smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H](O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000383872000 710986573 /nfs/dbraw/zinc/98/65/73/710986573.db2.gz PXELIMDRMMRTJU-CMPLNLGQSA-N 0 3 235.327 2.130 20 10 BECDHN CC1(C)C[N@H+](Cc2ccccc2[O-])[C@@H]2COC[C@@H]21 ZINC000384780242 710997150 /nfs/dbraw/zinc/99/71/50/710997150.db2.gz BILSACKJLMJVLK-QWHCGFSZSA-N 0 3 247.338 2.249 20 10 BECDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])[C@@H]2COC[C@@H]21 ZINC000384780242 710997151 /nfs/dbraw/zinc/99/71/51/710997151.db2.gz BILSACKJLMJVLK-QWHCGFSZSA-N 0 3 247.338 2.249 20 10 BECDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@@H](C)O ZINC000386945758 711039456 /nfs/dbraw/zinc/03/94/56/711039456.db2.gz WNWXRDPQXKLVDF-LNLATYFQSA-N 0 3 241.306 2.341 20 10 BECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000388523723 711062087 /nfs/dbraw/zinc/06/20/87/711062087.db2.gz XTJUUJWRIZMWCT-DGCLKSJQSA-N 0 3 235.327 2.297 20 10 BECDHN CCC1([NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000389439290 711078442 /nfs/dbraw/zinc/07/84/42/711078442.db2.gz YHWRZKSAEMAPGR-UHFFFAOYSA-N 0 3 235.327 2.441 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])C(C)(C)O ZINC000393968029 711180123 /nfs/dbraw/zinc/18/01/23/711180123.db2.gz GUULXRILAXOEKK-DTWKUNHWSA-N 0 3 241.306 2.341 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)(C)O ZINC000393971762 711180688 /nfs/dbraw/zinc/18/06/88/711180688.db2.gz OAQGMEQHSHBUDO-KOLCDFICSA-N 0 3 235.327 2.129 20 10 BECDHN CCC1(C[NH2+]Cc2cc(F)ccc2[O-])COC1 ZINC000393959688 711180725 /nfs/dbraw/zinc/18/07/25/711180725.db2.gz BYSASWQPGHUHOC-UHFFFAOYSA-N 0 3 239.290 2.048 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CCC1(CO)CC1)CC2 ZINC000395939985 711217099 /nfs/dbraw/zinc/21/70/99/711217099.db2.gz OULPHAMSRFNYLL-GFCCVEGCSA-N 0 3 247.338 2.132 20 10 BECDHN CC1(C)C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CO1 ZINC000396516532 711223033 /nfs/dbraw/zinc/22/30/33/711223033.db2.gz FXJGXTCYZBGJIW-NSHDSACASA-N 0 3 239.290 2.188 20 10 BECDHN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000397193153 711378780 /nfs/dbraw/zinc/37/87/80/711378780.db2.gz QKMOHRZLKLKIKN-CYBMUJFWSA-N 0 3 239.290 2.048 20 10 BECDHN CO[C@@H]([C@@H](C)[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000388349234 711058106 /nfs/dbraw/zinc/05/81/06/711058106.db2.gz NSQOWSKUZDYCIE-YGRLFVJLSA-N 0 3 235.327 2.295 20 10 BECDHN CO[C@H]([C@H](C)[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000388349223 711058703 /nfs/dbraw/zinc/05/87/03/711058703.db2.gz NSQOWSKUZDYCIE-IINYFYTJSA-N 0 3 235.327 2.295 20 10 BECDHN C[C@H]([NH2+]CCN1CC=CCC1)c1ccccc1[O-] ZINC000392264676 711145356 /nfs/dbraw/zinc/14/53/56/711145356.db2.gz MDSSVECRKBKLMN-ZDUSSCGKSA-N 0 3 246.354 2.305 20 10 BECDHN COC1CC(C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000703139446 712067327 /nfs/dbraw/zinc/06/73/27/712067327.db2.gz YDUHMMGKLADTIL-UNXYVOJBSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@@H]([NH2+]C[C@](C)(O)C(F)F)c1ccccc1[O-] ZINC000705015427 712121665 /nfs/dbraw/zinc/12/16/65/712121665.db2.gz TUJSCSDMHOOEKF-PELKAZGASA-N 0 3 245.269 2.059 20 10 BECDHN CC[C@@H]([NH2+]CCOCCF)c1ccccc1[O-] ZINC000705792793 712137281 /nfs/dbraw/zinc/13/72/81/712137281.db2.gz CXUZQSOLGUDYCM-GFCCVEGCSA-N 0 3 241.306 2.419 20 10 BECDHN CC(=O)c1cc(F)cc(CN2CC[C@H]3C[C@H]32)c1O ZINC000707054672 712164260 /nfs/dbraw/zinc/16/42/60/712164260.db2.gz PAKNPALNKVDUFC-TVQRCGJNSA-N 0 3 249.285 2.328 20 10 BECDHN CC[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccccc1[O-] ZINC000707680858 712176440 /nfs/dbraw/zinc/17/64/40/712176440.db2.gz RDNQDNQMYNGAHF-LOWVWBTDSA-N 0 3 235.327 2.204 20 10 BECDHN CC(C)[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000709019188 712205845 /nfs/dbraw/zinc/20/58/45/712205845.db2.gz GXJYEBXZNFJUKE-AWEZNQCLSA-N 0 3 235.327 2.249 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCc1ccns1 ZINC000709790958 712227407 /nfs/dbraw/zinc/22/74/07/712227407.db2.gz NYVKCESPYSTKEE-UHFFFAOYSA-N 0 3 234.324 2.181 20 10 BECDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H](C)O1 ZINC000709851982 712229859 /nfs/dbraw/zinc/22/98/59/712229859.db2.gz BRVUJGRFWDRTMO-NEPJUHHUSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H](C)O1 ZINC000709851982 712229860 /nfs/dbraw/zinc/22/98/60/712229860.db2.gz BRVUJGRFWDRTMO-NEPJUHHUSA-N 0 3 235.327 2.392 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C)c([O-])c1 ZINC000712588801 712435615 /nfs/dbraw/zinc/43/56/15/712435615.db2.gz YLFXSQYQXWUZEQ-NWDGAFQWSA-N 0 3 234.343 2.055 20 10 BECDHN CCN1CC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000712612563 712437832 /nfs/dbraw/zinc/43/78/32/712437832.db2.gz BEVYCNIWNTVDAQ-CHWSQXEVSA-N 0 3 246.354 2.063 20 10 BECDHN CCN1CC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000712612565 712437835 /nfs/dbraw/zinc/43/78/35/712437835.db2.gz BEVYCNIWNTVDAQ-QWHCGFSZSA-N 0 3 246.354 2.063 20 10 BECDHN C[C@@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1[O-] ZINC000716714028 712570648 /nfs/dbraw/zinc/57/06/48/712570648.db2.gz SJFNXCVGVLRRQR-LDYMZIIASA-N 0 3 245.269 2.059 20 10 BECDHN CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000380240616 712843339 /nfs/dbraw/zinc/84/33/39/712843339.db2.gz NDUGCIUPLNPXRR-ZYHUDNBSSA-N 0 3 223.341 2.376 20 10 BECDHN [O-]c1cc(O)ccc1C[NH+]1C2CCC1CC2 ZINC001204278898 966960928 /nfs/dbraw/zinc/96/09/28/966960928.db2.gz MHRYIPWAXBOVAW-UHFFFAOYSA-N 0 3 219.284 2.225 20 10 BECDHN C[C@@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC000128441985 1166062422 /nfs/dbraw/zinc/06/24/22/1166062422.db2.gz NNGQIDNNKQOLKW-KOLCDFICSA-N 0 3 221.300 2.376 20 10 BECDHN Cc1cccc(CN2CC[C@H](F)C2)c1O ZINC000689849234 1166365935 /nfs/dbraw/zinc/36/59/35/1166365935.db2.gz ODVBGAMLQWLFKH-NSHDSACASA-N 0 3 209.264 2.244 20 10 BECDHN CC1(C)CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233009824 978405652 /nfs/dbraw/zinc/40/56/52/978405652.db2.gz CLYOHOPBKVDBDW-UHFFFAOYSA-N 0 3 237.299 2.178 20 10 BECDHN [O-]c1cc(O)ccc1C[NH+]1CCCCCC1 ZINC000258164675 1168937939 /nfs/dbraw/zinc/93/79/39/1168937939.db2.gz QYYPRGBMMWYUSH-UHFFFAOYSA-N 0 3 221.300 2.474 20 10 BECDHN COCC[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000383832782 1169251419 /nfs/dbraw/zinc/25/14/19/1169251419.db2.gz JDOWTWAVYNOUEW-PWSUYJOCSA-N 0 3 235.327 2.394 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H](O)C1CCC1)CC2 ZINC000315763284 972250538 /nfs/dbraw/zinc/25/05/38/972250538.db2.gz CTPFCODAHALZLI-TZMCWYRMSA-N 0 3 247.338 2.130 20 10 BECDHN Cc1ccc(O)c(CN2CC[C@H](F)C2)c1 ZINC000689850289 959307805 /nfs/dbraw/zinc/30/78/05/959307805.db2.gz RFMVKGLSZIUGNJ-NSHDSACASA-N 0 3 209.264 2.244 20 10 BECDHN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000694397420 959851668 /nfs/dbraw/zinc/85/16/68/959851668.db2.gz YYAUSNGRKDKKKJ-BIMULSAOSA-N 0 3 221.300 2.220 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](CO)CC[C@H]2C)c([O-])c1 ZINC001140948119 960744711 /nfs/dbraw/zinc/74/47/11/960744711.db2.gz UFCIKYILMHABIK-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](CO)CC[C@H]2C)c([O-])c1 ZINC001140948119 960744726 /nfs/dbraw/zinc/74/47/26/960744726.db2.gz UFCIKYILMHABIK-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@](C)(O)C2)c([O-])c1 ZINC001140947707 960745519 /nfs/dbraw/zinc/74/55/19/960745519.db2.gz BSOUBBRVDJNFJP-DOMZBBRYSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@](C)(O)C2)c([O-])c1 ZINC001140947707 960745532 /nfs/dbraw/zinc/74/55/32/960745532.db2.gz BSOUBBRVDJNFJP-DOMZBBRYSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@](C)(O)C2)c([O-])c1 ZINC001140947708 960747786 /nfs/dbraw/zinc/74/77/86/960747786.db2.gz BSOUBBRVDJNFJP-IUODEOHRSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@](C)(O)C2)c([O-])c1 ZINC001140947708 960747806 /nfs/dbraw/zinc/74/78/06/960747806.db2.gz BSOUBBRVDJNFJP-IUODEOHRSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001140947826 960747995 /nfs/dbraw/zinc/74/79/95/960747995.db2.gz HHIKPBJSMJIYNG-AAEUAGOBSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001140947826 960748009 /nfs/dbraw/zinc/74/80/09/960748009.db2.gz HHIKPBJSMJIYNG-AAEUAGOBSA-N 0 3 235.327 2.046 20 10 BECDHN CC[NH+](CC)Cc1c([O-])cc(OC)cc1OC ZINC001141031270 960819279 /nfs/dbraw/zinc/81/92/79/960819279.db2.gz AWESYEMOYSOSDS-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN C[C@@H]1CN(Cc2ccccc2O)CCCC1=O ZINC001203550057 966684078 /nfs/dbraw/zinc/68/40/78/966684078.db2.gz GFGLWDLWSBNSSJ-LLVKDONJSA-N 0 3 233.311 2.193 20 10 BECDHN CC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203556127 966691489 /nfs/dbraw/zinc/69/14/89/966691489.db2.gz KMGHLAGWEFMANN-GFCCVEGCSA-N 0 3 233.311 2.193 20 10 BECDHN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203556127 966691497 /nfs/dbraw/zinc/69/14/97/966691497.db2.gz KMGHLAGWEFMANN-GFCCVEGCSA-N 0 3 233.311 2.193 20 10 BECDHN COc1ccc(CN2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001203621227 966708761 /nfs/dbraw/zinc/70/87/61/966708761.db2.gz PXAVTJNLUYELCB-SKDRFNHKSA-N 0 3 239.290 2.191 20 10 BECDHN C[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273077 966951722 /nfs/dbraw/zinc/95/17/22/966951722.db2.gz WTPWZYBAUYHBSA-JTQLQIEISA-N 0 3 221.300 2.330 20 10 BECDHN C[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273077 966951725 /nfs/dbraw/zinc/95/17/25/966951725.db2.gz WTPWZYBAUYHBSA-JTQLQIEISA-N 0 3 221.300 2.330 20 10 BECDHN CC1(F)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204271709 966953627 /nfs/dbraw/zinc/95/36/27/966953627.db2.gz CHEINQMWBOQAGU-UHFFFAOYSA-N 0 3 239.290 2.422 20 10 BECDHN CC[C@@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001251811409 968344448 /nfs/dbraw/zinc/34/44/48/968344448.db2.gz LGWOFMRCRAHZNB-CQSZACIVSA-N 0 3 245.322 2.406 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C/C=C\Cl ZINC001207738366 968872320 /nfs/dbraw/zinc/87/23/20/968872320.db2.gz BGXXUQRELGYRCF-RJRFIUFISA-N 0 3 215.655 2.373 20 10 BECDHN COc1cccc([O-])c1C[NH2+]C/C=C/C1CC1 ZINC001330432247 974264959 /nfs/dbraw/zinc/26/49/59/974264959.db2.gz ONCXOWBUEYKGGH-ONEGZZNKSA-N 0 3 233.311 2.457 20 10 BECDHN CCOCC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC001172409276 974671838 /nfs/dbraw/zinc/67/18/38/974671838.db2.gz SXYDQNRZYXWSAA-LLVKDONJSA-N 0 3 223.316 2.297 20 10 BECDHN Cc1cnccc1Nc1c(O)cccc1F ZINC001174537695 976825370 /nfs/dbraw/zinc/82/53/70/976825370.db2.gz NJVCUAIRJVLSFJ-UHFFFAOYSA-N 0 3 218.231 2.400 20 10 BECDHN COc1ccc(O)c(Nc2ccncc2C)c1 ZINC001174537778 976826284 /nfs/dbraw/zinc/82/62/84/976826284.db2.gz QDODVPPGQAULPO-UHFFFAOYSA-N 0 3 230.267 2.270 20 10 BECDHN Cc1cccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1O ZINC001231591578 977643774 /nfs/dbraw/zinc/64/37/74/977643774.db2.gz HBDNTVHTVXYERD-RWMBFGLXSA-N 0 3 235.302 2.490 20 10 BECDHN Oc1cc(CN2C[C@@H]3CCC[C@H]3C2)cc(O)c1O ZINC001233011087 978411702 /nfs/dbraw/zinc/41/17/02/978411702.db2.gz YSAYDBZSKOFYPP-QWRGUYRKSA-N 0 3 249.310 2.035 20 10 BECDHN CC[C@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233011536 978414732 /nfs/dbraw/zinc/41/47/32/978414732.db2.gz CMYNSHSTIVPTOT-JTQLQIEISA-N 0 3 237.299 2.178 20 10 BECDHN CC(C)(C)c1ccc(O)c(CN2CC(CO)C2)c1 ZINC001233286059 978528699 /nfs/dbraw/zinc/52/86/99/978528699.db2.gz CTUUWQWELVMSSL-UHFFFAOYSA-N 0 3 249.354 2.114 20 10 BECDHN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])C2(CC2)C1 ZINC001204279626 978950260 /nfs/dbraw/zinc/95/02/60/978950260.db2.gz CWCWMOZVWAKBDY-SNVBAGLBSA-N 0 3 233.311 2.472 20 10 BECDHN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])C2(CC2)C1 ZINC001204279626 978950265 /nfs/dbraw/zinc/95/02/65/978950265.db2.gz CWCWMOZVWAKBDY-SNVBAGLBSA-N 0 3 233.311 2.472 20 10 BECDHN CCc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001236782303 979730477 /nfs/dbraw/zinc/73/04/77/979730477.db2.gz AIJCNMWXBVOLGG-FZMZJTMJSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001236782303 979730482 /nfs/dbraw/zinc/73/04/82/979730482.db2.gz AIJCNMWXBVOLGG-FZMZJTMJSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@@H+]2CCOC[C@H](C)C2)c([O-])c1 ZINC001236784055 979730843 /nfs/dbraw/zinc/73/08/43/979730843.db2.gz RPESDHDFVYYUNP-GFCCVEGCSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[N@H+]2CCOC[C@H](C)C2)c([O-])c1 ZINC001236784055 979730856 /nfs/dbraw/zinc/73/08/56/979730856.db2.gz RPESDHDFVYYUNP-GFCCVEGCSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001236784764 979731261 /nfs/dbraw/zinc/73/12/61/979731261.db2.gz ZVLNMPUGRBXFCG-RISCZKNCSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001236784764 979731272 /nfs/dbraw/zinc/73/12/72/979731272.db2.gz ZVLNMPUGRBXFCG-RISCZKNCSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC001236787149 979732883 /nfs/dbraw/zinc/73/28/83/979732883.db2.gz AFESVGKCDQQHJF-OAHLLOKOSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC001236787149 979732891 /nfs/dbraw/zinc/73/28/91/979732891.db2.gz AFESVGKCDQQHJF-OAHLLOKOSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001236792254 979737044 /nfs/dbraw/zinc/73/70/44/979737044.db2.gz NERXFLAGYYGQKJ-DZGCQCFKSA-N 0 3 247.338 2.175 20 10 BECDHN CCc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001236792254 979737050 /nfs/dbraw/zinc/73/70/50/979737050.db2.gz NERXFLAGYYGQKJ-DZGCQCFKSA-N 0 3 247.338 2.175 20 10 BECDHN COc1cc(C)c(C[NH+]2CCCC2)c([O-])c1 ZINC001236818275 979746574 /nfs/dbraw/zinc/74/65/74/979746574.db2.gz KUPJCSQHTYGVQW-UHFFFAOYSA-N 0 3 221.300 2.305 20 10 BECDHN CC[C@H]([NH3+])CN(C)Cc1cc(Cl)ccc1[O-] ZINC001236865318 979770495 /nfs/dbraw/zinc/77/04/95/979770495.db2.gz IQJARILRMGJDMH-NSHDSACASA-N 0 3 242.750 2.215 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001203561334 979773565 /nfs/dbraw/zinc/77/35/65/979773565.db2.gz QPJASXWZRBVDBF-PWSUYJOCSA-N 0 3 203.285 2.377 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001203561334 979773571 /nfs/dbraw/zinc/77/35/71/979773571.db2.gz QPJASXWZRBVDBF-PWSUYJOCSA-N 0 3 203.285 2.377 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](O)[C@@H](C)C1 ZINC001237484282 979911964 /nfs/dbraw/zinc/91/19/64/979911964.db2.gz ACGMPMYLWHWUBQ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](O)[C@@H](C)C1 ZINC001237484282 979911972 /nfs/dbraw/zinc/91/19/72/979911972.db2.gz ACGMPMYLWHWUBQ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN COC[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1[O-] ZINC001237482677 979913063 /nfs/dbraw/zinc/91/30/63/979913063.db2.gz NFJXKNQZHRREQD-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN COC[C@@H]1CCC[N@H+]1Cc1c(C)cccc1[O-] ZINC001237482677 979913072 /nfs/dbraw/zinc/91/30/72/979913072.db2.gz NFJXKNQZHRREQD-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001237486243 979913394 /nfs/dbraw/zinc/91/33/94/979913394.db2.gz ZKXIUOMILAIBOL-WFASDCNBSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(O)[C@@H](C)C1 ZINC001237486243 979913404 /nfs/dbraw/zinc/91/34/04/979913404.db2.gz ZKXIUOMILAIBOL-WFASDCNBSA-N 0 3 249.354 2.293 20 10 BECDHN CC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489562 979913570 /nfs/dbraw/zinc/91/35/70/979913570.db2.gz BXFXUWFMFKGQLA-LBPRGKRZSA-N 0 3 233.311 2.112 20 10 BECDHN CC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489562 979913581 /nfs/dbraw/zinc/91/35/81/979913581.db2.gz BXFXUWFMFKGQLA-LBPRGKRZSA-N 0 3 233.311 2.112 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001237484683 979913832 /nfs/dbraw/zinc/91/38/32/979913832.db2.gz HOWYZSIXLJNALB-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001237484683 979913839 /nfs/dbraw/zinc/91/38/39/979913839.db2.gz HOWYZSIXLJNALB-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN CC(=O)[C@@H]1CCCN1Cc1c(C)cccc1O ZINC001237496273 979921837 /nfs/dbraw/zinc/92/18/37/979921837.db2.gz XSBYPWBTQRTDLU-ZDUSSCGKSA-N 0 3 233.311 2.254 20 10 BECDHN Oc1ccc(CN2CCC[C@@H](F)CC2)cc1O ZINC001203875505 982559351 /nfs/dbraw/zinc/55/93/51/982559351.db2.gz OEFSMUJVCBOYOE-LLVKDONJSA-N 0 3 239.290 2.422 20 10 BECDHN COC1(C[N@H+](C)Cc2ccccc2[O-])CCC1 ZINC001352826955 982592404 /nfs/dbraw/zinc/59/24/04/982592404.db2.gz ZCRKVWIIJLTLLL-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN COC1(C[N@@H+](C)Cc2ccccc2[O-])CCC1 ZINC001352826955 982592411 /nfs/dbraw/zinc/59/24/11/982592411.db2.gz ZCRKVWIIJLTLLL-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN CCn1cc(C[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000688472570 985652855 /nfs/dbraw/zinc/65/28/55/985652855.db2.gz DXOREACGPCACMU-LLVKDONJSA-N 0 3 245.326 2.459 20 10 BECDHN CCCO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000701667868 993899572 /nfs/dbraw/zinc/89/95/72/993899572.db2.gz OMZGFXILQHQGKO-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CCCO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000701667868 993899574 /nfs/dbraw/zinc/89/95/74/993899574.db2.gz OMZGFXILQHQGKO-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)[C@H](C)O ZINC001615686622 1170528034 /nfs/dbraw/zinc/52/80/34/1170528034.db2.gz RSROWVGUFAHEBF-RYUDHWBXSA-N 0 3 237.343 2.374 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)[C@H](C)O ZINC001615686622 1170528037 /nfs/dbraw/zinc/52/80/37/1170528037.db2.gz RSROWVGUFAHEBF-RYUDHWBXSA-N 0 3 237.343 2.374 20 10 BECDHN Cc1n[nH]cc1CN(C)Cc1ccccc1O ZINC000091974714 398304057 /nfs/dbraw/zinc/30/40/57/398304057.db2.gz AUFNSYVHKPCMIS-UHFFFAOYSA-N 0 3 231.299 2.056 20 10 BECDHN CC[C@@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020085790 342968383 /nfs/dbraw/zinc/96/83/83/342968383.db2.gz VYGWVEPKLKEOFF-SECBINFHSA-N 0 3 209.289 2.289 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])CC(C)(C)O ZINC000076074346 344021356 /nfs/dbraw/zinc/02/13/56/344021356.db2.gz MBLIDJUYUZSSHS-UHFFFAOYSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])CC(C)(C)O ZINC000076074346 344021358 /nfs/dbraw/zinc/02/13/58/344021358.db2.gz MBLIDJUYUZSSHS-UHFFFAOYSA-N 0 3 237.343 2.375 20 10 BECDHN C[C@@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037158177 343337275 /nfs/dbraw/zinc/33/72/75/343337275.db2.gz UHBGXNDXCCHFET-RYUDHWBXSA-N 0 3 245.326 2.328 20 10 BECDHN C[C@H](Cn1ccnc1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037158179 343337479 /nfs/dbraw/zinc/33/74/79/343337479.db2.gz UHBGXNDXCCHFET-NEPJUHHUSA-N 0 3 245.326 2.328 20 10 BECDHN CC[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1[O-] ZINC000037738067 343353514 /nfs/dbraw/zinc/35/35/14/343353514.db2.gz OZUSVYXHPXICGZ-AAEUAGOBSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@H](CCCO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000296627303 136375994 /nfs/dbraw/zinc/37/59/94/136375994.db2.gz XEECLVNIWURAAT-VXGBXAGGSA-N 0 3 237.343 2.451 20 10 BECDHN CC(C)C[C@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000040773747 187264035 /nfs/dbraw/zinc/26/40/35/187264035.db2.gz LMHYWINLSCFBQN-NWDGAFQWSA-N 0 3 237.343 2.450 20 10 BECDHN CCN(Cc1cnn(C)c1)Cc1ccccc1O ZINC000179563164 346989282 /nfs/dbraw/zinc/98/92/82/346989282.db2.gz YMDKHMQKKJNBNQ-UHFFFAOYSA-N 0 3 245.326 2.148 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C)c([O-])c1 ZINC000038088170 178891653 /nfs/dbraw/zinc/89/16/53/178891653.db2.gz VGCJTBIUIDVLQF-RYUDHWBXSA-N 0 3 236.359 2.301 20 10 BECDHN CC(C)(CCCO)C[NH2+]Cc1ccccc1[O-] ZINC000221390805 187319976 /nfs/dbraw/zinc/31/99/76/187319976.db2.gz QYUAMFRGQQTUOM-UHFFFAOYSA-N 0 3 237.343 2.281 20 10 BECDHN Cc1cccc(C[NH+]2CCC([C@H](C)O)CC2)c1[O-] ZINC000271736291 179073579 /nfs/dbraw/zinc/07/35/79/179073579.db2.gz OPBXXTFSYDBKTD-LBPRGKRZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000271870945 179067973 /nfs/dbraw/zinc/06/79/73/179067973.db2.gz SDKMYWDNMIWTEE-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000271870945 179067975 /nfs/dbraw/zinc/06/79/75/179067975.db2.gz SDKMYWDNMIWTEE-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1[O-] ZINC000224918484 179097795 /nfs/dbraw/zinc/09/77/95/179097795.db2.gz CRIHQLAQYLBQMF-WCQYABFASA-N 0 3 235.327 2.358 20 10 BECDHN CC1(C)C[C@@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000160466224 346454409 /nfs/dbraw/zinc/45/44/09/346454409.db2.gz VZFCQOOICNMUKG-LBPRGKRZSA-N 0 3 235.327 2.439 20 10 BECDHN Cc1cccc(C[NH2+]CCCCCCO)c1[O-] ZINC000083365124 179090633 /nfs/dbraw/zinc/09/06/33/179090633.db2.gz OMGIZFJUROUUAM-UHFFFAOYSA-N 0 3 237.343 2.343 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1[O-] ZINC000162517717 179094679 /nfs/dbraw/zinc/09/46/79/179094679.db2.gz KPGSEGBANNYWPN-CMPLNLGQSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1c(CNCc2cccc(C)c2O)cnn1C ZINC000224941009 179095467 /nfs/dbraw/zinc/09/54/67/179095467.db2.gz LQUUGMIEGRSZQR-UHFFFAOYSA-N 0 3 245.326 2.032 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCSC2)c1[O-] ZINC000224888918 179097374 /nfs/dbraw/zinc/09/73/74/179097374.db2.gz DCAWCGLOYWPWAI-LLVKDONJSA-N 0 3 223.341 2.296 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](CCO)C(C)C)c1[O-] ZINC000224869034 179098894 /nfs/dbraw/zinc/09/88/94/179098894.db2.gz DCKXOXQKPPXKES-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCOC[C@@H]2C)c1[O-] ZINC000277321565 179101282 /nfs/dbraw/zinc/10/12/82/179101282.db2.gz CCTNLAPLZLNPTK-AAEUAGOBSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCC[C@H]2CCO)c1[O-] ZINC000190303586 179101667 /nfs/dbraw/zinc/10/16/67/179101667.db2.gz OXYIWWGLQNWCHJ-JSGCOSHPSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ncc(C[NH2+]Cc2ccccc2[O-])s1 ZINC000040997374 180153927 /nfs/dbraw/zinc/15/39/27/180153927.db2.gz IGMYEIYAOWZAMW-UHFFFAOYSA-N 0 3 234.324 2.447 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CO)c([O-])c1C ZINC000134926150 538109457 /nfs/dbraw/zinc/10/94/57/538109457.db2.gz JTHYPPRAYPZDCP-ONGXEEELSA-N 0 3 223.316 2.040 20 10 BECDHN CC(C)C[C@@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296207699 188269769 /nfs/dbraw/zinc/26/97/69/188269769.db2.gz ZFBBEXPBOIEETQ-QWHCGFSZSA-N 0 3 249.354 2.376 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCCO2)c1 ZINC000071408550 188305665 /nfs/dbraw/zinc/30/56/65/188305665.db2.gz NEPBORBIXQUXBM-CYBMUJFWSA-N 0 3 235.327 2.359 20 10 BECDHN C[C@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000071207009 188305737 /nfs/dbraw/zinc/30/57/37/188305737.db2.gz TZCQTGWYUOTWEU-GXSJLCMTSA-N 0 3 249.310 2.399 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCc2ccccn2)c1 ZINC000071406076 188305890 /nfs/dbraw/zinc/30/58/90/188305890.db2.gz XKTIUFFPADMNIX-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000134145277 358781717 /nfs/dbraw/zinc/78/17/17/358781717.db2.gz INRRTTGCCKHUSE-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCCO[C@H](C)C2)c1 ZINC000134145277 358781719 /nfs/dbraw/zinc/78/17/19/358781719.db2.gz INRRTTGCCKHUSE-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820624 360281953 /nfs/dbraw/zinc/28/19/53/360281953.db2.gz KVMJAEPLCHWCBO-HNNXBMFYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@]3(CCOC3)C2)c1 ZINC000093820624 360281956 /nfs/dbraw/zinc/28/19/56/360281956.db2.gz KVMJAEPLCHWCBO-HNNXBMFYSA-N 0 3 247.338 2.313 20 10 BECDHN CC1(C)CC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000290187432 364699180 /nfs/dbraw/zinc/69/91/80/364699180.db2.gz SOIYAPOYAJDYGB-ZDUSSCGKSA-N 0 3 249.310 2.399 20 10 BECDHN CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296252901 364783987 /nfs/dbraw/zinc/78/39/87/364783987.db2.gz BHXKYNJDIDZYKB-KGYLQXTDSA-N 0 3 247.338 2.129 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCCCCCO ZINC000083352843 183043418 /nfs/dbraw/zinc/04/34/18/183043418.db2.gz OJSWVKIQWOAWKG-UHFFFAOYSA-N 0 3 223.316 2.035 20 10 BECDHN CCC[N@H+](CC)Cc1cc2c(cc1[O-])OCO2 ZINC000112465867 169130560 /nfs/dbraw/zinc/13/05/60/169130560.db2.gz BEKIRISZTVCJEO-UHFFFAOYSA-N 0 3 237.299 2.353 20 10 BECDHN CCC[N@@H+](CC)Cc1cc2c(cc1[O-])OCO2 ZINC000112465867 169130561 /nfs/dbraw/zinc/13/05/61/169130561.db2.gz BEKIRISZTVCJEO-UHFFFAOYSA-N 0 3 237.299 2.353 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+]CC1CCC1)OCO2 ZINC000042879687 183261631 /nfs/dbraw/zinc/26/16/31/183261631.db2.gz WWSJQKBQEKPDSH-UHFFFAOYSA-N 0 3 235.283 2.011 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000297170150 183296739 /nfs/dbraw/zinc/29/67/39/183296739.db2.gz DKAOPSRPCKDYMW-RYUDHWBXSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245605525 183300933 /nfs/dbraw/zinc/30/09/33/183300933.db2.gz MEDLBVSQORUUKF-ZFWWWQNUSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@H]2C1 ZINC000245605525 183300935 /nfs/dbraw/zinc/30/09/35/183300935.db2.gz MEDLBVSQORUUKF-ZFWWWQNUSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291209626 183302489 /nfs/dbraw/zinc/30/24/89/183302489.db2.gz IIZAVNDUCMQKID-ZDUSSCGKSA-N 0 3 243.310 2.036 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](n2cccn2)C1 ZINC000291209626 183302490 /nfs/dbraw/zinc/30/24/90/183302490.db2.gz IIZAVNDUCMQKID-ZDUSSCGKSA-N 0 3 243.310 2.036 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1CF ZINC000293989893 183302534 /nfs/dbraw/zinc/30/25/34/183302534.db2.gz LOSMSUORXMGJJE-LLVKDONJSA-N 0 3 209.264 2.326 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1CF ZINC000293989893 183302535 /nfs/dbraw/zinc/30/25/35/183302535.db2.gz LOSMSUORXMGJJE-LLVKDONJSA-N 0 3 209.264 2.326 20 10 BECDHN Oc1ccccc1CN[C@H]1CCCc2c[nH]nc21 ZINC000378165189 183303304 /nfs/dbraw/zinc/30/33/04/183303304.db2.gz XJHUUJLFGHPGBC-LBPRGKRZSA-N 0 3 243.310 2.283 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCCO1 ZINC000042811948 183303580 /nfs/dbraw/zinc/30/35/80/183303580.db2.gz JVWNKFFFGMJOCU-LBPRGKRZSA-N 0 3 221.300 2.051 20 10 BECDHN Oc1ccccc1CN[C@@H]1CCCc2c[nH]nc21 ZINC000378165184 183304017 /nfs/dbraw/zinc/30/40/17/183304017.db2.gz XJHUUJLFGHPGBC-GFCCVEGCSA-N 0 3 243.310 2.283 20 10 BECDHN c1cc(CN[C@@H]2C[C@H]3CC[C@@H]2O3)cc2c1OCC2 ZINC000152913239 183368320 /nfs/dbraw/zinc/36/83/20/183368320.db2.gz BWKKEHMITVNAID-NFAWXSAZSA-N 0 3 245.322 2.031 20 10 BECDHN CCC[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879111 169370618 /nfs/dbraw/zinc/37/06/18/169370618.db2.gz QZDJHFOEEVXSJW-SECBINFHSA-N 0 3 237.299 2.399 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)CCCO)c1ccccc1[O-] ZINC000087358110 383827780 /nfs/dbraw/zinc/82/77/80/383827780.db2.gz NEVWYRKWBFCXHF-WDEREUQCSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000035628935 383866872 /nfs/dbraw/zinc/86/68/72/383866872.db2.gz WHKCSGAYJHVSRC-MNOVXSKESA-N 0 3 223.316 2.122 20 10 BECDHN C[C@H]([NH2+]C1CCN(C)CC1)c1ccccc1[O-] ZINC000037267151 383968327 /nfs/dbraw/zinc/96/83/27/383968327.db2.gz COJBMBZRDXKKEX-NSHDSACASA-N 0 3 234.343 2.137 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)N(C)C)c1 ZINC000038088026 384067349 /nfs/dbraw/zinc/06/73/49/384067349.db2.gz BBAARNRQHWOGSC-RYUDHWBXSA-N 0 3 236.359 2.301 20 10 BECDHN CC[C@@H](COC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070625045 384124396 /nfs/dbraw/zinc/12/43/96/384124396.db2.gz ORQIKCXEQRUNGZ-LBPRGKRZSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)Cn2ccnc2)c1 ZINC000071407952 384165812 /nfs/dbraw/zinc/16/58/12/384165812.db2.gz IUIFRBLWFJEDFA-LBPRGKRZSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1ccc(O)c(CN2C[C@H](C)OC[C@@H]2C)c1 ZINC000132181601 384220856 /nfs/dbraw/zinc/22/08/56/384220856.db2.gz NWFYHKVFZGLUBI-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000042879745 384250469 /nfs/dbraw/zinc/25/04/69/384250469.db2.gz RCEFKTVDHRVNLM-MRVPVSSYSA-N 0 3 235.283 2.009 20 10 BECDHN CC[C@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618374 384307537 /nfs/dbraw/zinc/30/75/37/384307537.db2.gz OHIGBBFVRRXDBX-ZANVPECISA-N 0 3 241.306 2.343 20 10 BECDHN C[C@@H]([NH2+]C1CCOCC1)c1cc(F)ccc1[O-] ZINC000094617136 384308238 /nfs/dbraw/zinc/30/82/38/384308238.db2.gz LGFNPTAFNOMYMT-SECBINFHSA-N 0 3 239.290 2.361 20 10 BECDHN C[C@H]([NH2+][C@H]1CCCOC1)c1cc(F)ccc1[O-] ZINC000094618209 384308349 /nfs/dbraw/zinc/30/83/49/384308349.db2.gz JCDJZNORIKRTPK-ONGXEEELSA-N 0 3 239.290 2.361 20 10 BECDHN C[C@@H]([NH2+]CC1(C)COC1)c1cc(F)ccc1[O-] ZINC000094721963 384309686 /nfs/dbraw/zinc/30/96/86/384309686.db2.gz CDUUKUFILYQHRU-SECBINFHSA-N 0 3 239.290 2.218 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CCCO1)c1ccccc1[O-] ZINC000019963526 384563044 /nfs/dbraw/zinc/56/30/44/384563044.db2.gz YZURDEZFFUJSAQ-GHMZBOCLSA-N 0 3 221.300 2.222 20 10 BECDHN COC[C@H](C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162832856 384691696 /nfs/dbraw/zinc/69/16/96/384691696.db2.gz ZHZMAPBXFGHLQV-SNVBAGLBSA-N 0 3 223.316 2.073 20 10 BECDHN CC[C@H](COC)[NH2+]Cc1cccc(C)c1[O-] ZINC000162867615 384699830 /nfs/dbraw/zinc/69/98/30/384699830.db2.gz KKMSDOLCXGXKEY-GFCCVEGCSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)O)c([O-])c1 ZINC000083461343 384773736 /nfs/dbraw/zinc/77/37/36/384773736.db2.gz DZIRWBJSNZSHOE-JTQLQIEISA-N 0 3 223.316 2.122 20 10 BECDHN CCN(C)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000054110018 384823112 /nfs/dbraw/zinc/82/31/12/384823112.db2.gz ZNRGFLUROQHIOC-GFCCVEGCSA-N 0 3 236.359 2.303 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@@H]2CCO)c1 ZINC000189942263 385199735 /nfs/dbraw/zinc/19/97/35/385199735.db2.gz QYFNPGMYYINFRH-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000189315857 385144375 /nfs/dbraw/zinc/14/43/75/385144375.db2.gz QJRFETVGNWMENF-UTUOFQBUSA-N 0 3 235.327 2.204 20 10 BECDHN CSCCC[NH2+]Cc1ccccc1[O-] ZINC000068997666 385240971 /nfs/dbraw/zinc/24/09/71/385240971.db2.gz MJZWLBCPRSQPPI-UHFFFAOYSA-N 0 3 211.330 2.235 20 10 BECDHN CC1(C)OCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000294911524 385308560 /nfs/dbraw/zinc/30/85/60/385308560.db2.gz YAOHLZQPOZDOTP-GFCCVEGCSA-N 0 3 239.290 2.188 20 10 BECDHN C[C@@H]([NH2+]CCCCCO)c1cc(F)ccc1[O-] ZINC000192931048 385375814 /nfs/dbraw/zinc/37/58/14/385375814.db2.gz CGVHFVPNCNEGIO-SNVBAGLBSA-N 0 3 241.306 2.345 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](O)C(C)C)c1 ZINC000168774827 385384496 /nfs/dbraw/zinc/38/44/96/385384496.db2.gz SSDWPECDKFPJQJ-RISCZKNCSA-N 0 3 237.343 2.368 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000168775026 385385310 /nfs/dbraw/zinc/38/53/10/385385310.db2.gz SSDWPECDKFPJQJ-BXUZGUMPSA-N 0 3 237.343 2.368 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCc2cn[nH]c2)c([O-])c1 ZINC000289768102 385399764 /nfs/dbraw/zinc/39/97/64/385399764.db2.gz LZZFVLMPLFSDMH-LLVKDONJSA-N 0 3 245.326 2.317 20 10 BECDHN CC[C@@H]1CN(Cc2ccccc2O)C[C@H](C)O1 ZINC000179563391 385474770 /nfs/dbraw/zinc/47/47/70/385474770.db2.gz AKIIDPHMIZDKBI-WCQYABFASA-N 0 3 235.327 2.392 20 10 BECDHN CCC(O)(CC)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180540107 385528828 /nfs/dbraw/zinc/52/88/28/385528828.db2.gz YBKNMAHZOKVSHJ-UHFFFAOYSA-N 0 3 241.306 2.172 20 10 BECDHN COC[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000211417174 385683922 /nfs/dbraw/zinc/68/39/22/385683922.db2.gz YLKYUGPFERIPNT-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000211417174 385683925 /nfs/dbraw/zinc/68/39/25/385683925.db2.gz YLKYUGPFERIPNT-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN CO[C@@]1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000230299915 385727820 /nfs/dbraw/zinc/72/78/20/385727820.db2.gz BHXRQSSZZCFJQD-AWEZNQCLSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@@]1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000230299915 385727823 /nfs/dbraw/zinc/72/78/23/385727823.db2.gz BHXRQSSZZCFJQD-AWEZNQCLSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](CCO)C(C)C)c1 ZINC000230690479 385750517 /nfs/dbraw/zinc/75/05/17/385750517.db2.gz WNUJYOSRQPHEJR-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1[O-] ZINC000183448330 385762560 /nfs/dbraw/zinc/76/25/60/385762560.db2.gz ZZSJETRYQCZQGR-RYUDHWBXSA-N 0 3 234.343 2.137 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000271204814 385803938 /nfs/dbraw/zinc/80/39/38/385803938.db2.gz VOZIKSISFUZGII-GXTWGEPZSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c1 ZINC000271204814 385803941 /nfs/dbraw/zinc/80/39/41/385803941.db2.gz VOZIKSISFUZGII-GXTWGEPZSA-N 0 3 249.354 2.436 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272587413 385915217 /nfs/dbraw/zinc/91/52/17/385915217.db2.gz HIJKCXIFKZCQPB-ZFWWWQNUSA-N 0 3 249.354 2.375 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCC[C@@H]1O ZINC000272587413 385915222 /nfs/dbraw/zinc/91/52/22/385915222.db2.gz HIJKCXIFKZCQPB-ZFWWWQNUSA-N 0 3 249.354 2.375 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCO)c([O-])c1C ZINC000273359231 385992636 /nfs/dbraw/zinc/99/26/36/385992636.db2.gz ABQJCUFUPBTCAV-ZYHUDNBSSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)c([O-])c1C ZINC000273581503 386015460 /nfs/dbraw/zinc/01/54/60/386015460.db2.gz MSEGSLJJLZLUOP-PWSUYJOCSA-N 0 3 237.343 2.431 20 10 BECDHN CO[C@@H](C)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296278326 386159011 /nfs/dbraw/zinc/15/90/11/386159011.db2.gz COGUNQKTMZGUKH-NHCYSSNCSA-N 0 3 235.327 2.393 20 10 BECDHN CCC(CC)[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000225816510 386219489 /nfs/dbraw/zinc/21/94/89/386219489.db2.gz VZWHUTVQFFVSCQ-AWEZNQCLSA-N 0 3 237.343 2.279 20 10 BECDHN CC(C)n1cc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000226243435 386242272 /nfs/dbraw/zinc/24/22/72/386242272.db2.gz HHQRUHDBXLBFFF-UHFFFAOYSA-N 0 3 245.326 2.459 20 10 BECDHN CC(C)(C)C[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000227374944 386481675 /nfs/dbraw/zinc/48/16/75/386481675.db2.gz MPPDHRKDFGAYEO-GFCCVEGCSA-N 0 3 237.343 2.279 20 10 BECDHN C[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1[O-] ZINC000278559643 386550008 /nfs/dbraw/zinc/55/00/08/386550008.db2.gz OZTIGFDMUFHJSJ-MDZLAQPJSA-N 0 3 235.327 2.468 20 10 BECDHN C[N@H+](CCCCCO)Cc1cc(F)ccc1[O-] ZINC000279393837 386677127 /nfs/dbraw/zinc/67/71/27/386677127.db2.gz KLOXCDBNDHVDKN-UHFFFAOYSA-N 0 3 241.306 2.126 20 10 BECDHN C[N@@H+](CCCCCO)Cc1cc(F)ccc1[O-] ZINC000279393837 386677135 /nfs/dbraw/zinc/67/71/35/386677135.db2.gz KLOXCDBNDHVDKN-UHFFFAOYSA-N 0 3 241.306 2.126 20 10 BECDHN C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccccc1[O-] ZINC000296241761 386711074 /nfs/dbraw/zinc/71/10/74/386711074.db2.gz CNSXOXUNPBCVMU-UTUOFQBUSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)CC(C)(C)CO)c1 ZINC000294670924 386683509 /nfs/dbraw/zinc/68/35/09/386683509.db2.gz AVNQHXIQBJYJHW-UHFFFAOYSA-N 0 3 237.343 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)CC(C)(C)CO)c1 ZINC000294670924 386683513 /nfs/dbraw/zinc/68/35/13/386683513.db2.gz AVNQHXIQBJYJHW-UHFFFAOYSA-N 0 3 237.343 2.151 20 10 BECDHN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(C)cc1[O-] ZINC000296078546 386708665 /nfs/dbraw/zinc/70/86/65/386708665.db2.gz XEJRTFUWSOOCKN-LOWVWBTDSA-N 0 3 235.327 2.265 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC2COC2)c([O-])c1C ZINC000528023046 387828142 /nfs/dbraw/zinc/82/81/42/387828142.db2.gz CCUFOMMPTGPAMA-LLVKDONJSA-N 0 3 235.327 2.306 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000296026482 177874079 /nfs/dbraw/zinc/87/40/79/177874079.db2.gz SJCCEBCQBHUXFJ-SDDRHHMPSA-N 0 3 235.327 2.183 20 10 BECDHN CC[C@H]([NH2+]Cc1cccc(C)c1[O-])C(C)(C)O ZINC000293564175 388390936 /nfs/dbraw/zinc/39/09/36/388390936.db2.gz GIBJAWCJWITEFF-LBPRGKRZSA-N 0 3 237.343 2.340 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC[C@@H](C)CCO)c1 ZINC000295141041 388409295 /nfs/dbraw/zinc/40/92/95/388409295.db2.gz PVGRIEVFFSSGKK-LLVKDONJSA-N 0 3 237.343 2.199 20 10 BECDHN CCOCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295989574 388415236 /nfs/dbraw/zinc/41/52/36/388415236.db2.gz NROSSGIBLCCNFW-NSHDSACASA-N 0 3 221.300 2.006 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cn[nH]c1 ZINC000296670249 388425110 /nfs/dbraw/zinc/42/51/10/388425110.db2.gz FUMUVMUVZLREHZ-SKDRFNHKSA-N 0 3 243.310 2.453 20 10 BECDHN CC[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000297490129 388429384 /nfs/dbraw/zinc/42/93/84/388429384.db2.gz ZXRZDDDPEVMKCY-RYUDHWBXSA-N 0 3 235.327 2.394 20 10 BECDHN C[C@H](CCO)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297459619 388429510 /nfs/dbraw/zinc/42/95/10/388429510.db2.gz XREUHZHZKGXUHC-AAEUAGOBSA-N 0 3 249.354 2.378 20 10 BECDHN CS[C@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226617155 388724142 /nfs/dbraw/zinc/72/41/42/388724142.db2.gz QBBJVWGJMRJBTB-MRVPVSSYSA-N 0 3 229.320 2.372 20 10 BECDHN COCc1ccc(CNCc2ccccc2O)o1 ZINC000268827217 389004347 /nfs/dbraw/zinc/00/43/47/389004347.db2.gz ZIDSEFRBIPKNEZ-UHFFFAOYSA-N 0 3 247.294 2.421 20 10 BECDHN CC(C)OCCC[NH2+]Cc1ccccc1[O-] ZINC000020197951 167223430 /nfs/dbraw/zinc/22/34/30/167223430.db2.gz NONJMMDTBUGEOP-UHFFFAOYSA-N 0 3 223.316 2.297 20 10 BECDHN CC1(CC[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000280477789 168020326 /nfs/dbraw/zinc/02/03/26/168020326.db2.gz DETGJNKEIKADSK-UHFFFAOYSA-N 0 3 249.310 2.401 20 10 BECDHN CCOCC[N@H+](CC)Cc1ccccc1[O-] ZINC000132733176 170395808 /nfs/dbraw/zinc/39/58/08/170395808.db2.gz IYWBFCOYWXEONI-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN CCOCC[N@@H+](CC)Cc1ccccc1[O-] ZINC000132733176 170395810 /nfs/dbraw/zinc/39/58/10/170395810.db2.gz IYWBFCOYWXEONI-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN CC[C@H](C)N(C)CC[NH2+]Cc1ccccc1[O-] ZINC000217390360 171305763 /nfs/dbraw/zinc/30/57/63/171305763.db2.gz WRSZXYPVJDZHBH-LBPRGKRZSA-N 0 3 236.359 2.212 20 10 BECDHN CC[C@H](C)[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297794993 171378121 /nfs/dbraw/zinc/37/81/21/171378121.db2.gz QDQSQZAQUZUTDX-SUHUHFCYSA-N 0 3 249.354 2.376 20 10 BECDHN CC[C@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000163988146 171561700 /nfs/dbraw/zinc/56/17/00/171561700.db2.gz DGRMXFCVNKCNOQ-MNOVXSKESA-N 0 3 223.316 2.204 20 10 BECDHN COCC1=CC[N@H+](Cc2cc(C)ccc2[O-])CC1 ZINC000187616475 174116864 /nfs/dbraw/zinc/11/68/64/174116864.db2.gz MKCHODMNZHIJHP-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN COCC1=CC[N@@H+](Cc2cc(C)ccc2[O-])CC1 ZINC000187616475 174116866 /nfs/dbraw/zinc/11/68/66/174116866.db2.gz MKCHODMNZHIJHP-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN COCCC1(C)C[NH+](Cc2ccccc2[O-])C1 ZINC000297510026 174153308 /nfs/dbraw/zinc/15/33/08/174153308.db2.gz XCSMULPHWLQHKL-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN COCCNCc1ccc(N2CCCC2)cc1 ZINC000037186349 174336393 /nfs/dbraw/zinc/33/63/93/174336393.db2.gz ONBXJFBJCLUHQK-UHFFFAOYSA-N 0 3 234.343 2.023 20 10 BECDHN COCC[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226589132 174384786 /nfs/dbraw/zinc/38/47/86/174384786.db2.gz FSNGYZGOLKJRGP-SECBINFHSA-N 0 3 227.279 2.046 20 10 BECDHN CO[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000191651220 174850744 /nfs/dbraw/zinc/85/07/44/174850744.db2.gz YLBPQGDIDJNASS-GARJFASQSA-N 0 3 223.316 2.466 20 10 BECDHN CO[C@H](C[NH2+]Cc1cccc(C)c1[O-])C1CC1 ZINC000293763322 174867924 /nfs/dbraw/zinc/86/79/24/174867924.db2.gz XZMQBFXUSPMTRX-CYBMUJFWSA-N 0 3 235.327 2.215 20 10 BECDHN COc1ccc([O-])c(C[N@H+](C)C2CCC2)c1 ZINC000180295134 175157039 /nfs/dbraw/zinc/15/70/39/175157039.db2.gz VZHMFPQIOFARNQ-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1ccc([O-])c(C[N@@H+](C)C2CCC2)c1 ZINC000180295134 175157040 /nfs/dbraw/zinc/15/70/40/175157040.db2.gz VZHMFPQIOFARNQ-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1ccc([O-])c(C[NH2+]C2CC(C)C2)c1 ZINC000162690024 175157449 /nfs/dbraw/zinc/15/74/49/175157449.db2.gz YJWYEYMREAQAHI-UHFFFAOYSA-N 0 3 221.300 2.289 20 10 BECDHN COc1ccc([O-])c(C[NH2+]Cc2ccn(C)c2)c1 ZINC000125533123 175158564 /nfs/dbraw/zinc/15/85/64/175158564.db2.gz UITAYHDQSKJSPR-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN COc1ccc(O)c(CNCc2ccn(C)c2)c1 ZINC000125533123 175158565 /nfs/dbraw/zinc/15/85/65/175158565.db2.gz UITAYHDQSKJSPR-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@H](C)CSC)c1 ZINC000162657730 175158928 /nfs/dbraw/zinc/15/89/28/175158928.db2.gz IRRCDKJGLXYPGK-SECBINFHSA-N 0 3 241.356 2.242 20 10 BECDHN COc1ccc([O-])c(C[NH2+]CC2CCC2)c1 ZINC000037179398 175159521 /nfs/dbraw/zinc/15/95/21/175159521.db2.gz UBPPFNDIBHOIPD-UHFFFAOYSA-N 0 3 221.300 2.291 20 10 BECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2CC2)c1 ZINC000019884908 175160678 /nfs/dbraw/zinc/16/06/78/175160678.db2.gz WQABYHMHLBQASX-SECBINFHSA-N 0 3 221.300 2.461 20 10 BECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)OC)c1 ZINC000182434785 175160956 /nfs/dbraw/zinc/16/09/56/175160956.db2.gz LTLOZWOLUOYZNP-ZJUUUORDSA-N 0 3 239.315 2.086 20 10 BECDHN COc1cccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000093661110 175261056 /nfs/dbraw/zinc/26/10/56/175261056.db2.gz CTWXTNPESKNDEM-TXEJJXNPSA-N 0 3 247.338 2.489 20 10 BECDHN COc1cccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c1[O-] ZINC000093661110 175261057 /nfs/dbraw/zinc/26/10/57/175261057.db2.gz CTWXTNPESKNDEM-TXEJJXNPSA-N 0 3 247.338 2.489 20 10 BECDHN COc1cccc(C[NH2+]CCC2CC2)c1[O-] ZINC000083893423 175263317 /nfs/dbraw/zinc/26/33/17/175263317.db2.gz BFJFZVVSANTYGK-UHFFFAOYSA-N 0 3 221.300 2.291 20 10 BECDHN COc1cccc(C[NH2+][C@@H](C)CSC)c1[O-] ZINC000076768954 175266024 /nfs/dbraw/zinc/26/60/24/175266024.db2.gz OANYDHQRQRLHNX-VIFPVBQESA-N 0 3 241.356 2.242 20 10 BECDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226563343 176174673 /nfs/dbraw/zinc/17/46/73/176174673.db2.gz XTVZESCXSGFQMS-SECBINFHSA-N 0 3 209.264 2.373 20 10 BECDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226563343 176174676 /nfs/dbraw/zinc/17/46/76/176174676.db2.gz XTVZESCXSGFQMS-SECBINFHSA-N 0 3 209.264 2.373 20 10 BECDHN C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CCN1C ZINC000179579725 176371436 /nfs/dbraw/zinc/37/14/36/176371436.db2.gz HFPNXVCRNNKZCV-OCCSQVGLSA-N 0 3 248.370 2.307 20 10 BECDHN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CCN1C ZINC000179579725 176371438 /nfs/dbraw/zinc/37/14/38/176371438.db2.gz HFPNXVCRNNKZCV-OCCSQVGLSA-N 0 3 248.370 2.307 20 10 BECDHN C[C@@H]1[C@@H](C)CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000174963591 177163423 /nfs/dbraw/zinc/16/34/23/177163423.db2.gz NEUDUOIUDCEPGY-VHSXEESVSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]1[C@@H](C)CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000174963591 177163424 /nfs/dbraw/zinc/16/34/24/177163424.db2.gz NEUDUOIUDCEPGY-VHSXEESVSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCCO1 ZINC000180064053 177260422 /nfs/dbraw/zinc/26/04/22/177260422.db2.gz UNDXYICXCHROEC-JTQLQIEISA-N 0 3 239.290 2.142 20 10 BECDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCCO1 ZINC000180064053 177260424 /nfs/dbraw/zinc/26/04/24/177260424.db2.gz UNDXYICXCHROEC-JTQLQIEISA-N 0 3 239.290 2.142 20 10 BECDHN C[C@H]1CSCC[N@@H+]1Cc1ccccc1[O-] ZINC000179575147 177305016 /nfs/dbraw/zinc/30/50/16/177305016.db2.gz YXOASKDNWHDQBA-JTQLQIEISA-N 0 3 223.341 2.330 20 10 BECDHN C[C@H]1CSCC[N@H+]1Cc1ccccc1[O-] ZINC000179575147 177305019 /nfs/dbraw/zinc/30/50/19/177305019.db2.gz YXOASKDNWHDQBA-JTQLQIEISA-N 0 3 223.341 2.330 20 10 BECDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000161304516 177370552 /nfs/dbraw/zinc/37/05/52/177370552.db2.gz IACBNKOVEXWZRD-CMPLNLGQSA-N 0 3 221.300 2.049 20 10 BECDHN Cc1cccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c1[O-] ZINC000529640902 324369894 /nfs/dbraw/zinc/36/98/94/324369894.db2.gz DVEAHSQYKWUBJD-SWLSCSKDSA-N 0 3 247.338 2.358 20 10 BECDHN C[NH2+]C[C@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000854232187 588781608 /nfs/dbraw/zinc/78/16/08/588781608.db2.gz NZUQMHBLVQQNKG-DTWKUNHWSA-N 0 3 242.750 2.304 20 10 BECDHN CNC[C@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000854232187 588781609 /nfs/dbraw/zinc/78/16/09/588781609.db2.gz NZUQMHBLVQQNKG-DTWKUNHWSA-N 0 3 242.750 2.304 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C[C@@H](C)O)C2CC2)cc1C ZINC000848929102 582815488 /nfs/dbraw/zinc/81/54/88/582815488.db2.gz STFUGQZFGKJPBM-GFCCVEGCSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C[C@@H](C)O)C2CC2)cc1C ZINC000848929102 582815491 /nfs/dbraw/zinc/81/54/91/582815491.db2.gz STFUGQZFGKJPBM-GFCCVEGCSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C/C=C\CO)c([O-])c1C ZINC000850510267 582923553 /nfs/dbraw/zinc/92/35/53/582923553.db2.gz WYTGRPFFUNKXHL-QMAVJUDZSA-N 0 3 235.327 2.208 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000857061258 588884916 /nfs/dbraw/zinc/88/49/16/588884916.db2.gz NBBNZIYXJOKPNV-GXTWGEPZSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1 ZINC000857061258 588884917 /nfs/dbraw/zinc/88/49/17/588884917.db2.gz NBBNZIYXJOKPNV-GXTWGEPZSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000877462078 583314401 /nfs/dbraw/zinc/31/44/01/583314401.db2.gz NOBJVSUAZWYRAV-AWEZNQCLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)C(C)(C)C1 ZINC000877462078 583314402 /nfs/dbraw/zinc/31/44/02/583314402.db2.gz NOBJVSUAZWYRAV-AWEZNQCLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H](CO)CC(C)C ZINC000894200250 583336445 /nfs/dbraw/zinc/33/64/45/583336445.db2.gz KMCXGQRKTCBYGL-GFCCVEGCSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[N@@H+](C)C2(CO)CCC2)c([O-])c1 ZINC000877642535 583342008 /nfs/dbraw/zinc/34/20/08/583342008.db2.gz ZPSZKOIPPBWIGM-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+](C)C2(CO)CCC2)c([O-])c1 ZINC000877642535 583342010 /nfs/dbraw/zinc/34/20/10/583342010.db2.gz ZPSZKOIPPBWIGM-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@@H]1CO ZINC000895151504 583606379 /nfs/dbraw/zinc/60/63/79/583606379.db2.gz JZMZNGLDCRNTKS-CYBMUJFWSA-N 0 3 235.327 2.129 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@@H]1CO ZINC000895151504 583606380 /nfs/dbraw/zinc/60/63/80/583606380.db2.gz JZMZNGLDCRNTKS-CYBMUJFWSA-N 0 3 235.327 2.129 20 10 BECDHN c1cc2c(cc1CNC1CSC1)CCCO2 ZINC000895434225 583672676 /nfs/dbraw/zinc/67/26/76/583672676.db2.gz SYUXFKQHWAINMJ-UHFFFAOYSA-N 0 3 235.352 2.217 20 10 BECDHN COC[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000895622995 583697695 /nfs/dbraw/zinc/69/76/95/583697695.db2.gz MUODLDGJTZCQRZ-BJHJDKERSA-N 0 3 235.327 2.215 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847886 583736503 /nfs/dbraw/zinc/73/65/03/583736503.db2.gz XFGQLZLZJZRSCV-DZGCQCFKSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895847886 583736504 /nfs/dbraw/zinc/73/65/04/583736504.db2.gz XFGQLZLZJZRSCV-DZGCQCFKSA-N 0 3 247.338 2.393 20 10 BECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1C=CCC1 ZINC000883238375 583758571 /nfs/dbraw/zinc/75/85/71/583758571.db2.gz ABBZDVYFLOBWER-LLVKDONJSA-N 0 3 233.311 2.457 20 10 BECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1C=CCC1 ZINC000883238376 583758801 /nfs/dbraw/zinc/75/88/01/583758801.db2.gz ABBZDVYFLOBWER-NSHDSACASA-N 0 3 233.311 2.457 20 10 BECDHN C/C=C/C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000858290133 588942224 /nfs/dbraw/zinc/94/22/24/588942224.db2.gz CNOHZPDCNISKQS-HWKANZROSA-N 0 3 221.300 2.457 20 10 BECDHN CN(C)c1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1F ZINC000862441554 583962935 /nfs/dbraw/zinc/96/29/35/583962935.db2.gz SRZZWEOFEFBFAY-TXEJJXNPSA-N 0 3 234.318 2.343 20 10 BECDHN C[C@H](N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[O-] ZINC000902447886 584604501 /nfs/dbraw/zinc/60/45/01/584604501.db2.gz BSXCPXKIEVNXNX-GWCFXTLKSA-N 0 3 234.343 2.041 20 10 BECDHN C[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[O-] ZINC000902447889 584605092 /nfs/dbraw/zinc/60/50/92/584605092.db2.gz BSXCPXKIEVNXNX-ZWNOBZJWSA-N 0 3 234.343 2.041 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CCN2C)c([O-])c1 ZINC000903315890 584749587 /nfs/dbraw/zinc/74/95/87/584749587.db2.gz ABCLAERTGUNCLM-CHWSQXEVSA-N 0 3 248.370 2.364 20 10 BECDHN C[C@H]([NH2+][C@H]1COC[C@@H]1C1CC1)c1ccccc1[O-] ZINC000903438803 584762498 /nfs/dbraw/zinc/76/24/98/584762498.db2.gz XFVABJJJKDFEOU-GDLCADMTSA-N 0 3 247.338 2.468 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCOC1 ZINC000876788593 584886823 /nfs/dbraw/zinc/88/68/23/584886823.db2.gz FSUIVZMJKPJARP-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCOC1 ZINC000876788593 584886824 /nfs/dbraw/zinc/88/68/24/584886824.db2.gz FSUIVZMJKPJARP-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@H]([NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877111419 584890577 /nfs/dbraw/zinc/89/05/77/584890577.db2.gz HKOYKPRKWAAGAM-ZDUSSCGKSA-N 0 3 235.327 2.215 20 10 BECDHN CC[C@@H](CCO)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877110848 584890579 /nfs/dbraw/zinc/89/05/79/584890579.db2.gz FCVQOAHHRAHXGJ-LBPRGKRZSA-N 0 3 237.343 2.199 20 10 BECDHN CC[C@H](NCC[NH2+]C)c1cccc(Cl)c1[O-] ZINC000817953318 584991321 /nfs/dbraw/zinc/99/13/21/584991321.db2.gz ZZDJEOLYBXLUMM-NSHDSACASA-N 0 3 242.750 2.306 20 10 BECDHN CC(C)[C@@H](N)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817958803 584992318 /nfs/dbraw/zinc/99/23/18/584992318.db2.gz MOSQDZNMHZCKBO-SKDRFNHKSA-N 0 3 240.322 2.165 20 10 BECDHN CC(C)[C@@H]([NH3+])CN[C@H](C)c1ccc(F)cc1[O-] ZINC000817958803 584992319 /nfs/dbraw/zinc/99/23/19/584992319.db2.gz MOSQDZNMHZCKBO-SKDRFNHKSA-N 0 3 240.322 2.165 20 10 BECDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000839147298 585092313 /nfs/dbraw/zinc/09/23/13/585092313.db2.gz HKRJNXAONAUWRO-BETUJISGSA-N 0 3 235.327 2.358 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC2(CC(F)C2)C1 ZINC000839139733 585094619 /nfs/dbraw/zinc/09/46/19/585094619.db2.gz KLLQUTVSAPCHDF-UHFFFAOYSA-N 0 3 221.275 2.326 20 10 BECDHN CC[C@@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000742370039 585124947 /nfs/dbraw/zinc/12/49/47/585124947.db2.gz OCWZKUHLPPCUTG-CQSZACIVSA-N 0 3 237.343 2.260 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCN2CC[C@H](C)C2)c1 ZINC000744449782 585150415 /nfs/dbraw/zinc/15/04/15/585150415.db2.gz OKEHYLMFGKAFBR-ZDUSSCGKSA-N 0 3 248.370 2.132 20 10 BECDHN CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756342848 585317933 /nfs/dbraw/zinc/31/79/33/585317933.db2.gz MCPYSGLIHWTREP-RYUDHWBXSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)c([O-])c1C ZINC000756536914 585320607 /nfs/dbraw/zinc/32/06/07/585320607.db2.gz XFNCULUGMBEVPW-QWHCGFSZSA-N 0 3 248.370 2.364 20 10 BECDHN C[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756657254 585322212 /nfs/dbraw/zinc/32/22/12/585322212.db2.gz BWEMGJSXVXUYCO-KHQFGBGNSA-N 0 3 239.290 2.050 20 10 BECDHN