1 ZINC000757151450 582536090 /nfs/dbraw/zinc/53/60/90/582536090.db2.gz QQQYTHDLKDPMCR-NSHDSACASA-N 1 0 213.365 3.460 10 0 BGAERO C[C@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757151451 582535909 /nfs/dbraw/zinc/53/59/09/582535909.db2.gz SNQUMSDZHKVLLX-FZMZJTMJSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@@H]1CC(C)(C)C[C@@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757151474 582536392 /nfs/dbraw/zinc/53/63/92/582536392.db2.gz SNQUMSDZHKVLLX-RISCZKNCSA-N 1 0 225.376 3.317 10 0 BGAERO C[NH2+][C@@H](C)CCc1ccc(Cl)c(C)c1 ZINC000757151477 582536290 /nfs/dbraw/zinc/53/62/90/582536290.db2.gz HEWZDFCBJHFSHZ-JTQLQIEISA-N 1 0 211.736 3.189 10 0 BGAERO C[NH2+][C@H](C)CCc1ccc(Cl)c(C)c1 ZINC000757151481 582536108 /nfs/dbraw/zinc/53/61/08/582536108.db2.gz HEWZDFCBJHFSHZ-SNVBAGLBSA-N 1 0 211.736 3.189 10 0 BGAERO C[C@H]1CC(C)(C)C[C@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757151484 586428939 /nfs/dbraw/zinc/42/89/39/586428939.db2.gz SNQUMSDZHKVLLX-SMDDNHRTSA-N 1 0 225.376 3.317 10 0 BGAERO Cc1cc(CC[C@@H]([NH3+])C2CC2)ccc1Cl ZINC000757151493 586429116 /nfs/dbraw/zinc/42/91/16/586429116.db2.gz HGESMDNGLGZNCC-CYBMUJFWSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(CC[C@H]([NH3+])C2CC2)ccc1Cl ZINC000757151495 586428997 /nfs/dbraw/zinc/42/89/97/586428997.db2.gz HGESMDNGLGZNCC-ZDUSSCGKSA-N 1 0 223.747 3.318 10 0 BGAERO CC[C@H]1CCC[C@@]2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757151561 582535394 /nfs/dbraw/zinc/53/53/94/582535394.db2.gz STENXCHSIKXJJF-GXTWGEPZSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@@]1(C)CCOC2(CCC(C)CC2)[NH2+]1 ZINC000757151567 582535340 /nfs/dbraw/zinc/53/53/40/582535340.db2.gz QUSATSVCFSDDOY-CPCZMJQVSA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@H]1CCC[C@]2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757151568 582535367 /nfs/dbraw/zinc/53/53/67/582535367.db2.gz STENXCHSIKXJJF-JSGCOSHPSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@]1(C)CCOC2(CCC(C)CC2)[NH2+]1 ZINC000757151570 582535400 /nfs/dbraw/zinc/53/54/00/582535400.db2.gz QUSATSVCFSDDOY-OTTFEQOBSA-N 1 0 211.349 3.071 10 0 BGAERO CC[C@@H]1CCC[C@]2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757151575 582535339 /nfs/dbraw/zinc/53/53/39/582535339.db2.gz STENXCHSIKXJJF-OCCSQVGLSA-N 1 0 225.376 3.462 10 0 BGAERO CC[C@@H]1CCC[C@@]2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757151577 582535703 /nfs/dbraw/zinc/53/57/03/582535703.db2.gz STENXCHSIKXJJF-TZMCWYRMSA-N 1 0 225.376 3.462 10 0 BGAERO Fc1ccccc1[C@H]1CCOC2(CCCC2)[NH2+]1 ZINC000757151597 582535524 /nfs/dbraw/zinc/53/55/24/582535524.db2.gz SVVGJOOSQVYSJR-CYBMUJFWSA-N 1 0 235.302 3.147 10 0 BGAERO Fc1ccccc1[C@@H]1CCOC2(CCCC2)[NH2+]1 ZINC000757151598 582535555 /nfs/dbraw/zinc/53/55/55/582535555.db2.gz SVVGJOOSQVYSJR-ZDUSSCGKSA-N 1 0 235.302 3.147 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757151655 586428681 /nfs/dbraw/zinc/42/86/81/586428681.db2.gz SWJUBKFBZMXANA-UHFFFAOYSA-N 1 0 211.349 3.071 10 0 BGAERO CC1CCC2(CC1)[NH2+]C[C@H](C(C)(C)C)CO2 ZINC000757151817 582536015 /nfs/dbraw/zinc/53/60/15/582536015.db2.gz RMNSKMAHIUMGIK-LXVYMNJGSA-N 1 0 225.376 3.175 10 0 BGAERO CC1CCC2(CC1)[NH2+]C[C@@H](C(C)(C)C)CO2 ZINC000757151831 582536160 /nfs/dbraw/zinc/53/61/60/582536160.db2.gz RMNSKMAHIUMGIK-MBHSVXNSSA-N 1 0 225.376 3.175 10 0 BGAERO CCC1(CC)C[NH2+][C@]2(CCC[C@H](C)C2)OC1 ZINC000757151839 582536125 /nfs/dbraw/zinc/53/61/25/582536125.db2.gz TZVZHURLXYOPEL-GXTWGEPZSA-N 1 0 225.376 3.319 10 0 BGAERO CCC1(CC)C[NH2+][C@@]2(CCC[C@H](C)C2)OC1 ZINC000757151853 582536217 /nfs/dbraw/zinc/53/62/17/582536217.db2.gz TZVZHURLXYOPEL-JSGCOSHPSA-N 1 0 225.376 3.319 10 0 BGAERO CCC1(CC)C[NH2+][C@@]2(CCC[C@@H](C)C2)OC1 ZINC000757151858 582536287 /nfs/dbraw/zinc/53/62/87/582536287.db2.gz TZVZHURLXYOPEL-OCCSQVGLSA-N 1 0 225.376 3.319 10 0 BGAERO CCC1(CC)C[NH2+][C@]2(CCC[C@@H](C)C2)OC1 ZINC000757151866 582536163 /nfs/dbraw/zinc/53/61/63/582536163.db2.gz TZVZHURLXYOPEL-TZMCWYRMSA-N 1 0 225.376 3.319 10 0 BGAERO C[C@H]1O[C@@]2(CCCC(C)(C)C2)[NH2+]CC1(C)C ZINC000757151905 582536294 /nfs/dbraw/zinc/53/62/94/582536294.db2.gz UDCSHKHNJMHMPY-BXUZGUMPSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@@H]1O[C@]2(CCCC(C)(C)C2)[NH2+]CC1(C)C ZINC000757151907 582536114 /nfs/dbraw/zinc/53/61/14/582536114.db2.gz UDCSHKHNJMHMPY-FZMZJTMJSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@H]1O[C@]2(CCCC(C)(C)C2)[NH2+]CC1(C)C ZINC000757151911 643340927 /nfs/dbraw/zinc/34/09/27/643340927.db2.gz UDCSHKHNJMHMPY-RISCZKNCSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@@H]1O[C@@]2(CCCC(C)(C)C2)[NH2+]CC1(C)C ZINC000757151917 643341547 /nfs/dbraw/zinc/34/15/47/643341547.db2.gz UDCSHKHNJMHMPY-SMDDNHRTSA-N 1 0 225.376 3.317 10 0 BGAERO CC1(C)CCC[C@@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757151924 643341004 /nfs/dbraw/zinc/34/10/04/643341004.db2.gz UEFQOTQBSLCXLG-CYBMUJFWSA-N 1 0 211.349 3.071 10 0 BGAERO CC1(C)CCC[C@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757151928 643341641 /nfs/dbraw/zinc/34/16/41/643341641.db2.gz UEFQOTQBSLCXLG-ZDUSSCGKSA-N 1 0 211.349 3.071 10 0 BGAERO CCCC1(CCC)[NH2+]CC(C)(C)[C@@H](C)O1 ZINC000757152023 643342767 /nfs/dbraw/zinc/34/27/67/643342767.db2.gz URFAWJYQSFQYAZ-LLVKDONJSA-N 1 0 213.365 3.317 10 0 BGAERO CCCC1(CCC)[NH2+]CC(C)(C)[C@H](C)O1 ZINC000757152029 643342778 /nfs/dbraw/zinc/34/27/78/643342778.db2.gz URFAWJYQSFQYAZ-NSHDSACASA-N 1 0 213.365 3.317 10 0 BGAERO C[C@H]1CCO[C@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757152034 643343313 /nfs/dbraw/zinc/34/33/13/643343313.db2.gz USJIMPLSKRZMFI-AAEUAGOBSA-N 1 0 211.349 3.071 10 0 BGAERO C[C@@H]1CCO[C@@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757152036 643343448 /nfs/dbraw/zinc/34/34/48/643343448.db2.gz USJIMPLSKRZMFI-DGCLKSJQSA-N 1 0 211.349 3.071 10 0 BGAERO C[C@H]1CCO[C@@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757152038 643344118 /nfs/dbraw/zinc/34/41/18/643344118.db2.gz USJIMPLSKRZMFI-WCQYABFASA-N 1 0 211.349 3.071 10 0 BGAERO C[C@@H]1CCO[C@]2(CCCC(C)(C)CC2)[NH2+]1 ZINC000757152042 643343759 /nfs/dbraw/zinc/34/37/59/643343759.db2.gz USJIMPLSKRZMFI-YPMHNXCESA-N 1 0 211.349 3.071 10 0 BGAERO Cc1cc(C[C@H](C[NH3+])C2CC2)ccc1Cl ZINC000757152353 586429296 /nfs/dbraw/zinc/42/92/96/586429296.db2.gz KIJVCDBPMORKTI-GFCCVEGCSA-N 1 0 223.747 3.176 10 0 BGAERO Cc1cc(C[C@@H](C[NH3+])C2CC2)ccc1Cl ZINC000757152355 586429447 /nfs/dbraw/zinc/42/94/47/586429447.db2.gz KIJVCDBPMORKTI-LBPRGKRZSA-N 1 0 223.747 3.176 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CCC1(CCC1)O2 ZINC000757152528 582536982 /nfs/dbraw/zinc/53/69/82/582536982.db2.gz UTJSPRXNTQMQNN-UHFFFAOYSA-N 1 0 223.360 3.216 10 0 BGAERO CCC[C@H]1CC[NH2+][C@]2(CCCC(C)(C)C2)O1 ZINC000757152706 582537702 /nfs/dbraw/zinc/53/77/02/582537702.db2.gz TZMIVFHSBIOBCV-GXTWGEPZSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@H]1CC[NH2+][C@@]2(CCCC(C)(C)C2)O1 ZINC000757152717 582537482 /nfs/dbraw/zinc/53/74/82/582537482.db2.gz TZMIVFHSBIOBCV-JSGCOSHPSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@@H]1CC[NH2+][C@@]2(CCCC(C)(C)C2)O1 ZINC000757152726 582537641 /nfs/dbraw/zinc/53/76/41/582537641.db2.gz TZMIVFHSBIOBCV-OCCSQVGLSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@@H]1CC[NH2+][C@]2(CCCC(C)(C)C2)O1 ZINC000757152736 582537790 /nfs/dbraw/zinc/53/77/90/582537790.db2.gz TZMIVFHSBIOBCV-TZMCWYRMSA-N 1 0 225.376 3.462 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@@H](C)CC(C)(C)O2 ZINC000757152739 582537346 /nfs/dbraw/zinc/53/73/46/582537346.db2.gz TZXNMSSFQDRTNZ-AKJDGMEZSA-N 1 0 211.349 3.070 10 0 BGAERO CC1CCC2(CC1)[NH2+][C@H](C)CC(C)(C)O2 ZINC000757152753 582537201 /nfs/dbraw/zinc/53/72/01/582537201.db2.gz TZXNMSSFQDRTNZ-QWKFWESOSA-N 1 0 211.349 3.070 10 0 BGAERO C[C@H]1OC2(CCC(C)(C)CC2)[NH2+]CC1(C)C ZINC000757152920 582537564 /nfs/dbraw/zinc/53/75/64/582537564.db2.gz VFPNBYOLEUQTMW-LLVKDONJSA-N 1 0 225.376 3.317 10 0 BGAERO C[C@@H]1OC2(CCC(C)(C)CC2)[NH2+]CC1(C)C ZINC000757152935 582537237 /nfs/dbraw/zinc/53/72/37/582537237.db2.gz VFPNBYOLEUQTMW-NSHDSACASA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@H]1CCC[C@@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757152976 586429655 /nfs/dbraw/zinc/42/96/55/586429655.db2.gz VIQWVQCPCMOZHC-GXTWGEPZSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@H]1CCC[C@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757152986 586429700 /nfs/dbraw/zinc/42/97/00/586429700.db2.gz VIQWVQCPCMOZHC-JSGCOSHPSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@@H]1CCC[C@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757153000 586429546 /nfs/dbraw/zinc/42/95/46/586429546.db2.gz VIQWVQCPCMOZHC-OCCSQVGLSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@@H]1CCC[C@@]2(C1)[NH2+]CCC(C)(C)O2 ZINC000757153003 582537741 /nfs/dbraw/zinc/53/77/41/582537741.db2.gz VIQWVQCPCMOZHC-TZMCWYRMSA-N 1 0 225.376 3.317 10 0 BGAERO CCC1(CC)C[NH2+][C@@]2(CCC(C)(C)C2)OC1 ZINC000757153062 586429701 /nfs/dbraw/zinc/42/97/01/586429701.db2.gz WIFOATUXWRTNMB-AWEZNQCLSA-N 1 0 225.376 3.319 10 0 BGAERO CCC1(CC)C[NH2+][C@]2(CCC(C)(C)C2)OC1 ZINC000757153065 586429746 /nfs/dbraw/zinc/42/97/46/586429746.db2.gz WIFOATUXWRTNMB-CQSZACIVSA-N 1 0 225.376 3.319 10 0 BGAERO Cc1cc(C[NH2+]C[C@@H](C)F)ccc1Cl ZINC000757153084 586429411 /nfs/dbraw/zinc/42/94/11/586429411.db2.gz MUYRUPLYYIETPN-SECBINFHSA-N 1 0 215.699 3.096 10 0 BGAERO Cc1cc(C[NH2+]C[C@H](C)F)ccc1Cl ZINC000757153085 586429395 /nfs/dbraw/zinc/42/93/95/586429395.db2.gz MUYRUPLYYIETPN-VIFPVBQESA-N 1 0 215.699 3.096 10 0 BGAERO C[NH2+][C@H](C)[C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757153213 586429530 /nfs/dbraw/zinc/42/95/30/586429530.db2.gz NYCGMEOMWYQMKG-GXSJLCMTSA-N 1 0 225.763 3.435 10 0 BGAERO C[NH2+][C@@H](C)[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757153216 586429679 /nfs/dbraw/zinc/42/96/79/586429679.db2.gz NYCGMEOMWYQMKG-KOLCDFICSA-N 1 0 225.763 3.435 10 0 BGAERO C[NH2+][C@H](C)[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757153219 586429506 /nfs/dbraw/zinc/42/95/06/586429506.db2.gz NYCGMEOMWYQMKG-MWLCHTKSSA-N 1 0 225.763 3.435 10 0 BGAERO C[NH2+][C@@H](C)[C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757153228 582538433 /nfs/dbraw/zinc/53/84/33/582538433.db2.gz NYCGMEOMWYQMKG-ONGXEEELSA-N 1 0 225.763 3.435 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757153335 582537081 /nfs/dbraw/zinc/53/70/81/582537081.db2.gz UTPQUJZCCMROSZ-GFCCVEGCSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757153341 582537731 /nfs/dbraw/zinc/53/77/31/582537731.db2.gz UTPQUJZCCMROSZ-LBPRGKRZSA-N 1 0 223.360 3.071 10 0 BGAERO CCC[C@H]1CC[NH2+][C@@]2(CCC(C)(C)C2)O1 ZINC000757153356 582537254 /nfs/dbraw/zinc/53/72/54/582537254.db2.gz UXMVIDOCPWCTPO-AAEUAGOBSA-N 1 0 211.349 3.071 10 0 BGAERO CCC[C@@H]1CC[NH2+][C@]2(CCC(C)(C)C2)O1 ZINC000757153358 582537089 /nfs/dbraw/zinc/53/70/89/582537089.db2.gz UXMVIDOCPWCTPO-DGCLKSJQSA-N 1 0 211.349 3.071 10 0 BGAERO CCC[C@H]1CC[NH2+][C@]2(CCC(C)(C)C2)O1 ZINC000757153359 582537782 /nfs/dbraw/zinc/53/77/82/582537782.db2.gz UXMVIDOCPWCTPO-WCQYABFASA-N 1 0 211.349 3.071 10 0 BGAERO CCC[C@@H]1CC[NH2+][C@@]2(CCC(C)(C)C2)O1 ZINC000757153361 582537197 /nfs/dbraw/zinc/53/71/97/582537197.db2.gz UXMVIDOCPWCTPO-YPMHNXCESA-N 1 0 211.349 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757153460 582538563 /nfs/dbraw/zinc/53/85/63/582538563.db2.gz WAIDAMXBTWEZQV-HRDQMINSSA-N 1 0 223.360 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757153465 582538573 /nfs/dbraw/zinc/53/85/73/582538573.db2.gz WAIDAMXBTWEZQV-QRMWWUJWSA-N 1 0 223.360 3.071 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@H](C)C[C@H](C)O2 ZINC000757153491 582538494 /nfs/dbraw/zinc/53/84/94/582538494.db2.gz WJMVOLVJCHAMGW-IALDZJHCSA-N 1 0 211.349 3.070 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@H](C)C[C@@H](C)O2 ZINC000757153492 582538411 /nfs/dbraw/zinc/53/84/11/582538411.db2.gz WJMVOLVJCHAMGW-OKZRHMCRSA-N 1 0 211.349 3.070 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@@H](C)C[C@@H](C)O2 ZINC000757153493 582538659 /nfs/dbraw/zinc/53/86/59/582538659.db2.gz WJMVOLVJCHAMGW-ZFDZMSFRSA-N 1 0 211.349 3.070 10 0 BGAERO CCC1CCC2(CC1)[NH2+][C@@H](C)C[C@H](C)O2 ZINC000757153496 582538040 /nfs/dbraw/zinc/53/80/40/582538040.db2.gz WJMVOLVJCHAMGW-ZSVAQUKISA-N 1 0 211.349 3.070 10 0 BGAERO C[C@@H]1C[C@@H](C)OC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757153501 582538477 /nfs/dbraw/zinc/53/84/77/582538477.db2.gz WRSRGIUPMWZOSR-GHMZBOCLSA-N 1 0 211.349 3.070 10 0 BGAERO C[C@@H]1C[C@H](C)OC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757153502 582538282 /nfs/dbraw/zinc/53/82/82/582538282.db2.gz WRSRGIUPMWZOSR-MNOVXSKESA-N 1 0 211.349 3.070 10 0 BGAERO C[C@H]1C[C@H](C)OC2(CCC(C)(C)CC2)[NH2+]1 ZINC000757153504 582538288 /nfs/dbraw/zinc/53/82/88/582538288.db2.gz WRSRGIUPMWZOSR-QWRGUYRKSA-N 1 0 211.349 3.070 10 0 BGAERO C[C@@H]1C[C@H](C)[NH2+]C2(CCC(C)(C)CC2)O1 ZINC000757153511 582538048 /nfs/dbraw/zinc/53/80/48/582538048.db2.gz WRSRGIUPMWZOSR-WDEREUQCSA-N 1 0 211.349 3.070 10 0 BGAERO CCC1CCC2(CC1)[NH2+]CCC(C)(C)O2 ZINC000757153513 582538160 /nfs/dbraw/zinc/53/81/60/582538160.db2.gz XEQNMHQRGIYSFG-UHFFFAOYSA-N 1 0 211.349 3.071 10 0 BGAERO CC1(C)CCC[C@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757153549 582537083 /nfs/dbraw/zinc/53/70/83/582537083.db2.gz XKVFNGMKTTVWAO-AWEZNQCLSA-N 1 0 223.360 3.216 10 0 BGAERO CC1(C)CCC[C@@]2(C1)[NH2+]CCC1(CCC1)O2 ZINC000757153552 582537120 /nfs/dbraw/zinc/53/71/20/582537120.db2.gz XKVFNGMKTTVWAO-CQSZACIVSA-N 1 0 223.360 3.216 10 0 BGAERO C1CC1[C@@H]1C[NH2+]C2(CCCCCCC2)OC1 ZINC000757153601 582539084 /nfs/dbraw/zinc/53/90/84/582539084.db2.gz YDVOTTKTOPZSGS-CYBMUJFWSA-N 1 0 223.360 3.073 10 0 BGAERO C1CC1[C@H]1C[NH2+]C2(CCCCCCC2)OC1 ZINC000757153603 582539079 /nfs/dbraw/zinc/53/90/79/582539079.db2.gz YDVOTTKTOPZSGS-ZDUSSCGKSA-N 1 0 223.360 3.073 10 0 BGAERO CC1CCC2(CC1)[NH2+]CC(C)(C)C(C)(C)O2 ZINC000757153661 582538543 /nfs/dbraw/zinc/53/85/43/582538543.db2.gz YPNBBXZLTKDASD-UHFFFAOYSA-N 1 0 225.376 3.317 10 0 BGAERO CC(C)[C@@H]1C[NH2+]C2(CCC(C)(C)CC2)OC1 ZINC000757153722 582538134 /nfs/dbraw/zinc/53/81/34/582538134.db2.gz XDRVAJRFOPJOBJ-GFCCVEGCSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)[C@H]1C[NH2+]C2(CCC(C)(C)CC2)OC1 ZINC000757153725 582538131 /nfs/dbraw/zinc/53/81/31/582538131.db2.gz XDRVAJRFOPJOBJ-LBPRGKRZSA-N 1 0 225.376 3.175 10 0 BGAERO C1CC1[C@H]1CC[NH2+]C2(CCCCCCC2)O1 ZINC000757153777 586429548 /nfs/dbraw/zinc/42/95/48/586429548.db2.gz XNZQGDHSLZPFEC-CYBMUJFWSA-N 1 0 223.360 3.216 10 0 BGAERO C1CC1[C@@H]1CC[NH2+]C2(CCCCCCC2)O1 ZINC000757153778 586429360 /nfs/dbraw/zinc/42/93/60/586429360.db2.gz XNZQGDHSLZPFEC-ZDUSSCGKSA-N 1 0 223.360 3.216 10 0 BGAERO CC(C)(C)[C@@H]1C[NH2+][C@]2(CCC(C)(C)C2)OC1 ZINC000757153798 582539251 /nfs/dbraw/zinc/53/92/51/582539251.db2.gz XPQNTDVKAYPPJI-BXUZGUMPSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)(C)[C@H]1C[NH2+][C@@]2(CCC(C)(C)C2)OC1 ZINC000757153800 582539392 /nfs/dbraw/zinc/53/93/92/582539392.db2.gz XPQNTDVKAYPPJI-FZMZJTMJSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)(C)[C@@H]1C[NH2+][C@@]2(CCC(C)(C)C2)OC1 ZINC000757153802 582538844 /nfs/dbraw/zinc/53/88/44/582538844.db2.gz XPQNTDVKAYPPJI-RISCZKNCSA-N 1 0 225.376 3.175 10 0 BGAERO CC(C)(C)[C@H]1C[NH2+][C@]2(CCC(C)(C)C2)OC1 ZINC000757153804 582539067 /nfs/dbraw/zinc/53/90/67/582539067.db2.gz XPQNTDVKAYPPJI-SMDDNHRTSA-N 1 0 225.376 3.175 10 0 BGAERO CC1(C)CC[C@@]2(C1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757153813 582539306 /nfs/dbraw/zinc/53/93/06/582539306.db2.gz XQLMCAOBTZKGIN-BXUZGUMPSA-N 1 0 235.327 3.237 10 0 BGAERO CC1(C)CC[C@]2(C1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757153814 582538808 /nfs/dbraw/zinc/53/88/08/582538808.db2.gz XQLMCAOBTZKGIN-FZMZJTMJSA-N 1 0 235.327 3.237 10 0 BGAERO CC1(C)CC[C@]2(C1)[NH2+][C@@H](c1ccco1)CCO2 ZINC000757153815 582538923 /nfs/dbraw/zinc/53/89/23/582538923.db2.gz XQLMCAOBTZKGIN-RISCZKNCSA-N 1 0 235.327 3.237 10 0 BGAERO CC1(C)CC[C@@]2(C1)[NH2+][C@H](c1ccco1)CCO2 ZINC000757153817 582539005 /nfs/dbraw/zinc/53/90/05/582539005.db2.gz XQLMCAOBTZKGIN-SMDDNHRTSA-N 1 0 235.327 3.237 10 0 BGAERO C[C@@H]1C[C@H](C)OC2(CCCCCCC2)[NH2+]1 ZINC000757153833 582539121 /nfs/dbraw/zinc/53/91/21/582539121.db2.gz XYIJOKSWBMGGNN-NEPJUHHUSA-N 1 0 211.349 3.214 10 0 BGAERO C[C@@H]1C[C@H](C)[NH2+]C2(CCCCCCC2)O1 ZINC000757153835 582539382 /nfs/dbraw/zinc/53/93/82/582539382.db2.gz XYIJOKSWBMGGNN-NWDGAFQWSA-N 1 0 211.349 3.214 10 0 BGAERO C[C@H]1C[C@H](C)OC2(CCCCCCC2)[NH2+]1 ZINC000757153837 582538956 /nfs/dbraw/zinc/53/89/56/582538956.db2.gz XYIJOKSWBMGGNN-RYUDHWBXSA-N 1 0 211.349 3.214 10 0 BGAERO C[C@@H]1C[C@@H](C)OC2(CCCCCCC2)[NH2+]1 ZINC000757153839 582538947 /nfs/dbraw/zinc/53/89/47/582538947.db2.gz XYIJOKSWBMGGNN-VXGBXAGGSA-N 1 0 211.349 3.214 10 0 BGAERO CC(C)[C@@H]1C[NH2+]C2(CCCCCCC2)OC1 ZINC000757153851 582539001 /nfs/dbraw/zinc/53/90/01/582539001.db2.gz YCCHXTFNFAYPJO-CYBMUJFWSA-N 1 0 225.376 3.319 10 0 BGAERO CC(C)[C@H]1C[NH2+]C2(CCCCCCC2)OC1 ZINC000757153857 582538192 /nfs/dbraw/zinc/53/81/92/582538192.db2.gz YCCHXTFNFAYPJO-ZDUSSCGKSA-N 1 0 225.376 3.319 10 0 BGAERO CC1(C)CCC[C@@]2(C1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757153904 582538946 /nfs/dbraw/zinc/53/89/46/582538946.db2.gz YJXPRAOZQPUTSU-GXTWGEPZSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC[C@]2(C1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757153908 582539365 /nfs/dbraw/zinc/53/93/65/582539365.db2.gz YJXPRAOZQPUTSU-JSGCOSHPSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC[C@]2(C1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757153916 582539252 /nfs/dbraw/zinc/53/92/52/582539252.db2.gz YJXPRAOZQPUTSU-OCCSQVGLSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC[C@@]2(C1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757153917 582539407 /nfs/dbraw/zinc/53/94/07/582539407.db2.gz YJXPRAOZQPUTSU-TZMCWYRMSA-N 1 0 223.360 3.071 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757153923 582538884 /nfs/dbraw/zinc/53/88/84/582538884.db2.gz YLXLYRRPFPADOB-DZGCQCFKSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757153925 582539261 /nfs/dbraw/zinc/53/92/61/582539261.db2.gz YLXLYRRPFPADOB-HIFRSBDPSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC[C@@]2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757153926 582539021 /nfs/dbraw/zinc/53/90/21/582539021.db2.gz YLXLYRRPFPADOB-UKRRQHHQSA-N 1 0 237.387 3.462 10 0 BGAERO CC1(C)CCC[C@]2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757153929 582538962 /nfs/dbraw/zinc/53/89/62/582538962.db2.gz YLXLYRRPFPADOB-ZFWWWQNUSA-N 1 0 237.387 3.462 10 0 BGAERO CCSC[C@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757154053 586429757 /nfs/dbraw/zinc/42/97/57/586429757.db2.gz UVTVVDCLGUTRLN-LLVKDONJSA-N 1 0 243.803 3.271 10 0 BGAERO CCSC[C@@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757154057 582539410 /nfs/dbraw/zinc/53/94/10/582539410.db2.gz UVTVVDCLGUTRLN-NSHDSACASA-N 1 0 243.803 3.271 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]CC[C@@H](C1CC1)O2 ZINC000757154159 586430190 /nfs/dbraw/zinc/43/01/90/586430190.db2.gz ZBGBNBONTZIAFK-BLZCZZARSA-N 1 0 237.387 3.317 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]CC[C@H](C1CC1)O2 ZINC000757154161 586430048 /nfs/dbraw/zinc/43/00/48/586430048.db2.gz ZBGBNBONTZIAFK-HNFVBEJKSA-N 1 0 237.387 3.317 10 0 BGAERO C1CCC2(CC1)CCOC1(CCCCC1)[NH2+]2 ZINC000757154178 643347152 /nfs/dbraw/zinc/34/71/52/643347152.db2.gz ZGYHEYWTVSYANG-UHFFFAOYSA-N 1 0 223.360 3.360 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]C[C@@H](C(C)C)CO2 ZINC000757154304 586430151 /nfs/dbraw/zinc/43/01/51/586430151.db2.gz ZURBNNXSYGHBEL-SHARSMKWSA-N 1 0 239.403 3.421 10 0 BGAERO CC(C)C1CCC2(CC1)[NH2+]C[C@H](C(C)C)CO2 ZINC000757154308 586430254 /nfs/dbraw/zinc/43/02/54/586430254.db2.gz ZURBNNXSYGHBEL-SLTAFYQDSA-N 1 0 239.403 3.421 10 0 BGAERO CCC[C@H]1CC[NH2+]C2(CCC(CC)CC2)O1 ZINC000757154314 582539265 /nfs/dbraw/zinc/53/92/65/582539265.db2.gz ZVJKXMOSLQJTIM-MOKVOYLWSA-N 1 0 225.376 3.462 10 0 BGAERO CCC[C@@H]1CC[NH2+]C2(CCC(CC)CC2)O1 ZINC000757154317 582539395 /nfs/dbraw/zinc/53/93/95/582539395.db2.gz ZVJKXMOSLQJTIM-ROKHWSDSSA-N 1 0 225.376 3.462 10 0 BGAERO CCC1(CC)[NH2+][C@H](Cc2ccccc2)CCO1 ZINC000757154352 586430268 /nfs/dbraw/zinc/43/02/68/586430268.db2.gz ZYSFCHAGKYRCPA-AWEZNQCLSA-N 1 0 233.355 3.124 10 0 BGAERO CCC1(CC)[NH2+][C@@H](Cc2ccccc2)CCO1 ZINC000757154356 582538983 /nfs/dbraw/zinc/53/89/83/582538983.db2.gz ZYSFCHAGKYRCPA-CQSZACIVSA-N 1 0 233.355 3.124 10 0 BGAERO Cc1cc(CC2([C@H](C)[NH3+])CC2)ccc1Cl ZINC000757154365 582539053 /nfs/dbraw/zinc/53/90/53/582539053.db2.gz XMIXZFACGKOJHV-JTQLQIEISA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(CC2([C@@H](C)[NH3+])CC2)ccc1Cl ZINC000757154368 582539113 /nfs/dbraw/zinc/53/91/13/582539113.db2.gz XMIXZFACGKOJHV-SNVBAGLBSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(/C=C2/CCC[NH2+]C2)ccc1Cl ZINC000757155351 643346296 /nfs/dbraw/zinc/34/62/96/643346296.db2.gz ABOFQWLPNPHIFX-WQLSENKSSA-N 1 0 221.731 3.415 10 0 BGAERO CSC[C@](C)([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757155403 582539634 /nfs/dbraw/zinc/53/96/34/582539634.db2.gz AYIJGLPOYFDGIE-GFCCVEGCSA-N 1 0 243.803 3.271 10 0 BGAERO CSC[C@@](C)([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757155405 582540068 /nfs/dbraw/zinc/54/00/68/582540068.db2.gz AYIJGLPOYFDGIE-LBPRGKRZSA-N 1 0 243.803 3.271 10 0 BGAERO Cc1cc(C=C2CC([NH3+])C2)ccc1Cl ZINC000757155411 582540057 /nfs/dbraw/zinc/54/00/57/582540057.db2.gz BBIWPYCDGUUZBY-UHFFFAOYSA-N 1 0 207.704 3.153 10 0 BGAERO Cc1cc(C[C@@H]2CCC[C@@H]2[NH3+])ccc1Cl ZINC000757155413 582539653 /nfs/dbraw/zinc/53/96/53/582539653.db2.gz BENNUTIJFMCHGX-AAEUAGOBSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000757155414 582540077 /nfs/dbraw/zinc/54/00/77/582540077.db2.gz BENNUTIJFMCHGX-DGCLKSJQSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@@H]2CCC[C@H]2[NH3+])ccc1Cl ZINC000757155415 582539798 /nfs/dbraw/zinc/53/97/98/582539798.db2.gz BENNUTIJFMCHGX-WCQYABFASA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@H]2CCC[C@@H]2[NH3+])ccc1Cl ZINC000757155416 582539657 /nfs/dbraw/zinc/53/96/57/582539657.db2.gz BENNUTIJFMCHGX-YPMHNXCESA-N 1 0 223.747 3.318 10 0 BGAERO C/C(=C\CC[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757155458 586429990 /nfs/dbraw/zinc/42/99/90/586429990.db2.gz CJVXCPCFDRSMAS-ONNFQVAWSA-N 1 0 223.747 3.486 10 0 BGAERO CSCC[C@@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757155462 586430173 /nfs/dbraw/zinc/43/01/73/586430173.db2.gz CTCWSSQGYFFNND-LLVKDONJSA-N 1 0 243.803 3.271 10 0 BGAERO CSCC[C@H]([NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757155463 586430191 /nfs/dbraw/zinc/43/01/91/586430191.db2.gz CTCWSSQGYFFNND-NSHDSACASA-N 1 0 243.803 3.271 10 0 BGAERO C[NH2+]C[C@@H](C)CCc1ccc(Cl)c(C)c1 ZINC000757155927 582539860 /nfs/dbraw/zinc/53/98/60/582539860.db2.gz FORKADWUXQAQAQ-JTQLQIEISA-N 1 0 225.763 3.437 10 0 BGAERO C[NH2+]C[C@H](C)CCc1ccc(Cl)c(C)c1 ZINC000757155929 582539640 /nfs/dbraw/zinc/53/96/40/582539640.db2.gz FORKADWUXQAQAQ-SNVBAGLBSA-N 1 0 225.763 3.437 10 0 BGAERO Cc1cc(CSCC2C[NH2+]C2)ccc1Cl ZINC000757155930 582539645 /nfs/dbraw/zinc/53/96/45/582539645.db2.gz FOTDDBQFTGHBTM-UHFFFAOYSA-N 1 0 241.787 3.101 10 0 BGAERO C[NH2+]CC(C)(C)Cc1ccc(Cl)c(C)c1 ZINC000757155964 582539864 /nfs/dbraw/zinc/53/98/64/582539864.db2.gz GFWFKAAPYOSMMW-UHFFFAOYSA-N 1 0 225.763 3.437 10 0 BGAERO Cc1cc(C[C@@H](F)C(C)(C)[NH3+])ccc1Cl ZINC000757155965 582539993 /nfs/dbraw/zinc/53/99/93/582539993.db2.gz GFXMWEFIEXFXAG-LLVKDONJSA-N 1 0 229.726 3.266 10 0 BGAERO Cc1cc(C[C@H](F)C(C)(C)[NH3+])ccc1Cl ZINC000757155970 582540047 /nfs/dbraw/zinc/54/00/47/582540047.db2.gz GFXMWEFIEXFXAG-NSHDSACASA-N 1 0 229.726 3.266 10 0 BGAERO Cc1cc(C[C@@]2([NH3+])CC2(C)C)ccc1Cl ZINC000757155983 586430205 /nfs/dbraw/zinc/43/02/05/586430205.db2.gz GOXGEWJXLAHMSX-CYBMUJFWSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@]2([NH3+])CC2(C)C)ccc1Cl ZINC000757155990 586429855 /nfs/dbraw/zinc/42/98/55/586429855.db2.gz GOXGEWJXLAHMSX-ZDUSSCGKSA-N 1 0 223.747 3.318 10 0 BGAERO C[NH2+]CCCCc1ccc(Cl)c(C)c1 ZINC000757156081 586430118 /nfs/dbraw/zinc/43/01/18/586430118.db2.gz HLQWHTXTUILNPD-UHFFFAOYSA-N 1 0 211.736 3.191 10 0 BGAERO CCC1(Cc2ccc(Cl)c(C)c2)C[NH2+]C1 ZINC000757156117 586429965 /nfs/dbraw/zinc/42/99/65/586429965.db2.gz HQJUHEBZXIMGMA-UHFFFAOYSA-N 1 0 223.747 3.191 10 0 BGAERO Cc1cc(CSCCC[NH3+])ccc1Cl ZINC000757156404 582540500 /nfs/dbraw/zinc/54/05/00/582540500.db2.gz IPWGOZTWPCBDEC-UHFFFAOYSA-N 1 0 229.776 3.230 10 0 BGAERO Cc1cc(CC[C@@H](C)C[NH3+])ccc1Cl ZINC000757156470 586430055 /nfs/dbraw/zinc/43/00/55/586430055.db2.gz ITROPCBOABCHIZ-SECBINFHSA-N 1 0 211.736 3.176 10 0 BGAERO Cc1cc(CC[C@H](C)C[NH3+])ccc1Cl ZINC000757156477 586429870 /nfs/dbraw/zinc/42/98/70/586429870.db2.gz ITROPCBOABCHIZ-VIFPVBQESA-N 1 0 211.736 3.176 10 0 BGAERO Cc1cc(CC2(F)CC([NH3+])C2)ccc1Cl ZINC000757156596 586430593 /nfs/dbraw/zinc/43/05/93/586430593.db2.gz JDFRNNGLVFEKQR-UHFFFAOYSA-N 1 0 227.710 3.020 10 0 BGAERO Cc1cc(CCC[NH2+]C2CC2)ccc1Cl ZINC000757156796 582540294 /nfs/dbraw/zinc/54/02/94/582540294.db2.gz KEGINJCCURJWNG-UHFFFAOYSA-N 1 0 223.747 3.333 10 0 BGAERO CNC(=[NH2+])SCc1ccc(Cl)c(C)c1 ZINC000757156802 582541063 /nfs/dbraw/zinc/54/10/63/582541063.db2.gz KGZWOGMZNYBOHA-UHFFFAOYSA-N 1 0 228.748 3.036 10 0 BGAERO Cc1cc(CS[C@H](C)C[NH3+])ccc1Cl ZINC000757156805 582541077 /nfs/dbraw/zinc/54/10/77/582541077.db2.gz KIXHWPOXAAPOLC-SECBINFHSA-N 1 0 229.776 3.229 10 0 BGAERO Cc1cc(CS[C@@H](C)C[NH3+])ccc1Cl ZINC000757156806 582540982 /nfs/dbraw/zinc/54/09/82/582540982.db2.gz KIXHWPOXAAPOLC-VIFPVBQESA-N 1 0 229.776 3.229 10 0 BGAERO Cc1cc(/C=C2\C[NH2+][C@@H](C)C2)ccc1Cl ZINC000757156813 586430403 /nfs/dbraw/zinc/43/04/03/586430403.db2.gz KMOUEPLVLPITNM-BZPKPHBRSA-N 1 0 221.731 3.414 10 0 BGAERO Cc1cc(/C=C2\C[NH2+][C@H](C)C2)ccc1Cl ZINC000757156814 586430782 /nfs/dbraw/zinc/43/07/82/586430782.db2.gz KMOUEPLVLPITNM-VPMLRQHESA-N 1 0 221.731 3.414 10 0 BGAERO C[NH2+]CCSCc1ccc(Cl)c(C)c1 ZINC000757156816 586430789 /nfs/dbraw/zinc/43/07/89/586430789.db2.gz KOXHHXBKONRORO-UHFFFAOYSA-N 1 0 229.776 3.101 10 0 BGAERO CC[C@](F)(C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757157440 586430372 /nfs/dbraw/zinc/43/03/72/586430372.db2.gz LBKFZILLUNGRML-GFCCVEGCSA-N 1 0 229.726 3.268 10 0 BGAERO CC[C@@](F)(C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757157442 586430377 /nfs/dbraw/zinc/43/03/77/586430377.db2.gz LBKFZILLUNGRML-LBPRGKRZSA-N 1 0 229.726 3.268 10 0 BGAERO Cc1cc(CC2(C[NH3+])CCC2)ccc1Cl ZINC000757157449 586430615 /nfs/dbraw/zinc/43/06/15/586430615.db2.gz LCUVOBBKBSZUBL-UHFFFAOYSA-N 1 0 223.747 3.320 10 0 BGAERO C[NH2+]C[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757157452 582541449 /nfs/dbraw/zinc/54/14/49/582541449.db2.gz LEWWAPYFZLGIMT-SECBINFHSA-N 1 0 211.736 3.046 10 0 BGAERO C[NH2+]C[C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757157455 582541101 /nfs/dbraw/zinc/54/11/01/582541101.db2.gz LEWWAPYFZLGIMT-VIFPVBQESA-N 1 0 211.736 3.046 10 0 BGAERO Cc1cc(C[C@H](C[NH3+])C(C)C)ccc1Cl ZINC000757157484 582540539 /nfs/dbraw/zinc/54/05/39/582540539.db2.gz LWEBCAHFKNGJPY-GFCCVEGCSA-N 1 0 225.763 3.422 10 0 BGAERO Cc1cc(C[C@@H](C[NH3+])C(C)C)ccc1Cl ZINC000757157491 582540557 /nfs/dbraw/zinc/54/05/57/582540557.db2.gz LWEBCAHFKNGJPY-LBPRGKRZSA-N 1 0 225.763 3.422 10 0 BGAERO C[NH2+][C@@H](CSC)Cc1ccc(Cl)c(C)c1 ZINC000757157959 582540266 /nfs/dbraw/zinc/54/02/66/582540266.db2.gz NBMYRCFDLMEEOM-LLVKDONJSA-N 1 0 243.803 3.142 10 0 BGAERO C[NH2+][C@H](CSC)Cc1ccc(Cl)c(C)c1 ZINC000757157974 582540576 /nfs/dbraw/zinc/54/05/76/582540576.db2.gz NBMYRCFDLMEEOM-NSHDSACASA-N 1 0 243.803 3.142 10 0 BGAERO Cc1cc(C[C@@H](C)[C@@H](C)[NH3+])ccc1Cl ZINC000757158130 582540570 /nfs/dbraw/zinc/54/05/70/582540570.db2.gz NGVUYSMKELYLHS-PSASIEDQSA-N 1 0 211.736 3.174 10 0 BGAERO Cc1cc(C[C@@H](C)[C@H](C)[NH3+])ccc1Cl ZINC000757158131 582540679 /nfs/dbraw/zinc/54/06/79/582540679.db2.gz NGVUYSMKELYLHS-SCZZXKLOSA-N 1 0 211.736 3.174 10 0 BGAERO Cc1cc(C[C@H](C)[C@@H](C)[NH3+])ccc1Cl ZINC000757158132 582540306 /nfs/dbraw/zinc/54/03/06/582540306.db2.gz NGVUYSMKELYLHS-WCBMZHEXSA-N 1 0 211.736 3.174 10 0 BGAERO Cc1cc(C[C@H](C)[C@H](C)[NH3+])ccc1Cl ZINC000757158144 582540250 /nfs/dbraw/zinc/54/02/50/582540250.db2.gz NGVUYSMKELYLHS-WPRPVWTQSA-N 1 0 211.736 3.174 10 0 BGAERO Cc1cc(C[C@@H](F)[C@H](C)C[NH3+])ccc1Cl ZINC000757158747 582540781 /nfs/dbraw/zinc/54/07/81/582540781.db2.gz OHJQHZFMAUNCBY-BXKDBHETSA-N 1 0 229.726 3.124 10 0 BGAERO Cc1cc(C[C@H](F)[C@@H](C)C[NH3+])ccc1Cl ZINC000757158799 582541144 /nfs/dbraw/zinc/54/11/44/582541144.db2.gz OHJQHZFMAUNCBY-CABZTGNLSA-N 1 0 229.726 3.124 10 0 BGAERO Cc1cc(C[C@@H](F)[C@@H](C)C[NH3+])ccc1Cl ZINC000757158814 582541365 /nfs/dbraw/zinc/54/13/65/582541365.db2.gz OHJQHZFMAUNCBY-JOYOIKCWSA-N 1 0 229.726 3.124 10 0 BGAERO Cc1cc(C[C@H](F)[C@H](C)C[NH3+])ccc1Cl ZINC000757158815 582541446 /nfs/dbraw/zinc/54/14/46/582541446.db2.gz OHJQHZFMAUNCBY-SKDRFNHKSA-N 1 0 229.726 3.124 10 0 BGAERO Cc1cc(CSC[C@@H](C)[NH3+])ccc1Cl ZINC000757159132 582541184 /nfs/dbraw/zinc/54/11/84/582541184.db2.gz ORUOUTIDKKHKOZ-SECBINFHSA-N 1 0 229.776 3.229 10 0 BGAERO Cc1cc(CSC[C@H](C)[NH3+])ccc1Cl ZINC000757159133 582541274 /nfs/dbraw/zinc/54/12/74/582541274.db2.gz ORUOUTIDKKHKOZ-VIFPVBQESA-N 1 0 229.776 3.229 10 0 BGAERO Cc1cc(CC2([NH3+])CC=CC2)ccc1Cl ZINC000757159459 582540364 /nfs/dbraw/zinc/54/03/64/582540364.db2.gz OTYWVDUJKZAEGK-UHFFFAOYSA-N 1 0 221.731 3.238 10 0 BGAERO CC[C@@H](C[NH2+]C)Cc1ccc(Cl)c(C)c1 ZINC000757159462 582540543 /nfs/dbraw/zinc/54/05/43/582540543.db2.gz OUDWCOCEOPYFCJ-LLVKDONJSA-N 1 0 225.763 3.437 10 0 BGAERO CC[C@H](C[NH2+]C)Cc1ccc(Cl)c(C)c1 ZINC000757159468 582540515 /nfs/dbraw/zinc/54/05/15/582540515.db2.gz OUDWCOCEOPYFCJ-NSHDSACASA-N 1 0 225.763 3.437 10 0 BGAERO CC[C@H](C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757159482 582542044 /nfs/dbraw/zinc/54/20/44/582542044.db2.gz OUJDBIKQCBORTC-JTQLQIEISA-N 1 0 211.736 3.176 10 0 BGAERO CC[C@@H](C[NH3+])Cc1ccc(Cl)c(C)c1 ZINC000757159485 582542058 /nfs/dbraw/zinc/54/20/58/582542058.db2.gz OUJDBIKQCBORTC-SNVBAGLBSA-N 1 0 211.736 3.176 10 0 BGAERO Cc1cc(CSC[C@H](C)C[NH3+])ccc1Cl ZINC000757159537 582541747 /nfs/dbraw/zinc/54/17/47/582541747.db2.gz PBYZHYABAKAYME-SECBINFHSA-N 1 0 243.803 3.476 10 0 BGAERO Cc1cc(CSC[C@@H](C)C[NH3+])ccc1Cl ZINC000757159541 582541746 /nfs/dbraw/zinc/54/17/46/582541746.db2.gz PBYZHYABAKAYME-VIFPVBQESA-N 1 0 243.803 3.476 10 0 BGAERO Cc1cc(C[C@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000757159594 582540904 /nfs/dbraw/zinc/54/09/04/582540904.db2.gz PNVZUGLCZHNTMP-NEPJUHHUSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000757159595 582541074 /nfs/dbraw/zinc/54/10/74/582541074.db2.gz PNVZUGLCZHNTMP-NWDGAFQWSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@@H]2CC[C@H]([NH3+])C2)ccc1Cl ZINC000757159596 582540928 /nfs/dbraw/zinc/54/09/28/582540928.db2.gz PNVZUGLCZHNTMP-RYUDHWBXSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@H]2CC[C@@H]([NH3+])C2)ccc1Cl ZINC000757159598 582541337 /nfs/dbraw/zinc/54/13/37/582541337.db2.gz PNVZUGLCZHNTMP-VXGBXAGGSA-N 1 0 223.747 3.318 10 0 BGAERO C[NH2+][C@H](Cc1ccc(Cl)c(C)c1)C(C)C ZINC000757159612 582541480 /nfs/dbraw/zinc/54/14/80/582541480.db2.gz PSMQJCQTCLRRDW-CYBMUJFWSA-N 1 0 225.763 3.435 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(Cl)c(C)c1)C(C)C ZINC000757159614 582541092 /nfs/dbraw/zinc/54/10/92/582541092.db2.gz PSMQJCQTCLRRDW-ZDUSSCGKSA-N 1 0 225.763 3.435 10 0 BGAERO Cc1cc(CC(C)(C)C[NH3+])ccc1Cl ZINC000757159712 582541378 /nfs/dbraw/zinc/54/13/78/582541378.db2.gz QAJZFBNYOBJPJW-UHFFFAOYSA-N 1 0 211.736 3.176 10 0 BGAERO Cc1cc(C[C@H]2CC[C@H]2C[NH3+])ccc1Cl ZINC000757160371 582544286 /nfs/dbraw/zinc/54/42/86/582544286.db2.gz QSDATCSDEVMYPI-NEPJUHHUSA-N 1 0 223.747 3.176 10 0 BGAERO Cc1cc(C[C@@H]2CC[C@@H]2C[NH3+])ccc1Cl ZINC000757160374 582544267 /nfs/dbraw/zinc/54/42/67/582544267.db2.gz QSDATCSDEVMYPI-NWDGAFQWSA-N 1 0 223.747 3.176 10 0 BGAERO Cc1cc(C[C@@H]2CC[C@H]2C[NH3+])ccc1Cl ZINC000757160379 582544315 /nfs/dbraw/zinc/54/43/15/582544315.db2.gz QSDATCSDEVMYPI-RYUDHWBXSA-N 1 0 223.747 3.176 10 0 BGAERO Cc1cc(C[C@H]2CC[C@@H]2C[NH3+])ccc1Cl ZINC000757160387 582544338 /nfs/dbraw/zinc/54/43/38/582544338.db2.gz QSDATCSDEVMYPI-VXGBXAGGSA-N 1 0 223.747 3.176 10 0 BGAERO CC[C@H]([NH3+])[C@H](F)Cc1ccc(Cl)c(C)c1 ZINC000757160415 582544323 /nfs/dbraw/zinc/54/43/23/582544323.db2.gz QTWYPAHQZYXJGQ-NEPJUHHUSA-N 1 0 229.726 3.266 10 0 BGAERO CC[C@@H]([NH3+])[C@@H](F)Cc1ccc(Cl)c(C)c1 ZINC000757160426 582544185 /nfs/dbraw/zinc/54/41/85/582544185.db2.gz QTWYPAHQZYXJGQ-NWDGAFQWSA-N 1 0 229.726 3.266 10 0 BGAERO CC[C@H]([NH3+])[C@@H](F)Cc1ccc(Cl)c(C)c1 ZINC000757160437 582544319 /nfs/dbraw/zinc/54/43/19/582544319.db2.gz QTWYPAHQZYXJGQ-RYUDHWBXSA-N 1 0 229.726 3.266 10 0 BGAERO CC[C@@H]([NH3+])[C@H](F)Cc1ccc(Cl)c(C)c1 ZINC000757160460 582544436 /nfs/dbraw/zinc/54/44/36/582544436.db2.gz QTWYPAHQZYXJGQ-VXGBXAGGSA-N 1 0 229.726 3.266 10 0 BGAERO C[NH2+]CC/C=C/Cc1ccc(Cl)c(C)c1 ZINC000757160561 582544016 /nfs/dbraw/zinc/54/40/16/582544016.db2.gz RHQQKWOBMYZZAK-ONEGZZNKSA-N 1 0 223.747 3.357 10 0 BGAERO Cc1cc(C[C@H]([NH3+])C(C)(F)F)ccc1Cl ZINC000757160593 586432197 /nfs/dbraw/zinc/43/21/97/586432197.db2.gz RQLFQCPIUCHYSL-JTQLQIEISA-N 1 0 233.689 3.173 10 0 BGAERO Cc1cc(C[C@@H]([NH3+])C(C)(F)F)ccc1Cl ZINC000757160598 586432185 /nfs/dbraw/zinc/43/21/85/586432185.db2.gz RQLFQCPIUCHYSL-SNVBAGLBSA-N 1 0 233.689 3.173 10 0 BGAERO Cc1cc(CC2=C[C@H]([NH3+])CC2)ccc1Cl ZINC000757160688 586432093 /nfs/dbraw/zinc/43/20/93/586432093.db2.gz SKMBPOWSGJPVQM-GFCCVEGCSA-N 1 0 221.731 3.238 10 0 BGAERO Cc1cc(CC2=C[C@@H]([NH3+])CC2)ccc1Cl ZINC000757160691 586432151 /nfs/dbraw/zinc/43/21/51/586432151.db2.gz SKMBPOWSGJPVQM-LBPRGKRZSA-N 1 0 221.731 3.238 10 0 BGAERO C[NH2+]CC1(Cc2ccc(Cl)c(C)c2)CC1 ZINC000757160694 586432063 /nfs/dbraw/zinc/43/20/63/586432063.db2.gz SLGARLPKQAFHTL-UHFFFAOYSA-N 1 0 223.747 3.191 10 0 BGAERO Cc1cc(/C=C2/CC[NH2+]C2)ccc1Cl ZINC000757160721 586432210 /nfs/dbraw/zinc/43/22/10/586432210.db2.gz SXLODJAAONWJNS-XFFZJAGNSA-N 1 0 207.704 3.025 10 0 BGAERO Cc1cc(C[C@@H]([NH3+])C2(C)CC2)ccc1Cl ZINC000757160826 586431982 /nfs/dbraw/zinc/43/19/82/586431982.db2.gz UDKAWMVPPDTRDI-GFCCVEGCSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@H]([NH3+])C2(C)CC2)ccc1Cl ZINC000757160828 586432244 /nfs/dbraw/zinc/43/22/44/586432244.db2.gz UDKAWMVPPDTRDI-LBPRGKRZSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@@H]([NH3+])C2CCC2)ccc1Cl ZINC000757160857 586432356 /nfs/dbraw/zinc/43/23/56/586432356.db2.gz UFIQKEFYQSSLNG-CYBMUJFWSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@H]([NH3+])C2CCC2)ccc1Cl ZINC000757160860 586432096 /nfs/dbraw/zinc/43/20/96/586432096.db2.gz UFIQKEFYQSSLNG-ZDUSSCGKSA-N 1 0 223.747 3.318 10 0 BGAERO CC[NH2+]C[C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757161267 586431146 /nfs/dbraw/zinc/43/11/46/586431146.db2.gz UIVTVKRDQPSKMA-JTQLQIEISA-N 1 0 225.763 3.437 10 0 BGAERO CC[NH2+]C[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757161271 586431057 /nfs/dbraw/zinc/43/10/57/586431057.db2.gz UIVTVKRDQPSKMA-SNVBAGLBSA-N 1 0 225.763 3.437 10 0 BGAERO C/C(=C/c1ccc(Cl)c(C)c1)C1C[NH2+]C1 ZINC000757161330 586432287 /nfs/dbraw/zinc/43/22/87/586432287.db2.gz VEVOIWNLBNODEH-UITAMQMPSA-N 1 0 221.731 3.271 10 0 BGAERO Cc1cc(C[C@H]([NH3+])[C@@H]2C[C@H]2C)ccc1Cl ZINC000757161423 586431359 /nfs/dbraw/zinc/43/13/59/586431359.db2.gz VLHZFKUVUPRNBR-DYLAAIIWSA-N 1 0 223.747 3.174 10 0 BGAERO Cc1cc(C[C@H]([NH3+])[C@@H]2C[C@@H]2C)ccc1Cl ZINC000757161425 586431140 /nfs/dbraw/zinc/43/11/40/586431140.db2.gz VLHZFKUVUPRNBR-KDDOJWQBSA-N 1 0 223.747 3.174 10 0 BGAERO Cc1cc(C[C@H]([NH3+])[C@H]2C[C@@H]2C)ccc1Cl ZINC000757161433 586431528 /nfs/dbraw/zinc/43/15/28/586431528.db2.gz VLHZFKUVUPRNBR-QWRKXWFKSA-N 1 0 223.747 3.174 10 0 BGAERO Cc1cc(C[C@H]([NH3+])[C@H]2C[C@H]2C)ccc1Cl ZINC000757161440 586431904 /nfs/dbraw/zinc/43/19/04/586431904.db2.gz VLHZFKUVUPRNBR-WLTAIBSBSA-N 1 0 223.747 3.174 10 0 BGAERO Cc1cc(C[C@H]([NH3+])CC2CC2)ccc1Cl ZINC000757161558 586432367 /nfs/dbraw/zinc/43/23/67/586432367.db2.gz WPKSTZVCHPSXKF-GFCCVEGCSA-N 1 0 223.747 3.318 10 0 BGAERO Cc1cc(C[C@@H]([NH3+])CC2CC2)ccc1Cl ZINC000757161561 586432349 /nfs/dbraw/zinc/43/23/49/586432349.db2.gz WPKSTZVCHPSXKF-LBPRGKRZSA-N 1 0 223.747 3.318 10 0 BGAERO C[NH2+][C@H](Cc1ccc(Cl)c(C)c1)C1CC1 ZINC000757161656 586432450 /nfs/dbraw/zinc/43/24/50/586432450.db2.gz XNXUGBCDNMBVIE-CYBMUJFWSA-N 1 0 223.747 3.189 10 0 BGAERO C[NH2+][C@@H](Cc1ccc(Cl)c(C)c1)C1CC1 ZINC000757161657 586432627 /nfs/dbraw/zinc/43/26/27/586432627.db2.gz XNXUGBCDNMBVIE-ZDUSSCGKSA-N 1 0 223.747 3.189 10 0 BGAERO CCNC(=[NH2+])SCc1ccc(Cl)c(C)c1 ZINC000757161688 586431958 /nfs/dbraw/zinc/43/19/58/586431958.db2.gz XUACKUPDMGEWJP-UHFFFAOYSA-N 1 0 242.775 3.426 10 0 BGAERO Cc1cc(C[C@@](C)(F)[C@@H](C)[NH3+])ccc1Cl ZINC000757161829 586431326 /nfs/dbraw/zinc/43/13/26/586431326.db2.gz XXESGLFRAANCFL-BXKDBHETSA-N 1 0 229.726 3.266 10 0 BGAERO Cc1cc(C[C@](C)(F)[C@H](C)[NH3+])ccc1Cl ZINC000757161833 586430930 /nfs/dbraw/zinc/43/09/30/586430930.db2.gz XXESGLFRAANCFL-CABZTGNLSA-N 1 0 229.726 3.266 10 0 BGAERO Cc1cc(C[C@@](C)(F)[C@H](C)[NH3+])ccc1Cl ZINC000757161836 586431131 /nfs/dbraw/zinc/43/11/31/586431131.db2.gz XXESGLFRAANCFL-JOYOIKCWSA-N 1 0 229.726 3.266 10 0 BGAERO Cc1cc(C[C@](C)(F)[C@@H](C)[NH3+])ccc1Cl ZINC000757161840 586431349 /nfs/dbraw/zinc/43/13/49/586431349.db2.gz XXESGLFRAANCFL-SKDRFNHKSA-N 1 0 229.726 3.266 10 0 BGAERO CC[NH2+]CCCc1ccc(Cl)c(C)c1 ZINC000757161863 582544225 /nfs/dbraw/zinc/54/42/25/582544225.db2.gz YCIPYDZAMIPFPI-UHFFFAOYSA-N 1 0 211.736 3.191 10 0 BGAERO C[NH2+]CC[C@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757161865 582544434 /nfs/dbraw/zinc/54/44/34/582544434.db2.gz YDTGGOMBNBPRPC-JTQLQIEISA-N 1 0 225.763 3.437 10 0 BGAERO C[NH2+]CC[C@@H](C)Cc1ccc(Cl)c(C)c1 ZINC000757161867 582544269 /nfs/dbraw/zinc/54/42/69/582544269.db2.gz YDTGGOMBNBPRPC-SNVBAGLBSA-N 1 0 225.763 3.437 10 0 BGAERO Cc1cc(C/C=C/CC[NH3+])ccc1Cl ZINC000757161874 582544401 /nfs/dbraw/zinc/54/44/01/582544401.db2.gz YHYCOJMSFHSCIN-NSCUHMNNSA-N 1 0 209.720 3.096 10 0 BGAERO Cc1cc(C[C@H](C)[C@H](C)C[NH3+])ccc1Cl ZINC000757161935 582545567 /nfs/dbraw/zinc/54/55/67/582545567.db2.gz YXVNKONTCIOCKH-GXSJLCMTSA-N 1 0 225.763 3.422 10 0 BGAERO Cc1cc(C[C@@H](C)[C@@H](C)C[NH3+])ccc1Cl ZINC000757161946 582545331 /nfs/dbraw/zinc/54/53/31/582545331.db2.gz YXVNKONTCIOCKH-KOLCDFICSA-N 1 0 225.763 3.422 10 0 BGAERO Cc1cc(C[C@@H](C)[C@H](C)C[NH3+])ccc1Cl ZINC000757161953 582545283 /nfs/dbraw/zinc/54/52/83/582545283.db2.gz YXVNKONTCIOCKH-MWLCHTKSSA-N 1 0 225.763 3.422 10 0 BGAERO Cc1cc(C[C@H](C)[C@@H](C)C[NH3+])ccc1Cl ZINC000757161964 582545380 /nfs/dbraw/zinc/54/53/80/582545380.db2.gz YXVNKONTCIOCKH-ONGXEEELSA-N 1 0 225.763 3.422 10 0 BGAERO C/C(=C\c1ccc(Cl)c(C)c1)[C@H](C)[NH3+] ZINC000757162003 586432553 /nfs/dbraw/zinc/43/25/53/586432553.db2.gz ZHFYLQMRMZASLU-PCGIRMHASA-N 1 0 209.720 3.399 10 0 BGAERO C/C(=C\c1ccc(Cl)c(C)c1)[C@@H](C)[NH3+] ZINC000757162004 586432812 /nfs/dbraw/zinc/43/28/12/586432812.db2.gz ZHFYLQMRMZASLU-QEHWCHDUSA-N 1 0 209.720 3.399 10 0 BGAERO CC[C@H](SCc1ccc(Cl)o1)[C@@H](C)[NH3+] ZINC000757162468 586432318 /nfs/dbraw/zinc/43/23/18/586432318.db2.gz DVVQMTHOXGMZNP-APPZFPTMSA-N 1 0 233.764 3.292 10 0 BGAERO CC[C@H](SCc1ccc(Cl)o1)[C@H](C)[NH3+] ZINC000757162473 582545680 /nfs/dbraw/zinc/54/56/80/582545680.db2.gz DVVQMTHOXGMZNP-CBAPKCEASA-N 1 0 233.764 3.292 10 0 BGAERO CC[C@@H](SCc1ccc(Cl)o1)[C@H](C)[NH3+] ZINC000757162474 582545603 /nfs/dbraw/zinc/54/56/03/582545603.db2.gz DVVQMTHOXGMZNP-IONNQARKSA-N 1 0 233.764 3.292 10 0 BGAERO CC[C@@H](SCc1ccc(Cl)o1)[C@@H](C)[NH3+] ZINC000757162475 582545315 /nfs/dbraw/zinc/54/53/15/582545315.db2.gz DVVQMTHOXGMZNP-VXNVDRBHSA-N 1 0 233.764 3.292 10 0 BGAERO Cc1ccoc1CSCC[NH2+]CC(C)C ZINC000757162630 582545271 /nfs/dbraw/zinc/54/52/71/582545271.db2.gz ANBVTPYXLVQHTP-UHFFFAOYSA-N 1 0 227.373 3.067 10 0 BGAERO Cc1ccoc1CSCCC[NH2+]C(C)C ZINC000757162758 582545276 /nfs/dbraw/zinc/54/52/76/582545276.db2.gz AUJQFOKKRDWVDR-UHFFFAOYSA-N 1 0 227.373 3.209 10 0 BGAERO CCC[NH2+]C[C@@H](C)SCc1occc1C ZINC000757163051 582545504 /nfs/dbraw/zinc/54/55/04/582545504.db2.gz CBDNPFSTFQPEDY-LLVKDONJSA-N 1 0 227.373 3.209 10 0 BGAERO CCC[NH2+]C[C@H](C)SCc1occc1C ZINC000757163053 582545546 /nfs/dbraw/zinc/54/55/46/582545546.db2.gz CBDNPFSTFQPEDY-NSHDSACASA-N 1 0 227.373 3.209 10 0 BGAERO Cc1ccoc1CSCCC(C)(C)C[NH3+] ZINC000757163909 582544867 /nfs/dbraw/zinc/54/48/67/582544867.db2.gz FKZZOTUVCLGCHZ-UHFFFAOYSA-N 1 0 227.373 3.196 10 0 BGAERO Cc1ccoc1CSC1CCC([NH3+])CC1 ZINC000757164003 582545786 /nfs/dbraw/zinc/54/57/86/582545786.db2.gz GIHJNGGFANBHQQ-UHFFFAOYSA-N 1 0 225.357 3.091 10 0 BGAERO CC[C@@H]([NH3+])CCCSCc1occc1C ZINC000757164047 582546195 /nfs/dbraw/zinc/54/61/95/582546195.db2.gz GRCKXEYIDCHMNF-LLVKDONJSA-N 1 0 227.373 3.339 10 0 BGAERO CC[C@H]([NH3+])CCCSCc1occc1C ZINC000757164050 582545776 /nfs/dbraw/zinc/54/57/76/582545776.db2.gz GRCKXEYIDCHMNF-NSHDSACASA-N 1 0 227.373 3.339 10 0 BGAERO CC[NH2+]CCCCSCc1occc1C ZINC000757164400 582545773 /nfs/dbraw/zinc/54/57/73/582545773.db2.gz GTVOGMDHWUUMQW-UHFFFAOYSA-N 1 0 227.373 3.211 10 0 BGAERO Clc1ccc(CSCCC[NH2+]C2CC2)o1 ZINC000757164636 582546199 /nfs/dbraw/zinc/54/61/99/582546199.db2.gz HSHFPRAALZHUOG-UHFFFAOYSA-N 1 0 245.775 3.308 10 0 BGAERO CC[C@@H](C)[NH2+]CCSCc1occc1C ZINC000757164660 582546211 /nfs/dbraw/zinc/54/62/11/582546211.db2.gz HXHSTDVYEVJZJC-LLVKDONJSA-N 1 0 227.373 3.209 10 0 BGAERO CC[C@H](C)[NH2+]CCSCc1occc1C ZINC000757164661 582545933 /nfs/dbraw/zinc/54/59/33/582545933.db2.gz HXHSTDVYEVJZJC-NSHDSACASA-N 1 0 227.373 3.209 10 0 BGAERO Cc1ccoc1CSCC[NH2+]C(C)(C)C ZINC000757164779 582546637 /nfs/dbraw/zinc/54/66/37/582546637.db2.gz ISMBHVDDBATSMQ-UHFFFAOYSA-N 1 0 227.373 3.209 10 0 BGAERO CCc1ccc(CSCC(C)(C)C[NH3+])o1 ZINC000757164811 582546619 /nfs/dbraw/zinc/54/66/19/582546619.db2.gz ITJGADRXMGHSLF-UHFFFAOYSA-N 1 0 227.373 3.060 10 0 BGAERO Cc1ccoc1CS[C@H](C)C[NH2+]C(C)C ZINC000757164874 582546505 /nfs/dbraw/zinc/54/65/05/582546505.db2.gz JGPXYDQRQKQYOK-LLVKDONJSA-N 1 0 227.373 3.208 10 0 BGAERO Cc1ccoc1CS[C@@H](C)C[NH2+]C(C)C ZINC000757164890 582546476 /nfs/dbraw/zinc/54/64/76/582546476.db2.gz