C[C@@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756780824 585323019 /nfs/dbraw/zinc/32/30/19/585323019.db2.gz VQRTZBFJSCXPPW-MRTMQBJTSA-N 0 3 239.290 2.050 20 10 BECDHN COc1cc(C[NH+]2CCCC2)c([O-])cc1C ZINC000768438035 585538494 /nfs/dbraw/zinc/53/84/94/585538494.db2.gz ORFSYBCAGYZTOB-UHFFFAOYSA-N 0 3 221.300 2.305 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000768518417 585539631 /nfs/dbraw/zinc/53/96/31/585539631.db2.gz FHYXHEGYJKYZLH-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000768518417 585539632 /nfs/dbraw/zinc/53/96/32/585539632.db2.gz FHYXHEGYJKYZLH-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000768518416 585539663 /nfs/dbraw/zinc/53/96/63/585539663.db2.gz FHYXHEGYJKYZLH-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1 ZINC000768518416 585539664 /nfs/dbraw/zinc/53/96/64/585539664.db2.gz FHYXHEGYJKYZLH-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000769448366 585556918 /nfs/dbraw/zinc/55/69/18/585556918.db2.gz MGPGVCQOYNFPHZ-PHIMTYICSA-N 0 3 235.327 2.489 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000769448366 585556919 /nfs/dbraw/zinc/55/69/19/585556919.db2.gz MGPGVCQOYNFPHZ-PHIMTYICSA-N 0 3 235.327 2.489 20 10 BECDHN C[C@@H]1COCCCN1Cc1ccc(N(C)C)cc1 ZINC000769457714 585557603 /nfs/dbraw/zinc/55/76/03/585557603.db2.gz OZAQGOLMPTZTNC-CYBMUJFWSA-N 0 3 248.370 2.363 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C)C1 ZINC000770511075 585575176 /nfs/dbraw/zinc/57/51/76/585575176.db2.gz YSSXHCJUQCQGNF-AWEZNQCLSA-N 0 3 248.370 2.308 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C)C1 ZINC000770511075 585575177 /nfs/dbraw/zinc/57/51/77/585575177.db2.gz YSSXHCJUQCQGNF-AWEZNQCLSA-N 0 3 248.370 2.308 20 10 BECDHN C[C@@H]([NH2+]CCN1CC[C@H](C)C1)c1ccccc1[O-] ZINC000775130778 585672537 /nfs/dbraw/zinc/67/25/37/585672537.db2.gz OGFBJROGSGCRHT-QWHCGFSZSA-N 0 3 248.370 2.385 20 10 BECDHN Cc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c1[O-] ZINC000775985816 585688863 /nfs/dbraw/zinc/68/88/63/585688863.db2.gz OLOBGHLCSWHDES-QWHCGFSZSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)c1[O-] ZINC000775985816 585688864 /nfs/dbraw/zinc/68/88/64/585688864.db2.gz OLOBGHLCSWHDES-QWHCGFSZSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)c1[O-] ZINC000775987364 585689025 /nfs/dbraw/zinc/68/90/25/585689025.db2.gz VLONYJHUMXWEMV-STQMWFEESA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c1[O-] ZINC000775987364 585689026 /nfs/dbraw/zinc/68/90/26/585689026.db2.gz VLONYJHUMXWEMV-STQMWFEESA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@H](C)O)cc1C ZINC000782979057 585826642 /nfs/dbraw/zinc/82/66/42/585826642.db2.gz NIGLQCUOQQYPRG-RYUDHWBXSA-N 0 3 237.343 2.258 20 10 BECDHN COCC1(N(C)Cc2ccc(N(C)C)cc2)CC1 ZINC000785762891 585880016 /nfs/dbraw/zinc/88/00/16/585880016.db2.gz AERLOSABMWCRLD-UHFFFAOYSA-N 0 3 248.370 2.363 20 10 BECDHN C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000785988378 585884663 /nfs/dbraw/zinc/88/46/63/585884663.db2.gz MPBMLPUDKQYWMZ-MBNYWOFBSA-N 0 3 249.354 2.374 20 10 BECDHN C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[O-] ZINC000785988378 585884664 /nfs/dbraw/zinc/88/46/64/585884664.db2.gz MPBMLPUDKQYWMZ-MBNYWOFBSA-N 0 3 249.354 2.374 20 10 BECDHN C[C@@H]1C[C@H](C)N1Cc1cc2c(cc1O)OCO2 ZINC000793228486 586014886 /nfs/dbraw/zinc/01/48/86/586014886.db2.gz MVULCRKFGCTXHZ-DTORHVGOSA-N 0 3 235.283 2.104 20 10 BECDHN CO[C@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000795749738 586091816 /nfs/dbraw/zinc/09/18/16/586091816.db2.gz IBSNQFFVOPWYRA-LLVKDONJSA-N 0 3 249.354 2.348 20 10 BECDHN CO[C@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000795749738 586091817 /nfs/dbraw/zinc/09/18/17/586091817.db2.gz IBSNQFFVOPWYRA-LLVKDONJSA-N 0 3 249.354 2.348 20 10 BECDHN Cc1cc(CN(C)C2CC(O)C2)ccc1N(C)C ZINC000815092457 586665626 /nfs/dbraw/zinc/66/56/26/586665626.db2.gz HRQFBRXMIJFJEL-UHFFFAOYSA-N 0 3 248.370 2.016 20 10 BECDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cc[nH]c(=O)c1 ZINC000815148363 586670622 /nfs/dbraw/zinc/67/06/22/586670622.db2.gz UQBIOSGYUDLJMT-JTQLQIEISA-N 0 3 244.294 2.344 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CC(C)(C)O)c([O-])c1 ZINC000815578720 586688296 /nfs/dbraw/zinc/68/82/96/586688296.db2.gz USFISWLZGQTJCX-NSHDSACASA-N 0 3 237.343 2.431 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC2)c([O-])c1 ZINC000815598304 586688647 /nfs/dbraw/zinc/68/86/47/586688647.db2.gz RCFMWJLHKLAGMB-CYBMUJFWSA-N 0 3 248.370 2.365 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCOC2)c([O-])c1 ZINC000815597838 586688910 /nfs/dbraw/zinc/68/89/10/586688910.db2.gz HIDXXVKALOVINL-VXGBXAGGSA-N 0 3 235.327 2.449 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000817412093 586802072 /nfs/dbraw/zinc/80/20/72/586802072.db2.gz CUOVPQMIPAVMDU-STQMWFEESA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1 ZINC000817412093 586802073 /nfs/dbraw/zinc/80/20/73/586802073.db2.gz CUOVPQMIPAVMDU-STQMWFEESA-N 0 3 249.354 2.151 20 10 BECDHN C[C@@H]([NH2+]CCCN)c1cc(Cl)ccc1[O-] ZINC000817938186 586844494 /nfs/dbraw/zinc/84/44/94/586844494.db2.gz GLRDDGQVCLTYDT-MRVPVSSYSA-N 0 3 228.723 2.045 20 10 BECDHN CC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(C)cc1[O-] ZINC000817945036 586845800 /nfs/dbraw/zinc/84/58/00/586845800.db2.gz RVYUTJFDYLLQFH-DGCLKSJQSA-N 0 3 234.343 2.103 20 10 BECDHN CC[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(C)cc1[O-] ZINC000817945038 586846239 /nfs/dbraw/zinc/84/62/39/586846239.db2.gz RVYUTJFDYLLQFH-YPMHNXCESA-N 0 3 234.343 2.103 20 10 BECDHN C[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817945276 586846254 /nfs/dbraw/zinc/84/62/54/586846254.db2.gz YTEKTCFRKRMPIL-PSASIEDQSA-N 0 3 240.734 2.058 20 10 BECDHN CC[C@@H]([NH2+]CC(C)(C)N)c1ccccc1[O-] ZINC000817960906 586851226 /nfs/dbraw/zinc/85/12/26/586851226.db2.gz TZXIDJNZGGUQTB-LLVKDONJSA-N 0 3 222.332 2.170 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](N)C(C)C)c1ccccc1[O-] ZINC000817960175 586851877 /nfs/dbraw/zinc/85/18/77/586851877.db2.gz XZDCMESMHJHXHC-CHWSQXEVSA-N 0 3 236.359 2.416 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccccc1[O-] ZINC000817968786 586855906 /nfs/dbraw/zinc/85/59/06/586855906.db2.gz MQYOMPQVVGRZBO-FPMFFAJLSA-N 0 3 248.370 2.431 20 10 BECDHN CC[C@@H](N)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000817979377 586861621 /nfs/dbraw/zinc/86/16/21/586861621.db2.gz JYHQIRZUUXHMFT-ZYHUDNBSSA-N 0 3 222.332 2.170 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824650673 587280771 /nfs/dbraw/zinc/28/07/71/587280771.db2.gz OTMOGWSEPCECRC-LBPRGKRZSA-N 0 3 233.311 2.385 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]1C1CC1 ZINC000824650673 587280773 /nfs/dbraw/zinc/28/07/73/587280773.db2.gz OTMOGWSEPCECRC-LBPRGKRZSA-N 0 3 233.311 2.385 20 10 BECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]1C1CC1)OCO2 ZINC000824649625 587281027 /nfs/dbraw/zinc/28/10/27/587281027.db2.gz DKVCPUYILOTGND-NSHDSACASA-N 0 3 247.294 2.105 20 10 BECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]1C1CC1)OCO2 ZINC000824649625 587281028 /nfs/dbraw/zinc/28/10/28/587281028.db2.gz DKVCPUYILOTGND-NSHDSACASA-N 0 3 247.294 2.105 20 10 BECDHN Oc1cc2c(cc1CN1CC[C@H]1C1CC1)OCO2 ZINC000824649625 587281029 /nfs/dbraw/zinc/28/10/29/587281029.db2.gz DKVCPUYILOTGND-NSHDSACASA-N 0 3 247.294 2.105 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CO)cc1C ZINC000825183900 587308329 /nfs/dbraw/zinc/30/83/29/587308329.db2.gz SDJOJNCUUNRUEV-TZMCWYRMSA-N 0 3 249.354 2.260 20 10 BECDHN Cc1cc(O)c(CN(C)Cc2cnc[nH]2)cc1C ZINC000826769071 587361745 /nfs/dbraw/zinc/36/17/45/587361745.db2.gz HGOUNAVVMKTOHQ-UHFFFAOYSA-N 0 3 245.326 2.364 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1[O-] ZINC000827282440 587375136 /nfs/dbraw/zinc/37/51/36/587375136.db2.gz MJHFVTPGBCOGSZ-UKRRQHHQSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1[O-] ZINC000827282440 587375137 /nfs/dbraw/zinc/37/51/37/587375137.db2.gz MJHFVTPGBCOGSZ-UKRRQHHQSA-N 0 3 247.338 2.169 20 10 BECDHN CCn1nccc1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000827955557 587412862 /nfs/dbraw/zinc/41/28/62/587412862.db2.gz JHMJFWJVFIWDNT-UHFFFAOYSA-N 0 3 249.289 2.038 20 10 BECDHN COC[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835034291 587779415 /nfs/dbraw/zinc/77/94/15/587779415.db2.gz SMSVZFOYIDQQQC-URWSZGRFSA-N 0 3 248.370 2.390 20 10 BECDHN COCCN(C)Cc1ccc(N(C)C)cc1C ZINC000840910911 587929695 /nfs/dbraw/zinc/92/96/95/587929695.db2.gz XAQYLCBCZZBEQI-UHFFFAOYSA-N 0 3 236.359 2.139 20 10 BECDHN COCC[C@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000840955860 587931543 /nfs/dbraw/zinc/93/15/43/587931543.db2.gz YTKRKDLNQUMZJI-JTQLQIEISA-N 0 3 241.306 2.294 20 10 BECDHN COCC[C@@H](C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000840955759 587931555 /nfs/dbraw/zinc/93/15/55/587931555.db2.gz WPVIKPRUUAAQKV-LLVKDONJSA-N 0 3 237.343 2.463 20 10 BECDHN CC(C)[C@@H](N)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841029947 587936426 /nfs/dbraw/zinc/93/64/26/587936426.db2.gz PLOXBVLDDLVWNL-NSHDSACASA-N 0 3 242.750 2.119 20 10 BECDHN CC(C)[C@@H]([NH3+])CNCc1cc(Cl)ccc1[O-] ZINC000841029947 587936427 /nfs/dbraw/zinc/93/64/27/587936427.db2.gz PLOXBVLDDLVWNL-NSHDSACASA-N 0 3 242.750 2.119 20 10 BECDHN CC[NH2+]CCNCc1cc(Cl)cc(C)c1[O-] ZINC000841037667 587937778 /nfs/dbraw/zinc/93/77/78/587937778.db2.gz RQCSMBCBIWCPME-UHFFFAOYSA-N 0 3 242.750 2.053 20 10 BECDHN NC[C@H]([NH2+]Cc1ccccc1[O-])C1CCCCC1 ZINC000841039288 587938716 /nfs/dbraw/zinc/93/87/16/587938716.db2.gz IWPIPEDTPLFWAB-AWEZNQCLSA-N 0 3 248.370 2.389 20 10 BECDHN C[C@@H]([NH3+])[C@@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000841076624 587944102 /nfs/dbraw/zinc/94/41/02/587944102.db2.gz KIKLMZPLUAYGCA-RNFRBKRXSA-N 0 3 246.713 2.010 20 10 BECDHN C[C@@H](N)[C@@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841076624 587944104 /nfs/dbraw/zinc/94/41/04/587944104.db2.gz KIKLMZPLUAYGCA-RNFRBKRXSA-N 0 3 246.713 2.010 20 10 BECDHN C[C@@H]([NH3+])[C@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000841076593 587944281 /nfs/dbraw/zinc/94/42/81/587944281.db2.gz JORFGIJWBWDGDR-RQJHMYQMSA-N 0 3 246.713 2.010 20 10 BECDHN C[C@H]([NH3+])[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000841076622 587944461 /nfs/dbraw/zinc/94/44/61/587944461.db2.gz KIKLMZPLUAYGCA-BQBZGAKWSA-N 0 3 246.713 2.010 20 10 BECDHN C[C@H](N)[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841076622 587944462 /nfs/dbraw/zinc/94/44/62/587944462.db2.gz KIKLMZPLUAYGCA-BQBZGAKWSA-N 0 3 246.713 2.010 20 10 BECDHN CCn1nccc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000845988952 588252565 /nfs/dbraw/zinc/25/25/65/588252565.db2.gz CMYJOBXSTVMHPV-NSHDSACASA-N 0 3 245.326 2.459 20 10 BECDHN COCCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846137391 588258392 /nfs/dbraw/zinc/25/83/92/588258392.db2.gz OWPOZWNQZRLDJB-JTQLQIEISA-N 0 3 239.315 2.088 20 10 BECDHN COC[C@H](C)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846137895 588258570 /nfs/dbraw/zinc/25/85/70/588258570.db2.gz NRMMQKHOLVPCTD-VHSXEESVSA-N 0 3 239.315 2.086 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC000848888166 588415915 /nfs/dbraw/zinc/41/59/15/588415915.db2.gz NSHMXUUIOZUMAJ-HNNXBMFYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC000848888166 588415917 /nfs/dbraw/zinc/41/59/17/588415917.db2.gz NSHMXUUIOZUMAJ-HNNXBMFYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[NH+]2CCC(CO)CC2)c1[O-] ZINC000848881638 588415977 /nfs/dbraw/zinc/41/59/77/588415977.db2.gz RQGYIMCKSPVJJA-UHFFFAOYSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000848899284 588417434 /nfs/dbraw/zinc/41/74/34/588417434.db2.gz MKTGOMIPAGZWHI-CQSZACIVSA-N 0 3 249.354 2.205 20 10 BECDHN CCc1cccc(C[NH2+][C@@H](CCO)C2CC2)c1[O-] ZINC000848896471 588418153 /nfs/dbraw/zinc/41/81/53/588418153.db2.gz BKQYRHDWDOLCQV-AWEZNQCLSA-N 0 3 249.354 2.205 20 10 BECDHN CCc1cccc(CN2CC3(C2)CCOC3)c1O ZINC000848914316 588420144 /nfs/dbraw/zinc/42/01/44/588420144.db2.gz LEDSTSQXTYBMDJ-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN CCc1cccc(C[NH+]2CC3(C2)CCOC3)c1[O-] ZINC000848914316 588420146 /nfs/dbraw/zinc/42/01/46/588420146.db2.gz LEDSTSQXTYBMDJ-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN CCc1cccc(C[N@H+](C)[C@@H](C)CCO)c1[O-] ZINC000848918617 588420668 /nfs/dbraw/zinc/42/06/68/588420668.db2.gz GAIHHRKWEKEPAL-NSHDSACASA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)[C@@H](C)CCO)c1[O-] ZINC000848918617 588420670 /nfs/dbraw/zinc/42/06/70/588420670.db2.gz GAIHHRKWEKEPAL-NSHDSACASA-N 0 3 237.343 2.157 20 10 BECDHN Cc1cccc(C[N@@H+](C[C@H](C)O)C2CC2)c1[O-] ZINC000848929091 588421860 /nfs/dbraw/zinc/42/18/60/588421860.db2.gz SSAUGUZOBVMQQE-NSHDSACASA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@H+](C[C@H](C)O)C2CC2)c1[O-] ZINC000848929091 588421862 /nfs/dbraw/zinc/42/18/62/588421862.db2.gz SSAUGUZOBVMQQE-NSHDSACASA-N 0 3 235.327 2.046 20 10 BECDHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000850360326 588540401 /nfs/dbraw/zinc/54/04/01/588540401.db2.gz HKRJNXAONAUWRO-JOCQHMNTSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1 ZINC000850389054 588542946 /nfs/dbraw/zinc/54/29/46/588542946.db2.gz SLJPMYMLKRDUSK-ZIAGYGMSSA-N 0 3 247.338 2.094 20 10 BECDHN CC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000850528655 588557150 /nfs/dbraw/zinc/55/71/50/588557150.db2.gz JLKRMERUIRRIQD-VXGBXAGGSA-N 0 3 237.343 2.431 20 10 BECDHN C[N@H+](CCOC(F)F)Cc1ccccc1[O-] ZINC000851841148 588634141 /nfs/dbraw/zinc/63/41/41/588634141.db2.gz NIWZAEROOTXRHK-UHFFFAOYSA-N 0 3 231.242 2.063 20 10 BECDHN C[N@@H+](CCOC(F)F)Cc1ccccc1[O-] ZINC000851841148 588634142 /nfs/dbraw/zinc/63/41/42/588634142.db2.gz NIWZAEROOTXRHK-UHFFFAOYSA-N 0 3 231.242 2.063 20 10 BECDHN Cc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)c([O-])c1 ZINC000863545948 589297680 /nfs/dbraw/zinc/29/76/80/589297680.db2.gz CCIPVKDKONKALQ-GMXVVIOVSA-N 0 3 234.343 2.102 20 10 BECDHN Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+][C@H]2C)c([O-])c1 ZINC000863545949 589297943 /nfs/dbraw/zinc/29/79/43/589297943.db2.gz CCIPVKDKONKALQ-NTZNESFSSA-N 0 3 234.343 2.102 20 10 BECDHN Cc1ccc(O)c(CN[C@@H](C)c2ccnn2C)c1 ZINC000865838679 589464313 /nfs/dbraw/zinc/46/43/13/589464313.db2.gz MKNGECWSVINELC-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c([O-])c1C ZINC000866415654 589491941 /nfs/dbraw/zinc/49/19/41/589491941.db2.gz BBOYVTAVFCXREJ-RWMBFGLXSA-N 0 3 249.354 2.431 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(CO)CC2)c1 ZINC000122307400 589577876 /nfs/dbraw/zinc/57/78/76/589577876.db2.gz LGQWTSMEDRHMPG-LLVKDONJSA-N 0 3 235.327 2.124 20 10 BECDHN Cc1cncc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000123207954 589678351 /nfs/dbraw/zinc/67/83/51/589678351.db2.gz HNLOPLWVRFTHRG-UHFFFAOYSA-N 0 3 228.295 2.385 20 10 BECDHN CCCOc1ccc(CN[C@H]2C[C@H](O)C2)cc1C ZINC000873140840 589986023 /nfs/dbraw/zinc/98/60/23/589986023.db2.gz VDZBGWLYNRRULZ-HDJSIYSDSA-N 0 3 249.354 2.397 20 10 BECDHN Cc1cccc(C[NH2+]CCc2cscn2)c1[O-] ZINC000124842529 590093858 /nfs/dbraw/zinc/09/38/58/590093858.db2.gz VQNIEWDOHMNYJL-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN C[N@H+](CCC[C@@H]1CCO1)Cc1ccccc1[O-] ZINC000876616149 590222443 /nfs/dbraw/zinc/22/24/43/590222443.db2.gz TUALWTMKQZEBGH-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@@H+](CCC[C@@H]1CCO1)Cc1ccccc1[O-] ZINC000876616149 590222444 /nfs/dbraw/zinc/22/24/44/590222444.db2.gz TUALWTMKQZEBGH-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCOC[C@H](C)C1 ZINC000876752505 590237900 /nfs/dbraw/zinc/23/79/00/590237900.db2.gz RWVHFYWLPZGVFY-LLVKDONJSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCOC[C@H](C)C1 ZINC000876752505 590237901 /nfs/dbraw/zinc/23/79/01/590237901.db2.gz RWVHFYWLPZGVFY-LLVKDONJSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@](C)(O)C1 ZINC000876758484 590238773 /nfs/dbraw/zinc/23/87/73/590238773.db2.gz GSNXPUHGIJVIFD-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@](C)(O)C1 ZINC000876758484 590238774 /nfs/dbraw/zinc/23/87/74/590238774.db2.gz GSNXPUHGIJVIFD-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+](C)C[C@H]2CCOC2)c([O-])c1 ZINC000876789004 590241049 /nfs/dbraw/zinc/24/10/49/590241049.db2.gz QOWALNGEUBSATC-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCOC2)c([O-])c1 ZINC000876789004 590241051 /nfs/dbraw/zinc/24/10/51/590241051.db2.gz QOWALNGEUBSATC-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000876804920 590244325 /nfs/dbraw/zinc/24/43/25/590244325.db2.gz WCOSTJJWKMPLJR-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000876804920 590244326 /nfs/dbraw/zinc/24/43/26/590244326.db2.gz WCOSTJJWKMPLJR-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCc1ccccn1 ZINC000876886569 590253834 /nfs/dbraw/zinc/25/38/34/590253834.db2.gz XUGQVNNKNFUEDC-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCc1cccnc1 ZINC000876922977 590257842 /nfs/dbraw/zinc/25/78/42/590257842.db2.gz NVULMKMLHRLXLK-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN CO[C@H](C)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876997101 590266955 /nfs/dbraw/zinc/26/69/55/590266955.db2.gz NFYDGKZBXKFTJA-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1CC(n2cccn2)C1 ZINC000876995622 590266983 /nfs/dbraw/zinc/26/69/83/590266983.db2.gz IEICFQWWVBEBLX-UHFFFAOYSA-N 0 3 243.310 2.082 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCN(C3CC3)C2)c([O-])c1 ZINC000877020239 590269877 /nfs/dbraw/zinc/26/98/77/590269877.db2.gz MNEGFNGHNLIROG-ZDUSSCGKSA-N 0 3 246.354 2.027 20 10 BECDHN CC[C@H](C)[C@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877024544 590270291 /nfs/dbraw/zinc/27/02/91/590270291.db2.gz HELYFAVZZDRHOS-SMDDNHRTSA-N 0 3 237.343 2.197 20 10 BECDHN CC[C@H](C)[C@@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877024542 590270341 /nfs/dbraw/zinc/27/03/41/590270341.db2.gz HELYFAVZZDRHOS-FZMZJTMJSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+]CCOCC2CC2)c([O-])c1 ZINC000877026853 590270977 /nfs/dbraw/zinc/27/09/77/590270977.db2.gz GOQRBOLMBHJTEM-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc(C[NH2+]C[C@]2(C)CCOC2)c([O-])c1 ZINC000877039303 590273033 /nfs/dbraw/zinc/27/30/33/590273033.db2.gz JBUJLBOXIRUVGN-AWEZNQCLSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000877056217 590275613 /nfs/dbraw/zinc/27/56/13/590275613.db2.gz QQYAHVYPWMGJOV-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000877056785 590275739 /nfs/dbraw/zinc/27/57/39/590275739.db2.gz WWEMMHYYZQUWCB-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000877070784 590277555 /nfs/dbraw/zinc/27/75/55/590277555.db2.gz VYCZCQIMVSKMCC-QWHCGFSZSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1ccc(C[NH2+]C2CCC(C)(O)CC2)c([O-])c1 ZINC000877075192 590278294 /nfs/dbraw/zinc/27/82/94/590278294.db2.gz KJGHGXDLRYDDMB-UHFFFAOYSA-N 0 3 249.354 2.484 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c([O-])c1 ZINC000877094829 590281933 /nfs/dbraw/zinc/28/19/33/590281933.db2.gz UGLIPNWAKUKLHH-XBXGTLAGSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCCO1 ZINC000877101021 590282756 /nfs/dbraw/zinc/28/27/56/590282756.db2.gz CJUREWNNKGYXJN-CQSZACIVSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+]C2(C)CCOCC2)c([O-])c1 ZINC000877114219 590288012 /nfs/dbraw/zinc/28/80/12/590288012.db2.gz WCHSXZHXIBOSSJ-UHFFFAOYSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000877170189 590295953 /nfs/dbraw/zinc/29/59/53/590295953.db2.gz JNISBZDBHKMHBQ-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000877170189 590295955 /nfs/dbraw/zinc/29/59/55/590295955.db2.gz JNISBZDBHKMHBQ-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN CCOCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000877172144 590296492 /nfs/dbraw/zinc/29/64/92/590296492.db2.gz LFWNCYZEVUDJNS-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CCOCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000877172144 590296493 /nfs/dbraw/zinc/29/64/93/590296493.db2.gz LFWNCYZEVUDJNS-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COC1(C[NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877182983 590298288 /nfs/dbraw/zinc/29/82/88/590298288.db2.gz VYWAJYZHOGIRLI-UHFFFAOYSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[N@@H+]2CCOCC3(CC3)C2)c([O-])c1 ZINC000877194546 590299487 /nfs/dbraw/zinc/29/94/87/590299487.db2.gz QHGBLUVEWMUNJR-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc(C[N@H+]2CCOCC3(CC3)C2)c([O-])c1 ZINC000877194546 590299489 /nfs/dbraw/zinc/29/94/89/590299489.db2.gz QHGBLUVEWMUNJR-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CCOC1 ZINC000877314230 590313311 /nfs/dbraw/zinc/31/33/11/590313311.db2.gz VQXANNCHFISJSA-GFCCVEGCSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@H]2C)c([O-])c1 ZINC000877409688 590324052 /nfs/dbraw/zinc/32/40/52/590324052.db2.gz XZEXVQYYXKPBCQ-QWHCGFSZSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@H+]2CCN(C)[C@@H](C)[C@H]2C)c([O-])c1 ZINC000877409688 590324056 /nfs/dbraw/zinc/32/40/56/590324056.db2.gz XZEXVQYYXKPBCQ-QWHCGFSZSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000877442400 590328610 /nfs/dbraw/zinc/32/86/10/590328610.db2.gz GZFYLHAAZPTXSQ-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877463206 590332136 /nfs/dbraw/zinc/33/21/36/590332136.db2.gz AETVFCWZJRWNBW-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@]1(CO)CCC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877463206 590332139 /nfs/dbraw/zinc/33/21/39/590332139.db2.gz AETVFCWZJRWNBW-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2c(C)cccc2[O-])C1 ZINC000877515393 590345579 /nfs/dbraw/zinc/34/55/79/590345579.db2.gz CSOWDVYNLYSKIM-TXEJJXNPSA-N 0 3 235.327 2.310 20 10 BECDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2c(C)cccc2[O-])C1 ZINC000877515393 590345581 /nfs/dbraw/zinc/34/55/81/590345581.db2.gz CSOWDVYNLYSKIM-TXEJJXNPSA-N 0 3 235.327 2.310 20 10 BECDHN CC[N@H+](Cc1c(C)cccc1[O-])[C@@H]1CCOC1 ZINC000877543502 590351589 /nfs/dbraw/zinc/35/15/89/590351589.db2.gz CLFRYOCGJUVLGG-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN CC[N@@H+](Cc1c(C)cccc1[O-])[C@@H]1CCOC1 ZINC000877543502 590351591 /nfs/dbraw/zinc/35/15/91/590351591.db2.gz CLFRYOCGJUVLGG-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877552534 590355285 /nfs/dbraw/zinc/35/52/85/590355285.db2.gz PTDNBFJFOQPEBY-AWEZNQCLSA-N 0 3 235.327 2.215 20 10 BECDHN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877561388 590360001 /nfs/dbraw/zinc/36/00/01/590360001.db2.gz LWMYCIMVRNTZAJ-KBPBESRZSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877561388 590360004 /nfs/dbraw/zinc/36/00/04/590360004.db2.gz LWMYCIMVRNTZAJ-KBPBESRZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1nocc1CNCc1ccc(C)cc1O ZINC000877563819 590360605 /nfs/dbraw/zinc/36/06/05/590360605.db2.gz RXWYNASTDYYBRS-UHFFFAOYSA-N 0 3 232.283 2.287 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000877576484 590363688 /nfs/dbraw/zinc/36/36/88/590363688.db2.gz LLDHTGDOBALOMA-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000877576484 590363690 /nfs/dbraw/zinc/36/36/90/590363690.db2.gz LLDHTGDOBALOMA-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000877593251 590368650 /nfs/dbraw/zinc/36/86/50/590368650.db2.gz QVXDAGJOGRIRDG-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+]CCCC2(O)CCC2)c([O-])c1 ZINC000877595483 590370149 /nfs/dbraw/zinc/37/01/49/590370149.db2.gz BTECMIGDDIJMQH-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000877631943 590377713 /nfs/dbraw/zinc/37/77/13/590377713.db2.gz WTEHUDNVKPKOPF-UKRRQHHQSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000877631943 590377716 /nfs/dbraw/zinc/37/77/16/590377716.db2.gz WTEHUDNVKPKOPF-UKRRQHHQSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000877637465 590381538 /nfs/dbraw/zinc/38/15/38/590381538.db2.gz ILDOCCFIJZSDMB-QWHCGFSZSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000877637465 590381540 /nfs/dbraw/zinc/38/15/40/590381540.db2.gz ILDOCCFIJZSDMB-QWHCGFSZSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000877638023 590381687 /nfs/dbraw/zinc/38/16/87/590381687.db2.gz RKVOYVSJWOQJDO-KGLIPLIRSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000877638023 590381689 /nfs/dbraw/zinc/38/16/89/590381689.db2.gz RKVOYVSJWOQJDO-KGLIPLIRSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c([O-])c1 ZINC000877640703 590381991 /nfs/dbraw/zinc/38/19/91/590381991.db2.gz QVOFAJNOBQLUCT-DOMZBBRYSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c([O-])c1 ZINC000877640703 590381994 /nfs/dbraw/zinc/38/19/94/590381994.db2.gz QVOFAJNOBQLUCT-DOMZBBRYSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000877637466 590382040 /nfs/dbraw/zinc/38/20/40/590382040.db2.gz ILDOCCFIJZSDMB-STQMWFEESA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000877637466 590382043 /nfs/dbraw/zinc/38/20/43/590382043.db2.gz ILDOCCFIJZSDMB-STQMWFEESA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c([O-])c1 ZINC000877646505 590384269 /nfs/dbraw/zinc/38/42/69/590384269.db2.gz JFYSBXTVUDKAKH-JSGCOSHPSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c([O-])c1 ZINC000877646505 590384272 /nfs/dbraw/zinc/38/42/72/590384272.db2.gz JFYSBXTVUDKAKH-JSGCOSHPSA-N 0 3 249.354 2.151 20 10 BECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877654814 590385312 /nfs/dbraw/zinc/38/53/12/590385312.db2.gz WCHUKAVZYIFRDC-KGLIPLIRSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C2(C)COC2)cc1Cl ZINC000877691511 590393399 /nfs/dbraw/zinc/39/33/99/590393399.db2.gz PFRDOQKGFUYVMT-UHFFFAOYSA-N 0 3 241.718 2.233 20 10 BECDHN COc1ccc(O)c(CN2CC(C)(C)C2)c1 ZINC000877717348 590399272 /nfs/dbraw/zinc/39/92/72/590399272.db2.gz IZSYYUVKXRYLPU-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc(O)c1CN1CC(C)(C)C1 ZINC000877717770 590399778 /nfs/dbraw/zinc/39/97/78/590399778.db2.gz QEFODHCOAQOOFM-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN C[C@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1[O-] ZINC000877758022 590417512 /nfs/dbraw/zinc/41/75/12/590417512.db2.gz DKSBWWKKRHBTNM-GARJFASQSA-N 0 3 221.300 2.220 20 10 BECDHN CC[C@@H](C[C@H](C)O)[NH2+]Cc1c(C)cccc1[O-] ZINC000877779156 590423236 /nfs/dbraw/zinc/42/32/36/590423236.db2.gz ZRJCDRFCURYDAF-RYUDHWBXSA-N 0 3 237.343 2.340 20 10 BECDHN CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877779325 590423450 /nfs/dbraw/zinc/42/34/50/590423450.db2.gz WADHNNMYHJZJNZ-AAEUAGOBSA-N 0 3 237.343 2.340 20 10 BECDHN C[C@H]1OCC[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000878241894 590528071 /nfs/dbraw/zinc/52/80/71/590528071.db2.gz JPZOQRFSRDSPEO-NEPJUHHUSA-N 0 3 235.327 2.249 20 10 BECDHN C[C@H]1OCC[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000878241894 590528072 /nfs/dbraw/zinc/52/80/72/590528072.db2.gz JPZOQRFSRDSPEO-NEPJUHHUSA-N 0 3 235.327 2.249 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccccc1[O-] ZINC000879650279 590843874 /nfs/dbraw/zinc/84/38/74/590843874.db2.gz STVLIJJLGWFINX-WOPDTQHZSA-N 0 3 235.327 2.468 20 10 BECDHN CC[C@@H]1COCCN1Cc1cc(C)ccc1O ZINC000132331924 591702214 /nfs/dbraw/zinc/70/22/14/591702214.db2.gz MOAGNLCHLWNKGE-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccccc1[O-] ZINC000886310280 592205002 /nfs/dbraw/zinc/20/50/02/592205002.db2.gz IKPMUSSJLXFZMN-SLEUVZQESA-N 0 3 247.338 2.469 20 10 BECDHN CC(C)C[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000223660207 592537290 /nfs/dbraw/zinc/53/72/90/592537290.db2.gz OKWOUWRPLFZERB-VXGBXAGGSA-N 0 3 237.343 2.450 20 10 BECDHN CC1(C)COC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000313022149 634439291 /nfs/dbraw/zinc/43/92/91/634439291.db2.gz BBFKOVFXUMRUIF-WCQYABFASA-N 0 3 247.338 2.394 20 10 BECDHN C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1ccccc1[O-] ZINC000309511042 632433704 /nfs/dbraw/zinc/43/37/04/632433704.db2.gz XHOVETKKLXUUAS-NXEZZACHSA-N 0 3 223.316 2.202 20 10 BECDHN CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000158220428 632463413 /nfs/dbraw/zinc/46/34/13/632463413.db2.gz CZYJPRIKNSJMRC-OLZOCXBDSA-N 0 3 235.327 2.439 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CO)c1[O-] ZINC000309367915 632982204 /nfs/dbraw/zinc/98/22/04/632982204.db2.gz BMSMKTYYNNMPJZ-IUCAKERBSA-N 0 3 243.734 2.385 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CO)c1[O-] ZINC000309367913 632982676 /nfs/dbraw/zinc/98/26/76/632982676.db2.gz BMSMKTYYNNMPJZ-BDAKNGLRSA-N 0 3 243.734 2.385 20 10 BECDHN CCC[C@@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000164163021 633072907 /nfs/dbraw/zinc/07/29/07/633072907.db2.gz LWIPXWUTXATGLQ-ZDUSSCGKSA-N 0 3 223.316 2.033 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CC[C@H](O)CC1)CC2 ZINC000311149371 633075611 /nfs/dbraw/zinc/07/56/11/633075611.db2.gz IIBDCDKKMHPWME-JHJVBQTASA-N 0 3 247.338 2.273 20 10 BECDHN C[C@H](CO)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311177206 633080918 /nfs/dbraw/zinc/08/09/18/633080918.db2.gz VHYWGIZAQKGLTQ-WCQYABFASA-N 0 3 249.354 2.378 20 10 BECDHN C[C@H]([NH2+]CC1(O)CCC1)c1cc(F)ccc1[O-] ZINC000168763546 633147508 /nfs/dbraw/zinc/14/75/08/633147508.db2.gz SHYDASOZHQNVMU-VIFPVBQESA-N 0 3 239.290 2.097 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000309505934 633184450 /nfs/dbraw/zinc/18/44/50/633184450.db2.gz NCYGIQSSJGVHND-PJXYFTJBSA-N 0 3 221.275 2.419 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)OC)c1ccccc1[O-] ZINC000182435708 633945315 /nfs/dbraw/zinc/94/53/15/633945315.db2.gz ZPGWMGKMBPIYHN-PWSUYJOCSA-N 0 3 223.316 2.468 20 10 BECDHN CC[C@](C)(C[NH2+]Cc1ccccc1[O-])OC ZINC000322931551 636885267 /nfs/dbraw/zinc/88/52/67/636885267.db2.gz NMKWSEYKFPSXSI-CYBMUJFWSA-N 0 3 223.316 2.297 20 10 BECDHN COc1cccc(O)c1CNC/C=C\Cl ZINC000898436898 637043055 /nfs/dbraw/zinc/04/30/55/637043055.db2.gz WNAHKKLLMBFDCT-UTCJRWHESA-N 0 3 227.691 2.243 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CS1 ZINC000162936146 637229742 /nfs/dbraw/zinc/22/97/42/637229742.db2.gz LLOUFZOOHSVLJM-MWLCHTKSSA-N 0 3 223.341 2.376 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCn2cccn2)c([O-])c1 ZINC000042539110 637277857 /nfs/dbraw/zinc/27/78/57/637277857.db2.gz RFBJBYKQUGVVFS-GFCCVEGCSA-N 0 3 245.326 2.248 20 10 BECDHN CC(C)N1CCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000911659852 639692933 /nfs/dbraw/zinc/69/29/33/639692933.db2.gz FUOWLYWRGZXKIC-ZDUSSCGKSA-N 0 3 247.342 2.080 20 10 BECDHN Cc1ccc(O)c(CNCc2cncs2)c1 ZINC000164724883 640504201 /nfs/dbraw/zinc/50/42/01/640504201.db2.gz ACBYJSXBQVAFPB-UHFFFAOYSA-N 0 3 234.324 2.447 20 10 BECDHN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586622 640777607 /nfs/dbraw/zinc/77/76/07/640777607.db2.gz GLXUHGMXFGJJLW-DGCLKSJQSA-N 0 3 239.290 2.188 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1CCCO1 ZINC000226584332 640778910 /nfs/dbraw/zinc/77/89/10/640778910.db2.gz NZVLHSKCHJGHPH-GFCCVEGCSA-N 0 3 239.290 2.190 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C1CC=CC1 ZINC000226615809 640779985 /nfs/dbraw/zinc/77/99/85/640779985.db2.gz PXRPQRLBYPEMCJ-UHFFFAOYSA-N 0 3 207.248 2.340 20 10 BECDHN C[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCCOC1 ZINC000226626073 640783876 /nfs/dbraw/zinc/78/38/76/640783876.db2.gz KPAFYPCAEPKEBO-CYBMUJFWSA-N 0 3 239.290 2.190 20 10 BECDHN CC(C)n1cncc1C[NH2+]Cc1ccccc1[O-] ZINC000228408967 640873604 /nfs/dbraw/zinc/87/36/04/640873604.db2.gz DYRZQJJAMANGPC-UHFFFAOYSA-N 0 3 245.326 2.459 20 10 BECDHN CC1(C)COC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000313022140 641526647 /nfs/dbraw/zinc/52/66/47/641526647.db2.gz BBFKOVFXUMRUIF-AAEUAGOBSA-N 0 3 247.338 2.394 20 10 BECDHN C[C@@H]1[C@H](C)OCCN1Cc1ccccc1O ZINC000179575416 642725777 /nfs/dbraw/zinc/72/57/77/642725777.db2.gz GFRAFCAIAAKLRZ-MNOVXSKESA-N 0 3 221.300 2.001 20 10 BECDHN C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1[O-] ZINC000183514738 643139172 /nfs/dbraw/zinc/13/91/72/643139172.db2.gz RRSFRYFUHNULQP-SVBLFDIKSA-N 0 3 233.311 2.363 20 10 BECDHN C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccccc1[O-] ZINC000044684218 643548781 /nfs/dbraw/zinc/54/87/81/643548781.db2.gz AJBIFKYLMBZFOV-RYUDHWBXSA-N 0 3 246.354 2.280 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)c([O-])c1 ZINC000087783672 644503069 /nfs/dbraw/zinc/50/30/69/644503069.db2.gz NBJRXGYVCXZMRS-GHMZBOCLSA-N 0 3 221.300 2.140 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2)c([O-])c1 ZINC000087783679 644503819 /nfs/dbraw/zinc/50/38/19/644503819.db2.gz NBJRXGYVCXZMRS-QWRGUYRKSA-N 0 3 221.300 2.140 20 10 BECDHN C[C@@H]([NH2+][C@@H](CO)CC1CC1)c1ccccc1[O-] ZINC000783520183 644756153 /nfs/dbraw/zinc/75/61/53/644756153.db2.gz YWDHYBNNWLKGBQ-ZYHUDNBSSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@@H](C)[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000304065302 644868523 /nfs/dbraw/zinc/86/85/23/644868523.db2.gz SVJPLIPCBCATKU-RISCZKNCSA-N 0 3 237.343 2.279 20 10 BECDHN CC[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccccc1[O-] ZINC000927148378 645571318 /nfs/dbraw/zinc/57/13/18/645571318.db2.gz RDNQDNQMYNGAHF-GVXVVHGQSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCC=CO2)c([O-])c1 ZINC000877459574 645796893 /nfs/dbraw/zinc/79/68/93/645796893.db2.gz LDINSVRGTXTOGA-ZDUSSCGKSA-N 0 3 233.311 2.483 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000877605956 645800949 /nfs/dbraw/zinc/80/09/49/645800949.db2.gz YFPFYLWUZJWOLQ-DOMZBBRYSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000877605956 645800950 /nfs/dbraw/zinc/80/09/50/645800950.db2.gz YFPFYLWUZJWOLQ-DOMZBBRYSA-N 0 3 247.338 2.311 20 10 BECDHN COC/C(C)=C/C[N@H+](C)Cc1ccccc1[O-] ZINC000929976820 646383331 /nfs/dbraw/zinc/38/33/31/646383331.db2.gz QIZZTMBJFBDAPP-XYOKQWHBSA-N 0 3 235.327 2.417 20 10 BECDHN COC/C(C)=C/C[N@@H+](C)Cc1ccccc1[O-] ZINC000929976820 646383335 /nfs/dbraw/zinc/38/33/35/646383335.db2.gz QIZZTMBJFBDAPP-XYOKQWHBSA-N 0 3 235.327 2.417 20 10 BECDHN C[C@H]([NH2+]C[C@](C)(O)C(F)F)c1ccccc1[O-] ZINC000705015436 712121432 /nfs/dbraw/zinc/12/14/32/712121432.db2.gz TUJSCSDMHOOEKF-UFBFGSQYSA-N 0 3 245.269 2.059 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCOC1CCC1 ZINC000390799418 711135148 /nfs/dbraw/zinc/13/51/48/711135148.db2.gz WOXKRQIMUVNXSS-UHFFFAOYSA-N 0 3 221.300 2.051 20 10 BECDHN CC(C)[C@H](CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000394072999 711183149 /nfs/dbraw/zinc/18/31/49/711183149.db2.gz RBMJTNRMCKXPTA-NEPJUHHUSA-N 0 3 237.343 2.307 20 10 BECDHN CC(C)[C@@H](CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000394073004 711183615 /nfs/dbraw/zinc/18/36/15/711183615.db2.gz RBMJTNRMCKXPTA-VXGBXAGGSA-N 0 3 237.343 2.307 20 10 BECDHN C[C@@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2[O-])O1 ZINC000398101167 711400959 /nfs/dbraw/zinc/40/09/59/711400959.db2.gz XFQYKMHOKYEXDP-BXKDBHETSA-N 0 3 239.290 2.188 20 10 BECDHN CN(C)C1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000397826187 711392926 /nfs/dbraw/zinc/39/29/26/711392926.db2.gz BCGXXPCBMKCRDU-LBPRGKRZSA-N 0 3 246.354 2.063 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H](CCO)C1CCCC1 ZINC000725087784 711650857 /nfs/dbraw/zinc/65/08/57/711650857.db2.gz JEJOJMHUODMOGR-CQSZACIVSA-N 0 3 249.354 2.423 20 10 BECDHN Cc1ccc(O)c(CNCc2ccccn2)c1 ZINC000071406183 711898351 /nfs/dbraw/zinc/89/83/51/711898351.db2.gz CGRBXTQSIHXPNH-UHFFFAOYSA-N 0 3 228.295 2.385 20 10 BECDHN C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000701511524 712024883 /nfs/dbraw/zinc/02/48/83/712024883.db2.gz JVRPZALHVGXULD-YPMHNXCESA-N 0 3 235.327 2.439 20 10 BECDHN C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000701511523 712025187 /nfs/dbraw/zinc/02/51/87/712025187.db2.gz JVRPZALHVGXULD-WCQYABFASA-N 0 3 235.327 2.439 20 10 BECDHN CCO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000701660935 712026750 /nfs/dbraw/zinc/02/67/50/712026750.db2.gz FCJNFOIWZXOSLC-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CCC1CC(O)C1)CC2 ZINC000702437271 712053094 /nfs/dbraw/zinc/05/30/94/712053094.db2.gz RRPPLDCGWJNIKT-KGPNIALWSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H](F)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000702641881 712058142 /nfs/dbraw/zinc/05/81/42/712058142.db2.gz OAMFCRFGBIKLNG-QMMMGPOBSA-N 0 3 215.243 2.369 20 10 BECDHN C[C@H]([NH2+]CCOCCF)c1ccccc1[O-] ZINC000702652946 712058631 /nfs/dbraw/zinc/05/86/31/712058631.db2.gz AQXXGSNEENTQDQ-JTQLQIEISA-N 0 3 227.279 2.029 20 10 BECDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1(C)CC1 ZINC000706903495 712160478 /nfs/dbraw/zinc/16/04/78/712160478.db2.gz PIAABCZEGLUWDC-VIFPVBQESA-N 0 3 249.310 2.399 20 10 BECDHN CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000708711643 712197789 /nfs/dbraw/zinc/19/77/89/712197789.db2.gz QHWCMJQBCKUIQG-KGYLQXTDSA-N 0 3 247.338 2.394 20 10 BECDHN CCOCC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000379091650 712369376 /nfs/dbraw/zinc/36/93/76/712369376.db2.gz ABEOMQQHONNIIV-UHFFFAOYSA-N 0 3 241.306 2.436 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC000715476024 712520828 /nfs/dbraw/zinc/52/08/28/712520828.db2.gz ZTAWBPIGAPZWFW-DZGCQCFKSA-N 0 3 247.338 2.439 20 10 BECDHN C[C@H]([NH2+][C@@H](CO)C1CCC1)c1ccccc1[O-] ZINC000717603441 712661914 /nfs/dbraw/zinc/66/19/14/712661914.db2.gz IDXYJAZJAICCAK-GWCFXTLKSA-N 0 3 235.327 2.204 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000720865116 712871141 /nfs/dbraw/zinc/87/11/41/712871141.db2.gz NALIZMQJYBCNRP-OSAQELSMSA-N 0 3 247.338 2.439 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1 ZINC000720865112 712871569 /nfs/dbraw/zinc/87/15/69/712871569.db2.gz NALIZMQJYBCNRP-CORIIIEPSA-N 0 3 247.338 2.439 20 10 BECDHN CC[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000720940720 712881039 /nfs/dbraw/zinc/88/10/39/712881039.db2.gz QYHAXELNEHLPAN-GVXVVHGQSA-N 0 3 235.327 2.204 20 10 BECDHN CCCC[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204271711 966950979 /nfs/dbraw/zinc/95/09/79/966950979.db2.gz CILCVZIUUCLMRY-UHFFFAOYSA-N 0 3 209.289 2.330 20 10 BECDHN CCCC[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204271711 966950983 /nfs/dbraw/zinc/95/09/83/966950983.db2.gz CILCVZIUUCLMRY-UHFFFAOYSA-N 0 3 209.289 2.330 20 10 BECDHN C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccccc1[O-] ZINC001203550122 966932927 /nfs/dbraw/zinc/93/29/27/966932927.db2.gz IMSYQTJBCPEOQD-MWLCHTKSSA-N 0 3 209.264 2.325 20 10 BECDHN C[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccccc1[O-] ZINC001203550122 966932934 /nfs/dbraw/zinc/93/29/34/966932934.db2.gz IMSYQTJBCPEOQD-MWLCHTKSSA-N 0 3 209.264 2.325 20 10 BECDHN Cc1cc(F)cc(CN2CC=CC2)c1O ZINC001238056254 980132026 /nfs/dbraw/zinc/13/20/26/980132026.db2.gz GFLVACCMHZICCS-UHFFFAOYSA-N 0 3 207.248 2.212 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1=CCOCC1)CC2 ZINC000397755146 1169259586 /nfs/dbraw/zinc/25/95/86/1169259586.db2.gz RQMFHQNNEVTTMV-ZDUSSCGKSA-N 0 3 245.322 2.316 20 10 BECDHN C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000721438167 1169650257 /nfs/dbraw/zinc/65/02/57/1169650257.db2.gz NLAHGSRKXRGUAH-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000721438167 1169650262 /nfs/dbraw/zinc/65/02/62/1169650262.db2.gz NLAHGSRKXRGUAH-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCCOCC1)CC2 ZINC001170831131 971950560 /nfs/dbraw/zinc/95/05/60/971950560.db2.gz MQMQYTBHWACYQD-CYBMUJFWSA-N 0 3 247.338 2.319 20 10 BECDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCCOCC1)CC2 ZINC001170831131 971950563 /nfs/dbraw/zinc/95/05/63/971950563.db2.gz MQMQYTBHWACYQD-CYBMUJFWSA-N 0 3 247.338 2.319 20 10 BECDHN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1[O-] ZINC000402111344 956979278 /nfs/dbraw/zinc/97/92/78/956979278.db2.gz DKSBWWKKRHBTNM-OUAUKWLOSA-N 0 3 221.300 2.220 20 10 BECDHN C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000402134051 957056087 /nfs/dbraw/zinc/05/60/87/957056087.db2.gz IBSXDOKOMGCSLT-YWVKMMECSA-N 0 3 239.290 2.359 20 10 BECDHN CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000693868488 959461101 /nfs/dbraw/zinc/46/11/01/959461101.db2.gz SNQAVYHLKHYONO-CYBMUJFWSA-N 0 3 248.370 2.355 20 10 BECDHN Cc1ccc(C[N@@H+](C)C2CCOCC2)c([O-])c1 ZINC001140948310 960743044 /nfs/dbraw/zinc/74/30/44/960743044.db2.gz CYSBXEAGPYCKFN-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+](C)C2CCOCC2)c([O-])c1 ZINC001140948310 960743065 /nfs/dbraw/zinc/74/30/65/960743065.db2.gz CYSBXEAGPYCKFN-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001140948181 960749660 /nfs/dbraw/zinc/74/96/60/960749660.db2.gz WYTLMSJTMFOEMJ-DOMZBBRYSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001140948181 960749678 /nfs/dbraw/zinc/74/96/78/960749678.db2.gz WYTLMSJTMFOEMJ-DOMZBBRYSA-N 0 3 249.354 2.293 20 10 BECDHN COc1cc(O)c(CN2CC[C@H]2C)c(OC)c1 ZINC001141032237 960824456 /nfs/dbraw/zinc/82/44/56/960824456.db2.gz WVBIGOJIKYHNNC-SECBINFHSA-N 0 3 237.299 2.004 20 10 BECDHN C[C@H]1C[C@@H](CF)N(Cc2cc(O)ccc2O)C1 ZINC001141156564 960892117 /nfs/dbraw/zinc/89/21/17/960892117.db2.gz NHMIWFXCJSPHSW-ONGXEEELSA-N 0 3 239.290 2.278 20 10 BECDHN C[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000699773176 966082597 /nfs/dbraw/zinc/08/25/97/966082597.db2.gz GBBZOVUWLIHJKY-USWWRNFRSA-N 0 3 233.311 2.004 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@@H]2C)c([O-])c1 ZINC000699792842 966094496 /nfs/dbraw/zinc/09/44/96/966094496.db2.gz WQFWIVPRKBGYTL-GVXVVHGQSA-N 0 3 235.327 2.386 20 10 BECDHN CC[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccccc1[O-] ZINC000699791435 966096842 /nfs/dbraw/zinc/09/68/42/966096842.db2.gz UBPVMSQMHOAREI-KGYLQXTDSA-N 0 3 235.327 2.468 20 10 BECDHN [O-]c1ccccc1C[N@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001203550233 966676217 /nfs/dbraw/zinc/67/62/17/966676217.db2.gz NKPPXCQMIPUWGS-MNOVXSKESA-N 0 3 239.265 2.479 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2[C@H](CC2(F)F)C1 ZINC001203550233 966676231 /nfs/dbraw/zinc/67/62/31/966676231.db2.gz NKPPXCQMIPUWGS-MNOVXSKESA-N 0 3 239.265 2.479 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001203550028 966679306 /nfs/dbraw/zinc/67/93/06/966679306.db2.gz FUBRDBXLUICSAR-AWEZNQCLSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001203550028 966679310 /nfs/dbraw/zinc/67/93/10/966679310.db2.gz FUBRDBXLUICSAR-AWEZNQCLSA-N 0 3 233.311 2.147 20 10 BECDHN C[C@]1(O)CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550402 966681007 /nfs/dbraw/zinc/68/10/07/966681007.db2.gz VIBMJCFABFCQTR-AWEZNQCLSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@]1(O)CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550402 966681016 /nfs/dbraw/zinc/68/10/16/966681016.db2.gz VIBMJCFABFCQTR-AWEZNQCLSA-N 0 3 235.327 2.129 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203556714 966690250 /nfs/dbraw/zinc/69/02/50/966690250.db2.gz UZOOILUGTOHRMH-SDDRHHMPSA-N 0 3 221.275 2.325 20 10 BECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001203556714 966690255 /nfs/dbraw/zinc/69/02/55/966690255.db2.gz UZOOILUGTOHRMH-SDDRHHMPSA-N 0 3 221.275 2.325 20 10 BECDHN Oc1ccc(CN2CCC(F)(F)CC2)c(O)c1 ZINC001204273000 966951769 /nfs/dbraw/zinc/95/17/69/966951769.db2.gz VYADASDIKSTAKF-UHFFFAOYSA-N 0 3 243.253 2.329 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001203558679 967020570 /nfs/dbraw/zinc/02/05/70/967020570.db2.gz UZOOILUGTOHRMH-SRVKXCTJSA-N 0 3 221.275 2.325 20 10 BECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001203558679 967020576 /nfs/dbraw/zinc/02/05/76/967020576.db2.gz UZOOILUGTOHRMH-SRVKXCTJSA-N 0 3 221.275 2.325 20 10 BECDHN CC[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000711231930 968004236 /nfs/dbraw/zinc/00/42/36/968004236.db2.gz NVMFKNGSDVFTTH-RYUDHWBXSA-N 0 3 221.300 2.049 20 10 BECDHN CCCC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252093935 968571563 /nfs/dbraw/zinc/57/15/63/968571563.db2.gz KQRDYWZJIOHDAY-CYBMUJFWSA-N 0 3 249.354 2.301 20 10 BECDHN CCCC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252093935 968571570 /nfs/dbraw/zinc/57/15/70/968571570.db2.gz KQRDYWZJIOHDAY-CYBMUJFWSA-N 0 3 249.354 2.301 20 10 BECDHN COC1CC(C[N@@H+]2Cc3cccc([O-])c3C2)C1 ZINC001207242645 968689046 /nfs/dbraw/zinc/68/90/46/968689046.db2.gz DQTAXGYDFICCCU-UHFFFAOYSA-N 0 3 233.311 2.133 20 10 BECDHN COC1CC(C[N@H+]2Cc3cccc([O-])c3C2)C1 ZINC001207242645 968689049 /nfs/dbraw/zinc/68/90/49/968689049.db2.gz DQTAXGYDFICCCU-UHFFFAOYSA-N 0 3 233.311 2.133 20 10 BECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCOC1 ZINC000401592652 970708402 /nfs/dbraw/zinc/70/84/02/970708402.db2.gz XUFGUFACOVPNDR-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCCOC1 ZINC000401592652 970708413 /nfs/dbraw/zinc/70/84/13/970708413.db2.gz XUFGUFACOVPNDR-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CO1 ZINC000402055474 970759463 /nfs/dbraw/zinc/75/94/63/970759463.db2.gz RDOZBQMQHBNPJM-ADEWGFFLSA-N 0 3 233.311 2.147 20 10 BECDHN CCOCC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172411522 974676043 /nfs/dbraw/zinc/67/60/43/974676043.db2.gz MWVCDOXLTFNUIS-SNVBAGLBSA-N 0 3 239.315 2.003 20 10 BECDHN C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000721437578 976798912 /nfs/dbraw/zinc/79/89/12/976798912.db2.gz NLAHGSRKXRGUAH-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000721437578 976798929 /nfs/dbraw/zinc/79/89/29/976798929.db2.gz NLAHGSRKXRGUAH-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN CC(=O)c1cccc(O)c1Nc1ccncc1C ZINC001174539323 976827443 /nfs/dbraw/zinc/82/74/43/976827443.db2.gz CCFLECDDADCNFJ-UHFFFAOYSA-N 0 3 242.278 2.464 20 10 BECDHN Cc1c([C@@H](C)NCc2ccc(N)cc2)cnn1C ZINC001337837557 978519425 /nfs/dbraw/zinc/51/94/25/978519425.db2.gz CENIZNGQROYMKK-SNVBAGLBSA-N 0 3 244.342 2.162 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236784763 979733075 /nfs/dbraw/zinc/73/30/75/979733075.db2.gz ZVLNMPUGRBXFCG-FZMZJTMJSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236784763 979733089 /nfs/dbraw/zinc/73/30/89/979733089.db2.gz ZVLNMPUGRBXFCG-FZMZJTMJSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001236784400 979733720 /nfs/dbraw/zinc/73/37/20/979733720.db2.gz WGTYJVLJOZJNCO-IAQYHMDHSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001236784400 979733729 /nfs/dbraw/zinc/73/37/29/979733729.db2.gz WGTYJVLJOZJNCO-IAQYHMDHSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001236792763 979736999 /nfs/dbraw/zinc/73/69/99/979736999.db2.gz QZLMODLDZBCSQE-CYBMUJFWSA-N 0 3 247.338 2.366 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001236792763 979737007 /nfs/dbraw/zinc/73/70/07/979737007.db2.gz QZLMODLDZBCSQE-CYBMUJFWSA-N 0 3 247.338 2.366 20 10 BECDHN [O-]c1cc2ccccc2cc1C[N@H+]1CC[C@@H](O)C1 ZINC001236826834 979746004 /nfs/dbraw/zinc/74/60/04/979746004.db2.gz NXTHQVAOTKCMQY-CQSZACIVSA-N 0 3 243.306 2.112 20 10 BECDHN [O-]c1cc2ccccc2cc1C[N@@H+]1CC[C@@H](O)C1 ZINC001236826834 979746014 /nfs/dbraw/zinc/74/60/14/979746014.db2.gz NXTHQVAOTKCMQY-CQSZACIVSA-N 0 3 243.306 2.112 20 10 BECDHN O=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]12 ZINC001203561984 979795302 /nfs/dbraw/zinc/79/53/02/979795302.db2.gz AIXHIHUOTBTOQK-DGCLKSJQSA-N 0 3 245.322 2.193 20 10 BECDHN O=C1CCC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]12 ZINC001203561984 979795315 /nfs/dbraw/zinc/79/53/15/979795315.db2.gz AIXHIHUOTBTOQK-DGCLKSJQSA-N 0 3 245.322 2.193 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C)[C@@H]1CO ZINC001237486209 979909173 /nfs/dbraw/zinc/90/91/73/979909173.db2.gz XYZCKJQSGISREA-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC001237486209 979909166 /nfs/dbraw/zinc/90/91/66/979909166.db2.gz XYZCKJQSGISREA-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC001237486210 979909440 /nfs/dbraw/zinc/90/94/40/979909440.db2.gz XYZCKJQSGISREA-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C)[C@@H]1CO ZINC001237486210 979909444 /nfs/dbraw/zinc/90/94/44/979909444.db2.gz XYZCKJQSGISREA-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001237486242 979910116 /nfs/dbraw/zinc/91/01/16/979910116.db2.gz ZKXIUOMILAIBOL-SWLSCSKDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(O)[C@@H](C)C1 ZINC001237486242 979910125 /nfs/dbraw/zinc/91/01/25/979910125.db2.gz ZKXIUOMILAIBOL-SWLSCSKDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(O)c1CN1CCOCC1(C)C ZINC001237489022 979919954 /nfs/dbraw/zinc/91/99/54/979919954.db2.gz CNFVUWPKVQSXPR-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cc(F)cc(CN2CC(C)C2)c1O ZINC001238059065 980123071 /nfs/dbraw/zinc/12/30/71/980123071.db2.gz ZTAWIKHOGDXFIE-UHFFFAOYSA-N 0 3 209.264 2.291 20 10 BECDHN Cc1cc(F)cc(CN2CCCOCC2)c1O ZINC001238056211 980132150 /nfs/dbraw/zinc/13/21/50/980132150.db2.gz FNBWKOVYJLWYAF-UHFFFAOYSA-N 0 3 239.290 2.062 20 10 BECDHN Cn1ccc2c1ccnc2C1=CCCN(C)C1 ZINC001241565202 982807330 /nfs/dbraw/zinc/80/73/30/982807330.db2.gz HCJLDBDLIVTHBZ-UHFFFAOYSA-N 0 3 227.311 2.292 20 10 BECDHN CCCC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001252107874 983661283 /nfs/dbraw/zinc/66/12/83/983661283.db2.gz JNAXWTSYZGLYBZ-LBPRGKRZSA-N 0 3 223.316 2.033 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1COC2(CCC2)C1 ZINC000688266540 985594186 /nfs/dbraw/zinc/59/41/86/985594186.db2.gz FHTVORSHUPRFIU-GFCCVEGCSA-N 0 3 233.311 2.193 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1(CO)CC1 ZINC000696129675 987337991 /nfs/dbraw/zinc/33/79/91/987337991.db2.gz BZERZOXJZYFNQO-ZYHUDNBSSA-N 0 3 247.338 2.130 20 10 BECDHN CCC[NH2+]CCNCc1c([O-])cccc1Cl ZINC001326076607 989366928 /nfs/dbraw/zinc/36/69/28/989366928.db2.gz QCPFMIDULNJVTJ-UHFFFAOYSA-N 0 3 242.750 2.135 20 10 BECDHN CCC[N@H+](CCOC)Cc1cc(F)ccc1[O-] ZINC001140053081 991507875 /nfs/dbraw/zinc/50/78/75/991507875.db2.gz OCFOKHHYWSYERZ-UHFFFAOYSA-N 0 3 241.306 2.390 20 10 BECDHN CCC[N@@H+](CCOC)Cc1cc(F)ccc1[O-] ZINC001140053081 991507887 /nfs/dbraw/zinc/50/78/87/991507887.db2.gz OCFOKHHYWSYERZ-UHFFFAOYSA-N 0 3 241.306 2.390 20 10 BECDHN Cc1ccc(C)c(CN2CCCC23COC3)c1O ZINC001140182227 991557812 /nfs/dbraw/zinc/55/78/12/991557812.db2.gz LJOLVAWLIMKRIR-UHFFFAOYSA-N 0 3 247.338 2.374 20 10 BECDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000289467616 178063826 /nfs/dbraw/zinc/06/38/26/178063826.db2.gz PBTQUISPFWMFSO-SECBINFHSA-N 0 3 243.734 2.167 20 10 BECDHN Cc1cc(Cl)cc(C[N@H+](C)[C@H](C)CO)c1[O-] ZINC000289467616 178063830 /nfs/dbraw/zinc/06/38/30/178063830.db2.gz PBTQUISPFWMFSO-SECBINFHSA-N 0 3 243.734 2.167 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)cc1C ZINC000180866727 178195609 /nfs/dbraw/zinc/19/56/09/178195609.db2.gz IYXIAGKTSKGXQK-OLZOCXBDSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)cc1C ZINC000180866727 178195611 /nfs/dbraw/zinc/19/56/11/178195611.db2.gz IYXIAGKTSKGXQK-OLZOCXBDSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCOC2)cc1C ZINC000106858164 178196115 /nfs/dbraw/zinc/19/61/15/178196115.db2.gz JQRMNLYTQZHKAB-CYBMUJFWSA-N 0 3 235.327 2.230 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCOC2)cc1C ZINC000106858164 178196117 /nfs/dbraw/zinc/19/61/17/178196117.db2.gz JQRMNLYTQZHKAB-CYBMUJFWSA-N 0 3 235.327 2.230 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)cc1C ZINC000180866746 178196395 /nfs/dbraw/zinc/19/63/95/178196395.db2.gz IYXIAGKTSKGXQK-CHWSQXEVSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)cc1C ZINC000180866746 178196396 /nfs/dbraw/zinc/19/63/96/178196396.db2.gz IYXIAGKTSKGXQK-CHWSQXEVSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1C ZINC000280404123 178196799 /nfs/dbraw/zinc/19/67/99/178196799.db2.gz HJXBJFRIONOYMP-AWEZNQCLSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C(C)(C)C2)cc1C ZINC000280404123 178196800 /nfs/dbraw/zinc/19/68/00/178196800.db2.gz HJXBJFRIONOYMP-AWEZNQCLSA-N 0 3 249.354 2.212 20 10 BECDHN CC[C@H](O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297079995 343988864 /nfs/dbraw/zinc/98/88/64/343988864.db2.gz WSEJBNMZLQWFFV-RYUDHWBXSA-N 0 3 235.327 2.130 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)O)c1 ZINC000083461146 398282370 /nfs/dbraw/zinc/28/23/70/398282370.db2.gz XWFFYJVJDBYLFC-JTQLQIEISA-N 0 3 223.316 2.122 20 10 BECDHN CCC(CC)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879052 168389704 /nfs/dbraw/zinc/38/97/04/168389704.db2.gz AOZBJLQGNIODCU-UHFFFAOYSA-N 0 3 237.299 2.399 20 10 BECDHN C[C@@H]([NH2+]CCCn1cccn1)c1ccccc1[O-] ZINC000136420399 398342339 /nfs/dbraw/zinc/34/23/39/398342339.db2.gz FEBHKPYEGRJDJR-GFCCVEGCSA-N 0 3 245.326 2.330 20 10 BECDHN CC(C)N1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000020189047 342975857 /nfs/dbraw/zinc/97/58/57/342975857.db2.gz JWDJLWIDUKYVJI-UHFFFAOYSA-N 0 3 248.370 2.355 20 10 BECDHN C[C@H](Cn1cccn1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037155771 343337324 /nfs/dbraw/zinc/33/73/24/343337324.db2.gz IKHXLZBOOKRLPN-VXGBXAGGSA-N 0 3 245.326 2.328 20 10 BECDHN Cc1ccc([O-])c2c1[C@@H](C)C[C@@H]2[NH2+]CCN(C)C ZINC000021968369 178805046 /nfs/dbraw/zinc/80/50/46/178805046.db2.gz DIZVRCMDNBKRSC-RYUDHWBXSA-N 0 3 248.370 2.400 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000185829877 178803184 /nfs/dbraw/zinc/80/31/84/178803184.db2.gz VZUTYJGDMCUPHN-FRRDWIJNSA-N 0 3 247.338 2.288 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCC[C@@H]1O ZINC000089912284 345565675 /nfs/dbraw/zinc/56/56/75/345565675.db2.gz LCQSRMMAEFABKW-OCCSQVGLSA-N 0 3 235.327 2.128 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCC[C@@H]1O ZINC000089912284 345565678 /nfs/dbraw/zinc/56/56/78/345565678.db2.gz LCQSRMMAEFABKW-OCCSQVGLSA-N 0 3 235.327 2.128 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H]2CCOC2)c1 ZINC000093840259 537969563 /nfs/dbraw/zinc/96/95/63/537969563.db2.gz PHBBMDNMPYWIJZ-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H]2CCOC2)c1 ZINC000093840259 537969567 /nfs/dbraw/zinc/96/95/67/537969567.db2.gz PHBBMDNMPYWIJZ-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000180623975 179066996 /nfs/dbraw/zinc/06/69/96/179066996.db2.gz FOGCVITZBZCKLK-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@@H+](C)C[C@@H]2CCOC2)c1[O-] ZINC000180623975 179067000 /nfs/dbraw/zinc/06/70/00/179067000.db2.gz FOGCVITZBZCKLK-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@](C)(O)CC2)c1[O-] ZINC000279713693 179075951 /nfs/dbraw/zinc/07/59/51/179075951.db2.gz SVEHVORUJIDYKR-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@](C)(O)CC2)c1[O-] ZINC000279713693 179075953 /nfs/dbraw/zinc/07/59/53/179075953.db2.gz SVEHVORUJIDYKR-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[NH2+]CCC(C)(C)CO)c1[O-] ZINC000294900819 179090144 /nfs/dbraw/zinc/09/01/44/179090144.db2.gz XEZUPNFWRUZYDV-UHFFFAOYSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1nnsc1CNCc1cccc(C)c1O ZINC000292784187 179095771 /nfs/dbraw/zinc/09/57/71/179095771.db2.gz LVGKPTQRGJYNST-UHFFFAOYSA-N 0 3 249.339 2.150 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c1[O-] ZINC000190303551 179101239 /nfs/dbraw/zinc/10/12/39/179101239.db2.gz OXYIWWGLQNWCHJ-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCSC2)c1[O-] ZINC000224888962 179101935 /nfs/dbraw/zinc/10/19/35/179101935.db2.gz DCAWCGLOYWPWAI-NSHDSACASA-N 0 3 223.341 2.296 20 10 BECDHN CC[NH+](CC)Cc1cccc(OC)c1[O-] ZINC000004690821 346606009 /nfs/dbraw/zinc/60/60/09/346606009.db2.gz ZAUPPDPXJKJGKW-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN CC[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccccc1[O-] ZINC000168723269 346741793 /nfs/dbraw/zinc/74/17/93/346741793.db2.gz PQKSKGXSRNBRPX-WCQYABFASA-N 0 3 236.359 2.383 20 10 BECDHN CC(C)(CCO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297507053 188282845 /nfs/dbraw/zinc/28/28/45/188282845.db2.gz CHVSNTMHSDNRFQ-GFCCVEGCSA-N 0 3 249.354 2.378 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CC[C@H](O)CC2)c1[O-] ZINC000252761267 188369800 /nfs/dbraw/zinc/36/98/00/188369800.db2.gz XOIMHRWSCLRDJA-JOCQHMNTSA-N 0 3 235.327 2.094 20 10 BECDHN CC(C)C[C@@H](CO)[N@H+](C)Cc1ccccc1[O-] ZINC000290375641 188389419 /nfs/dbraw/zinc/38/94/19/188389419.db2.gz HTZXTMQXLXVTKL-ZDUSSCGKSA-N 0 3 237.343 2.231 20 10 BECDHN CC(C)C[C@@H](CO)[N@@H+](C)Cc1ccccc1[O-] ZINC000290375641 188389422 /nfs/dbraw/zinc/38/94/22/188389422.db2.gz HTZXTMQXLXVTKL-ZDUSSCGKSA-N 0 3 237.343 2.231 20 10 BECDHN CC1(C)[C@@H]([NH2+]Cc2ccccc2[O-])[C@H]2CCO[C@@H]21 ZINC000134994603 364421784 /nfs/dbraw/zinc/42/17/84/364421784.db2.gz AVXKSXVKZQUNDO-XBFCOCLRSA-N 0 3 247.338 2.295 20 10 BECDHN [O-]c1cc(O)ccc1C[NH2+]C1CCCC1 ZINC000019883382 183268417 /nfs/dbraw/zinc/26/84/17/183268417.db2.gz BFZLKRMJTDJLHF-UHFFFAOYSA-N 0 3 207.273 2.130 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCOC1 ZINC000180501713 183275059 /nfs/dbraw/zinc/27/50/59/183275059.db2.gz GCDYDMAHZQPKGR-JTQLQIEISA-N 0 3 239.290 2.048 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+]CCC1CC1)OCO2 ZINC000088455111 183260580 /nfs/dbraw/zinc/26/05/80/183260580.db2.gz PYNYFLMXIACVMF-UHFFFAOYSA-N 0 3 235.283 2.011 20 10 BECDHN CCC[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000171603621 169175959 /nfs/dbraw/zinc/17/59/59/169175959.db2.gz NKBYKBWIZZQZKN-UHFFFAOYSA-N 0 3 249.310 2.495 20 10 BECDHN CCC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000171603621 169175961 /nfs/dbraw/zinc/17/59/61/169175961.db2.gz NKBYKBWIZZQZKN-UHFFFAOYSA-N 0 3 249.310 2.495 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)CC2 ZINC000296294931 183298959 /nfs/dbraw/zinc/29/89/59/183298959.db2.gz DIRAZGAHBKMXAR-RAIGVLPGSA-N 0 3 247.338 2.130 20 10 BECDHN Oc1ccccc1CN1CCOC2(CCC2)C1 ZINC000179579604 183301453 /nfs/dbraw/zinc/30/14/53/183301453.db2.gz PUDBPACCXBKMBG-UHFFFAOYSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC000375308563 183302136 /nfs/dbraw/zinc/30/21/36/183302136.db2.gz JBFPSKYYGONZQN-AWEZNQCLSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC000375308563 183302141 /nfs/dbraw/zinc/30/21/41/183302141.db2.gz JBFPSKYYGONZQN-AWEZNQCLSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361050125 183302226 /nfs/dbraw/zinc/30/22/26/183302226.db2.gz FUQBVQJKWDANNP-JSGCOSHPSA-N 0 3 247.338 2.251 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000361050125 183302228 /nfs/dbraw/zinc/30/22/28/183302228.db2.gz FUQBVQJKWDANNP-JSGCOSHPSA-N 0 3 247.338 2.251 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCSC1 ZINC000224479327 183302962 /nfs/dbraw/zinc/30/29/62/183302962.db2.gz YIRIQMKLQCWJAZ-SNVBAGLBSA-N 0 3 223.341 2.235 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCN1CCCCCC1 ZINC000040767104 183303277 /nfs/dbraw/zinc/30/32/77/183303277.db2.gz CFEVPURBKASNGE-UHFFFAOYSA-N 0 3 248.370 2.358 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CCCCO1 ZINC000227339857 183303497 /nfs/dbraw/zinc/30/34/97/183303497.db2.gz VAWBIFHQNNAVOF-CYBMUJFWSA-N 0 3 235.327 2.441 20 10 BECDHN CCCN1CCN(Cc2cccc(C)c2O)CC1 ZINC000124501376 169203593 /nfs/dbraw/zinc/20/35/93/169203593.db2.gz ZSTHQFCGEPLUDO-UHFFFAOYSA-N 0 3 248.370 2.228 20 10 BECDHN c1cc(CNC[C@@H]2CCCCO2)cc2c1OCC2 ZINC000042817396 183368574 /nfs/dbraw/zinc/36/85/74/183368574.db2.gz KRJAJLKFGDJZNK-AWEZNQCLSA-N 0 3 247.338 2.280 20 10 BECDHN C[N@H+](CCc1ccccn1)Cc1ccccc1[O-] ZINC000111235558 383841941 /nfs/dbraw/zinc/84/19/41/383841941.db2.gz LDLOLWHSQNXUMS-UHFFFAOYSA-N 0 3 242.322 2.462 20 10 BECDHN C[N@@H+](CCc1ccccn1)Cc1ccccc1[O-] ZINC000111235558 383841946 /nfs/dbraw/zinc/84/19/46/383841946.db2.gz LDLOLWHSQNXUMS-UHFFFAOYSA-N 0 3 242.322 2.462 20 10 BECDHN CCOCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000036228266 383887525 /nfs/dbraw/zinc/88/75/25/383887525.db2.gz LDQUMZUUIPNGSF-LLVKDONJSA-N 0 3 223.316 2.388 20 10 BECDHN CCOCC[NH2+][C@H](CC)c1ccccc1[O-] ZINC000036228768 383891458 /nfs/dbraw/zinc/89/14/58/383891458.db2.gz JSCRYELUYRVLQM-GFCCVEGCSA-N 0 3 223.316 2.469 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C2CCN(C)CC2)c([O-])c1 ZINC000037267034 383967179 /nfs/dbraw/zinc/96/71/79/383967179.db2.gz MOZXYDWHKIDEHJ-GFCCVEGCSA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCOC2)c([O-])c1 ZINC000037738309 384004143 /nfs/dbraw/zinc/00/41/43/384004143.db2.gz XXDJJSLLWFPMSY-NWDGAFQWSA-N 0 3 235.327 2.388 20 10 BECDHN CN(C)c1ccc(CNCc2cc[nH]c2)cc1 ZINC000090994284 384088971 /nfs/dbraw/zinc/08/89/71/384088971.db2.gz SNAVMJMTPJLZCF-UHFFFAOYSA-N 0 3 229.327 2.371 20 10 BECDHN CCCC[NH2+]Cc1ccc(OC)cc1[O-] ZINC000040905685 384169928 /nfs/dbraw/zinc/16/99/28/384169928.db2.gz CRPCJNBGNYMZPA-UHFFFAOYSA-N 0 3 209.289 2.291 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCn2ccnc2)c1 ZINC000041119484 384179869 /nfs/dbraw/zinc/17/98/69/384179869.db2.gz BXUBPXYGABALAU-GFCCVEGCSA-N 0 3 245.326 2.248 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCO)c1 ZINC000132491804 384233671 /nfs/dbraw/zinc/23/36/71/384233671.db2.gz NJYIWONJCORPHW-WDEREUQCSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCCOC1)c1cc(F)ccc1[O-] ZINC000094618207 384306766 /nfs/dbraw/zinc/30/67/66/384306766.db2.gz JCDJZNORIKRTPK-GXSJLCMTSA-N 0 3 239.290 2.361 20 10 BECDHN C[C@H]([NH2+]CCCN(C)C)c1cc(F)ccc1[O-] ZINC000094616751 384307291 /nfs/dbraw/zinc/30/72/91/384307291.db2.gz KMOUENHSKWHSQZ-JTQLQIEISA-N 0 3 240.322 2.134 20 10 BECDHN COC[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618020 384308056 /nfs/dbraw/zinc/30/80/56/384308056.db2.gz DTYRLMUKTXIPSO-NXEZZACHSA-N 0 3 241.306 2.464 20 10 BECDHN Cc1n[nH]c(C)c1CN(C)Cc1ccccc1O ZINC000120073151 384326091 /nfs/dbraw/zinc/32/60/91/384326091.db2.gz IAFNXQMDIQAGPG-UHFFFAOYSA-N 0 3 245.326 2.364 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CO)c([O-])c1C ZINC000134914055 384397197 /nfs/dbraw/zinc/39/71/97/384397197.db2.gz JTHYPPRAYPZDCP-MWLCHTKSSA-N 0 3 223.316 2.040 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)CCO)c1ccccc1[O-] ZINC000097439799 384519547 /nfs/dbraw/zinc/51/95/47/384519547.db2.gz CMGLHKWDOIOEOF-WCQYABFASA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CCO)c1 ZINC000097436268 384520791 /nfs/dbraw/zinc/52/07/91/384520791.db2.gz LLYJCXDCVARJDR-NWDGAFQWSA-N 0 3 237.343 2.370 20 10 BECDHN CCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020088141 384574134 /nfs/dbraw/zinc/57/41/34/384574134.db2.gz WRYCPTUUSRDAGD-UHFFFAOYSA-N 0 3 209.289 2.291 20 10 BECDHN COCC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000081709147 384627475 /nfs/dbraw/zinc/62/74/75/384627475.db2.gz SIGQKMDUYLHTPP-QWRGUYRKSA-N 0 3 223.316 2.468 20 10 BECDHN CC[C@@H]([NH2+][C@@H](CC)CO)c1ccccc1[O-] ZINC000020195457 384593968 /nfs/dbraw/zinc/59/39/68/384593968.db2.gz FYWKMVXDQYQHBO-CMPLNLGQSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020196019 384597218 /nfs/dbraw/zinc/59/72/18/384597218.db2.gz KWMQUUMVXOUONX-MNOVXSKESA-N 0 3 223.316 2.122 20 10 BECDHN COC1(C[NH2+]Cc2ccccc2[O-])CCCC1 ZINC000276981749 384636781 /nfs/dbraw/zinc/63/67/81/384636781.db2.gz SPBRGFKSDILLHX-UHFFFAOYSA-N 0 3 235.327 2.441 20 10 BECDHN C[C@@H]([NH2+]CCc1cn[nH]c1)c1ccccc1[O-] ZINC000289632295 384955634 /nfs/dbraw/zinc/95/56/34/384955634.db2.gz FGGROONZLBNIIV-SNVBAGLBSA-N 0 3 231.299 2.009 20 10 BECDHN COc1ccc(CN[C@H]2C[C@H](O)C2(C)C)cc1C ZINC000129579981 385166682 /nfs/dbraw/zinc/16/66/82/385166682.db2.gz CTQUJXKNJWGVTF-KBPBESRZSA-N 0 3 249.354 2.253 20 10 BECDHN C[N@H+](CCOCC(F)F)Cc1ccccc1[O-] ZINC000189663257 385176777 /nfs/dbraw/zinc/17/67/77/385176777.db2.gz IEEMHOFKLAJOFY-UHFFFAOYSA-N 0 3 245.269 2.106 20 10 BECDHN C[N@@H+](CCOCC(F)F)Cc1ccccc1[O-] ZINC000189663257 385176783 /nfs/dbraw/zinc/17/67/83/385176783.db2.gz IEEMHOFKLAJOFY-UHFFFAOYSA-N 0 3 245.269 2.106 20 10 BECDHN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168712547 385383580 /nfs/dbraw/zinc/38/35/80/385383580.db2.gz HSMKYAOGIJQGGH-UWVGGRQHSA-N 0 3 240.322 2.132 20 10 BECDHN CC/C=C/C[NH2+]Cc1cccc(OC)c1[O-] ZINC000295022136 385384258 /nfs/dbraw/zinc/38/42/58/385384258.db2.gz KRLUSSAMJIWLKH-SNAWJCMRSA-N 0 3 221.300 2.457 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)c([O-])c1 ZINC000168777357 385387052 /nfs/dbraw/zinc/38/70/52/385387052.db2.gz QFCAVOKSASDPCA-BXUZGUMPSA-N 0 3 237.343 2.368 20 10 BECDHN C[C@@H]([NH2+]CCF)c1cc(F)ccc1[O-] ZINC000281082289 385394284 /nfs/dbraw/zinc/39/42/84/385394284.db2.gz PEZFFDWCEQDEJI-SSDOTTSWSA-N 0 3 201.216 2.151 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CCCCO)c1 ZINC000295088789 385430184 /nfs/dbraw/zinc/43/01/84/385430184.db2.gz RHEBZGQPBNPBLC-GFCCVEGCSA-N 0 3 237.343 2.341 20 10 BECDHN COC[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179573837 385474488 /nfs/dbraw/zinc/47/44/88/385474488.db2.gz DTTDDZXKWNCNEE-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN COC[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179573837 385474490 /nfs/dbraw/zinc/47/44/90/385474490.db2.gz DTTDDZXKWNCNEE-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN CO[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179570645 385474675 /nfs/dbraw/zinc/47/46/75/385474675.db2.gz BNAGLGGBTDPDIQ-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN CO[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179570645 385474676 /nfs/dbraw/zinc/47/46/76/385474676.db2.gz BNAGLGGBTDPDIQ-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN CC[C@](C)(CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180837887 385549927 /nfs/dbraw/zinc/54/99/27/385549927.db2.gz IZIAPHGOQFKLRT-CYBMUJFWSA-N 0 3 241.306 2.172 20 10 BECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@H](C)O ZINC000282540624 385770468 /nfs/dbraw/zinc/77/04/68/385770468.db2.gz WADMFZDYNTZDJK-LBPRGKRZSA-N 0 3 237.343 2.375 20 10 BECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@H](C)O ZINC000282540624 385770471 /nfs/dbraw/zinc/77/04/71/385770471.db2.gz WADMFZDYNTZDJK-LBPRGKRZSA-N 0 3 237.343 2.375 20 10 BECDHN CCCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)O ZINC000282540621 385771544 /nfs/dbraw/zinc/77/15/44/385771544.db2.gz WADMFZDYNTZDJK-GFCCVEGCSA-N 0 3 237.343 2.375 20 10 BECDHN CCCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)O ZINC000282540621 385771547 /nfs/dbraw/zinc/77/15/47/385771547.db2.gz WADMFZDYNTZDJK-GFCCVEGCSA-N 0 3 237.343 2.375 20 10 BECDHN CO[C@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000285164915 385903068 /nfs/dbraw/zinc/90/30/68/385903068.db2.gz PUBCRHYWBMOPMV-GFCCVEGCSA-N 0 3 237.343 2.476 20 10 BECDHN CO[C@H](C)C[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000285164915 385903072 /nfs/dbraw/zinc/90/30/72/385903072.db2.gz PUBCRHYWBMOPMV-GFCCVEGCSA-N 0 3 237.343 2.476 20 10 BECDHN CS[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000294957415 385926647 /nfs/dbraw/zinc/92/66/47/385926647.db2.gz DMZPUIDEPHGIKE-NSHDSACASA-N 0 3 241.331 2.469 20 10 BECDHN CS[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000294957415 385926650 /nfs/dbraw/zinc/92/66/50/385926650.db2.gz DMZPUIDEPHGIKE-NSHDSACASA-N 0 3 241.331 2.469 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H](C)C2)c1 ZINC000219890814 385947246 /nfs/dbraw/zinc/94/72/46/385947246.db2.gz OVYCCUARHWDEED-AAEUAGOBSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H](C)C2)c1 ZINC000219890886 385947520 /nfs/dbraw/zinc/94/75/20/385947520.db2.gz OVYCCUARHWDEED-YPMHNXCESA-N 0 3 235.327 2.358 20 10 BECDHN CC[C@H](COC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611300 386343524 /nfs/dbraw/zinc/34/35/24/386343524.db2.gz OIMXXLJPAUNPCZ-LLVKDONJSA-N 0 3 227.279 2.046 20 10 BECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1cn[nH]c1 ZINC000226618297 386344059 /nfs/dbraw/zinc/34/40/59/386344059.db2.gz VPILRMLCKJRYLW-MRVPVSSYSA-N 0 3 235.262 2.105 20 10 BECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000226612015 386345827 /nfs/dbraw/zinc/34/58/27/386345827.db2.gz SXSBTLLWVZXFJY-ZJUUUORDSA-N 0 3 239.290 2.046 20 10 BECDHN COC[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000265857860 386378286 /nfs/dbraw/zinc/37/82/86/386378286.db2.gz WOZQYZKZQDMUSO-ZDUSSCGKSA-N 0 3 249.354 2.477 20 10 BECDHN COC[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000265857860 386378294 /nfs/dbraw/zinc/37/82/94/386378294.db2.gz WOZQYZKZQDMUSO-ZDUSSCGKSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@H]2CCOC2)c1 ZINC000135215525 386491448 /nfs/dbraw/zinc/49/14/48/386491448.db2.gz BTNHTHVFINDMIB-RYUDHWBXSA-N 0 3 235.327 2.215 20 10 BECDHN C[C@@H](O)CCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000228037951 386535728 /nfs/dbraw/zinc/53/57/28/386535728.db2.gz YLYDQAZEGDTDPW-NXEZZACHSA-N 0 3 241.306 2.343 20 10 BECDHN Cc1ccc(O)c(CN2CCO[C@H]3CCC[C@H]32)c1 ZINC000228143556 386547954 /nfs/dbraw/zinc/54/79/54/386547954.db2.gz MHDYCQOOTFZYHX-HIFRSBDPSA-N 0 3 247.338 2.454 20 10 BECDHN C[C@]1(O)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000279720418 386727315 /nfs/dbraw/zinc/72/73/15/386727315.db2.gz UPAOZFUYMMEIGJ-AWEZNQCLSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@]1(O)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000279720418 386727322 /nfs/dbraw/zinc/72/73/22/386727322.db2.gz UPAOZFUYMMEIGJ-AWEZNQCLSA-N 0 3 235.327 2.129 20 10 BECDHN CO[C@@H](C)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000191146301 386765687 /nfs/dbraw/zinc/76/56/87/386765687.db2.gz DKSDHAZGIMIFFT-NSHDSACASA-N 0 3 223.316 2.134 20 10 BECDHN COC[C@@H]1CCN1Cc1ccc(N(C)C)c(C)c1 ZINC000293473914 386823651 /nfs/dbraw/zinc/82/36/51/386823651.db2.gz FDTCEYCBEASIPQ-AWEZNQCLSA-N 0 3 248.370 2.282 20 10 BECDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000191694938 387050395 /nfs/dbraw/zinc/05/03/95/387050395.db2.gz SUQNFVOCVMDPEO-IUCAKERBSA-N 0 3 227.279 2.044 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCO)c([O-])c1 ZINC000284158169 387150937 /nfs/dbraw/zinc/15/09/37/387150937.db2.gz PRTMZJNCKSRXRZ-LLVKDONJSA-N 0 3 223.316 2.042 20 10 BECDHN CC[C@H]([NH2+]Cc1cc(C)ccc1[O-])C(C)(C)O ZINC000292969187 387337481 /nfs/dbraw/zinc/33/74/81/387337481.db2.gz KCJAARDDBBPWSL-ZDUSSCGKSA-N 0 3 237.343 2.340 20 10 BECDHN CCN(CC[NH2+]Cc1cc(C)ccc1[O-])C1CC1 ZINC000113332830 387548050 /nfs/dbraw/zinc/54/80/50/387548050.db2.gz OFLMJGCLDORZQS-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccccc1[O-] ZINC000527762510 387700457 /nfs/dbraw/zinc/70/04/57/387700457.db2.gz CZNNSSTYNFPXTL-SMDDNHRTSA-N 0 3 233.311 2.049 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000527741033 387706927 /nfs/dbraw/zinc/70/69/27/387706927.db2.gz WPBFTLDETUYMGN-GFCCVEGCSA-N 0 3 235.327 2.299 20 10 BECDHN CC(C)O[C@@]1(C)C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000527800355 387721546 /nfs/dbraw/zinc/72/15/46/387721546.db2.gz OFLUHIJNFOASAH-KGLIPLIRSA-N 0 3 235.327 2.438 20 10 BECDHN COC[C@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295996727 388417094 /nfs/dbraw/zinc/41/70/94/388417094.db2.gz OBXCSYSYYAJWLS-ZYHUDNBSSA-N 0 3 235.327 2.252 20 10 BECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H]1CCOC1 ZINC000297156516 388429047 /nfs/dbraw/zinc/42/90/47/388429047.db2.gz BDEICBLHTXNXHK-UHTWSYAYSA-N 0 3 247.338 2.394 20 10 BECDHN CSCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610982 388723903 /nfs/dbraw/zinc/72/39/03/388723903.db2.gz RTAPSSMZJFJIIV-UHFFFAOYSA-N 0 3 229.320 2.374 20 10 BECDHN CSC[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610799 388724253 /nfs/dbraw/zinc/72/42/53/388724253.db2.gz MWXHWGJSEBTXRK-QMMMGPOBSA-N 0 3 229.320 2.372 20 10 BECDHN CO[C@@H](C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000272522309 389033992 /nfs/dbraw/zinc/03/39/92/389033992.db2.gz YKTRILOPKLIHJR-VIFPVBQESA-N 0 3 227.279 2.046 20 10 BECDHN CCN(C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618105 169700548 /nfs/dbraw/zinc/70/05/48/169700548.db2.gz WCLDBFAJLCMPBG-JTQLQIEISA-N 0 3 240.322 2.134 20 10 BECDHN [O-]c1ccccc1CN1CCC[N@@H+]2CCC[C@H]2C1 ZINC000250079764 135049819 /nfs/dbraw/zinc/04/98/19/135049819.db2.gz IHBLQHDQQIJWLH-AWEZNQCLSA-N 0 3 246.354 2.062 20 10 BECDHN [O-]c1ccccc1CN1CCC[N@H+]2CCC[C@H]2C1 ZINC000250079764 135049822 /nfs/dbraw/zinc/04/98/22/135049822.db2.gz IHBLQHDQQIJWLH-AWEZNQCLSA-N 0 3 246.354 2.062 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC000367047430 136112143 /nfs/dbraw/zinc/11/21/43/136112143.db2.gz JCEPALIPSQCXHV-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@]23CCOC3)c1 ZINC000367047430 136112144 /nfs/dbraw/zinc/11/21/44/136112144.db2.gz JCEPALIPSQCXHV-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000038044195 398024991 /nfs/dbraw/zinc/02/49/91/398024991.db2.gz QJMYCKFEFYEEFC-NEPJUHHUSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@@H]([NH2+]Cc1cccnc1N)c1ccccc1[O-] ZINC001648054645 1172794398 /nfs/dbraw/zinc/79/43/98/1172794398.db2.gz YSAMPSPCGPCFPX-SNVBAGLBSA-N 0 3 243.310 2.220 20 10 BECDHN CC1(C)[C@H]([NH2+]Cc2ccccc2[O-])[C@@H]2CCO[C@@H]21 ZINC000134994626 168014495 /nfs/dbraw/zinc/01/44/95/168014495.db2.gz AVXKSXVKZQUNDO-YUTCNCBUSA-N 0 3 247.338 2.295 20 10 BECDHN CCOCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000132761918 170390733 /nfs/dbraw/zinc/39/07/33/170390733.db2.gz MOFFCHRMXZVQQX-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CCOCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000132761918 170390735 /nfs/dbraw/zinc/39/07/35/170390735.db2.gz MOFFCHRMXZVQQX-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CCOCc1cc(CNC2CC2)ccc1OC ZINC000050125676 170458517 /nfs/dbraw/zinc/45/85/17/170458517.db2.gz HSHPGFBVGPPLJO-UHFFFAOYSA-N 0 3 235.327 2.484 20 10 BECDHN CC[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019882188 171342841 /nfs/dbraw/zinc/34/28/41/171342841.db2.gz WMQWTDWBSNRVLH-VIFPVBQESA-N 0 3 209.289 2.289 20 10 BECDHN CN(C)c1ccc(CNCCOCC2CC2)cc1 ZINC000224532680 172553393 /nfs/dbraw/zinc/55/33/93/172553393.db2.gz LUYZNOLBJSUPMH-UHFFFAOYSA-N 0 3 248.370 2.269 20 10 BECDHN CN1CCC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296192898 173033830 /nfs/dbraw/zinc/03/38/30/173033830.db2.gz YQTCABPYSXINQR-CHWSQXEVSA-N 0 3 246.354 2.063 20 10 BECDHN COC1CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000226562020 174028060 /nfs/dbraw/zinc/02/80/60/174028060.db2.gz KWXXRWHKPFXYLO-UHFFFAOYSA-N 0 3 239.290 2.142 20 10 BECDHN COCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296177182 174251264 /nfs/dbraw/zinc/25/12/64/174251264.db2.gz XYPIKCMZGCHXOH-NSHDSACASA-N 0 3 221.300 2.006 20 10 BECDHN COc1ccc(CNC2(CO)CCC2)cc1C ZINC000133140035 175105574 /nfs/dbraw/zinc/10/55/74/175105574.db2.gz KCSBECVFGHVYMJ-UHFFFAOYSA-N 0 3 235.327 2.008 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@H](C)C2CC2)c1 ZINC000035732854 175159018 /nfs/dbraw/zinc/15/90/18/175159018.db2.gz UTMHRCZQCDVISQ-SECBINFHSA-N 0 3 221.300 2.289 20 10 BECDHN COc1ccc([O-])c(C[NH2+]CC=C(C)C)c1 ZINC000191615255 175159080 /nfs/dbraw/zinc/15/90/80/175159080.db2.gz VFQVUYLYPSCVPY-UHFFFAOYSA-N 0 3 221.300 2.457 20 10 BECDHN COc1ccc([O-])c(C[NH2+]C2CCCC2)c1 ZINC000020086017 175159388 /nfs/dbraw/zinc/15/93/88/175159388.db2.gz AFLBAVKQLRBHCK-UHFFFAOYSA-N 0 3 221.300 2.433 20 10 BECDHN COc1cccc(C[N@@H+]2CCC[C@@H]2C)c1[O-] ZINC000132653196 175259070 /nfs/dbraw/zinc/25/90/70/175259070.db2.gz HDDRHGVTEQDHHB-JTQLQIEISA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc(C[N@H+]2CCC[C@@H]2C)c1[O-] ZINC000132653196 175259071 /nfs/dbraw/zinc/25/90/71/175259071.db2.gz HDDRHGVTEQDHHB-JTQLQIEISA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc(C[NH2+]C2CC(F)(F)C2)c1[O-] ZINC000277632983 175263330 /nfs/dbraw/zinc/26/33/30/175263330.db2.gz LCNCXTZOQGAPOM-UHFFFAOYSA-N 0 3 243.253 2.288 20 10 BECDHN COc1cccc(CNC2CC(F)(F)C2)c1O ZINC000277632983 175263331 /nfs/dbraw/zinc/26/33/31/175263331.db2.gz LCNCXTZOQGAPOM-UHFFFAOYSA-N 0 3 243.253 2.288 20 10 BECDHN COc1cccc(C[NH2+]C2CCC2)c1[O-] ZINC000052207229 175263718 /nfs/dbraw/zinc/26/37/18/175263718.db2.gz DYKDJFXWQHTBKM-UHFFFAOYSA-N 0 3 207.273 2.043 20 10 BECDHN COc1cccc(C[NH2+][C@H]2CC2(C)C)c1[O-] ZINC000045115877 175267476 /nfs/dbraw/zinc/26/74/76/175267476.db2.gz LKJUSRAJCGPJTB-NSHDSACASA-N 0 3 221.300 2.289 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCCOC1)c1ccccc1[O-] ZINC000071011602 175913763 /nfs/dbraw/zinc/91/37/63/175913763.db2.gz WPKVOXZYNHAIAX-GHMZBOCLSA-N 0 3 221.300 2.222 20 10 BECDHN C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000097987283 176109329 /nfs/dbraw/zinc/10/93/29/176109329.db2.gz YSNKXOYQHQMGRL-SECBINFHSA-N 0 3 235.283 2.105 20 10 BECDHN C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000097987283 176109331 /nfs/dbraw/zinc/10/93/31/176109331.db2.gz YSNKXOYQHQMGRL-SECBINFHSA-N 0 3 235.283 2.105 20 10 BECDHN C[C@@H]1CCOCCN1Cc1ccc(N(C)C)cc1 ZINC000365343992 176189784 /nfs/dbraw/zinc/18/97/84/176189784.db2.gz MVDLFMCOFNOOJY-CYBMUJFWSA-N 0 3 248.370 2.363 20 10 BECDHN C[C@@H]1CN(Cc2ccccc2O)C[C@@H](C)O1 ZINC000028221872 176307914 /nfs/dbraw/zinc/30/79/14/176307914.db2.gz CTGGINCBVRTYPW-GHMZBOCLSA-N 0 3 221.300 2.001 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H]1CCOC1 ZINC000252811089 176913952 /nfs/dbraw/zinc/91/39/52/176913952.db2.gz GLTWUXBGGHVFQA-WOPDTQHZSA-N 0 3 235.327 2.468 20 10 BECDHN CC[C@@H](COC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297573463 490308275 /nfs/dbraw/zinc/30/82/75/490308275.db2.gz GUSKRBSNXONXME-RYUDHWBXSA-N 0 3 235.327 2.394 20 10 BECDHN COc1ccc(C[NH2+]CC(C)C)c([O-])c1OC ZINC000892423935 582883705 /nfs/dbraw/zinc/88/37/05/582883705.db2.gz CFWDYIYTVCFHFC-UHFFFAOYSA-N 0 3 239.315 2.155 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000840979791 583214419 /nfs/dbraw/zinc/21/44/19/583214419.db2.gz URXWDUIMWHCAOK-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1 ZINC000840979791 583214420 /nfs/dbraw/zinc/21/44/20/583214420.db2.gz URXWDUIMWHCAOK-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN COc1cc(C)cc(CN2CC3(CC3)C2)c1O ZINC000894869703 583538944 /nfs/dbraw/zinc/53/89/44/583538944.db2.gz CPECVWOCMQAYGW-UHFFFAOYSA-N 0 3 233.311 2.305 20 10 BECDHN Cc1cccc(C[N@@H+]2CCCCC[C@H]2CO)c1[O-] ZINC000895151369 583606670 /nfs/dbraw/zinc/60/66/70/583606670.db2.gz TXGLNSOJSKEJRA-AWEZNQCLSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[N@H+]2CCCCC[C@H]2CO)c1[O-] ZINC000895151369 583606672 /nfs/dbraw/zinc/60/66/72/583606672.db2.gz TXGLNSOJSKEJRA-AWEZNQCLSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCCCC[C@H]2CO)c1 ZINC000895151887 583607010 /nfs/dbraw/zinc/60/70/10/583607010.db2.gz MEDQSAJBROOADR-AWEZNQCLSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCCCC[C@H]2CO)c1 ZINC000895151887 583607011 /nfs/dbraw/zinc/60/70/11/583607011.db2.gz MEDQSAJBROOADR-AWEZNQCLSA-N 0 3 249.354 2.438 20 10 BECDHN COc1ccc(CNC[C@@H]2CC(C)=NO2)cc1C ZINC000895312535 583648878 /nfs/dbraw/zinc/64/88/78/583648878.db2.gz XKKIUVZCDOIQSR-ZDUSSCGKSA-N 0 3 248.326 2.258 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780158 583729000 /nfs/dbraw/zinc/72/90/00/583729000.db2.gz DCLCYPXXPQLOTE-TXEJJXNPSA-N 0 3 235.352 2.187 20 10 BECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895780158 583729002 /nfs/dbraw/zinc/72/90/02/583729002.db2.gz DCLCYPXXPQLOTE-TXEJJXNPSA-N 0 3 235.352 2.187 20 10 BECDHN Cc1ccc(O)c(CNCc2cnc(C)nc2)c1 ZINC000858237272 588940031 /nfs/dbraw/zinc/94/00/31/588940031.db2.gz INQGTZGZDLTICB-UHFFFAOYSA-N 0 3 243.310 2.089 20 10 BECDHN CC(C)[C@H]([NH3+])CNCc1cccc(Cl)c1[O-] ZINC000841031031 584029163 /nfs/dbraw/zinc/02/91/63/584029163.db2.gz RFNIMYJBRASXKU-LLVKDONJSA-N 0 3 242.750 2.119 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)c([O-])c1 ZINC000898377435 584113740 /nfs/dbraw/zinc/11/37/40/584113740.db2.gz VABUBLBMUOUCTF-KGLIPLIRSA-N 0 3 247.338 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000898380562 584114727 /nfs/dbraw/zinc/11/47/27/584114727.db2.gz QOBOYNLLLWCCGU-ZIAGYGMSSA-N 0 3 247.338 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000898380560 584114934 /nfs/dbraw/zinc/11/49/34/584114934.db2.gz QOBOYNLLLWCCGU-KGLIPLIRSA-N 0 3 247.338 2.215 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000858543871 588964261 /nfs/dbraw/zinc/96/42/61/588964261.db2.gz PEJBZKNHSCQFEX-UPJWGTAASA-N 0 3 249.354 2.431 20 10 BECDHN Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]CC2(C)C)c([O-])c1 ZINC000902450546 584606768 /nfs/dbraw/zinc/60/67/68/584606768.db2.gz TWKMSDFXYSGGTL-BXUZGUMPSA-N 0 3 248.370 2.349 20 10 BECDHN CC[C@@H]([NH2+]C[C@H]1CCN1C)c1ccc(C)cc1[O-] ZINC000903315924 584749442 /nfs/dbraw/zinc/74/94/42/584749442.db2.gz AFCAURFNBPZJND-TZMCWYRMSA-N 0 3 248.370 2.445 20 10 BECDHN C[N@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1CCOC1 ZINC000730260089 584897275 /nfs/dbraw/zinc/89/72/75/584897275.db2.gz LDYNTYJZIIURJW-CQSZACIVSA-N 0 3 247.338 2.102 20 10 BECDHN C[N@@H+](Cc1cc2c(cc1[O-])CCC2)[C@@H]1CCOC1 ZINC000730260089 584897276 /nfs/dbraw/zinc/89/72/76/584897276.db2.gz LDYNTYJZIIURJW-CQSZACIVSA-N 0 3 247.338 2.102 20 10 BECDHN Cc1ccc([C@@H](C)NC[C@H]2CCC[NH2+]2)c([O-])c1 ZINC000817951451 584992093 /nfs/dbraw/zinc/99/20/93/584992093.db2.gz FVMJWSVXOIDAEW-VXGBXAGGSA-N 0 3 234.343 2.103 20 10 BECDHN CC[NH2+][C@H](C)CN[C@@H](C)c1cc(F)ccc1[O-] ZINC000817971844 584993468 /nfs/dbraw/zinc/99/34/68/584993468.db2.gz HSKRDOBHAAUGQL-ZJUUUORDSA-N 0 3 240.322 2.180 20 10 BECDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000839147105 585092504 /nfs/dbraw/zinc/09/25/04/585092504.db2.gz DFJLKNDSZIYMPL-TXEJJXNPSA-N 0 3 239.290 2.188 20 10 BECDHN COCC1(C)CN(Cc2cccc(C)c2O)C1 ZINC000839142861 585094945 /nfs/dbraw/zinc/09/49/45/585094945.db2.gz FHZYBDUBAMOPPV-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN COCC1(C)C[NH+](Cc2cccc(C)c2[O-])C1 ZINC000839142861 585094946 /nfs/dbraw/zinc/09/49/46/585094946.db2.gz FHZYBDUBAMOPPV-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cn1cc(C(C)(C)[NH2+]Cc2ccccc2[O-])cn1 ZINC000742373389 585125256 /nfs/dbraw/zinc/12/52/56/585125256.db2.gz BBSYHVZXVKLOAA-UHFFFAOYSA-N 0 3 245.326 2.151 20 10 BECDHN CO[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000751942294 585239617 /nfs/dbraw/zinc/23/96/17/585239617.db2.gz VXJNIUZYFVFPOR-CQSZACIVSA-N 0 3 247.338 2.102 20 10 BECDHN CO[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000751942294 585239618 /nfs/dbraw/zinc/23/96/18/585239618.db2.gz VXJNIUZYFVFPOR-CQSZACIVSA-N 0 3 247.338 2.102 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H](CO)CC2CC2)cc1C ZINC000754833620 585291201 /nfs/dbraw/zinc/29/12/01/585291201.db2.gz KJXPLDXKSNYAMB-CQSZACIVSA-N 0 3 249.354 2.260 20 10 BECDHN C[C@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756343225 585317819 /nfs/dbraw/zinc/31/78/19/585317819.db2.gz VQRTZBFJSCXPPW-OYNCUSHFSA-N 0 3 239.290 2.050 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]CCCO)c2c1c(F)ccc2[O-] ZINC000756343764 585317951 /nfs/dbraw/zinc/31/79/51/585317951.db2.gz OAZRDTWGBBNGHZ-PSASIEDQSA-N 0 3 239.290 2.052 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c([O-])c1C ZINC000756536909 585320819 /nfs/dbraw/zinc/32/08/19/585320819.db2.gz XFNCULUGMBEVPW-CHWSQXEVSA-N 0 3 248.370 2.364 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2)c([O-])c1C ZINC000756769818 585322848 /nfs/dbraw/zinc/32/28/48/585322848.db2.gz QYFFECQQWGJNQT-NEPJUHHUSA-N 0 3 235.327 2.449 20 10 BECDHN C[N@H+](CCC(=O)C1CC1)Cc1ccccc1[O-] ZINC000767426833 585520104 /nfs/dbraw/zinc/52/01/04/585520104.db2.gz SLCTWICAOYFDRT-UHFFFAOYSA-N 0 3 233.311 2.193 20 10 BECDHN C[N@@H+](CCC(=O)C1CC1)Cc1ccccc1[O-] ZINC000767426833 585520105 /nfs/dbraw/zinc/52/01/05/585520105.db2.gz SLCTWICAOYFDRT-UHFFFAOYSA-N 0 3 233.311 2.193 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000770511092 585575240 /nfs/dbraw/zinc/57/52/40/585575240.db2.gz ZRXBOZGMEZKHHU-AWEZNQCLSA-N 0 3 246.354 2.061 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C2CC2)C1 ZINC000770511092 585575241 /nfs/dbraw/zinc/57/52/41/585575241.db2.gz ZRXBOZGMEZKHHU-AWEZNQCLSA-N 0 3 246.354 2.061 20 10 BECDHN CN(C)c1ccc(CN(C)[C@H]2CCCOC2)cc1 ZINC000771529732 585595712 /nfs/dbraw/zinc/59/57/12/585595712.db2.gz YKYHYRBWFQXIOI-HNNXBMFYSA-N 0 3 248.370 2.363 20 10 BECDHN CCN(C)c1ccc(CN(C)CCOC)cc1 ZINC000773745848 585643083 /nfs/dbraw/zinc/64/30/83/585643083.db2.gz GOGPJHVXAHXBRE-UHFFFAOYSA-N 0 3 236.359 2.221 20 10 BECDHN Cc1cccc(C[N@H+](CCCO)C2CC2)c1[O-] ZINC000775700644 585683532 /nfs/dbraw/zinc/68/35/32/585683532.db2.gz GYSQTJPGMDOGEX-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@@H+](CCCO)C2CC2)c1[O-] ZINC000775700644 585683533 /nfs/dbraw/zinc/68/35/33/585683533.db2.gz GYSQTJPGMDOGEX-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c1[O-] ZINC000775987358 585688745 /nfs/dbraw/zinc/68/87/45/585688745.db2.gz VLONYJHUMXWEMV-QWHCGFSZSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c1[O-] ZINC000775987358 585688746 /nfs/dbraw/zinc/68/87/46/585688746.db2.gz VLONYJHUMXWEMV-QWHCGFSZSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@H]2CCO)c1[O-] ZINC000779201367 585747185 /nfs/dbraw/zinc/74/71/85/585747185.db2.gz DSNVDCPLPBLVRP-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@H]2CCO)c1[O-] ZINC000779201367 585747186 /nfs/dbraw/zinc/74/71/86/585747186.db2.gz DSNVDCPLPBLVRP-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CCO)c1 ZINC000779202656 585747297 /nfs/dbraw/zinc/74/72/97/585747297.db2.gz RWCRBQZNWFSODB-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000779202656 585747298 /nfs/dbraw/zinc/74/72/98/585747298.db2.gz RWCRBQZNWFSODB-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@@]1(O)CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000779220088 585747549 /nfs/dbraw/zinc/74/75/49/585747549.db2.gz WQDAGQDRBRXILP-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@@]1(O)CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000779220088 585747550 /nfs/dbraw/zinc/74/75/50/585747550.db2.gz WQDAGQDRBRXILP-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000780565565 585781398 /nfs/dbraw/zinc/78/13/98/585781398.db2.gz AOOWBGCCUKRTFD-NSHDSACASA-N 0 3 249.310 2.183 20 10 BECDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCC=CO1 ZINC000780565564 585781429 /nfs/dbraw/zinc/78/14/29/585781429.db2.gz AOOWBGCCUKRTFD-LLVKDONJSA-N 0 3 249.310 2.183 20 10 BECDHN Cc1cc(CN[C@@H](C)c2ccccc2O)ncn1 ZINC000783526755 585836131 /nfs/dbraw/zinc/83/61/31/585836131.db2.gz YXUVICRJRGZEKU-NSHDSACASA-N 0 3 243.310 2.341 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCOCC3(CC3)C2)c1 ZINC000783599045 585837634 /nfs/dbraw/zinc/83/76/34/585837634.db2.gz HXRIJAACJQEWEC-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCOCC3(CC3)C2)c1 ZINC000783599045 585837635 /nfs/dbraw/zinc/83/76/35/585837635.db2.gz HXRIJAACJQEWEC-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN CN(Cc1ccccc1O)CC1(F)CC1 ZINC000792787999 586005276 /nfs/dbraw/zinc/00/52/76/586005276.db2.gz MDTPIZYBEWZOJY-UHFFFAOYSA-N 0 3 209.264 2.326 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793228793 586014718 /nfs/dbraw/zinc/01/47/18/586014718.db2.gz QXZMIFJXMOLXMY-AOOOYVTPSA-N 0 3 221.300 2.384 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2[C@H](C)C[C@@H]2C)c1 ZINC000793228793 586014719 /nfs/dbraw/zinc/01/47/19/586014719.db2.gz QXZMIFJXMOLXMY-AOOOYVTPSA-N 0 3 221.300 2.384 20 10 BECDHN CO[C@@H](C)C[N@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000795749740 586091729 /nfs/dbraw/zinc/09/17/29/586091729.db2.gz IBSNQFFVOPWYRA-NSHDSACASA-N 0 3 249.354 2.348 20 10 BECDHN CO[C@@H](C)C[N@@H+](C)Cc1cc2c(cc1[O-])CCC2 ZINC000795749740 586091730 /nfs/dbraw/zinc/09/17/30/586091730.db2.gz IBSNQFFVOPWYRA-NSHDSACASA-N 0 3 249.354 2.348 20 10 BECDHN C[C@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000796496451 586105162 /nfs/dbraw/zinc/10/51/62/586105162.db2.gz AKVGTNQZDNATDA-NWDGAFQWSA-N 0 3 235.327 2.154 20 10 BECDHN CC(C)(CO)[C@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000811518067 586560335 /nfs/dbraw/zinc/56/03/35/586560335.db2.gz FSZWVVQCUMJSCV-CQSZACIVSA-N 0 3 249.354 2.279 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCN(C)C2)c([O-])c1 ZINC000815576340 586688044 /nfs/dbraw/zinc/68/80/44/586688044.db2.gz OPPWEODVHOIXRY-QWHCGFSZSA-N 0 3 248.370 2.364 20 10 BECDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000816647260 586748928 /nfs/dbraw/zinc/74/89/28/586748928.db2.gz QEBWYIIJBDHMDV-RKDXNWHRSA-N 0 3 209.264 2.372 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1C ZINC000816647260 586748930 /nfs/dbraw/zinc/74/89/30/586748930.db2.gz QEBWYIIJBDHMDV-RKDXNWHRSA-N 0 3 209.264 2.372 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648722 586751940 /nfs/dbraw/zinc/75/19/40/586751940.db2.gz OAZCILCFXPCRTH-ZJUUUORDSA-N 0 3 221.300 2.241 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H]2C)c1 ZINC000816648722 586751942 /nfs/dbraw/zinc/75/19/42/586751942.db2.gz OAZCILCFXPCRTH-ZJUUUORDSA-N 0 3 221.300 2.241 20 10 BECDHN COc1ccc(O)c(CN2C[C@@H](C)[C@@H]2C)c1 ZINC000816648722 586751944 /nfs/dbraw/zinc/75/19/44/586751944.db2.gz OAZCILCFXPCRTH-ZJUUUORDSA-N 0 3 221.300 2.241 20 10 BECDHN CC[C@H]([NH2+]CCN)c1cc(Cl)ccc1[O-] ZINC000817934028 586843460 /nfs/dbraw/zinc/84/34/60/586843460.db2.gz ADKPSVLWWUBTCD-JTQLQIEISA-N 0 3 228.723 2.045 20 10 BECDHN C[C@H]([NH2+]CCCN)c1cc(Cl)ccc1[O-] ZINC000817938187 586844523 /nfs/dbraw/zinc/84/45/23/586844523.db2.gz GLRDDGQVCLTYDT-QMMMGPOBSA-N 0 3 228.723 2.045 20 10 BECDHN CC[NH2+]CCCN[C@H](C)c1ccc(F)cc1[O-] ZINC000817943141 586846071 /nfs/dbraw/zinc/84/60/71/586846071.db2.gz JCWHPJXPYQNHIV-SNVBAGLBSA-N 0 3 240.322 2.182 20 10 BECDHN CNCC[NH2+][C@@H](C)c1ccc2ccccc2c1[O-] ZINC000817951644 586847825 /nfs/dbraw/zinc/84/78/25/586847825.db2.gz IMAOTHAURNDWTH-NSHDSACASA-N 0 3 244.338 2.415 20 10 BECDHN CC[NH2+]CCN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000817953271 586849024 /nfs/dbraw/zinc/84/90/24/586849024.db2.gz YFWWRKIXNHWRKA-SECBINFHSA-N 0 3 242.750 2.306 20 10 BECDHN CC(C)[C@H](N)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817958797 586851150 /nfs/dbraw/zinc/85/11/50/586851150.db2.gz MOSQDZNMHZCKBO-BXKDBHETSA-N 0 3 240.322 2.165 20 10 BECDHN CC(C)[C@H]([NH3+])CN[C@H](C)c1ccc(F)cc1[O-] ZINC000817958797 586851151 /nfs/dbraw/zinc/85/11/51/586851151.db2.gz MOSQDZNMHZCKBO-BXKDBHETSA-N 0 3 240.322 2.165 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H](CN)C2CC2)c([O-])c1 ZINC000817960662 586851406 /nfs/dbraw/zinc/85/14/06/586851406.db2.gz OZEVPCRAAHGJID-ZWNOBZJWSA-N 0 3 234.343 2.089 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CN)C2CC2)c1 ZINC000817960833 586851641 /nfs/dbraw/zinc/85/16/41/586851641.db2.gz SBWXFRDFIJBYEP-GXFFZTMASA-N 0 3 234.343 2.089 20 10 BECDHN CCCC[C@@H](CN)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817963887 586854090 /nfs/dbraw/zinc/85/40/90/586854090.db2.gz XNMQCONJVLSRLQ-QWHCGFSZSA-N 0 3 248.370 2.487 20 10 BECDHN C[C@H](CN)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817966618 586855282 /nfs/dbraw/zinc/85/52/82/586855282.db2.gz RPXGPSQDJMQBPL-NQMVMOMDSA-N 0 3 238.306 2.016 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccccc1[O-] ZINC000817968788 586856135 /nfs/dbraw/zinc/85/61/35/586856135.db2.gz MQYOMPQVVGRZBO-KWCYVHTRSA-N 0 3 248.370 2.431 20 10 BECDHN C[C@H]([NH2+][C@@H]1CNCC[C@@H]1C)c1ccccc1[O-] ZINC000817967836 586856361 /nfs/dbraw/zinc/85/63/61/586856361.db2.gz MLBAJMPNWKQSPA-GMXVVIOVSA-N 0 3 234.343 2.041 20 10 BECDHN C[C@H](N)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817971160 586857620 /nfs/dbraw/zinc/85/76/20/586857620.db2.gz BKEDPUIXLDYCBL-NRPADANISA-N 0 3 238.306 2.016 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@@H](C)CN)c1[O-] ZINC000817970364 586857839 /nfs/dbraw/zinc/85/78/39/586857839.db2.gz SIKOJCWTLAFYLM-IUCAKERBSA-N 0 3 242.750 2.352 20 10 BECDHN C[C@@H](N)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817973782 586859975 /nfs/dbraw/zinc/85/99/75/586859975.db2.gz WKBDIIUTHBQAAD-SFYZADRCSA-N 0 3 228.723 2.043 20 10 BECDHN C[C@@H]([NH3+])CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817973782 586859977 /nfs/dbraw/zinc/85/99/77/586859977.db2.gz WKBDIIUTHBQAAD-SFYZADRCSA-N 0 3 228.723 2.043 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)N)c1cc(Cl)ccc1[O-] ZINC000817973796 586860453 /nfs/dbraw/zinc/86/04/53/586860453.db2.gz WQVCWRPFOAWOEX-KWQFWETISA-N 0 3 242.750 2.434 20 10 BECDHN C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817978173 586861855 /nfs/dbraw/zinc/86/18/55/586861855.db2.gz XULRISGYWWCCMC-VGMNWLOBSA-N 0 3 242.750 2.432 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccccc1[O-] ZINC000817978077 586862093 /nfs/dbraw/zinc/86/20/93/586862093.db2.gz VJHRNLROELEVHC-SCVCMEIPSA-N 0 3 222.332 2.169 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(C)cc1[O-] ZINC000817977332 586862196 /nfs/dbraw/zinc/86/21/96/586862196.db2.gz HXJLXUBPBDUAIV-GVXVVHGQSA-N 0 3 236.359 2.477 20 10 BECDHN CCN(CC)c1ccc(CN[C@@H]2CC[C@H]2O)cc1 ZINC000818231932 586880581 /nfs/dbraw/zinc/88/05/81/586880581.db2.gz XJWFHUMUHGARKB-HUUCEWRRSA-N 0 3 248.370 2.146 20 10 BECDHN COc1cc([O-])c(C[NH2+][C@H]2CC23CC3)cc1OC ZINC000822497426 587171699 /nfs/dbraw/zinc/17/16/99/587171699.db2.gz DEIROYZADQOFTK-ZDUSSCGKSA-N 0 3 249.310 2.052 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC(CC(F)F)C1 ZINC000822521256 587173420 /nfs/dbraw/zinc/17/34/20/587173420.db2.gz ZLRAGRIKSXNAPQ-UHFFFAOYSA-N 0 3 227.254 2.479 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@H](C)N(C)C)cc1C ZINC000824988350 587297396 /nfs/dbraw/zinc/29/73/96/587297396.db2.gz KVSREQHQIAVMLF-LBPRGKRZSA-N 0 3 236.359 2.049 20 10 BECDHN Cc1ccc(O)c(CN(C)Cc2cnc[nH]2)c1 ZINC000826769830 587361983 /nfs/dbraw/zinc/36/19/83/587361983.db2.gz SOIKXSQBNYQZFM-UHFFFAOYSA-N 0 3 231.299 2.056 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC000827151421 587371456 /nfs/dbraw/zinc/37/14/56/587371456.db2.gz ASYOESXAECOFHV-JYAVWHMHSA-N 0 3 249.354 2.149 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1 ZINC000827151421 587371457 /nfs/dbraw/zinc/37/14/57/587371457.db2.gz ASYOESXAECOFHV-JYAVWHMHSA-N 0 3 249.354 2.149 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1[O-] ZINC000827282443 587375080 /nfs/dbraw/zinc/37/50/80/587375080.db2.gz MJHFVTPGBCOGSZ-ZFWWWQNUSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1[O-] ZINC000827282443 587375081 /nfs/dbraw/zinc/37/50/81/587375081.db2.gz MJHFVTPGBCOGSZ-ZFWWWQNUSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c1 ZINC000827285249 587375200 /nfs/dbraw/zinc/37/52/00/587375200.db2.gz YZAQCAOSWVFUNR-ZFWWWQNUSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c1 ZINC000827285249 587375201 /nfs/dbraw/zinc/37/52/01/587375201.db2.gz YZAQCAOSWVFUNR-ZFWWWQNUSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000827365112 587378739 /nfs/dbraw/zinc/37/87/39/587378739.db2.gz KAJITAOHSMJPOD-CHWSQXEVSA-N 0 3 247.338 2.094 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000827489074 587382748 /nfs/dbraw/zinc/38/27/48/587382748.db2.gz NCYGIQSSJGVHND-PTEHBNRSSA-N 0 3 221.275 2.419 20 10 BECDHN Cc1cc(N(C)C)ccc1CNC1([C@H](C)O)CC1 ZINC000827585339 587390731 /nfs/dbraw/zinc/39/07/31/587390731.db2.gz GCSAWTBJIQSNMQ-LBPRGKRZSA-N 0 3 248.370 2.064 20 10 BECDHN CCc1cccc(C[N@H+](C)C2(CO)CCC2)c1[O-] ZINC000827903500 587408645 /nfs/dbraw/zinc/40/86/45/587408645.db2.gz IYFDHQQACGSGIB-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+](C)C2(CO)CCC2)c1[O-] ZINC000827903500 587408646 /nfs/dbraw/zinc/40/86/46/587408646.db2.gz IYFDHQQACGSGIB-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCn1nccc1CNCc1cccc(C)c1O ZINC000827958132 587413554 /nfs/dbraw/zinc/41/35/54/587413554.db2.gz YLLQYGDAYYYCQZ-UHFFFAOYSA-N 0 3 245.326 2.207 20 10 BECDHN C[C@@H](CO)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835053909 587779510 /nfs/dbraw/zinc/77/95/10/587779510.db2.gz QDZJIGZYAQCPCM-GFUIURDCSA-N 0 3 248.370 2.078 20 10 BECDHN Cc1cc(N(C)C)ccc1CNc1nccn1C ZINC000840887988 587927995 /nfs/dbraw/zinc/92/79/95/587927995.db2.gz SNVJIYIYXIAVPO-UHFFFAOYSA-N 0 3 244.342 2.407 20 10 BECDHN COCC[C@@H](C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000840955769 587931899 /nfs/dbraw/zinc/93/18/99/587931899.db2.gz WXNLQRDVEIBUIP-GFCCVEGCSA-N 0 3 237.343 2.463 20 10 BECDHN CC(C)C[C@@H]([NH3+])CN(C)Cc1ccccc1[O-] ZINC000841006747 587934975 /nfs/dbraw/zinc/93/49/75/587934975.db2.gz HGOJPOYBFSHGPO-CYBMUJFWSA-N 0 3 236.359 2.197 20 10 BECDHN CCC(N)(CC)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841029825 587936605 /nfs/dbraw/zinc/93/66/05/587936605.db2.gz BDUVBVLZTWWYER-UHFFFAOYSA-N 0 3 240.322 2.138 20 10 BECDHN CCC([NH3+])(CC)CNCc1cccc(F)c1[O-] ZINC000841029825 587936607 /nfs/dbraw/zinc/93/66/07/587936607.db2.gz BDUVBVLZTWWYER-UHFFFAOYSA-N 0 3 240.322 2.138 20 10 BECDHN CCCC[C@@H](CN)[NH2+]Cc1cc(C)ccc1[O-] ZINC000841029015 587936750 /nfs/dbraw/zinc/93/67/50/587936750.db2.gz LEYTUQWPKVSEOV-ZDUSSCGKSA-N 0 3 236.359 2.308 20 10 BECDHN C[C@@H](CCN)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841049655 587939979 /nfs/dbraw/zinc/93/99/79/587939979.db2.gz GJQCZRZBJSZWHJ-ZETCQYMHSA-N 0 3 246.713 2.012 20 10 BECDHN CC[NH2+][C@H](C)CNCc1cccc(Cl)c1[O-] ZINC000841066329 587943059 /nfs/dbraw/zinc/94/30/59/587943059.db2.gz SBJOVMZCVGSSEC-SECBINFHSA-N 0 3 242.750 2.133 20 10 BECDHN CCN[C@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841066329 587943060 /nfs/dbraw/zinc/94/30/60/587943060.db2.gz SBJOVMZCVGSSEC-SECBINFHSA-N 0 3 242.750 2.133 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](CN)C(C)(C)C)c1[O-] ZINC000841086710 587945440 /nfs/dbraw/zinc/94/54/40/587945440.db2.gz DUCQUHWERHCQAX-LBPRGKRZSA-N 0 3 236.359 2.164 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CC2(N(C)C)CC2)cc1C ZINC000841890211 587982083 /nfs/dbraw/zinc/98/20/83/587982083.db2.gz MAZXLZCBTBWGMB-UHFFFAOYSA-N 0 3 248.370 2.193 20 10 BECDHN COCC1(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000842728887 588056545 /nfs/dbraw/zinc/05/65/45/588056545.db2.gz KLKIVDORFRWYEG-UHFFFAOYSA-N 0 3 235.327 2.299 20 10 BECDHN Cc1cc([O-])c(CN(C)CCC[NH3+])c(Cl)c1 ZINC000843050501 588076530 /nfs/dbraw/zinc/07/65/30/588076530.db2.gz LSBPRPYUAJJGJA-UHFFFAOYSA-N 0 3 242.750 2.135 20 10 BECDHN Oc1ccc(F)cc1CN1C[C@H]2[C@@H](C1)C2(F)F ZINC000846109215 588256936 /nfs/dbraw/zinc/25/69/36/588256936.db2.gz COMJYGIZVPRTBV-AOOOYVTPSA-N 0 3 243.228 2.228 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1[O-] ZINC000846110585 588257031 /nfs/dbraw/zinc/25/70/31/588257031.db2.gz HSTREBTWGZZZHK-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1[O-] ZINC000846110585 588257032 /nfs/dbraw/zinc/25/70/32/588257032.db2.gz HSTREBTWGZZZHK-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1cccc(CN2C[C@H]3[C@@H](C2)C3(F)F)c1O ZINC000846110585 588257033 /nfs/dbraw/zinc/25/70/33/588257033.db2.gz HSTREBTWGZZZHK-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H](CO)CCF)c([O-])c1 ZINC000846209428 588260190 /nfs/dbraw/zinc/26/01/90/588260190.db2.gz QRXRFNPDEYNIRI-WDEREUQCSA-N 0 3 241.306 2.072 20 10 BECDHN CCC[N@H+](CCO)Cc1cccc(CC)c1[O-] ZINC000848881771 588416339 /nfs/dbraw/zinc/41/63/39/588416339.db2.gz ZJPZIOGXKMQZAS-UHFFFAOYSA-N 0 3 237.343 2.159 20 10 BECDHN CCC[N@@H+](CCO)Cc1cccc(CC)c1[O-] ZINC000848881771 588416340 /nfs/dbraw/zinc/41/63/40/588416340.db2.gz ZJPZIOGXKMQZAS-UHFFFAOYSA-N 0 3 237.343 2.159 20 10 BECDHN CCc1cccc(C[N@H+](C)CC[C@H](C)O)c1[O-] ZINC000848886865 588417321 /nfs/dbraw/zinc/41/73/21/588417321.db2.gz JPVSGDJGHBXDSY-NSHDSACASA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)CC[C@H](C)O)c1[O-] ZINC000848886865 588417322 /nfs/dbraw/zinc/41/73/22/588417322.db2.gz JPVSGDJGHBXDSY-NSHDSACASA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@H](O)[C@@H](CC)C2)c1[O-] ZINC000848891465 588418144 /nfs/dbraw/zinc/41/81/44/588418144.db2.gz YPFYFBSFSRJPNR-JSGCOSHPSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@H](O)[C@@H](CC)C2)c1[O-] ZINC000848891465 588418146 /nfs/dbraw/zinc/41/81/46/588418146.db2.gz YPFYFBSFSRJPNR-JSGCOSHPSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+](C)CC2CC(O)C2)c1[O-] ZINC000848904907 588418389 /nfs/dbraw/zinc/41/83/89/588418389.db2.gz DAOCJVXYJWTWMZ-UHFFFAOYSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)CC2CC(O)C2)c1[O-] ZINC000848904907 588418391 /nfs/dbraw/zinc/41/83/91/588418391.db2.gz DAOCJVXYJWTWMZ-UHFFFAOYSA-N 0 3 249.354 2.157 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(CC)c1[O-] ZINC000848902489 588418620 /nfs/dbraw/zinc/41/86/20/588418620.db2.gz DZESMLZSZRILDN-KQIUPUNMSA-N 0 3 249.354 2.371 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000848902073 588418687 /nfs/dbraw/zinc/41/86/87/588418687.db2.gz JJWYVDBZCRCJIK-YPMHNXCESA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000848902073 588418688 /nfs/dbraw/zinc/41/86/88/588418688.db2.gz JJWYVDBZCRCJIK-YPMHNXCESA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[NH2+][C@@](C)(CO)C2CC2)c1[O-] ZINC000848900837 588418926 /nfs/dbraw/zinc/41/89/26/588418926.db2.gz KYJULILYLSNCKA-HNNXBMFYSA-N 0 3 249.354 2.205 20 10 BECDHN