JGPXYDQRQKQYOK-NSHDSACASA-N 1 0 227.373 3.208 10 0 BGAERO CC[C@@H](SCc1occc1C)[C@H](C)[NH2+]C ZINC000757165327 582547100 /nfs/dbraw/zinc/54/71/00/582547100.db2.gz ILYZBNVNRJHRAV-CMPLNLGQSA-N 1 0 227.373 3.208 10 0 BGAERO CC[C@H](SCc1occc1C)[C@H](C)[NH2+]C ZINC000757165328 582547102 /nfs/dbraw/zinc/54/71/02/582547102.db2.gz ILYZBNVNRJHRAV-JQWIXIFHSA-N 1 0 227.373 3.208 10 0 BGAERO CC[C@H](SCc1occc1C)[C@@H](C)[NH2+]C ZINC000757165329 582547108 /nfs/dbraw/zinc/54/71/08/582547108.db2.gz ILYZBNVNRJHRAV-PWSUYJOCSA-N 1 0 227.373 3.208 10 0 BGAERO CC[C@@H](SCc1occc1C)[C@@H](C)[NH2+]C ZINC000757165330 582547121 /nfs/dbraw/zinc/54/71/21/582547121.db2.gz ILYZBNVNRJHRAV-ZYHUDNBSSA-N 1 0 227.373 3.208 10 0 BGAERO Cc1ccoc1CS[C@H](C[NH3+])C(C)(C)C ZINC000757165588 582546951 /nfs/dbraw/zinc/54/69/51/582546951.db2.gz JKAAFVNJUQXFPT-LLVKDONJSA-N 1 0 227.373 3.195 10 0 BGAERO Cc1ccoc1CS[C@@H](C[NH3+])C(C)(C)C ZINC000757165589 582547147 /nfs/dbraw/zinc/54/71/47/582547147.db2.gz JKAAFVNJUQXFPT-NSHDSACASA-N 1 0 227.373 3.195 10 0 BGAERO CC[NH2+][C@H](CC)CSCc1occc1C ZINC000757165606 582547244 /nfs/dbraw/zinc/54/72/44/582547244.db2.gz MRFVBNWCITVLMS-LLVKDONJSA-N 1 0 227.373 3.209 10 0 BGAERO CC[NH2+][C@@H](CC)CSCc1occc1C ZINC000757165608 582547137 /nfs/dbraw/zinc/54/71/37/582547137.db2.gz MRFVBNWCITVLMS-NSHDSACASA-N 1 0 227.373 3.209 10 0 BGAERO CC[C@H](C)[C@H]([NH3+])CSCc1occc1C ZINC000757165695 582546988 /nfs/dbraw/zinc/54/69/88/582546988.db2.gz NHIOKVITRDQMBD-GXSJLCMTSA-N 1 0 227.373 3.195 10 0 BGAERO CC[C@@H](C)[C@@H]([NH3+])CSCc1occc1C ZINC000757165700 582546891 /nfs/dbraw/zinc/54/68/91/582546891.db2.gz NHIOKVITRDQMBD-KOLCDFICSA-N 1 0 227.373 3.195 10 0 BGAERO CC[C@@H](C)[C@H]([NH3+])CSCc1occc1C ZINC000757165702 582547177 /nfs/dbraw/zinc/54/71/77/582547177.db2.gz NHIOKVITRDQMBD-MWLCHTKSSA-N 1 0 227.373 3.195 10 0 BGAERO CC[C@H](C)[C@@H]([NH3+])CSCc1occc1C ZINC000757165704 582546895 /nfs/dbraw/zinc/54/68/95/582546895.db2.gz NHIOKVITRDQMBD-ONGXEEELSA-N 1 0 227.373 3.195 10 0 BGAERO CC[C@@H]([NH2+]C)[C@@H](C)SCc1occc1C ZINC000757165745 582547113 /nfs/dbraw/zinc/54/71/13/582547113.db2.gz NVLBUHJKTUVVJP-GHMZBOCLSA-N 1 0 227.373 3.208 10 0 BGAERO CC[C@H]([NH2+]C)[C@@H](C)SCc1occc1C ZINC000757165962 582548046 /nfs/dbraw/zinc/54/80/46/582548046.db2.gz NVLBUHJKTUVVJP-MNOVXSKESA-N 1 0 227.373 3.208 10 0 BGAERO CC[C@H]([NH2+]C)[C@H](C)SCc1occc1C ZINC000757165964 582547865 /nfs/dbraw/zinc/54/78/65/582547865.db2.gz NVLBUHJKTUVVJP-QWRGUYRKSA-N 1 0 227.373 3.208 10 0 BGAERO CC[C@@H]([NH2+]C)[C@H](C)SCc1occc1C ZINC000757165967 582548038 /nfs/dbraw/zinc/54/80/38/582548038.db2.gz NVLBUHJKTUVVJP-WDEREUQCSA-N 1 0 227.373 3.208 10 0 BGAERO C[NH2+][C@H](CSCc1occc1C)C(C)C ZINC000757165986 582548080 /nfs/dbraw/zinc/54/80/80/582548080.db2.gz NXEICUZPAGYNQP-LLVKDONJSA-N 1 0 227.373 3.065 10 0 BGAERO C[NH2+][C@@H](CSCc1occc1C)C(C)C ZINC000757165994 582548011 /nfs/dbraw/zinc/54/80/11/582548011.db2.gz NXEICUZPAGYNQP-NSHDSACASA-N 1 0 227.373 3.065 10 0 BGAERO CC[NH2+][C@H](C)[C@@H](C)SCc1occc1C ZINC000757165998 582548097 /nfs/dbraw/zinc/54/80/97/582548097.db2.gz NXHMUMQSMHWXRW-GHMZBOCLSA-N 1 0 227.373 3.208 10 0 BGAERO CC[NH2+][C@H](C)[C@H](C)SCc1occc1C ZINC000757166007 582548048 /nfs/dbraw/zinc/54/80/48/582548048.db2.gz NXHMUMQSMHWXRW-MNOVXSKESA-N 1 0 227.373 3.208 10 0 BGAERO CC[NH2+][C@@H](C)[C@H](C)SCc1occc1C ZINC000757166012 582548272 /nfs/dbraw/zinc/54/82/72/582548272.db2.gz NXHMUMQSMHWXRW-QWRGUYRKSA-N 1 0 227.373 3.208 10 0 BGAERO CC[NH2+][C@@H](C)[C@@H](C)SCc1occc1C ZINC000757166016 582548063 /nfs/dbraw/zinc/54/80/63/582548063.db2.gz NXHMUMQSMHWXRW-WDEREUQCSA-N 1 0 227.373 3.208 10 0 BGAERO CC[NH2+][C@H](C)CCSCc1occc1C ZINC000757166143 582548254 /nfs/dbraw/zinc/54/82/54/582548254.db2.gz OVCUCLOXGRMSKJ-LLVKDONJSA-N 1 0 227.373 3.209 10 0 BGAERO CC[NH2+][C@@H](C)CCSCc1occc1C ZINC000757166144 582548848 /nfs/dbraw/zinc/54/88/48/582548848.db2.gz OVCUCLOXGRMSKJ-NSHDSACASA-N 1 0 227.373 3.209 10 0 BGAERO C[NH2+][C@H](C)C[C@@H](C)SCc1occc1C ZINC000757166165 582548826 /nfs/dbraw/zinc/54/88/26/582548826.db2.gz PHBXLTJNHHRVEH-GHMZBOCLSA-N 1 0 227.373 3.208 10 0 BGAERO C[NH2+][C@H](C)C[C@H](C)SCc1occc1C ZINC000757166166 582548718 /nfs/dbraw/zinc/54/87/18/582548718.db2.gz PHBXLTJNHHRVEH-MNOVXSKESA-N 1 0 227.373 3.208 10 0 BGAERO C[NH2+][C@@H](C)C[C@H](C)SCc1occc1C ZINC000757166167 582548951 /nfs/dbraw/zinc/54/89/51/582548951.db2.gz PHBXLTJNHHRVEH-QWRGUYRKSA-N 1 0 227.373 3.208 10 0 BGAERO C[NH2+][C@@H](C)C[C@@H](C)SCc1occc1C ZINC000757166169 582548701 /nfs/dbraw/zinc/54/87/01/582548701.db2.gz PHBXLTJNHHRVEH-WDEREUQCSA-N 1 0 227.373 3.208 10 0 BGAERO Cc1ccoc1CS[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000757166205 582547058 /nfs/dbraw/zinc/54/70/58/582547058.db2.gz PKVJCMKPSIQDJT-GHMZBOCLSA-N 1 0 225.357 3.091 10 0 BGAERO Cc1ccoc1CS[C@H]1CCC[C@@H]([NH3+])C1 ZINC000757166210 582547566 /nfs/dbraw/zinc/54/75/66/582547566.db2.gz PKVJCMKPSIQDJT-MNOVXSKESA-N 1 0 225.357 3.091 10 0 BGAERO Cc1ccoc1CS[C@H]1CCC[C@H]([NH3+])C1 ZINC000757166215 582547540 /nfs/dbraw/zinc/54/75/40/582547540.db2.gz PKVJCMKPSIQDJT-QWRGUYRKSA-N 1 0 225.357 3.091 10 0 BGAERO Cc1ccoc1CS[C@@H]1CCC[C@H]([NH3+])C1 ZINC000757166217 582547588 /nfs/dbraw/zinc/54/75/88/582547588.db2.gz PKVJCMKPSIQDJT-WDEREUQCSA-N 1 0 225.357 3.091 10 0 BGAERO CCC[NH2+][C@H](C)CSCc1occc1C ZINC000757166262 582547443 /nfs/dbraw/zinc/54/74/43/582547443.db2.gz PTKSDJASFYKSGU-LLVKDONJSA-N 1 0 227.373 3.209 10 0 BGAERO CCC[NH2+][C@@H](C)CSCc1occc1C ZINC000757166265 582547769 /nfs/dbraw/zinc/54/77/69/582547769.db2.gz PTKSDJASFYKSGU-NSHDSACASA-N 1 0 227.373 3.209 10 0 BGAERO Nc1cc[nH+]cc1SCc1ccc(Cl)o1 ZINC000757166266 582547731 /nfs/dbraw/zinc/54/77/31/582547731.db2.gz RMPODQFPJGDRKE-UHFFFAOYSA-N 1 0 240.715 3.033 10 0 BGAERO Cc1ccoc1CSC[C@@H]([NH3+])C(C)(C)C ZINC000757166492 582547596 /nfs/dbraw/zinc/54/75/96/582547596.db2.gz QMJDINVUOOHKGY-LLVKDONJSA-N 1 0 227.373 3.195 10 0 BGAERO Cc1ccoc1CSC[C@H]([NH3+])C(C)(C)C ZINC000757166493 582547787 /nfs/dbraw/zinc/54/77/87/582547787.db2.gz QMJDINVUOOHKGY-NSHDSACASA-N 1 0 227.373 3.195 10 0 BGAERO CCc1ccc(CS[C@@H](C)CCC[NH3+])o1 ZINC000757166508 582547818 /nfs/dbraw/zinc/54/78/18/582547818.db2.gz QMOYQMLDJLZUFN-JTQLQIEISA-N 1 0 227.373 3.203 10 0 BGAERO CCc1ccc(CS[C@H](C)CCC[NH3+])o1 ZINC000757166510 582547776 /nfs/dbraw/zinc/54/77/76/582547776.db2.gz QMOYQMLDJLZUFN-SNVBAGLBSA-N 1 0 227.373 3.203 10 0 BGAERO C[NH2+][C@H](C)CCCSCc1occc1C ZINC000757166516 582547398 /nfs/dbraw/zinc/54/73/98/582547398.db2.gz QQZDDYWEHHAKBO-LLVKDONJSA-N 1 0 227.373 3.209 10 0 BGAERO C[NH2+][C@@H](C)CCCSCc1occc1C ZINC000757166528 582547724 /nfs/dbraw/zinc/54/77/24/582547724.db2.gz QQZDDYWEHHAKBO-NSHDSACASA-N 1 0 227.373 3.209 10 0 BGAERO Cc1ccoc1CS[C@@H]1CCCC[C@@H]1[NH3+] ZINC000757166650 586432619 /nfs/dbraw/zinc/43/26/19/586432619.db2.gz RBCOJHCWIFLYNB-CMPLNLGQSA-N 1 0 225.357 3.091 10 0 BGAERO Cc1ccoc1CS[C@H]1CCCC[C@@H]1[NH3+] ZINC000757166653 586432759 /nfs/dbraw/zinc/43/27/59/586432759.db2.gz RBCOJHCWIFLYNB-JQWIXIFHSA-N 1 0 225.357 3.091 10 0 BGAERO Cc1ccoc1CS[C@H]1CCCC[C@H]1[NH3+] ZINC000757166657 586432740 /nfs/dbraw/zinc/43/27/40/586432740.db2.gz RBCOJHCWIFLYNB-PWSUYJOCSA-N 1 0 225.357 3.091 10 0 BGAERO Cc1ccoc1CS[C@@H]1CCCC[C@H]1[NH3+] ZINC000757166660 586432505 /nfs/dbraw/zinc/43/25/05/586432505.db2.gz RBCOJHCWIFLYNB-ZYHUDNBSSA-N 1 0 225.357 3.091 10 0 BGAERO CCC[NH2+]CCCSCc1occc1C ZINC000757166696 586432510 /nfs/dbraw/zinc/43/25/10/586432510.db2.gz RMGIEZKCORRGQW-UHFFFAOYSA-N 1 0 227.373 3.211 10 0 BGAERO Cc1ccoc1CSCCCC[C@@H](C)[NH3+] ZINC000757166785 586432490 /nfs/dbraw/zinc/43/24/90/586432490.db2.gz SANDOKLEQPQFTD-LLVKDONJSA-N 1 0 227.373 3.339 10 0 BGAERO Cc1ccoc1CSCCCC[C@H](C)[NH3+] ZINC000757166792 586432714 /nfs/dbraw/zinc/43/27/14/586432714.db2.gz SANDOKLEQPQFTD-NSHDSACASA-N 1 0 227.373 3.339 10 0 BGAERO Cc1ccoc1CSCCCCCC[NH3+] ZINC000757166849 582548193 /nfs/dbraw/zinc/54/81/93/582548193.db2.gz SKNWEVALSBHPRC-UHFFFAOYSA-N 1 0 227.373 3.340 10 0 BGAERO CC[NH2+]CCCSCc1ccc(Cl)o1 ZINC000757166910 582548938 /nfs/dbraw/zinc/54/89/38/582548938.db2.gz XKSGZDIBYMGJHV-UHFFFAOYSA-N 1 0 233.764 3.166 10 0 BGAERO C[NH2+][C@@H](CSCc1ccc(Cl)o1)C1CC1 ZINC000757166922 582547664 /nfs/dbraw/zinc/54/76/64/582547664.db2.gz XVTWAONIEKYSAX-JTQLQIEISA-N 1 0 245.775 3.164 10 0 BGAERO C[NH2+][C@H](CSCc1ccc(Cl)o1)C1CC1 ZINC000757166924 582547802 /nfs/dbraw/zinc/54/78/02/582547802.db2.gz XVTWAONIEKYSAX-SNVBAGLBSA-N 1 0 245.775 3.164 10 0 BGAERO CCC[C@H](CSCc1occc1C)[NH2+]C ZINC000757167384 582549294 /nfs/dbraw/zinc/54/92/94/582549294.db2.gz WKVKNTAYVYRSFR-LLVKDONJSA-N 1 0 227.373 3.209 10 0 BGAERO CCC[C@@H](CSCc1occc1C)[NH2+]C ZINC000757167386 582549389 /nfs/dbraw/zinc/54/93/89/582549389.db2.gz WKVKNTAYVYRSFR-NSHDSACASA-N 1 0 227.373 3.209 10 0 BGAERO Cc1ccoc1CSC[C@@H](C[NH3+])C(C)C ZINC000757167764 582548747 /nfs/dbraw/zinc/54/87/47/582548747.db2.gz XTFSCLBEIIMNLW-LLVKDONJSA-N 1 0 227.373 3.052 10 0 BGAERO Cc1ccoc1CSC[C@H](C[NH3+])C(C)C ZINC000757167765 582548613 /nfs/dbraw/zinc/54/86/13/582548613.db2.gz XTFSCLBEIIMNLW-NSHDSACASA-N 1 0 227.373 3.052 10 0 BGAERO Cc1ccoc1CSC[C@H]([NH3+])CC(C)C ZINC000757167772 582548785 /nfs/dbraw/zinc/54/87/85/582548785.db2.gz XUCYYKMLVHMAIY-LLVKDONJSA-N 1 0 227.373 3.195 10 0 BGAERO Cc1ccoc1CSC[C@@H]([NH3+])CC(C)C ZINC000757167776 582548683 /nfs/dbraw/zinc/54/86/83/582548683.db2.gz XUCYYKMLVHMAIY-NSHDSACASA-N 1 0 227.373 3.195 10 0 BGAERO CCc1ccc(CS[C@H](CC)[C@@H](C)[NH3+])o1 ZINC000757167859 582548640 /nfs/dbraw/zinc/54/86/40/582548640.db2.gz YFBVCOFAAIIOIS-BXKDBHETSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@@H](CC)[C@H](C)[NH3+])o1 ZINC000757167860 582548670 /nfs/dbraw/zinc/54/86/70/582548670.db2.gz YFBVCOFAAIIOIS-CABZTGNLSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@H](CC)[C@H](C)[NH3+])o1 ZINC000757167861 582548993 /nfs/dbraw/zinc/54/89/93/582548993.db2.gz YFBVCOFAAIIOIS-JOYOIKCWSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@@H](CC)[C@@H](C)[NH3+])o1 ZINC000757167862 582548883 /nfs/dbraw/zinc/54/88/83/582548883.db2.gz YFBVCOFAAIIOIS-SKDRFNHKSA-N 1 0 227.373 3.201 10 0 BGAERO CCCC[NH2+]CCSCc1occc1C ZINC000757167894 582548879 /nfs/dbraw/zinc/54/88/79/582548879.db2.gz ZJRZLVDBRGDVFH-UHFFFAOYSA-N 1 0 227.373 3.211 10 0 BGAERO CC[NH2+]C[C@H](C)CSCc1occc1C ZINC000757167962 582549576 /nfs/dbraw/zinc/54/95/76/582549576.db2.gz ZUZGQFIUEZKJEN-JTQLQIEISA-N 1 0 227.373 3.067 10 0 BGAERO CC[NH2+]C[C@@H](C)CSCc1occc1C ZINC000757167969 582549376 /nfs/dbraw/zinc/54/93/76/582549376.db2.gz ZUZGQFIUEZKJEN-SNVBAGLBSA-N 1 0 227.373 3.067 10 0 BGAERO CCC[NH2+]CCSCc1ccc(Cl)o1 ZINC000757168500 582549526 /nfs/dbraw/zinc/54/95/26/582549526.db2.gz AFXYXNXNNXPGLA-UHFFFAOYSA-N 1 0 233.764 3.166 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757168511 582549170 /nfs/dbraw/zinc/54/91/70/582549170.db2.gz AMJLPWNFRDUTHE-BDAKNGLRSA-N 1 0 231.748 3.046 10 0 BGAERO [NH3+][C@H]1CCC[C@H]1SCc1ccc(Cl)o1 ZINC000757168514 586432548 /nfs/dbraw/zinc/43/25/48/586432548.db2.gz AMJLPWNFRDUTHE-DTWKUNHWSA-N 1 0 231.748 3.046 10 0 BGAERO [NH3+][C@H]1CCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757168520 586432798 /nfs/dbraw/zinc/43/27/98/586432798.db2.gz AMJLPWNFRDUTHE-IUCAKERBSA-N 1 0 231.748 3.046 10 0 BGAERO [NH3+][C@@H]1CCC[C@H]1SCc1ccc(Cl)o1 ZINC000757168521 586432606 /nfs/dbraw/zinc/43/26/06/586432606.db2.gz AMJLPWNFRDUTHE-RKDXNWHRSA-N 1 0 231.748 3.046 10 0 BGAERO CC(C)C[NH2+]CCSCc1ccc(Cl)o1 ZINC000757168522 586432420 /nfs/dbraw/zinc/43/24/20/586432420.db2.gz ANZSPTOEMGCQHK-UHFFFAOYSA-N 1 0 247.791 3.412 10 0 BGAERO [NH3+]C[C@H](CSCc1ccc(Cl)o1)C1CC1 ZINC000757168531 586432426 /nfs/dbraw/zinc/43/24/26/586432426.db2.gz AULSIMOVZPTBHM-SECBINFHSA-N 1 0 245.775 3.151 10 0 BGAERO [NH3+]C[C@@H](CSCc1ccc(Cl)o1)C1CC1 ZINC000757168532 586432663 /nfs/dbraw/zinc/43/26/63/586432663.db2.gz AULSIMOVZPTBHM-VIFPVBQESA-N 1 0 245.775 3.151 10 0 BGAERO CC[NH2+]C[C@@H](C)CSCc1ccc(Cl)o1 ZINC000757168538 582549219 /nfs/dbraw/zinc/54/92/19/582549219.db2.gz BJWOUAQEGVFKGA-SECBINFHSA-N 1 0 247.791 3.412 10 0 BGAERO CC[NH2+]C[C@H](C)CSCc1ccc(Cl)o1 ZINC000757168539 582549282 /nfs/dbraw/zinc/54/92/82/582549282.db2.gz BJWOUAQEGVFKGA-VIFPVBQESA-N 1 0 247.791 3.412 10 0 BGAERO Clc1ccc(CSCC[NH2+]CC2CC2)o1 ZINC000757168551 582549190 /nfs/dbraw/zinc/54/91/90/582549190.db2.gz BWQSBPJXQADBFD-UHFFFAOYSA-N 1 0 245.775 3.166 10 0 BGAERO Clc1ccc(CSCC[C@H]2CC[NH2+]C2)o1 ZINC000757168559 582549191 /nfs/dbraw/zinc/54/91/91/582549191.db2.gz CAJGVUJSISOLJM-SECBINFHSA-N 1 0 245.775 3.166 10 0 BGAERO Clc1ccc(CSCC[C@@H]2CC[NH2+]C2)o1 ZINC000757168560 582549296 /nfs/dbraw/zinc/54/92/96/582549296.db2.gz CAJGVUJSISOLJM-VIFPVBQESA-N 1 0 245.775 3.166 10 0 BGAERO CCc1ccc(CS[C@H](C)C[C@@H](C)[NH3+])o1 ZINC000757168626 582549361 /nfs/dbraw/zinc/54/93/61/582549361.db2.gz CKROXQNVUOVDBH-NXEZZACHSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@@H](C)C[C@H](C)[NH3+])o1 ZINC000757168657 582549626 /nfs/dbraw/zinc/54/96/26/582549626.db2.gz CKROXQNVUOVDBH-UWVGGRQHSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@H](C)C[C@H](C)[NH3+])o1 ZINC000757168666 582549321 /nfs/dbraw/zinc/54/93/21/582549321.db2.gz CKROXQNVUOVDBH-VHSXEESVSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@@H](C)C[C@@H](C)[NH3+])o1 ZINC000757168674 582549436 /nfs/dbraw/zinc/54/94/36/582549436.db2.gz CKROXQNVUOVDBH-ZJUUUORDSA-N 1 0 227.373 3.201 10 0 BGAERO Clc1ccc(CS[C@H]2CCC[NH2+]CC2)o1 ZINC000757168777 582550221 /nfs/dbraw/zinc/55/02/21/582550221.db2.gz DCPYZAWEQNVWEF-JTQLQIEISA-N 1 0 245.775 3.308 10 0 BGAERO Clc1ccc(CS[C@@H]2CCC[NH2+]CC2)o1 ZINC000757168781 582550170 /nfs/dbraw/zinc/55/01/70/582550170.db2.gz DCPYZAWEQNVWEF-SNVBAGLBSA-N 1 0 245.775 3.308 10 0 BGAERO Clc1ccc(CSC[C@H]2CCCC[NH2+]2)o1 ZINC000757168946 582550057 /nfs/dbraw/zinc/55/00/57/582550057.db2.gz DVCZKZJBGRZWTR-SECBINFHSA-N 1 0 245.775 3.308 10 0 BGAERO Clc1ccc(CSC[C@@H]2CCCC[NH2+]2)o1 ZINC000757168952 586432484 /nfs/dbraw/zinc/43/24/84/586432484.db2.gz DVCZKZJBGRZWTR-VIFPVBQESA-N 1 0 245.775 3.308 10 0 BGAERO CC(C)[NH2+]CCSCc1ccc(Cl)o1 ZINC000757168961 586432424 /nfs/dbraw/zinc/43/24/24/586432424.db2.gz DYHZCNUQWAOENI-UHFFFAOYSA-N 