CCc1cccc(C[NH2+][C@H](C)[C@@H](C)OC)c1[O-] ZINC000848912291 588420352 /nfs/dbraw/zinc/42/03/52/588420352.db2.gz DHBDDJUVNGMVKH-GHMZBOCLSA-N 0 3 237.343 2.468 20 10 BECDHN Cc1ccncc1CC[NH2+]Cc1ccccc1[O-] ZINC000850355689 588538616 /nfs/dbraw/zinc/53/86/16/588538616.db2.gz LZAVXFPQSSGNQJ-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CCCn2nccc21 ZINC000850430378 588545998 /nfs/dbraw/zinc/54/59/98/588545998.db2.gz OXHFVECXJMEPJM-LBPRGKRZSA-N 0 3 243.310 2.213 20 10 BECDHN CCN(C)c1ccc([C@H](C)NC/C=C/CO)cc1 ZINC000850506936 588553606 /nfs/dbraw/zinc/55/36/06/588553606.db2.gz CRQGKVCAQIKKSI-GFUIURDCSA-N 0 3 248.370 2.342 20 10 BECDHN CC[C@H](NCc1cn(C)cn1)c1ccccc1O ZINC000851902474 588641948 /nfs/dbraw/zinc/64/19/48/588641948.db2.gz MQCYPYKNLKZDPF-ZDUSSCGKSA-N 0 3 245.326 2.367 20 10 BECDHN CC[C@@H](NCc1cn(C)cn1)c1ccccc1O ZINC000851902472 588642051 /nfs/dbraw/zinc/64/20/51/588642051.db2.gz MQCYPYKNLKZDPF-CYBMUJFWSA-N 0 3 245.326 2.367 20 10 BECDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(C)cc1[O-] ZINC000863543329 589297011 /nfs/dbraw/zinc/29/70/11/589297011.db2.gz MLMOGXSCFQYVMV-KWCYVHTRSA-N 0 3 248.370 2.492 20 10 BECDHN COC[C@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019904836 590040786 /nfs/dbraw/zinc/04/07/86/590040786.db2.gz KCAXRGHWDRRXJE-VHSXEESVSA-N 0 3 239.315 2.086 20 10 BECDHN CC[C@@H]([NH2+][C@H](C)COC)c1ccccc1[O-] ZINC000019904909 590040956 /nfs/dbraw/zinc/04/09/56/590040956.db2.gz IBSWDDRGFXXXIS-ZYHUDNBSSA-N 0 3 223.316 2.468 20 10 BECDHN COC[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020087569 590072006 /nfs/dbraw/zinc/07/20/06/590072006.db2.gz QWPWURZKIMWJEA-WDEREUQCSA-N 0 3 223.316 2.386 20 10 BECDHN C[C@@H]([NH2+]CCN1CCCC1)c1ccccc1[O-] ZINC000020126826 590076523 /nfs/dbraw/zinc/07/65/23/590076523.db2.gz JIEHFTXMNGFVKG-GFCCVEGCSA-N 0 3 234.343 2.139 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@]2(C)CCCO2)c1[O-] ZINC000124857576 590094291 /nfs/dbraw/zinc/09/42/91/590094291.db2.gz GSOXQOKUCRWUAO-CQSZACIVSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc(O)c1CN1CCOC(C)(C)C1 ZINC000876613048 590221876 /nfs/dbraw/zinc/22/18/76/590221876.db2.gz GWOQXSXSDQJVGA-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN CC[C@@H]1COCCN1Cc1ccc(C)cc1O ZINC000876617951 590222362 /nfs/dbraw/zinc/22/23/62/590222362.db2.gz XVGIUJDJNOBDOW-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN COCCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876646230 590225840 /nfs/dbraw/zinc/22/58/40/590225840.db2.gz UPGDYEJMPUIGOG-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COCCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876646230 590225841 /nfs/dbraw/zinc/22/58/41/590225841.db2.gz UPGDYEJMPUIGOG-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN Cc1ccc(C[NH+]2CCC([C@@H](C)O)CC2)c([O-])c1 ZINC000876679403 590229520 /nfs/dbraw/zinc/22/95/20/590229520.db2.gz GHLQCVAJHCGPNX-GFCCVEGCSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000876758486 590239171 /nfs/dbraw/zinc/23/91/71/590239171.db2.gz GSNXPUHGIJVIFD-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@](C)(O)C1 ZINC000876758486 590239172 /nfs/dbraw/zinc/23/91/72/590239172.db2.gz GSNXPUHGIJVIFD-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC000876760512 590239175 /nfs/dbraw/zinc/23/91/75/590239175.db2.gz SNLICNRGTLJDNX-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC000876760512 590239176 /nfs/dbraw/zinc/23/91/76/590239176.db2.gz SNLICNRGTLJDNX-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[NH2+]CC(C)(C)N(C)C)c([O-])c1 ZINC000876889664 590254140 /nfs/dbraw/zinc/25/41/40/590254140.db2.gz QBDIXVSFHIVFDL-UHFFFAOYSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCCn1cccn1 ZINC000876920368 590257532 /nfs/dbraw/zinc/25/75/32/590257532.db2.gz OZCOELOSMGVHDE-UHFFFAOYSA-N 0 3 245.326 2.077 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2C[C@@H]2C)c([O-])c1 ZINC000876931184 590258125 /nfs/dbraw/zinc/25/81/25/590258125.db2.gz KTMUGMVBDKACRR-JQWIXIFHSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCCOC2)c([O-])c1 ZINC000876957311 590260921 /nfs/dbraw/zinc/26/09/21/590260921.db2.gz XGRTULZYYQNSSG-LBPRGKRZSA-N 0 3 235.327 2.217 20 10 BECDHN COC[C@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876986771 590265000 /nfs/dbraw/zinc/26/50/00/590265000.db2.gz KQSWEXFIRWLBDA-LLVKDONJSA-N 0 3 223.316 2.073 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](C)CCN(C)C)c([O-])c1 ZINC000876992212 590266496 /nfs/dbraw/zinc/26/64/96/590266496.db2.gz NSIRLIGURLTXPK-LBPRGKRZSA-N 0 3 236.359 2.130 20 10 BECDHN COCC[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000876994590 590266631 /nfs/dbraw/zinc/26/66/31/590266631.db2.gz KMTLZYZOYDGSIM-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1(O)CCCCC1 ZINC000876997643 590267013 /nfs/dbraw/zinc/26/70/13/590267013.db2.gz CPPKKJFFOMVWTQ-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN Cc1ccc(C[NH2+]CC2(O)CCCCC2)c([O-])c1 ZINC000876998514 590267375 /nfs/dbraw/zinc/26/73/75/590267375.db2.gz ODHDFESYTAJEMJ-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN COCC(C)(C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877003149 590268049 /nfs/dbraw/zinc/26/80/49/590268049.db2.gz MVAYPJKXZGQTLV-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN CC[C@@H](C)[C@@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877024543 590270329 /nfs/dbraw/zinc/27/03/29/590270329.db2.gz HELYFAVZZDRHOS-RISCZKNCSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@](C)(O)C(C)C ZINC000877044447 590273800 /nfs/dbraw/zinc/27/38/00/590273800.db2.gz WZJGOGBOCJABLR-AWEZNQCLSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H](C)C[C@@H](C)O)c([O-])c1 ZINC000877059523 590276059 /nfs/dbraw/zinc/27/60/59/590276059.db2.gz XTOBTSXZULFOLI-VXGBXAGGSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000877058676 590276419 /nfs/dbraw/zinc/27/64/19/590276419.db2.gz LCXCWFLGAZWVNL-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN CO[C@@H](C[NH2+]Cc1c(C)cccc1[O-])C(C)C ZINC000877067465 590276718 /nfs/dbraw/zinc/27/67/18/590276718.db2.gz HWWVWYASQARGMG-AWEZNQCLSA-N 0 3 237.343 2.461 20 10 BECDHN COC(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877067876 590277235 /nfs/dbraw/zinc/27/72/35/590277235.db2.gz NLJBWLVYYUVAGY-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc(C[NH2+]CCOC2CCC2)c([O-])c1 ZINC000877071416 590277505 /nfs/dbraw/zinc/27/75/05/590277505.db2.gz NJQRYQLFLYPDFZ-UHFFFAOYSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@]2(C)CCCO2)c([O-])c1 ZINC000877103829 590284186 /nfs/dbraw/zinc/28/41/86/590284186.db2.gz SQOZBIQCKFMUEC-CQSZACIVSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000877119806 590288977 /nfs/dbraw/zinc/28/89/77/590288977.db2.gz ADZDVNNVVHLZQO-JOCQHMNTSA-N 0 3 235.327 2.094 20 10 BECDHN Cc1ccc(C[NH2+]CCC[C@@H](C)CO)c([O-])c1 ZINC000877127239 590289987 /nfs/dbraw/zinc/28/99/87/590289987.db2.gz BZLXSIWGGSGWOC-GFCCVEGCSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCN1CCC[C@H]1C ZINC000877154021 590293428 /nfs/dbraw/zinc/29/34/28/590293428.db2.gz LVAQDBGBNYFBFG-CYBMUJFWSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000877170191 590295755 /nfs/dbraw/zinc/29/57/55/590295755.db2.gz JNISBZDBHKMHBQ-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000877170191 590295756 /nfs/dbraw/zinc/29/57/56/590295756.db2.gz JNISBZDBHKMHBQ-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCOC(C)C ZINC000877334689 590317776 /nfs/dbraw/zinc/31/77/76/590317776.db2.gz CQTIEVGYEJIGSV-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1(CO)CCCC1 ZINC000877406605 590323656 /nfs/dbraw/zinc/32/36/56/590323656.db2.gz YUJWUNVLHUZCJC-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2CCO)c([O-])c1 ZINC000877442709 590328752 /nfs/dbraw/zinc/32/87/52/590328752.db2.gz UMGOPILYNAPGOH-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+]CCCOC(F)F)c([O-])c1 ZINC000877503653 590342907 /nfs/dbraw/zinc/34/29/07/590342907.db2.gz SMTBCZIGRSYCRO-UHFFFAOYSA-N 0 3 245.269 2.420 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000877520207 590346005 /nfs/dbraw/zinc/34/60/05/590346005.db2.gz PWYWILQXIWKAQZ-QWHCGFSZSA-N 0 3 249.354 2.463 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000877518737 590346180 /nfs/dbraw/zinc/34/61/80/590346180.db2.gz GGLNBTCBZXHSHI-QWHCGFSZSA-N 0 3 249.354 2.463 20 10 BECDHN CO[C@H](C)C[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000877522823 590347313 /nfs/dbraw/zinc/34/73/13/590347313.db2.gz HDTWGBWNYCHEAQ-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN CO[C@H](C)C[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000877522823 590347315 /nfs/dbraw/zinc/34/73/15/590347315.db2.gz HDTWGBWNYCHEAQ-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN CC[C@H](C[NH2+]Cc1c(C)cccc1[O-])OC ZINC000877541486 590351510 /nfs/dbraw/zinc/35/15/10/590351510.db2.gz OUUFTPGFIHLHSY-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC000877554714 590355999 /nfs/dbraw/zinc/35/59/99/590355999.db2.gz LUVLYGBETRWVIG-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](CO)CC2)c([O-])c1 ZINC000877554714 590356002 /nfs/dbraw/zinc/35/60/02/590356002.db2.gz LUVLYGBETRWVIG-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC000877554671 590356545 /nfs/dbraw/zinc/35/65/45/590356545.db2.gz LLIYUOVNPFVFJW-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC000877554671 590356547 /nfs/dbraw/zinc/35/65/47/590356547.db2.gz LLIYUOVNPFVFJW-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H](C)CCCO)c([O-])c1 ZINC000877560661 590359813 /nfs/dbraw/zinc/35/98/13/590359813.db2.gz XQTXJZYSSUWJAR-LBPRGKRZSA-N 0 3 237.343 2.199 20 10 BECDHN CC[C@@H](C)[N@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000877573423 590362799 /nfs/dbraw/zinc/36/27/99/590362799.db2.gz PIPNRXFGNIMVHU-GFCCVEGCSA-N 0 3 237.343 2.293 20 10 BECDHN CC[C@@H](C)[N@@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000877573423 590362802 /nfs/dbraw/zinc/36/28/02/590362802.db2.gz PIPNRXFGNIMVHU-GFCCVEGCSA-N 0 3 237.343 2.293 20 10 BECDHN CCO[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877583702 590366755 /nfs/dbraw/zinc/36/67/55/590366755.db2.gz MEHHXKGGZCSVHH-TXEJJXNPSA-N 0 3 235.327 2.358 20 10 BECDHN CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877585836 590368020 /nfs/dbraw/zinc/36/80/20/590368020.db2.gz OKWZIKGLTCKTQQ-OCCSQVGLSA-N 0 3 235.327 2.358 20 10 BECDHN CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877584792 590368116 /nfs/dbraw/zinc/36/81/16/590368116.db2.gz YZAOPHICSIDOIW-BETUJISGSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c([O-])c1 ZINC000877594863 590369940 /nfs/dbraw/zinc/36/99/40/590369940.db2.gz LGXCDSDYFDKNNN-CHWSQXEVSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c([O-])c1 ZINC000877594863 590369943 /nfs/dbraw/zinc/36/99/43/590369943.db2.gz LGXCDSDYFDKNNN-CHWSQXEVSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000877595157 590369992 /nfs/dbraw/zinc/36/99/92/590369992.db2.gz UAKHETPPBSMPIP-DGCLKSJQSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000877595157 590369995 /nfs/dbraw/zinc/36/99/95/590369995.db2.gz UAKHETPPBSMPIP-DGCLKSJQSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(O)c1CN(C)Cc1cnc[nH]1 ZINC000877620645 590375512 /nfs/dbraw/zinc/37/55/12/590375512.db2.gz VPWUISYEYJLJSH-UHFFFAOYSA-N 0 3 231.299 2.056 20 10 BECDHN COCCC1C[NH+](Cc2c(C)cccc2[O-])C1 ZINC000877623074 590376791 /nfs/dbraw/zinc/37/67/91/590376791.db2.gz IAZHNLGRMWJYHS-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C2CSC2)cc1C ZINC000877635123 590379562 /nfs/dbraw/zinc/37/95/62/590379562.db2.gz CYBDOVCITSVQNQ-UHFFFAOYSA-N 0 3 223.341 2.214 20 10 BECDHN CCCN1CC[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877635734 590380891 /nfs/dbraw/zinc/38/08/91/590380891.db2.gz CMAKCAYUDMKTAQ-ZDUSSCGKSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000877637464 590381601 /nfs/dbraw/zinc/38/16/01/590381601.db2.gz ILDOCCFIJZSDMB-OLZOCXBDSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000877637464 590381604 /nfs/dbraw/zinc/38/16/04/590381604.db2.gz ILDOCCFIJZSDMB-OLZOCXBDSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c([O-])c1 ZINC000877651713 590385081 /nfs/dbraw/zinc/38/50/81/590385081.db2.gz JSBSXGCYLCZIFB-DOMZBBRYSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)c([O-])c1 ZINC000877657549 590386434 /nfs/dbraw/zinc/38/64/34/590386434.db2.gz FJQIETJQEMHAOP-ZFWWWQNUSA-N 0 3 247.338 2.358 20 10 BECDHN CO[C@H]1C[C@@H](C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877661267 590386828 /nfs/dbraw/zinc/38/68/28/590386828.db2.gz ZQFJSRHRVVQQTH-TXEJJXNPSA-N 0 3 235.327 2.215 20 10 BECDHN CC(C)(F)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000877663148 590387953 /nfs/dbraw/zinc/38/79/53/590387953.db2.gz IKYLOUFMUHKTIU-UHFFFAOYSA-N 0 3 215.243 2.369 20 10 BECDHN COCC(C)(C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703117 590395705 /nfs/dbraw/zinc/39/57/05/590395705.db2.gz SAIHUAYSZZDOGV-UHFFFAOYSA-N 0 3 235.327 2.380 20 10 BECDHN COCC(C)(C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703117 590395708 /nfs/dbraw/zinc/39/57/08/590395708.db2.gz SAIHUAYSZZDOGV-UHFFFAOYSA-N 0 3 235.327 2.380 20 10 BECDHN [O-]c1cccc2c1C[N@H+](CCC[C@@H]1CCO1)C2 ZINC000877702794 590396882 /nfs/dbraw/zinc/39/68/82/590396882.db2.gz HVJKTKSXVWNOGG-GFCCVEGCSA-N 0 3 233.311 2.277 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](CCC[C@@H]1CCO1)C2 ZINC000877702794 590396885 /nfs/dbraw/zinc/39/68/85/590396885.db2.gz HVJKTKSXVWNOGG-GFCCVEGCSA-N 0 3 233.311 2.277 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1[O-] ZINC000877752105 590416152 /nfs/dbraw/zinc/41/61/52/590416152.db2.gz MYCCHBUQMCWGMN-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](O)CC(C)(C)C2)c1[O-] ZINC000877752105 590416153 /nfs/dbraw/zinc/41/61/53/590416153.db2.gz MYCCHBUQMCWGMN-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN CC(C)(O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000877754840 590416605 /nfs/dbraw/zinc/41/66/05/590416605.db2.gz UWVMMTPFZHOVLN-UHFFFAOYSA-N 0 3 249.354 2.375 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC000877752985 590416846 /nfs/dbraw/zinc/41/68/46/590416846.db2.gz KYLVOCHHBYJEFO-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c1 ZINC000877752985 590416847 /nfs/dbraw/zinc/41/68/47/590416847.db2.gz KYLVOCHHBYJEFO-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877779326 590423063 /nfs/dbraw/zinc/42/30/63/590423063.db2.gz WADHNNMYHJZJNZ-DGCLKSJQSA-N 0 3 237.343 2.340 20 10 BECDHN C[C@@H]1OCC[C@@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000878241895 590527907 /nfs/dbraw/zinc/52/79/07/590527907.db2.gz JPZOQRFSRDSPEO-NWDGAFQWSA-N 0 3 235.327 2.249 20 10 BECDHN C[C@@H]1OCC[C@@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000878241895 590527908 /nfs/dbraw/zinc/52/79/08/590527908.db2.gz JPZOQRFSRDSPEO-NWDGAFQWSA-N 0 3 235.327 2.249 20 10 BECDHN CC(C)[C@H](O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000878242317 590528490 /nfs/dbraw/zinc/52/84/90/590528490.db2.gz OMENLGARRXRUJZ-CYBMUJFWSA-N 0 3 237.343 2.231 20 10 BECDHN CC(C)[C@H](O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000878242317 590528492 /nfs/dbraw/zinc/52/84/92/590528492.db2.gz OMENLGARRXRUJZ-CYBMUJFWSA-N 0 3 237.343 2.231 20 10 BECDHN CC(C)[C@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650263 590843279 /nfs/dbraw/zinc/84/32/79/590843279.db2.gz SKWRPKKTTFVKKB-WCQYABFASA-N 0 3 237.343 2.450 20 10 BECDHN CS[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000128060444 590885954 /nfs/dbraw/zinc/88/59/54/590885954.db2.gz KPLSGFYOVCMJII-SECBINFHSA-N 0 3 211.330 2.233 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+]CCCC1CC1)OCO2 ZINC000130626269 591488770 /nfs/dbraw/zinc/48/87/70/591488770.db2.gz RSDLHEUFERLINA-UHFFFAOYSA-N 0 3 249.310 2.401 20 10 BECDHN C[C@@H]([NH2+]CCCN(C)C)c1c([O-])cccc1F ZINC000886489961 592236177 /nfs/dbraw/zinc/23/61/77/592236177.db2.gz VWHQUIYJTHTZNX-SNVBAGLBSA-N 0 3 240.322 2.134 20 10 BECDHN C[C@@H](NCCC[NH+](C)C)c1c([O-])cccc1F ZINC000886489961 592236179 /nfs/dbraw/zinc/23/61/79/592236179.db2.gz VWHQUIYJTHTZNX-SNVBAGLBSA-N 0 3 240.322 2.134 20 10 BECDHN C[C@H]1SCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000220662601 592321182 /nfs/dbraw/zinc/32/11/82/592321182.db2.gz OOZOOQMOHXPQKB-MWLCHTKSSA-N 0 3 223.341 2.376 20 10 BECDHN COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000301028779 592526643 /nfs/dbraw/zinc/52/66/43/592526643.db2.gz TYBUBGYWOKXADC-SNVBAGLBSA-N 0 3 223.316 2.295 20 10 BECDHN Cc1ccc(C[NH2+][C@@]2(C)CCO[C@@H]2C)c([O-])c1 ZINC000877306955 635676143 /nfs/dbraw/zinc/67/61/43/635676143.db2.gz BNRKZRVBDXZGAB-RISCZKNCSA-N 0 3 235.327 2.358 20 10 BECDHN CO[C@@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000309496053 632416904 /nfs/dbraw/zinc/41/69/04/632416904.db2.gz YLBPQGDIDJNASS-VWYCJHECSA-N 0 3 223.316 2.466 20 10 BECDHN CC[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310494107 632748475 /nfs/dbraw/zinc/74/84/75/632748475.db2.gz PGXIJKRQUMMQLX-BXUZGUMPSA-N 0 3 235.327 2.130 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)CC2 ZINC000311170938 633081615 /nfs/dbraw/zinc/08/16/15/633081615.db2.gz QKLHCAXAYIRSJP-YNEHKIRRSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccccc1[O-] ZINC000310442070 636051610 /nfs/dbraw/zinc/05/16/10/636051610.db2.gz SQEZAFQTNPPXIO-QMTHXVAHSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@@](C)(C[NH2+]Cc1ccccc1[O-])OC ZINC000322931553 636884598 /nfs/dbraw/zinc/88/45/98/636884598.db2.gz NMKWSEYKFPSXSI-ZDUSSCGKSA-N 0 3 223.316 2.297 20 10 BECDHN COC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000226609534 640778946 /nfs/dbraw/zinc/77/89/46/640778946.db2.gz PEMBWKYLGFIUFF-LBPRGKRZSA-N 0 3 241.306 2.292 20 10 BECDHN COC[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000307781900 641200428 /nfs/dbraw/zinc/20/04/28/641200428.db2.gz QAXJMGXSXWZKDK-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN COC[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000307781900 641200434 /nfs/dbraw/zinc/20/04/34/641200434.db2.gz QAXJMGXSXWZKDK-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@H+](CCOC1CC1)Cc1ccccc1[O-] ZINC000929977553 642058797 /nfs/dbraw/zinc/05/87/97/642058797.db2.gz WDWOFTZHTALLEI-UHFFFAOYSA-N 0 3 221.300 2.003 20 10 BECDHN C[N@@H+](CCOC1CC1)Cc1ccccc1[O-] ZINC000929977553 642058802 /nfs/dbraw/zinc/05/88/02/642058802.db2.gz WDWOFTZHTALLEI-UHFFFAOYSA-N 0 3 221.300 2.003 20 10 BECDHN COC(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180815699 642817291 /nfs/dbraw/zinc/81/72/91/642817291.db2.gz JSQZBWPLSCPISV-UHFFFAOYSA-N 0 3 227.279 2.046 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)OC)c1ccccc1[O-] ZINC000182435726 643018782 /nfs/dbraw/zinc/01/87/82/643018782.db2.gz ZPGWMGKMBPIYHN-ZYHUDNBSSA-N 0 3 223.316 2.468 20 10 BECDHN CC(C)(O)[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000185218796 643275091 /nfs/dbraw/zinc/27/50/91/643275091.db2.gz MGQIKRPJKKNVPJ-CYBMUJFWSA-N 0 3 235.327 2.128 20 10 BECDHN CC(C)(O)[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000185218796 643275097 /nfs/dbraw/zinc/27/50/97/643275097.db2.gz MGQIKRPJKKNVPJ-CYBMUJFWSA-N 0 3 235.327 2.128 20 10 BECDHN CC(C)(O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000185218780 643275262 /nfs/dbraw/zinc/27/52/62/643275262.db2.gz MGQIKRPJKKNVPJ-ZDUSSCGKSA-N 0 3 235.327 2.128 20 10 BECDHN CC(C)(O)[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000185218780 643275264 /nfs/dbraw/zinc/27/52/64/643275264.db2.gz MGQIKRPJKKNVPJ-ZDUSSCGKSA-N 0 3 235.327 2.128 20 10 BECDHN CC[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1[O-] ZINC000087784633 644503249 /nfs/dbraw/zinc/50/32/49/644503249.db2.gz VUXJNRZMXWZVNM-CMPLNLGQSA-N 0 3 221.300 2.222 20 10 BECDHN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000252745069 644897416 /nfs/dbraw/zinc/89/74/16/644897416.db2.gz AFUCLBNMYZUPNF-OUAUKWLOSA-N 0 3 223.316 2.202 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(F)cc1[O-] ZINC000817979833 644992604 /nfs/dbraw/zinc/99/26/04/644992604.db2.gz PNOJIIRXJCWQIW-PTRXPTGYSA-N 0 3 240.322 2.308 20 10 BECDHN CC[C@@H]([NH2+][C@H](CO)CCF)c1ccccc1[O-] ZINC000846096689 645402287 /nfs/dbraw/zinc/40/22/87/645402287.db2.gz KGLGDVGQADGBNS-CMPLNLGQSA-N 0 3 241.306 2.153 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@]2(C)CO)c([O-])c1 ZINC000877459763 645796802 /nfs/dbraw/zinc/79/68/02/645796802.db2.gz KLYMLYORDMAADA-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@]2(C)CO)c([O-])c1 ZINC000877459763 645796806 /nfs/dbraw/zinc/79/68/06/645796806.db2.gz KLYMLYORDMAADA-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN CCO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000701660935 712026752 /nfs/dbraw/zinc/02/67/52/712026752.db2.gz FCJNFOIWZXOSLC-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711497347 712306921 /nfs/dbraw/zinc/30/69/21/712306921.db2.gz LWRUYKCSBNRBDB-JTQLQIEISA-N 0 3 209.264 2.184 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711497347 712306922 /nfs/dbraw/zinc/30/69/22/712306922.db2.gz LWRUYKCSBNRBDB-JTQLQIEISA-N 0 3 209.264 2.184 20 10 BECDHN CC[C@@H](C[C@H](C)O)[NH2+]Cc1ccccc1[O-] ZINC000716955668 712599866 /nfs/dbraw/zinc/59/98/66/712599866.db2.gz QVKDUJYLKNGQHN-JQWIXIFHSA-N 0 3 223.316 2.031 20 10 BECDHN C[C@@H]1CSC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000379897854 712621819 /nfs/dbraw/zinc/62/18/19/712621819.db2.gz HJIDGGQIBDQXAC-KOLCDFICSA-N 0 3 223.341 2.233 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)O)c1[O-] ZINC000381566119 710657345 /nfs/dbraw/zinc/65/73/45/710657345.db2.gz ULKAHHXZIBFAPY-DTWKUNHWSA-N 0 3 243.734 2.385 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCCO)c1[O-] ZINC000381786419 710715922 /nfs/dbraw/zinc/71/59/22/710715922.db2.gz YXDLOPPCAWBYTC-VIFPVBQESA-N 0 3 243.734 2.387 20 10 BECDHN C[C@@H](O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000383872002 710985948 /nfs/dbraw/zinc/98/59/48/710985948.db2.gz PXELIMDRMMRTJU-PWSUYJOCSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000388523725 711062557 /nfs/dbraw/zinc/06/25/57/711062557.db2.gz XTJUUJWRIZMWCT-YPMHNXCESA-N 0 3 235.327 2.297 20 10 BECDHN CCOC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000393827196 711177122 /nfs/dbraw/zinc/17/71/22/711177122.db2.gz FKRSLIQVTPRHQR-JQWIXIFHSA-N 0 3 235.327 2.394 20 10 BECDHN CCC1(C[NH2+][C@H](C)c2ccccc2[O-])COC1 ZINC000393980964 711180309 /nfs/dbraw/zinc/18/03/09/711180309.db2.gz CYZKJZRAWLMVMQ-LLVKDONJSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(F)ccc1[O-] ZINC000393968031 711180507 /nfs/dbraw/zinc/18/05/07/711180507.db2.gz GUULXRILAXOEKK-IUCAKERBSA-N 0 3 241.306 2.341 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)(C)O ZINC000393971760 711180589 /nfs/dbraw/zinc/18/05/89/711180589.db2.gz OAQGMEQHSHBUDO-GXSJLCMTSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@@H]1COCCC[N@@H+]1Cc1ccccc1[O-] ZINC000398870603 711416452 /nfs/dbraw/zinc/41/64/52/711416452.db2.gz PHBVPSWCFLKYAK-LLVKDONJSA-N 0 3 221.300 2.003 20 10 BECDHN C[C@@H]1COCCC[N@H+]1Cc1ccccc1[O-] ZINC000398870603 711416456 /nfs/dbraw/zinc/41/64/56/711416456.db2.gz PHBVPSWCFLKYAK-LLVKDONJSA-N 0 3 221.300 2.003 20 10 BECDHN CC1(C)C[C@@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000396853115 711371642 /nfs/dbraw/zinc/37/16/42/711371642.db2.gz PNKSYDIJHTUASO-LLVKDONJSA-N 0 3 221.300 2.049 20 10 BECDHN CC1(C)C[C@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000396853117 711371806 /nfs/dbraw/zinc/37/18/06/711371806.db2.gz PNKSYDIJHTUASO-NSHDSACASA-N 0 3 221.300 2.049 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H](C)O ZINC000386961671 711763855 /nfs/dbraw/zinc/76/38/55/711763855.db2.gz ZGEIWANATVCEFG-ADEWGFFLSA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@H]([NH2+]CCOCCF)c1ccccc1[O-] ZINC000705792794 712137291 /nfs/dbraw/zinc/13/72/91/712137291.db2.gz CXUZQSOLGUDYCM-LBPRGKRZSA-N 0 3 241.306 2.419 20 10 BECDHN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2cc(F)ccc2[O-])C1 ZINC000706533177 712149025 /nfs/dbraw/zinc/14/90/25/712149025.db2.gz DVXZRJFRWAUOIZ-LSJOCFKGSA-N 0 3 239.290 2.359 20 10 BECDHN CO[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000706532445 712149361 /nfs/dbraw/zinc/14/93/61/712149361.db2.gz QOEQEKBUFLOVHL-IJLUTSLNSA-N 0 3 233.311 2.147 20 10 BECDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1(C)CC1 ZINC000706903494 712160468 /nfs/dbraw/zinc/16/04/68/712160468.db2.gz PIAABCZEGLUWDC-SECBINFHSA-N 0 3 249.310 2.399 20 10 BECDHN C[C@@H]([NH2+][C@H](C)C1(CO)CC1)c1ccccc1[O-] ZINC000710185113 712247651 /nfs/dbraw/zinc/24/76/51/712247651.db2.gz OJPVBZUUCAWHRK-GHMZBOCLSA-N 0 3 235.327 2.204 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](CF)C1 ZINC000711488414 712306382 /nfs/dbraw/zinc/30/63/82/712306382.db2.gz DCCXOPCXAVFNKY-VIFPVBQESA-N 0 3 227.254 2.323 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](CF)C1 ZINC000711488414 712306383 /nfs/dbraw/zinc/30/63/83/712306383.db2.gz DCCXOPCXAVFNKY-VIFPVBQESA-N 0 3 227.254 2.323 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000390622220 712421782 /nfs/dbraw/zinc/42/17/82/712421782.db2.gz GCMLDAILGDROJP-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000390622220 712421783 /nfs/dbraw/zinc/42/17/83/712421783.db2.gz GCMLDAILGDROJP-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN CC[C@H]([NH2+]C[C@@H]1CCN1C)c1ccccc1[O-] ZINC000712586923 712434527 /nfs/dbraw/zinc/43/45/27/712434527.db2.gz PQDPYUACBDYVPF-AAEUAGOBSA-N 0 3 234.343 2.137 20 10 BECDHN Cc1ccc(C[N@H+](C)CCCCCO)c([O-])c1 ZINC000877485458 712631245 /nfs/dbraw/zinc/63/12/45/712631245.db2.gz VAAXYJUQJQUCSH-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN Cc1ccc(C[N@@H+](C)CCCCCO)c([O-])c1 ZINC000877485458 712631246 /nfs/dbraw/zinc/63/12/46/712631246.db2.gz VAAXYJUQJQUCSH-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H]2C)c([O-])c1 ZINC000719558679 712809426 /nfs/dbraw/zinc/80/94/26/712809426.db2.gz LXZAOCOSKDSEOT-OUCADQQQSA-N 0 3 248.370 2.444 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1C)c1ccccc1[O-] ZINC000719647005 712820105 /nfs/dbraw/zinc/82/01/05/712820105.db2.gz MMVLGYCQMHYDBL-GMXVVIOVSA-N 0 3 234.343 2.135 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c([O-])c1 ZINC000720938490 712880539 /nfs/dbraw/zinc/88/05/39/712880539.db2.gz BFBRQIRBNAUQMO-IJLUTSLNSA-N 0 3 235.327 2.122 20 10 BECDHN C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1[O-] ZINC000402111345 1165749063 /nfs/dbraw/zinc/74/90/63/1165749063.db2.gz DKSBWWKKRHBTNM-VWYCJHECSA-N 0 3 221.300 2.220 20 10 BECDHN CCOc1cccc(CN2CC=CC2)c1O ZINC001203602184 966700864 /nfs/dbraw/zinc/70/08/64/966700864.db2.gz GUBOINNQZKJETA-UHFFFAOYSA-N 0 3 219.284 2.163 20 10 BECDHN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC000128439963 1166063082 /nfs/dbraw/zinc/06/30/82/1166063082.db2.gz NBADTLGXENILEE-GXSJLCMTSA-N 0 3 221.300 2.376 20 10 BECDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCCSC1 ZINC000129242943 1166161826 /nfs/dbraw/zinc/16/18/26/1166161826.db2.gz KWZFDOFFPJDZRY-SNVBAGLBSA-N 0 3 239.340 2.083 20 10 BECDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCCSC1 ZINC000129243169 1166162240 /nfs/dbraw/zinc/16/22/40/1166162240.db2.gz KWZFDOFFPJDZRY-JTQLQIEISA-N 0 3 239.340 2.083 20 10 BECDHN C[C@@H]1CSC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000309817292 1166662041 /nfs/dbraw/zinc/66/20/41/1166662041.db2.gz VMVCDXCITRAZLR-LDYMZIIASA-N 0 3 241.331 2.372 20 10 BECDHN C[C@@H]1CSC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000309817282 1166662118 /nfs/dbraw/zinc/66/21/18/1166662118.db2.gz VMVCDXCITRAZLR-KCJUWKMLSA-N 0 3 241.331 2.372 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC2CC(C2)C1 ZINC000214467128 1167037561 /nfs/dbraw/zinc/03/75/61/1167037561.db2.gz GJTLWHIGCUTPLO-UHFFFAOYSA-N 0 3 203.285 2.234 20 10 BECDHN [O-]c1ccccc1C[NH2+]C/C=C\C1CC1 ZINC000382316422 1167098034 /nfs/dbraw/zinc/09/80/34/1167098034.db2.gz RQFXAXVQIVYWJD-ARJAWSKDSA-N 0 3 203.285 2.448 20 10 BECDHN CC[C@H]1CN(Cc2ccccc2O)[C@@H](C)CO1 ZINC000403885656 971086377 /nfs/dbraw/zinc/08/63/77/971086377.db2.gz PBXOIKSCIMPETB-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN Nc1ccc(O[C@H]2CNCc3ccccc32)cc1 ZINC001218486169 971830786 /nfs/dbraw/zinc/83/07/86/971830786.db2.gz PKCFTEGSXPSIFK-HNNXBMFYSA-N 0 3 240.306 2.492 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H](O)C1CCC1)CC2 ZINC000315763280 972250414 /nfs/dbraw/zinc/25/04/14/972250414.db2.gz CTPFCODAHALZLI-JSGCOSHPSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@@H]([NH2+]C[C@H](O)C1CCC1)c1ccccc1[O-] ZINC000316592291 972286719 /nfs/dbraw/zinc/28/67/19/972286719.db2.gz OJEAHXMSYVNVNJ-YGRLFVJLSA-N 0 3 235.327 2.204 20 10 BECDHN C[N@H+](Cc1cc[nH]c1)Cc1ccccc1[O-] ZINC000091974459 958792146 /nfs/dbraw/zinc/79/21/46/958792146.db2.gz CLJAOPYGWJNREH-UHFFFAOYSA-N 0 3 216.284 2.352 20 10 BECDHN C[N@@H+](Cc1cc[nH]c1)Cc1ccccc1[O-] ZINC000091974459 958792172 /nfs/dbraw/zinc/79/21/72/958792172.db2.gz CLJAOPYGWJNREH-UHFFFAOYSA-N 0 3 216.284 2.352 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001140948097 960124870 /nfs/dbraw/zinc/12/48/70/960124870.db2.gz SPSAMHXSCNGCAZ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001140948097 960124877 /nfs/dbraw/zinc/12/48/77/960124877.db2.gz SPSAMHXSCNGCAZ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(CN2CCCC23COC3)c(O)c1 ZINC001140950251 960755852 /nfs/dbraw/zinc/75/58/52/960755852.db2.gz XFCZNFWDKRBCLL-UHFFFAOYSA-N 0 3 233.311 2.065 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001140957801 960758561 /nfs/dbraw/zinc/75/85/61/960758561.db2.gz OCDDOKXXQFIQBP-UKRRQHHQSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@@H]3C2)c([O-])c1 ZINC001140957801 960758580 /nfs/dbraw/zinc/75/85/80/960758580.db2.gz OCDDOKXXQFIQBP-UKRRQHHQSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c([O-])c1 ZINC001140950790 960764208 /nfs/dbraw/zinc/76/42/08/960764208.db2.gz JASUOLLAJKWHBS-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@]3(CCO3)C2)c([O-])c1 ZINC001140950790 960764230 /nfs/dbraw/zinc/76/42/30/960764230.db2.gz JASUOLLAJKWHBS-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Oc1ccccc1CN1CCC[C@H](F)C1 ZINC000689887739 963880957 /nfs/dbraw/zinc/88/09/57/963880957.db2.gz VIADRDFTCMFPKP-NSHDSACASA-N 0 3 209.264 2.326 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c([O-])c1 ZINC000042545120 964827529 /nfs/dbraw/zinc/82/75/29/964827529.db2.gz AQDJKZBSGSBENA-VXGBXAGGSA-N 0 3 234.343 2.055 20 10 BECDHN C[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000699773175 966080623 /nfs/dbraw/zinc/08/06/23/966080623.db2.gz GBBZOVUWLIHJKY-JLLWLGSASA-N 0 3 233.311 2.004 20 10 BECDHN CC[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccccc1[O-] ZINC000699791437 966093046 /nfs/dbraw/zinc/09/30/46/966093046.db2.gz UBPVMSQMHOAREI-WCFLWFBJSA-N 0 3 235.327 2.468 20 10 BECDHN Cc1nccnc1CN[C@H](C)c1ccccc1O ZINC000699949094 966262770 /nfs/dbraw/zinc/26/27/70/966262770.db2.gz ZTQWMCAJOZKNIU-SNVBAGLBSA-N 0 3 243.310 2.341 20 10 BECDHN COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001236807301 966546780 /nfs/dbraw/zinc/54/67/80/966546780.db2.gz FQCNBTHZNDNRBP-PHIMTYICSA-N 0 3 233.311 2.161 20 10 BECDHN COc1cc(C)c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001236807301 966546796 /nfs/dbraw/zinc/54/67/96/966546796.db2.gz FQCNBTHZNDNRBP-PHIMTYICSA-N 0 3 233.311 2.161 20 10 BECDHN Cc1cc([O-])c(CN(C)C[C@H](C)[NH3+])cc1Cl ZINC001236905132 966612179 /nfs/dbraw/zinc/61/21/79/966612179.db2.gz YFUVRRMVWLXWQY-VIFPVBQESA-N 0 3 242.750 2.133 20 10 BECDHN C[C@@H]1CCN(Cc2ccccc2O)CCC1=O ZINC001203550138 966680142 /nfs/dbraw/zinc/68/01/42/966680142.db2.gz JIHDMFGMOXKPCN-LLVKDONJSA-N 0 3 233.311 2.193 20 10 BECDHN CC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203556129 966691639 /nfs/dbraw/zinc/69/16/39/966691639.db2.gz KMGHLAGWEFMANN-LBPRGKRZSA-N 0 3 233.311 2.193 20 10 BECDHN CC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203556129 966691642 /nfs/dbraw/zinc/69/16/42/966691642.db2.gz KMGHLAGWEFMANN-LBPRGKRZSA-N 0 3 233.311 2.193 20 10 BECDHN COc1ccc(O)c(CN2CC3(CCC3)C2)c1 ZINC001203670302 966732569 /nfs/dbraw/zinc/73/25/69/966732569.db2.gz MQXGDNBDWRUKEL-UHFFFAOYSA-N 0 3 233.311 2.387 20 10 BECDHN Oc1ccc(CN2CCC3(CC3)CC2)cc1O ZINC001203875894 966806812 /nfs/dbraw/zinc/80/68/12/966806812.db2.gz YBTHRGQWQNHAAG-UHFFFAOYSA-N 0 3 233.311 2.474 20 10 BECDHN CN(C)c1ccc(CN2CC3(CSC3)C2)cc1 ZINC001203937184 966825539 /nfs/dbraw/zinc/82/55/39/966825539.db2.gz OTUUCDLVXCICKB-UHFFFAOYSA-N 0 3 248.395 2.301 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001203550306 966935062 /nfs/dbraw/zinc/93/50/62/966935062.db2.gz QYHZQQAPEMZRHM-IUODEOHRSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CCCO[C@@H]2C1 ZINC001203550306 966935070 /nfs/dbraw/zinc/93/50/70/966935070.db2.gz QYHZQQAPEMZRHM-IUODEOHRSA-N 0 3 247.338 2.393 20 10 BECDHN CC[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204275345 966951667 /nfs/dbraw/zinc/95/16/67/966951667.db2.gz OUSFQKYNESQLLF-LLVKDONJSA-N 0 3 221.300 2.472 20 10 BECDHN CC[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204275345 966951671 /nfs/dbraw/zinc/95/16/71/966951671.db2.gz OUSFQKYNESQLLF-LLVKDONJSA-N 0 3 221.300 2.472 20 10 BECDHN Oc1ccccc1CN1CCc2ccncc2C1 ZINC001203556507 966974640 /nfs/dbraw/zinc/97/46/40/966974640.db2.gz RECYGSKTOZKRSR-UHFFFAOYSA-N 0 3 240.306 2.346 20 10 BECDHN Nc1ccc(NC(=O)[C@H](N)C2CCCCC2)cc1 ZINC001118256583 968095892 /nfs/dbraw/zinc/09/58/92/968095892.db2.gz YCLXYPWNSVYTIM-CYBMUJFWSA-N 0 3 247.342 2.115 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1CCC=CO1)CC2 ZINC001208883691 969273452 /nfs/dbraw/zinc/27/34/52/969273452.db2.gz XQPRTFBNFRTNCH-ZDUSSCGKSA-N 0 3 245.322 2.443 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1CCC=CO1)CC2 ZINC001208883691 969273455 /nfs/dbraw/zinc/27/34/55/969273455.db2.gz XQPRTFBNFRTNCH-ZDUSSCGKSA-N 0 3 245.322 2.443 20 10 BECDHN C[C@@H]1C[C@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209434348 969509746 /nfs/dbraw/zinc/50/97/46/969509746.db2.gz YBIGTXODZKBKGT-PWSUYJOCSA-N 0 3 217.312 2.406 20 10 BECDHN C[C@@H]1C[C@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001209434348 969509751 /nfs/dbraw/zinc/50/97/51/969509751.db2.gz YBIGTXODZKBKGT-PWSUYJOCSA-N 0 3 217.312 2.406 20 10 BECDHN CO[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC001331074200 974585958 /nfs/dbraw/zinc/58/59/58/974585958.db2.gz ALWCKANFOLSFGU-OLZOCXBDSA-N 0 3 235.327 2.358 20 10 BECDHN COc1cc(CN2CC3(CCC3)C2)c(O)cc1O ZINC001231633605 977655987 /nfs/dbraw/zinc/65/59/87/977655987.db2.gz QIHZURWZJLRHOE-UHFFFAOYSA-N 0 3 249.310 2.092 20 10 BECDHN Cc1cc(C)c(CN2CCOC3(CC3)C2)c(O)c1 ZINC001231851088 977768373 /nfs/dbraw/zinc/76/83/73/977768373.db2.gz ZPEWNSMULFRPOJ-UHFFFAOYSA-N 0 3 247.338 2.374 20 10 BECDHN CN(C)c1ccc(CN2CC[C@@H](F)C2)c(O)c1 ZINC001232836242 978309364 /nfs/dbraw/zinc/30/93/64/978309364.db2.gz MHSQDJWTTVDSEI-LLVKDONJSA-N 0 3 238.306 2.002 20 10 BECDHN CCc1ccc(C[NH+]2CC([C@H](C)OC)C2)c([O-])c1 ZINC001236788911 979727260 /nfs/dbraw/zinc/72/72/60/979727260.db2.gz SRSWXAHGYDVECJ-NSHDSACASA-N 0 3 249.354 2.421 20 10 BECDHN CCc1ccc(C[N@H+](C)CC2(C)COC2)c([O-])c1 ZINC001236791054 979734775 /nfs/dbraw/zinc/73/47/75/979734775.db2.gz CCXZVCGHNSSBAF-UHFFFAOYSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[N@@H+](C)CC2(C)COC2)c([O-])c1 ZINC001236791054 979734779 /nfs/dbraw/zinc/73/47/79/979734779.db2.gz CCXZVCGHNSSBAF-UHFFFAOYSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001236785096 979734876 /nfs/dbraw/zinc/73/48/76/979734876.db2.gz FJTMIOKXWYTBNH-UKRRQHHQSA-N 0 3 247.338 2.318 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001236785096 979734882 /nfs/dbraw/zinc/73/48/82/979734882.db2.gz FJTMIOKXWYTBNH-UKRRQHHQSA-N 0 3 247.338 2.318 20 10 BECDHN CC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489558 979908303 /nfs/dbraw/zinc/90/83/03/979908303.db2.gz BXFXUWFMFKGQLA-GFCCVEGCSA-N 0 3 233.311 2.112 20 10 BECDHN CC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237489558 979908310 /nfs/dbraw/zinc/90/83/10/979908310.db2.gz BXFXUWFMFKGQLA-GFCCVEGCSA-N 0 3 233.311 2.112 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC[C@@H]1CO ZINC001237482153 979911383 /nfs/dbraw/zinc/91/13/83/979911383.db2.gz JXTXQLITBOTZHM-GFCCVEGCSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCC[C@@H]1CO ZINC001237482153 979911388 /nfs/dbraw/zinc/91/13/88/979911388.db2.gz JXTXQLITBOTZHM-GFCCVEGCSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC[C@](C)(O)C1 ZINC001237486216 979911877 /nfs/dbraw/zinc/91/18/77/979911877.db2.gz YHTVYSDIDAXXTB-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCC[C@](C)(O)C1 ZINC001237486216 979911885 /nfs/dbraw/zinc/91/18/85/979911885.db2.gz YHTVYSDIDAXXTB-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(O)c1CN1C[C@@H](C)OC[C@@H]1C ZINC001237490754 979916064 /nfs/dbraw/zinc/91/60/64/979916064.db2.gz ATOJHZBLULCMGU-NWDGAFQWSA-N 0 3 235.327 2.310 20 10 BECDHN CO[C@@H](C)C1C[NH+](Cc2c(C)cccc2[O-])C1 ZINC001237494404 979920005 /nfs/dbraw/zinc/92/00/05/979920005.db2.gz HYNXWFQVRQTDFP-NSHDSACASA-N 0 3 235.327 2.167 20 10 BECDHN C[C@@]1(CF)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874734 982548187 /nfs/dbraw/zinc/54/81/87/982548187.db2.gz CEEKQLANYZMXTQ-ZDUSSCGKSA-N 0 3 239.290 2.279 20 10 BECDHN Cc1nn(C)cc1[C@H](C)NCc1ccc(N)cc1 ZINC001356082859 983572693 /nfs/dbraw/zinc/57/26/93/983572693.db2.gz GALHZAYPFXZGCI-JTQLQIEISA-N 0 3 244.342 2.162 20 10 BECDHN COCC1(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000691805904 983793206 /nfs/dbraw/zinc/79/32/06/983793206.db2.gz HJDOGOBUWPWGLH-LLVKDONJSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2[O-])[C@H](C)O1 ZINC000686515628 985124681 /nfs/dbraw/zinc/12/46/81/985124681.db2.gz UFHCTCKLYODDPQ-NTZNESFSSA-N 0 3 235.327 2.295 20 10 BECDHN CO[C@@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000687213442 985270534 /nfs/dbraw/zinc/27/05/34/985270534.db2.gz WABOOYGSNSVHGW-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000687213442 985270557 /nfs/dbraw/zinc/27/05/57/985270557.db2.gz WABOOYGSNSVHGW-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN Nc1ccc(CN[C@@H]2C[C@H]2C(F)(F)F)cc1 ZINC001580447051 986852820 /nfs/dbraw/zinc/85/28/20/986852820.db2.gz OYJQAVGRDSHQQJ-NXEZZACHSA-N 0 3 230.233 2.309 20 10 BECDHN CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000694325411 987324464 /nfs/dbraw/zinc/32/44/64/987324464.db2.gz WAAACIRLDDBTFD-QKCSRTOESA-N 0 3 233.311 2.147 20 10 BECDHN C[C@@H]1C[C@@H](F)CN1Cc1c(O)cccc1F ZINC001137831846 990857675 /nfs/dbraw/zinc/85/76/75/990857675.db2.gz PRFNPENZYQWOSG-RKDXNWHRSA-N 0 3 227.254 2.464 20 10 BECDHN CCC1(C[N@H+](C)Cc2ccccc2[O-])COC1 ZINC001202963658 991339976 /nfs/dbraw/zinc/33/99/76/991339976.db2.gz DECGHOBOXNREHZ-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN CCC1(C[N@@H+](C)Cc2ccccc2[O-])COC1 ZINC001202963658 991339987 /nfs/dbraw/zinc/33/99/87/991339987.db2.gz DECGHOBOXNREHZ-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1[O-] ZINC000392625696 993875671 /nfs/dbraw/zinc/87/56/71/993875671.db2.gz GEHPNTAIJZMJMX-JTQLQIEISA-N 0 3 244.294 2.344 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)[C@@H](C)O ZINC001615686621 1170529195 /nfs/dbraw/zinc/52/91/95/1170529195.db2.gz RSROWVGUFAHEBF-NWDGAFQWSA-N 0 3 237.343 2.374 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)[C@@H](C)O ZINC001615686621 1170529199 /nfs/dbraw/zinc/52/91/99/1170529199.db2.gz RSROWVGUFAHEBF-NWDGAFQWSA-N 0 3 237.343 2.374 20 10 BECDHN Cc1cc(Cl)cc(C[N@@H+](C)[C@@H](C)CO)c1[O-] ZINC000289467618 178063437 /nfs/dbraw/zinc/06/34/37/178063437.db2.gz PBTQUISPFWMFSO-VIFPVBQESA-N 0 3 243.734 2.167 20 10 BECDHN Cc1cc(Cl)cc(C[N@H+](C)[C@@H](C)CO)c1[O-] ZINC000289467618 178063440 /nfs/dbraw/zinc/06/34/40/178063440.db2.gz PBTQUISPFWMFSO-VIFPVBQESA-N 0 3 243.734 2.167 20 10 BECDHN Cc1cc(Cl)cc(C[N@@H+](C)C[C@H](C)O)c1[O-] ZINC000130690814 178064125 /nfs/dbraw/zinc/06/41/25/178064125.db2.gz XPAWTJZMRODCBE-VIFPVBQESA-N 0 3 243.734 2.167 20 10 BECDHN Cc1cc(Cl)cc(C[N@H+](C)C[C@H](C)O)c1[O-] ZINC000130690814 178064128 /nfs/dbraw/zinc/06/41/28/178064128.db2.gz XPAWTJZMRODCBE-VIFPVBQESA-N 0 3 243.734 2.167 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCOC[C@@H](C)C2)cc1C ZINC000372230879 178195377 /nfs/dbraw/zinc/19/53/77/178195377.db2.gz HSZUFOCPQLZJRF-NSHDSACASA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCOC[C@@H](C)C2)cc1C ZINC000372230879 178195378 /nfs/dbraw/zinc/19/53/78/178195378.db2.gz HSZUFOCPQLZJRF-NSHDSACASA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)cc1C ZINC000289706376 178195688 /nfs/dbraw/zinc/19/56/88/178195688.db2.gz OTOFVAYDZKIEOM-ZIAGYGMSSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)[C@@H]2CCC[C@H]2O)cc1C ZINC000289706376 178195689 /nfs/dbraw/zinc/19/56/89/178195689.db2.gz OTOFVAYDZKIEOM-ZIAGYGMSSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@H](O)C2)cc1C ZINC000188829740 178197379 /nfs/dbraw/zinc/19/73/79/178197379.db2.gz RPJVHIXYONRMCG-OCCSQVGLSA-N 0 3 249.354 2.260 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)cc1C ZINC000189347875 178197667 /nfs/dbraw/zinc/19/76/67/178197667.db2.gz FMQGBMZMTDRNJS-ZIAGYGMSSA-N 0 3 249.354 2.258 20 10 BECDHN CC[C@H]([NH2+]CCCOC)c1ccccc1[O-] ZINC000020142595 342971666 /nfs/dbraw/zinc/97/16/66/342971666.db2.gz XLGBGNGBGSLVPB-LBPRGKRZSA-N 0 3 223.316 2.469 20 10 BECDHN CO[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000293735986 187242439 /nfs/dbraw/zinc/24/24/39/187242439.db2.gz VIAJOUJIRMKQKR-ZDUSSCGKSA-N 0 3 239.290 2.046 20 10 BECDHN C[C@H](CN1CCCCC1)[NH2+]Cc1ccccc1[O-] ZINC000037153508 343336900 /nfs/dbraw/zinc/33/69/00/343336900.db2.gz GMCQOKTUFRXJMW-CYBMUJFWSA-N 0 3 248.370 2.356 20 10 BECDHN CC[C@@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879038 343456528 /nfs/dbraw/zinc/45/65/28/343456528.db2.gz CQNJEBYOVAVNMN-MRVPVSSYSA-N 0 3 223.272 2.009 20 10 BECDHN CC(C)[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168777559 187303310 /nfs/dbraw/zinc/30/33/10/187303310.db2.gz NJBVQGHAKUFJKF-TVQRCGJNSA-N 0 3 241.306 2.199 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)O)c([O-])c1C ZINC000134899774 178889925 /nfs/dbraw/zinc/88/99/25/178889925.db2.gz XDDOVHDHPNBKKI-KOLCDFICSA-N 0 3 223.316 2.040 20 10 BECDHN Cc1cccc(C[NH+]2CC([C@H]3CCOC3)C2)c1[O-] ZINC000366249386 179073588 /nfs/dbraw/zinc/07/35/88/179073588.db2.gz JUNVWCFJYBZLEO-ZDUSSCGKSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000293824529 179075693 /nfs/dbraw/zinc/07/56/93/179075693.db2.gz AHASFLSNLFZREG-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000293824529 179075699 /nfs/dbraw/zinc/07/56/99/179075699.db2.gz AHASFLSNLFZREG-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c1[O-] ZINC000279713695 179076789 /nfs/dbraw/zinc/07/67/89/179076789.db2.gz SVEHVORUJIDYKR-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@](C)(O)CC2)c1[O-] ZINC000279713695 179076791 /nfs/dbraw/zinc/07/67/91/179076791.db2.gz SVEHVORUJIDYKR-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000179667202 179084504 /nfs/dbraw/zinc/08/45/04/179084504.db2.gz HOSUJZXIGHEXEK-PBWFPOADSA-N 0 3 247.338 2.188 20 10 BECDHN Cc1cccc(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1[O-] ZINC000179667202 179084507 /nfs/dbraw/zinc/08/45/07/179084507.db2.gz HOSUJZXIGHEXEK-PBWFPOADSA-N 0 3 247.338 2.188 20 10 BECDHN Cc1cccc(C[NH2+]CC2CCOCC2)c1[O-] ZINC000124760080 179090191 /nfs/dbraw/zinc/09/01/91/179090191.db2.gz HYBQEEMUJXIYCF-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H]2CCCCO2)c1[O-] ZINC000124739054 179091310 /nfs/dbraw/zinc/09/13/10/179091310.db2.gz HUDAYLQNCHGOBB-ZDUSSCGKSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc(C[NH2+]CCCn2cccn2)c1[O-] ZINC000135753805 179092236 /nfs/dbraw/zinc/09/22/36/179092236.db2.gz AIQSCWIHSCSIHA-UHFFFAOYSA-N 0 3 245.326 2.077 20 10 BECDHN Cc1cccc(C[NH2+]CCCn2ccnc2)c1[O-] ZINC000083374217 179092801 /nfs/dbraw/zinc/09/28/01/179092801.db2.gz WQJBCIUVYAMEKS-UHFFFAOYSA-N 0 3 245.326 2.077 20 10 BECDHN Cc1cccc(C[NH2+]CCc2cccnc2)c1[O-] ZINC000161122482 179092852 /nfs/dbraw/zinc/09/28/52/179092852.db2.gz QJMUEGMKEJANLO-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1[O-] ZINC000289863767 179093264 /nfs/dbraw/zinc/09/32/64/179093264.db2.gz VMGLGBWIMILOOA-QWHCGFSZSA-N 0 3 249.354 2.463 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](CO)C2CCCC2)c1[O-] ZINC000290966883 179097898 /nfs/dbraw/zinc/09/78/98/179097898.db2.gz SASPMFXLRBAPFH-AWEZNQCLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1[O-] ZINC000124699592 179100467 /nfs/dbraw/zinc/10/04/67/179100467.db2.gz QNRHYCSKHREYFD-GFCCVEGCSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1[O-] ZINC000294722023 179101821 /nfs/dbraw/zinc/10/18/21/179101821.db2.gz FPCGXMPSGIVOHC-LBPRGKRZSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000123535304 188016109 /nfs/dbraw/zinc/01/61/09/188016109.db2.gz XEBBZEAMOWJRLW-MNOVXSKESA-N 0 3 205.301 2.446 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCC[C@H](C)CO)c1 ZINC000230160731 188362492 /nfs/dbraw/zinc/36/24/92/188362492.db2.gz WYDOPYULGKEOSV-LBPRGKRZSA-N 0 3 237.343 2.199 20 10 BECDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])C(C)(C)O ZINC000292942440 359353691 /nfs/dbraw/zinc/35/36/91/359353691.db2.gz HZGPYMBDLTUSSN-GFCCVEGCSA-N 0 3 223.316 2.031 20 10 BECDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)(C)O ZINC000293613901 364693635 /nfs/dbraw/zinc/69/36/35/364693635.db2.gz KEFBMXWQJCZXCK-GFCCVEGCSA-N 0 3 241.306 2.170 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](C)OC ZINC000291150551 364770999 /nfs/dbraw/zinc/77/09/99/364770999.db2.gz ZJPZNXWOYXAKMF-NSHDSACASA-N 0 3 223.316 2.249 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](C)OC ZINC000291150551 364771002 /nfs/dbraw/zinc/77/10/02/364771002.db2.gz ZJPZNXWOYXAKMF-NSHDSACASA-N 0 3 223.316 2.249 20 10 BECDHN CC(C)OCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296576793 364784908 /nfs/dbraw/zinc/78/49/08/364784908.db2.gz VQFWQXZBXIINBQ-GFCCVEGCSA-N 0 3 235.327 2.394 20 10 BECDHN [O-]c1ccccc1C[NH+]1CCC(CCCO)CC1 ZINC000272965347 183044255 /nfs/dbraw/zinc/04/42/55/183044255.db2.gz QTWZSYIEXQGEDU-UHFFFAOYSA-N 0 3 249.354 2.377 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000153141998 183123629 /nfs/dbraw/zinc/12/36/29/183123629.db2.gz XDEWQPDCEGWAST-BJHJDKERSA-N 0 3 235.327 2.033 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCSC1 ZINC000229417653 183275749 /nfs/dbraw/zinc/27/57/49/183275749.db2.gz AOAPASSDXFWEPA-VIFPVBQESA-N 0 3 241.331 2.374 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCOCC1)CC2 ZINC000295923151 183296674 /nfs/dbraw/zinc/29/66/74/183296674.db2.gz JUGPOJXZPMJNBU-LBPRGKRZSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCCO1)CC2 ZINC000295939079 183297103 /nfs/dbraw/zinc/29/71/03/183297103.db2.gz KTUUCZHGLYYODG-NEPJUHHUSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1CC1)CC2 ZINC000295928723 183297331 /nfs/dbraw/zinc/29/73/31/183297331.db2.gz KDWJBOXWKYOHRJ-NSHDSACASA-N 0 3 203.285 2.379 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC1(O)CCC1)CC2 ZINC000296241111 183297498 /nfs/dbraw/zinc/29/74/98/183297498.db2.gz AWACOSKVEIYYHI-LBPRGKRZSA-N 0 3 247.338 2.274 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CCCCO1 ZINC000227339848 183303243 /nfs/dbraw/zinc/30/32/43/183303243.db2.gz VAWBIFHQNNAVOF-ZDUSSCGKSA-N 0 3 235.327 2.441 20 10 BECDHN C[C@@H](CCCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000087358108 383828227 /nfs/dbraw/zinc/82/82/27/383828227.db2.gz NEVWYRKWBFCXHF-QWRGUYRKSA-N 0 3 223.316 2.204 20 10 BECDHN CCOCC[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000036228767 383889155 /nfs/dbraw/zinc/88/91/55/383889155.db2.gz JSCRYELUYRVLQM-LBPRGKRZSA-N 0 3 223.316 2.469 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCOC2)c1 ZINC000037738586 384003644 /nfs/dbraw/zinc/00/36/44/384003644.db2.gz SAQPCAAYTPBTER-VXGBXAGGSA-N 0 3 235.327 2.388 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038088024 384068348 /nfs/dbraw/zinc/06/83/48/384068348.db2.gz BBAARNRQHWOGSC-NEPJUHHUSA-N 0 3 236.359 2.301 20 10 BECDHN CO[C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000091772170 384143127 /nfs/dbraw/zinc/14/31/27/384143127.db2.gz PRPZQXXWOQPUNR-OAHLLOKOSA-N 0 3 248.370 2.363 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000094617630 384307169 /nfs/dbraw/zinc/30/71/69/384307169.db2.gz KGWNBDVENJSAGH-NXEZZACHSA-N 0 3 239.290 2.218 20 10 BECDHN C[C@@H]([NH2+]CCn1ccnc1)c1cc(F)ccc1[O-] ZINC000094617846 384307343 /nfs/dbraw/zinc/30/73/43/384307343.db2.gz XUJFASIECMZWSH-SNVBAGLBSA-N 0 3 249.289 2.079 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000094616770 384307821 /nfs/dbraw/zinc/30/78/21/384307821.db2.gz HKWNJFYQTKCCNE-KOLCDFICSA-N 0 3 239.290 2.361 20 10 BECDHN CC[C@@H]([NH2+]CC1(C)COC1)c1ccccc1[O-] ZINC000094721898 384310129 /nfs/dbraw/zinc/31/01/29/384310129.db2.gz JFEJADUCHWFRHA-GFCCVEGCSA-N 0 3 235.327 2.469 20 10 BECDHN CCC[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297649156 384310700 /nfs/dbraw/zinc/31/07/00/384310700.db2.gz KCKVAJMVFZEAIR-NEPJUHHUSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H]([NH2+]CC1(C)COC1)c1cc(F)ccc1[O-] ZINC000094721962 384310960 /nfs/dbraw/zinc/31/09/60/384310960.db2.gz CDUUKUFILYQHRU-VIFPVBQESA-N 0 3 239.290 2.218 20 10 BECDHN CCC(O)(CC)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000078638566 384453296 /nfs/dbraw/zinc/45/32/96/384453296.db2.gz WHBUWNNEQUXNQW-UHFFFAOYSA-N 0 3 237.343 2.341 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000096513990 384464792 /nfs/dbraw/zinc/46/47/92/384464792.db2.gz ODKWZJXNCLVTOG-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])CC1CCOCC1 ZINC000096513990 384464797 /nfs/dbraw/zinc/46/47/97/384464797.db2.gz ODKWZJXNCLVTOG-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN C[C@H]([NH2+]CCCO)c1cc2c(cc1[O-])CCCC2 ZINC000184841227 384657449 /nfs/dbraw/zinc/65/74/49/384657449.db2.gz SKPUPPWLCHPODC-NSHDSACASA-N 0 3 249.354 2.304 20 10 BECDHN COCC[C@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000162834413 384697671 /nfs/dbraw/zinc/69/76/71/384697671.db2.gz GRNFECDVJJDIBG-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN CC[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000083461961 384773296 /nfs/dbraw/zinc/77/32/96/384773296.db2.gz KQVVSISHPJHXBP-GWCFXTLKSA-N 0 3 223.316 2.204 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC[C@@H](C)O)c([O-])c1 ZINC000082993383 384734218 /nfs/dbraw/zinc/73/42/18/384734218.db2.gz VQYXCZZHHVCBJF-MNOVXSKESA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)O)c([O-])c1 ZINC000082993385 384734505 /nfs/dbraw/zinc/73/45/05/384734505.db2.gz VQYXCZZHHVCBJF-WDEREUQCSA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000082992800 384734829 /nfs/dbraw/zinc/73/48/29/384734829.db2.gz LSVNJQALSNKPIT-MNOVXSKESA-N 0 3 223.316 2.122 20 10 BECDHN CCOc1ccc([O-])c(C[N@H+](C)CC)c1 ZINC000126311745 384791831 /nfs/dbraw/zinc/79/18/31/384791831.db2.gz BRHKISBZUOMTDO-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN CCOc1ccc([O-])c(C[N@@H+](C)CC)c1 ZINC000126311745 384791836 /nfs/dbraw/zinc/79/18/36/384791836.db2.gz BRHKISBZUOMTDO-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000186790428 384884507 /nfs/dbraw/zinc/88/45/07/384884507.db2.gz FTQQCDKBHHFZSZ-MPKXVKKWSA-N 0 3 235.327 2.346 20 10 BECDHN CCC[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000163994998 384895654 /nfs/dbraw/zinc/89/56/54/384895654.db2.gz IWGXXTQGVGOMGB-ZDUSSCGKSA-N 0 3 223.316 2.033 20 10 BECDHN C[C@@H]([NH2+]CC1(C)COC1)c1ccccc1[O-] ZINC000087197193 385083188 /nfs/dbraw/zinc/08/31/88/385083188.db2.gz BENQWQMNUVDKLB-SNVBAGLBSA-N 0 3 221.300 2.079 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1 ZINC000189942244 385197760 /nfs/dbraw/zinc/19/77/60/385197760.db2.gz QYFNPGMYYINFRH-TZMCWYRMSA-N 0 3 249.354 2.341 20 10 BECDHN CC(C)(O)C[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000189941388 385199941 /nfs/dbraw/zinc/19/99/41/385199941.db2.gz OXIZIBJDMGRLEE-UHFFFAOYSA-N 0 3 235.327 2.128 20 10 BECDHN CC(C)(O)C[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000189941388 385199950 /nfs/dbraw/zinc/19/99/50/385199950.db2.gz OXIZIBJDMGRLEE-UHFFFAOYSA-N 0 3 235.327 2.128 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)c1 ZINC000129549837 385162408 /nfs/dbraw/zinc/16/24/08/385162408.db2.gz XRPZXIUSMOHKKR-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@](C)(O)C2)c1 ZINC000129549837 385162413 /nfs/dbraw/zinc/16/24/13/385162413.db2.gz XRPZXIUSMOHKKR-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN COc1ccc(CN[C@@H]2C[C@H](O)C2(C)C)cc1C ZINC000129579779 385167056 /nfs/dbraw/zinc/16/70/56/385167056.db2.gz CTQUJXKNJWGVTF-KGLIPLIRSA-N 0 3 249.354 2.253 20 10 BECDHN C[N@H+](CC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000191660290 385312760 /nfs/dbraw/zinc/31/27/60/385312760.db2.gz XOVSICGDKBWJSJ-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@@H+](CC[C@H]1CCCO1)Cc1ccccc1[O-] ZINC000191660290 385312764 /nfs/dbraw/zinc/31/27/64/385312764.db2.gz XOVSICGDKBWJSJ-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CC[C@]1(C)CN(Cc2ccccc2O)CCO1 ZINC000191148557 385286438 /nfs/dbraw/zinc/28/64/38/385286438.db2.gz JSBLLSAPXHMZCZ-CQSZACIVSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000191210522 385293139 /nfs/dbraw/zinc/29/31/39/385293139.db2.gz ZDJRDIJZURWGSH-BDAKNGLRSA-N 0 3 227.279 2.217 20 10 BECDHN CO[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000191206373 385293505 /nfs/dbraw/zinc/29/35/05/385293505.db2.gz HSHNDXZTHAETJO-GHMZBOCLSA-N 0 3 223.316 2.386 20 10 BECDHN CCC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168772854 385384982 /nfs/dbraw/zinc/38/49/82/385384982.db2.gz UPEJDQINQRGQLU-KOLCDFICSA-N 0 3 241.306 2.343 20 10 BECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCSC1 ZINC000179928254 385500899 /nfs/dbraw/zinc/50/08/99/385500899.db2.gz BXPORSQPLSQJIK-NSHDSACASA-N 0 3 241.331 2.469 20 10 BECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCSC1 ZINC000179928254 385500902 /nfs/dbraw/zinc/50/09/02/385500902.db2.gz BXPORSQPLSQJIK-NSHDSACASA-N 0 3 241.331 2.469 20 10 BECDHN CC[C@H](O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000229966630 385694355 /nfs/dbraw/zinc/69/43/55/385694355.db2.gz WXLXODWVXDLBMN-MNOVXSKESA-N 0 3 223.316 2.122 20 10 BECDHN CO[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H](C)C1 ZINC000282171350 385738632 /nfs/dbraw/zinc/73/86/32/385738632.db2.gz FAPHZQFJWLIAIS-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H](C)C1 ZINC000282171350 385738635 /nfs/dbraw/zinc/73/86/35/385738635.db2.gz FAPHZQFJWLIAIS-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H](C)C1 ZINC000282171364 385739435 /nfs/dbraw/zinc/73/94/35/385739435.db2.gz FAPHZQFJWLIAIS-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H](C)C1 ZINC000282171364 385739440 /nfs/dbraw/zinc/73/94/40/385739440.db2.gz FAPHZQFJWLIAIS-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000189120142 385938044 /nfs/dbraw/zinc/93/80/44/385938044.db2.gz GEQOKRDZSQMVOY-QWRGUYRKSA-N 0 3 223.316 2.214 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CO)c([O-])c1C ZINC000273399467 385994032 /nfs/dbraw/zinc/99/40/32/385994032.db2.gz MTAWWMCLWVFSGJ-JOYOIKCWSA-N 0 3 237.343 2.288 20 10 BECDHN CC[C@H]([NH2+]CCN(C)C)c1ccc(C)cc1[O-] ZINC000286903063 386084259 /nfs/dbraw/zinc/08/42/59/386084259.db2.gz DQVQWTCRIFEOIS-ZDUSSCGKSA-N 0 3 236.359 2.303 20 10 BECDHN C[C@H](CO)[N@@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000289389211 386295939 /nfs/dbraw/zinc/29/59/39/386295939.db2.gz NIQDWKIRTPAYJQ-GFCCVEGCSA-N 0 3 249.354 2.375 20 10 BECDHN C[C@H](CO)[N@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000289389211 386295946 /nfs/dbraw/zinc/29/59/46/386295946.db2.gz NIQDWKIRTPAYJQ-GFCCVEGCSA-N 0 3 249.354 2.375 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000226617584 386345337 /nfs/dbraw/zinc/34/53/37/386345337.db2.gz STTYLWNMTUXDOR-BXKDBHETSA-N 0 3 239.290 2.188 20 10 BECDHN CC(C)[C@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611751 386345591 /nfs/dbraw/zinc/34/55/91/386345591.db2.gz KPGLBSULRAJNER-LBPRGKRZSA-N 0 3 241.306 2.028 20 10 BECDHN Cc1ccc([C@@H](O)C[NH2+]Cc2ccccc2[O-])o1 ZINC000265962882 386387047 /nfs/dbraw/zinc/38/70/47/386387047.db2.gz JKRJGFCOBOPYIX-ZDUSSCGKSA-N 0 3 247.294 2.117 20 10 BECDHN CC(C)(C)C[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000227374952 386480682 /nfs/dbraw/zinc/48/06/82/386480682.db2.gz MPPDHRKDFGAYEO-LBPRGKRZSA-N 0 3 237.343 2.279 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](C)[C@H]2CCOC2)c1 ZINC000135215550 386490295 /nfs/dbraw/zinc/49/02/95/386490295.db2.gz BTNHTHVFINDMIB-NEPJUHHUSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCOC[C@H]2C)c1 ZINC000277665334 386456851 /nfs/dbraw/zinc/45/68/51/386456851.db2.gz FURICZMGTMVKNF-YPMHNXCESA-N 0 3 235.327 2.215 20 10 BECDHN CO[C@H](C)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000191146284 386765303 /nfs/dbraw/zinc/76/53/03/386765303.db2.gz DKSDHAZGIMIFFT-LLVKDONJSA-N 0 3 223.316 2.134 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CCO)c([O-])c1 ZINC000293251778 386793237 /nfs/dbraw/zinc/79/32/37/386793237.db2.gz BPIMSNDITZRJDV-NWDGAFQWSA-N 0 3 237.343 2.431 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)CO)c1ccc(C)cc1[O-] ZINC000280036708 386772486 /nfs/dbraw/zinc/77/24/86/386772486.db2.gz IMJAAHLJJKNOCI-WCQYABFASA-N 0 3 237.343 2.370 20 10 BECDHN CO[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000272347815 387449666 /nfs/dbraw/zinc/44/96/66/387449666.db2.gz CTEIVUNWYXKIJM-CYBMUJFWSA-N 0 3 241.306 2.292 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2COC2)c([O-])c1 ZINC000528024277 387828212 /nfs/dbraw/zinc/82/82/12/387828212.db2.gz DQKWGJHQZPLLNT-NSHDSACASA-N 0 3 235.327 2.306 20 10 BECDHN CO[C@H](CNCc1ccc2c(c1)CCO2)C1CC1 ZINC000293140992 387877649 /nfs/dbraw/zinc/87/76/49/387877649.db2.gz UFVXYCODZRKYMT-OAHLLOKOSA-N 0 3 247.338 2.136 20 10 BECDHN CC[C@@H](COC)NCc1ccc2c(c1)CCO2 ZINC000079737337 387956042 /nfs/dbraw/zinc/95/60/42/387956042.db2.gz SOEAVOWBQUOYCF-ZDUSSCGKSA-N 0 3 235.327 2.136 20 10 BECDHN C[C@H](CF)NCc1ccc(N(C)C)cc1 ZINC000288398291 388411447 /nfs/dbraw/zinc/41/14/47/388411447.db2.gz HSYIQZNYLDOIIQ-SNVBAGLBSA-N 0 3 210.296 2.200 20 10 BECDHN CCOCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295989571 388415701 /nfs/dbraw/zinc/41/57/01/388415701.db2.gz NROSSGIBLCCNFW-LLVKDONJSA-N 0 3 221.300 2.006 20 10 BECDHN COC[C@@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295996721 388417334 /nfs/dbraw/zinc/41/73/34/388417334.db2.gz OBXCSYSYYAJWLS-JQWIXIFHSA-N 0 3 235.327 2.252 20 10 BECDHN CC(C)(O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296627769 388425406 /nfs/dbraw/zinc/42/54/06/388425406.db2.gz ZPYNJUNZPFKZAS-NSHDSACASA-N 0 3 235.327 2.130 20 10 BECDHN CC(C)(O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296627766 388425746 /nfs/dbraw/zinc/42/57/46/388425746.db2.gz ZPYNJUNZPFKZAS-LLVKDONJSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)c1cn[nH]c1 ZINC000296670247 388425759 /nfs/dbraw/zinc/42/57/59/388425759.db2.gz FUMUVMUVZLREHZ-CABZTGNLSA-N 0 3 243.310 2.453 20 10 BECDHN C[C@H](CCO)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297459621 388429403 /nfs/dbraw/zinc/42/94/03/388429403.db2.gz XREUHZHZKGXUHC-WCQYABFASA-N 0 3 249.354 2.378 20 10 BECDHN COc1cccc(C[NH2+]CC2CC=CC2)c1[O-] ZINC000527751166 388699107 /nfs/dbraw/zinc/69/91/07/388699107.db2.gz RLDDGNWAHLDFSK-UHFFFAOYSA-N 0 3 233.311 2.457 20 10 BECDHN CSC[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610792 388723557 /nfs/dbraw/zinc/72/35/57/388723557.db2.gz MWXHWGJSEBTXRK-MRVPVSSYSA-N 0 3 229.320 2.372 20 10 BECDHN CO[C@@H](C)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000271851349 389025198 /nfs/dbraw/zinc/02/51/98/389025198.db2.gz IQVXJPIEOJXEQM-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCO1 ZINC000179917864 398048719 /nfs/dbraw/zinc/04/87/19/398048719.db2.gz KLWZDGCTONPTSM-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCCO1 ZINC000179917864 398048726 /nfs/dbraw/zinc/04/87/26/398048726.db2.gz KLWZDGCTONPTSM-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN CC[C@H](C(=O)Nc1ccc(N)cc1)N(CC)CC ZINC000062460853 171233978 /nfs/dbraw/zinc/23/39/78/171233978.db2.gz ZZWKTVSQGDVGSB-CYBMUJFWSA-N 0 3 249.358 2.328 20 10 BECDHN CC[C@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020085792 171343279 /nfs/dbraw/zinc/34/32/79/171343279.db2.gz VYGWVEPKLKEOFF-VIFPVBQESA-N 0 3 209.289 2.289 20 10 BECDHN CC[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccc1[O-] ZINC000156412731 171538777 /nfs/dbraw/zinc/53/87/77/171538777.db2.gz GYXCWGGBYWJDHZ-SCRDCRAPSA-N 0 3 247.338 2.370 20 10 BECDHN CN(C)c1ccc(CNCC2=CCCOC2)cc1 ZINC000126273602 172552068 /nfs/dbraw/zinc/55/20/68/172552068.db2.gz VFBFYOMFWFOWOT-UHFFFAOYSA-N 0 3 246.354 2.189 20 10 BECDHN COC1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000168389590 174022879 /nfs/dbraw/zinc/02/28/79/174022879.db2.gz GPXWRKUQPXUSEL-UHFFFAOYSA-N 0 3 235.327 2.439 20 10 BECDHN COC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000132603705 174030035 /nfs/dbraw/zinc/03/00/35/174030035.db2.gz ZELMPAMPGVRSFQ-UHFFFAOYSA-N 0 3 221.300 2.003 20 10 BECDHN COCC(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000292821590 174073424 /nfs/dbraw/zinc/07/34/24/174073424.db2.gz QAMPNORJWJLUDW-UHFFFAOYSA-N 0 3 241.306 2.294 20 10 BECDHN COCC1([NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000285198932 174109259 /nfs/dbraw/zinc/10/92/59/174109259.db2.gz QUPJWQCQCDIOAY-UHFFFAOYSA-N 0 3 239.290 2.190 20 10 BECDHN COCCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000020142527 174249956 /nfs/dbraw/zinc/24/99/56/174249956.db2.gz MEVKTMUUAXRHEE-SNVBAGLBSA-N 0 3 239.315 2.088 20 10 BECDHN COCC[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000078638595 174384765 /nfs/dbraw/zinc/38/47/65/174384765.db2.gz HQYGFJTVCVDFIV-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN COCC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000081709150 174385508 /nfs/dbraw/zinc/38/55/08/174385508.db2.gz SIGQKMDUYLHTPP-MNOVXSKESA-N 0 3 223.316 2.468 20 10 BECDHN COc1ccc(C[NH2+]Cc2ccncc2)c([O-])c1 ZINC000040905958 175108026 /nfs/dbraw/zinc/10/80/26/175108026.db2.gz KUYCFDGKOCBZTE-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN COc1ccc(CN[C@@H]2CCCOC2)cc1C ZINC000075173041 175110610 /nfs/dbraw/zinc/11/06/10/175110610.db2.gz FUTHWJMZTFEIEE-CYBMUJFWSA-N 0 3 235.327 2.272 20 10 BECDHN COc1ccc(CN[C@H]2CCCOC2)cc1C ZINC000075173042 175112075 /nfs/dbraw/zinc/11/20/75/175112075.db2.gz FUTHWJMZTFEIEE-ZDUSSCGKSA-N 0 3 235.327 2.272 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CSC)c1 ZINC000162657598 175159214 /nfs/dbraw/zinc/15/92/14/175159214.db2.gz IRRCDKJGLXYPGK-VIFPVBQESA-N 0 3 241.356 2.242 20 10 BECDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2CC2)c1 ZINC000019884909 175160585 /nfs/dbraw/zinc/16/05/85/175160585.db2.gz WQABYHMHLBQASX-VIFPVBQESA-N 0 3 221.300 2.461 20 10 BECDHN COc1cccc(C[N@H+](C)C2CCC2)c1[O-] ZINC000093475868 175253503 /nfs/dbraw/zinc/25/35/03/175253503.db2.gz WBABJXDVKQZWKV-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc(C[N@@H+](C)C2CCC2)c1[O-] ZINC000093475868 175253504 /nfs/dbraw/zinc/25/35/04/175253504.db2.gz WBABJXDVKQZWKV-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc(C[N@H+](C)CC(C)C)c1[O-] ZINC000132529005 175253786 /nfs/dbraw/zinc/25/37/86/175253786.db2.gz NWAXDGMNNLELEO-UHFFFAOYSA-N 0 3 223.316 2.489 20 10 BECDHN COc1cccc(C[N@@H+](C)CC(C)C)c1[O-] ZINC000132529005 175253788 /nfs/dbraw/zinc/25/37/88/175253788.db2.gz NWAXDGMNNLELEO-UHFFFAOYSA-N 0 3 223.316 2.489 20 10 BECDHN COc1cccc(C[N@@H+]2CC[C@@H](C)C2)c1[O-] ZINC000132668128 175259838 /nfs/dbraw/zinc/25/98/38/175259838.db2.gz ORBCCTSDSUJLLU-SNVBAGLBSA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc(C[N@H+]2CC[C@@H](C)C2)c1[O-] ZINC000132668128 175259840 /nfs/dbraw/zinc/25/98/40/175259840.db2.gz ORBCCTSDSUJLLU-SNVBAGLBSA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc(CNCc2ccncc2)c1O ZINC000020139882 175265800 /nfs/dbraw/zinc/26/58/00/175265800.db2.gz ACODJYXYVFHUCV-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN COc1cccc(C[NH2+]C[C@H]2C[C@@H]2C)c1[O-] ZINC000136401775 175266206 /nfs/dbraw/zinc/26/62/06/175266206.db2.gz ZPLDTFQPITUYDT-GXSJLCMTSA-N 0 3 221.300 2.146 20 10 BECDHN C[C@@H]([NH2+]CCCO)c1cc2c(cc1[O-])CCCC2 ZINC000184841248 175875861 /nfs/dbraw/zinc/87/58/61/175875861.db2.gz SKPUPPWLCHPODC-LLVKDONJSA-N 0 3 249.354 2.304 20 10 BECDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC000132722358 177265723 /nfs/dbraw/zinc/26/57/23/177265723.db2.gz NKEHTLWNOQWLEV-NSHDSACASA-N 0 3 221.300 2.003 20 10 BECDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC000132722358 177265726 /nfs/dbraw/zinc/26/57/26/177265726.db2.gz NKEHTLWNOQWLEV-NSHDSACASA-N 0 3 221.300 2.003 20 10 BECDHN C[C@H]1C[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584707 177345916 /nfs/dbraw/zinc/34/59/16/177345916.db2.gz ZIWBMXSUBXSYBN-DTWKUNHWSA-N 0 3 209.264 2.277 20 10 BECDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)(C)O ZINC000293613904 487773506 /nfs/dbraw/zinc/77/35/06/487773506.db2.gz KEFBMXWQJCZXCK-LBPRGKRZSA-N 0 3 241.306 2.170 20 10 BECDHN C[C@H](CCCO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296610392 490281277 /nfs/dbraw/zinc/28/12/77/490281277.db2.gz WGSBFEJQFOHXTD-DGCLKSJQSA-N 0 3 249.354 2.378 20 10 BECDHN CC[C@@H](C)[NH2+]Cc1ccc(OC)c(OC)c1[O-] ZINC000892429023 582885266 /nfs/dbraw/zinc/88/52/66/582885266.db2.gz APTSKAZTKNKBDT-SECBINFHSA-N 0 3 239.315 2.298 20 10 BECDHN CCn1nccc1CNCc1cc(C)ccc1O ZINC000853093551 588719490 /nfs/dbraw/zinc/71/94/90/588719490.db2.gz MSMRXEPEWZSAID-UHFFFAOYSA-N 0 3 245.326 2.207 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)CNC)c1ccc(F)cc1[O-] ZINC000854232808 588781667 /nfs/dbraw/zinc/78/16/67/588781667.db2.gz UUOAHQMGJLLVSJ-CABZTGNLSA-N 0 3 240.322 2.180 20 10 BECDHN CC[C@H](N[C@@H](C)C[NH2+]C)c1ccc(F)cc1[O-] ZINC000854232808 588781668 /nfs/dbraw/zinc/78/16/68/588781668.db2.gz UUOAHQMGJLLVSJ-CABZTGNLSA-N 0 3 240.322 2.180 20 10 BECDHN COc1cc(C)cc(C[NH2+]C(C)C)c1[O-] ZINC000894163272 583322072 /nfs/dbraw/zinc/32/20/72/583322072.db2.gz PPWDPBQGQXSPEC-UHFFFAOYSA-N 0 3 209.289 2.207 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2COC(C)(C)C2)c([O-])c1 ZINC000877621215 583339933 /nfs/dbraw/zinc/33/99/33/583339933.db2.gz SWVHCJKWQQVHBN-LBPRGKRZSA-N 0 3 235.327 2.358 20 10 BECDHN CC[C@@]1(O)CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000877691296 583342600 /nfs/dbraw/zinc/34/26/00/583342600.db2.gz MACGCPIZLRDXRJ-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@]1(O)CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000877691296 583342603 /nfs/dbraw/zinc/34/26/03/583342603.db2.gz MACGCPIZLRDXRJ-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000894481329 583471119 /nfs/dbraw/zinc/47/11/19/583471119.db2.gz WRLLSJMTPHVVPD-AAOUONPWSA-N 0 3 235.327 2.117 20 10 BECDHN CO[C@H]1C[C@H](C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000895539719 583687481 /nfs/dbraw/zinc/68/74/81/583687481.db2.gz BXVLJCHMBWANBY-AULYBMBSSA-N 0 3 235.327 2.215 20 10 BECDHN COCC1CN(Cc2ccc(N(C)C)cc2C)C1 ZINC000895969484 583754973 /nfs/dbraw/zinc/75/49/73/583754973.db2.gz CDAWVMZGYOUUCX-UHFFFAOYSA-N 0 3 248.370 2.139 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c([O-])c1 ZINC000896410096 583800430 /nfs/dbraw/zinc/80/04/30/583800430.db2.gz WQJBOERXVSVHFO-HIFRSBDPSA-N 0 3 247.338 2.358 20 10 BECDHN C/C=C/C[NH2+]Cc1c([O-])cccc1OC ZINC000858291391 588942352 /nfs/dbraw/zinc/94/23/52/588942352.db2.gz XPRKESUCJNHRRU-ONEGZZNKSA-N 0 3 207.273 2.067 20 10 BECDHN CC(C)[C@@H]([NH3+])CNCc1cccc(Cl)c1[O-] ZINC000841031034 584028904 /nfs/dbraw/zinc/02/89/04/584028904.db2.gz RFNIMYJBRASXKU-NSHDSACASA-N 0 3 242.750 2.119 20 10 BECDHN CCc1cccc(C[NH2+]C2CC(CCO)C2)c1[O-] ZINC000898010910 584071418 /nfs/dbraw/zinc/07/14/18/584071418.db2.gz PYVZJQXOGGCPIU-UHFFFAOYSA-N 0 3 249.354 2.205 20 10 BECDHN CC1(C)CCN(CC[NH2+]Cc2ccccc2[O-])C1 ZINC000898035309 584079495 /nfs/dbraw/zinc/07/94/95/584079495.db2.gz OSYLBMSOAFLDRC-UHFFFAOYSA-N 0 3 248.370 2.214 20 10 BECDHN CCc1cccc(C[NH2+]CC[C@H](O)C2CC2)c1[O-] ZINC000898198138 584097845 /nfs/dbraw/zinc/09/78/45/584097845.db2.gz BNEYBUFHVMBUDE-AWEZNQCLSA-N 0 3 249.354 2.205 20 10 BECDHN Cc1ccc([C@H](C)N[C@@H]2C[NH2+]CC2(C)C)c([O-])c1 ZINC000902450552 584606876 /nfs/dbraw/zinc/60/68/76/584606876.db2.gz TWKMSDFXYSGGTL-SMDDNHRTSA-N 0 3 248.370 2.349 20 10 BECDHN CC[C@H](N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[O-] ZINC000902451964 584607450 /nfs/dbraw/zinc/60/74/50/584607450.db2.gz ZIBKEBMLOFIIEN-JSGCOSHPSA-N 0 3 248.370 2.431 20 10 BECDHN C[C@@H]([NH2+]C1CC(CCO)C1)c1ccccc1[O-] ZINC000903331508 584754317 /nfs/dbraw/zinc/75/43/17/584754317.db2.gz XRYWREZXVFYLOU-VOMCLLRMSA-N 0 3 235.327 2.204 20 10 BECDHN C[C@@H]([NH2+]CC[C@@H](O)C1CC1)c1ccccc1[O-] ZINC000903409494 584759432 /nfs/dbraw/zinc/75/94/32/584759432.db2.gz XTMJCGWVEKHXEU-ZWNOBZJWSA-N 0 3 235.327 2.204 20 10 BECDHN COC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877111418 584890564 /nfs/dbraw/zinc/89/05/64/584890564.db2.gz HKOYKPRKWAAGAM-CYBMUJFWSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000877118648 584890766 /nfs/dbraw/zinc/89/07/66/584890766.db2.gz IUYSVTLCNUJPEV-DGCLKSJQSA-N 0 3 235.327 2.358 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCCC1(O)CCC1 ZINC000817414779 584985928 /nfs/dbraw/zinc/98/59/28/584985928.db2.gz OELYCCUNRLJAGA-UHFFFAOYSA-N 0 3 235.327 2.177 20 10 BECDHN CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1[O-] ZINC000817966005 584993511 /nfs/dbraw/zinc/99/35/11/584993511.db2.gz YTLRAGTYFVQYQW-STQMWFEESA-N 0 3 234.343 2.170 20 10 BECDHN CC(C)O[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000839147572 585092267 /nfs/dbraw/zinc/09/22/67/585092267.db2.gz NMLGMBGIJQBENX-BETUJISGSA-N 0 3 235.327 2.438 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)C(C)(C)O)cc1C ZINC000742369376 585125201 /nfs/dbraw/zinc/12/52/01/585125201.db2.gz CBHBHGBNXZRMFT-NSHDSACASA-N 0 3 237.343 2.258 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]Cc2cccn2C)c1 ZINC000743497767 585137467 /nfs/dbraw/zinc/13/74/67/585137467.db2.gz JMAQZKHUXHJZAF-UHFFFAOYSA-N 0 3 230.311 2.329 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2)c([O-])c1C ZINC000756536917 585320691 /nfs/dbraw/zinc/32/06/91/585320691.db2.gz XFNCULUGMBEVPW-STQMWFEESA-N 0 3 248.370 2.364 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC2(CO)CC2)c([O-])c1C ZINC000756638162 585322000 /nfs/dbraw/zinc/32/20/00/585322000.db2.gz SJPUSVGGUOTBFE-GFCCVEGCSA-N 0 3 249.354 2.432 20 10 BECDHN C[C@@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756657257 585322139 /nfs/dbraw/zinc/32/21/39/585322139.db2.gz BWEMGJSXVXUYCO-WEDXCCLWSA-N 0 3 239.290 2.050 20 10 BECDHN C[C@@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756657255 585322193 /nfs/dbraw/zinc/32/21/93/585322193.db2.gz BWEMGJSXVXUYCO-NRPADANISA-N 0 3 239.290 2.050 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)CC2(O)CCC2)cc1C ZINC000761220787 585412442 /nfs/dbraw/zinc/41/24/42/585412442.db2.gz YADQDXMZUMGRDY-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)CC2(O)CCC2)cc1C ZINC000761220787 585412443 /nfs/dbraw/zinc/41/24/43/585412443.db2.gz YADQDXMZUMGRDY-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN C[C@H]1COCCCN1Cc1ccc(N(C)C)cc1 ZINC000769457717 585557720 /nfs/dbraw/zinc/55/77/20/585557720.db2.gz OZAQGOLMPTZTNC-ZDUSSCGKSA-N 0 3 248.370 2.363 20 10 BECDHN CN(C)c1ccc(CN(C)[C@@H]2CCCOC2)cc1 ZINC000771529734 585595825 /nfs/dbraw/zinc/59/58/25/585595825.db2.gz YKYHYRBWFQXIOI-OAHLLOKOSA-N 0 3 248.370 2.363 20 10 BECDHN C[C@@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccccc1[O-] ZINC000775130773 585672594 /nfs/dbraw/zinc/67/25/94/585672594.db2.gz OGFBJROGSGCRHT-CHWSQXEVSA-N 0 3 248.370 2.385 20 10 BECDHN CCN1C[C@H](C)[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000779017779 585743723 /nfs/dbraw/zinc/74/37/23/585743723.db2.gz BPIOVKMFFPRZPP-OLZOCXBDSA-N 0 3 248.370 2.307 20 10 BECDHN CCN1C[C@H](C)[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000779017779 585743724 /nfs/dbraw/zinc/74/37/24/585743724.db2.gz BPIOVKMFFPRZPP-OLZOCXBDSA-N 0 3 248.370 2.307 20 10 BECDHN Cc1cccc(C[N@H+]2CC=CCC2)c1[O-] ZINC000779159679 585746173 /nfs/dbraw/zinc/74/61/73/585746173.db2.gz QLUAJBLOHMLDHG-UHFFFAOYSA-N 0 3 203.285 2.463 20 10 BECDHN Cc1cccc(C[N@@H+]2CC=CCC2)c1[O-] ZINC000779159679 585746174 /nfs/dbraw/zinc/74/61/74/585746174.db2.gz QLUAJBLOHMLDHG-UHFFFAOYSA-N 0 3 203.285 2.463 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2CCO)cc1C ZINC000779202626 585747316 /nfs/dbraw/zinc/74/73/16/585747316.db2.gz QSPQVSKHMGSATJ-AWEZNQCLSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2CCO)cc1C ZINC000779202626 585747317 /nfs/dbraw/zinc/74/73/17/585747317.db2.gz QSPQVSKHMGSATJ-AWEZNQCLSA-N 0 3 249.354 2.356 20 10 BECDHN C[C@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccccc1[O-] ZINC000783502940 585835940 /nfs/dbraw/zinc/83/59/40/585835940.db2.gz BWLUHIMXXXHFFW-SMDDNHRTSA-N 0 3 248.370 2.383 20 10 BECDHN CCN(Cc1ccc(N(C)C)cc1)[C@H]1CCOC1 ZINC000794550143 586043770 /nfs/dbraw/zinc/04/37/70/586043770.db2.gz KODRSMSYEGGOLU-HNNXBMFYSA-N 0 3 248.370 2.363 20 10 BECDHN C[C@@H]1COCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000796496454 586105167 /nfs/dbraw/zinc/10/51/67/586105167.db2.gz AKVGTNQZDNATDA-VXGBXAGGSA-N 0 3 235.327 2.154 20 10 BECDHN COC[C@@H]1CCN1Cc1cc2c(cc1O)CCC2 ZINC000840082861 586423288 /nfs/dbraw/zinc/42/32/88/586423288.db2.gz KPCLNQHUTUQWGT-AWEZNQCLSA-N 0 3 247.338 2.102 20 10 BECDHN COC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000840082861 586423289 /nfs/dbraw/zinc/42/32/89/586423289.db2.gz KPCLNQHUTUQWGT-AWEZNQCLSA-N 0 3 247.338 2.102 20 10 BECDHN COC[C@@H]1CC[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000840082861 586423290 /nfs/dbraw/zinc/42/32/90/586423290.db2.gz KPCLNQHUTUQWGT-AWEZNQCLSA-N 0 3 247.338 2.102 20 10 BECDHN CC(C)(CO)[C@@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000811518066 586560476 /nfs/dbraw/zinc/56/04/76/586560476.db2.gz FSZWVVQCUMJSCV-AWEZNQCLSA-N 0 3 249.354 2.279 20 10 BECDHN CCc1nocc1CNCc1ccccc1O ZINC000815123081 586668071 /nfs/dbraw/zinc/66/80/71/586668071.db2.gz VWUDGXHZRCIARL-UHFFFAOYSA-N 0 3 232.283 2.232 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCOC2)c([O-])c1 ZINC000815597837 586688819 /nfs/dbraw/zinc/68/88/19/586688819.db2.gz HIDXXVKALOVINL-RYUDHWBXSA-N 0 3 235.327 2.449 20 10 BECDHN CC[N@H+](Cc1cc(C)c(C)cc1[O-])[C@@H](C)CO ZINC000816653844 586753001 /nfs/dbraw/zinc/75/30/01/586753001.db2.gz KOADDICHNSSYTN-LBPRGKRZSA-N 0 3 237.343 2.212 20 10 BECDHN CC[N@@H+](Cc1cc(C)c(C)cc1[O-])[C@@H](C)CO ZINC000816653844 586753002 /nfs/dbraw/zinc/75/30/02/586753002.db2.gz KOADDICHNSSYTN-LBPRGKRZSA-N 0 3 237.343 2.212 20 10 BECDHN C[NH2+]CCN[C@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000817952820 586846389 /nfs/dbraw/zinc/84/63/89/586846389.db2.gz UMNDAKLNLBALRH-SECBINFHSA-N 0 3 242.750 2.224 20 10 BECDHN C[C@@H]([NH2+]CC(C)(C)N)c1cc(Cl)ccc1[O-] ZINC000817959664 586851754 /nfs/dbraw/zinc/85/17/54/586851754.db2.gz FUKAWTVVRALAPD-MRVPVSSYSA-N 0 3 242.750 2.434 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](C)CN)c1cc(Cl)ccc1[O-] ZINC000817961637 586853328 /nfs/dbraw/zinc/85/33/28/586853328.db2.gz BKVSRVGQBZVQES-DTWKUNHWSA-N 0 3 242.750 2.291 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)N)c1[O-] ZINC000817973581 586860664 /nfs/dbraw/zinc/86/06/64/586860664.db2.gz VIWKZRKYGRJLAF-IUCAKERBSA-N 0 3 242.750 2.352 20 10 BECDHN CO[C@H]1CC[C@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC000821392202 587115859 /nfs/dbraw/zinc/11/58/59/587115859.db2.gz VSNVAZMJIAPUQZ-STQMWFEESA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC000821392202 587115861 /nfs/dbraw/zinc/11/58/61/587115861.db2.gz VSNVAZMJIAPUQZ-STQMWFEESA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H]1CC[C@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC000821392201 587116022 /nfs/dbraw/zinc/11/60/22/587116022.db2.gz VSNVAZMJIAPUQZ-QWHCGFSZSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H]1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC000821392201 587116023 /nfs/dbraw/zinc/11/60/23/587116023.db2.gz VSNVAZMJIAPUQZ-QWHCGFSZSA-N 0 3 235.327 2.392 20 10 BECDHN CCOc1cccc(CN2CC3(CC3)C2)c1O ZINC000824534052 587273916 /nfs/dbraw/zinc/27/39/16/587273916.db2.gz YWQAWOKXMGMTAG-UHFFFAOYSA-N 0 3 233.311 2.387 20 10 BECDHN COc1cccc(C[N@@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000824649699 587280990 /nfs/dbraw/zinc/28/09/90/587280990.db2.gz FKHXKIYEYQSIOA-GFCCVEGCSA-N 0 3 233.311 2.385 20 10 BECDHN COc1cccc(C[N@H+]2CC[C@@H]2C2CC2)c1[O-] ZINC000824649699 587280991 /nfs/dbraw/zinc/28/09/91/587280991.db2.gz FKHXKIYEYQSIOA-GFCCVEGCSA-N 0 3 233.311 2.385 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]2C2CC2)c1 ZINC000824649089 587281107 /nfs/dbraw/zinc/28/11/07/587281107.db2.gz BCLQZKODKHJKFZ-ZDUSSCGKSA-N 0 3 233.311 2.385 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]2C2CC2)c1 ZINC000824649089 587281108 /nfs/dbraw/zinc/28/11/08/587281108.db2.gz BCLQZKODKHJKFZ-ZDUSSCGKSA-N 0 3 233.311 2.385 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1[O-] ZINC000827282434 587375272 /nfs/dbraw/zinc/37/52/72/587375272.db2.gz MJHFVTPGBCOGSZ-HIFRSBDPSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c1[O-] ZINC000827282434 587375273 /nfs/dbraw/zinc/37/52/73/587375273.db2.gz MJHFVTPGBCOGSZ-HIFRSBDPSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000827285247 587375306 /nfs/dbraw/zinc/37/53/06/587375306.db2.gz YZAQCAOSWVFUNR-HIFRSBDPSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c1 ZINC000827285247 587375307 /nfs/dbraw/zinc/37/53/07/587375307.db2.gz YZAQCAOSWVFUNR-HIFRSBDPSA-N 0 3 247.338 2.169 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506789 587384802 /nfs/dbraw/zinc/38/48/02/587384802.db2.gz MFPGQEDMSDVEPM-JQWIXIFHSA-N 0 3 203.285 2.234 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506789 587384804 /nfs/dbraw/zinc/38/48/04/587384804.db2.gz MFPGQEDMSDVEPM-JQWIXIFHSA-N 0 3 203.285 2.234 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506316 587384883 /nfs/dbraw/zinc/38/48/83/587384883.db2.gz GKXLBCBOBFZCQZ-UWVGGRQHSA-N 0 3 221.275 2.373 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827506316 587384884 /nfs/dbraw/zinc/38/48/84/587384884.db2.gz GKXLBCBOBFZCQZ-UWVGGRQHSA-N 0 3 221.275 2.373 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1[O-] ZINC000827700827 587397430 /nfs/dbraw/zinc/39/74/30/587397430.db2.gz XVHNHIJEPBEHMI-IUODEOHRSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1[O-] ZINC000827700827 587397431 /nfs/dbraw/zinc/39/74/31/587397431.db2.gz XVHNHIJEPBEHMI-IUODEOHRSA-N 0 3 249.354 2.151 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CCO)C1CC1)CC2 ZINC000834669392 587763566 /nfs/dbraw/zinc/76/35/66/587763566.db2.gz XLXVZEFNGIMUPR-CHWSQXEVSA-N 0 3 247.338 2.130 20 10 BECDHN COCC1([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000834729802 587764833 /nfs/dbraw/zinc/76/48/33/587764833.db2.gz KZPVZHBXXDXVPY-LLVKDONJSA-N 0 3 233.311 2.148 20 10 BECDHN CN(C)c1ccc(/C=C\CN(C)CCCO)cc1 ZINC000835052133 587779746 /nfs/dbraw/zinc/77/97/46/587779746.db2.gz OFLWQZURWYOMBX-XQRVVYSFSA-N 0 3 248.370 2.080 20 10 BECDHN CCC1CN(Cc2cccc(OC)c2O)C1 ZINC000835074229 587780251 /nfs/dbraw/zinc/78/02/51/587780251.db2.gz IRLDSOIRBHFGIO-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN CCC1C[NH+](Cc2cccc(OC)c2[O-])C1 ZINC000835074229 587780252 /nfs/dbraw/zinc/78/02/52/587780252.db2.gz IRLDSOIRBHFGIO-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)C(C)C ZINC000840968096 587932543 /nfs/dbraw/zinc/93/25/43/587932543.db2.gz VIWAILWOVGZRLT-JSGCOSHPSA-N 0 3 237.343 2.277 20 10 BECDHN CCCC[C@H](CN)[NH2+]Cc1cccc(C)c1[O-] ZINC000841029800 587936276 /nfs/dbraw/zinc/93/62/76/587936276.db2.gz SILBHAYGWVNDHG-CYBMUJFWSA-N 0 3 236.359 2.308 20 10 BECDHN C[C@H](CCN)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841049653 587940065 /nfs/dbraw/zinc/94/00/65/587940065.db2.gz GJQCZRZBJSZWHJ-SSDOTTSWSA-N 0 3 246.713 2.012 20 10 BECDHN C[C@@H]([NH3+])[C@@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000841076592 587944035 /nfs/dbraw/zinc/94/40/35/587944035.db2.gz JORFGIJWBWDGDR-RNFRBKRXSA-N 0 3 246.713 2.010 20 10 BECDHN CC[C@H](N)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841073566 587944182 /nfs/dbraw/zinc/94/41/82/587944182.db2.gz ZRLAJJXMAXICKQ-VIFPVBQESA-N 0 3 246.713 2.012 20 10 BECDHN CC[C@H]([NH3+])CNCc1cc(Cl)cc(F)c1[O-] ZINC000841073566 587944184 /nfs/dbraw/zinc/94/41/84/587944184.db2.gz ZRLAJJXMAXICKQ-VIFPVBQESA-N 0 3 246.713 2.012 20 10 BECDHN CC[C@@H](N)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841073565 587944246 /nfs/dbraw/zinc/94/42/46/587944246.db2.gz ZRLAJJXMAXICKQ-SECBINFHSA-N 0 3 246.713 2.012 20 10 BECDHN CC[C@@H]([NH3+])CNCc1cc(Cl)cc(F)c1[O-] ZINC000841073565 587944248 /nfs/dbraw/zinc/94/42/48/587944248.db2.gz ZRLAJJXMAXICKQ-SECBINFHSA-N 0 3 246.713 2.012 20 10 BECDHN CC[C@H](C[N@H+](C)Cc1ccccc1[O-])OC ZINC000842153854 588003802 /nfs/dbraw/zinc/00/38/02/588003802.db2.gz RNFXWUDMSGHFFI-GFCCVEGCSA-N 0 3 223.316 2.249 20 10 BECDHN CC[C@H](C[N@@H+](C)Cc1ccccc1[O-])OC ZINC000842153854 588003804 /nfs/dbraw/zinc/00/38/04/588003804.db2.gz RNFXWUDMSGHFFI-GFCCVEGCSA-N 0 3 223.316 2.249 20 10 BECDHN CCCC[C@@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000842746604 588058705 /nfs/dbraw/zinc/05/87/05/588058705.db2.gz MOIGJROOMJTLCD-AWEZNQCLSA-N 0 3 237.343 2.423 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2CO[C@@H](C)C2)cc1C ZINC000842774426 588062505 /nfs/dbraw/zinc/06/25/05/588062505.db2.gz HLJIGZHPSCRCGI-WCQYABFASA-N 0 3 235.327 2.276 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)CCO)cc1C ZINC000846111888 588257395 /nfs/dbraw/zinc/25/73/95/588257395.db2.gz RUWOKMQGQSPNHA-LBPRGKRZSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)CCO)cc1C ZINC000846111888 588257396 /nfs/dbraw/zinc/25/73/96/588257396.db2.gz RUWOKMQGQSPNHA-LBPRGKRZSA-N 0 3 237.343 2.212 20 10 BECDHN COc1cccc([C@H](C)[NH2+]C[C@H](C)OC)c1[O-] ZINC000846164113 588258954 /nfs/dbraw/zinc/25/89/54/588258954.db2.gz MSZNLWHESNKRGU-UWVGGRQHSA-N 0 3 239.315 2.086 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H](CO)C2CCC2)cc1C ZINC000850350096 588537948 /nfs/dbraw/zinc/53/79/48/588537948.db2.gz OGMOLYZQMZJBLT-CQSZACIVSA-N 0 3 249.354 2.260 20 10 BECDHN COCC1([NH2+]Cc2ccccc2[O-])CCCC1 ZINC000850345227 588538255 /nfs/dbraw/zinc/53/82/55/588538255.db2.gz OYCGMTDCXZCGIQ-UHFFFAOYSA-N 0 3 235.327 2.441 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850391824 588542959 /nfs/dbraw/zinc/54/29/59/588542959.db2.gz BABYTRSBJUMUNY-PTEHBNRSSA-N 0 3 203.285 2.280 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1 ZINC000850389052 588543077 /nfs/dbraw/zinc/54/30/77/588543077.db2.gz SLJPMYMLKRDUSK-KGLIPLIRSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H](CO)CC2CC2)c1 ZINC000850389210 588543120 /nfs/dbraw/zinc/54/31/20/588543120.db2.gz UBMHWVKJQQNUKF-CYBMUJFWSA-N 0 3 249.354 2.199 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000850393164 588543683 /nfs/dbraw/zinc/54/36/83/588543683.db2.gz PPZZACBIMHHVTF-MSRIBSCDSA-N 0 3 233.311 2.289 20 10 BECDHN CCN(CC)c1ccc(CN[C@H]2C[C@H](O)C2)cc1 ZINC000850417907 588545169 /nfs/dbraw/zinc/54/51/69/588545169.db2.gz QMQQQUOQGPLKPW-CTYIDZIISA-N 0 3 248.370 2.146 20 10 BECDHN C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)c1ccccc1[O-] ZINC000850546072 588559363 /nfs/dbraw/zinc/55/93/63/588559363.db2.gz JUYGTWNDJKCTLG-ZLKJLUDKSA-N 0 3 247.338 2.346 20 10 BECDHN CC[C@@H](C)[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000862388207 589207196 /nfs/dbraw/zinc/20/71/96/589207196.db2.gz XXYQAOVUTXWLAL-SNVBAGLBSA-N 0 3 241.306 2.124 20 10 BECDHN CC[C@@H](C)[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000862388207 589207197 /nfs/dbraw/zinc/20/71/97/589207197.db2.gz XXYQAOVUTXWLAL-SNVBAGLBSA-N 0 3 241.306 2.124 20 10 BECDHN CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C)cc1[O-] ZINC000863547702 589298521 /nfs/dbraw/zinc/29/85/21/589298521.db2.gz VVMUINUCGFNXAV-FPMFFAJLSA-N 0 3 248.370 2.492 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c([O-])c1 ZINC000866416324 589491670 /nfs/dbraw/zinc/49/16/70/589491670.db2.gz SBHXIYBMSYBSIJ-UPJWGTAASA-N 0 3 249.354 2.431 20 10 BECDHN CCCOc1ccc(CN[C@H]2C[C@@H](O)C2)cc1C ZINC000873129929 589985503 /nfs/dbraw/zinc/98/55/03/589985503.db2.gz VDZBGWLYNRRULZ-OKILXGFUSA-N 0 3 249.354 2.397 20 10 BECDHN COC[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020087565 590072130 /nfs/dbraw/zinc/07/21/30/590072130.db2.gz QWPWURZKIMWJEA-QWRGUYRKSA-N 0 3 223.316 2.386 20 10 BECDHN Cn1cccc1C[NH2+]Cc1ccccc1[O-] ZINC000125243642 590159194 /nfs/dbraw/zinc/15/91/94/590159194.db2.gz NQPVMCBAXOHWPB-UHFFFAOYSA-N 0 3 216.284 2.021 20 10 BECDHN Cc1ccc(CNCc2ccccc2O)nc1 ZINC000125760681 590188550 /nfs/dbraw/zinc/18/85/50/590188550.db2.gz ZTKUEYKMBWIKKW-UHFFFAOYSA-N 0 3 228.295 2.385 20 10 BECDHN Cc1ccc(CN2C[C@@H](C)OC[C@H]2C)c(O)c1 ZINC000876598051 590220452 /nfs/dbraw/zinc/22/04/52/590220452.db2.gz TXCARNIGCULFQG-VXGBXAGGSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1ccc(CN2C[C@H](C)OC[C@H]2C)c(O)c1 ZINC000876598045 590220582 /nfs/dbraw/zinc/22/05/82/590220582.db2.gz TXCARNIGCULFQG-NEPJUHHUSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](CCCO)C1CC1 ZINC000876730986 590234014 /nfs/dbraw/zinc/23/40/14/590234014.db2.gz CQBWPEKIINWKRH-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](CCCO)C1CC1 ZINC000876730986 590234016 /nfs/dbraw/zinc/23/40/16/590234016.db2.gz CQBWPEKIINWKRH-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](CCCCO)C1CC1 ZINC000876732516 590234495 /nfs/dbraw/zinc/23/44/95/590234495.db2.gz XZEXPOOXPCOAAM-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](CCCCO)C1CC1 ZINC000876732516 590234497 /nfs/dbraw/zinc/23/44/97/590234497.db2.gz XZEXPOOXPCOAAM-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000876749440 590236835 /nfs/dbraw/zinc/23/68/35/590236835.db2.gz KCHIMTPVCBKKPU-STQMWFEESA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000876749440 590236836 /nfs/dbraw/zinc/23/68/36/590236836.db2.gz KCHIMTPVCBKKPU-STQMWFEESA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@@H+](C)CC2(O)CCCC2)c([O-])c1 ZINC000876747834 590237010 /nfs/dbraw/zinc/23/70/10/590237010.db2.gz NXTYDIXXUWBMGW-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+](C)CC2(O)CCCC2)c([O-])c1 ZINC000876747834 590237012 /nfs/dbraw/zinc/23/70/12/590237012.db2.gz NXTYDIXXUWBMGW-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000876749434 590237285 /nfs/dbraw/zinc/23/72/85/590237285.db2.gz KCHIMTPVCBKKPU-CHWSQXEVSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000876749434 590237286 /nfs/dbraw/zinc/23/72/86/590237286.db2.gz KCHIMTPVCBKKPU-CHWSQXEVSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(O)c1CN1CCOC2(CCC2)C1 ZINC000876764387 590239786 /nfs/dbraw/zinc/23/97/86/590239786.db2.gz MOYJHPCNNGXGIE-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000876802920 590243665 /nfs/dbraw/zinc/24/36/65/590243665.db2.gz BMSYNVIUQWYUAD-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000876802920 590243666 /nfs/dbraw/zinc/24/36/66/590243666.db2.gz BMSYNVIUQWYUAD-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c([O-])c1 ZINC000877020238 590269631 /nfs/dbraw/zinc/26/96/31/590269631.db2.gz MNEGFNGHNLIROG-CYBMUJFWSA-N 0 3 246.354 2.027 20 10 BECDHN CCC[C@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877028152 590271467 /nfs/dbraw/zinc/27/14/67/590271467.db2.gz ZGKLKBIYVIVQEV-AWEZNQCLSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@H](COC)[NH2+]Cc1c(C)cccc1[O-] ZINC000877056315 590275913 /nfs/dbraw/zinc/27/59/13/590275913.db2.gz JPJLBSSSVDZREL-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]Cc1ccn(C)c1 ZINC000877080265 590280009 /nfs/dbraw/zinc/28/00/09/590280009.db2.gz PCJFZBYYMXAPRD-UHFFFAOYSA-N 0 3 230.311 2.329 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1(CCO)CCC1 ZINC000877091107 590280866 /nfs/dbraw/zinc/28/08/66/590280866.db2.gz CNTYNDDNBSGGPW-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCCCCCO ZINC000877138087 590291139 /nfs/dbraw/zinc/29/11/39/590291139.db2.gz NZQGESFISNQODC-UHFFFAOYSA-N 0 3 237.343 2.343 20 10 BECDHN Cc1ccc(C[NH2+]C2(CO)CCCC2)c([O-])c1 ZINC000877158911 590293901 /nfs/dbraw/zinc/29/39/01/590293901.db2.gz OLUBUEFIMQQZOX-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC=CCC1 ZINC000877168217 590295539 /nfs/dbraw/zinc/29/55/39/590295539.db2.gz PROGXNNVCNWCKH-UHFFFAOYSA-N 0 3 203.285 2.463 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC=CCC1 ZINC000877168217 590295541 /nfs/dbraw/zinc/29/55/41/590295541.db2.gz PROGXNNVCNWCKH-UHFFFAOYSA-N 0 3 203.285 2.463 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCOCC2(CC2)C1 ZINC000877194917 590299692 /nfs/dbraw/zinc/29/96/92/590299692.db2.gz XRELGGGHQDHMIQ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCOCC2(CC2)C1 ZINC000877194917 590299693 /nfs/dbraw/zinc/29/96/93/590299693.db2.gz XRELGGGHQDHMIQ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN C/C=C\C[C@@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877406417 590323736 /nfs/dbraw/zinc/32/37/36/590323736.db2.gz XBQUDLJJHARTGT-SCOBNMCVSA-N 0 3 235.327 2.117 20 10 BECDHN C/C=C\C[C@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877406414 590323865 /nfs/dbraw/zinc/32/38/65/590323865.db2.gz XBQUDLJJHARTGT-DHCBQETCSA-N 0 3 235.327 2.117 20 10 BECDHN CO[C@H](C)C[N@H+](C)Cc1c(C)cccc1[O-] ZINC000877522485 590345013 /nfs/dbraw/zinc/34/50/13/590345013.db2.gz FYYGPTIOBJMLPV-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN CO[C@H](C)C[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000877522485 590345016 /nfs/dbraw/zinc/34/50/16/590345016.db2.gz FYYGPTIOBJMLPV-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCCOC1 ZINC000877515777 590345471 /nfs/dbraw/zinc/34/54/71/590345471.db2.gz OXKLHKDKPWUWLN-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H]1CCCOC1 ZINC000877515777 590345476 /nfs/dbraw/zinc/34/54/76/590345476.db2.gz OXKLHKDKPWUWLN-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC000877516293 590346221 /nfs/dbraw/zinc/34/62/21/590346221.db2.gz YVVNQVZLEGMMSQ-BETUJISGSA-N 0 3 235.327 2.310 20 10 BECDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(C)cc2[O-])C1 ZINC000877516293 590346224 /nfs/dbraw/zinc/34/62/24/590346224.db2.gz YVVNQVZLEGMMSQ-BETUJISGSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1ccc(C[NH2+][C@@](C)(CO)C(C)C)c([O-])c1 ZINC000877539293 590350577 /nfs/dbraw/zinc/35/05/77/590350577.db2.gz NAKTVFVIYOGGGE-AWEZNQCLSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c([O-])c1 ZINC000877553289 590355788 /nfs/dbraw/zinc/35/57/88/590355788.db2.gz MUJFARXLEFSBPU-WFASDCNBSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000877555712 590356312 /nfs/dbraw/zinc/35/63/12/590356312.db2.gz ZJFWODNISWZVCA-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CO)CC1 ZINC000877555712 590356314 /nfs/dbraw/zinc/35/63/14/590356314.db2.gz ZJFWODNISWZVCA-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC[C@H](C)CCO ZINC000877556404 590357460 /nfs/dbraw/zinc/35/74/60/590357460.db2.gz FTOSTJIWNUCMIN-NSHDSACASA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCC(C)(C)CO ZINC000877560580 590358717 /nfs/dbraw/zinc/35/87/17/590358717.db2.gz VJZWPEFBZIDFSP-UHFFFAOYSA-N 0 3 237.343 2.199 20 10 BECDHN CCC1(C[NH2+]Cc2c(C)cccc2[O-])COC1 ZINC000877573710 590363215 /nfs/dbraw/zinc/36/32/15/590363215.db2.gz UTHTXNRZQJINLJ-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000877592313 590368821 /nfs/dbraw/zinc/36/88/21/590368821.db2.gz NMWGFLMDPJEESP-OLZOCXBDSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCC[C@H](CO)C2)c([O-])c1 ZINC000877593250 590369165 /nfs/dbraw/zinc/36/91/65/590369165.db2.gz QVXDAGJOGRIRDG-JSGCOSHPSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c([O-])c1 ZINC000877594866 590370372 /nfs/dbraw/zinc/37/03/72/590370372.db2.gz LGXCDSDYFDKNNN-STQMWFEESA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c([O-])c1 ZINC000877594866 590370375 /nfs/dbraw/zinc/37/03/75/590370375.db2.gz LGXCDSDYFDKNNN-STQMWFEESA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000877595159 590370471 /nfs/dbraw/zinc/37/04/71/590370471.db2.gz UAKHETPPBSMPIP-YPMHNXCESA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000877595159 590370474 /nfs/dbraw/zinc/37/04/74/590370474.db2.gz UAKHETPPBSMPIP-YPMHNXCESA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(CN(C)Cc2cnc[nH]2)c(O)c1 ZINC000877620238 590375865 /nfs/dbraw/zinc/37/58/65/590375865.db2.gz QWWOMTDTISPIKN-UHFFFAOYSA-N 0 3 231.299 2.056 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c([O-])c1 ZINC000877640706 590382279 /nfs/dbraw/zinc/38/22/79/590382279.db2.gz QVOFAJNOBQLUCT-WFASDCNBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c([O-])c1 ZINC000877640706 590382280 /nfs/dbraw/zinc/38/22/80/590382280.db2.gz QVOFAJNOBQLUCT-WFASDCNBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c([O-])c1 ZINC000877646506 590384537 /nfs/dbraw/zinc/38/45/37/590384537.db2.gz JFYSBXTVUDKAKH-OCCSQVGLSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c([O-])c1 ZINC000877646506 590384541 /nfs/dbraw/zinc/38/45/41/590384541.db2.gz JFYSBXTVUDKAKH-OCCSQVGLSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c([O-])c1 ZINC000877657547 590385638 /nfs/dbraw/zinc/38/56/38/590385638.db2.gz FJQIETJQEMHAOP-HIFRSBDPSA-N 0 3 247.338 2.358 20 10 BECDHN CC[C@]1(O)CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000877691999 590393058 /nfs/dbraw/zinc/39/30/58/590393058.db2.gz ZUNWCPZPZYKJGY-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@]1(O)CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000877691999 590393060 /nfs/dbraw/zinc/39/30/60/590393060.db2.gz ZUNWCPZPZYKJGY-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@]1(O)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000877691114 590393287 /nfs/dbraw/zinc/39/32/87/590393287.db2.gz IXFBTZGTKMQIGO-CQSZACIVSA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@@]1(O)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000877691114 590393288 /nfs/dbraw/zinc/39/32/88/590393288.db2.gz IXFBTZGTKMQIGO-CQSZACIVSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@H]1C[C@@H]1C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703070 590395452 /nfs/dbraw/zinc/39/54/52/590395452.db2.gz PZBDWVGPBQULBN-GXSJLCMTSA-N 0 3 203.285 2.364 20 10 BECDHN C[C@H]1C[C@@H]1C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703070 590395454 /nfs/dbraw/zinc/39/54/54/590395454.db2.gz PZBDWVGPBQULBN-GXSJLCMTSA-N 0 3 203.285 2.364 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@H]1CCC=CO1)C2 ZINC000877702577 590396020 /nfs/dbraw/zinc/39/60/20/590396020.db2.gz CCGMSNHKRVRIDF-GFCCVEGCSA-N 0 3 231.295 2.401 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1CCC=CO1)C2 ZINC000877702577 590396024 /nfs/dbraw/zinc/39/60/24/590396024.db2.gz CCGMSNHKRVRIDF-GFCCVEGCSA-N 0 3 231.295 2.401 20 10 BECDHN Oc1cccc2c1CN(C[C@H]1CCC=CO1)C2 ZINC000877702577 590396027 /nfs/dbraw/zinc/39/60/27/590396027.db2.gz CCGMSNHKRVRIDF-GFCCVEGCSA-N 0 3 231.295 2.401 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1CCC=CO1)C2 ZINC000877702578 590396528 /nfs/dbraw/zinc/39/65/28/590396528.db2.gz CCGMSNHKRVRIDF-LBPRGKRZSA-N 0 3 231.295 2.401 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1CCC=CO1)C2 ZINC000877702578 590396529 /nfs/dbraw/zinc/39/65/29/590396529.db2.gz CCGMSNHKRVRIDF-LBPRGKRZSA-N 0 3 231.295 2.401 20 10 BECDHN Oc1cccc2c1CN(C[C@@H]1CCC=CO1)C2 ZINC000877702578 590396533 /nfs/dbraw/zinc/39/65/33/590396533.db2.gz CCGMSNHKRVRIDF-LBPRGKRZSA-N 0 3 231.295 2.401 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877752270 590415576 /nfs/dbraw/zinc/41/55/76/590415576.db2.gz ODCZPUYGQZVJMS-GFCCVEGCSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000877752270 590415578 /nfs/dbraw/zinc/41/55/78/590415578.db2.gz ODCZPUYGQZVJMS-GFCCVEGCSA-N 0 3 249.354 2.293 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1[O-] ZINC000877755533 590416942 /nfs/dbraw/zinc/41/69/42/590416942.db2.gz DKSBWWKKRHBTNM-AXFHLTTASA-N 0 3 221.300 2.220 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCO[C@H]1C)c1ccccc1[O-] ZINC000877756593 590417792 /nfs/dbraw/zinc/41/77/92/590417792.db2.gz WLJRWYKTQJNOSY-SCVCMEIPSA-N 0 3 221.300 2.220 20 10 BECDHN CC(C)[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650261 590843377 /nfs/dbraw/zinc/84/33/77/590843377.db2.gz SKWRPKKTTFVKKB-AAEUAGOBSA-N 0 3 237.343 2.450 20 10 BECDHN CCN1CCC([N@H+](C)Cc2ccccc2[O-])CC1 ZINC000131566376 591623044 /nfs/dbraw/zinc/62/30/44/591623044.db2.gz LCCQNLHOMFGKHA-UHFFFAOYSA-N 0 3 248.370 2.308 20 10 BECDHN CCN1CCC([N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000131566376 591623047 /nfs/dbraw/zinc/62/30/47/591623047.db2.gz LCCQNLHOMFGKHA-UHFFFAOYSA-N 0 3 248.370 2.308 20 10 BECDHN CC[C@@H]1COCCN1Cc1ccccc1O ZINC000132633272 591726074 /nfs/dbraw/zinc/72/60/74/591726074.db2.gz FSWAUCNJTAHJTI-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN COC(C)(C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000133897687 591867670 /nfs/dbraw/zinc/86/76/70/591867670.db2.gz DEMJWVCNYLLRDG-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN C[C@@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000134957888 591962933 /nfs/dbraw/zinc/96/29/33/591962933.db2.gz XJQQACHLYWFCSF-ZJUUUORDSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]1C[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000134957888 591962935 /nfs/dbraw/zinc/96/29/35/591962935.db2.gz XJQQACHLYWFCSF-ZJUUUORDSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1C[C@@]12CCOC2)c1ccccc1[O-] ZINC000886310281 592205040 /nfs/dbraw/zinc/20/50/40/592205040.db2.gz IKPMUSSJLXFZMN-TYNCELHUSA-N 0 3 247.338 2.469 20 10 BECDHN CC[C@H]([NH2+]Cc1ccnn1C)c1ccccc1[O-] ZINC000071333050 592263505 /nfs/dbraw/zinc/26/35/05/592263505.db2.gz CUJRETFKMUEXCT-ZDUSSCGKSA-N 0 3 245.326 2.367 20 10 BECDHN C[C@]1([NH2+]Cc2ccccc2[O-])CCCOC1 ZINC000221356756 592416619 /nfs/dbraw/zinc/41/66/19/592416619.db2.gz VBBSFGPEIMDEJY-ZDUSSCGKSA-N 0 3 221.300 2.051 20 10 BECDHN CO[C@H](C)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000309496052 632416452 /nfs/dbraw/zinc/41/64/52/632416452.db2.gz YLBPQGDIDJNASS-OUAUKWLOSA-N 0 3 223.316 2.466 20 10 BECDHN CO[C@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000309496049 632417148 /nfs/dbraw/zinc/41/71/48/632417148.db2.gz YLBPQGDIDJNASS-GMTAPVOTSA-N 0 3 223.316 2.466 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(C)(C)O ZINC000309511045 632433944 /nfs/dbraw/zinc/43/39/44/632433944.db2.gz XHOVETKKLXUUAS-VHSXEESVSA-N 0 3 223.316 2.202 20 10 BECDHN C[C@H]1CC([NH2+]Cc2ccccc2[O-])C[C@H](C)O1 ZINC000162138860 632520027 /nfs/dbraw/zinc/52/00/27/632520027.db2.gz JMINENGYSVFNSC-QWRGUYRKSA-N 0 3 235.327 2.438 20 10 BECDHN C[C@@H]1CC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000309049789 632628689 /nfs/dbraw/zinc/62/86/89/632628689.db2.gz OXQIENBEAVZMPY-KCJUWKMLSA-N 0 3 209.264 2.419 20 10 BECDHN CC[C@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310494110 632748284 /nfs/dbraw/zinc/74/82/84/632748284.db2.gz PGXIJKRQUMMQLX-FZMZJTMJSA-N 0 3 235.327 2.130 20 10 BECDHN CC[C@@H](O)C[NH2+][C@H](CC)c1ccccc1[O-] ZINC000162330882 633028319 /nfs/dbraw/zinc/02/83/19/633028319.db2.gz DNKLXEYSBRWSJU-ZYHUDNBSSA-N 0 3 223.316 2.204 20 10 BECDHN CC(C)OC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000309412834 633034368 /nfs/dbraw/zinc/03/43/68/633034368.db2.gz YGSKSBNGEAUQIR-LLVKDONJSA-N 0 3 223.316 2.295 20 10 BECDHN C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000162939763 633043049 /nfs/dbraw/zinc/04/30/49/633043049.db2.gz ULVKZBYNQVIVNK-CMPLNLGQSA-N 0 3 221.300 2.049 20 10 BECDHN Cc1nn(C)cc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000168676341 633147207 /nfs/dbraw/zinc/14/72/07/633147207.db2.gz BVIZWRKHPIRJTJ-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN C[C@@H]([NH2+]C[C@](C)(O)C1CC1)c1ccccc1[O-] ZINC000310442072 636050792 /nfs/dbraw/zinc/05/07/92/636050792.db2.gz SQEZAFQTNPPXIO-YGRLFVJLSA-N 0 3 235.327 2.204 20 10 BECDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000309588189 633960086 /nfs/dbraw/zinc/96/00/86/633960086.db2.gz