1 0 233.764 3.164 10 0 BGAERO CCC[NH2+]CCSCc1ccc(CC)o1 ZINC000757169013 582549802 /nfs/dbraw/zinc/54/98/02/582549802.db2.gz FHHXLNLNJAGWGI-UHFFFAOYSA-N 1 0 227.373 3.075 10 0 BGAERO CC(C)[C@H](C[NH3+])CSCc1ccc(Cl)o1 ZINC000757169019 582549293 /nfs/dbraw/zinc/54/92/93/582549293.db2.gz FIMPAARLKIWJNW-SECBINFHSA-N 1 0 247.791 3.397 10 0 BGAERO CC(C)[C@@H](C[NH3+])CSCc1ccc(Cl)o1 ZINC000757169021 582549316 /nfs/dbraw/zinc/54/93/16/582549316.db2.gz FIMPAARLKIWJNW-VIFPVBQESA-N 1 0 247.791 3.397 10 0 BGAERO CCC[C@H]([NH3+])CSCc1ccc(CC)o1 ZINC000757169025 582549357 /nfs/dbraw/zinc/54/93/57/582549357.db2.gz FLJAQNXNXNQCIX-JTQLQIEISA-N 1 0 227.373 3.203 10 0 BGAERO CCC[C@@H]([NH3+])CSCc1ccc(CC)o1 ZINC000757169027 582549204 /nfs/dbraw/zinc/54/92/04/582549204.db2.gz FLJAQNXNXNQCIX-SNVBAGLBSA-N 1 0 227.373 3.203 10 0 BGAERO CCc1ccc(CSCCCC[NH2+]C)o1 ZINC000757169040 582549489 /nfs/dbraw/zinc/54/94/89/582549489.db2.gz FQLOSZBRUIOILV-UHFFFAOYSA-N 1 0 227.373 3.075 10 0 BGAERO CC[C@H](CC[NH3+])SCc1ccc(Cl)o1 ZINC000757169207 582550942 /nfs/dbraw/zinc/55/09/42/582550942.db2.gz GMILOPMPAKBFIL-SECBINFHSA-N 1 0 233.764 3.294 10 0 BGAERO CC[C@@H](CC[NH3+])SCc1ccc(Cl)o1 ZINC000757169208 582550512 /nfs/dbraw/zinc/55/05/12/582550512.db2.gz GMILOPMPAKBFIL-VIFPVBQESA-N 1 0 233.764 3.294 10 0 BGAERO CCc1ccc(CS[C@H](C)[C@H]([NH3+])CC)o1 ZINC000757169213 582550776 /nfs/dbraw/zinc/55/07/76/582550776.db2.gz GSIQRJCHQYVMNZ-BXKDBHETSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@@H](C)[C@@H]([NH3+])CC)o1 ZINC000757169214 582550815 /nfs/dbraw/zinc/55/08/15/582550815.db2.gz GSIQRJCHQYVMNZ-CABZTGNLSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@@H](C)[C@H]([NH3+])CC)o1 ZINC000757169215 582550516 /nfs/dbraw/zinc/55/05/16/582550516.db2.gz GSIQRJCHQYVMNZ-JOYOIKCWSA-N 1 0 227.373 3.201 10 0 BGAERO CCc1ccc(CS[C@H](C)[C@@H]([NH3+])CC)o1 ZINC000757169216 582550585 /nfs/dbraw/zinc/55/05/85/582550585.db2.gz GSIQRJCHQYVMNZ-SKDRFNHKSA-N 1 0 227.373 3.201 10 0 BGAERO C[C@@H]([NH3+])C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169217 582550944 /nfs/dbraw/zinc/55/09/44/582550944.db2.gz GXBMLBVXBAUTCN-HTQZYQBOSA-N 1 0 233.764 3.292 10 0 BGAERO C[C@H](C[C@H](C)[NH3+])SCc1ccc(Cl)o1 ZINC000757169218 582550911 /nfs/dbraw/zinc/55/09/11/582550911.db2.gz GXBMLBVXBAUTCN-JGVFFNPUSA-N 1 0 233.764 3.292 10 0 BGAERO C[C@@H]([NH3+])C[C@H](C)SCc1ccc(Cl)o1 ZINC000757169219 582550873 /nfs/dbraw/zinc/55/08/73/582550873.db2.gz GXBMLBVXBAUTCN-SFYZADRCSA-N 1 0 233.764 3.292 10 0 BGAERO C[C@H]([NH3+])C[C@H](C)SCc1ccc(Cl)o1 ZINC000757169220 582550581 /nfs/dbraw/zinc/55/05/81/582550581.db2.gz GXBMLBVXBAUTCN-YUMQZZPRSA-N 1 0 233.764 3.292 10 0 BGAERO C[NH2+]CCCCSCc1ccc(Cl)o1 ZINC000757169223 582550691 /nfs/dbraw/zinc/55/06/91/582550691.db2.gz GZVKFUXTSZKZLB-UHFFFAOYSA-N 1 0 233.764 3.166 10 0 BGAERO C[NH2+][C@@H](CSCc1ccc(Cl)o1)C(C)C ZINC000757169279 586432703 /nfs/dbraw/zinc/43/27/03/586432703.db2.gz HMIVQWXLOKPCQH-JTQLQIEISA-N 1 0 247.791 3.410 10 0 BGAERO C[NH2+][C@H](CSCc1ccc(Cl)o1)C(C)C ZINC000757169280 586432519 /nfs/dbraw/zinc/43/25/19/586432519.db2.gz HMIVQWXLOKPCQH-SNVBAGLBSA-N 1 0 247.791 3.410 10 0 BGAERO C[C@@]1(CSCc2ccc(Cl)o2)CC[NH2+]C1 ZINC000757169363 582550724 /nfs/dbraw/zinc/55/07/24/582550724.db2.gz HSQZHGRLESJXDQ-LLVKDONJSA-N 1 0 245.775 3.166 10 0 BGAERO C[C@]1(CSCc2ccc(Cl)o2)CC[NH2+]C1 ZINC000757169367 582550572 /nfs/dbraw/zinc/55/05/72/582550572.db2.gz HSQZHGRLESJXDQ-NSHDSACASA-N 1 0 245.775 3.166 10 0 BGAERO [NH3+]CCC1(CSCc2ccc(Cl)o2)CC1 ZINC000757169437 582550712 /nfs/dbraw/zinc/55/07/12/582550712.db2.gz IEURWZWDJMLXGY-UHFFFAOYSA-N 1 0 245.775 3.295 10 0 BGAERO CC[NH2+]C[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169449 582550620 /nfs/dbraw/zinc/55/06/20/582550620.db2.gz ILBHGVOEDIALIF-MRVPVSSYSA-N 1 0 233.764 3.164 10 0 BGAERO CC[NH2+]C[C@H](C)SCc1ccc(Cl)o1 ZINC000757169450 582550744 /nfs/dbraw/zinc/55/07/44/582550744.db2.gz ILBHGVOEDIALIF-QMMMGPOBSA-N 1 0 233.764 3.164 10 0 BGAERO C[NH2+][C@H](C)CCSCc1ccc(Cl)o1 ZINC000757169482 586433169 /nfs/dbraw/zinc/43/31/69/586433169.db2.gz IPCWOYMUBMLWBV-MRVPVSSYSA-N 1 0 233.764 3.164 10 0 BGAERO C[NH2+][C@@H](C)CCSCc1ccc(Cl)o1 ZINC000757169483 586432979 /nfs/dbraw/zinc/43/29/79/586432979.db2.gz IPCWOYMUBMLWBV-QMMMGPOBSA-N 1 0 233.764 3.164 10 0 BGAERO CC[C@H]([NH3+])[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169496 586432959 /nfs/dbraw/zinc/43/29/59/586432959.db2.gz IQIPTEAXXCEYTE-APPZFPTMSA-N 1 0 233.764 3.292 10 0 BGAERO CC[C@H]([NH3+])[C@H](C)SCc1ccc(Cl)o1 ZINC000757169497 586433111 /nfs/dbraw/zinc/43/31/11/586433111.db2.gz IQIPTEAXXCEYTE-CBAPKCEASA-N 1 0 233.764 3.292 10 0 BGAERO C[C@H](CCC[NH3+])SCc1ccc(Cl)o1 ZINC000757169508 586432960 /nfs/dbraw/zinc/43/29/60/586432960.db2.gz ITWMGTXAHPGGLV-MRVPVSSYSA-N 1 0 233.764 3.294 10 0 BGAERO C[C@@H](CCC[NH3+])SCc1ccc(Cl)o1 ZINC000757169509 586432895 /nfs/dbraw/zinc/43/28/95/586432895.db2.gz ITWMGTXAHPGGLV-QMMMGPOBSA-N 1 0 233.764 3.294 10 0 BGAERO CCc1ccc(CSCCC[C@H](C)[NH3+])o1 ZINC000757169601 586432899 /nfs/dbraw/zinc/43/28/99/586432899.db2.gz JHXDWSMDQFQTSX-JTQLQIEISA-N 1 0 227.373 3.203 10 0 BGAERO CCc1ccc(CSCCC[C@@H](C)[NH3+])o1 ZINC000757169602 586433234 /nfs/dbraw/zinc/43/32/34/586433234.db2.gz JHXDWSMDQFQTSX-SNVBAGLBSA-N 1 0 227.373 3.203 10 0 BGAERO Clc1ccc(CSCC[C@H]2CCC[NH2+]2)o1 ZINC000757169605 586433059 /nfs/dbraw/zinc/43/30/59/586433059.db2.gz JNBJYOJEGIKWJV-SECBINFHSA-N 1 0 245.775 3.308 10 0 BGAERO Clc1ccc(CSCC[C@@H]2CCC[NH2+]2)o1 ZINC000757169606 586433036 /nfs/dbraw/zinc/43/30/36/586433036.db2.gz JNBJYOJEGIKWJV-VIFPVBQESA-N 1 0 245.775 3.308 10 0 BGAERO C[C@H]1[C@H](SCc2ccc(Cl)o2)CC[C@@H]1[NH3+] ZINC000757169617 643354376 /nfs/dbraw/zinc/35/43/76/643354376.db2.gz JVEVJYGRDOADAI-FKTZTGRPSA-N 1 0 245.775 3.292 10 0 BGAERO C[C@@H]1[C@@H]([NH3+])CC[C@@H]1SCc1ccc(Cl)o1 ZINC000757169618 643353142 /nfs/dbraw/zinc/35/31/42/643353142.db2.gz JVEVJYGRDOADAI-JEZHCXPESA-N 1 0 245.775 3.292 10 0 BGAERO C[C@@H]1[C@H]([NH3+])CC[C@@H]1SCc1ccc(Cl)o1 ZINC000757169619 643354340 /nfs/dbraw/zinc/35/43/40/643354340.db2.gz JVEVJYGRDOADAI-QNSHHTMESA-N 1 0 245.775 3.292 10 0 BGAERO C[C@@H]1[C@H]([NH3+])CC[C@H]1SCc1ccc(Cl)o1 ZINC000757169620 643353088 /nfs/dbraw/zinc/35/30/88/643353088.db2.gz JVEVJYGRDOADAI-SZEHBUNVSA-N 1 0 245.775 3.292 10 0 BGAERO CC(C)[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757169628 643354637 /nfs/dbraw/zinc/35/46/37/643354637.db2.gz KAODZFNHQURMKJ-SECBINFHSA-N 1 0 233.764 3.150 10 0 BGAERO CC(C)[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757169629 643353473 /nfs/dbraw/zinc/35/34/73/643353473.db2.gz KAODZFNHQURMKJ-VIFPVBQESA-N 1 0 233.764 3.150 10 0 BGAERO C[NH2+][C@H](C)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169636 643354520 /nfs/dbraw/zinc/35/45/20/643354520.db2.gz KDEAXOJFWPQGMH-HTQZYQBOSA-N 1 0 233.764 3.163 10 0 BGAERO C[NH2+][C@@H](C)[C@@H](C)SCc1ccc(Cl)o1 ZINC000757169637 643353798 /nfs/dbraw/zinc/35/37/98/643353798.db2.gz KDEAXOJFWPQGMH-JGVFFNPUSA-N 1 0 233.764 3.163 10 0 BGAERO C[NH2+][C@H](C)[C@H](C)SCc1ccc(Cl)o1 ZINC000757169638 643354224 /nfs/dbraw/zinc/35/42/24/643354224.db2.gz KDEAXOJFWPQGMH-SFYZADRCSA-N 1 0 233.764 3.163 10 0 BGAERO C[NH2+][C@@H](C)[C@H](C)SCc1ccc(Cl)o1 ZINC000757169639 643353169 /nfs/dbraw/zinc/35/31/69/643353169.db2.gz KDEAXOJFWPQGMH-YUMQZZPRSA-N 1 0 233.764 3.163 10 0 BGAERO CC[NH2+]C[C@H](C)SCc1ccc(CC)o1 ZINC000757169640 643353804 /nfs/dbraw/zinc/35/38/04/643353804.db2.gz KDVQRIFNBPJHHS-JTQLQIEISA-N 1 0 227.373 3.073 10 0 BGAERO CC[NH2+]C[C@@H](C)SCc1ccc(CC)o1 ZINC000757169641 643354511 /nfs/dbraw/zinc/35/45/11/643354511.db2.gz KDVQRIFNBPJHHS-SNVBAGLBSA-N 1 0 227.373 3.073 10 0 BGAERO CCc1ccc(CSCCCCC[NH3+])o1 ZINC000757169662 643353379 /nfs/dbraw/zinc/35/33/79/643353379.db2.gz LAOKGTNQMZFTNQ-UHFFFAOYSA-N 1 0 227.373 3.204 10 0 BGAERO CCc1ccc(CSC[C@H](CC)[NH2+]C)o1 ZINC000757169665 643353136 /nfs/dbraw/zinc/35/31/36/643353136.db2.gz LBPQLTQBXJWUSY-JTQLQIEISA-N 1 0 227.373 3.073 10 0 BGAERO CCc1ccc(CSC[C@@H](CC)[NH2+]C)o1 ZINC000757169666 643353564 /nfs/dbraw/zinc/35/35/64/643353564.db2.gz LBPQLTQBXJWUSY-SNVBAGLBSA-N 1 0 227.373 3.073 10 0 BGAERO CCc1ccc(CSCC[C@H](C)[NH2+]C)o1 ZINC000757169700 582550291 /nfs/dbraw/zinc/55/02/91/582550291.db2.gz LUGRZXJIXAJIHY-JTQLQIEISA-N 1 0 227.373 3.073 10 0 BGAERO CCc1ccc(CSCC[C@@H](C)[NH2+]C)o1 ZINC000757169701 582549932 /nfs/dbraw/zinc/54/99/32/582549932.db2.gz LUGRZXJIXAJIHY-SNVBAGLBSA-N 1 0 227.373 3.073 10 0 BGAERO C[C@@H](SCc1ccc(Cl)o1)[C@H]1CCC[NH2+]1 ZINC000757169749 582549920 /nfs/dbraw/zinc/54/99/20/582549920.db2.gz MESCTCIHSBMDQD-PSASIEDQSA-N 1 0 245.775 3.307 10 0 BGAERO C[C@@H](SCc1ccc(Cl)o1)[C@@H]1CCC[NH2+]1 ZINC000757169801 582550086 /nfs/dbraw/zinc/55/00/86/582550086.db2.gz MESCTCIHSBMDQD-SCZZXKLOSA-N 1 0 245.775 3.307 10 0 BGAERO C[C@H](SCc1ccc(Cl)o1)[C@H]1CCC[NH2+]1 ZINC000757169802 582550230 /nfs/dbraw/zinc/55/02/30/582550230.db2.gz MESCTCIHSBMDQD-WCBMZHEXSA-N 1 0 245.775 3.307 10 0 BGAERO C[C@H](SCc1ccc(Cl)o1)[C@@H]1CCC[NH2+]1 ZINC000757169803 582550188 /nfs/dbraw/zinc/55/01/88/582550188.db2.gz MESCTCIHSBMDQD-WPRPVWTQSA-N 1 0 245.775 3.307 10 0 BGAERO Clc1ccc(CSCC2CC[NH2+]CC2)o1 ZINC000757169805 582550022 /nfs/dbraw/zinc/55/00/22/582550022.db2.gz MFJJVIZBNWXWFV-UHFFFAOYSA-N 1 0 245.775 3.166 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H]1CSCc1ccc(Cl)o1 ZINC000757169806 582549899 /nfs/dbraw/zinc/54/98/99/582549899.db2.gz MGSXWXYFZADJEG-BDAKNGLRSA-N 1 0 245.775 3.022 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H]1CSCc1ccc(Cl)o1 ZINC000757169807 582549925 /nfs/dbraw/zinc/54/99/25/582549925.db2.gz MGSXWXYFZADJEG-DTWKUNHWSA-N 1 0 245.775 3.022 10 0 BGAERO C[C@H]1C[NH2+]C[C@H]1CSCc1ccc(Cl)o1 ZINC000757169808 582549908 /nfs/dbraw/zinc/54/99/08/582549908.db2.gz MGSXWXYFZADJEG-IUCAKERBSA-N 1 0 245.775 3.022 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H]1CSCc1ccc(Cl)o1 ZINC000757169809 582550186 /nfs/dbraw/zinc/55/01/86/582550186.db2.gz MGSXWXYFZADJEG-RKDXNWHRSA-N 1 0 245.775 3.022 10 0 BGAERO [NH3+]CCCCCSCc1ccc(Cl)o1 ZINC000757169838 582549805 /nfs/dbraw/zinc/54/98/05/582549805.db2.gz MSHHXOCGNFJRTK-UHFFFAOYSA-N 1 0 233.764 3.295 10 0 BGAERO CC[C@H](CSCc1ccc(Cl)o1)[NH2+]C ZINC000757169893 582549876 /nfs/dbraw/zinc/54/98/76/582549876.db2.gz NFFTXVQNRBYSFM-MRVPVSSYSA-N 1 0 233.764 3.164 10 0 BGAERO CC[C@@H](CSCc1ccc(Cl)o1)[NH2+]C ZINC000757169901 582549820 /nfs/dbraw/zinc/54/98/20/582549820.db2.gz NFFTXVQNRBYSFM-QMMMGPOBSA-N 1 0 233.764 3.164 10 0 BGAERO CC[NH2+][C@H](C)CSCc1ccc(Cl)o1 ZINC000757169910 582550248 /nfs/dbraw/zinc/55/02/48/582550248.db2.gz NFGPULZKMIXXEV-MRVPVSSYSA-N 1 0 233.764 3.164 10 0 BGAERO CC[NH2+][C@@H](C)CSCc1ccc(Cl)o1 ZINC000757169913 582550024 /nfs/dbraw/zinc/55/00/24/582550024.db2.gz NFGPULZKMIXXEV-QMMMGPOBSA-N 1 0 233.764 3.164 10 0 BGAERO C[NH2+][C@@H]1CCC[C@H]1SCc1ccc(Cl)o1 ZINC000757169978 582550275 /nfs/dbraw/zinc/55/02/75/582550275.db2.gz NRWBEGPKPWFYIG-NXEZZACHSA-N 1 0 245.775 3.307 10 0 BGAERO C[NH2+][C@H]1CCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757169984 582549957 /nfs/dbraw/zinc/54/99/57/582549957.db2.gz NRWBEGPKPWFYIG-UWVGGRQHSA-N 1 0 245.775 3.307 10 0 BGAERO C[NH2+][C@H]1CCC[C@H]1SCc1ccc(Cl)o1 ZINC000757169986 582549860 /nfs/dbraw/zinc/54/98/60/582549860.db2.gz NRWBEGPKPWFYIG-VHSXEESVSA-N 1 0 245.775 3.307 10 0 BGAERO C[NH2+][C@@H]1CCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757169990 582549998 /nfs/dbraw/zinc/54/99/98/582549998.db2.gz NRWBEGPKPWFYIG-ZJUUUORDSA-N 1 0 245.775 3.307 10 0 BGAERO [NH3+]C[C@H]1CCC[C@H]1SCc1ccc(Cl)o1 ZINC000757170136 582549977 /nfs/dbraw/zinc/54/99/77/582549977.db2.gz ONCPAFDYLOZCEA-PSASIEDQSA-N 1 0 245.775 3.294 10 0 BGAERO [NH3+]C[C@H]1CCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757170163 582550136 /nfs/dbraw/zinc/55/01/36/582550136.db2.gz ONCPAFDYLOZCEA-SCZZXKLOSA-N 1 0 245.775 3.294 10 0 BGAERO [NH3+]C[C@@H]1CCC[C@H]1SCc1ccc(Cl)o1 ZINC000757170166 582549892 /nfs/dbraw/zinc/54/98/92/582549892.db2.gz ONCPAFDYLOZCEA-WCBMZHEXSA-N 1 0 245.775 3.294 10 0 BGAERO [NH3+]C[C@@H]1CCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757170168 582550050 /nfs/dbraw/zinc/55/00/50/582550050.db2.gz ONCPAFDYLOZCEA-WPRPVWTQSA-N 1 0 245.775 3.294 10 0 BGAERO CC(C)(C[NH3+])CSCc1ccc(Cl)o1 ZINC000757170252 582549976 /nfs/dbraw/zinc/54/99/76/582549976.db2.gz PBPYDNDYEMXREB-UHFFFAOYSA-N 1 0 233.764 3.151 10 0 BGAERO CCC[C@@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757170507 586433135 /nfs/dbraw/zinc/43/31/35/586433135.db2.gz PUQUCEDHPIFRRM-MRVPVSSYSA-N 1 0 233.764 3.294 10 0 BGAERO CCC[C@H]([NH3+])CSCc1ccc(Cl)o1 ZINC000757170509 586433195 /nfs/dbraw/zinc/43/31/95/586433195.db2.gz PUQUCEDHPIFRRM-QMMMGPOBSA-N 1 0 233.764 3.294 10 0 BGAERO C[NH2+][C@@H]1CC[C@@H](SCc2ccc(Cl)o2)C1 ZINC000757170528 582550697 /nfs/dbraw/zinc/55/06/97/582550697.db2.gz QHXWKSIQXQDQEP-PSASIEDQSA-N 1 0 245.775 3.307 10 0 BGAERO C[NH2+][C@@H]1CC[C@H](SCc2ccc(Cl)o2)C1 ZINC000757170529 582550913 /nfs/dbraw/zinc/55/09/13/582550913.db2.gz QHXWKSIQXQDQEP-SCZZXKLOSA-N 1 0 245.775 3.307 10 0 BGAERO C[NH2+][C@H]1CC[C@@H](SCc2ccc(Cl)o2)C1 ZINC000757170530 582550797 /nfs/dbraw/zinc/55/07/97/582550797.db2.gz QHXWKSIQXQDQEP-WCBMZHEXSA-N 1 0 245.775 3.307 10 0 BGAERO C[NH2+][C@H]1CC[C@H](SCc2ccc(Cl)o2)C1 ZINC000757170531 582550897 /nfs/dbraw/zinc/55/08/97/582550897.db2.gz QHXWKSIQXQDQEP-WPRPVWTQSA-N 1 0 245.775 3.307 10 0 BGAERO C[C@@H]([NH3+])CCCSCc1ccc(Cl)o1 ZINC000757170534 582550808 /nfs/dbraw/zinc/55/08/08/582550808.db2.gz QKXJLCWDZOGLNY-MRVPVSSYSA-N 1 0 233.764 3.294 10 0 BGAERO C[C@H]([NH3+])CCCSCc1ccc(Cl)o1 ZINC000757170535 582550597 /nfs/dbraw/zinc/55/05/97/582550597.db2.gz QKXJLCWDZOGLNY-QMMMGPOBSA-N 1 0 233.764 3.294 10 0 BGAERO Clc1ccc(CS[C@H]2CCCC[NH2+]C2)o1 ZINC000757170817 582550669 /nfs/dbraw/zinc/55/06/69/582550669.db2.gz QUGAVZXXKBVEOQ-JTQLQIEISA-N 1 0 245.775 3.308 10 0 BGAERO Clc1ccc(CS[C@@H]2CCCC[NH2+]C2)o1 ZINC000757170821 582550762 /nfs/dbraw/zinc/55/07/62/582550762.db2.gz QUGAVZXXKBVEOQ-SNVBAGLBSA-N 1 0 245.775 3.308 10 0 BGAERO [NH3+][C@H]1CC[C@@H](CSCc2ccc(Cl)o2)C1 ZINC000757171093 643354110 /nfs/dbraw/zinc/35/41/10/643354110.db2.gz