SUQNFVOCVMDPEO-RKDXNWHRSA-N 0 3 227.279 2.044 20 10 BECDHN CC[C@H]([NH2+][C@H](CO)C(C)C)c1ccccc1[O-] ZINC000092393805 634114601 /nfs/dbraw/zinc/11/46/01/634114601.db2.gz ZYXXCSWOTFUROT-QWHCGFSZSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H]([NH2+]C[C@@](C)(O)C1CC1)c1ccccc1[O-] ZINC000310442068 634146534 /nfs/dbraw/zinc/14/65/34/634146534.db2.gz SQEZAFQTNPPXIO-IINYFYTJSA-N 0 3 235.327 2.204 20 10 BECDHN CCC(O)(CC)C[N@H+](C)Cc1ccccc1[O-] ZINC000305837344 636333814 /nfs/dbraw/zinc/33/38/14/636333814.db2.gz QGAOEZYNLFTKAF-UHFFFAOYSA-N 0 3 237.343 2.375 20 10 BECDHN CCC(O)(CC)C[N@@H+](C)Cc1ccccc1[O-] ZINC000305837344 636333820 /nfs/dbraw/zinc/33/38/20/636333820.db2.gz QGAOEZYNLFTKAF-UHFFFAOYSA-N 0 3 237.343 2.375 20 10 BECDHN CC(C)[C@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311112398 639662098 /nfs/dbraw/zinc/66/20/98/639662098.db2.gz WYRVNFBPIQLAHK-SWLSCSKDSA-N 0 3 249.354 2.376 20 10 BECDHN CC[C@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000163983842 640434354 /nfs/dbraw/zinc/43/43/54/640434354.db2.gz WVJFVIWUEUQJGQ-GHMZBOCLSA-N 0 3 223.316 2.204 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)CC2 ZINC000311149369 640493348 /nfs/dbraw/zinc/49/33/48/640493348.db2.gz IIBDCDKKMHPWME-AVGNSLFASA-N 0 3 247.338 2.273 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000167453275 640723134 /nfs/dbraw/zinc/72/31/34/640723134.db2.gz GLTWUXBGGHVFQA-QJPTWQEYSA-N 0 3 235.327 2.468 20 10 BECDHN COC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000226609530 640778870 /nfs/dbraw/zinc/77/88/70/640778870.db2.gz PEMBWKYLGFIUFF-GFCCVEGCSA-N 0 3 241.306 2.292 20 10 BECDHN COC[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111328 640846102 /nfs/dbraw/zinc/84/61/02/640846102.db2.gz XZVLXNWYTCWHMV-BDAKNGLRSA-N 0 3 227.279 2.217 20 10 BECDHN CC(C)C[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311184261 640862698 /nfs/dbraw/zinc/86/26/98/640862698.db2.gz ZZUKPHGTZYFDHQ-OLZOCXBDSA-N 0 3 249.354 2.376 20 10 BECDHN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000230392232 641048934 /nfs/dbraw/zinc/04/89/34/641048934.db2.gz HKJGKNWXENXBML-TVQRCGJNSA-N 0 3 239.290 2.188 20 10 BECDHN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000230392234 641049575 /nfs/dbraw/zinc/04/95/75/641049575.db2.gz HKJGKNWXENXBML-NOZJJQNGSA-N 0 3 239.290 2.188 20 10 BECDHN C[C@H]([NH2+]CCCN(C)C)c1ccc(F)cc1[O-] ZINC000062744920 641087033 /nfs/dbraw/zinc/08/70/33/641087033.db2.gz BMWGYPBXGQQQEW-JTQLQIEISA-N 0 3 240.322 2.134 20 10 BECDHN CC[C@H]([NH2+]Cc1cncn1C)c1ccccc1[O-] ZINC000271761112 641962417 /nfs/dbraw/zinc/96/24/17/641962417.db2.gz ZPICLXRCPUMBSF-ZDUSSCGKSA-N 0 3 245.326 2.367 20 10 BECDHN CN1CCC[C@@H]1CSc1nccs1 ZINC000916759888 641975885 /nfs/dbraw/zinc/97/58/85/641975885.db2.gz VIHKYPKKZJGZNY-MRVPVSSYSA-N 0 3 214.359 2.329 20 10 BECDHN CN1CCC[C@H]1CSc1nccs1 ZINC000916759889 641975199 /nfs/dbraw/zinc/97/51/99/641975199.db2.gz VIHKYPKKZJGZNY-QMMMGPOBSA-N 0 3 214.359 2.329 20 10 BECDHN C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179576939 642731122 /nfs/dbraw/zinc/73/11/22/642731122.db2.gz QUXXBCZVROKWKP-YPMHNXCESA-N 0 3 235.327 2.128 20 10 BECDHN C[C@@H](O)C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179576939 642731126 /nfs/dbraw/zinc/73/11/26/642731126.db2.gz QUXXBCZVROKWKP-YPMHNXCESA-N 0 3 235.327 2.128 20 10 BECDHN C[C@]1(C[NH2+]Cc2ccccc2[O-])CCCCO1 ZINC000922815371 644105921 /nfs/dbraw/zinc/10/59/21/644105921.db2.gz BIWRDFMWOPONBD-CQSZACIVSA-N 0 3 235.327 2.441 20 10 BECDHN C[C@@H]([NH2+]CC1(O)CCCC1)c1ccccc1[O-] ZINC000087015633 644470247 /nfs/dbraw/zinc/47/02/47/644470247.db2.gz PWFIVTLNCCACQR-LLVKDONJSA-N 0 3 235.327 2.348 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2)c([O-])c1 ZINC000087783675 644503106 /nfs/dbraw/zinc/50/31/06/644503106.db2.gz NBJRXGYVCXZMRS-WDEREUQCSA-N 0 3 221.300 2.140 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000248500077 644684616 /nfs/dbraw/zinc/68/46/16/644684616.db2.gz NCQHKSFJWFAQEI-CYZMBNFOSA-N 0 3 235.327 2.265 20 10 BECDHN C[C@H]([NH2+]CCn1cccn1)c1cc(F)ccc1[O-] ZINC000094617855 644719878 /nfs/dbraw/zinc/71/98/78/644719878.db2.gz TWUGBZQMNBWWCA-JTQLQIEISA-N 0 3 249.289 2.079 20 10 BECDHN C[C@H]([NH2+][C@@H](CO)CC1CC1)c1ccccc1[O-] ZINC000783520178 644755465 /nfs/dbraw/zinc/75/54/65/644755465.db2.gz YWDHYBNNWLKGBQ-CMPLNLGQSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@H]([NH2+][C@@H](CO)CCF)c1ccccc1[O-] ZINC000846096691 645403681 /nfs/dbraw/zinc/40/36/81/645403681.db2.gz KGLGDVGQADGBNS-PWSUYJOCSA-N 0 3 241.306 2.153 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@@H](C)O ZINC000386945763 711039472 /nfs/dbraw/zinc/03/94/72/711039472.db2.gz WNWXRDPQXKLVDF-SBMIAAHKSA-N 0 3 241.306 2.341 20 10 BECDHN CO[C@@H]([C@H](C)[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000388349212 711058820 /nfs/dbraw/zinc/05/88/20/711058820.db2.gz NSQOWSKUZDYCIE-HZMBPMFUSA-N 0 3 235.327 2.295 20 10 BECDHN COc1ccc(C[NH2+][C@@H]2CC[C@H]2C)c([O-])c1 ZINC000390671327 711131115 /nfs/dbraw/zinc/13/11/15/711131115.db2.gz SVHRXWJIZXNLQR-BXKDBHETSA-N 0 3 221.300 2.289 20 10 BECDHN CC(C)[C@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000394073002 711182852 /nfs/dbraw/zinc/18/28/52/711182852.db2.gz RBMJTNRMCKXPTA-RYUDHWBXSA-N 0 3 237.343 2.307 20 10 BECDHN C[C@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1[O-] ZINC000397132568 711378164 /nfs/dbraw/zinc/37/81/64/711378164.db2.gz WXLKLJRNMKUQHK-FZMZJTMJSA-N 0 3 235.327 2.469 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813891 711616526 /nfs/dbraw/zinc/61/65/26/711616526.db2.gz HWKSNURYTFCKSR-OCCSQVGLSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000724813891 711616527 /nfs/dbraw/zinc/61/65/27/711616527.db2.gz HWKSNURYTFCKSR-OCCSQVGLSA-N 0 3 233.311 2.003 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H](C)O ZINC000386961674 711763842 /nfs/dbraw/zinc/76/38/42/711763842.db2.gz ZGEIWANATVCEFG-ZMLRMANQSA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000228406603 711834700 /nfs/dbraw/zinc/83/47/00/711834700.db2.gz JDAUOPCWOJTVMM-OLZOCXBDSA-N 0 3 235.327 2.439 20 10 BECDHN COCC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180605022 711889341 /nfs/dbraw/zinc/88/93/41/711889341.db2.gz XGSZVAVDBFDJIG-UHFFFAOYSA-N 0 3 227.279 2.046 20 10 BECDHN C[C@@H]([NH2+]CCC1CC(O)C1)c1ccccc1[O-] ZINC000702439707 712052925 /nfs/dbraw/zinc/05/29/25/712052925.db2.gz HTBHWOFOMYGDOK-VOMCLLRMSA-N 0 3 235.327 2.204 20 10 BECDHN C[C@@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccccc1[O-] ZINC000705015430 712121689 /nfs/dbraw/zinc/12/16/89/712121689.db2.gz TUJSCSDMHOOEKF-PRHODGIISA-N 0 3 245.269 2.059 20 10 BECDHN CO[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000706483567 712147370 /nfs/dbraw/zinc/14/73/70/712147370.db2.gz MZDIOWMOGVKEFV-GMTAPVOTSA-N 0 3 221.300 2.220 20 10 BECDHN CC(=O)c1cc(F)cc(CN2CC[C@@H]3C[C@@H]32)c1O ZINC000707054670 712164339 /nfs/dbraw/zinc/16/43/39/712164339.db2.gz PAKNPALNKVDUFC-RNCFNFMXSA-N 0 3 249.285 2.328 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c([O-])c1 ZINC000707702435 712177113 /nfs/dbraw/zinc/17/71/13/712177113.db2.gz ISKYKKIVZJQPOD-SDDRHHMPSA-N 0 3 235.327 2.122 20 10 BECDHN CCc1cccc(CNCc2cc(C)n[nH]2)c1O ZINC000716451073 712561857 /nfs/dbraw/zinc/56/18/57/712561857.db2.gz MUZKDQBCYXMIKJ-UHFFFAOYSA-N 0 3 245.326 2.276 20 10 BECDHN C[C@H]1CSC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000379897846 712621835 /nfs/dbraw/zinc/62/18/35/712621835.db2.gz HJIDGGQIBDQXAC-GXSJLCMTSA-N 0 3 223.341 2.233 20 10 BECDHN C[C@H]([NH2+][C@H]1CCN(C)[C@H]1C)c1ccccc1[O-] ZINC000719647007 712820000 /nfs/dbraw/zinc/82/00/00/712820000.db2.gz MMVLGYCQMHYDBL-GVXVVHGQSA-N 0 3 234.343 2.135 20 10 BECDHN COc1ccc(C[NH2+]C[C@@H]2CCC=CO2)c([O-])c1 ZINC000380226726 712833637 /nfs/dbraw/zinc/83/36/37/712833637.db2.gz OPYMSEJIUQJZLM-ZDUSSCGKSA-N 0 3 249.310 2.183 20 10 BECDHN CCC[C@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC000041049385 1165777033 /nfs/dbraw/zinc/77/70/33/1165777033.db2.gz HMRUIPKXDYUJHB-VIFPVBQESA-N 0 3 209.289 2.376 20 10 BECDHN CC[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204275346 966950327 /nfs/dbraw/zinc/95/03/27/966950327.db2.gz OUSFQKYNESQLLF-NSHDSACASA-N 0 3 221.300 2.472 20 10 BECDHN CC[C@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204275346 966950341 /nfs/dbraw/zinc/95/03/41/966950341.db2.gz OUSFQKYNESQLLF-NSHDSACASA-N 0 3 221.300 2.472 20 10 BECDHN C[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273078 966953791 /nfs/dbraw/zinc/95/37/91/966953791.db2.gz WTPWZYBAUYHBSA-SNVBAGLBSA-N 0 3 221.300 2.330 20 10 BECDHN C[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273078 966953796 /nfs/dbraw/zinc/95/37/96/966953796.db2.gz WTPWZYBAUYHBSA-SNVBAGLBSA-N 0 3 221.300 2.330 20 10 BECDHN COCC1(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000691805907 983792872 /nfs/dbraw/zinc/79/28/72/983792872.db2.gz HJDOGOBUWPWGLH-NSHDSACASA-N 0 3 235.327 2.469 20 10 BECDHN COC(C)(C)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000404329345 971156964 /nfs/dbraw/zinc/15/69/64/971156964.db2.gz XINCHBAJJZYHMF-UHFFFAOYSA-N 0 3 241.306 2.388 20 10 BECDHN COC(C)(C)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000404329345 971156967 /nfs/dbraw/zinc/15/69/67/971156967.db2.gz XINCHBAJJZYHMF-UHFFFAOYSA-N 0 3 241.306 2.388 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCOCC1 ZINC001170831630 971950706 /nfs/dbraw/zinc/95/07/06/971950706.db2.gz QWVLOCLXRGMQPN-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCOCC1 ZINC001170831630 971950717 /nfs/dbraw/zinc/95/07/17/971950717.db2.gz QWVLOCLXRGMQPN-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CC1(C)OCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000693096723 957667934 /nfs/dbraw/zinc/66/79/34/957667934.db2.gz FBHGCKIVHABIHA-LBPRGKRZSA-N 0 3 235.327 2.297 20 10 BECDHN Cc1ccc(O)c(CN2CC[C@@H](F)C2)c1 ZINC000689850287 959306365 /nfs/dbraw/zinc/30/63/65/959306365.db2.gz RFMVKGLSZIUGNJ-LLVKDONJSA-N 0 3 209.264 2.244 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC001140948073 960742236 /nfs/dbraw/zinc/74/22/36/960742236.db2.gz RTKPHWCMESFYQO-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC001140948073 960742258 /nfs/dbraw/zinc/74/22/58/960742258.db2.gz RTKPHWCMESFYQO-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001140948355 960743533 /nfs/dbraw/zinc/74/35/33/960743533.db2.gz GFPFPIQPGQGRAT-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001140948355 960743545 /nfs/dbraw/zinc/74/35/45/960743545.db2.gz GFPFPIQPGQGRAT-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCC3(COC3)C2)c([O-])c1 ZINC001140948105 960747654 /nfs/dbraw/zinc/74/76/54/960747654.db2.gz SXNOUBYCHQBPQY-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc(C[N@H+]2CCCC3(COC3)C2)c([O-])c1 ZINC001140948105 960747667 /nfs/dbraw/zinc/74/76/67/960747667.db2.gz SXNOUBYCHQBPQY-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc(C[NH+]2CCC3(COC3)CC2)c([O-])c1 ZINC001140948579 960751112 /nfs/dbraw/zinc/75/11/12/960751112.db2.gz PIOOQQSKXGJQRJ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC001140957800 960754516 /nfs/dbraw/zinc/75/45/16/960754516.db2.gz OCDDOKXXQFIQBP-DZGCQCFKSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c([O-])c1 ZINC001140957800 960754526 /nfs/dbraw/zinc/75/45/26/960754526.db2.gz OCDDOKXXQFIQBP-DZGCQCFKSA-N 0 3 247.338 2.311 20 10 BECDHN CC(=O)[C@@H]1CCCN1Cc1ccc(C)cc1O ZINC001140954658 960759126 /nfs/dbraw/zinc/75/91/26/960759126.db2.gz JRPMCBVKQWBNBS-ZDUSSCGKSA-N 0 3 233.311 2.254 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167895055 961513741 /nfs/dbraw/zinc/51/37/41/961513741.db2.gz RPQKCMGCFKSONR-GDNZZTSVSA-N 0 3 203.285 2.280 20 10 BECDHN CCOCC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC001172411521 974676445 /nfs/dbraw/zinc/67/64/45/974676445.db2.gz MWVCDOXLTFNUIS-JTQLQIEISA-N 0 3 239.315 2.003 20 10 BECDHN COc1ccc(C[N@H+](C)CCSC)c([O-])c1 ZINC000093509661 964160102 /nfs/dbraw/zinc/16/01/02/964160102.db2.gz AEGQIKMJASNZNL-UHFFFAOYSA-N 0 3 241.356 2.196 20 10 BECDHN COc1ccc(C[N@@H+](C)CCSC)c([O-])c1 ZINC000093509661 964160110 /nfs/dbraw/zinc/16/01/10/964160110.db2.gz AEGQIKMJASNZNL-UHFFFAOYSA-N 0 3 241.356 2.196 20 10 BECDHN COc1ccc(C[N@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC000093661171 964175919 /nfs/dbraw/zinc/17/59/19/964175919.db2.gz TWLAYHIGGRRYCF-BETUJISGSA-N 0 3 247.338 2.489 20 10 BECDHN COc1ccc(C[N@@H+]2C[C@@H]3[C@H](C2)C3(C)C)c([O-])c1 ZINC000093661171 964175926 /nfs/dbraw/zinc/17/59/26/964175926.db2.gz TWLAYHIGGRRYCF-BETUJISGSA-N 0 3 247.338 2.489 20 10 BECDHN C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1ccccc1[O-] ZINC000699474967 965902235 /nfs/dbraw/zinc/90/22/35/965902235.db2.gz LKBXIJOKBYGEKW-JFGNBEQYSA-N 0 3 221.300 2.078 20 10 BECDHN C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000699811816 966103620 /nfs/dbraw/zinc/10/36/20/966103620.db2.gz YJCQPLRKDRZQND-AUTRQRHGSA-N 0 3 239.290 2.217 20 10 BECDHN CCc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC001236784057 966534780 /nfs/dbraw/zinc/53/47/80/966534780.db2.gz RROHMQHVZIQSFL-BXUZGUMPSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC001236784057 966534783 /nfs/dbraw/zinc/53/47/83/966534783.db2.gz RROHMQHVZIQSFL-BXUZGUMPSA-N 0 3 249.354 2.300 20 10 BECDHN COCC1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000691811308 966561161 /nfs/dbraw/zinc/56/11/61/966561161.db2.gz HMYJMVLDTJXYPP-UHFFFAOYSA-N 0 3 239.290 2.048 20 10 BECDHN C[C@H]1CN(Cc2ccccc2O)CCCC1=O ZINC001203550058 966677417 /nfs/dbraw/zinc/67/74/17/966677417.db2.gz GFGLWDLWSBNSSJ-NSHDSACASA-N 0 3 233.311 2.193 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001203550190 966678529 /nfs/dbraw/zinc/67/85/29/966678529.db2.gz LBPUOMXMCOEDPN-UHFFFAOYSA-N 0 3 233.311 2.005 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCCC2(COC2)C1 ZINC001203550190 966678536 /nfs/dbraw/zinc/67/85/36/966678536.db2.gz LBPUOMXMCOEDPN-UHFFFAOYSA-N 0 3 233.311 2.005 20 10 BECDHN C[C@H]1C[C@H]2C[N@H+](Cc3ccccc3[O-])CC[C@H]2O1 ZINC001203551303 966681479 /nfs/dbraw/zinc/68/14/79/966681479.db2.gz BGQQJFDQWDCZID-CORIIIEPSA-N 0 3 247.338 2.392 20 10 BECDHN C[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3[O-])CC[C@H]2O1 ZINC001203551303 966681499 /nfs/dbraw/zinc/68/14/99/966681499.db2.gz BGQQJFDQWDCZID-CORIIIEPSA-N 0 3 247.338 2.392 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001203550030 966682560 /nfs/dbraw/zinc/68/25/60/966682560.db2.gz FUBRDBXLUICSAR-CQSZACIVSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001203550030 966682584 /nfs/dbraw/zinc/68/25/84/966682584.db2.gz FUBRDBXLUICSAR-CQSZACIVSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001203561332 966692751 /nfs/dbraw/zinc/69/27/51/966692751.db2.gz QPJASXWZRBVDBF-CMPLNLGQSA-N 0 3 203.285 2.377 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001203561332 966692764 /nfs/dbraw/zinc/69/27/64/966692764.db2.gz QPJASXWZRBVDBF-CMPLNLGQSA-N 0 3 203.285 2.377 20 10 BECDHN COc1ccc(C[NH+]2CC3(CCC3)C2)c([O-])c1 ZINC001203621572 966710956 /nfs/dbraw/zinc/71/09/56/966710956.db2.gz XOKUCLGZMDNBNB-UHFFFAOYSA-N 0 3 233.311 2.387 20 10 BECDHN COc1ccc(CN2CCC[C@@H]2CF)c(O)c1 ZINC001203635075 966713365 /nfs/dbraw/zinc/71/33/65/966713365.db2.gz JQUCYIMPNKCFIK-LLVKDONJSA-N 0 3 239.290 2.335 20 10 BECDHN Oc1ccc(CN2CCC(CF)CC2)cc1O ZINC001203880835 966810324 /nfs/dbraw/zinc/81/03/24/966810324.db2.gz BLWVIFANZUSYNQ-UHFFFAOYSA-N 0 3 239.290 2.279 20 10 BECDHN Oc1ccccc1CN1CCc2cnccc2C1 ZINC001203547273 966883690 /nfs/dbraw/zinc/88/36/90/966883690.db2.gz MOIBQHMRNBACJN-UHFFFAOYSA-N 0 3 240.306 2.346 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](F)CC1 ZINC001204276068 966953916 /nfs/dbraw/zinc/95/39/16/966953916.db2.gz FLUSNKBOGOQRRK-LLVKDONJSA-N 0 3 239.290 2.422 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](F)CC1 ZINC001204276068 966953908 /nfs/dbraw/zinc/95/39/08/966953908.db2.gz FLUSNKBOGOQRRK-LLVKDONJSA-N 0 3 239.290 2.422 20 10 BECDHN [O-]c1cc(O)ccc1C[NH+]1CC2(C1)CCCC2 ZINC001204277005 966957194 /nfs/dbraw/zinc/95/71/94/966957194.db2.gz VNQWKURCWJKWFA-UHFFFAOYSA-N 0 3 233.311 2.474 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](CF)C1 ZINC001204278818 966960726 /nfs/dbraw/zinc/96/07/26/966960726.db2.gz KGRDMBBJQCZZIH-SNVBAGLBSA-N 0 3 239.290 2.279 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](CF)C1 ZINC001204278818 966960731 /nfs/dbraw/zinc/96/07/31/966960731.db2.gz KGRDMBBJQCZZIH-SNVBAGLBSA-N 0 3 239.290 2.279 20 10 BECDHN Oc1ccc(CN2CCCC[C@H](F)C2)c(O)c1 ZINC001204276907 966960758 /nfs/dbraw/zinc/96/07/58/966960758.db2.gz SZDCZAZVHJSESA-NSHDSACASA-N 0 3 239.290 2.422 20 10 BECDHN C[C@@H]1C[C@@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209434349 969507782 /nfs/dbraw/zinc/50/77/82/969507782.db2.gz YBIGTXODZKBKGT-ZYHUDNBSSA-N 0 3 217.312 2.406 20 10 BECDHN C[C@@H]1C[C@@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001209434349 969507787 /nfs/dbraw/zinc/50/77/87/969507787.db2.gz YBIGTXODZKBKGT-ZYHUDNBSSA-N 0 3 217.312 2.406 20 10 BECDHN CN(C)c1cc(F)c(CNC2CC2)cc1F ZINC001328752338 973332065 /nfs/dbraw/zinc/33/20/65/973332065.db2.gz VFLZESBOHUUCCC-UHFFFAOYSA-N 0 3 226.270 2.283 20 10 BECDHN CN(C)c1cc(F)c(CNCCCF)cc1F ZINC001328765084 973340008 /nfs/dbraw/zinc/34/00/08/973340008.db2.gz TVPNSFHWNKSQPY-UHFFFAOYSA-N 0 3 246.276 2.480 20 10 BECDHN COc1ccc(N2C[C@H]3CC[C@@H](C2)N3C)c(C)c1 ZINC001277018356 974189421 /nfs/dbraw/zinc/18/94/21/974189421.db2.gz JGFJLTVJCFEHTQ-BETUJISGSA-N 0 3 246.354 2.286 20 10 BECDHN Oc1cccc2c1CN(Cc1cccnc1)CC2 ZINC001204076215 974209337 /nfs/dbraw/zinc/20/93/37/974209337.db2.gz PKXQMNWKTNCCHE-UHFFFAOYSA-N 0 3 240.306 2.346 20 10 BECDHN CC[C@@H]1CCN(Cc2cc(O)c(O)c(O)c2)C1 ZINC001233015229 978415904 /nfs/dbraw/zinc/41/59/04/978415904.db2.gz FUAKCLBQMBBQGB-SECBINFHSA-N 0 3 237.299 2.035 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236784771 979728003 /nfs/dbraw/zinc/72/80/03/979728003.db2.gz ZVLNMPUGRBXFCG-SMDDNHRTSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236784771 979728015 /nfs/dbraw/zinc/72/80/15/979728015.db2.gz ZVLNMPUGRBXFCG-SMDDNHRTSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC001236784056 979728826 /nfs/dbraw/zinc/72/88/26/979728826.db2.gz RPESDHDFVYYUNP-LBPRGKRZSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[N@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC001236784056 979728837 /nfs/dbraw/zinc/72/88/37/979728837.db2.gz RPESDHDFVYYUNP-LBPRGKRZSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[N@@H+]2CCCOCC2)c([O-])c1 ZINC001236782412 979729197 /nfs/dbraw/zinc/72/91/97/979729197.db2.gz BCJBMDKRHYZBHE-UHFFFAOYSA-N 0 3 235.327 2.177 20 10 BECDHN CCc1ccc(C[N@H+]2CCCOCC2)c([O-])c1 ZINC001236782412 979729202 /nfs/dbraw/zinc/72/92/02/979729202.db2.gz BCJBMDKRHYZBHE-UHFFFAOYSA-N 0 3 235.327 2.177 20 10 BECDHN CCc1ccc(C[NH+]2CCC(CO)CC2)c([O-])c1 ZINC001236786238 979730297 /nfs/dbraw/zinc/73/02/97/979730297.db2.gz NCHXDZMNFKJIOI-UHFFFAOYSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1ccc(C[N@H+](C)CCOC)c([O-])c1 ZINC001236782789 979731552 /nfs/dbraw/zinc/73/15/52/979731552.db2.gz DWYZAAGZOLJDNZ-UHFFFAOYSA-N 0 3 223.316 2.033 20 10 BECDHN CCc1ccc(C[N@@H+](C)CCOC)c([O-])c1 ZINC001236782789 979731558 /nfs/dbraw/zinc/73/15/58/979731558.db2.gz DWYZAAGZOLJDNZ-UHFFFAOYSA-N 0 3 223.316 2.033 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC001236784316 979732953 /nfs/dbraw/zinc/73/29/53/979732953.db2.gz URPJKMWAIAOVRX-ZDUSSCGKSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@H](OC)C2)c([O-])c1 ZINC001236784316 979732959 /nfs/dbraw/zinc/73/29/59/979732959.db2.gz URPJKMWAIAOVRX-ZDUSSCGKSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001236786957 979734219 /nfs/dbraw/zinc/73/42/19/979734219.db2.gz SSMLSPPPZZXNPW-OKILXGFUSA-N 0 3 247.338 2.033 20 10 BECDHN CCc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC001236786957 979734228 /nfs/dbraw/zinc/73/42/28/979734228.db2.gz SSMLSPPPZZXNPW-OKILXGFUSA-N 0 3 247.338 2.033 20 10 BECDHN CC(C)(C)c1ccc(O)c(CN2CCNC2)c1 ZINC001236850396 979757860 /nfs/dbraw/zinc/75/78/60/979757860.db2.gz LKOFRDJQXXIVDG-UHFFFAOYSA-N 0 3 234.343 2.052 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001237044993 979808121 /nfs/dbraw/zinc/80/81/21/979808121.db2.gz GXMCUPCPDNUSQR-HNNXBMFYSA-N 0 3 249.354 2.472 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001237044993 979808126 /nfs/dbraw/zinc/80/81/26/979808126.db2.gz GXMCUPCPDNUSQR-HNNXBMFYSA-N 0 3 249.354 2.472 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@@H](C)CC1 ZINC001237486170 979908499 /nfs/dbraw/zinc/90/84/99/979908499.db2.gz WMJRBALEKAZODZ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@@H](C)CC1 ZINC001237486170 979908506 /nfs/dbraw/zinc/90/85/06/979908506.db2.gz WMJRBALEKAZODZ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](O)[C@H](C)C1 ZINC001237484285 979911163 /nfs/dbraw/zinc/91/11/63/979911163.db2.gz ACGMPMYLWHWUBQ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](O)[C@H](C)C1 ZINC001237484285 979911168 /nfs/dbraw/zinc/91/11/68/979911168.db2.gz ACGMPMYLWHWUBQ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237493414 979920124 /nfs/dbraw/zinc/92/01/24/979920124.db2.gz YFPFYLWUZJWOLQ-SWLSCSKDSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001237493414 979920132 /nfs/dbraw/zinc/92/01/32/979920132.db2.gz YFPFYLWUZJWOLQ-SWLSCSKDSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cc(F)cc(CN2CC[C@@H]2C)c1O ZINC001238064887 980132186 /nfs/dbraw/zinc/13/21/86/980132186.db2.gz RFRTZWNJIIKGRL-VIFPVBQESA-N 0 3 209.264 2.434 20 10 BECDHN C[C@]1(CF)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874731 982551234 /nfs/dbraw/zinc/55/12/34/982551234.db2.gz CEEKQLANYZMXTQ-CYBMUJFWSA-N 0 3 239.290 2.279 20 10 BECDHN CO[C@H]1CC[C@@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000687213448 985270768 /nfs/dbraw/zinc/27/07/68/985270768.db2.gz WABOOYGSNSVHGW-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@H]1CC[C@@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000687213448 985270785 /nfs/dbraw/zinc/27/07/85/985270785.db2.gz WABOOYGSNSVHGW-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN CC(C)(C)[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001253729845 986342260 /nfs/dbraw/zinc/34/22/60/986342260.db2.gz LGHYASPQTSPEQP-CQSZACIVSA-N 0 3 249.354 2.157 20 10 BECDHN CC(C)(C)[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001253729845 986342270 /nfs/dbraw/zinc/34/22/70/986342270.db2.gz LGHYASPQTSPEQP-CQSZACIVSA-N 0 3 249.354 2.157 20 10 BECDHN CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000694325414 987323500 /nfs/dbraw/zinc/32/35/00/987323500.db2.gz WAAACIRLDDBTFD-SUHUHFCYSA-N 0 3 233.311 2.147 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)[C@@H](C)O ZINC001615686623 1170530320 /nfs/dbraw/zinc/53/03/20/1170530320.db2.gz RSROWVGUFAHEBF-VXGBXAGGSA-N 0 3 237.343 2.374 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)[C@@H](C)O ZINC001615686623 1170530326 /nfs/dbraw/zinc/53/03/26/1170530326.db2.gz RSROWVGUFAHEBF-VXGBXAGGSA-N 0 3 237.343 2.374 20 10 BECDHN C[C@H](Cc1ccco1)[NH2+]Cc1ccc(O)cc1[O-] ZINC000036993626 1170925015 /nfs/dbraw/zinc/92/50/15/1170925015.db2.gz GDJSCBUXUFVGPR-SNVBAGLBSA-N 0 3 247.294 2.412 20 10 BECDHN CCC(CC)(CO)C[NH2+]Cc1ccccc1[O-] ZINC000159552974 168328026 /nfs/dbraw/zinc/32/80/26/168328026.db2.gz WJUPRZSFTKBVKS-UHFFFAOYSA-N 0 3 237.343 2.281 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C(C)(C)CCO)cc1C ZINC000266172481 178197374 /nfs/dbraw/zinc/19/73/74/178197374.db2.gz RVTNCSDMIZEBTL-UHFFFAOYSA-N 0 3 237.343 2.260 20 10 BECDHN Cc1cc(O)c(CN[C@H](C)CF)cc1C ZINC000288421188 178197780 /nfs/dbraw/zinc/19/77/80/178197780.db2.gz JSLUMWKKIKWGFA-SNVBAGLBSA-N 0 3 211.280 2.457 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CC2=CCCOC2)cc1C ZINC000288557191 178197890 /nfs/dbraw/zinc/19/78/90/178197890.db2.gz YHBZCGSOBGODIG-UHFFFAOYSA-N 0 3 247.338 2.445 20 10 BECDHN CC[C@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000294304530 398260777 /nfs/dbraw/zinc/26/07/77/398260777.db2.gz NNYLMPYHWPXLOQ-RYUDHWBXSA-N 0 3 237.343 2.431 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])CC1=CCCOC1 ZINC000091974599 398304335 /nfs/dbraw/zinc/30/43/35/398304335.db2.gz VBIBCFMZPXMISH-UHFFFAOYSA-N 0 3 233.311 2.171 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])CC1=CCCOC1 ZINC000091974599 398304337 /nfs/dbraw/zinc/30/43/37/398304337.db2.gz VBIBCFMZPXMISH-UHFFFAOYSA-N 0 3 233.311 2.171 20 10 BECDHN C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)c1ccccc1[O-] ZINC000128224792 398339773 /nfs/dbraw/zinc/33/97/73/398339773.db2.gz WMNDEMWEVMIVIJ-BIMULSAOSA-N 0 3 235.327 2.202 20 10 BECDHN CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000293920852 187242016 /nfs/dbraw/zinc/24/20/16/187242016.db2.gz XIEBISBCCFSVBI-LBPRGKRZSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@@H](CCCO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296627300 136375952 /nfs/dbraw/zinc/37/59/52/136375952.db2.gz XEECLVNIWURAAT-RYUDHWBXSA-N 0 3 237.343 2.451 20 10 BECDHN CC1(C)C[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000045118289 187269373 /nfs/dbraw/zinc/26/93/73/187269373.db2.gz MBTRBFQAMIJPDL-GFCCVEGCSA-N 0 3 235.283 2.009 20 10 BECDHN CC(C)C[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000065943617 343836150 /nfs/dbraw/zinc/83/61/50/343836150.db2.gz QVTIQWBUSVOQIR-UHFFFAOYSA-N 0 3 237.299 2.209 20 10 BECDHN CC(C)C[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000065943617 343836152 /nfs/dbraw/zinc/83/61/52/343836152.db2.gz QVTIQWBUSVOQIR-UHFFFAOYSA-N 0 3 237.299 2.209 20 10 BECDHN CC1(C)CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000097987272 344404983 /nfs/dbraw/zinc/40/49/83/344404983.db2.gz CXCNIUJCZWECIS-UHFFFAOYSA-N 0 3 249.310 2.353 20 10 BECDHN CC1(C)CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000097987272 344404985 /nfs/dbraw/zinc/40/49/85/344404985.db2.gz CXCNIUJCZWECIS-UHFFFAOYSA-N 0 3 249.310 2.353 20 10 BECDHN CCN1CCC[C@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000124642015 345048075 /nfs/dbraw/zinc/04/80/75/345048075.db2.gz YWWDBLUZFLCVSK-AWEZNQCLSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)C)c([O-])c1 ZINC000168777449 178890161 /nfs/dbraw/zinc/89/01/61/178890161.db2.gz QFCAVOKSASDPCA-SMDDNHRTSA-N 0 3 237.343 2.368 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000093483085 345674015 /nfs/dbraw/zinc/67/40/15/345674015.db2.gz VOZIKSISFUZGII-TZMCWYRMSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1 ZINC000093483085 345674016 /nfs/dbraw/zinc/67/40/16/345674016.db2.gz VOZIKSISFUZGII-TZMCWYRMSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275905777 179068291 /nfs/dbraw/zinc/06/82/91/179068291.db2.gz DQRFDNPDLIXIFT-HDJSIYSDSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1[O-] ZINC000275905777 179068294 /nfs/dbraw/zinc/06/82/94/179068294.db2.gz DQRFDNPDLIXIFT-HDJSIYSDSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[NH+]2CCC3(CCO3)CC2)c1[O-] ZINC000376740126 179073563 /nfs/dbraw/zinc/07/35/63/179073563.db2.gz QNSGSGXFBSKAMS-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1[O-] ZINC000276064257 179080256 /nfs/dbraw/zinc/08/02/56/179080256.db2.gz VLYRWSOOUGILOB-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1[O-] ZINC000276064257 179080259 /nfs/dbraw/zinc/08/02/59/179080259.db2.gz VLYRWSOOUGILOB-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC000180377112 179075516 /nfs/dbraw/zinc/07/55/16/179075516.db2.gz OQVLPMIPENTOQS-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC000180377112 179075518 /nfs/dbraw/zinc/07/55/18/179075518.db2.gz OQVLPMIPENTOQS-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[NH2+]CC2=CCCOC2)c1[O-] ZINC000289247196 179090052 /nfs/dbraw/zinc/09/00/52/179090052.db2.gz ASSAYTOONQTTCH-UHFFFAOYSA-N 0 3 233.311 2.137 20 10 BECDHN Cc1cccc(C[NH2+]CCC[C@H](C)CO)c1[O-] ZINC000224938801 179092767 /nfs/dbraw/zinc/09/27/67/179092767.db2.gz IEXQQYHZBJQHCR-NSHDSACASA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc(C[NH2+]CCc2ccccn2)c1[O-] ZINC000161121467 179092879 /nfs/dbraw/zinc/09/28/79/179092879.db2.gz VYPWXEJFCFZJNO-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1[O-] ZINC000294026749 179093510 /nfs/dbraw/zinc/09/35/10/179093510.db2.gz NWMQCKDFPXLBOM-DOMZBBRYSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H](C)N(C)C2CC2)c1[O-] ZINC000224804901 179093521 /nfs/dbraw/zinc/09/35/21/179093521.db2.gz YJNDIOBNQDQAME-LBPRGKRZSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H]2CCOC[C@H]2C)c1[O-] ZINC000289863761 179094504 /nfs/dbraw/zinc/09/45/04/179094504.db2.gz VMGLGBWIMILOOA-CHWSQXEVSA-N 0 3 249.354 2.463 20 10 BECDHN CC[C@@H](O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168827567 346744352 /nfs/dbraw/zinc/74/43/52/346744352.db2.gz FVUDWJLSAANHLJ-MWLCHTKSSA-N 0 3 241.306 2.343 20 10 BECDHN c1cc(CNCC2=CCCOC2)cc2c1OCC2 ZINC000269311575 192375998 /nfs/dbraw/zinc/37/59/98/192375998.db2.gz VXWJKUAJCNNBLT-UHFFFAOYSA-N 0 3 245.322 2.058 20 10 BECDHN Cc1c([C@H](C)[NH2+]Cc2ccccc2[O-])cnn1C ZINC000020352509 350501403 /nfs/dbraw/zinc/50/14/03/350501403.db2.gz MZFOEFMYJBWLDH-JTQLQIEISA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000123535127 188015959 /nfs/dbraw/zinc/01/59/59/188015959.db2.gz XEBBZEAMOWJRLW-WDEREUQCSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)CCCO)c1 ZINC000294690049 188269594 /nfs/dbraw/zinc/26/95/94/188269594.db2.gz CFTWYXKJYPUMSU-LBPRGKRZSA-N 0 3 237.343 2.199 20 10 BECDHN CC(C)(CCO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297507055 188283270 /nfs/dbraw/zinc/28/32/70/188283270.db2.gz CHVSNTMHSDNRFQ-LBPRGKRZSA-N 0 3 249.354 2.378 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c1[O-] ZINC000271842492 188376705 /nfs/dbraw/zinc/37/67/05/188376705.db2.gz REKWEKVVVLDNED-MQMHXKEQSA-N 0 3 249.354 2.341 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)CC2 ZINC000296620005 183126087 /nfs/dbraw/zinc/12/60/87/183126087.db2.gz WUALKGLSXGNAQC-WXHSDQCUSA-N 0 3 247.338 2.130 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CCC1(O)CCC1)CC2 ZINC000296241105 183297551 /nfs/dbraw/zinc/29/75/51/183297551.db2.gz AWACOSKVEIYYHI-GFCCVEGCSA-N 0 3 247.338 2.274 20 10 BECDHN [O-]c1ccccc1C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000179556765 183301782 /nfs/dbraw/zinc/30/17/82/183301782.db2.gz ZYGFIGITLLNMLF-GFCCVEGCSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000179556765 183301785 /nfs/dbraw/zinc/30/17/85/183301785.db2.gz ZYGFIGITLLNMLF-GFCCVEGCSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCSC1 ZINC000224479277 183303741 /nfs/dbraw/zinc/30/37/41/183303741.db2.gz YIRIQMKLQCWJAZ-JTQLQIEISA-N 0 3 223.341 2.235 20 10 BECDHN CCOCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000036229206 383888754 /nfs/dbraw/zinc/88/87/54/383888754.db2.gz ULCJYAPXLNNPOV-LLVKDONJSA-N 0 3 223.316 2.388 20 10 BECDHN CN(C)c1ccc(CN2CCCC2)cc1F ZINC000113316802 383976181 /nfs/dbraw/zinc/97/61/81/383976181.db2.gz SWELNMHEMYXNHE-UHFFFAOYSA-N 0 3 222.307 2.488 20 10 BECDHN CC1(C)OCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000293920849 384067149 /nfs/dbraw/zinc/06/71/49/384067149.db2.gz XIEBISBCCFSVBI-GFCCVEGCSA-N 0 3 221.300 2.049 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1[O-] ZINC000038088666 384067319 /nfs/dbraw/zinc/06/73/19/384067319.db2.gz JKEBYISQFMJCLO-WCQYABFASA-N 0 3 236.359 2.383 20 10 BECDHN CC[C@H](COC)[NH2+][C@H](C)c1ccccc1[O-] ZINC000070625207 384127399 /nfs/dbraw/zinc/12/73/99/384127399.db2.gz IZUPUACWVXKAJS-GHMZBOCLSA-N 0 3 223.316 2.468 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000071407945 384164840 /nfs/dbraw/zinc/16/48/40/384164840.db2.gz DUUVWICMDKEKOE-GFCCVEGCSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](C)Cn2ccnc2)c1 ZINC000071407953 384166404 /nfs/dbraw/zinc/16/64/04/384166404.db2.gz IUIFRBLWFJEDFA-GFCCVEGCSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2O)c1 ZINC000071409190 384166768 /nfs/dbraw/zinc/16/67/68/384166768.db2.gz PRABIXRGWGDLCK-TZMCWYRMSA-N 0 3 235.327 2.094 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CCN(C)C)c1 ZINC000071408489 384166992 /nfs/dbraw/zinc/16/69/92/384166992.db2.gz FXUUKEDRVXXHPN-GFCCVEGCSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CCC([C@@H](C)O)CC2)c1 ZINC000092970656 384203428 /nfs/dbraw/zinc/20/34/28/384203428.db2.gz QDYYOFHGKRHBDI-GFCCVEGCSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCO)c([O-])c1 ZINC000132549005 384235257 /nfs/dbraw/zinc/23/52/57/384235257.db2.gz XUARHGIHUBCALW-WDEREUQCSA-N 0 3 223.316 2.122 20 10 BECDHN CC[N@H+](CCOC)Cc1cc(C)ccc1[O-] ZINC000132694801 384244265 /nfs/dbraw/zinc/24/42/65/384244265.db2.gz JRJBKAPLFVZOAG-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CC[N@@H+](CCOC)Cc1cc(C)ccc1[O-] ZINC000132694801 384244271 /nfs/dbraw/zinc/24/42/71/384244271.db2.gz JRJBKAPLFVZOAG-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN Cc1ccc(O)c(CN2CCOC[C@H]2C2CC2)c1 ZINC000093645756 384253082 /nfs/dbraw/zinc/25/30/82/384253082.db2.gz RPFOOMUXWWUGTG-AWEZNQCLSA-N 0 3 247.338 2.311 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000094617628 384306943 /nfs/dbraw/zinc/30/69/43/384306943.db2.gz KGWNBDVENJSAGH-ZJUUUORDSA-N 0 3 239.290 2.218 20 10 BECDHN CCN(C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618106 384307356 /nfs/dbraw/zinc/30/73/56/384307356.db2.gz WCLDBFAJLCMPBG-SNVBAGLBSA-N 0 3 240.322 2.134 20 10 BECDHN C[C@@H](CCN(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297598554 384307818 /nfs/dbraw/zinc/30/78/18/384307818.db2.gz HXJBMZKTLNPFDQ-WCQYABFASA-N 0 3 248.370 2.309 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000094616771 384308181 /nfs/dbraw/zinc/30/81/81/384308181.db2.gz HKWNJFYQTKCCNE-GXSJLCMTSA-N 0 3 239.290 2.361 20 10 BECDHN COC[C@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618018 384308544 /nfs/dbraw/zinc/30/85/44/384308544.db2.gz DTYRLMUKTXIPSO-ZJUUUORDSA-N 0 3 241.306 2.464 20 10 BECDHN CC[C@@H](CCO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000094948284 384322031 /nfs/dbraw/zinc/32/20/31/384322031.db2.gz DCAHEKRURAUZJV-RYUDHWBXSA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)O)c([O-])c1C ZINC000134899812 384396745 /nfs/dbraw/zinc/39/67/45/384396745.db2.gz XDDOVHDHPNBKKI-ONGXEEELSA-N 0 3 223.316 2.040 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)O)c([O-])c1C ZINC000134899753 384398435 /nfs/dbraw/zinc/39/84/35/384398435.db2.gz XDDOVHDHPNBKKI-MWLCHTKSSA-N 0 3 223.316 2.040 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)CCO)c1ccccc1[O-] ZINC000097439801 384519665 /nfs/dbraw/zinc/51/96/65/384519665.db2.gz CMGLHKWDOIOEOF-DGCLKSJQSA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CCO)c1 ZINC000097436269 384519813 /nfs/dbraw/zinc/51/98/13/384519813.db2.gz LLYJCXDCVARJDR-RYUDHWBXSA-N 0 3 237.343 2.370 20 10 BECDHN C[C@@H]([NH2+]CCCn1ccnc1)c1ccccc1[O-] ZINC000020506288 384620443 /nfs/dbraw/zinc/62/04/43/384620443.db2.gz FHHPGADZQSJYJL-GFCCVEGCSA-N 0 3 245.326 2.330 20 10 BECDHN C[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCC1 ZINC000172963878 384641390 /nfs/dbraw/zinc/64/13/90/384641390.db2.gz FVRPGSQQRGKFHP-UHFFFAOYSA-N 0 3 235.283 2.105 20 10 BECDHN C[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCC1 ZINC000172963878 384641391 /nfs/dbraw/zinc/64/13/91/384641391.db2.gz FVRPGSQQRGKFHP-UHFFFAOYSA-N 0 3 235.283 2.105 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)CO)c1ccccc1[O-] ZINC000083219983 384754177 /nfs/dbraw/zinc/75/41/77/384754177.db2.gz HXTIXRDDFWQZEC-ZYHUDNBSSA-N 0 3 223.316 2.061 20 10 BECDHN CC[C@@H]([NH2+]CCN(C)CC)c1ccccc1[O-] ZINC000054109818 384823028 /nfs/dbraw/zinc/82/30/28/384823028.db2.gz LPGSPIVSKOIUPL-CYBMUJFWSA-N 0 3 236.359 2.385 20 10 BECDHN Cc1ccc(O)c(CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000126928925 384845398 /nfs/dbraw/zinc/84/53/98/384845398.db2.gz VBLVBNZSPSJVAL-TXEJJXNPSA-N 0 3 235.327 2.310 20 10 BECDHN CC[C@H](C[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000290958959 385070096 /nfs/dbraw/zinc/07/00/96/385070096.db2.gz RJOKJNLHBQWRMN-LLVKDONJSA-N 0 3 227.279 2.046 20 10 BECDHN Cc1ccc(O)c(CN2CCO[C@@H](C3CC3)C2)c1 ZINC000368411169 385318028 /nfs/dbraw/zinc/31/80/28/385318028.db2.gz NBJNQJBPVNXGCL-OAHLLOKOSA-N 0 3 247.338 2.311 20 10 BECDHN CCOc1ccc([O-])c(C[N@H+](C)C2CC2)c1 ZINC000153791338 385282188 /nfs/dbraw/zinc/28/21/88/385282188.db2.gz GORSHKZTUXFJRV-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CCOc1ccc([O-])c(C[N@@H+](C)C2CC2)c1 ZINC000153791338 385282196 /nfs/dbraw/zinc/28/21/96/385282196.db2.gz GORSHKZTUXFJRV-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CO[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000191210539 385293392 /nfs/dbraw/zinc/29/33/92/385293392.db2.gz ZDJRDIJZURWGSH-DTWKUNHWSA-N 0 3 227.279 2.217 20 10 BECDHN CC[C@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168827290 385389958 /nfs/dbraw/zinc/38/99/58/385389958.db2.gz FVUDWJLSAANHLJ-ONGXEEELSA-N 0 3 241.306 2.343 20 10 BECDHN CC[C@H]([NH2+]CCCCO)c1ccccc1[O-] ZINC000193279283 385390315 /nfs/dbraw/zinc/39/03/15/385390315.db2.gz HOPTYMMIADGEQZ-LBPRGKRZSA-N 0 3 223.316 2.205 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCCO)c1 ZINC000193278652 385390673 /nfs/dbraw/zinc/39/06/73/385390673.db2.gz NMUKKJHNOCMZMN-LLVKDONJSA-N 0 3 223.316 2.124 20 10 BECDHN CC[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000229966620 385694594 /nfs/dbraw/zinc/69/45/94/385694594.db2.gz WXLXODWVXDLBMN-QWRGUYRKSA-N 0 3 223.316 2.122 20 10 BECDHN CC[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000229964521 385694745 /nfs/dbraw/zinc/69/47/45/385694745.db2.gz XMKBIQPBYDDCBZ-MNOVXSKESA-N 0 3 223.316 2.122 20 10 BECDHN C[C@@H](O)C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183524910 385768489 /nfs/dbraw/zinc/76/84/89/385768489.db2.gz HZYIJRFAMFYFRF-UTUOFQBUSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H]([NH2+]CC(C)(C)CCO)c1ccccc1[O-] ZINC000183538576 385769251 /nfs/dbraw/zinc/76/92/51/385769251.db2.gz PPLJGQREBWKGTD-NSHDSACASA-N 0 3 237.343 2.451 20 10 BECDHN CCC1(O)CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000271875385 385856273 /nfs/dbraw/zinc/85/62/73/385856273.db2.gz SYZUGOUPNAJDMZ-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@H](CO)[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000284977860 385891149 /nfs/dbraw/zinc/89/11/49/385891149.db2.gz GADVTXDYBLIZOE-RYUDHWBXSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@H](C)O)c([O-])c1C ZINC000273581499 386014628 /nfs/dbraw/zinc/01/46/28/386014628.db2.gz MSEGSLJJLZLUOP-CMPLNLGQSA-N 0 3 237.343 2.431 20 10 BECDHN CO[C@H](C)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296278330 386158685 /nfs/dbraw/zinc/15/86/85/386158685.db2.gz COGUNQKTMZGUKH-UMNHJUIQSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297155594 386227954 /nfs/dbraw/zinc/22/79/54/386227954.db2.gz COGUNQKTMZGUKH-FOGDFJRCSA-N 0 3 235.327 2.393 20 10 BECDHN CC(C)[N@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000291250599 386529027 /nfs/dbraw/zinc/52/90/27/386529027.db2.gz MASUMHSGBUTTQV-ZDUSSCGKSA-N 0 3 235.327 2.392 20 10 BECDHN CC(C)[N@@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000291250599 386529031 /nfs/dbraw/zinc/52/90/31/386529031.db2.gz MASUMHSGBUTTQV-ZDUSSCGKSA-N 0 3 235.327 2.392 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](C)[C@@H]2CCOC2)c1 ZINC000135215502 386490698 /nfs/dbraw/zinc/49/06/98/386490698.db2.gz BTNHTHVFINDMIB-VXGBXAGGSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H]2CCOC2)c1 ZINC000135215477 386491120 /nfs/dbraw/zinc/49/11/20/386491120.db2.gz BTNHTHVFINDMIB-NWDGAFQWSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCOC[C@H]2C)c1 ZINC000277665327 386456265 /nfs/dbraw/zinc/45/62/65/386456265.db2.gz FURICZMGTMVKNF-DGCLKSJQSA-N 0 3 235.327 2.215 20 10 BECDHN C[C@H](O)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000228037940 386535187 /nfs/dbraw/zinc/53/51/87/386535187.db2.gz YLYDQAZEGDTDPW-UWVGGRQHSA-N 0 3 241.306 2.343 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000278559638 386550092 /nfs/dbraw/zinc/55/00/92/386550092.db2.gz OZTIGFDMUFHJSJ-GMXVVIOVSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@@H](CO)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000228799496 386618213 /nfs/dbraw/zinc/61/82/13/386618213.db2.gz CHDNFGLDWVACGY-VXGBXAGGSA-N 0 3 237.343 2.451 20 10 BECDHN C[C@@H]([NH2+]CCC[C@H](C)CO)c1ccccc1[O-] ZINC000228799507 386618407 /nfs/dbraw/zinc/61/84/07/386618407.db2.gz CHDNFGLDWVACGY-NWDGAFQWSA-N 0 3 237.343 2.451 20 10 BECDHN CC[C@H](CO)[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000295209183 386692729 /nfs/dbraw/zinc/69/27/29/386692729.db2.gz ZUKDENBNNMUVEL-CYBMUJFWSA-N 0 3 237.343 2.212 20 10 BECDHN CC[C@H](CO)[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000295209183 386692733 /nfs/dbraw/zinc/69/27/33/386692733.db2.gz ZUKDENBNNMUVEL-CYBMUJFWSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CCO)c([O-])c1 ZINC000293251759 386794786 /nfs/dbraw/zinc/79/47/86/386794786.db2.gz BPIMSNDITZRJDV-NEPJUHHUSA-N 0 3 237.343 2.431 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)CO)c1ccc(C)cc1[O-] ZINC000280036702 386771914 /nfs/dbraw/zinc/77/19/14/386771914.db2.gz IMJAAHLJJKNOCI-AAEUAGOBSA-N 0 3 237.343 2.370 20 10 BECDHN COC[C@H]1CCN1Cc1ccc(N(C)C)c(C)c1 ZINC000293473918 386822975 /nfs/dbraw/zinc/82/29/75/386822975.db2.gz FDTCEYCBEASIPQ-CQSZACIVSA-N 0 3 248.370 2.282 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CO)c([O-])c1 ZINC000284256333 387169425 /nfs/dbraw/zinc/16/94/25/387169425.db2.gz VZAXDJXLTBLKGA-MNOVXSKESA-N 0 3 223.316 2.040 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1 ZINC000230316103 387261456 /nfs/dbraw/zinc/26/14/56/387261456.db2.gz PWFQNVAPYKHMRD-HIFRSBDPSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CC23CC(C2)CO3)cc1C ZINC000527790766 387718043 /nfs/dbraw/zinc/71/80/43/387718043.db2.gz VQAXXYDJYNPZFW-UHFFFAOYSA-N 0 3 247.338 2.278 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C2(C)CCOCC2)c1 ZINC000131174869 387783181 /nfs/dbraw/zinc/78/31/81/387783181.db2.gz XEEKIEIPLMWGGH-UHFFFAOYSA-N 0 3 235.327 2.359 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC13CC(C1)CO3)CC2 ZINC000527982348 387799626 /nfs/dbraw/zinc/79/96/26/387799626.db2.gz SYYVCXRZZXOZGK-JYHUIVOISA-N 0 3 245.322 2.148 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC13CC(C1)CO3)CC2 ZINC000527982351 387799772 /nfs/dbraw/zinc/79/97/72/387799772.db2.gz SYYVCXRZZXOZGK-WBFHCKIUSA-N 0 3 245.322 2.148 20 10 BECDHN CO[C@@H](CNCc1ccc2c(c1)CCO2)C1CC1 ZINC000293140991 387877348 /nfs/dbraw/zinc/87/73/48/387877348.db2.gz UFVXYCODZRKYMT-HNNXBMFYSA-N 0 3 247.338 2.136 20 10 BECDHN CN1CCC([NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000295962467 388416171 /nfs/dbraw/zinc/41/61/71/388416171.db2.gz MFYJFXUJVHMAGN-CYBMUJFWSA-N 0 3 246.354 2.063 20 10 BECDHN CO[C@@H](C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000272892458 389035287 /nfs/dbraw/zinc/03/52/87/389035287.db2.gz SXWDMUXXIPAGKP-WDEREUQCSA-N 0 3 223.316 2.468 20 10 BECDHN CO[C@H](C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272892454 389036058 /nfs/dbraw/zinc/03/60/58/389036058.db2.gz SXWDMUXXIPAGKP-MNOVXSKESA-N 0 3 223.316 2.468 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)c1[O-] ZINC000224929146 134352309 /nfs/dbraw/zinc/35/23/09/134352309.db2.gz HHSHYSCFQPLPJZ-HIFRSBDPSA-N 0 3 247.338 2.358 20 10 BECDHN CC(C)OCCNCc1ccc(N(C)C)cc1 ZINC000130940635 167240915 /nfs/dbraw/zinc/24/09/15/167240915.db2.gz BXCDRQMTCRIGMQ-UHFFFAOYSA-N 0 3 236.359 2.267 20 10 BECDHN CC(C)[C@@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297622508 167392526 /nfs/dbraw/zinc/39/25/26/167392526.db2.gz IZGOUEPSEOJONB-OLZOCXBDSA-N 0 3 249.354 2.376 20 10 BECDHN CCOCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000019962913 170382894 /nfs/dbraw/zinc/38/28/94/170382894.db2.gz KTKIOXLQWPGIJH-LLVKDONJSA-N 0 3 223.316 2.469 20 10 BECDHN CC[C@H](CCO)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000094949625 171424813 /nfs/dbraw/zinc/42/48/13/171424813.db2.gz GWWWHBNXMCGNOS-GFCCVEGCSA-N 0 3 237.343 2.199 20 10 BECDHN CC[C@H]([NH2+]CC[C@@H](C)O)c1ccccc1[O-] ZINC000082993791 171523133 /nfs/dbraw/zinc/52/31/33/171523133.db2.gz UIRHOQXSLNICJG-PWSUYJOCSA-N 0 3 223.316 2.204 20 10 BECDHN CN1CCC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296192909 173056763 /nfs/dbraw/zinc/05/67/63/173056763.db2.gz YQTCABPYSXINQR-STQMWFEESA-N 0 3 246.354 2.063 20 10 BECDHN COCC[N@@H+](Cc1ccccc1[O-])CC(C)C ZINC000132642954 174299387 /nfs/dbraw/zinc/29/93/87/174299387.db2.gz WXJXUAPIAYZUGD-UHFFFAOYSA-N 0 3 237.343 2.497 20 10 BECDHN COCC[N@H+](Cc1ccccc1[O-])CC(C)C ZINC000132642954 174299390 /nfs/dbraw/zinc/29/93/90/174299390.db2.gz WXJXUAPIAYZUGD-UHFFFAOYSA-N 0 3 237.343 2.497 20 10 BECDHN COCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000019881680 174340021 /nfs/dbraw/zinc/34/00/21/174340021.db2.gz HKEFEGHTOQIHHR-QWRGUYRKSA-N 0 3 235.327 2.485 20 10 BECDHN COc1ccc([O-])c(C[N@H+](C)CC(C)C)c1 ZINC000132527553 175156984 /nfs/dbraw/zinc/15/69/84/175156984.db2.gz GDZVLILZJUGDDC-UHFFFAOYSA-N 0 3 223.316 2.489 20 10 BECDHN COc1ccc([O-])c(C[N@@H+](C)CC(C)C)c1 ZINC000132527553 175156986 /nfs/dbraw/zinc/15/69/86/175156986.db2.gz GDZVLILZJUGDDC-UHFFFAOYSA-N 0 3 223.316 2.489 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000211605078 175157240 /nfs/dbraw/zinc/15/72/40/175157240.db2.gz VPCKCIGYYXIMHN-PHIMTYICSA-N 0 3 235.327 2.489 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](C)C2)c1 ZINC000211605078 175157242 /nfs/dbraw/zinc/15/72/42/175157242.db2.gz VPCKCIGYYXIMHN-PHIMTYICSA-N 0 3 235.327 2.489 20 10 BECDHN COc1ccc([O-])c(C[NH+]2C[C@@H](C)[C@H](C)C2)c1 ZINC000211605236 175157564 /nfs/dbraw/zinc/15/75/64/175157564.db2.gz VPCKCIGYYXIMHN-GHMZBOCLSA-N 0 3 235.327 2.489 20 10 BECDHN COc1ccc([O-])c(C[NH2+]C2(C)CCC2)c1 ZINC000162982274 175158123 /nfs/dbraw/zinc/15/81/23/175158123.db2.gz SYJYAUJSRAYVSW-UHFFFAOYSA-N 0 3 221.300 2.433 20 10 BECDHN COc1ccc(O)c(CNCc2cccn2C)c1 ZINC000119271583 175158530 /nfs/dbraw/zinc/15/85/30/175158530.db2.gz JNEXJTOENGSVHJ-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN COc1ccc([O-])c(C[NH2+]Cc2cccn2C)c1 ZINC000119271583 175158531 /nfs/dbraw/zinc/15/85/31/175158531.db2.gz JNEXJTOENGSVHJ-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@H]2CC2(C)C)c1 ZINC000045116524 175158547 /nfs/dbraw/zinc/15/85/47/175158547.db2.gz JBVGFBPBFQWVKD-LBPRGKRZSA-N 0 3 221.300 2.289 20 10 BECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2C[C@@H]2C)c1 ZINC000162519293 175159185 /nfs/dbraw/zinc/15/91/85/175159185.db2.gz GGMHGNJOIFORPV-VHSXEESVSA-N 0 3 221.300 2.146 20 10 BECDHN COc1ccc([O-])c(C[NH2+]CC(C)C)c1 ZINC000020085906 175159394 /nfs/dbraw/zinc/15/93/94/175159394.db2.gz JSCZXSBYQYFMSM-UHFFFAOYSA-N 0 3 209.289 2.146 20 10 BECDHN COc1cccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1[O-] ZINC000136401841 175264448 /nfs/dbraw/zinc/26/44/48/175264448.db2.gz ZPLDTFQPITUYDT-ONGXEEELSA-N 0 3 221.300 2.146 20 10 BECDHN C[C@@H]([NH2+]CCOCC(F)F)c1ccccc1[O-] ZINC000189831642 175881877 /nfs/dbraw/zinc/88/18/77/175881877.db2.gz NLLQRQYXDQUBRS-SECBINFHSA-N 0 3 245.269 2.325 20 10 BECDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCCO1 ZINC000180064037 176301122 /nfs/dbraw/zinc/30/11/22/176301122.db2.gz UNDXYICXCHROEC-SNVBAGLBSA-N 0 3 239.290 2.142 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCCO1 ZINC000180064037 176301124 /nfs/dbraw/zinc/30/11/24/176301124.db2.gz UNDXYICXCHROEC-SNVBAGLBSA-N 0 3 239.290 2.142 20 10 BECDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000132752577 176306920 /nfs/dbraw/zinc/30/69/20/176306920.db2.gz ZLYRARXNDQHOJF-PHIMTYICSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000132752577 176306922 /nfs/dbraw/zinc/30/69/22/176306922.db2.gz ZLYRARXNDQHOJF-PHIMTYICSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@H]([NH2+][C@H]1CCCOC1)c1ccccc1[O-] ZINC000071011605 176920498 /nfs/dbraw/zinc/92/04/98/176920498.db2.gz WPKVOXZYNHAIAX-QWRGUYRKSA-N 0 3 221.300 2.222 20 10 BECDHN C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183524922 177000003 /nfs/dbraw/zinc/00/00/03/177000003.db2.gz HZYIJRFAMFYFRF-SRVKXCTJSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H]1C[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584718 177382259 /nfs/dbraw/zinc/38/22/59/177382259.db2.gz ZIWBMXSUBXSYBN-IUCAKERBSA-N 0 3 209.264 2.277 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+]CC1CC=CC1)OCO2 ZINC000527751171 323677662 /nfs/dbraw/zinc/67/76/62/323677662.db2.gz RPIJDUIQFBVQNV-UHFFFAOYSA-N 0 3 247.294 2.177 20 10 BECDHN CCO[C@@]1(C)C[C@H]1NCc1ccc2c(c1)CCO2 ZINC000527783706 323691053 /nfs/dbraw/zinc/69/10/53/323691053.db2.gz QTRRBFIMLJEXRB-CABCVRRESA-N 0 3 247.338 2.279 20 10 BECDHN COc1ccc(N2CCN(CC3CC3)CC2)cc1 ZINC000041297973 536697033 /nfs/dbraw/zinc/69/70/33/536697033.db2.gz WKYCVHOTSPQIIR-UHFFFAOYSA-N 0 3 246.354 2.227 20 10 BECDHN CC[C@H]([NH2+][C@H](C)CNC)c1ccc(F)cc1[O-] ZINC000854232810 588781564 /nfs/dbraw/zinc/78/15/64/588781564.db2.gz UUOAHQMGJLLVSJ-SKDRFNHKSA-N 0 3 240.322 2.180 20 10 BECDHN CC[C@H](N[C@H](C)C[NH2+]C)c1ccc(F)cc1[O-] ZINC000854232810 588781565 /nfs/dbraw/zinc/78/15/65/588781565.db2.gz UUOAHQMGJLLVSJ-SKDRFNHKSA-N 0 3 240.322 2.180 20 10 BECDHN CSCCNCc1ccc(N(C)C)c(F)c1 ZINC000113313340 588831200 /nfs/dbraw/zinc/83/12/00/588831200.db2.gz UKWDWPGAIGAKIH-UHFFFAOYSA-N 0 3 242.363 2.344 20 10 BECDHN COCC[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000840955547 583183581 /nfs/dbraw/zinc/18/35/81/583183581.db2.gz SOJSNIOKHZGSOD-NSHDSACASA-N 0 3 223.316 2.154 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000840979789 583214883 /nfs/dbraw/zinc/21/48/83/583214883.db2.gz URXWDUIMWHCAOK-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1 ZINC000840979789 583214884 /nfs/dbraw/zinc/21/48/84/583214884.db2.gz URXWDUIMWHCAOK-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@@]1(O)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877440490 583314455 /nfs/dbraw/zinc/31/44/55/583314455.db2.gz ABUYPBIJPXSUBZ-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@@]1(O)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877440490 583314456 /nfs/dbraw/zinc/31/44/56/583314456.db2.gz ABUYPBIJPXSUBZ-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN COc1cc(C)cc(C[NH2+]C[C@H]2C[C@H]2C)c1[O-] ZINC000894175547 583326557 /nfs/dbraw/zinc/32/65/57/583326557.db2.gz IXXONWGOSLKDLF-GHMZBOCLSA-N 0 3 235.327 2.455 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@H](C)O2)c([O-])c1 ZINC000877578859 583336974 /nfs/dbraw/zinc/33/69/74/583336974.db2.gz NZDRQTGJHUZCCL-WCQYABFASA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000877631632 583339727 /nfs/dbraw/zinc/33/97/27/583339727.db2.gz LCDIXDCNZVAPBJ-ZDUSSCGKSA-N 0 3 249.354 2.199 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([O-])c1 ZINC000877615555 583340113 /nfs/dbraw/zinc/34/01/13/583340113.db2.gz SSKNMLFLUNNWMU-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c([O-])c1 ZINC000877615555 583340116 /nfs/dbraw/zinc/34/01/16/583340116.db2.gz SSKNMLFLUNNWMU-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1cc(N(C)C)ccc1CNCc1c[nH]cn1 ZINC000894257103 583395290 /nfs/dbraw/zinc/39/52/90/583395290.db2.gz YZVMIPJSLUFFNP-UHFFFAOYSA-N 0 3 244.342 2.074 20 10 BECDHN Cc1cc(N(C)C)ccc1CNCc1cnc[nH]1 ZINC000894257103 583395292 /nfs/dbraw/zinc/39/52/92/583395292.db2.gz YZVMIPJSLUFFNP-UHFFFAOYSA-N 0 3 244.342 2.074 20 10 BECDHN COc1ccc(C[NH2+][C@H]2CC23CC3)c([O-])c1OC ZINC000895009377 583567042 /nfs/dbraw/zinc/56/70/42/583567042.db2.gz WHQRHEVQTMLRIQ-NSHDSACASA-N 0 3 249.310 2.052 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCCCC[C@@H]2CO)c1 ZINC000895151888 583607000 /nfs/dbraw/zinc/60/70/00/583607000.db2.gz MEDQSAJBROOADR-CQSZACIVSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCCCC[C@@H]2CO)c1 ZINC000895151888 583607002 /nfs/dbraw/zinc/60/70/02/583607002.db2.gz MEDQSAJBROOADR-CQSZACIVSA-N 0 3 249.354 2.438 20 10 BECDHN CCc1cccc(CNC[C@@H]2CC(C)=NO2)c1O ZINC000895299842 583641805 /nfs/dbraw/zinc/64/18/05/583641805.db2.gz GQZUAUVMNXEZOX-ZDUSSCGKSA-N 0 3 248.326 2.209 20 10 BECDHN CCc1cccc(C[NH2+]C[C@@H]2CC(C)=NO2)c1[O-] ZINC000895299842 583641807 /nfs/dbraw/zinc/64/18/07/583641807.db2.gz GQZUAUVMNXEZOX-ZDUSSCGKSA-N 0 3 248.326 2.209 20 10 BECDHN CC1(C)CC[C@H](CO)[N@H+](Cc2ccccc2[O-])C1 ZINC000895925629 583747693 /nfs/dbraw/zinc/74/76/93/583747693.db2.gz HAJDPRHRWCAEPQ-CYBMUJFWSA-N 0 3 249.354 2.375 20 10 BECDHN CC1(C)CC[C@H](CO)[N@@H+](Cc2ccccc2[O-])C1 ZINC000895925629 583747694 /nfs/dbraw/zinc/74/76/94/583747694.db2.gz HAJDPRHRWCAEPQ-CYBMUJFWSA-N 0 3 249.354 2.375 20 10 BECDHN CCc1cccc(C[NH+]2CC(COC)C2)c1[O-] ZINC000895974283 583757002 /nfs/dbraw/zinc/75/70/02/583757002.db2.gz DMUSLUHELDMGEA-UHFFFAOYSA-N 0 3 235.327 2.033 20 10 BECDHN Cc1ccc(C[N@@H+]2CCO[C@H](C)CC2)c([O-])c1 ZINC000896579056 583814296 /nfs/dbraw/zinc/81/42/96/583814296.db2.gz MQBHDLFPCPZEKF-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CCO[C@H](C)CC2)c([O-])c1 ZINC000896579056 583814299 /nfs/dbraw/zinc/81/42/99/583814299.db2.gz MQBHDLFPCPZEKF-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN CN1CC[C@@H]([NH2+]Cc2ccccc2[O-])CC1(C)C ZINC000858120837 588933930 /nfs/dbraw/zinc/93/39/30/588933930.db2.gz NRAVGWLUTDOJSZ-CYBMUJFWSA-N 0 3 248.370 2.355 20 10 BECDHN CN1CC[C@H]([NH2+]Cc2ccccc2[O-])CC1(C)C ZINC000858120838 588934099 /nfs/dbraw/zinc/93/40/99/588934099.db2.gz NRAVGWLUTDOJSZ-ZDUSSCGKSA-N 0 3 248.370 2.355 20 10 BECDHN COc1ccc(O)c(CNC/C=C/Cl)c1 ZINC000898433561 584135078 /nfs/dbraw/zinc/13/50/78/584135078.db2.gz OANGIVJENXQMPY-GORDUTHDSA-N 0 3 227.691 2.243 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(N)CC2)c([O-])c1 ZINC000902406140 584573775 /nfs/dbraw/zinc/57/37/75/584573775.db2.gz LWPJYFCOFFTMGZ-NSHDSACASA-N 0 3 234.343 2.151 20 10 BECDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@H]1CO ZINC000902628755 584646429 /nfs/dbraw/zinc/64/64/29/584646429.db2.gz DMWJLOJRKHASMP-LBPRGKRZSA-N 0 3 243.306 2.112 20 10 BECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@H]1CO ZINC000902628755 584646430 /nfs/dbraw/zinc/64/64/30/584646430.db2.gz DMWJLOJRKHASMP-LBPRGKRZSA-N 0 3 243.306 2.112 20 10 BECDHN C[C@@H]([NH2+]CC[C@H](O)C1CC1)c1ccccc1[O-] ZINC000903409493 584759425 /nfs/dbraw/zinc/75/94/25/584759425.db2.gz XTMJCGWVEKHXEU-MFKMUULPSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@@H](COC)[NH2+]Cc1c(C)cccc1[O-] ZINC000877056316 584889180 /nfs/dbraw/zinc/88/91/80/584889180.db2.gz JPJLBSSSVDZREL-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN CC[C@@H]([NH2+][C@H](C)CN)c1ccc(C)cc1[O-] ZINC000817965910 584993158 /nfs/dbraw/zinc/99/31/58/584993158.db2.gz FCGAOZLJSFONCJ-ZYHUDNBSSA-N 0 3 222.332 2.089 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc(C)cc1[O-] ZINC000817980067 584994581 /nfs/dbraw/zinc/99/45/81/584994581.db2.gz RACLEPHSZDDBHW-WCQYABFASA-N 0 3 236.359 2.479 20 10 BECDHN Cc1cccc(C[NH+]2CC3(C2)CCCOC3)c1[O-] ZINC000839137277 585094447 /nfs/dbraw/zinc/09/44/47/585094447.db2.gz CFTSUAVOMZFFMG-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc(CN2CC3(C2)CCCOC3)c1O ZINC000839137277 585094448 /nfs/dbraw/zinc/09/44/48/585094448.db2.gz CFTSUAVOMZFFMG-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Oc1ccccc1CN1CC(C(F)F)C1 ZINC000839140229 585094460 /nfs/dbraw/zinc/09/44/60/585094460.db2.gz CSQAPROINAUXTQ-UHFFFAOYSA-N 0 3 213.227 2.089 20 10 BECDHN COCC1(C)CN(Cc2cc(C)c(C)cc2O)C1 ZINC000839142781 585094882 /nfs/dbraw/zinc/09/48/82/585094882.db2.gz AKKSWXVACYUAGS-UHFFFAOYSA-N 0 3 249.354 2.477 20 10 BECDHN CCN(C)c1ccc(CN2CCC(O)CC2)cc1 ZINC000741753297 585117496 /nfs/dbraw/zinc/11/74/96/585117496.db2.gz SDKAAODCBXADBX-UHFFFAOYSA-N 0 3 248.370 2.099 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCN(C)C2)cc1C ZINC000742367826 585124938 /nfs/dbraw/zinc/12/49/38/585124938.db2.gz KRKUOHKAFNODOL-CQSZACIVSA-N 0 3 248.370 2.193 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@@](C)(O)C2CC2)cc1C ZINC000742370883 585125097 /nfs/dbraw/zinc/12/50/97/585125097.db2.gz TWKANDYDQARLHP-OAHLLOKOSA-N 0 3 249.354 2.260 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H](C)C(C)(C)O)cc1C ZINC000742369375 585125129 /nfs/dbraw/zinc/12/51/29/585125129.db2.gz CBHBHGBNXZRMFT-LLVKDONJSA-N 0 3 237.343 2.258 20 10 BECDHN C[C@@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756780825 585322764 /nfs/dbraw/zinc/32/27/64/585322764.db2.gz VQRTZBFJSCXPPW-NQMVMOMDSA-N 0 3 239.290 2.050 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCC2)c([O-])c1C ZINC000756767348 585322836 /nfs/dbraw/zinc/32/28/36/585322836.db2.gz GJQQVKAHTQYMIW-CYBMUJFWSA-N 0 3 248.370 2.365 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCC2)c([O-])c1C ZINC000756767350 585323031 /nfs/dbraw/zinc/32/30/31/585323031.db2.gz GJQQVKAHTQYMIW-ZDUSSCGKSA-N 0 3 248.370 2.365 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C ZINC000769389223 585555249 /nfs/dbraw/zinc/55/52/49/585555249.db2.gz MCQNZZYBRWWKJE-JTQLQIEISA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C ZINC000769389223 585555250 /nfs/dbraw/zinc/55/52/50/585555250.db2.gz MCQNZZYBRWWKJE-JTQLQIEISA-N 0 3 221.300 2.385 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000770508700 585575396 /nfs/dbraw/zinc/57/53/96/585575396.db2.gz FHFHNSCVSQJSCA-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000770508700 585575397 /nfs/dbraw/zinc/57/53/97/585575397.db2.gz FHFHNSCVSQJSCA-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C)C1 ZINC000770511076 585575422 /nfs/dbraw/zinc/57/54/22/585575422.db2.gz YSSXHCJUQCQGNF-CQSZACIVSA-N 0 3 248.370 2.308 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C)C1 ZINC000770511076 585575423 /nfs/dbraw/zinc/57/54/23/585575423.db2.gz YSSXHCJUQCQGNF-CQSZACIVSA-N 0 3 248.370 2.308 20 10 BECDHN C[C@H]([NH2+]C[C@H](O)c1ccco1)c1ccccc1[O-] ZINC000775136490 585672630 /nfs/dbraw/zinc/67/26/30/585672630.db2.gz KGWDRIPVNDWZIP-GWCFXTLKSA-N 0 3 247.294 2.369 20 10 BECDHN Cc1cccc(C[NH+]2CCC(CCO)CC2)c1[O-] ZINC000775647877 585682459 /nfs/dbraw/zinc/68/24/59/585682459.db2.gz GBZVDXQQIRMKSK-UHFFFAOYSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000775985818 585688693 /nfs/dbraw/zinc/68/86/93/585688693.db2.gz OLOBGHLCSWHDES-STQMWFEESA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)c1[O-] ZINC000775985818 585688694 /nfs/dbraw/zinc/68/86/94/585688694.db2.gz OLOBGHLCSWHDES-STQMWFEESA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CC[C@@H](CO)CC2)c1[O-] ZINC000776251215 585693889 /nfs/dbraw/zinc/69/38/89/585693889.db2.gz REKWEKVVVLDNED-XBXGTLAGSA-N 0 3 249.354 2.341 20 10 BECDHN CCN1C[C@@H](C)[N@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000779017780 585743983 /nfs/dbraw/zinc/74/39/83/585743983.db2.gz BPIOVKMFFPRZPP-QWHCGFSZSA-N 0 3 248.370 2.307 20 10 BECDHN CCN1C[C@@H](C)[N@@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000779017780 585743984 /nfs/dbraw/zinc/74/39/84/585743984.db2.gz BPIOVKMFFPRZPP-QWHCGFSZSA-N 0 3 248.370 2.307 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000779028879 585744450 /nfs/dbraw/zinc/74/44/50/585744450.db2.gz LJZXWTOEQHWFJT-ZIAGYGMSSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000779028879 585744451 /nfs/dbraw/zinc/74/44/51/585744451.db2.gz LJZXWTOEQHWFJT-ZIAGYGMSSA-N 0 3 247.338 2.393 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@]2(C)CO)cc1C ZINC000789558000 585944051 /nfs/dbraw/zinc/94/40/51/585944051.db2.gz SBJUZERTFLIRJZ-HNNXBMFYSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@]2(C)CO)cc1C ZINC000789558000 585944052 /nfs/dbraw/zinc/94/40/52/585944052.db2.gz SBJUZERTFLIRJZ-HNNXBMFYSA-N 0 3 249.354 2.356 20 10 BECDHN CCOc1ccc(C[NH+]2CC(C)C2)c([O-])c1 ZINC000802650807 586307489 /nfs/dbraw/zinc/30/74/89/586307489.db2.gz BCSNDUXSMPHJLM-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN Cc1cc([O-])c(C[NH+]2CC(C)C2)cc1C ZINC000802651244 586307495 /nfs/dbraw/zinc/30/74/95/586307495.db2.gz KWLYHYCBJDIGOS-UHFFFAOYSA-N 0 3 205.301 2.461 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C2(C)C)c1 ZINC000812778123 586584049 /nfs/dbraw/zinc/58/40/49/586584049.db2.gz CCECIIGKZIULOI-ZDUSSCGKSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](O)C2(C)C)c1 ZINC000812778123 586584050 /nfs/dbraw/zinc/58/40/50/586584050.db2.gz CCECIIGKZIULOI-ZDUSSCGKSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC(C)(C)O)c([O-])c1 ZINC000815578719 586688058 /nfs/dbraw/zinc/68/80/58/586688058.db2.gz USFISWLZGQTJCX-LLVKDONJSA-N 0 3 237.343 2.431 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648720 586751149 /nfs/dbraw/zinc/75/11/49/586751149.db2.gz OAZCILCFXPCRTH-UWVGGRQHSA-N 0 3 221.300 2.241 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@@H]2C)c1 ZINC000816648720 586751151 /nfs/dbraw/zinc/75/11/51/586751151.db2.gz OAZCILCFXPCRTH-UWVGGRQHSA-N 0 3 221.300 2.241 20 10 BECDHN COc1ccc(O)c(CN2C[C@H](C)[C@@H]2C)c1 ZINC000816648720 586751152 /nfs/dbraw/zinc/75/11/52/586751152.db2.gz OAZCILCFXPCRTH-UWVGGRQHSA-N 0 3 221.300 2.241 20 10 BECDHN CC[C@H]1CN(C)CC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000816660762 586753552 /nfs/dbraw/zinc/75/35/52/586753552.db2.gz OKQFGORJYQWFIX-AWEZNQCLSA-N 0 3 248.370 2.227 20 10 BECDHN CC[C@H]1CN(C)CC[N@H+]1Cc1cccc(C)c1[O-] ZINC000816660762 586753553 /nfs/dbraw/zinc/75/35/53/586753553.db2.gz OKQFGORJYQWFIX-AWEZNQCLSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc(C[NH2+]CCCC2(O)CCC2)c1[O-] ZINC000817414402 586801783 /nfs/dbraw/zinc/80/17/83/586801783.db2.gz JIUKWSICORKPMO-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN CC[C@H]([NH2+]CCCN)c1cccc(Cl)c1[O-] ZINC000817938310 586844438 /nfs/dbraw/zinc/84/44/38/586844438.db2.gz IQYSIQKKAJFCSN-NSHDSACASA-N 0 3 242.750 2.435 20 10 BECDHN CC[C@H]([NH2+]CCCN)c1cc(Cl)ccc1[O-] ZINC000817938033 586844644 /nfs/dbraw/zinc/84/46/44/586844644.db2.gz BSAVQIPHPUOTNL-NSHDSACASA-N 0 3 242.750 2.435 20 10 BECDHN CNCC[NH2+][C@H](C)c1ccc2ccccc2c1[O-] ZINC000817951643 586847680 /nfs/dbraw/zinc/84/76/80/586847680.db2.gz IMAOTHAURNDWTH-LLVKDONJSA-N 0 3 244.338 2.415 20 10 BECDHN C[C@H]([NH3+])CCN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817951424 586847850 /nfs/dbraw/zinc/84/78/50/586847850.db2.gz FHDIWAUSZAPEIA-YUMQZZPRSA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@@H](NC1C[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817955984 586849993 /nfs/dbraw/zinc/84/99/93/586849993.db2.gz MYHSPXGGRMDFCJ-LLVKDONJSA-N 0 3 240.734 2.058 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)CN)c1ccc(F)cc1[O-] ZINC000817963021 586852782 /nfs/dbraw/zinc/85/27/82/586852782.db2.gz QHGPLHSMGRJHRC-BXKDBHETSA-N 0 3 240.322 2.167 20 10 BECDHN CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccccc1[O-] ZINC000817961461 586852984 /nfs/dbraw/zinc/85/29/84/586852984.db2.gz ZFJYYOWKHXFKMP-OLZOCXBDSA-N 0 3 234.343 2.170 20 10 BECDHN C[C@H]([NH2+]CC1(N)CCC1)c1ccc(F)cc1[O-] ZINC000817965237 586854119 /nfs/dbraw/zinc/85/41/19/586854119.db2.gz RLYYPVVKDNZYMG-VIFPVBQESA-N 0 3 238.306 2.063 20 10 BECDHN C[C@H]([NH2+]CC1(N)CCC1)c1cc(F)ccc1[O-] ZINC000817965270 586854258 /nfs/dbraw/zinc/85/42/58/586854258.db2.gz SLASFNJJSCWDKU-VIFPVBQESA-N 0 3 238.306 2.063 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1[O-] ZINC000817966003 586855173 /nfs/dbraw/zinc/85/51/73/586855173.db2.gz YTLRAGTYFVQYQW-OLZOCXBDSA-N 0 3 234.343 2.170 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000818237849 586881269 /nfs/dbraw/zinc/88/12/69/586881269.db2.gz BNTWYBSBPRCSMX-JGPRNRPPSA-N 0 3 233.311 2.289 20 10 BECDHN CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(C)cc1[O-] ZINC000818357646 586888958 /nfs/dbraw/zinc/88/89/58/586888958.db2.gz DKCFAJGUIWDLCX-JHJVBQTASA-N 0 3 235.327 2.265 20 10 BECDHN N[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000818614447 586906717 /nfs/dbraw/zinc/90/67/17/586906717.db2.gz AVWUKHZUOVDVOO-JHJVBQTASA-N 0 3 246.354 2.239 20 10 BECDHN COc1cc([O-])c(C[NH2+][C@@H]2CC23CC3)cc1OC ZINC000822497425 587171868 /nfs/dbraw/zinc/17/18/68/587171868.db2.gz DEIROYZADQOFTK-CYBMUJFWSA-N 0 3 249.310 2.052 20 10 BECDHN CN(C)c1ccc(CN2CC3(CC3)C2)cc1 ZINC000824533735 587274685 /nfs/dbraw/zinc/27/46/85/587274685.db2.gz LTDNQBAGQAESFW-UHFFFAOYSA-N 0 3 216.328 2.348 20 10 BECDHN CCc1cccc(CN(C)Cc2cnc[nH]2)c1O ZINC000826770393 587361845 /nfs/dbraw/zinc/36/18/45/587361845.db2.gz XNDVYLKDJYTAFH-UHFFFAOYSA-N 0 3 245.326 2.310 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827506063 587384905 /nfs/dbraw/zinc/38/49/05/587384905.db2.gz BWRWJVHPPFGNRX-GHMZBOCLSA-N 0 3 233.311 2.243 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]3C[C@@H]3C2)c1 ZINC000827506063 587384907 /nfs/dbraw/zinc/38/49/07/587384907.db2.gz BWRWJVHPPFGNRX-GHMZBOCLSA-N 0 3 233.311 2.243 20 10 BECDHN COc1ccc(CNC2([C@@H](C)O)CC2)cc1C ZINC000827579928 587389727 /nfs/dbraw/zinc/38/97/27/587389727.db2.gz LTYFMOMXGJZFPT-LLVKDONJSA-N 0 3 235.327 2.007 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1[O-] ZINC000827700829 587397475 /nfs/dbraw/zinc/39/74/75/587397475.db2.gz XVHNHIJEPBEHMI-WFASDCNBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1[O-] ZINC000827700829 587397477 /nfs/dbraw/zinc/39/74/77/587397477.db2.gz XVHNHIJEPBEHMI-WFASDCNBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1C ZINC000834906629 587770318 /nfs/dbraw/zinc/77/03/18/587770318.db2.gz QVXPPRGLMYCMOZ-UTUOFQBUSA-N 0 3 235.327 2.183 20 10 BECDHN CC[C@H](C)[NH2+]Cc1c([O-])cccc1OC ZINC000835033658 587779325 /nfs/dbraw/zinc/77/93/25/587779325.db2.gz IKTDRYPPFNMJDV-VIFPVBQESA-N 0 3 209.289 2.289 20 10 BECDHN C[C@@H](CO)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835053911 587779607 /nfs/dbraw/zinc/77/96/07/587779607.db2.gz QDZJIGZYAQCPCM-SZZPACECSA-N 0 3 248.370 2.078 20 10 BECDHN CCC1C[NH+](Cc2c([O-])cccc2OC)C1 ZINC000835073624 587780366 /nfs/dbraw/zinc/78/03/66/587780366.db2.gz DKXHOYUCURWBQB-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN CCOc1ccc(CNc2nccn2C)c(O)c1 ZINC000840888048 587927901 /nfs/dbraw/zinc/92/79/01/587927901.db2.gz VUUCAJNGCCLJMS-UHFFFAOYSA-N 0 3 247.298 2.137 20 10 BECDHN Cc1cc(N(C)C)ccc1CN(C)[C@H]1CCOC1 ZINC000840913049 587929842 /nfs/dbraw/zinc/92/98/42/587929842.db2.gz DIKMNSOFZZDGFR-HNNXBMFYSA-N 0 3 248.370 2.282 20 10 BECDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)C(C)C ZINC000840968098 587932310 /nfs/dbraw/zinc/93/23/10/587932310.db2.gz VIWAILWOVGZRLT-OCCSQVGLSA-N 0 3 237.343 2.277 20 10 BECDHN Cc1cc([O-])c(CNCC(C)(C)[NH3+])c(Cl)c1 ZINC000841030867 587934856 /nfs/dbraw/zinc/93/48/56/587934856.db2.gz MQVYLOMELHUQCG-UHFFFAOYSA-N 0 3 242.750 2.181 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](CN)CC(C)C)c1 ZINC000841037922 587937800 /nfs/dbraw/zinc/93/78/00/587937800.db2.gz CWJCNYSNBYNMCN-ZDUSSCGKSA-N 0 3 236.359 2.164 20 10 BECDHN [NH3+]C1(CNCc2c([O-])cccc2Cl)CCC1 ZINC000841052445 587940101 /nfs/dbraw/zinc/94/01/01/587940101.db2.gz WXJWVNPBLSVKOP-UHFFFAOYSA-N 0 3 240.734 2.017 20 10 BECDHN NC1(C[NH2+]Cc2c([O-])cccc2Cl)CCC1 ZINC000841052445 587940103 /nfs/dbraw/zinc/94/01/03/587940103.db2.gz WXJWVNPBLSVKOP-UHFFFAOYSA-N 0 3 240.734 2.017 20 10 BECDHN C[C@@H](NCc1c([O-])ccc(Cl)c1F)[C@H](C)[NH3+] ZINC000841076623 587943486 /nfs/dbraw/zinc/94/34/86/587943486.db2.gz KIKLMZPLUAYGCA-NKWVEPMBSA-N 0 3 246.713 2.010 20 10 BECDHN C[C@@H]([NH2+]Cc1c([O-])ccc(Cl)c1F)[C@H](C)N ZINC000841076623 587943488 /nfs/dbraw/zinc/94/34/88/587943488.db2.gz KIKLMZPLUAYGCA-NKWVEPMBSA-N 0 3 246.713 2.010 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](CN)C(C)(C)C)c1 ZINC000841087412 587945602 /nfs/dbraw/zinc/94/56/02/587945602.db2.gz NOGQOYHVNPWUED-CYBMUJFWSA-N 0 3 236.359 2.164 20 10 BECDHN C[NH2+]CCCN(C)Cc1cccc(Cl)c1[O-] ZINC000841103997 587946525 /nfs/dbraw/zinc/94/65/25/587946525.db2.gz LUNIWIFEBZXSIG-UHFFFAOYSA-N 0 3 242.750 2.087 20 10 BECDHN Cc1cc([O-])c(CN(C)[C@H](C)C[NH3+])c(Cl)c1 ZINC000843053123 588077208 /nfs/dbraw/zinc/07/72/08/588077208.db2.gz YRBHHUWYDJAPRE-SECBINFHSA-N 0 3 242.750 2.133 20 10 BECDHN Cc1cccc(C[NH2+]CCC2(CO)CCC2)c1[O-] ZINC000846104927 588256614 /nfs/dbraw/zinc/25/66/14/588256614.db2.gz MWWSINCNJUJRDB-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN COc1cccc([C@H](C)[NH2+]CC2CC2)c1[O-] ZINC000846139624 588258383 /nfs/dbraw/zinc/25/83/83/588258383.db2.gz YCVNLVAMRXWARS-VIFPVBQESA-N 0 3 221.300 2.461 20 10 BECDHN CCc1cccc(C[NH2+][C@H](CCO)C2CC2)c1[O-] ZINC000848896472 588417491 /nfs/dbraw/zinc/41/74/91/588417491.db2.gz BKQYRHDWDOLCQV-CQSZACIVSA-N 0 3 249.354 2.205 20 10 BECDHN CCc1cccc(C[N@@H+](CC)[C@@H](C)CO)c1[O-] ZINC000848914939 588420055 /nfs/dbraw/zinc/42/00/55/588420055.db2.gz VPPPDYWHEKLMEG-NSHDSACASA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@H+](CC)[C@@H](C)CO)c1[O-] ZINC000848914939 588420056 /nfs/dbraw/zinc/42/00/56/588420056.db2.gz VPPPDYWHEKLMEG-NSHDSACASA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@H+](C[C@H](C)O)C2CC2)c1[O-] ZINC000848929720 588421899 /nfs/dbraw/zinc/42/18/99/588421899.db2.gz ZAARVAUHIJIYNK-NSHDSACASA-N 0 3 249.354 2.300 20 10 BECDHN CCc1cccc(C[N@@H+](C[C@H](C)O)C2CC2)c1[O-] ZINC000848929720 588421901 /nfs/dbraw/zinc/42/19/01/588421901.db2.gz ZAARVAUHIJIYNK-NSHDSACASA-N 0 3 249.354 2.300 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H](CO)C2CCC2)cc1C ZINC000850350094 588537896 /nfs/dbraw/zinc/53/78/96/588537896.db2.gz OGMOLYZQMZJBLT-AWEZNQCLSA-N 0 3 249.354 2.260 20 10 BECDHN CCO[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000850360681 588540523 /nfs/dbraw/zinc/54/05/23/588540523.db2.gz MOSDHJAQJWCLMS-HAQNSBGRSA-N 0 3 221.300 2.049 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000850393165 588543575 /nfs/dbraw/zinc/54/35/75/588543575.db2.gz PPZZACBIMHHVTF-WDAIWFPHSA-N 0 3 233.311 2.289 20 10 BECDHN CC[C@H]([NH2+]C/C=C/CO)c1ccc(C)cc1[O-] ZINC000850507190 588553299 /nfs/dbraw/zinc/55/32/99/588553299.db2.gz DTJPKNCVGVYNMH-IHVVCDCBSA-N 0 3 235.327 2.290 20 10 BECDHN CCN(C)c1ccc([C@@H](C)NC/C=C/CO)cc1 ZINC000850506939 588553353 /nfs/dbraw/zinc/55/33/53/588553353.db2.gz CRQGKVCAQIKKSI-URWSZGRFSA-N 0 3 248.370 2.342 20 10 BECDHN CC[C@H](NC/C=C/CO)c1ccc(N(C)C)cc1 ZINC000850506788 588553526 /nfs/dbraw/zinc/55/35/26/588553526.db2.gz BXGAEYSOJQYAHD-NFAHFFEMSA-N 0 3 248.370 2.342 20 10 BECDHN CC[C@@H](O)C[NH2+][C@@H](C)c1c(C)cc(C)cc1[O-] ZINC000850529121 588557996 /nfs/dbraw/zinc/55/79/96/588557996.db2.gz NNYLMPYHWPXLOQ-NWDGAFQWSA-N 0 3 237.343 2.431 20 10 BECDHN C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)c1ccccc1[O-] ZINC000850546068 588559162 /nfs/dbraw/zinc/55/91/62/588559162.db2.gz JUYGTWNDJKCTLG-GDLCADMTSA-N 0 3 247.338 2.346 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c([O-])c1 ZINC000850579075 588561638 /nfs/dbraw/zinc/56/16/38/588561638.db2.gz SJCCEBCQBHUXFJ-SRVKXCTJSA-N 0 3 235.327 2.183 20 10 BECDHN CN(Cc1ccccn1)Cc1ccccc1O ZINC000109771139 588592192 /nfs/dbraw/zinc/59/21/92/588592192.db2.gz PCNRJOSPAQSUPB-UHFFFAOYSA-N 0 3 228.295 2.419 20 10 BECDHN CC[C@H](C)[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000862388206 589207289 /nfs/dbraw/zinc/20/72/89/589207289.db2.gz XXYQAOVUTXWLAL-JTQLQIEISA-N 0 3 241.306 2.124 20 10 BECDHN CC[C@H](C)[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000862388206 589207290 /nfs/dbraw/zinc/20/72/90/589207290.db2.gz XXYQAOVUTXWLAL-JTQLQIEISA-N 0 3 241.306 2.124 20 10 BECDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862440954 589213075 /nfs/dbraw/zinc/21/30/75/589213075.db2.gz MSGZIQDMGPFBAB-PHIMTYICSA-N 0 3 233.311 2.243 20 10 BECDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862440954 589213076 /nfs/dbraw/zinc/21/30/76/589213076.db2.gz MSGZIQDMGPFBAB-PHIMTYICSA-N 0 3 233.311 2.243 20 10 BECDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccccc1[O-] ZINC000863543346 589296872 /nfs/dbraw/zinc/29/68/72/589296872.db2.gz MWBXFUKVMVFMDQ-WCFLWFBJSA-N 0 3 234.343 2.183 20 10 BECDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCc2cccc([O-])c21 ZINC000863543518 589296970 /nfs/dbraw/zinc/29/69/70/589296970.db2.gz PSENRTGSBBFOSQ-XQQFMLRXSA-N 0 3 246.354 2.110 20 10 BECDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(C)cc1[O-] ZINC000863543327 589297385 /nfs/dbraw/zinc/29/73/85/589297385.db2.gz MLMOGXSCFQYVMV-FPMFFAJLSA-N 0 3 248.370 2.492 20 10 BECDHN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(C)cc1[O-] ZINC000863547704 589298378 /nfs/dbraw/zinc/29/83/78/589298378.db2.gz VVMUINUCGFNXAV-IACUBPJLSA-N 0 3 248.370 2.492 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCC[C@@H]2O)cc1C ZINC000865736503 589459415 /nfs/dbraw/zinc/45/94/15/589459415.db2.gz HLHJSCLPMQPHKJ-STQMWFEESA-N 0 3 235.327 2.012 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c([O-])c1 ZINC000866416323 589491558 /nfs/dbraw/zinc/49/15/58/589491558.db2.gz SBHXIYBMSYBSIJ-RWMBFGLXSA-N 0 3 249.354 2.431 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC1(CO)CCCCC1 ZINC000122874087 589640427 /nfs/dbraw/zinc/64/04/27/589640427.db2.gz GPFKSHYMHOYIML-UHFFFAOYSA-N 0 3 249.354 2.425 20 10 BECDHN CCCOc1ccc(CNC[C@@H](C)O)cc1C ZINC000873006343 589978979 /nfs/dbraw/zinc/97/89/79/589978979.db2.gz FLUVAQDQXMKANS-GFCCVEGCSA-N 0 3 237.343 2.254 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H]2CCCN(C)C2)c1[O-] ZINC000124811736 590090588 /nfs/dbraw/zinc/09/05/88/590090588.db2.gz NWARMTVKTUWSAM-ZDUSSCGKSA-N 0 3 248.370 2.132 20 10 BECDHN COC[C@@H]([NH2+]Cc1cccc(C)c1[O-])C(C)C ZINC000124825749 590091547 /nfs/dbraw/zinc/09/15/47/590091547.db2.gz SIIIFMHHHVGYEC-CYBMUJFWSA-N 0 3 237.343 2.461 20 10 BECDHN CC[C@H](CCO)C[NH2+]Cc1cccc(C)c1[O-] ZINC000124859477 590094493 /nfs/dbraw/zinc/09/44/93/590094493.db2.gz DVKUJZXLSXPHRS-GFCCVEGCSA-N 0 3 237.343 2.199 20 10 BECDHN CC[N@H+](CCOC)Cc1ccc(C)cc1[O-] ZINC000876568497 590216765 /nfs/dbraw/zinc/21/67/65/590216765.db2.gz INNRKMZEOQLUIC-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CC[N@@H+](CCOC)Cc1ccc(C)cc1[O-] ZINC000876568497 590216766 /nfs/dbraw/zinc/21/67/66/590216766.db2.gz INNRKMZEOQLUIC-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CC[N@H+](CCOC)Cc1c(C)cccc1[O-] ZINC000876568458 590217229 /nfs/dbraw/zinc/21/72/29/590217229.db2.gz IBMUJCWPTSSBRL-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CC[N@@H+](CCOC)Cc1c(C)cccc1[O-] ZINC000876568458 590217230 /nfs/dbraw/zinc/21/72/30/590217230.db2.gz IBMUJCWPTSSBRL-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCO[C@@H](C)C2)c([O-])c1 ZINC000876684428 590230054 /nfs/dbraw/zinc/23/00/54/590230054.db2.gz MXUKSPWPRKENLT-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CCCO[C@@H](C)C2)c([O-])c1 ZINC000876684428 590230055 /nfs/dbraw/zinc/23/00/55/590230055.db2.gz MXUKSPWPRKENLT-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN CCN1CC[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000876715765 590232723 /nfs/dbraw/zinc/23/27/23/590232723.db2.gz SKJVQPZWNCKKLH-ZDUSSCGKSA-N 0 3 248.370 2.227 20 10 BECDHN CCN1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1C ZINC000876715765 590232725 /nfs/dbraw/zinc/23/27/25/590232725.db2.gz SKJVQPZWNCKKLH-ZDUSSCGKSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)CCn1cccn1 ZINC000876732098 590234033 /nfs/dbraw/zinc/23/40/33/590234033.db2.gz WOSOHAHKUQWKPX-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)CCn1cccn1 ZINC000876732098 590234031 /nfs/dbraw/zinc/23/40/31/590234031.db2.gz WOSOHAHKUQWKPX-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1ccc(C[N@H+](CCCCO)C2CC2)c([O-])c1 ZINC000876731962 590234517 /nfs/dbraw/zinc/23/45/17/590234517.db2.gz QCLWXPPCICAGBX-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@@H+](CCCCO)C2CC2)c([O-])c1 ZINC000876731962 590234518 /nfs/dbraw/zinc/23/45/18/590234518.db2.gz QCLWXPPCICAGBX-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c([O-])c1 ZINC000876748795 590237429 /nfs/dbraw/zinc/23/74/29/590237429.db2.gz FRMUARPXZOWQFC-OCCSQVGLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c([O-])c1 ZINC000876748795 590237431 /nfs/dbraw/zinc/23/74/31/590237431.db2.gz FRMUARPXZOWQFC-OCCSQVGLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC000876752604 590238272 /nfs/dbraw/zinc/23/82/72/590238272.db2.gz UKESNVPJZJOWAP-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2CCOC[C@@H](C)C2)c([O-])c1 ZINC000876752604 590238274 /nfs/dbraw/zinc/23/82/74/590238274.db2.gz UKESNVPJZJOWAP-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000876802918 590243840 /nfs/dbraw/zinc/24/38/40/590243840.db2.gz BMSYNVIUQWYUAD-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000876802918 590243841 /nfs/dbraw/zinc/24/38/41/590243841.db2.gz BMSYNVIUQWYUAD-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[NH2+]CCc2ccccn2)c([O-])c1 ZINC000876884158 590253796 /nfs/dbraw/zinc/25/37/96/590253796.db2.gz ALMMYBJYEJXKRR-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](C)Cn2cccn2)c([O-])c1 ZINC000876926862 590257926 /nfs/dbraw/zinc/25/79/26/590257926.db2.gz IVSFMDZBNYMULZ-LBPRGKRZSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1C[C@H]1C ZINC000876931197 590258412 /nfs/dbraw/zinc/25/84/12/590258412.db2.gz LCDOOYXYWSMZCH-GHMZBOCLSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)CC(C)C ZINC000876987889 590265357 /nfs/dbraw/zinc/26/53/57/590265357.db2.gz MEZGCFYONNXCGU-GFCCVEGCSA-N 0 3 237.343 2.197 20 10 BECDHN CO[C@H](C)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876997121 590267028 /nfs/dbraw/zinc/26/70/28/590267028.db2.gz ODYFKCLSLLPGPB-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN CC[C@@H](C)[C@H](O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877024621 590270984 /nfs/dbraw/zinc/27/09/84/590270984.db2.gz JLWSHCVSTWUROI-QMTHXVAHSA-N 0 3 237.343 2.197 20 10 BECDHN CC[C@H](C)[C@@H](O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877024619 590271039 /nfs/dbraw/zinc/27/10/39/590271039.db2.gz JLWSHCVSTWUROI-HZMBPMFUSA-N 0 3 237.343 2.197 20 10 BECDHN CCC[C@](C)(CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877034842 590272171 /nfs/dbraw/zinc/27/21/71/590272171.db2.gz BTVJKMYCWSPAEV-CQSZACIVSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@@H](O)CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877055433 590275243 /nfs/dbraw/zinc/27/52/43/590275243.db2.gz SOFMQTNBQJNBOI-CYBMUJFWSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@H](COC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877056675 590275543 /nfs/dbraw/zinc/27/55/43/590275543.db2.gz MNEONNUCPRBRIF-GFCCVEGCSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc(C[NH2+][C@H](CCO)C(C)C)c([O-])c1 ZINC000877064136 590276569 /nfs/dbraw/zinc/27/65/69/590276569.db2.gz NOXNLDTVGOLSFX-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H](CCO)C(C)C ZINC000877062884 590276741 /nfs/dbraw/zinc/27/67/41/590276741.db2.gz DSINMOAZPHRPIT-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)c([O-])c1 ZINC000877070920 590277568 /nfs/dbraw/zinc/27/75/68/590277568.db2.gz YUMXOBSNQCCHHA-JSGCOSHPSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1ccc(C[NH2+]CCc2ccncc2)c([O-])c1 ZINC000877089943 590281120 /nfs/dbraw/zinc/28/11/20/590281120.db2.gz NICLOIOFQHXBPK-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1cc(CNCc2c(C)cccc2O)ncn1 ZINC000877124239 590289448 /nfs/dbraw/zinc/28/94/48/590289448.db2.gz LNNRXWHHASSUNZ-UHFFFAOYSA-N 0 3 243.310 2.089 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCC[C@@H](C)CO ZINC000877128216 590289822 /nfs/dbraw/zinc/28/98/22/590289822.db2.gz QZWOTGLWHIGKHC-LLVKDONJSA-N 0 3 237.343 2.199 20 10 BECDHN COCC1=CC[N@H+](Cc2ccc(C)cc2[O-])CC1 ZINC000877416717 590324876 /nfs/dbraw/zinc/32/48/76/590324876.db2.gz OUZWNEVMEXWZLR-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN COCC1=CC[N@@H+](Cc2ccc(C)cc2[O-])CC1 ZINC000877416717 590324877 /nfs/dbraw/zinc/32/48/77/590324877.db2.gz OUZWNEVMEXWZLR-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN Cc1ccc(C[NH2+]CCOC(F)(F)F)c([O-])c1 ZINC000877469788 590334892 /nfs/dbraw/zinc/33/48/92/590334892.db2.gz ZEYCIRKQJVTXLN-UHFFFAOYSA-N 0 3 249.232 2.327 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000877479692 590336609 /nfs/dbraw/zinc/33/66/09/590336609.db2.gz VWSXCWLGIZIBCR-AAEUAGOBSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc(C[NH+]2CCC3(CCO3)CC2)c([O-])c1 ZINC000877501088 590341355 /nfs/dbraw/zinc/34/13/55/590341355.db2.gz HMBFZGMRABRZRR-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN CO[C@@H](C)C[N@H+](C)Cc1c(C)cccc1[O-] ZINC000877522486 590344778 /nfs/dbraw/zinc/34/47/78/590344778.db2.gz FYYGPTIOBJMLPV-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN CO[C@@H](C)C[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000877522486 590344780 /nfs/dbraw/zinc/34/47/80/590344780.db2.gz FYYGPTIOBJMLPV-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC[C@H]1C ZINC000877520206 590345550 /nfs/dbraw/zinc/34/55/50/590345550.db2.gz PWYWILQXIWKAQZ-OLZOCXBDSA-N 0 3 249.354 2.463 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000877518735 590345685 /nfs/dbraw/zinc/34/56/85/590345685.db2.gz GGLNBTCBZXHSHI-CHWSQXEVSA-N 0 3 249.354 2.463 20 10 BECDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877540665 590350812 /nfs/dbraw/zinc/35/08/12/590350812.db2.gz GFYYHWHHHFTTOO-GHMZBOCLSA-N 0 3 223.316 2.214 20 10 BECDHN CC[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])OC ZINC000877542095 590352248 /nfs/dbraw/zinc/35/22/48/590352248.db2.gz VDADFELQBROQOM-LBPRGKRZSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC000877554713 590357028 /nfs/dbraw/zinc/35/70/28/590357028.db2.gz LUVLYGBETRWVIG-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](CO)CC2)c([O-])c1 ZINC000877554713 590357030 /nfs/dbraw/zinc/35/70/30/590357030.db2.gz LUVLYGBETRWVIG-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)CCCO ZINC000877560545 590359094 /nfs/dbraw/zinc/35/90/94/590359094.db2.gz USWYNNLRFSHIEQ-LLVKDONJSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)CC(C)(C)CO ZINC000877560903 590359988 /nfs/dbraw/zinc/35/99/88/590359988.db2.gz CZKVDJHIZRINFC-UHFFFAOYSA-N 0 3 237.343 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)CC(C)(C)CO ZINC000877560903 590359990 /nfs/dbraw/zinc/35/99/90/590359990.db2.gz CZKVDJHIZRINFC-UHFFFAOYSA-N 0 3 237.343 2.151 20 10 BECDHN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877561390 590360244 /nfs/dbraw/zinc/36/02/44/590360244.db2.gz LWMYCIMVRNTZAJ-UONOGXRCSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877561390 590360246 /nfs/dbraw/zinc/36/02/46/590360246.db2.gz LWMYCIMVRNTZAJ-UONOGXRCSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@H](C)[N@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000877573425 590363259 /nfs/dbraw/zinc/36/32/59/590363259.db2.gz PIPNRXFGNIMVHU-LBPRGKRZSA-N 0 3 237.343 2.293 20 10 BECDHN CC[C@H](C)[N@@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000877573425 590363261 /nfs/dbraw/zinc/36/32/61/590363261.db2.gz PIPNRXFGNIMVHU-LBPRGKRZSA-N 0 3 237.343 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](CCCO)C2)c([O-])c1 ZINC000877576047 590364050 /nfs/dbraw/zinc/36/40/50/590364050.db2.gz DJRCXBAXGTYHBU-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](CCCO)C2)c([O-])c1 ZINC000877576047 590364054 /nfs/dbraw/zinc/36/40/54/590364054.db2.gz DJRCXBAXGTYHBU-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(CN2CC(C(F)F)C2)c(O)c1 ZINC000877580433 590364815 /nfs/dbraw/zinc/36/48/15/590364815.db2.gz KVUYSJAQVWJXSB-UHFFFAOYSA-N 0 3 227.254 2.398 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c([O-])c1 ZINC000877591607 590369336 /nfs/dbraw/zinc/36/93/36/590369336.db2.gz HCARICPRXCIELE-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c([O-])c1 ZINC000877591607 590369339 /nfs/dbraw/zinc/36/93/39/590369339.db2.gz HCARICPRXCIELE-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN COCC1(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877618057 590375998 /nfs/dbraw/zinc/37/59/98/590375998.db2.gz FGSDFFDNRXPCAD-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000877632297 590377573 /nfs/dbraw/zinc/37/75/73/590377573.db2.gz USSRELKYSAQEAA-UONOGXRCSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)CC1(C)COC1 ZINC000877652116 590384861 /nfs/dbraw/zinc/38/48/61/590384861.db2.gz BBTGYPUFWDAVJS-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)CC1(C)COC1 ZINC000877652116 590384864 /nfs/dbraw/zinc/38/48/64/590384864.db2.gz BBTGYPUFWDAVJS-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCC[C@@H]2CCO2)c1 ZINC000877652152 590385558 /nfs/dbraw/zinc/38/55/58/590385558.db2.gz COCFFJVEQVNRLS-CYBMUJFWSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)c([O-])c1 ZINC000877657546 590386276 /nfs/dbraw/zinc/38/62/76/590386276.db2.gz FJQIETJQEMHAOP-DZGCQCFKSA-N 0 3 247.338 2.358 20 10 BECDHN CO[C@@H](C[N@@H+]1Cc2cccc([O-])c2C1)C1CC1 ZINC000877702901 590395771 /nfs/dbraw/zinc/39/57/71/590395771.db2.gz JJKWAQBQZPVWQD-AWEZNQCLSA-N 0 3 233.311 2.133 20 10 BECDHN CO[C@@H](C[N@H+]1Cc2cccc([O-])c2C1)C1CC1 ZINC000877702901 590395774 /nfs/dbraw/zinc/39/57/74/590395774.db2.gz JJKWAQBQZPVWQD-AWEZNQCLSA-N 0 3 233.311 2.133 20 10 BECDHN C[C@@H](NCc1ccc(CO)o1)c1ccccc1O ZINC000877756539 590417802 /nfs/dbraw/zinc/41/78/02/590417802.db2.gz QGMIZSCKFHSQGP-SNVBAGLBSA-N 0 3 247.294 2.328 20 10 BECDHN CC(C)(O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000877797343 590425331 /nfs/dbraw/zinc/42/53/31/590425331.db2.gz UFYGXRWXGHHTEO-ZDUSSCGKSA-N 0 3 249.354 2.375 20 10 BECDHN CC(C)(O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000877797343 590425334 /nfs/dbraw/zinc/42/53/34/590425334.db2.gz UFYGXRWXGHHTEO-ZDUSSCGKSA-N 0 3 249.354 2.375 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c([O-])c1 ZINC000877837212 590432732 /nfs/dbraw/zinc/43/27/32/590432732.db2.gz VTMZGXIXNLTKHH-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c([O-])c1 ZINC000877837212 590432734 /nfs/dbraw/zinc/43/27/34/590432734.db2.gz VTMZGXIXNLTKHH-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN CS[C@@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000128060232 590884629 /nfs/dbraw/zinc/88/46/29/590884629.db2.gz KPLSGFYOVCMJII-VIFPVBQESA-N 0 3 211.330 2.233 20 10 BECDHN C[C@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000131098666 591552032 /nfs/dbraw/zinc/55/20/32/591552032.db2.gz OYJKGUDQCPDEGJ-GXSJLCMTSA-N 0 3 249.310 2.399 20 10 BECDHN C[C@@H]1CC[C@@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000131098463 591552173 /nfs/dbraw/zinc/55/21/73/591552173.db2.gz OYJKGUDQCPDEGJ-MWLCHTKSSA-N 0 3 249.310 2.399 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000132665437 591727991 /nfs/dbraw/zinc/72/79/91/591727991.db2.gz RUNWUJUKDWBTSH-SNVBAGLBSA-N 0 3 221.300 2.243 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](C)C2)c1 ZINC000132665437 591727994 /nfs/dbraw/zinc/72/79/94/591727994.db2.gz RUNWUJUKDWBTSH-SNVBAGLBSA-N 0 3 221.300 2.243 20 10 BECDHN [O-]c1ccccc1C[NH2+]Cc1cccc(O)c1 ZINC000134233444 591905170 /nfs/dbraw/zinc/90/51/70/591905170.db2.gz ZCEBIYFZUMZODQ-UHFFFAOYSA-N 0 3 229.279 2.388 20 10 BECDHN COCC(C)(C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000135061562 591980470 /nfs/dbraw/zinc/98/04/70/591980470.db2.gz FUINFMBDSVTMAV-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CCN2CCCC[C@@H]12 ZINC000217655182 592148569 /nfs/dbraw/zinc/14/85/69/592148569.db2.gz AWHVUWOKNHGRFW-KBPBESRZSA-N 0 3 246.354 2.109 20 10 BECDHN C[C@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccccc1[O-] ZINC000886310283 592205021 /nfs/dbraw/zinc/20/50/21/592205021.db2.gz IKPMUSSJLXFZMN-YWPYICTPSA-N 0 3 247.338 2.469 20 10 BECDHN C[C@@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1[O-] ZINC000313031860 634438949 /nfs/dbraw/zinc/43/89/49/634438949.db2.gz ZCNCJANKLNEUHZ-ZWNOBZJWSA-N 0 3 235.327 2.468 20 10 BECDHN CCOC(=O)/C=C/C[NH2+][C@H](C)c1ccccc1[O-] ZINC000931553681 634586694 /nfs/dbraw/zinc/58/66/94/634586694.db2.gz GIVMPACJTBAQLI-OALRPVAKSA-N 0 3 249.310 2.162 20 10 BECDHN CC(C)N(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000054110975 635392461 /nfs/dbraw/zinc/39/24/61/635392461.db2.gz CSKRGNNLDFIRFV-GFCCVEGCSA-N 0 3 236.359 2.383 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1ccccc1[O-] ZINC000235223441 632553206 /nfs/dbraw/zinc/55/32/06/632553206.db2.gz STVLIJJLGWFINX-IJLUTSLNSA-N 0 3 235.327 2.468 20 10 BECDHN CC[C@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310250068 632711020 /nfs/dbraw/zinc/71/10/20/632711020.db2.gz JZYIDGUVNLOZOC-NEPJUHHUSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H](C[C@H](C)O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310472313 632745827 /nfs/dbraw/zinc/74/58/27/632745827.db2.gz IXRGELFZODVFES-JFGNBEQYSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@@H]([NH2+]CC1(O)CCC1)c1cc(F)ccc1[O-] ZINC000168763636 633148323 /nfs/dbraw/zinc/14/83/23/633148323.db2.gz SHYDASOZHQNVMU-SECBINFHSA-N 0 3 239.290 2.097 20 10 BECDHN CC[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168795635 633151397 /nfs/dbraw/zinc/15/13/97/633151397.db2.gz YHHRWYPPCYMSFO-ONGXEEELSA-N 0 3 241.306 2.343 20 10 BECDHN CCOc1ccc(C[NH2+][C@@H](C)CF)c([O-])c1 ZINC000309850323 633844776 /nfs/dbraw/zinc/84/47/76/633844776.db2.gz XKHIWLITYBNJBA-VIFPVBQESA-N 0 3 227.279 2.239 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1ccccc1[O-] ZINC000309511047 633940326 /nfs/dbraw/zinc/94/03/26/633940326.db2.gz XHOVETKKLXUUAS-ZJUUUORDSA-N 0 3 223.316 2.202 20 10 BECDHN CC(C)[C@@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311112399 639662962 /nfs/dbraw/zinc/66/29/62/639662962.db2.gz WYRVNFBPIQLAHK-WFASDCNBSA-N 0 3 249.354 2.376 20 10 BECDHN CCOC(=O)/C=C/C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000931556979 640272339 /nfs/dbraw/zinc/27/23/39/640272339.db2.gz GIVMPACJTBAQLI-LAHYYIKRSA-N 0 3 249.310 2.162 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCSC1 ZINC000226613113 640779846 /nfs/dbraw/zinc/77/98/46/640779846.db2.gz FGYLLPRLKKUPLE-SNVBAGLBSA-N 0 3 227.304 2.126 20 10 BECDHN C[C@H](NCc1c[nH]cn1)c1ccc(N(C)C)cc1 ZINC000088750661 641386830 /nfs/dbraw/zinc/38/68/30/641386830.db2.gz VSLRIPQVJLHLMZ-NSHDSACASA-N 0 3 244.342 2.327 20 10 BECDHN C[C@H](NCc1cnc[nH]1)c1ccc(N(C)C)cc1 ZINC000088750661 641386833 /nfs/dbraw/zinc/38/68/33/641386833.db2.gz VSLRIPQVJLHLMZ-NSHDSACASA-N 0 3 244.342 2.327 20 10 BECDHN C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179576947 642730853 /nfs/dbraw/zinc/73/08/53/642730853.db2.gz QUXXBCZVROKWKP-WCQYABFASA-N 0 3 235.327 2.128 20 10 BECDHN C[C@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179576947 642730858 /nfs/dbraw/zinc/73/08/58/642730858.db2.gz QUXXBCZVROKWKP-WCQYABFASA-N 0 3 235.327 2.128 20 10 BECDHN C[C@H]([NH2+]CC1(CO)CCC1)c1ccccc1[O-] ZINC000184531223 643215967 /nfs/dbraw/zinc/21/59/67/643215967.db2.gz PWDIXASCGLXMNI-NSHDSACASA-N 0 3 235.327 2.205 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000186067527 643434657 /nfs/dbraw/zinc/43/46/57/643434657.db2.gz NCQHKSFJWFAQEI-WXHSDQCUSA-N 0 3 235.327 2.265 20 10 BECDHN CC[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1[O-] ZINC000186280432 643673658 /nfs/dbraw/zinc/67/36/58/643673658.db2.gz VMQNPHJMSUEDAC-OBJOEFQTSA-N 0 3 235.327 2.346 20 10 BECDHN CC1CCC(O)(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000087044601 644476056 /nfs/dbraw/zinc/47/60/56/644476056.db2.gz KEIQSZWFNFWJKT-UHFFFAOYSA-N 0 3 249.354 2.423 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1[O-] ZINC000087784627 644503025 /nfs/dbraw/zinc/50/30/25/644503025.db2.gz VUXJNRZMXWZVNM-PWSUYJOCSA-N 0 3 221.300 2.222 20 10 BECDHN C[C@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756448384 644628051 /nfs/dbraw/zinc/62/80/51/644628051.db2.gz BWEMGJSXVXUYCO-QXFUBDJGSA-N 0 3 239.290 2.050 20 10 BECDHN CC[C@H](C)[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000248385033 644677564 /nfs/dbraw/zinc/67/75/64/644677564.db2.gz GYCQFIWHSZBRRN-WDMOLILDSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1ccccc1[O-] ZINC000252745068 644896841 /nfs/dbraw/zinc/89/68/41/644896841.db2.gz AFUCLBNMYZUPNF-GARJFASQSA-N 0 3 223.316 2.202 20 10 BECDHN C[C@@H](CO)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000846057033 645396841 /nfs/dbraw/zinc/39/68/41/645396841.db2.gz CSLUBLHMKVVPCH-LBPRGKRZSA-N 0 3 249.354 2.233 20 10 BECDHN CC[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccccc1[O-] ZINC000927148379 645572933 /nfs/dbraw/zinc/57/29/33/645572933.db2.gz RDNQDNQMYNGAHF-NQBHXWOUSA-N 0 3 235.327 2.204 20 10 BECDHN COC(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000382398692 711601402 /nfs/dbraw/zinc/60/14/02/711601402.db2.gz KACSXYYTPIHNEO-NSHDSACASA-N 0 3 235.327 2.394 20 10 BECDHN C[C@@H]([NH2+]CCC1(CO)CC1)c1ccccc1[O-] ZINC000395878617 711698598 /nfs/dbraw/zinc/69/85/98/711698598.db2.gz NDKUBKZXTGGRRQ-LLVKDONJSA-N 0 3 235.327 2.205 20 10 BECDHN CC[C@H](C[C@@H](C)O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000716853643 712578487 /nfs/dbraw/zinc/57/84/87/712578487.db2.gz QDXXRDNPBKIGEY-BXKDBHETSA-N 0 3 241.306 2.170 20 10 BECDHN C[C@H]([NH2+]CCc1cnccn1)c1ccccc1[O-] ZINC000389967101 711100666 /nfs/dbraw/zinc/10/06/66/711100666.db2.gz QRLTUJJIMFOFSZ-NSHDSACASA-N 0 3 243.310 2.076 20 10 BECDHN CC[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000393493987 711160077 /nfs/dbraw/zinc/16/00/77/711160077.db2.gz VABDHUHJDGVNOP-ZDUSSCGKSA-N 0 3 239.290 2.190 20 10 BECDHN CCOC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000393827194 711177468 /nfs/dbraw/zinc/17/74/68/711177468.db2.gz FKRSLIQVTPRHQR-CMPLNLGQSA-N 0 3 235.327 2.394 20 10 BECDHN CC(C)[C@H](CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000394065820 711183139 /nfs/dbraw/zinc/18/31/39/711183139.db2.gz ZRSMTJSYXMJBBB-QWHCGFSZSA-N 0 3 249.354 2.234 20 10 BECDHN CC(C)[C@H](CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000394065822 711183724 /nfs/dbraw/zinc/18/37/24/711183724.db2.gz ZRSMTJSYXMJBBB-STQMWFEESA-N 0 3 249.354 2.234 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC2(N(C)C)CC2)c([O-])c1 ZINC000397976560 711398033 /nfs/dbraw/zinc/39/80/33/711398033.db2.gz PDQYITPNBWVTDM-LBPRGKRZSA-N 0 3 248.370 2.445 20 10 BECDHN C[C@@H]([NH2+]CC1(N(C)C)CC1)c1ccccc1[O-] ZINC000397990048 711399924 /nfs/dbraw/zinc/39/99/24/711399924.db2.gz NYFLXATZZMGLQL-LLVKDONJSA-N 0 3 234.343 2.137 20 10 BECDHN C[C@@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])O1 ZINC000398101174 711400474 /nfs/dbraw/zinc/40/04/74/711400474.db2.gz XFQYKMHOKYEXDP-SKDRFNHKSA-N 0 3 239.290 2.188 20 10 BECDHN C[C@@H]([NH2+]CCOC(F)F)c1ccccc1[O-] ZINC000398163748 711402895 /nfs/dbraw/zinc/40/28/95/711402895.db2.gz CZRQOKFKFBBHDZ-MRVPVSSYSA-N 0 3 231.242 2.282 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(CCO)CC1)CC2 ZINC000381023235 710596435 /nfs/dbraw/zinc/59/64/35/710596435.db2.gz PUADAALJXSUKBB-GFCCVEGCSA-N 0 3 247.338 2.132 20 10 BECDHN C[C@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000386582336 711032822 /nfs/dbraw/zinc/03/28/22/711032822.db2.gz AHOYXCYSYXKCLS-WFASDCNBSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1[O-] ZINC000397132573 711377633 /nfs/dbraw/zinc/37/76/33/711377633.db2.gz WXLKLJRNMKUQHK-SMDDNHRTSA-N 0 3 235.327 2.469 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397734183 711390387 /nfs/dbraw/zinc/39/03/87/711390387.db2.gz RPQKCMGCFKSONR-ZSBIGDGJSA-N 0 3 203.285 2.280 20 10 BECDHN Cc1csc(CNCCc2ccc(N)cc2)n1 ZINC000049539145 711448770 /nfs/dbraw/zinc/44/87/70/711448770.db2.gz MLNDGRIVILHXEX-UHFFFAOYSA-N 0 3 247.367 2.366 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCc1cccnc1 ZINC000037717685 711480987 /nfs/dbraw/zinc/48/09/87/711480987.db2.gz RZUZZPFVRSEEQG-UHFFFAOYSA-N 0 3 228.295 2.120 20 10 BECDHN C[C@H]([NH2+]CCOCCF)c1cc(F)ccc1[O-] ZINC000702653828 712058710 /nfs/dbraw/zinc/05/87/10/712058710.db2.gz IWIMAPINLFNWFZ-VIFPVBQESA-N 0 3 245.269 2.168 20 10 BECDHN C[C@@H]1CC[C@@H](C)N1CC(=O)Nc1ccc(N)cc1 ZINC000706291396 712144042 /nfs/dbraw/zinc/14/40/42/712144042.db2.gz UZTHFLRSXYSUDT-GHMZBOCLSA-N 0 3 247.342 2.080 20 10 BECDHN CO[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000708711644 712197691 /nfs/dbraw/zinc/19/76/91/712197691.db2.gz QHWCMJQBCKUIQG-UHTWSYAYSA-N 0 3 247.338 2.394 20 10 BECDHN CC(C)[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000709019189 712206182 /nfs/dbraw/zinc/20/61/82/712206182.db2.gz GXJYEBXZNFJUKE-CQSZACIVSA-N 0 3 235.327 2.249 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)c([O-])c1 ZINC000712588799 712435440 /nfs/dbraw/zinc/43/54/40/712435440.db2.gz YLFXSQYQXWUZEQ-NEPJUHHUSA-N 0 3 234.343 2.055 20 10 BECDHN CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000712528454 712441070 /nfs/dbraw/zinc/44/10/70/712441070.db2.gz JEXIKLYRJIHKGI-STQMWFEESA-N 0 3 248.370 2.445 20 10 BECDHN CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000712528453 712441082 /nfs/dbraw/zinc/44/10/82/712441082.db2.gz JEXIKLYRJIHKGI-QWHCGFSZSA-N 0 3 248.370 2.445 20 10 BECDHN CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000712528450 712441219 /nfs/dbraw/zinc/44/12/19/712441219.db2.gz JEXIKLYRJIHKGI-CHWSQXEVSA-N 0 3 248.370 2.445 20 10 BECDHN CCN1CC[C@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000712561568 712446044 /nfs/dbraw/zinc/44/60/44/712446044.db2.gz CZBVVZGBDGADGH-RYUDHWBXSA-N 0 3 234.343 2.137 20 10 BECDHN CO[C@H]1C[C@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000714707010 712496552 /nfs/dbraw/zinc/49/65/52/712496552.db2.gz QHWCMJQBCKUIQG-RAIGVLPGSA-N 0 3 247.338 2.394 20 10 BECDHN CO[C@H]1C[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000714731327 712496736 /nfs/dbraw/zinc/49/67/36/712496736.db2.gz YDUHMMGKLADTIL-IJLUTSLNSA-N 0 3 235.327 2.468 20 10 BECDHN CO[C@H]1C[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000714731329 712496868 /nfs/dbraw/zinc/49/68/68/712496868.db2.gz YDUHMMGKLADTIL-SRVKXCTJSA-N 0 3 235.327 2.468 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC000715476030 712520712 /nfs/dbraw/zinc/52/07/12/712520712.db2.gz ZTAWBPIGAPZWFW-UKRRQHHQSA-N 0 3 247.338 2.439 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCC1CCOCC1 ZINC000379891828 712621008 /nfs/dbraw/zinc/62/10/08/712621008.db2.gz AZEPCBNWCNLXJL-UHFFFAOYSA-N 0 3 235.327 2.299 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)C1CCC1)CC2 ZINC000717617516 712662682 /nfs/dbraw/zinc/66/26/82/712662682.db2.gz ZSVPGEGCCYPXSB-QWHCGFSZSA-N 0 3 247.338 2.130 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H]2C)c([O-])c1 ZINC000719558688 712809273 /nfs/dbraw/zinc/80/92/73/712809273.db2.gz LXZAOCOSKDSEOT-SCRDCRAPSA-N 0 3 248.370 2.444 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1 ZINC000720865121 712871147 /nfs/dbraw/zinc/87/11/47/712871147.db2.gz NALIZMQJYBCNRP-WHOFXGATSA-N 0 3 247.338 2.439 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000720865124 712871419 /nfs/dbraw/zinc/87/14/19/712871419.db2.gz NALIZMQJYBCNRP-ZLDLUXBVSA-N 0 3 247.338 2.439 20 10 BECDHN CC[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000720995357 712886392 /nfs/dbraw/zinc/88/63/92/712886392.db2.gz QYHAXELNEHLPAN-NTZNESFSSA-N 0 3 235.327 2.204 20 10 BECDHN CO[C@H](C)C1C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC001140954789 960759687 /nfs/dbraw/zinc/75/96/87/960759687.db2.gz ZESIDAIQHBRHKD-LLVKDONJSA-N 0 3 235.327 2.167 20 10 BECDHN [O-]c1ccccc1C[NH2+]C/C=C/C1CC1 ZINC000382316423 1167098997 /nfs/dbraw/zinc/09/89/97/1167098997.db2.gz RQFXAXVQIVYWJD-ONEGZZNKSA-N 0 3 203.285 2.448 20 10 BECDHN CCC[C@@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001252789015 983885867 /nfs/dbraw/zinc/88/58/67/983885867.db2.gz MHYKCTRCTNMHQT-CYBMUJFWSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[C@@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001252789015 983885870 /nfs/dbraw/zinc/88/58/70/983885870.db2.gz MHYKCTRCTNMHQT-CYBMUJFWSA-N 0 3 237.343 2.375 20 10 BECDHN COCC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000383832780 1169249089 /nfs/dbraw/zinc/24/90/89/1169249089.db2.gz JDOWTWAVYNOUEW-CMPLNLGQSA-N 0 3 235.327 2.394 20 10 BECDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCCOCC1)CC2 ZINC001170831132 971949329 /nfs/dbraw/zinc/94/93/29/971949329.db2.gz MQMQYTBHWACYQD-ZDUSSCGKSA-N 0 3 247.338 2.319 20 10 BECDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCCOCC1)CC2 ZINC001170831132 971949335 /nfs/dbraw/zinc/94/93/35/971949335.db2.gz MQMQYTBHWACYQD-ZDUSSCGKSA-N 0 3 247.338 2.319 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000402134047 957057584 /nfs/dbraw/zinc/05/75/84/957057584.db2.gz IBSXDOKOMGCSLT-KKZNHRDASA-N 0 3 239.290 2.359 20 10 BECDHN C[C@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000402134049 957058815 /nfs/dbraw/zinc/05/88/15/957058815.db2.gz