SIDOUCUAGWWHQH-BDAKNGLRSA-N 1 0 245.775 3.294 10 0 BGAERO [NH3+][C@@H]1CC[C@H](CSCc2ccc(Cl)o2)C1 ZINC000757171099 643354069 /nfs/dbraw/zinc/35/40/69/643354069.db2.gz SIDOUCUAGWWHQH-DTWKUNHWSA-N 1 0 245.775 3.294 10 0 BGAERO [NH3+][C@H]1CC[C@H](CSCc2ccc(Cl)o2)C1 ZINC000757171116 643353890 /nfs/dbraw/zinc/35/38/90/643353890.db2.gz SIDOUCUAGWWHQH-IUCAKERBSA-N 1 0 245.775 3.294 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](CSCc2ccc(Cl)o2)C1 ZINC000757171148 643354040 /nfs/dbraw/zinc/35/40/40/643354040.db2.gz SIDOUCUAGWWHQH-RKDXNWHRSA-N 1 0 245.775 3.294 10 0 BGAERO CC[NH2+][C@@H](C)CSCc1ccc(CC)o1 ZINC000757171559 582551519 /nfs/dbraw/zinc/55/15/19/582551519.db2.gz UUPBZRAWVSLEGW-JTQLQIEISA-N 1 0 227.373 3.073 10 0 BGAERO CC[NH2+][C@H](C)CSCc1ccc(CC)o1 ZINC000757171568 582551472 /nfs/dbraw/zinc/55/14/72/582551472.db2.gz UUPBZRAWVSLEGW-SNVBAGLBSA-N 1 0 227.373 3.073 10 0 BGAERO [NH3+][C@@H]1CC[C@H](SCc2ccc(Cl)o2)C1 ZINC000757171715 582551232 /nfs/dbraw/zinc/55/12/32/582551232.db2.gz VNZXKVDNGCBMAW-APPZFPTMSA-N 1 0 231.748 3.046 10 0 BGAERO [NH3+][C@H]1CC[C@H](SCc2ccc(Cl)o2)C1 ZINC000757171732 643353301 /nfs/dbraw/zinc/35/33/01/643353301.db2.gz VNZXKVDNGCBMAW-CBAPKCEASA-N 1 0 231.748 3.046 10 0 BGAERO [NH3+][C@H]1CC[C@@H](SCc2ccc(Cl)o2)C1 ZINC000757171741 643353669 /nfs/dbraw/zinc/35/36/69/643353669.db2.gz VNZXKVDNGCBMAW-IONNQARKSA-N 1 0 231.748 3.046 10 0 BGAERO [NH3+][C@@H]1CC[C@@H](SCc2ccc(Cl)o2)C1 ZINC000757171743 643354221 /nfs/dbraw/zinc/35/42/21/643354221.db2.gz VNZXKVDNGCBMAW-VXNVDRBHSA-N 1 0 231.748 3.046 10 0 BGAERO Clc1ccc(CSC[C@@H]2CCC[NH2+]C2)o1 ZINC000757171879 582552078 /nfs/dbraw/zinc/55/20/78/582552078.db2.gz WFPRJMCMXCSPIO-SECBINFHSA-N 1 0 245.775 3.166 10 0 BGAERO Clc1ccc(CSC[C@H]2CCC[NH2+]C2)o1 ZINC000757171883 582551973 /nfs/dbraw/zinc/55/19/73/582551973.db2.gz WFPRJMCMXCSPIO-VIFPVBQESA-N 1 0 245.775 3.166 10 0 BGAERO [NH3+][C@@H]1CCCC[C@H]1SCc1ccc(Cl)o1 ZINC000757172014 582551304 /nfs/dbraw/zinc/55/13/04/582551304.db2.gz WSPJINQSENFCBQ-NXEZZACHSA-N 1 0 245.775 3.436 10 0 BGAERO [NH3+][C@H]1CCCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757172020 582551214 /nfs/dbraw/zinc/55/12/14/582551214.db2.gz WSPJINQSENFCBQ-UWVGGRQHSA-N 1 0 245.775 3.436 10 0 BGAERO [NH3+][C@H]1CCCC[C@H]1SCc1ccc(Cl)o1 ZINC000757172023 582551331 /nfs/dbraw/zinc/55/13/31/582551331.db2.gz WSPJINQSENFCBQ-VHSXEESVSA-N 1 0 245.775 3.436 10 0 BGAERO [NH3+][C@@H]1CCCC[C@@H]1SCc1ccc(Cl)o1 ZINC000757172039 582551235 /nfs/dbraw/zinc/55/12/35/582551235.db2.gz WSPJINQSENFCBQ-ZJUUUORDSA-N 1 0 245.775 3.436 10 0 BGAERO [NH3+]C1CCC(SCc2ccc(Cl)o2)CC1 ZINC000757172044 582551131 /nfs/dbraw/zinc/55/11/31/582551131.db2.gz WWSAKSPYLUZPFY-UHFFFAOYSA-N 1 0 245.775 3.436 10 0 BGAERO CCc1ccc(CS[C@H](CC)CC[NH3+])o1 ZINC000757172054 582551268 /nfs/dbraw/zinc/55/12/68/582551268.db2.gz WYTNTUHLAGAAHL-GFCCVEGCSA-N 1 0 227.373 3.203 10 0 BGAERO CCc1ccc(CS[C@@H](CC)CC[NH3+])o1 ZINC000757172058 582551473 /nfs/dbraw/zinc/55/14/73/582551473.db2.gz WYTNTUHLAGAAHL-LBPRGKRZSA-N 1 0 227.373 3.203 10 0 BGAERO [NH3+][C@@H]1CCC[C@@H](SCc2ccc(Cl)o2)C1 ZINC000757172490 582551915 /nfs/dbraw/zinc/55/19/15/582551915.db2.gz XTRDUMPCJAMCJD-PSASIEDQSA-N 1 0 245.775 3.436 10 0 BGAERO [NH3+][C@@H]1CCC[C@H](SCc2ccc(Cl)o2)C1 ZINC000757172492 582551878 /nfs/dbraw/zinc/55/18/78/582551878.db2.gz XTRDUMPCJAMCJD-SCZZXKLOSA-N 1 0 245.775 3.436 10 0 BGAERO [NH3+][C@H]1CCC[C@@H](SCc2ccc(Cl)o2)C1 ZINC000757172501 582551904 /nfs/dbraw/zinc/55/19/04/582551904.db2.gz XTRDUMPCJAMCJD-WCBMZHEXSA-N 1 0 245.775 3.436 10 0 BGAERO [NH3+][C@H]1CCC[C@H](SCc2ccc(Cl)o2)C1 ZINC000757172503 582551991 /nfs/dbraw/zinc/55/19/91/582551991.db2.gz XTRDUMPCJAMCJD-WPRPVWTQSA-N 1 0 245.775 3.436 10 0 BGAERO CCc1ccc(CS[C@H](C)[C@@H](C)[NH2+]C)o1 ZINC000757172539 582551994 /nfs/dbraw/zinc/55/19/94/582551994.db2.gz XXTPGFDLJIZXBW-NXEZZACHSA-N 1 0 227.373 3.072 10 0 BGAERO CCc1ccc(CS[C@@H](C)[C@H](C)[NH2+]C)o1 ZINC000757172540 582552030 /nfs/dbraw/zinc/55/20/30/582552030.db2.gz XXTPGFDLJIZXBW-UWVGGRQHSA-N 1 0 227.373 3.072 10 0 BGAERO CCc1ccc(CS[C@H](C)[C@H](C)[NH2+]C)o1 ZINC000757172543 582551674 /nfs/dbraw/zinc/55/16/74/582551674.db2.gz XXTPGFDLJIZXBW-VHSXEESVSA-N 1 0 227.373 3.072 10 0 BGAERO CCc1ccc(CS[C@@H](C)[C@@H](C)[NH2+]C)o1 ZINC000757172544 582552005 /nfs/dbraw/zinc/55/20/05/582552005.db2.gz XXTPGFDLJIZXBW-ZJUUUORDSA-N 1 0 227.373 3.072 10 0 BGAERO CCc1ccc(CSCC[NH2+]C(C)C)o1 ZINC000757172675 582551997 /nfs/dbraw/zinc/55/19/97/582551997.db2.gz YRKUJNLSSAHKMK-UHFFFAOYSA-N 1 0 227.373 3.073 10 0 BGAERO CCc1ccc(CSC[C@@H]([NH3+])C(C)C)o1 ZINC000757172731 582551900 /nfs/dbraw/zinc/55/19/00/582551900.db2.gz YVRPDSMSBHEBLK-GFCCVEGCSA-N 1 0 227.373 3.059 10 0 BGAERO CCc1ccc(CSC[C@H]([NH3+])C(C)C)o1 ZINC000757172732 582551737 /nfs/dbraw/zinc/55/17/37/582551737.db2.gz YVRPDSMSBHEBLK-LBPRGKRZSA-N 1 0 227.373 3.059 10 0 BGAERO CC[NH2+]CCCSCc1ccc(CC)o1 ZINC000757172744 582551711 /nfs/dbraw/zinc/55/17/11/582551711.db2.gz YYTRPDVEAMKBLL-UHFFFAOYSA-N 1 0 227.373 3.075 10 0 BGAERO C[NH2+]C[C@@H](C)CSCc1ccc(Cl)o1 ZINC000757172753 582551883 /nfs/dbraw/zinc/55/18/83/582551883.db2.gz ZJPBPHMKRCVNLN-MRVPVSSYSA-N 1 0 233.764 3.022 10 0 BGAERO C[NH2+]C[C@H](C)CSCc1ccc(Cl)o1 ZINC000757172754 582551762 /nfs/dbraw/zinc/55/17/62/582551762.db2.gz ZJPBPHMKRCVNLN-QMMMGPOBSA-N 1 0 233.764 3.022 10 0 BGAERO CC(C)c1ccc2c(c1)C[C@@H]([NH3+])CCC2 ZINC000757174783 586432910 /nfs/dbraw/zinc/43/29/10/586432910.db2.gz BKDANJDUODXHNR-AWEZNQCLSA-N 1 0 203.329 3.016 10 0 BGAERO CC(C)c1ccc2c(c1)C[C@H]([NH3+])CCC2 ZINC000757174785 582551713 /nfs/dbraw/zinc/55/17/13/582551713.db2.gz BKDANJDUODXHNR-CQSZACIVSA-N 1 0 203.329 3.016 10 0 BGAERO [NH3+]CCc1c(Cl)cc(Cl)cc1Cl ZINC000757175562 582552197 /nfs/dbraw/zinc/55/21/97/582552197.db2.gz KCHBEAMNVGOCJJ-UHFFFAOYSA-N 1 0 224.518 3.148 10 0 BGAERO C[NH2+]CCc1c(Cl)cc(Cl)cc1Cl ZINC000757175986 586433158 /nfs/dbraw/zinc/43/31/58/586433158.db2.gz SPAAMALQNVQTBK-UHFFFAOYSA-N 1 0 238.545 3.409 10 0 BGAERO [NH3+]CC1([C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000757182375 586433711 /nfs/dbraw/zinc/43/37/11/586433711.db2.gz HMEKHRLOXUZWSN-BDAKNGLRSA-N 1 0 221.266 3.094 10 0 BGAERO [NH3+]CC1([C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000757182381 586433714 /nfs/dbraw/zinc/43/37/14/586433714.db2.gz HMEKHRLOXUZWSN-DTWKUNHWSA-N 1 0 221.266 3.094 10 0 BGAERO [NH3+]CC1([C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000757182383 586433512 /nfs/dbraw/zinc/43/35/12/586433512.db2.gz HMEKHRLOXUZWSN-IUCAKERBSA-N 1 0 221.266 3.094 10 0 BGAERO [NH3+]CC1([C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000757182385 586433449 /nfs/dbraw/zinc/43/34/49/586433449.db2.gz HMEKHRLOXUZWSN-RKDXNWHRSA-N 1 0 221.266 3.094 10 0 BGAERO [NH3+][C@@H]1CCC2(CC2)c2cc(Cl)ccc21 ZINC000757186032 586434802 /nfs/dbraw/zinc/43/48/02/586434802.db2.gz GAOJRNOWGODYPM-LLVKDONJSA-N 1 0 207.704 3.165 10 0 BGAERO [NH3+][C@H]1CCC2(CC2)c2cc(Cl)ccc21 ZINC000757186039 586434663 /nfs/dbraw/zinc/43/46/63/586434663.db2.gz GAOJRNOWGODYPM-NSHDSACASA-N 1 0 207.704 3.165 10 0 BGAERO [NH3+][C@H]1CCC2(CC2)c2cccc(Cl)c21 ZINC000757186077 586434656 /nfs/dbraw/zinc/43/46/56/586434656.db2.gz GCRFLZXVELWEGX-JTQLQIEISA-N 1 0 207.704 3.165 10 0 BGAERO [NH3+][C@@H]1CCC2(CC2)c2cccc(Cl)c21 ZINC000757186082 586434449 /nfs/dbraw/zinc/43/44/49/586434449.db2.gz GCRFLZXVELWEGX-SNVBAGLBSA-N 1 0 207.704 3.165 10 0 BGAERO Cc1cc(F)cc2c1[C@H]([NH3+])CCC21CCC1 ZINC000757186099 586434596 /nfs/dbraw/zinc/43/45/96/586434596.db2.gz GEXWMMSGTABLPO-GFCCVEGCSA-N 1 0 219.303 3.349 10 0 BGAERO Cc1cc(F)cc2c1[C@@H]([NH3+])CCC21CCC1 ZINC000757186137 586434738 /nfs/dbraw/zinc/43/47/38/586434738.db2.gz GEXWMMSGTABLPO-LBPRGKRZSA-N 1 0 219.303 3.349 10 0 BGAERO CCOc1ccc2c(c1)C(C)(C)CC[C@H]2[NH3+] ZINC000757186374 586434387 /nfs/dbraw/zinc/43/43/87/586434387.db2.gz HLMQJPYTHDMQNJ-CYBMUJFWSA-N 1 0 219.328 3.157 10 0 BGAERO CCOc1ccc2c(c1)C(C)(C)CC[C@@H]2[NH3+] ZINC000757186380 586434752 /nfs/dbraw/zinc/43/47/52/586434752.db2.gz HLMQJPYTHDMQNJ-ZDUSSCGKSA-N 1 0 219.328 3.157 10 0 BGAERO [NH3+][C@@H]1CCC2(CCCC2)c2cc(F)ccc21 ZINC000757186395 586434786 /nfs/dbraw/zinc/43/47/86/586434786.db2.gz HOTLWWURSCEQKC-CYBMUJFWSA-N 1 0 219.303 3.431 10 0 BGAERO [NH3+][C@H]1CCC2(CCCC2)c2cc(F)ccc21 ZINC000757186403 586434566 /nfs/dbraw/zinc/43/45/66/586434566.db2.gz HOTLWWURSCEQKC-ZDUSSCGKSA-N 1 0 219.303 3.431 10 0 BGAERO CCc1ccc2c(c1)C1(CC1)CC[C@H]2[NH3+] ZINC000757186520 582555193 /nfs/dbraw/zinc/55/51/93/582555193.db2.gz INRDIKZERYOKKR-CYBMUJFWSA-N 1 0 201.313 3.074 10 0 BGAERO CCc1ccc2c(c1)C1(CC1)CC[C@@H]2[NH3+] ZINC000757186523 582555173 /nfs/dbraw/zinc/55/51/73/582555173.db2.gz INRDIKZERYOKKR-ZDUSSCGKSA-N 1 0 201.313 3.074 10 0 BGAERO [NH3+][C@@H]1CCC2(CCC2)c2cc(F)ccc21 ZINC000757186548 582555174 /nfs/dbraw/zinc/55/51/74/582555174.db2.gz IYYCGIWOEULHFI-GFCCVEGCSA-N 1 0 205.276 3.041 10 0 BGAERO [NH3+][C@H]1CCC2(CCC2)c2cc(F)ccc21 ZINC000757186552 582555473 /nfs/dbraw/zinc/55/54/73/582555473.db2.gz IYYCGIWOEULHFI-LBPRGKRZSA-N 1 0 205.276 3.041 10 0 BGAERO CC1(C)CC[C@H]([NH3+])c2cc(F)cc(F)c21 ZINC000757186613 582555110 /nfs/dbraw/zinc/55/51/10/582555110.db2.gz JHGSIASIJIZUNS-JTQLQIEISA-N 1 0 211.255 3.036 10 0 BGAERO CC1(C)CC[C@@H]([NH3+])c2cc(F)cc(F)c21 ZINC000757186617 582555396 /nfs/dbraw/zinc/55/53/96/582555396.db2.gz JHGSIASIJIZUNS-SNVBAGLBSA-N 1 0 211.255 3.036 10 0 BGAERO Cc1ccc(F)c2c1C(C)(C)CC[C@@H]2[NH3+] ZINC000757187450 586434706 /nfs/dbraw/zinc/43/47/06/586434706.db2.gz KUYPBMKEZYYUFE-JTQLQIEISA-N 1 0 207.292 3.205 10 0 BGAERO Cc1ccc(F)c2c1C(C)(C)CC[C@H]2[NH3+] ZINC000757187505 586434381 /nfs/dbraw/zinc/43/43/81/586434381.db2.gz KUYPBMKEZYYUFE-SNVBAGLBSA-N 1 0 207.292 3.205 10 0 BGAERO Cc1ccc2c(c1)C1(CCC1)CC[C@H]2[NH3+] ZINC000757187576 586434681 /nfs/dbraw/zinc/43/46/81/586434681.db2.gz KXKLDWBAHNRKDJ-CYBMUJFWSA-N 1 0 201.313 3.210 10 0 BGAERO Cc1ccc2c(c1)C1(CCC1)CC[C@@H]2[NH3+] ZINC000757187587 586434454 /nfs/dbraw/zinc/43/44/54/586434454.db2.gz KXKLDWBAHNRKDJ-ZDUSSCGKSA-N 1 0 201.313 3.210 10 0 BGAERO [NH3+][C@@H]1CCC2(CCC2)c2cc(F)cc(F)c21 ZINC000757187717 586435018 /nfs/dbraw/zinc/43/50/18/586435018.db2.gz LEBBIFKGJFXDBV-LLVKDONJSA-N 1 0 223.266 3.180 10 0 BGAERO [NH3+][C@H]1CCC2(CCC2)c2cc(F)cc(F)c21 ZINC000757187744 586435184 /nfs/dbraw/zinc/43/51/84/586435184.db2.gz LEBBIFKGJFXDBV-NSHDSACASA-N 1 0 223.266 3.180 10 0 BGAERO CC1(C)CC[C@H]([NH3+])c2c(F)cc(F)cc21 ZINC000757188062 586435030 /nfs/dbraw/zinc/43/50/30/586435030.db2.gz MDOWAHVRZICUNG-JTQLQIEISA-N 1 0 211.255 3.036 10 0 BGAERO CC1(C)CC[C@@H]([NH3+])c2c(F)cc(F)cc21 ZINC000757188069 586434863 /nfs/dbraw/zinc/43/48/63/586434863.db2.gz MDOWAHVRZICUNG-SNVBAGLBSA-N 1 0 211.255 3.036 10 0 BGAERO Cc1ccc(F)c2c1C1(CCC1)CC[C@H]2[NH3+] ZINC000757188123 582555263 /nfs/dbraw/zinc/55/52/63/582555263.db2.gz MJZSHQMUVXWXQX-LLVKDONJSA-N 1 0 219.303 3.349 10 0 BGAERO Cc1ccc(F)c2c1C1(CCC1)CC[C@@H]2[NH3+] ZINC000757188133 582555176 /nfs/dbraw/zinc/55/51/76/582555176.db2.gz MJZSHQMUVXWXQX-NSHDSACASA-N 1 0 219.303 3.349 10 0 BGAERO CC1(C)CC[C@H]([NH3+])c2c(Cl)cccc21 ZINC000757188201 582555337 /nfs/dbraw/zinc/55/53/37/582555337.db2.gz NHPGKPWENXDBGD-JTQLQIEISA-N 1 0 209.720 3.411 10 0 BGAERO CC1(C)CC[C@@H]([NH3+])c2c(Cl)cccc21 ZINC000757188207 582555483 /nfs/dbraw/zinc/55/54/83/582555483.db2.gz NHPGKPWENXDBGD-SNVBAGLBSA-N 1 0 209.720 3.411 10 0 BGAERO CC(C)c1ccc(C2(C[NH3+])CC(F)(F)C2)cc1 ZINC000757188331 582555275 /nfs/dbraw/zinc/55/52/75/582555275.db2.gz ACDMKOZAGZDDBR-UHFFFAOYSA-N 1 0 239.309 3.436 10 0 BGAERO [NH3+][C@@H]1CCC2(CCC2)c2cccc(F)c21 ZINC000757188723 582555857 /nfs/dbraw/zinc/55/58/57/582555857.db2.gz NYOGBSWRTRZOIA-LLVKDONJSA-N 1 0 205.276 3.041 10 0 BGAERO [NH3+][C@H]1CCC2(CCC2)c2cccc(F)c21 ZINC000757188727 582556081 /nfs/dbraw/zinc/55/60/81/582556081.db2.gz NYOGBSWRTRZOIA-NSHDSACASA-N 1 0 205.276 3.041 10 0 BGAERO CCOc1ccc2c(c1)C1(CCC1)CC[C@@H]2[NH3+] ZINC000757189151 586435171 /nfs/dbraw/zinc/43/51/71/586435171.db2.gz PORUQOSMYIATKR-AWEZNQCLSA-N 1 0 231.339 3.301 10 0 BGAERO CCOc1ccc2c(c1)C1(CCC1)CC[C@H]2[NH3+] ZINC000757189157 586435041 /nfs/dbraw/zinc/43/50/41/586435041.db2.gz PORUQOSMYIATKR-CQSZACIVSA-N 1 0 231.339 3.301 10 0 BGAERO [NH3+][C@@H]1CCC2(CCCC2)c2cccc(F)c21 ZINC000757189266 586435156 /nfs/dbraw/zinc/43/51/56/586435156.db2.gz QANOEYRKFBPCJT-GFCCVEGCSA-N 1 0 219.303 3.431 10 0 BGAERO [NH3+][C@H]1CCC2(CCCC2)c2cccc(F)c21 ZINC000757189295 586434982 /nfs/dbraw/zinc/43/49/82/586434982.db2.gz QANOEYRKFBPCJT-LBPRGKRZSA-N 1 0 219.303 3.431 10 0 BGAERO [NH3+]CC1(c2cccc3ccccc32)CC(F)(F)C1 ZINC000757189440 582556120 /nfs/dbraw/zinc/55/61/20/582556120.db2.gz HPTREEPDJPKVQT-UHFFFAOYSA-N 1 0 247.288 3.465 10 0 BGAERO CCc1ccc2c(c1)C1(CCC1)CC[C@@H]2[NH3+] ZINC000757189568 582556156 /nfs/dbraw/zinc/55/61/56/582556156.db2.gz RKFWLBNKFWNXRN-AWEZNQCLSA-N 1 0 215.340 3.464 10 0 BGAERO CCc1ccc2c(c1)C1(CCC1)CC[C@H]2[NH3+] ZINC000757189581 586435623 /nfs/dbraw/zinc/43/56/23/586435623.db2.gz RKFWLBNKFWNXRN-CQSZACIVSA-N 1 0 215.340 3.464 10 0 BGAERO [NH3+][C@@H]1CCC2(CCC2)c2c(F)cc(F)cc21 ZINC000757189610 582556039 /nfs/dbraw/zinc/55/60/39/582556039.db2.gz RXMYCLGOAUNWOH-LLVKDONJSA-N 1 0 223.266 3.180 10 0 BGAERO [NH3+][C@H]1CCC2(CCC2)c2c(F)cc(F)cc21 ZINC000757189615 582555810 /nfs/dbraw/zinc/55/58/10/582555810.db2.gz RXMYCLGOAUNWOH-NSHDSACASA-N 1 0 223.266 3.180 10 0 BGAERO [NH3+]CC1(c2c(F)cccc2Cl)CC(F)(F)C1 ZINC000757190366 582555846 /nfs/dbraw/zinc/55/58/46/582555846.db2.gz KJPWWMDUBPFEAB-UHFFFAOYSA-N 1 0 249.663 3.105 10 0 BGAERO [NH3+][C@@H]1CCC2(CCCC2)c2ccccc21 ZINC000757190373 643361181 /nfs/dbraw/zinc/36/11/81/643361181.db2.gz VPXIKGXMPWXASW-CYBMUJFWSA-N 1 0 201.313 3.292 10 0 BGAERO [NH3+][C@H]1CCC2(CCCC2)c2ccccc21 ZINC000757190375 582556154 /nfs/dbraw/zinc/55/61/54/582556154.db2.gz VPXIKGXMPWXASW-ZDUSSCGKSA-N 1 0 201.313 3.292 10 0 BGAERO CCc1ccc2c(c1)C(C)(C)CC[C@H]2[NH3+] ZINC000757190664 643362589 /nfs/dbraw/zinc/36/25/89/643362589.db2.gz YKTZRCJXRIRIMI-CYBMUJFWSA-N 1 0 203.329 3.320 10 0 BGAERO CCc1ccc2c(c1)C(C)(C)CC[C@@H]2[NH3+] ZINC000757190668 643363312 /nfs/dbraw/zinc/36/33/12/643363312.db2.gz YKTZRCJXRIRIMI-ZDUSSCGKSA-N 1 0 203.329 3.320 10 0 BGAERO Cc1cc(F)cc2c1[C@H]([NH3+])CCC2(C)C ZINC000757190675 643363181 /nfs/dbraw/zinc/36/31/81/643363181.db2.gz YTUXSJUDSPWWHA-LLVKDONJSA-N 1 0 207.292 3.205 10 0 BGAERO Cc1cc(F)cc2c1[C@@H]([NH3+])CCC2(C)C ZINC000757190677 643362442 /nfs/dbraw/zinc/36/24/42/643362442.db2.gz YTUXSJUDSPWWHA-NSHDSACASA-N 1 0 207.292 3.205 10 0 BGAERO [NH3+]CC1(c2ccc(F)cc2Cl)CC(F)(F)C1 ZINC000757192092 643365192 /nfs/dbraw/zinc/36/51/92/643365192.db2.gz UJOHSQXEBWMCNN-UHFFFAOYSA-N 1 0 249.663 3.105 10 0 BGAERO [NH3+]CC1(c2ccc(F)c(Cl)c2)CC(F)(F)C1 ZINC000757192619 643366611 /nfs/dbraw/zinc/36/66/11/643366611.db2.gz XNRKOFBCSTXCGT-UHFFFAOYSA-N 1 0 249.663 3.105 10 0 BGAERO C[C@@H]1CC(c2cccc3cc[nH]c32)C[C@@H](C)[NH2+]1 ZINC000757207179 586437722 /nfs/dbraw/zinc/43/77/22/586437722.db2.gz BENABWURNDFGFL-GHMZBOCLSA-N 1 0 228.339 3.412 10 0 BGAERO C[C@@H]1C[C@@H](c2cccc3cc[nH]c32)C[C@H](C)[NH2+]1 ZINC000757207191 586438097 /nfs/dbraw/zinc/43/80/97/586438097.db2.gz BENABWURNDFGFL-PTEHBNRSSA-N 1 0 228.339 3.412 10 0 BGAERO C[C@H]1CC(c2cccc3cc[nH]c32)C[C@H](C)[NH2+]1 ZINC000757207197 586437749 /nfs/dbraw/zinc/43/77/49/586437749.db2.gz BENABWURNDFGFL-QWRGUYRKSA-N 1 0 228.339 3.412 10 0 BGAERO CCCc1cncc(SCC[NH2+]C(C)C)c1 ZINC000757207434 586437774 /nfs/dbraw/zinc/43/77/74/586437774.db2.gz DDWFLWDHPGDNPI-UHFFFAOYSA-N 1 0 238.400 3.124 10 0 BGAERO CCC(C)(C)C1CCC2(CCO[C@@H]2C[NH3+])CC1 ZINC000757207799 586437826 /nfs/dbraw/zinc/43/78/26/586437826.db2.gz DZWXUSAUNXMLIW-JVWICGRDSA-N 1 0 239.403 3.347 10 0 BGAERO CCC(C)(C)C1CCC2(CCO[C@H]2C[NH3+])CC1 ZINC000757207813 586437957 /nfs/dbraw/zinc/43/79/57/586437957.db2.gz DZWXUSAUNXMLIW-OWYJLGKBSA-N 1 0 239.403 3.347 10 0 BGAERO CC(=O)c1cccc([C@@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000757208758 582560084 /nfs/dbraw/zinc/56/00/84/582560084.db2.gz AUZHIYSRQULYMP-HZMBPMFUSA-N 1 0 217.312 3.092 10 0 BGAERO CC(=O)c1cccc([C@H]2CCC[C@H](C)[NH2+]2)c1 ZINC000757208761 582559828 /nfs/dbraw/zinc/55/98/28/582559828.db2.gz AUZHIYSRQULYMP-IINYFYTJSA-N 1 0 217.312 3.092 10 0 BGAERO CC(=O)c1cccc([C@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000757208764 582560316 /nfs/dbraw/zinc/56/03/16/582560316.db2.gz AUZHIYSRQULYMP-QMTHXVAHSA-N 1 0 217.312 3.092 10 0 BGAERO CC(=O)c1cccc([C@@H]2CCC[C@@H](C)[NH2+]2)c1 ZINC000757208768 586437868 /nfs/dbraw/zinc/43/78/68/586437868.db2.gz AUZHIYSRQULYMP-YGRLFVJLSA-N 1 0 217.312 3.092 10 0 BGAERO CC(C)c1cncc(SCC[C@H](C)[NH3+])c1 ZINC000757208849 586436709 /nfs/dbraw/zinc/43/67/09/586436709.db2.gz DZPPUGDBWVPXDP-JTQLQIEISA-N 1 0 224.373 3.034 10 0 BGAERO CC(C)c1cncc(SCC[C@@H](C)[NH3+])c1 ZINC000757208856 586437658 /nfs/dbraw/zinc/43/76/58/586437658.db2.gz DZPPUGDBWVPXDP-SNVBAGLBSA-N 1 0 224.373 3.034 10 0 BGAERO CC(=O)c1ccc(C2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000757208874 582559631 /nfs/dbraw/zinc/55/96/31/582559631.db2.gz BMUBFTOYQIOQCB-GHMZBOCLSA-N 1 0 231.339 3.133 10 0 BGAERO CC(=O)c1ccc([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000757208876 582559779 /nfs/dbraw/zinc/55/97/79/582559779.db2.gz BMUBFTOYQIOQCB-QHBPRCKVSA-N 1 0 231.339 3.133 10 0 BGAERO CC(=O)c1ccc(C2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000757208889 582559640 /nfs/dbraw/zinc/55/96/40/582559640.db2.gz BMUBFTOYQIOQCB-QWRGUYRKSA-N 1 0 231.339 3.133 10 0 BGAERO CC(=O)c1cccc([C@@H]2C[C@H](C)C[C@@H](C)[NH2+]2)c1 ZINC000757209031 582559714 /nfs/dbraw/zinc/55/97/14/582559714.db2.gz BRXSBKCKQVYLNK-HFAKWTLXSA-N 1 0 231.339 3.338 10 0 BGAERO CC(=O)c1cccc([C@@H]2C[C@@H](C)C[C@H](C)[NH2+]2)c1 ZINC000757209036 582560242 /nfs/dbraw/zinc/56/02/42/582560242.db2.gz BRXSBKCKQVYLNK-PGUXBMHVSA-N 1 0 231.339 3.338 10 0 BGAERO CC(=O)c1cccc([C@@H]2C[C@@H](C)C[C@@H](C)[NH2+]2)c1 ZINC000757209039 582559964 /nfs/dbraw/zinc/55/99/64/582559964.db2.gz BRXSBKCKQVYLNK-RWSFTLGLSA-N 1 0 231.339 3.338 10 0 BGAERO CC(=O)c1cccc([C@@H]2C[C@H](C)C[C@H](C)[NH2+]2)c1 ZINC000757209061 586437893 /nfs/dbraw/zinc/43/78/93/586437893.db2.gz BRXSBKCKQVYLNK-ZETOZRRWSA-N 1 0 231.339 3.338 10 0 BGAERO CC(C)[NH2+]CCSc1cncc(C2CC2)c1 ZINC000757209108 586438505 /nfs/dbraw/zinc/43/85/05/586438505.db2.gz FXIWIGOSZMVNQD-UHFFFAOYSA-N 1 0 236.384 3.049 10 0 BGAERO [NH3+]C[C@H]1OCCC12CCC(c1ccccc1)CC2 ZINC000757209389 586438524 /nfs/dbraw/zinc/43/85/24/586438524.db2.gz IUAVTRCHRAMJAM-HWOWSKLDSA-N 1 0 245.366 3.078 10 0 BGAERO [NH3+]C[C@@H]1OCCC12CCC(c1ccccc1)CC2 ZINC000757209392 586438496 /nfs/dbraw/zinc/43/84/96/586438496.db2.gz IUAVTRCHRAMJAM-PCKAHOCUSA-N 1 0 245.366 3.078 10 0 BGAERO C[C@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757210704 586438494 /nfs/dbraw/zinc/43/84/94/586438494.db2.gz GZERDEGHPNJTKM-GWCFXTLKSA-N 1 0 214.312 3.229 10 0 BGAERO C[C@H]1CC[NH2+][C@@H](c2cccc3cc[nH]c32)C1 ZINC000757210711 586438477 /nfs/dbraw/zinc/43/84/77/586438477.db2.gz GZERDEGHPNJTKM-GXFFZTMASA-N 1 0 214.312 3.229 10 0 BGAERO C[C@@H]1CC[NH2+][C@H](c2cccc3cc[nH]c32)C1 ZINC000757210713 586438576 /nfs/dbraw/zinc/43/85/76/586438576.db2.gz GZERDEGHPNJTKM-MFKMUULPSA-N 1 0 214.312 3.229 10 0 BGAERO C[C@@H]1CC[NH2+][C@@H](c2cccc3cc[nH]c32)C1 ZINC000757210714 586438503 /nfs/dbraw/zinc/43/85/03/586438503.db2.gz GZERDEGHPNJTKM-ZWNOBZJWSA-N 1 0 214.312 3.229 10 0 BGAERO C[C@@H]1C[NH2+][C@@H](c2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000757210846 586438920 /nfs/dbraw/zinc/43/89/20/586438920.db2.gz HLNLQTCXJGBMFB-COPLHBTASA-N 1 0 228.339 3.475 10 0 BGAERO C[C@@H]1C[C@H](C)C[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757210850 586439119 /nfs/dbraw/zinc/43/91/19/586439119.db2.gz HLNLQTCXJGBMFB-MISXGVKJSA-N 1 0 228.339 3.475 10 0 BGAERO C[C@@H]1C[NH2+][C@H](c2cccc3cc[nH]c32)[C@@H](C)C1 ZINC000757210854 586439060 /nfs/dbraw/zinc/43/90/60/586439060.db2.gz HLNLQTCXJGBMFB-MJVIPROJSA-N 1 0 228.339 3.475 10 0 BGAERO C[C@@H]1C[C@H](C)C[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757210866 586438515 /nfs/dbraw/zinc/43/85/15/586438515.db2.gz HLNLQTCXJGBMFB-WDMOLILDSA-N 1 0 228.339 3.475 10 0 BGAERO C[C@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757210901 586438953 /nfs/dbraw/zinc/43/89/53/586438953.db2.gz HOHMEWYGLIFISV-GWCFXTLKSA-N 1 0 214.312 3.229 10 0 BGAERO C[C@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757210904 586438739 /nfs/dbraw/zinc/43/87/39/586438739.db2.gz HOHMEWYGLIFISV-GXFFZTMASA-N 1 0 214.312 3.229 10 0 BGAERO CC(C)c1cncc(SCC[NH2+]C2CC2)c1 ZINC000757211142 586438755 /nfs/dbraw/zinc/43/87/55/586438755.db2.gz JXPXAYPGNLCIFN-UHFFFAOYSA-N 1 0 236.384 3.049 10 0 BGAERO C[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757211435 643370960 /nfs/dbraw/zinc/37/09/60/643370960.db2.gz HOHMEWYGLIFISV-MFKMUULPSA-N 1 0 214.312 3.229 10 0 BGAERO C[C@@H]1CC[C@H](c2cccc3cc[nH]c32)[NH2+]C1 ZINC000757211472 643369429 /nfs/dbraw/zinc/36/94/29/643369429.db2.gz HOHMEWYGLIFISV-ZWNOBZJWSA-N 1 0 214.312 3.229 10 0 BGAERO [NH3+]Cc1ccc([C@@H]2CCNc3ccccc32)cc1 ZINC000757211659 586438731 /nfs/dbraw/zinc/43/87/31/586438731.db2.gz ICAOHCAZGDFYDN-AWEZNQCLSA-N 1 0 238.334 3.093 10 0 BGAERO [NH3+]Cc1ccc([C@H]2CCNc3ccccc32)cc1 ZINC000757211682 586438843 /nfs/dbraw/zinc/43/88/43/586438843.db2.gz ICAOHCAZGDFYDN-CQSZACIVSA-N 1 0 238.334 3.093 10 0 BGAERO [NH3+]Cc1cccc([C@@H]2CCNc3ccccc32)c1 ZINC000757211701 586439140 /nfs/dbraw/zinc/43/91/40/586439140.db2.gz INJSFQSMSQCIHI-AWEZNQCLSA-N 1 0 238.334 3.093 10 0 BGAERO [NH3+]Cc1cccc([C@H]2CCNc3ccccc32)c1 ZINC000757211702 586438999 /nfs/dbraw/zinc/43/89/99/586438999.db2.gz INJSFQSMSQCIHI-CQSZACIVSA-N 1 0 238.334 3.093 10 0 BGAERO C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757211966 586438738 /nfs/dbraw/zinc/43/87/38/586438738.db2.gz JMWKRQZFBXWGAB-DOMZBBRYSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@@H]1C[NH2+]CC[C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757212603 586439231 /nfs/dbraw/zinc/43/92/31/586439231.db2.gz JMWKRQZFBXWGAB-IUODEOHRSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@H]1C[NH2+]CC[C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757212606 586439600 /nfs/dbraw/zinc/43/96/00/586439600.db2.gz JMWKRQZFBXWGAB-SWLSCSKDSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@H]1C[NH2+]CC[C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757212619 586439601 /nfs/dbraw/zinc/43/96/01/586439601.db2.gz JMWKRQZFBXWGAB-WFASDCNBSA-N 1 0 229.367 3.451 10 0 BGAERO CC(=O)c1ccc([C@@H]2C[C@@H](C)C[C@@H](C)[NH2+]2)cc1 ZINC000757214069 644864406 /nfs/dbraw/zinc/86/44/06/644864406.db2.gz LCEAYRCFFBKBED-RWSFTLGLSA-N 1 0 231.339 3.338 10 0 BGAERO C[C@@H]1[NH2+]CCC[C@H]1c1cccc2cc[nH]c21 ZINC000757214072 582560853 /nfs/dbraw/zinc/56/08/53/582560853.db2.gz MGKSAIUGQFDVEZ-CMPLNLGQSA-N 1 0 214.312 3.023 10 0 BGAERO C[C@@H]1[NH2+]CCC[C@@H]1c1cccc2cc[nH]c21 ZINC000757214074 586440485 /nfs/dbraw/zinc/44/04/85/586440485.db2.gz MGKSAIUGQFDVEZ-JQWIXIFHSA-N 1 0 214.312 3.023 10 0 BGAERO CC(=O)c1ccc([C@@H]2C[C@H](C)C[C@H](C)[NH2+]2)cc1 ZINC000757214078 586440288 /nfs/dbraw/zinc/44/02/88/586440288.db2.gz LCEAYRCFFBKBED-ZETOZRRWSA-N 1 0 231.339 3.338 10 0 BGAERO CC(=O)c1ccc([C@@H]2[NH2+]C[C@@H](C)C[C@H]2C)cc1 ZINC000757214116 582560606 /nfs/dbraw/zinc/56/06/06/582560606.db2.gz LHFJJEHRLPKGDD-FIXISWKDSA-N 1 0 231.339 3.196 10 0 BGAERO CC(=O)c1ccc([C@@H]2[NH2+]C[C@H](C)C[C@@H]2C)cc1 ZINC000757214120 586440247 /nfs/dbraw/zinc/44/02/47/586440247.db2.gz LHFJJEHRLPKGDD-JRPNMDOOSA-N 1 0 231.339 3.196 10 0 BGAERO CC(=O)c1ccc([C@@H]2[NH2+]C[C@H](C)C[C@H]2C)cc1 ZINC000757214121 586440200 /nfs/dbraw/zinc/44/02/00/586440200.db2.gz LHFJJEHRLPKGDD-UEKVPHQBSA-N 1 0 231.339 3.196 10 0 BGAERO CC(=O)c1ccc([C@@H]2[NH2+]C[C@@H](C)C[C@@H]2C)cc1 ZINC000757214125 586440324 /nfs/dbraw/zinc/44/03/24/586440324.db2.gz LHFJJEHRLPKGDD-ZIBATOQPSA-N 1 0 231.339 3.196 10 0 BGAERO CC(=O)c1cccc(C2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000757214129 586440259 /nfs/dbraw/zinc/44/02/59/586440259.db2.gz LJRWIEVCOXACOF-GHMZBOCLSA-N 1 0 231.339 3.133 10 0 BGAERO CC(=O)c1cccc([C@@H]2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000757214131 586440355 /nfs/dbraw/zinc/44/03/55/586440355.db2.gz LJRWIEVCOXACOF-QHBPRCKVSA-N 1 0 231.339 3.133 10 0 BGAERO CC(=O)c1cccc(C2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000757214134 586440407 /nfs/dbraw/zinc/44/04/07/586440407.db2.gz LJRWIEVCOXACOF-QWRGUYRKSA-N 1 0 231.339 3.133 10 0 BGAERO C[C@H]1[NH2+]CCC[C@@H]1c1cccc2cc[nH]c21 ZINC000757214455 582561146 /nfs/dbraw/zinc/56/11/46/582561146.db2.gz MGKSAIUGQFDVEZ-PWSUYJOCSA-N 1 0 214.312 3.023 10 0 BGAERO C[C@@H]1C[C@H](c2cccc3cc[nH]c32)CC[NH2+]1 ZINC000757214514 586440186 /nfs/dbraw/zinc/44/01/86/586440186.db2.gz MKVIZTSKRRASED-ZYHUDNBSSA-N 1 0 214.312 3.023 10 0 BGAERO Cc1nn(C)c2sc([C@H]3CC[C@H](C)C[NH2+]3)cc12 ZINC000757215041 586440238 /nfs/dbraw/zinc/44/02/38/586440238.db2.gz NBSCOZVFCPQSEC-GZMMTYOYSA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@@H]3CC[C@@H](C)C[NH2+]3)cc12 ZINC000757215045 586440104 /nfs/dbraw/zinc/44/01/04/586440104.db2.gz NBSCOZVFCPQSEC-KCJUWKMLSA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@@H]3CC[C@H](C)C[NH2+]3)cc12 ZINC000757215048 586440144 /nfs/dbraw/zinc/44/01/44/586440144.db2.gz NBSCOZVFCPQSEC-KWQFWETISA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@H]3CC[C@@H](C)C[NH2+]3)cc12 ZINC000757215059 586440170 /nfs/dbraw/zinc/44/01/70/586440170.db2.gz NBSCOZVFCPQSEC-LDYMZIIASA-N 1 0 249.383 3.004 10 0 BGAERO CC(C)[NH2+]CCSc1cncc(C(C)C)c1 ZINC000757215176 586440488 /nfs/dbraw/zinc/44/04/88/586440488.db2.gz VGNYCJJVIUZQNY-UHFFFAOYSA-N 1 0 238.400 3.295 10 0 BGAERO CC(C)Cc1cncc(SCC[C@@H](C)[NH3+])c1 ZINC000757215492 586440775 /nfs/dbraw/zinc/44/07/75/586440775.db2.gz VLEGXZVVNNHOPH-LLVKDONJSA-N 1 0 238.400 3.110 10 0 BGAERO CC(C)Cc1cncc(SCC[C@H](C)[NH3+])c1 ZINC000757215493 586440730 /nfs/dbraw/zinc/44/07/30/586440730.db2.gz VLEGXZVVNNHOPH-NSHDSACASA-N 1 0 238.400 3.110 10 0 BGAERO C[C@H]1CCC[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757215901 586440846 /nfs/dbraw/zinc/44/08/46/586440846.db2.gz OJFTVAHDRPJSEX-GWCFXTLKSA-N 1 0 214.312 3.371 10 0 BGAERO C[C@H]1CCC[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757215902 586440595 /nfs/dbraw/zinc/44/05/95/586440595.db2.gz OJFTVAHDRPJSEX-GXFFZTMASA-N 1 0 214.312 3.371 10 0 BGAERO C[C@@H]1CCC[C@@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757215906 586440686 /nfs/dbraw/zinc/44/06/86/586440686.db2.gz OJFTVAHDRPJSEX-MFKMUULPSA-N 1 0 214.312 3.371 10 0 BGAERO C[C@@H]1CCC[C@H](c2cccc3cc[nH]c32)[NH2+]1 ZINC000757215907 586440785 /nfs/dbraw/zinc/44/07/85/586440785.db2.gz OJFTVAHDRPJSEX-ZWNOBZJWSA-N 1 0 214.312 3.371 10 0 BGAERO CC(=O)c1ccc([C@@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000757215957 586440527 /nfs/dbraw/zinc/44/05/27/586440527.db2.gz ODNJDBQFBPHUNW-HZMBPMFUSA-N 1 0 217.312 3.092 10 0 BGAERO CC(=O)c1ccc([C@H]2CCC[C@H](C)[NH2+]2)cc1 ZINC000757215961 586440722 /nfs/dbraw/zinc/44/07/22/586440722.db2.gz ODNJDBQFBPHUNW-IINYFYTJSA-N 1 0 217.312 3.092 10 0 BGAERO CC(=O)c1ccc([C@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000757215967 586440558 /nfs/dbraw/zinc/44/05/58/586440558.db2.gz ODNJDBQFBPHUNW-QMTHXVAHSA-N 1 0 217.312 3.092 10 0 BGAERO CC(=O)c1ccc([C@@H]2CCC[C@@H](C)[NH2+]2)cc1 ZINC000757215975 586440628 /nfs/dbraw/zinc/44/06/28/586440628.db2.gz ODNJDBQFBPHUNW-YGRLFVJLSA-N 1 0 217.312 3.092 10 0 BGAERO CCCCc1cncc(SCC[C@@H](C)[NH3+])c1 ZINC000757216115 586440815 /nfs/dbraw/zinc/44/08/15/586440815.db2.gz XUPUVCOQKXFPPP-LLVKDONJSA-N 1 0 238.400 3.254 10 0 BGAERO CCCCc1cncc(SCC[C@H](C)[NH3+])c1 ZINC000757216121 586440642 /nfs/dbraw/zinc/44/06/42/586440642.db2.gz XUPUVCOQKXFPPP-NSHDSACASA-N 1 0 238.400 3.254 10 0 BGAERO Cc1nn(C)c2sc([C@H]3CCC[C@H](C)[NH2+]3)cc12 ZINC000757216680 586441109 /nfs/dbraw/zinc/44/11/09/586441109.db2.gz QNXNVURVMHLAFZ-GZMMTYOYSA-N 1 0 249.383 3.146 10 0 BGAERO Cc1nn(C)c2sc([C@@H]3CCC[C@@H](C)[NH2+]3)cc12 ZINC000757216682 586441093 /nfs/dbraw/zinc/44/10/93/586441093.db2.gz QNXNVURVMHLAFZ-KCJUWKMLSA-N 1 0 249.383 3.146 10 0 BGAERO Cc1nn(C)c2sc([C@@H]3CCC[C@H](C)[NH2+]3)cc12 ZINC000757216690 586441357 /nfs/dbraw/zinc/44/13/57/586441357.db2.gz QNXNVURVMHLAFZ-KWQFWETISA-N 1 0 249.383 3.146 10 0 BGAERO Cc1nn(C)c2sc([C@H]3CCC[C@@H](C)[NH2+]3)cc12 ZINC000757216693 586441055 /nfs/dbraw/zinc/44/10/55/586441055.db2.gz QNXNVURVMHLAFZ-LDYMZIIASA-N 1 0 249.383 3.146 10 0 BGAERO Cc1nn(C)c2sc([C@H]3[NH2+]CCC[C@H]3C)cc12 ZINC000757216781 586441091 /nfs/dbraw/zinc/44/10/91/586441091.db2.gz QOZOAZPKFXRIIY-PELKAZGASA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@@H]3[NH2+]CCC[C@H]3C)cc12 ZINC000757216788 582561860 /nfs/dbraw/zinc/56/18/60/582561860.db2.gz QOZOAZPKFXRIIY-PRHODGIISA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@@H]3[NH2+]CCC[C@@H]3C)cc12 ZINC000757216790 586441214 /nfs/dbraw/zinc/44/12/14/586441214.db2.gz QOZOAZPKFXRIIY-QPUJVOFHSA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@H]3[NH2+]CCC[C@@H]3C)cc12 ZINC000757216792 586441113 /nfs/dbraw/zinc/44/11/13/586441113.db2.gz QOZOAZPKFXRIIY-UFBFGSQYSA-N 1 0 249.383 3.004 10 0 BGAERO C[C@H]1CCC[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757217078 586441095 /nfs/dbraw/zinc/44/10/95/586441095.db2.gz RHMSOADNQIOOPG-GWCFXTLKSA-N 1 0 214.312 3.229 10 0 BGAERO C[C@H]1CCC[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757217080 586441094 /nfs/dbraw/zinc/44/10/94/586441094.db2.gz RHMSOADNQIOOPG-GXFFZTMASA-N 1 0 214.312 3.229 10 0 BGAERO C[C@@H]1CCC[NH2+][C@@H]1c1cccc2cc[nH]c21 ZINC000757217083 586441064 /nfs/dbraw/zinc/44/10/64/586441064.db2.gz RHMSOADNQIOOPG-MFKMUULPSA-N 1 0 214.312 3.229 10 0 BGAERO C[C@@H]1CCC[NH2+][C@H]1c1cccc2cc[nH]c21 ZINC000757217086 586441171 /nfs/dbraw/zinc/44/11/71/586441171.db2.gz RHMSOADNQIOOPG-ZWNOBZJWSA-N 1 0 214.312 3.229 10 0 BGAERO Cc1nn(C)c2sc([C@H]3C[C@@H](C)CC[NH2+]3)cc12 ZINC000757217237 586441821 /nfs/dbraw/zinc/44/18/21/586441821.db2.gz RQRGFYCJKDRFLB-GZMMTYOYSA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@@H]3C[C@H](C)CC[NH2+]3)cc12 ZINC000757217242 586441558 /nfs/dbraw/zinc/44/15/58/586441558.db2.gz RQRGFYCJKDRFLB-KCJUWKMLSA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@@H]3C[C@@H](C)CC[NH2+]3)cc12 ZINC000757217250 586441832 /nfs/dbraw/zinc/44/18/32/586441832.db2.gz RQRGFYCJKDRFLB-KWQFWETISA-N 1 0 249.383 3.004 10 0 BGAERO Cc1nn(C)c2sc([C@H]3C[C@H](C)CC[NH2+]3)cc12 ZINC000757217267 586441755 /nfs/dbraw/zinc/44/17/55/586441755.db2.gz RQRGFYCJKDRFLB-LDYMZIIASA-N 1 0 249.383 3.004 10 0 BGAERO CC1(c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000757217754 586441766 /nfs/dbraw/zinc/44/17/66/586441766.db2.gz SFBLYQSPGFUJAV-CYBMUJFWSA-N 1 0 215.340 3.205 10 0 BGAERO CC1(c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000757217758 586441944 /nfs/dbraw/zinc/44/19/44/586441944.db2.gz SFBLYQSPGFUJAV-ZDUSSCGKSA-N 1 0 215.340 3.205 10 0 BGAERO CC(=O)c1cccc([C@@H]2[NH2+]C[C@@H](C)C[C@H]2C)c1 ZINC000757217999 582562337 /nfs/dbraw/zinc/56/23/37/582562337.db2.gz UIAQWZRZSHSDAZ-FIXISWKDSA-N 1 0 231.339 3.196 10 0 BGAERO CC(=O)c1cccc([C@@H]2[NH2+]C[C@H](C)C[C@@H]2C)c1 ZINC000757218000 582562317 /nfs/dbraw/zinc/56/23/17/582562317.db2.gz UIAQWZRZSHSDAZ-JRPNMDOOSA-N 1 0 231.339 3.196 10 0 BGAERO CC(=O)c1cccc([C@@H]2[NH2+]C[C@H](C)C[C@H]2C)c1 ZINC000757218001 582562469 /nfs/dbraw/zinc/56/24/69/582562469.db2.gz UIAQWZRZSHSDAZ-UEKVPHQBSA-N 1 0 231.339 3.196 10 0 BGAERO CC(=O)c1cccc([C@@H]2[NH2+]C[C@@H](C)C[C@@H]2C)c1 ZINC000757218002 582562968 /nfs/dbraw/zinc/56/29/68/582562968.db2.gz UIAQWZRZSHSDAZ-ZIBATOQPSA-N 1 0 231.339 3.196 10 0 BGAERO C[C@H]1CC[C@@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757218625 582562278 /nfs/dbraw/zinc/56/22/78/582562278.db2.gz VKXQMEPVBNUWKI-CMPLNLGQSA-N 1 0 214.312 3.023 10 0 BGAERO C[C@H]1CC[C@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757218626 582562937 /nfs/dbraw/zinc/56/29/37/582562937.db2.gz VKXQMEPVBNUWKI-JQWIXIFHSA-N 1 0 214.312 3.023 10 0 BGAERO C[C@@H]1CC[C@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757218627 582562505 /nfs/dbraw/zinc/56/25/05/582562505.db2.gz VKXQMEPVBNUWKI-PWSUYJOCSA-N 1 0 214.312 3.023 10 0 BGAERO C[C@@H]1CC[C@@H](c2cccc3cc[nH]c32)C[NH2+]1 ZINC000757218628 582562757 /nfs/dbraw/zinc/56/27/57/582562757.db2.gz VKXQMEPVBNUWKI-ZYHUDNBSSA-N 1 0 214.312 3.023 10 0 BGAERO C[C@@H]1C[C@@H](C)[NH2+][C@@H](c2ccc(C=O)s2)C1 ZINC000757218668 582563798 /nfs/dbraw/zinc/56/37/98/582563798.db2.gz VTGYOMMNCRYZPV-FXPVBKGRSA-N 1 0 223.341 3.010 10 0 BGAERO C[C@@H]1C[C@@H](C)[NH2+][C@H](c2ccc(C=O)s2)C1 ZINC000757218676 582563500 /nfs/dbraw/zinc/56/35/00/582563500.db2.gz VTGYOMMNCRYZPV-KKZNHRDASA-N 1 0 223.341 3.010 10 0 BGAERO C[C@H]1C[C@H](c2ccc(C=O)s2)[NH2+][C@@H](C)C1 ZINC000757218682 582563680 /nfs/dbraw/zinc/56/36/80/582563680.db2.gz VTGYOMMNCRYZPV-WCABBAIRSA-N 1 0 223.341 3.010 10 0 BGAERO C[C@@H]1C[C@H](C)[NH2+][C@H](c2ccc(C=O)s2)C1 ZINC000757218686 582563251 /nfs/dbraw/zinc/56/32/51/582563251.db2.gz VTGYOMMNCRYZPV-YWVKMMECSA-N 1 0 223.341 3.010 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757219481 582563933 /nfs/dbraw/zinc/56/39/33/582563933.db2.gz XDTMXCVLUANBCT-GXTWGEPZSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757219486 582563329 /nfs/dbraw/zinc/56/33/29/582563329.db2.gz XDTMXCVLUANBCT-JSGCOSHPSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757219491 582563619 /nfs/dbraw/zinc/56/36/19/582563619.db2.gz XDTMXCVLUANBCT-OCCSQVGLSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@H]1C[NH2+]C[C@H](c2ccc(C3(C)CC3)cc2)C1 ZINC000757219494 582563488 /nfs/dbraw/zinc/56/34/88/582563488.db2.gz XDTMXCVLUANBCT-TZMCWYRMSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@@H]1CC[NH2+]C[C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219588 582563592 /nfs/dbraw/zinc/56/35/92/582563592.db2.gz XOFKLANSRHMFAB-DOMZBBRYSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@@H]1CC[NH2+]C[C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219590 582563670 /nfs/dbraw/zinc/56/36/70/582563670.db2.gz XOFKLANSRHMFAB-IUODEOHRSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@H]1CC[NH2+]C[C@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219593 582563588 /nfs/dbraw/zinc/56/35/88/582563588.db2.gz XOFKLANSRHMFAB-SWLSCSKDSA-N 1 0 229.367 3.451 10 0 BGAERO C[C@H]1CC[NH2+]C[C@@H]1c1ccc(C2(C)CC2)cc1 ZINC000757219625 582563155 /nfs/dbraw/zinc/56/31/55/582563155.db2.gz XOFKLANSRHMFAB-WFASDCNBSA-N 1 0 229.367 3.451 10 0 BGAERO CC1(c2ccc(C3CC[NH2+]CC3)cc2)CC1 ZINC000757220292 582562476 /nfs/dbraw/zinc/56/24/76/582562476.db2.gz YBULWCGXLFIDPG-UHFFFAOYSA-N 1 0 215.340 3.205 10 0 BGAERO FC(F)c1cscc1[C@@H]1CCC[NH2+]C1 ZINC000757234695 582563869 /nfs/dbraw/zinc/56/38/69/582563869.db2.gz LHOQQNVUCHXVTE-SSDOTTSWSA-N 1 0 217.284 3.153 10 0 BGAERO FC(F)c1cscc1[C@H]1CCC[NH2+]C1 ZINC000757234696 582563892 /nfs/dbraw/zinc/56/38/92/582563892.db2.gz LHOQQNVUCHXVTE-ZETCQYMHSA-N 1 0 217.284 3.153 10 0 BGAERO Cc1ccc(N)cc1[C@@H]1C[C@@H](C)C[C@H](C)[NH2+]1 ZINC000757236300 586443859 /nfs/dbraw/zinc/44/38/59/586443859.db2.gz OBBDNABRGXYNER-CHIMOYNISA-N 1 0 218.344 3.026 10 0 BGAERO Cc1ccc(N)cc1[C@@H]1C[C@H](C)C[C@H](C)[NH2+]1 ZINC000757236304 586443547 /nfs/dbraw/zinc/44/35/47/586443547.db2.gz OBBDNABRGXYNER-PUYPPJJSSA-N 1 0 218.344 3.026 10 0 BGAERO Cc1ccc(N)cc1[C@@H]1C[C@@H](C)C[C@@H](C)[NH2+]1 ZINC000757236309 586443885 /nfs/dbraw/zinc/44/38/85/586443885.db2.gz OBBDNABRGXYNER-PXWWUCIGSA-N 1 0 218.344 3.026 10 0 BGAERO Cc1ccc(N)cc1[C@@H]1C[C@H](C)C[C@@H](C)[NH2+]1 ZINC000757236311 586443763 /nfs/dbraw/zinc/44/37/63/586443763.db2.gz OBBDNABRGXYNER-UDZFHETQSA-N 1 0 218.344 3.026 10 0 BGAERO C[C@@H]1CC[NH2+]C[C@H]1c1cscc1C(F)F ZINC000757236369 643373373 /nfs/dbraw/zinc/37/33/73/643373373.db2.gz OKOXSUQZDJOUDD-HTQZYQBOSA-N 1 0 231.311 3.399 10 0 BGAERO C[C@H]1CC[NH2+]C[C@H]1c1cscc1C(F)F ZINC000757236370 643373236 /nfs/dbraw/zinc/37/32/36/643373236.db2.gz OKOXSUQZDJOUDD-JGVFFNPUSA-N 1 0 231.311 3.399 10 0 BGAERO C[C@@H]1CC[NH2+]C[C@@H]1c1cscc1C(F)F ZINC000757236373 643372799 /nfs/dbraw/zinc/37/27/99/643372799.db2.gz OKOXSUQZDJOUDD-SFYZADRCSA-N 1 0 231.311 3.399 10 0 BGAERO C[C@H]1CC[NH2+]C[C@@H]1c1cscc1C(F)F ZINC000757236376 643374094 /nfs/dbraw/zinc/37/40/94/643374094.db2.gz OKOXSUQZDJOUDD-YUMQZZPRSA-N 1 0 231.311 3.399 10 0 BGAERO C[C@H]1C[NH2+]C[C@H](c2cscc2C(F)F)C1 ZINC000757239331 586444229 /nfs/dbraw/zinc/44/42/29/586444229.db2.gz TZCQRBVVJULTIH-HTQZYQBOSA-N 1 0 231.311 3.399 10 0 BGAERO C[C@@H]1C[NH2+]C[C@H](c2cscc2C(F)F)C1 ZINC000757239336 586444139 /nfs/dbraw/zinc/44/41/39/586444139.db2.gz TZCQRBVVJULTIH-JGVFFNPUSA-N 1 0 231.311 3.399 10 0 BGAERO C[C@H]1C[NH2+]C[C@@H](c2cscc2C(F)F)C1 ZINC000757239357 586444438 /nfs/dbraw/zinc/44/44/38/586444438.db2.gz TZCQRBVVJULTIH-SFYZADRCSA-N 1 0 231.311 3.399 10 0 BGAERO C[C@@H]1C[NH2+]C[C@@H](c2cscc2C(F)F)C1 ZINC000757239361 586444463 /nfs/dbraw/zinc/44/44/63/586444463.db2.gz TZCQRBVVJULTIH-YUMQZZPRSA-N 1 0 231.311 3.399 10 0 BGAERO COc1cccc(C2=CCC[N@@H+](C(C)C)C2)c1F ZINC000757564742 586461121 /nfs/dbraw/zinc/46/11/21/586461121.db2.gz CKMATXMPSQSELB-UHFFFAOYSA-N 1 0 249.329 3.332 10 0 BGAERO Cc1ccc(C2=CCCCC2)cc1CC[NH3+] ZINC000757565021 586461054 /nfs/dbraw/zinc/46/10/54/586461054.db2.gz GBSDDFHXTGIBPU-UHFFFAOYSA-N 1 0 215.340 3.454 10 0 BGAERO CCOc1cccc(C2=CCC[N@H+](CC)C2)c1F ZINC000757565700 586461755 /nfs/dbraw/zinc/46/17/55/586461755.db2.gz HSMMUIICEYDLGE-UHFFFAOYSA-N 1 0 249.329 3.333 10 0 BGAERO CCOc1cccc([C@@H]2CCC[N@H+](C)C2)c1F ZINC000757566333 586461835 /nfs/dbraw/zinc/46/18/35/586461835.db2.gz LVRPKUKWGUKYLB-LLVKDONJSA-N 1 0 237.318 3.034 10 0 BGAERO CCOc1cccc([C@H]2CCC[N@H+](C)C2)c1F ZINC000757566349 586461793 /nfs/dbraw/zinc/46/17/93/586461793.db2.gz LVRPKUKWGUKYLB-NSHDSACASA-N 1 0 237.318 3.034 10 0 BGAERO Cc1cc2c[nH]nc2cc1C1=CC[C@](C)([NH3+])CC1 ZINC000757567601 586462104 /nfs/dbraw/zinc/46/21/04/586462104.db2.gz PFGMACCPTISHSH-HNNXBMFYSA-N 1 0 241.338 3.156 10 0 BGAERO Cc1cc2c[nH]nc2cc1C1=CC[C@@](C)([NH3+])CC1 ZINC000757567607 586462092 /nfs/dbraw/zinc/46/20/92/586462092.db2.gz PFGMACCPTISHSH-OAHLLOKOSA-N 1 0 241.338 3.156 10 0 BGAERO Cc1ccc2n[nH]cc2c1C1=CC[C@](C)([NH3+])CC1 ZINC000757567617 586462041 /nfs/dbraw/zinc/46/20/41/586462041.db2.gz PNYWLJNHDYIEJC-HNNXBMFYSA-N 1 0 241.338 3.156 10 0 BGAERO Cc1ccc2n[nH]cc2c1C1=CC[C@@](C)([NH3+])CC1 ZINC000757567624 586462214 /nfs/dbraw/zinc/46/22/14/586462214.db2.gz PNYWLJNHDYIEJC-OAHLLOKOSA-N 1 0 241.338 3.156 10 0 BGAERO CCC[N@@H+]1CCC=C(c2cccc(OC)c2F)C1 ZINC000757569536 586366343 /nfs/dbraw/zinc/36/63/43/586366343.db2.gz WVJATSJUEAZFOH-UHFFFAOYSA-N 1 0 249.329 3.333 10 0 BGAERO CCN(CC)c1cc[nH+]c(C2=CCCCC2)c1N ZINC000757569553 586366388 /nfs/dbraw/zinc/36/63/88/586366388.db2.gz XFGGEJRGDGFOTD-UHFFFAOYSA-N 1 0 245.370 3.467 10 0 BGAERO COc1cccc(C2=CC[C@](C)([NH3+])CC2)c1F ZINC000757569612 586462498 /nfs/dbraw/zinc/46/24/98/586462498.db2.gz YIJTYMMEJHLADC-AWEZNQCLSA-N 1 0 235.302 3.119 10 0 BGAERO COc1cccc(C2=CC[C@@](C)([NH3+])CC2)c1F ZINC000757569613 586462338 /nfs/dbraw/zinc/46/23/38/586462338.db2.gz YIJTYMMEJHLADC-CQSZACIVSA-N 1 0 235.302 3.119 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2cccc(OC)c2F)C1 ZINC000757569626 586367507 /nfs/dbraw/zinc/36/75/07/586367507.db2.gz YNIIZGPFPSTUIM-LLVKDONJSA-N 1 0 237.318 3.034 10 0 BGAERO CC[N@@H+]1CCC[C@H](c2cccc(OC)c2F)C1 ZINC000757569627 586367286 /nfs/dbraw/zinc/36/72/86/586367286.db2.gz YNIIZGPFPSTUIM-NSHDSACASA-N 1 0 237.318 3.034 10 0 BGAERO CC[N@@H+]1CCC=C(c2ccc(C)cc2F)C1 ZINC000757570364 586462521 /nfs/dbraw/zinc/46/25/21/586462521.db2.gz CVTQLORBNVUOCQ-UHFFFAOYSA-N 1 0 219.303 3.243 10 0 BGAERO Cc1ccc(-c2cccc(C[NH3+])c2)c2c1NCC2 ZINC000757570966 586462552 /nfs/dbraw/zinc/46/25/52/586462552.db2.gz GKTRGSUOEMSWBL-UHFFFAOYSA-N 1 0 238.334 3.089 10 0 BGAERO C[C@]1([NH3+])CC=C(c2cccc3cc[nH]c32)CC1 ZINC000757571025 586462699 /nfs/dbraw/zinc/46/26/99/586462699.db2.gz HXRYJBPAADHYHY-HNNXBMFYSA-N 1 0 226.323 3.453 10 0 BGAERO C[C@@]1([NH3+])CC=C(c2cccc3cc[nH]c32)CC1 ZINC000757571026 586462518 /nfs/dbraw/zinc/46/25/18/586462518.db2.gz HXRYJBPAADHYHY-OAHLLOKOSA-N 1 0 226.323 3.453 10 0 BGAERO CCC[N@@H+]1CCC[C@@H](c2cccc(F)c2C=O)C1 ZINC000757571470 586462544 /nfs/dbraw/zinc/46/25/44/586462544.db2.gz KWWATKYRFMBVFZ-GFCCVEGCSA-N 1 0 249.329 3.228 10 0 BGAERO CCC[N@@H+]1CCC[C@H](c2cccc(F)c2C=O)C1 ZINC000757571475 586462601 /nfs/dbraw/zinc/46/26/01/586462601.db2.gz KWWATKYRFMBVFZ-LBPRGKRZSA-N 1 0 249.329 3.228 10 0 BGAERO CCOc1cc(F)ccc1C1=CCC[N@H+](CC)C1 ZINC000757572122 644851104 /nfs/dbraw/zinc/85/11/04/644851104.db2.gz OEYMFWXHGKBNAO-UHFFFAOYSA-N 1 0 249.329 3.333 10 0 BGAERO CCOc1cc(F)ccc1[C@@H]1CCC[N@H+](C)C1 ZINC000757572139 644850688 /nfs/dbraw/zinc/85/06/88/644850688.db2.gz OLRCZNPLRTZYJP-LLVKDONJSA-N 1 0 237.318 3.034 10 0 BGAERO CCOc1cc(F)ccc1[C@H]1CCC[N@H+](C)C1 ZINC000757572142 644850960 /nfs/dbraw/zinc/85/09/60/644850960.db2.gz OLRCZNPLRTZYJP-NSHDSACASA-N 1 0 237.318 3.034 10 0 BGAERO CCC[N@@H+]1CCC=C(c2ccc(OC)cc2F)C1 ZINC000757572199 586382196 /nfs/dbraw/zinc/38/21/96/586382196.db2.gz PEAQNDYHOXZPEX-UHFFFAOYSA-N 1 0 249.329 3.333 10 0 BGAERO CCC[N@@H+]1CCC=C(c2ccc(OC)c(F)c2)C1 ZINC000757572219 586382914 /nfs/dbraw/zinc/38/29/14/586382914.db2.gz PRHWGBOXFZZNIL-UHFFFAOYSA-N 1 0 249.329 3.333 10 0 BGAERO COc1ccc(C2=CC[C@](C)([NH3+])CC2)c(F)c1 ZINC000757572266 586463059 /nfs/dbraw/zinc/46/30/59/586463059.db2.gz PYSOJPHDXQEPQP-AWEZNQCLSA-N 1 0 235.302 3.119 10 0 BGAERO COc1ccc(C2=CC[C@@](C)([NH3+])CC2)c(F)c1 ZINC000757572268 586463127 /nfs/dbraw/zinc/46/31/27/586463127.db2.gz PYSOJPHDXQEPQP-CQSZACIVSA-N 1 0 235.302 3.119 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2ccc(C)cc2F)C1 ZINC000757572982 586382410 /nfs/dbraw/zinc/38/24/10/586382410.db2.gz WASQDNXWRVSBFL-GFCCVEGCSA-N 1 0 221.319 3.333 10 0 BGAERO CC[N@@H+]1CCC[C@H](c2ccc(C)cc2F)C1 ZINC000757572983 586382454 /nfs/dbraw/zinc/38/24/54/586382454.db2.gz WASQDNXWRVSBFL-LBPRGKRZSA-N 1 0 221.319 3.333 10 0 BGAERO COc1ccc(C2=CCC[N@@H+](C(C)C)C2)cc1F ZINC000757573647 586463056 /nfs/dbraw/zinc/46/30/56/586463056.db2.gz YBAAYMGDEPIQFL-UHFFFAOYSA-N 1 0 249.329 3.332 10 0 BGAERO CC[N@@H+]1CCC[C@@H](c2ccc(OC)cc2F)C1 ZINC000757573789 586382444 /nfs/dbraw/zinc/38/24/44/586382444.db2.gz YOYGRIMPHHGJBW-LLVKDONJSA-N 1 0 237.318 3.034 10 0 BGAERO CC[N@@H+]1CCC[C@H](c2ccc(OC)cc2F)C1 ZINC000757573792 586382744 /nfs/dbraw/zinc/38/27/44/586382744.db2.gz YOYGRIMPHHGJBW-NSHDSACASA-N 1 0 237.318 3.034 10 0 BGAERO