IBSXDOKOMGCSLT-WCABBAIRSA-N 0 3 239.290 2.359 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001140948098 960124094 /nfs/dbraw/zinc/12/40/94/960124094.db2.gz SPSAMHXSCNGCAZ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)CC2)c([O-])c1 ZINC001140948098 960124102 /nfs/dbraw/zinc/12/41/02/960124102.db2.gz SPSAMHXSCNGCAZ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001140947813 960745863 /nfs/dbraw/zinc/74/58/63/960745863.db2.gz GQOZJUXHOHGXPJ-TZMCWYRMSA-N 0 3 233.311 2.064 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001140947813 960745882 /nfs/dbraw/zinc/74/58/82/960745882.db2.gz GQOZJUXHOHGXPJ-TZMCWYRMSA-N 0 3 233.311 2.064 20 10 BECDHN Cc1ccc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000060942085 965308262 /nfs/dbraw/zinc/30/82/62/965308262.db2.gz WQLAEOSXUBFRGW-UHFFFAOYSA-N 0 3 228.295 2.385 20 10 BECDHN Oc1ccccc1CN1CCc2ncccc2C1 ZINC001203556162 966691328 /nfs/dbraw/zinc/69/13/28/966691328.db2.gz LOOLFNMYLJYAQY-UHFFFAOYSA-N 0 3 240.306 2.346 20 10 BECDHN COc1cccc(CN2CCC[C@@H]2CF)c1O ZINC001203601583 966701361 /nfs/dbraw/zinc/70/13/61/966701361.db2.gz BJFFXPFQXXVLEM-LLVKDONJSA-N 0 3 239.290 2.335 20 10 BECDHN COc1ccc(C[NH+]2CC3CC(C3)C2)c([O-])c1 ZINC001203634802 966715107 /nfs/dbraw/zinc/71/51/07/966715107.db2.gz WEXJNUGXRCJRLK-UHFFFAOYSA-N 0 3 233.311 2.243 20 10 BECDHN CN(C)c1ccc(CN2CC[C@]23CCOC3)cc1 ZINC001203937434 966825197 /nfs/dbraw/zinc/82/51/97/966825197.db2.gz QONJTCWBJRFLAZ-OAHLLOKOSA-N 0 3 246.354 2.117 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001204274684 966955897 /nfs/dbraw/zinc/95/58/97/966955897.db2.gz FWZLVXVMQVRDSP-JBLDHEPKSA-N 0 3 237.274 2.030 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001204274684 966955901 /nfs/dbraw/zinc/95/59/01/966955901.db2.gz FWZLVXVMQVRDSP-JBLDHEPKSA-N 0 3 237.274 2.030 20 10 BECDHN [O-]c1cc(O)ccc1C[NH+]1CCC(CF)CC1 ZINC001204278264 966956927 /nfs/dbraw/zinc/95/69/27/966956927.db2.gz CGHCIKRLCKGWTN-UHFFFAOYSA-N 0 3 239.290 2.279 20 10 BECDHN C[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])C2(CC2)C1 ZINC001204279625 966960181 /nfs/dbraw/zinc/96/01/81/966960181.db2.gz CWCWMOZVWAKBDY-JTQLQIEISA-N 0 3 233.311 2.472 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])C2(CC2)C1 ZINC001204279625 966960188 /nfs/dbraw/zinc/96/01/88/966960188.db2.gz CWCWMOZVWAKBDY-JTQLQIEISA-N 0 3 233.311 2.472 20 10 BECDHN COc1cc(CN2CCC[C@H]2C)cc(O)c1O ZINC001204340293 966973222 /nfs/dbraw/zinc/97/32/22/966973222.db2.gz KTMBLSIUEPKKTA-SECBINFHSA-N 0 3 237.299 2.091 20 10 BECDHN CCN(Cc1[nH]cnc1C)Cc1ccccc1O ZINC001204590138 967081236 /nfs/dbraw/zinc/08/12/36/967081236.db2.gz CQQFLYHTTRFKCA-UHFFFAOYSA-N 0 3 245.326 2.446 20 10 BECDHN CCCC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC001252093749 968572729 /nfs/dbraw/zinc/57/27/29/968572729.db2.gz JPLKZVOJVDXKJY-CYBMUJFWSA-N 0 3 237.343 2.375 20 10 BECDHN CCCC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC001252093749 968572738 /nfs/dbraw/zinc/57/27/38/968572738.db2.gz JPLKZVOJVDXKJY-CYBMUJFWSA-N 0 3 237.343 2.375 20 10 BECDHN COCCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209219839 969409529 /nfs/dbraw/zinc/40/95/29/969409529.db2.gz NVIBWRCVNBRHPT-UHFFFAOYSA-N 0 3 235.327 2.177 20 10 BECDHN COCCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209219839 969409536 /nfs/dbraw/zinc/40/95/36/969409536.db2.gz NVIBWRCVNBRHPT-UHFFFAOYSA-N 0 3 235.327 2.177 20 10 BECDHN CC[N@H+](Cc1ccc(O)cc1[O-])C(C)C ZINC001204272972 978897283 /nfs/dbraw/zinc/89/72/83/978897283.db2.gz VTKQMIJDILGRSR-UHFFFAOYSA-N 0 3 209.289 2.328 20 10 BECDHN CC[N@@H+](Cc1ccc(O)cc1[O-])C(C)C ZINC001204272972 978897285 /nfs/dbraw/zinc/89/72/85/978897285.db2.gz VTKQMIJDILGRSR-UHFFFAOYSA-N 0 3 209.289 2.328 20 10 BECDHN CCc1ccc(C[NH+]2CCC(C)(O)CC2)c([O-])c1 ZINC001236783336 979729820 /nfs/dbraw/zinc/72/98/20/979729820.db2.gz JZGHHKIXCQTGLO-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(CN2CC[C@@H](F)C2)c(O)c1 ZINC001236784602 979730161 /nfs/dbraw/zinc/73/01/61/979730161.db2.gz XGTNCSDJEMTGRN-GFCCVEGCSA-N 0 3 223.291 2.498 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c([O-])c1 ZINC001236789634 979732606 /nfs/dbraw/zinc/73/26/06/979732606.db2.gz BWKCOWXIYKRHBA-RISCZKNCSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)c([O-])c1 ZINC001236789634 979732620 /nfs/dbraw/zinc/73/26/20/979732620.db2.gz BWKCOWXIYKRHBA-RISCZKNCSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@H+](CC)CCOC)c([O-])c1 ZINC001236782504 979733853 /nfs/dbraw/zinc/73/38/53/979733853.db2.gz BRWOAMBRSACKIH-UHFFFAOYSA-N 0 3 237.343 2.423 20 10 BECDHN CCc1ccc(C[N@@H+](CC)CCOC)c([O-])c1 ZINC001236782504 979733857 /nfs/dbraw/zinc/73/38/57/979733857.db2.gz BRWOAMBRSACKIH-UHFFFAOYSA-N 0 3 237.343 2.423 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC001236789637 979734300 /nfs/dbraw/zinc/73/43/00/979734300.db2.gz BWKCOWXIYKRHBA-SMDDNHRTSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC001236789637 979734314 /nfs/dbraw/zinc/73/43/14/979734314.db2.gz BWKCOWXIYKRHBA-SMDDNHRTSA-N 0 3 249.354 2.300 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC001237053979 979811435 /nfs/dbraw/zinc/81/14/35/979811435.db2.gz SAAMXFAJDNRCCU-LBPRGKRZSA-N 0 3 249.354 2.330 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC001237053979 979811439 /nfs/dbraw/zinc/81/14/39/979811439.db2.gz SAAMXFAJDNRCCU-LBPRGKRZSA-N 0 3 249.354 2.330 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001237484284 979909380 /nfs/dbraw/zinc/90/93/80/979909380.db2.gz ACGMPMYLWHWUBQ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](O)[C@H](C)C1 ZINC001237484284 979909383 /nfs/dbraw/zinc/90/93/83/979909383.db2.gz ACGMPMYLWHWUBQ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001237485899 979910042 /nfs/dbraw/zinc/91/00/42/979910042.db2.gz VHHTYOPQCILBON-GFCCVEGCSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCC[C@@H](O)C1 ZINC001237485899 979910053 /nfs/dbraw/zinc/91/00/53/979910053.db2.gz VHHTYOPQCILBON-GFCCVEGCSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(O)c1CN1CCOCC12CCC2 ZINC001237488060 979918830 /nfs/dbraw/zinc/91/88/30/979918830.db2.gz QLRVNXKZYHUYQR-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN CC(C)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001201478886 983285445 /nfs/dbraw/zinc/28/54/45/983285445.db2.gz MSOZLNPQAFSPLR-UHFFFAOYSA-N 0 3 205.301 2.406 20 10 BECDHN CC(C)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001201478886 983285452 /nfs/dbraw/zinc/28/54/52/983285452.db2.gz MSOZLNPQAFSPLR-UHFFFAOYSA-N 0 3 205.301 2.406 20 10 BECDHN CCN1CCN(c2ccc(OC)cc2C)CC1 ZINC001201587335 983350912 /nfs/dbraw/zinc/35/09/12/983350912.db2.gz FVPZFXPQWCRQJO-UHFFFAOYSA-N 0 3 234.343 2.146 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])CC12CC(C)(C1)OC2 ZINC001459689151 985583716 /nfs/dbraw/zinc/58/37/16/985583716.db2.gz RKYJMZUYJFPNCB-UHFFFAOYSA-N 0 3 247.338 2.393 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])CC12CC(C)(C1)OC2 ZINC001459689151 985583701 /nfs/dbraw/zinc/58/37/01/985583701.db2.gz RKYJMZUYJFPNCB-UHFFFAOYSA-N 0 3 247.338 2.393 20 10 BECDHN C[N@H+](Cc1ccccc1O)Cc1ncccc1[O-] ZINC001138394160 990926766 /nfs/dbraw/zinc/92/67/66/990926766.db2.gz HRPJRUHBSYQDSN-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN C[N@@H+](Cc1ccccc1O)Cc1ncccc1[O-] ZINC001138394160 990926771 /nfs/dbraw/zinc/92/67/71/990926771.db2.gz HRPJRUHBSYQDSN-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN CCC1(C[N@@H+]2CCc3cccc([O-])c3C2)COC1 ZINC001202963564 991339150 /nfs/dbraw/zinc/33/91/50/991339150.db2.gz CAVGZGCICQNGFA-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN CCC1(C[N@H+]2CCc3cccc([O-])c3C2)COC1 ZINC001202963564 991339161 /nfs/dbraw/zinc/33/91/61/991339161.db2.gz CAVGZGCICQNGFA-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN CC(C)n1cc(CNCc2ccc(N)cc2)cn1 ZINC001575903502 993120745 /nfs/dbraw/zinc/12/07/45/993120745.db2.gz LTAAMSLDGBBWKM-UHFFFAOYSA-N 0 3 244.342 2.336 20 10 BECDHN CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000389563224 993755397 /nfs/dbraw/zinc/75/53/97/993755397.db2.gz URIZCOIMBHJRHI-NEPJUHHUSA-N 0 3 234.343 2.137 20 10 BECDHN C[C@H]([NH2+]Cc1ccnc(N)c1)c1ccccc1[O-] ZINC001308010647 995518814 /nfs/dbraw/zinc/51/88/14/995518814.db2.gz VMCGRVMUADLIIQ-JTQLQIEISA-N 0 3 243.310 2.220 20 10 BECDHN Cc1nc(CNCCc2ccc(N)cc2)cs1 ZINC000049539061 1171701358 /nfs/dbraw/zinc/70/13/58/1171701358.db2.gz MJSRDIAKHBUKFY-UHFFFAOYSA-N 0 3 247.367 2.366 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000123534899 187326777 /nfs/dbraw/zinc/32/67/77/187326777.db2.gz XEBBZEAMOWJRLW-QWRGUYRKSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCCOCC2)cc1C ZINC000363377683 178196151 /nfs/dbraw/zinc/19/61/51/178196151.db2.gz HHKUMRBGTKZZAJ-UHFFFAOYSA-N 0 3 235.327 2.231 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCCOCC2)cc1C ZINC000363377683 178196154 /nfs/dbraw/zinc/19/61/54/178196154.db2.gz HHKUMRBGTKZZAJ-UHFFFAOYSA-N 0 3 235.327 2.231 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CCc2cn[nH]c2)cc1C ZINC000289981565 178197204 /nfs/dbraw/zinc/19/72/04/178197204.db2.gz WWIATRUDNVZWCQ-UHFFFAOYSA-N 0 3 245.326 2.064 20 10 BECDHN C[C@H]([NH2+][C@H]1C[C@H](O)C1(C)C)c1ccccc1[O-] ZINC000128225264 398339768 /nfs/dbraw/zinc/33/97/68/398339768.db2.gz WMNDEMWEVMIVIJ-XDTLVQLUSA-N 0 3 235.327 2.202 20 10 BECDHN C[C@H](CCCO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000296627293 136375957 /nfs/dbraw/zinc/37/59/57/136375957.db2.gz XEECLVNIWURAAT-NEPJUHHUSA-N 0 3 237.343 2.451 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)CC[C@@H](C)O)cc1C ZINC000093481375 344318299 /nfs/dbraw/zinc/31/82/99/344318299.db2.gz FJAUUEFKXALBDE-GFCCVEGCSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)CC[C@@H](C)O)cc1C ZINC000093481375 344318301 /nfs/dbraw/zinc/31/83/01/344318301.db2.gz FJAUUEFKXALBDE-GFCCVEGCSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)CC2(O)CCCC2)c1 ZINC000093503204 345674348 /nfs/dbraw/zinc/67/43/48/345674348.db2.gz OUTUBOZUNPUHDO-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)CC2(O)CCCC2)c1 ZINC000093503204 345674353 /nfs/dbraw/zinc/67/43/53/345674353.db2.gz OUTUBOZUNPUHDO-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000180308409 179077469 /nfs/dbraw/zinc/07/74/69/179077469.db2.gz ILMDUHATONBAQA-TZMCWYRMSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c1[O-] ZINC000180308409 179077473 /nfs/dbraw/zinc/07/74/73/179077473.db2.gz ILMDUHATONBAQA-TZMCWYRMSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC000180377132 179077925 /nfs/dbraw/zinc/07/79/25/179077925.db2.gz OQVLPMIPENTOQS-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@](C)(O)C2)c1[O-] ZINC000180377132 179077926 /nfs/dbraw/zinc/07/79/26/179077926.db2.gz OQVLPMIPENTOQS-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(CN2CCO[C@@H](C3CC3)C2)c1O ZINC000364520167 179078310 /nfs/dbraw/zinc/07/83/10/179078310.db2.gz KMEDKWCMKXQIOD-CQSZACIVSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc(C[N@H+]2CCOC[C@@H](C)C2)c1[O-] ZINC000378445180 179078954 /nfs/dbraw/zinc/07/89/54/179078954.db2.gz SLMLMAFQXUOJJI-NSHDSACASA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@@H+]2CCOC[C@@H](C)C2)c1[O-] ZINC000378445180 179078957 /nfs/dbraw/zinc/07/89/57/179078957.db2.gz SLMLMAFQXUOJJI-NSHDSACASA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(CN2C[C@H](C)O[C@@H](C)C2)c1O ZINC000124498753 179084396 /nfs/dbraw/zinc/08/43/96/179084396.db2.gz PDZJBDWWBXJBHC-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1nn(C)c(C)c1C[NH2+]Cc1ccccc1[O-] ZINC000112018082 180340649 /nfs/dbraw/zinc/34/06/49/180340649.db2.gz FVCKSGHYFGLNAL-UHFFFAOYSA-N 0 3 245.326 2.032 20 10 BECDHN COc1ccc(CNC[C@H]2CCCO2)cc1C ZINC000035052588 188284611 /nfs/dbraw/zinc/28/46/11/188284611.db2.gz ROMWRAOVVVVNLX-CYBMUJFWSA-N 0 3 235.327 2.272 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCc2nccs2)c1 ZINC000071409388 188305481 /nfs/dbraw/zinc/30/54/81/188305481.db2.gz ODCBTRYTVKXTTQ-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000186535445 188347650 /nfs/dbraw/zinc/34/76/50/188347650.db2.gz KVSRYFZRJMHCRS-ITDFMYJTSA-N 0 3 235.327 2.117 20 10 BECDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000191694425 355833928 /nfs/dbraw/zinc/83/39/28/355833928.db2.gz IBEWCEKGYSAFAS-QWRGUYRKSA-N 0 3 223.316 2.214 20 10 BECDHN C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296587160 364785528 /nfs/dbraw/zinc/78/55/28/364785528.db2.gz WMARVVUNTSGSAR-RTXFEEFZSA-N 0 3 247.338 2.394 20 10 BECDHN CC[C@@H](O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297079985 364788508 /nfs/dbraw/zinc/78/85/08/364788508.db2.gz WSEJBNMZLQWFFV-NEPJUHHUSA-N 0 3 235.327 2.130 20 10 BECDHN CC[C@H](O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297079991 364788614 /nfs/dbraw/zinc/78/86/14/364788614.db2.gz WSEJBNMZLQWFFV-NWDGAFQWSA-N 0 3 235.327 2.130 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCOCC1CC1 ZINC000226608058 183275003 /nfs/dbraw/zinc/27/50/03/183275003.db2.gz FTRCGCNISAARQO-UHFFFAOYSA-N 0 3 239.290 2.048 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C1CC(F)(F)C1 ZINC000277572276 183275126 /nfs/dbraw/zinc/27/51/26/183275126.db2.gz SQJOAPBLUCBIPL-UHFFFAOYSA-N 0 3 231.217 2.419 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CC1CCC1 ZINC000226587618 183275288 /nfs/dbraw/zinc/27/52/88/183275288.db2.gz UCKGMGRRYLEWEL-UHFFFAOYSA-N 0 3 209.264 2.421 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCOC1)CC2 ZINC000296072362 183297087 /nfs/dbraw/zinc/29/70/87/183297087.db2.gz SDTAPFQBDILBFD-JQWIXIFHSA-N 0 3 233.311 2.006 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCOC1)CC2 ZINC000296072368 183297988 /nfs/dbraw/zinc/29/79/88/183297988.db2.gz SDTAPFQBDILBFD-ZYHUDNBSSA-N 0 3 233.311 2.006 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCOC1)CC2 ZINC000296072356 183298072 /nfs/dbraw/zinc/29/80/72/183298072.db2.gz SDTAPFQBDILBFD-CMPLNLGQSA-N 0 3 233.311 2.006 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCC[C@H]1O)CC2 ZINC000297598672 183298202 /nfs/dbraw/zinc/29/82/02/183298202.db2.gz HYEGSPCEBXXGCB-YNEHKIRRSA-N 0 3 247.338 2.273 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1CCSCC1 ZINC000075152004 183301041 /nfs/dbraw/zinc/30/10/41/183301041.db2.gz FKHGWJYPTWPBPH-UHFFFAOYSA-N 0 3 223.341 2.377 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC12CCOCC2 ZINC000375732678 183301114 /nfs/dbraw/zinc/30/11/14/183301114.db2.gz PYUAHXIQSBVBEW-UHFFFAOYSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC12CCOCC2 ZINC000375732678 183301118 /nfs/dbraw/zinc/30/11/18/183301118.db2.gz PYUAHXIQSBVBEW-UHFFFAOYSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375303685 183302312 /nfs/dbraw/zinc/30/23/12/183302312.db2.gz PLJHAPRPQJLJTA-HNNXBMFYSA-N 0 3 247.338 2.395 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000375303685 183302316 /nfs/dbraw/zinc/30/23/16/183302316.db2.gz PLJHAPRPQJLJTA-HNNXBMFYSA-N 0 3 247.338 2.395 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000271460098 169179972 /nfs/dbraw/zinc/17/99/72/169179972.db2.gz WVFHKQSXHVFYAL-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000271460098 169179974 /nfs/dbraw/zinc/17/99/74/169179974.db2.gz WVFHKQSXHVFYAL-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CN(C)C1(C[NH2+]Cc2ccccc2[O-])CCCC1 ZINC000111254326 383846564 /nfs/dbraw/zinc/84/65/64/383846564.db2.gz HLJDEWHIRNSXMM-UHFFFAOYSA-N 0 3 248.370 2.356 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCc2cccnc2)c1 ZINC000071408018 383860617 /nfs/dbraw/zinc/86/06/17/383860617.db2.gz JOYZLHUTXRSKGZ-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN CC[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000035628936 383864787 /nfs/dbraw/zinc/86/47/87/383864787.db2.gz WHKCSGAYJHVSRC-GHMZBOCLSA-N 0 3 223.316 2.122 20 10 BECDHN CCOCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000036228263 383886148 /nfs/dbraw/zinc/88/61/48/383886148.db2.gz LDQUMZUUIPNGSF-NSHDSACASA-N 0 3 223.316 2.388 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCOC2)c([O-])c1 ZINC000037738306 384002284 /nfs/dbraw/zinc/00/22/84/384002284.db2.gz XXDJJSLLWFPMSY-NEPJUHHUSA-N 0 3 235.327 2.388 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1[O-] ZINC000038044197 384062190 /nfs/dbraw/zinc/06/21/90/384062190.db2.gz QJMYCKFEFYEEFC-VXGBXAGGSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@@H]([NH2+]CCCCCO)c1ccccc1[O-] ZINC000038272165 384081695 /nfs/dbraw/zinc/08/16/95/384081695.db2.gz FTXVZLBMVKCLSW-LLVKDONJSA-N 0 3 223.316 2.205 20 10 BECDHN CC[C@H](COC)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000070625205 384124579 /nfs/dbraw/zinc/12/45/79/384124579.db2.gz IZUPUACWVXKAJS-WDEREUQCSA-N 0 3 223.316 2.468 20 10 BECDHN CO[C@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000091772765 384144351 /nfs/dbraw/zinc/14/43/51/384144351.db2.gz CYOJZOAEVMYOAA-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000091772765 384144359 /nfs/dbraw/zinc/14/43/59/384144359.db2.gz CYOJZOAEVMYOAA-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)CC(C)C)c1 ZINC000071408303 384166264 /nfs/dbraw/zinc/16/62/64/384166264.db2.gz VWCSDPMCTUPFMZ-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCC[C@@H]2O)c1 ZINC000071409186 384166618 /nfs/dbraw/zinc/16/66/18/384166618.db2.gz PRABIXRGWGDLCK-JSGCOSHPSA-N 0 3 235.327 2.094 20 10 BECDHN CCN1CCC([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000071408228 384166713 /nfs/dbraw/zinc/16/67/13/384166713.db2.gz QJYKVWLSQJJKKG-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CCO)c([O-])c1 ZINC000132549600 384236932 /nfs/dbraw/zinc/23/69/32/384236932.db2.gz XUARHGIHUBCALW-MNOVXSKESA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc(O)c(CN2CCO[C@H]3CCC[C@@H]32)c1 ZINC000132759215 384249002 /nfs/dbraw/zinc/24/90/02/384249002.db2.gz MHDYCQOOTFZYHX-ZFWWWQNUSA-N 0 3 247.338 2.454 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@H]1CCOC1 ZINC000297156521 384263849 /nfs/dbraw/zinc/26/38/49/384263849.db2.gz BDEICBLHTXNXHK-WCFLWFBJSA-N 0 3 247.338 2.394 20 10 BECDHN Cc1n[nH]cc1C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617744 384307597 /nfs/dbraw/zinc/30/75/97/384307597.db2.gz LXBJPEZPCMEHML-SECBINFHSA-N 0 3 249.289 2.414 20 10 BECDHN C[C@@H]([NH2+]Cc1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000094617848 384308143 /nfs/dbraw/zinc/30/81/43/384308143.db2.gz LPBPRMLUIWNVES-SECBINFHSA-N 0 3 249.289 2.116 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2(C)COC2)c1 ZINC000094721617 384311448 /nfs/dbraw/zinc/31/14/48/384311448.db2.gz JERIUHXHUYMEMF-LLVKDONJSA-N 0 3 235.327 2.388 20 10 BECDHN CCN(CC[NH2+]Cc1cccc(C)c1[O-])C1CC1 ZINC000224576898 384455858 /nfs/dbraw/zinc/45/58/58/384455858.db2.gz CDCSAHRTTXLRCX-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)CCO)c1ccccc1[O-] ZINC000097439800 384519501 /nfs/dbraw/zinc/51/95/01/384519501.db2.gz CMGLHKWDOIOEOF-YPMHNXCESA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CCC(C)(CO)CC2)c1 ZINC000184068774 384559412 /nfs/dbraw/zinc/55/94/12/384559412.db2.gz QBUHUGLREKTDCW-UHFFFAOYSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC2(N(C)C)CCC2)c1 ZINC000097929478 384580137 /nfs/dbraw/zinc/58/01/37/384580137.db2.gz ASQZNDBLOXEOJX-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN C[C@H]([NH2+]CCCn1ccnc1)c1ccccc1[O-] ZINC000020506289 384619466 /nfs/dbraw/zinc/61/94/66/384619466.db2.gz FHHPGADZQSJYJL-LBPRGKRZSA-N 0 3 245.326 2.330 20 10 BECDHN COCC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000081709152 384628979 /nfs/dbraw/zinc/62/89/79/384628979.db2.gz SIGQKMDUYLHTPP-WDEREUQCSA-N 0 3 223.316 2.468 20 10 BECDHN C[C@H](O)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184829086 384652767 /nfs/dbraw/zinc/65/27/67/384652767.db2.gz QUPHYQLLQQYSOI-QWRGUYRKSA-N 0 3 249.354 2.302 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c([O-])c1 ZINC000185142341 384684089 /nfs/dbraw/zinc/68/40/89/384684089.db2.gz FUUUGZLVNKOWJO-OLZOCXBDSA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000141897788 384687833 /nfs/dbraw/zinc/68/78/33/384687833.db2.gz YMBJNYTZJVOGQL-BETUJISGSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000141897788 384687837 /nfs/dbraw/zinc/68/78/37/384687837.db2.gz YMBJNYTZJVOGQL-BETUJISGSA-N 0 3 248.370 2.225 20 10 BECDHN CC[C@@H](COC)[NH2+]Cc1cccc(C)c1[O-] ZINC000162867502 384699600 /nfs/dbraw/zinc/69/96/00/384699600.db2.gz KKMSDOLCXGXKEY-LBPRGKRZSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000082992802 384734153 /nfs/dbraw/zinc/73/41/53/384734153.db2.gz LSVNJQALSNKPIT-WDEREUQCSA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000082992798 384734931 /nfs/dbraw/zinc/73/49/31/384734931.db2.gz LSVNJQALSNKPIT-GHMZBOCLSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)CO)c1cc2c(cc1[O-])CCCC2 ZINC000185579318 384741362 /nfs/dbraw/zinc/74/13/62/384741362.db2.gz TUFWWGHRZGAJFF-WDEREUQCSA-N 0 3 249.354 2.302 20 10 BECDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000290838304 384818461 /nfs/dbraw/zinc/81/84/61/384818461.db2.gz IBEWCEKGYSAFAS-MNOVXSKESA-N 0 3 223.316 2.214 20 10 BECDHN CC[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000289602081 384790188 /nfs/dbraw/zinc/79/01/88/384790188.db2.gz BPTUNCKWFLTMHG-MNOVXSKESA-N 0 3 223.316 2.468 20 10 BECDHN CCOCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111379 385073576 /nfs/dbraw/zinc/07/35/76/385073576.db2.gz WTOGWVRNISTGLD-VIFPVBQESA-N 0 3 227.279 2.218 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000189315901 385145269 /nfs/dbraw/zinc/14/52/69/385145269.db2.gz QJRFETVGNWMENF-WOPDTQHZSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C)c([O-])c1 ZINC000168535732 385375018 /nfs/dbraw/zinc/37/50/18/385375018.db2.gz BXUYOHFOPWFMPG-RYUDHWBXSA-N 0 3 236.359 2.301 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C)c([O-])c1 ZINC000168535639 385375435 /nfs/dbraw/zinc/37/54/35/385375435.db2.gz BXUYOHFOPWFMPG-NWDGAFQWSA-N 0 3 236.359 2.301 20 10 BECDHN C[C@H]([NH2+]CCF)c1cc(F)ccc1[O-] ZINC000281082290 385394393 /nfs/dbraw/zinc/39/43/93/385394393.db2.gz PEZFFDWCEQDEJI-ZETCQYMHSA-N 0 3 201.216 2.151 20 10 BECDHN CN(C)c1ccc(CN2CCC(C)(O)CC2)cc1 ZINC000179721496 385488029 /nfs/dbraw/zinc/48/80/29/385488029.db2.gz ZALNVYMBFRVDSK-UHFFFAOYSA-N 0 3 248.370 2.099 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCSC1 ZINC000179560699 385474534 /nfs/dbraw/zinc/47/45/34/385474534.db2.gz JFLDEFJXNKDSIT-LLVKDONJSA-N 0 3 223.341 2.330 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCSC1 ZINC000179560699 385474536 /nfs/dbraw/zinc/47/45/36/385474536.db2.gz JFLDEFJXNKDSIT-LLVKDONJSA-N 0 3 223.341 2.330 20 10 BECDHN C[C@H](CCO)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000295203879 385491938 /nfs/dbraw/zinc/49/19/38/385491938.db2.gz ZCTVIUSTIMKRBI-JTQLQIEISA-N 0 3 241.306 2.030 20 10 BECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCSC1 ZINC000179928235 385500836 /nfs/dbraw/zinc/50/08/36/385500836.db2.gz BXPORSQPLSQJIK-LLVKDONJSA-N 0 3 241.331 2.469 20 10 BECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCSC1 ZINC000179928235 385500838 /nfs/dbraw/zinc/50/08/38/385500838.db2.gz BXPORSQPLSQJIK-LLVKDONJSA-N 0 3 241.331 2.469 20 10 BECDHN C[N@H+](CCCn1ccnc1)Cc1ccccc1[O-] ZINC000182899210 385717364 /nfs/dbraw/zinc/71/73/64/385717364.db2.gz PKQRHJYXCJRUQW-UHFFFAOYSA-N 0 3 245.326 2.111 20 10 BECDHN C[N@@H+](CCCn1ccnc1)Cc1ccccc1[O-] ZINC000182899210 385717367 /nfs/dbraw/zinc/71/73/67/385717367.db2.gz PKQRHJYXCJRUQW-UHFFFAOYSA-N 0 3 245.326 2.111 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000270517050 385714807 /nfs/dbraw/zinc/71/48/07/385714807.db2.gz LCQSRMMAEFABKW-TZMCWYRMSA-N 0 3 235.327 2.128 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCC[C@H]1O ZINC000270517050 385714811 /nfs/dbraw/zinc/71/48/11/385714811.db2.gz LCQSRMMAEFABKW-TZMCWYRMSA-N 0 3 235.327 2.128 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CCN(C)C)c([O-])c1 ZINC000294002613 385785153 /nfs/dbraw/zinc/78/51/53/385785153.db2.gz CSAZPMJMKCNCIP-LBPRGKRZSA-N 0 3 236.359 2.221 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CCO)c([O-])c1C ZINC000273359223 385992551 /nfs/dbraw/zinc/99/25/51/385992551.db2.gz ABQJCUFUPBTCAV-CMPLNLGQSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)c([O-])c1C ZINC000273581505 386013713 /nfs/dbraw/zinc/01/37/13/386013713.db2.gz MSEGSLJJLZLUOP-ZYHUDNBSSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCN(C)C)c([O-])c1C ZINC000287182972 386099354 /nfs/dbraw/zinc/09/93/54/386099354.db2.gz VHHUOYZNWKFMHM-GFCCVEGCSA-N 0 3 236.359 2.221 20 10 BECDHN CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296278323 386159082 /nfs/dbraw/zinc/15/90/82/386159082.db2.gz COGUNQKTMZGUKH-JBLDHEPKSA-N 0 3 235.327 2.393 20 10 BECDHN CC(C)C(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000289758168 386353535 /nfs/dbraw/zinc/35/35/35/386353535.db2.gz HVFXKBVMRHLWMI-UHFFFAOYSA-N 0 3 235.327 2.439 20 10 BECDHN CC(C)C(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000289758168 386353539 /nfs/dbraw/zinc/35/35/39/386353539.db2.gz HVFXKBVMRHLWMI-UHFFFAOYSA-N 0 3 235.327 2.439 20 10 BECDHN CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000135224865 386497768 /nfs/dbraw/zinc/49/77/68/386497768.db2.gz RVTYXBSZZXIBNR-GXTWGEPZSA-N 0 3 235.327 2.439 20 10 BECDHN C[C@H]([NH2+][C@H]1C[C@@H](O)C1(C)C)c1ccccc1[O-] ZINC000228851763 386627252 /nfs/dbraw/zinc/62/72/52/386627252.db2.gz WMNDEMWEVMIVIJ-TVYUQYBPSA-N 0 3 235.327 2.202 20 10 BECDHN Cc1ccc(O)c(CN2C[C@@H](C)OC[C@H]2C)c1 ZINC000245921530 386610162 /nfs/dbraw/zinc/61/01/62/386610162.db2.gz NWFYHKVFZGLUBI-VXGBXAGGSA-N 0 3 235.327 2.310 20 10 BECDHN CO[C@@H](C[NH2+]Cc1cc(C)ccc1[O-])C1CC1 ZINC000293219936 386770229 /nfs/dbraw/zinc/77/02/29/386770229.db2.gz YQGUPBYFCOLGCF-AWEZNQCLSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](CO)CC2CCC2)c1 ZINC000279950679 386761072 /nfs/dbraw/zinc/76/10/72/386761072.db2.gz ZNCOSKLWRROPME-AWEZNQCLSA-N 0 3 249.354 2.341 20 10 BECDHN CC(C)C1([NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000292931683 387313078 /nfs/dbraw/zinc/31/30/78/387313078.db2.gz HALRWOJPVRUUET-UHFFFAOYSA-N 0 3 249.310 2.399 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000527741034 387707145 /nfs/dbraw/zinc/70/71/45/387707145.db2.gz WPBFTLDETUYMGN-LBPRGKRZSA-N 0 3 235.327 2.299 20 10 BECDHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000527803642 387725004 /nfs/dbraw/zinc/72/50/04/387725004.db2.gz HULHIWYVYBFMTK-DYNIEEOBSA-N 0 3 235.327 2.294 20 10 BECDHN Cc1n[nH]c(C)c1C[NH2+]Cc1ccccc1[O-] ZINC000134235510 387805076 /nfs/dbraw/zinc/80/50/76/387805076.db2.gz JCLALJFQMUIHHB-UHFFFAOYSA-N 0 3 231.299 2.022 20 10 BECDHN CO[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000293729344 388391510 /nfs/dbraw/zinc/39/15/10/388391510.db2.gz RFBMHFCPHPWFPT-TZMCWYRMSA-N 0 3 247.338 2.394 20 10 BECDHN CO[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000293729341 388392130 /nfs/dbraw/zinc/39/21/30/388392130.db2.gz RFBMHFCPHPWFPT-JSGCOSHPSA-N 0 3 247.338 2.394 20 10 BECDHN CN1CCC([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000295962469 388415435 /nfs/dbraw/zinc/41/54/35/388415435.db2.gz MFYJFXUJVHMAGN-ZDUSSCGKSA-N 0 3 246.354 2.063 20 10 BECDHN CCN(CC)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296135517 388417931 /nfs/dbraw/zinc/41/79/31/388417931.db2.gz VZEYZVWAQBIISE-CYBMUJFWSA-N 0 3 248.370 2.311 20 10 BECDHN C[C@@H](CCO)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297459622 388429778 /nfs/dbraw/zinc/42/97/78/388429778.db2.gz XREUHZHZKGXUHC-YPMHNXCESA-N 0 3 249.354 2.378 20 10 BECDHN CC[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000297490127 388429879 /nfs/dbraw/zinc/42/98/79/388429879.db2.gz ZXRZDDDPEVMKCY-NWDGAFQWSA-N 0 3 235.327 2.394 20 10 BECDHN CC(C)[C@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297622516 388430621 /nfs/dbraw/zinc/43/06/21/388430621.db2.gz IZGOUEPSEOJONB-QWHCGFSZSA-N 0 3 249.354 2.376 20 10 BECDHN CO[C@@H](C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297895355 388431990 /nfs/dbraw/zinc/43/19/90/388431990.db2.gz VTXSENWHPXGHSF-CMPLNLGQSA-N 0 3 235.327 2.394 20 10 BECDHN C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000272852008 389036157 /nfs/dbraw/zinc/03/61/57/389036157.db2.gz LFZGVSFFMAODJK-GXFFZTMASA-N 0 3 237.343 2.450 20 10 BECDHN c1cc(N2CCNCC2)ccc1OC1CCCC1 ZINC000019688468 132326343 /nfs/dbraw/zinc/32/63/43/132326343.db2.gz HJDDNNCOFXGUJP-UHFFFAOYSA-N 0 3 246.354 2.418 20 10 BECDHN CC(C)OC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000274591438 167176511 /nfs/dbraw/zinc/17/65/11/167176511.db2.gz NMLGMBGIJQBENX-UHFFFAOYSA-N 0 3 235.327 2.438 20 10 BECDHN CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296252918 168008445 /nfs/dbraw/zinc/00/84/45/168008445.db2.gz BHXKYNJDIDZYKB-RAIGVLPGSA-N 0 3 247.338 2.129 20 10 BECDHN CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)COC1 ZINC000297970099 168045540 /nfs/dbraw/zinc/04/55/40/168045540.db2.gz ZSRIWPHYPXPALX-LLVKDONJSA-N 0 3 233.311 2.006 20 10 BECDHN CC1([NH2+]Cc2ccccc2[O-])CCOCC1 ZINC000131138606 168064244 /nfs/dbraw/zinc/06/42/44/168064244.db2.gz JWDSVVJAJAOYAG-UHFFFAOYSA-N 0 3 221.300 2.051 20 10 BECDHN CCN1CC[C@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000249377494 170017252 /nfs/dbraw/zinc/01/72/52/170017252.db2.gz MDHKCSBVURRMAA-CHWSQXEVSA-N 0 3 248.370 2.385 20 10 BECDHN CCOCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000083352845 170381491 /nfs/dbraw/zinc/38/14/91/170381491.db2.gz VCYLXJZMPQROOT-UHFFFAOYSA-N 0 3 223.316 2.217 20 10 BECDHN CC[C@@H]1CC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000292872606 171023442 /nfs/dbraw/zinc/02/34/42/171023442.db2.gz WOCHNUWQSZCABZ-LLVKDONJSA-N 0 3 221.300 2.385 20 10 BECDHN CC[C@@H]1CC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000292872606 171023443 /nfs/dbraw/zinc/02/34/43/171023443.db2.gz WOCHNUWQSZCABZ-LLVKDONJSA-N 0 3 221.300 2.385 20 10 BECDHN CC[C@H](O)C[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000293616579 171576709 /nfs/dbraw/zinc/57/67/09/171576709.db2.gz JLKRMERUIRRIQD-NEPJUHHUSA-N 0 3 237.343 2.431 20 10 BECDHN CN(C)C(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296110996 172396236 /nfs/dbraw/zinc/39/62/36/172396236.db2.gz UTNFZEYEKUCZOI-GFCCVEGCSA-N 0 3 248.370 2.309 20 10 BECDHN COCC1=CC[N@H+](Cc2ccccc2[O-])CC1 ZINC000187616292 174116791 /nfs/dbraw/zinc/11/67/91/174116791.db2.gz QWZWZKBXJZCEAR-UHFFFAOYSA-N 0 3 233.311 2.171 20 10 BECDHN COCC1=CC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000187616292 174116793 /nfs/dbraw/zinc/11/67/93/174116793.db2.gz QWZWZKBXJZCEAR-UHFFFAOYSA-N 0 3 233.311 2.171 20 10 BECDHN COCCCCC[NH2+]Cc1ccccc1[O-] ZINC000163761281 174182375 /nfs/dbraw/zinc/18/23/75/174182375.db2.gz JYQJTVBDPVBKSQ-UHFFFAOYSA-N 0 3 223.316 2.299 20 10 BECDHN CO[C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000292819927 174890530 /nfs/dbraw/zinc/89/05/30/174890530.db2.gz NZDRMBUJAMPTMP-AWEZNQCLSA-N 0 3 248.370 2.282 20 10 BECDHN COc1ccc([O-])c(C[N@H+](C)C(C)C)c1 ZINC000132484910 175157223 /nfs/dbraw/zinc/15/72/23/175157223.db2.gz SRXGNZXLFZFFAS-UHFFFAOYSA-N 0 3 209.289 2.241 20 10 BECDHN COc1ccc([O-])c(C[N@@H+](C)C(C)C)c1 ZINC000132484910 175157226 /nfs/dbraw/zinc/15/72/26/175157226.db2.gz SRXGNZXLFZFFAS-UHFFFAOYSA-N 0 3 209.289 2.241 20 10 BECDHN COc1ccc([O-])c(C[NH+]2C[C@H](C)[C@@H](C)C2)c1 ZINC000211605161 175157646 /nfs/dbraw/zinc/15/76/46/175157646.db2.gz VPCKCIGYYXIMHN-QWRGUYRKSA-N 0 3 235.327 2.489 20 10 BECDHN COc1ccc(O)c(CNCc2ccncc2)c1 ZINC000020140551 175159020 /nfs/dbraw/zinc/15/90/20/175159020.db2.gz NAQBRQNNHOHJBR-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN COc1cccc(C[NH2+]C2CC(C)C2)c1[O-] ZINC000128870495 175262947 /nfs/dbraw/zinc/26/29/47/175262947.db2.gz NOOHKKIHRIDVNL-UHFFFAOYSA-N 0 3 221.300 2.289 20 10 BECDHN COc1cccc(C[NH2+]CC=C(C)C)c1[O-] ZINC000191627531 175262963 /nfs/dbraw/zinc/26/29/63/175262963.db2.gz JAYQJEGBNWNFOW-UHFFFAOYSA-N 0 3 221.300 2.457 20 10 BECDHN COc1cccc(C[NH2+]C2(C)CCC2)c1[O-] ZINC000159997438 175263765 /nfs/dbraw/zinc/26/37/65/175263765.db2.gz VYNYFDRDGAKAMS-UHFFFAOYSA-N 0 3 221.300 2.433 20 10 BECDHN COc1cccc(C[NH2+][C@H](C)C2CC2)c1[O-] ZINC000035733299 175267111 /nfs/dbraw/zinc/26/71/11/175267111.db2.gz INKNTJXBZCCIPM-SECBINFHSA-N 0 3 221.300 2.289 20 10 BECDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCCO1 ZINC000179393458 176305135 /nfs/dbraw/zinc/30/51/35/176305135.db2.gz UWZMHIHWIXPRDL-CYBMUJFWSA-N 0 3 248.370 2.363 20 10 BECDHN C[C@H]1CN(Cc2ccccc2O)C[C@H](C)O1 ZINC000028221880 177266111 /nfs/dbraw/zinc/26/61/11/177266111.db2.gz CTGGINCBVRTYPW-QWRGUYRKSA-N 0 3 221.300 2.001 20 10 BECDHN C[C@@H]1CN(Cc2ccccc2O)[C@@H](C)CO1 ZINC000217777317 177302129 /nfs/dbraw/zinc/30/21/29/177302129.db2.gz YBIJZSUQEIAVTR-WDEREUQCSA-N 0 3 221.300 2.001 20 10 BECDHN C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2[O-])CCN1C ZINC000179579712 177364618 /nfs/dbraw/zinc/36/46/18/177364618.db2.gz HFPNXVCRNNKZCV-GXTWGEPZSA-N 0 3 248.370 2.307 20 10 BECDHN C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2[O-])CCN1C ZINC000179579712 177364619 /nfs/dbraw/zinc/36/46/19/177364619.db2.gz HFPNXVCRNNKZCV-GXTWGEPZSA-N 0 3 248.370 2.307 20 10 BECDHN C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[O-] ZINC000530219804 324537902 /nfs/dbraw/zinc/53/79/02/324537902.db2.gz MZUIHFKIRQTVQY-BXUZGUMPSA-N 0 3 246.354 2.327 20 10 BECDHN C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1ccccc1[O-] ZINC000530219809 324538223 /nfs/dbraw/zinc/53/82/23/324538223.db2.gz MZUIHFKIRQTVQY-RISCZKNCSA-N 0 3 246.354 2.327 20 10 BECDHN CC[C@]1(CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000191012494 517839772 /nfs/dbraw/zinc/83/97/72/517839772.db2.gz NINWNWMXCCTENU-CQSZACIVSA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@]1(CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000191012494 517839782 /nfs/dbraw/zinc/83/97/82/517839782.db2.gz NINWNWMXCCTENU-CQSZACIVSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@@H]([NH2+]CC(C)(C)CO)c1ccccc1[O-] ZINC000122010050 582842440 /nfs/dbraw/zinc/84/24/40/582842440.db2.gz JJFGHDHCWADRCG-SNVBAGLBSA-N 0 3 223.316 2.061 20 10 BECDHN CC[C@@H]([NH2+][C@@H](C)CNC)c1ccc(F)cc1[O-] ZINC000854232809 588781653 /nfs/dbraw/zinc/78/16/53/588781653.db2.gz UUOAHQMGJLLVSJ-JOYOIKCWSA-N 0 3 240.322 2.180 20 10 BECDHN CC[C@@H](N[C@@H](C)C[NH2+]C)c1ccc(F)cc1[O-] ZINC000854232809 588781654 /nfs/dbraw/zinc/78/16/54/588781654.db2.gz UUOAHQMGJLLVSJ-JOYOIKCWSA-N 0 3 240.322 2.180 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C/C=C/CO)c([O-])c1C ZINC000850510266 582923591 /nfs/dbraw/zinc/92/35/91/582923591.db2.gz WYTGRPFFUNKXHL-ITKZLYELSA-N 0 3 235.327 2.208 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1[O-] ZINC000857060524 588884571 /nfs/dbraw/zinc/88/45/71/588884571.db2.gz ASTGYYBLIJAXSN-FZMZJTMJSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1[O-] ZINC000857060524 588884572 /nfs/dbraw/zinc/88/45/72/588884572.db2.gz ASTGYYBLIJAXSN-FZMZJTMJSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000877462079 583314377 /nfs/dbraw/zinc/31/43/77/583314377.db2.gz NOBJVSUAZWYRAV-CQSZACIVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000877462079 583314378 /nfs/dbraw/zinc/31/43/78/583314378.db2.gz NOBJVSUAZWYRAV-CQSZACIVSA-N 0 3 249.354 2.293 20 10 BECDHN C[C@@H]1OCC[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000878241896 583368038 /nfs/dbraw/zinc/36/80/38/583368038.db2.gz JPZOQRFSRDSPEO-RYUDHWBXSA-N 0 3 235.327 2.249 20 10 BECDHN C[C@@H]1OCC[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000878241896 583368039 /nfs/dbraw/zinc/36/80/39/583368039.db2.gz JPZOQRFSRDSPEO-RYUDHWBXSA-N 0 3 235.327 2.249 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H](CO)CC1CCC1 ZINC000894837260 583529269 /nfs/dbraw/zinc/52/92/69/583529269.db2.gz ZBUBTTUQPRJRJC-CYBMUJFWSA-N 0 3 249.354 2.341 20 10 BECDHN COc1ccc(CNC[C@H]2CC(C)=NO2)cc1C ZINC000895312534 583648506 /nfs/dbraw/zinc/64/85/06/583648506.db2.gz XKKIUVZCDOIQSR-CYBMUJFWSA-N 0 3 248.326 2.258 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CC2CSC2)cc1C ZINC000895421717 583672877 /nfs/dbraw/zinc/67/28/77/583672877.db2.gz VMRBMZPJKRFYKC-UHFFFAOYSA-N 0 3 237.368 2.462 20 10 BECDHN Cc1ccc(C[NH2+]CC2CSC2)c([O-])c1 ZINC000895424151 583673948 /nfs/dbraw/zinc/67/39/48/583673948.db2.gz PBSOZUQRDXHZPO-UHFFFAOYSA-N 0 3 223.341 2.153 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c([O-])c1 ZINC000895776683 583725773 /nfs/dbraw/zinc/72/57/73/583725773.db2.gz JMHHOAMIHSGSQL-BETUJISGSA-N 0 3 249.379 2.495 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c([O-])c1 ZINC000895776683 583725775 /nfs/dbraw/zinc/72/57/75/583725775.db2.gz JMHHOAMIHSGSQL-BETUJISGSA-N 0 3 249.379 2.495 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779146 583726358 /nfs/dbraw/zinc/72/63/58/583726358.db2.gz LPARUMOWNHPHRG-TXEJJXNPSA-N 0 3 249.379 2.495 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000895779146 583726360 /nfs/dbraw/zinc/72/63/60/583726360.db2.gz LPARUMOWNHPHRG-TXEJJXNPSA-N 0 3 249.379 2.495 20 10 BECDHN COc1cccc([O-])c1C[N@H+](C)CCCF ZINC000895897839 583741102 /nfs/dbraw/zinc/74/11/02/583741102.db2.gz FBDSAAQOCDCJJI-UHFFFAOYSA-N 0 3 227.279 2.192 20 10 BECDHN COc1cccc([O-])c1C[N@@H+](C)CCCF ZINC000895897839 583741103 /nfs/dbraw/zinc/74/11/03/583741103.db2.gz FBDSAAQOCDCJJI-UHFFFAOYSA-N 0 3 227.279 2.192 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCO[C@@H](C)CC1 ZINC000896577762 583814843 /nfs/dbraw/zinc/81/48/43/583814843.db2.gz OMPUCGOYVQYPAL-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCO[C@@H](C)CC1 ZINC000896577762 583814844 /nfs/dbraw/zinc/81/48/44/583814844.db2.gz OMPUCGOYVQYPAL-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCN2C)cc1C ZINC000858235765 588939840 /nfs/dbraw/zinc/93/98/40/588939840.db2.gz QREZKRGPOLLIEP-CQSZACIVSA-N 0 3 248.370 2.193 20 10 BECDHN Cc1ccc(O)c(CNCc2ccc(CO)o2)c1 ZINC000858238076 588940021 /nfs/dbraw/zinc/94/00/21/588940021.db2.gz TYWMNTXHZVTUKW-UHFFFAOYSA-N 0 3 247.294 2.076 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000898380559 584115122 /nfs/dbraw/zinc/11/51/22/584115122.db2.gz QOBOYNLLLWCCGU-KBPBESRZSA-N 0 3 247.338 2.215 20 10 BECDHN CCCNCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841046424 584124221 /nfs/dbraw/zinc/12/42/21/584124221.db2.gz FQQQZXWANVNKEM-UHFFFAOYSA-N 0 3 242.750 2.135 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c([O-])c1C ZINC000858543062 588964181 /nfs/dbraw/zinc/96/41/81/588964181.db2.gz DQRSTXFVAHNYIC-UPJWGTAASA-N 0 3 249.354 2.431 20 10 BECDHN CC[C@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C)cc1[O-] ZINC000903315916 584749424 /nfs/dbraw/zinc/74/94/24/584749424.db2.gz AFCAURFNBPZJND-JSGCOSHPSA-N 0 3 248.370 2.445 20 10 BECDHN C[C@H]([NH2+]CC[C@@H](O)C1CC1)c1ccccc1[O-] ZINC000903409492 584759618 /nfs/dbraw/zinc/75/96/18/584759618.db2.gz XTMJCGWVEKHXEU-GXFFZTMASA-N 0 3 235.327 2.204 20 10 BECDHN C[C@H]([NH2+][C@H]1COC[C@H]1C1CC1)c1ccccc1[O-] ZINC000903438802 584762491 /nfs/dbraw/zinc/76/24/91/584762491.db2.gz XFVABJJJKDFEOU-BPNCWPANSA-N 0 3 247.338 2.468 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000877062960 584889418 /nfs/dbraw/zinc/88/94/18/584889418.db2.gz AAEHSJWPLHXJJM-AAEUAGOBSA-N 0 3 235.327 2.215 20 10 BECDHN CN(C)c1ccc(CN2C[C@@H]3C[C@H]2CS3)cc1 ZINC000839190817 585097428 /nfs/dbraw/zinc/09/74/28/585097428.db2.gz DANSSWYOGSXRGF-KBPBESRZSA-N 0 3 248.395 2.442 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839190772 585097585 /nfs/dbraw/zinc/09/75/85/585097585.db2.gz AUMGIFFHMXHIES-QWRGUYRKSA-N 0 3 239.315 2.221 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839190772 585097586 /nfs/dbraw/zinc/09/75/86/585097586.db2.gz AUMGIFFHMXHIES-QWRGUYRKSA-N 0 3 239.315 2.221 20 10 BECDHN COc1ccc(C[NH2+]Cc2cccn2C)c([O-])c1 ZINC000743498236 585137620 /nfs/dbraw/zinc/13/76/20/585137620.db2.gz NCNJBFJJEQWZNW-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCOC2)c([O-])c1C ZINC000756769821 585322862 /nfs/dbraw/zinc/32/28/62/585322862.db2.gz QYFFECQQWGJNQT-NWDGAFQWSA-N 0 3 235.327 2.449 20 10 BECDHN COCC1([NH2+][C@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756849834 585324285 /nfs/dbraw/zinc/32/42/85/585324285.db2.gz FYOLZZXIXFJGQZ-SECBINFHSA-N 0 3 239.290 2.361 20 10 BECDHN CN(C)CCOc1ccc(N(C)CC2CC2)cc1 ZINC000761220580 585412501 /nfs/dbraw/zinc/41/25/01/585412501.db2.gz GZVSTKSJRLAZHT-UHFFFAOYSA-N 0 3 248.370 2.473 20 10 BECDHN CCN(C)c1ccc(CN(CCO)C2CC2)cc1 ZINC000773731264 585642838 /nfs/dbraw/zinc/64/28/38/585642838.db2.gz SWTYHZNUQBWFKT-UHFFFAOYSA-N 0 3 248.370 2.099 20 10 BECDHN CC(C)[C@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000775763251 585684307 /nfs/dbraw/zinc/68/43/07/585684307.db2.gz FKBLJHNMDDUWNT-LLVKDONJSA-N 0 3 249.310 2.351 20 10 BECDHN CC(C)[C@H]1CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000775763251 585684308 /nfs/dbraw/zinc/68/43/08/585684308.db2.gz FKBLJHNMDDUWNT-LLVKDONJSA-N 0 3 249.310 2.351 20 10 BECDHN CC[C@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000775786843 585684957 /nfs/dbraw/zinc/68/49/57/585684957.db2.gz XGSGAOWGLGFAIS-VIFPVBQESA-N 0 3 239.315 2.298 20 10 BECDHN COc1cc([O-])c(C[NH2+]C2CC=CC2)cc1OC ZINC000776250030 585693847 /nfs/dbraw/zinc/69/38/47/585693847.db2.gz CWQLCSCJAPBXDF-UHFFFAOYSA-N 0 3 249.310 2.218 20 10 BECDHN CCN1C[C@@H](C)[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000779017776 585743940 /nfs/dbraw/zinc/74/39/40/585743940.db2.gz BPIOVKMFFPRZPP-CHWSQXEVSA-N 0 3 248.370 2.307 20 10 BECDHN CCN1C[C@@H](C)[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000779017776 585743941 /nfs/dbraw/zinc/74/39/41/585743941.db2.gz BPIOVKMFFPRZPP-CHWSQXEVSA-N 0 3 248.370 2.307 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1CC=CCC1 ZINC000779159371 585746332 /nfs/dbraw/zinc/74/63/32/585746332.db2.gz GWNZNIGPLJNNKN-UHFFFAOYSA-N 0 3 207.248 2.293 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC=CCC1 ZINC000779159371 585746333 /nfs/dbraw/zinc/74/63/33/585746333.db2.gz GWNZNIGPLJNNKN-UHFFFAOYSA-N 0 3 207.248 2.293 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CCO)cc1C ZINC000779202627 585747221 /nfs/dbraw/zinc/74/72/21/585747221.db2.gz QSPQVSKHMGSATJ-CQSZACIVSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2CCO)cc1C ZINC000779202627 585747222 /nfs/dbraw/zinc/74/72/22/585747222.db2.gz QSPQVSKHMGSATJ-CQSZACIVSA-N 0 3 249.354 2.356 20 10 BECDHN C[C@@H]([NH2+]C[C@H](C1CC1)N(C)C)c1ccccc1[O-] ZINC000783502935 585835823 /nfs/dbraw/zinc/83/58/23/585835823.db2.gz BWLUHIMXXXHFFW-BXUZGUMPSA-N 0 3 248.370 2.383 20 10 BECDHN C[C@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccccc1[O-] ZINC000783502937 585835856 /nfs/dbraw/zinc/83/58/56/585835856.db2.gz BWLUHIMXXXHFFW-FZMZJTMJSA-N 0 3 248.370 2.383 20 10 BECDHN Cc1cccc(C[N@@H+]2CCOCC3(CC3)C2)c1[O-] ZINC000783599517 585837859 /nfs/dbraw/zinc/83/78/59/585837859.db2.gz QWDBWVOXYWMMTR-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc(C[N@H+]2CCOCC3(CC3)C2)c1[O-] ZINC000783599517 585837860 /nfs/dbraw/zinc/83/78/60/585837860.db2.gz QWDBWVOXYWMMTR-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000785988376 585884668 /nfs/dbraw/zinc/88/46/68/585884668.db2.gz MPBMLPUDKQYWMZ-BZPMIXESSA-N 0 3 249.354 2.374 20 10 BECDHN C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[O-] ZINC000785988376 585884669 /nfs/dbraw/zinc/88/46/69/585884669.db2.gz MPBMLPUDKQYWMZ-BZPMIXESSA-N 0 3 249.354 2.374 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@]2(C)CO)c1 ZINC000789557069 585944010 /nfs/dbraw/zinc/94/40/10/585944010.db2.gz FUQQNKSCIFFMBT-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@]2(C)CO)c1 ZINC000789557069 585944011 /nfs/dbraw/zinc/94/40/11/585944011.db2.gz FUQQNKSCIFFMBT-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN COc1cccc([O-])c1C[NH+]1CC(C(C)C)C1 ZINC000793190600 586013778 /nfs/dbraw/zinc/01/37/78/586013778.db2.gz UPUBVSRFDWCCTE-UHFFFAOYSA-N 0 3 235.327 2.489 20 10 BECDHN Cc1ccc(O)c(C[NH2+]Cc2ncccc2[O-])c1 ZINC000793255258 586015345 /nfs/dbraw/zinc/01/53/45/586015345.db2.gz FLPQGOCHQAMIQA-UHFFFAOYSA-N 0 3 244.294 2.091 20 10 BECDHN CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C)cc1[O-] ZINC000794804383 586049365 /nfs/dbraw/zinc/04/93/65/586049365.db2.gz DSKJCWZTQDQCQF-GXTWGEPZSA-N 0 3 248.370 2.445 20 10 BECDHN CC1CN(Cc2ccc(N(C)C)cc2)C1 ZINC000802651680 586307771 /nfs/dbraw/zinc/30/77/71/586307771.db2.gz WVOSAKAQEJGWGG-UHFFFAOYSA-N 0 3 204.317 2.204 20 10 BECDHN COC[C@H]1CCN1Cc1cc2c(cc1O)CCC2 ZINC000840082862 586423426 /nfs/dbraw/zinc/42/34/26/586423426.db2.gz KPCLNQHUTUQWGT-CQSZACIVSA-N 0 3 247.338 2.102 20 10 BECDHN COC[C@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000840082862 586423428 /nfs/dbraw/zinc/42/34/28/586423428.db2.gz KPCLNQHUTUQWGT-CQSZACIVSA-N 0 3 247.338 2.102 20 10 BECDHN COC[C@H]1CC[N@H+]1Cc1cc2c(cc1[O-])CCC2 ZINC000840082862 586423430 /nfs/dbraw/zinc/42/34/30/586423430.db2.gz KPCLNQHUTUQWGT-CQSZACIVSA-N 0 3 247.338 2.102 20 10 BECDHN COc1cccc(C[NH+]2CC(C3CC3)C2)c1[O-] ZINC000812775057 586583477 /nfs/dbraw/zinc/58/34/77/586583477.db2.gz DSNWHAQQZHPKLW-UHFFFAOYSA-N 0 3 233.311 2.243 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC(C2CC2)C1 ZINC000812775143 586583982 /nfs/dbraw/zinc/58/39/82/586583982.db2.gz HHIYFMAOVPJORG-UHFFFAOYSA-N 0 3 203.285 2.234 20 10 BECDHN Cc1cc(CN(CCO)C2CC2)ccc1N(C)C ZINC000815017673 586664711 /nfs/dbraw/zinc/66/47/11/586664711.db2.gz SAXXRRUYUGVQBK-UHFFFAOYSA-N 0 3 248.370 2.018 20 10 BECDHN CC[C@@H]1CN(C)CC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000816660379 586753370 /nfs/dbraw/zinc/75/33/70/586753370.db2.gz BHPHNKSMRIIOKQ-CQSZACIVSA-N 0 3 248.370 2.227 20 10 BECDHN CC[C@@H]1CN(C)CC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000816660379 586753372 /nfs/dbraw/zinc/75/33/72/586753372.db2.gz BHPHNKSMRIIOKQ-CQSZACIVSA-N 0 3 248.370 2.227 20 10 BECDHN CCNCC[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000817951624 586848041 /nfs/dbraw/zinc/84/80/41/586848041.db2.gz HSIIAZGBWWJETB-LBPRGKRZSA-N 0 3 240.322 2.182 20 10 BECDHN CC[NH2+]CCN[C@@H](CC)c1ccc(F)cc1[O-] ZINC000817951624 586848043 /nfs/dbraw/zinc/84/80/43/586848043.db2.gz HSIIAZGBWWJETB-LBPRGKRZSA-N 0 3 240.322 2.182 20 10 BECDHN Cc1ccc([C@H](C)NC[C@H]2CCC[NH2+]2)c([O-])c1 ZINC000817951449 586848134 /nfs/dbraw/zinc/84/81/34/586848134.db2.gz FVMJWSVXOIDAEW-NWDGAFQWSA-N 0 3 234.343 2.103 20 10 BECDHN CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000817952857 586848503 /nfs/dbraw/zinc/84/85/03/586848503.db2.gz VNXDVQMYBBDVJJ-WCQYABFASA-N 0 3 234.343 2.185 20 10 BECDHN CC[C@H](NC[C@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000817952858 586848701 /nfs/dbraw/zinc/84/87/01/586848701.db2.gz VNXDVQMYBBDVJJ-YPMHNXCESA-N 0 3 234.343 2.185 20 10 BECDHN CC[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C)cc1[O-] ZINC000817959728 586851429 /nfs/dbraw/zinc/85/14/29/586851429.db2.gz HRHADEZKKOVLGS-KBPBESRZSA-N 0 3 248.370 2.479 20 10 BECDHN C[C@H]([NH2+]CC(C)(C)N)c1cc(F)cc(F)c1[O-] ZINC000817961180 586851814 /nfs/dbraw/zinc/85/18/14/586851814.db2.gz YKBYUIOHFRDFIL-ZETCQYMHSA-N 0 3 244.285 2.058 20 10 BECDHN C[C@H](NCC(C)(C)[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817961180 586851815 /nfs/dbraw/zinc/85/18/15/586851815.db2.gz YKBYUIOHFRDFIL-ZETCQYMHSA-N 0 3 244.285 2.058 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CN)c1[O-] ZINC000817966648 586854677 /nfs/dbraw/zinc/85/46/77/586854677.db2.gz SIKOJCWTLAFYLM-RKDXNWHRSA-N 0 3 242.750 2.352 20 10 BECDHN CC[C@H]([NH2+][C@H](C)CN)c1cc(Cl)ccc1[O-] ZINC000817965731 586855389 /nfs/dbraw/zinc/85/53/89/586855389.db2.gz BXHMUWZUSWTMIF-KCJUWKMLSA-N 0 3 242.750 2.434 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)CN)c1cc(Cl)ccc1[O-] ZINC000817970059 586856326 /nfs/dbraw/zinc/85/63/26/586856326.db2.gz KMYRDDDYHVFUGD-JGVFFNPUSA-N 0 3 228.723 2.043 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CCNC[C@H]1C)c1ccccc1[O-] ZINC000817970855 586857238 /nfs/dbraw/zinc/85/72/38/586857238.db2.gz GGXBWYUZZDXXCN-KWCYVHTRSA-N 0 3 248.370 2.431 20 10 BECDHN C[C@@H](CN)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817970341 586857427 /nfs/dbraw/zinc/85/74/27/586857427.db2.gz RPXGPSQDJMQBPL-KHQFGBGNSA-N 0 3 238.306 2.016 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)N)c1ccc(C)cc1[O-] ZINC000817971658 586859799 /nfs/dbraw/zinc/85/97/99/586859799.db2.gz GAQGPGWQOAXZCJ-PWSUYJOCSA-N 0 3 222.332 2.089 20 10 BECDHN CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1[O-])[C@H](C)O ZINC000824922269 587293728 /nfs/dbraw/zinc/29/37/28/587293728.db2.gz ZGMFHPBBSIRNHA-WCQYABFASA-N 0 3 237.343 2.258 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CCC2(CO)CC2)cc1C ZINC000825041048 587300005 /nfs/dbraw/zinc/30/00/05/587300005.db2.gz ZTZRXNCLJASICX-UHFFFAOYSA-N 0 3 249.354 2.261 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)cc1C ZINC000825316975 587314781 /nfs/dbraw/zinc/31/47/81/587314781.db2.gz ZSRLINQOKOZRFC-YGRLFVJLSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2C[C@H](C)C[C@H](O)C2)cc1C ZINC000825316975 587314783 /nfs/dbraw/zinc/31/47/83/587314783.db2.gz ZSRLINQOKOZRFC-YGRLFVJLSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1[O-] ZINC000827365120 587378486 /nfs/dbraw/zinc/37/84/86/587378486.db2.gz KAJITAOHSMJPOD-STQMWFEESA-N 0 3 247.338 2.094 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c1[O-] ZINC000827365117 587378501 /nfs/dbraw/zinc/37/85/01/587378501.db2.gz KAJITAOHSMJPOD-OLZOCXBDSA-N 0 3 247.338 2.094 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000827489660 587382569 /nfs/dbraw/zinc/38/25/69/587382569.db2.gz TZRBGPKTTDRFOH-DABQJJPHSA-N 0 3 233.311 2.289 20 10 BECDHN COc1ccc(CNC2([C@H](C)O)CC2)cc1C ZINC000827579929 587390038 /nfs/dbraw/zinc/39/00/38/587390038.db2.gz LTYFMOMXGJZFPT-NSHDSACASA-N 0 3 235.327 2.007 20 10 BECDHN CO[C@@]1(C)C[C@H]1NCc1ccc(N(C)C)cc1C ZINC000827715213 587398912 /nfs/dbraw/zinc/39/89/12/587398912.db2.gz JUODUXFASLBZRN-CABCVRRESA-N 0 3 248.370 2.328 20 10 BECDHN CCC[N@H+](CC[C@@H](C)O)Cc1ccccc1[O-] ZINC000827938032 587411444 /nfs/dbraw/zinc/41/14/44/587411444.db2.gz HXJJGSNNHBOEAA-GFCCVEGCSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[N@@H+](CC[C@@H](C)O)Cc1ccccc1[O-] ZINC000827938032 587411446 /nfs/dbraw/zinc/41/14/46/587411446.db2.gz HXJJGSNNHBOEAA-GFCCVEGCSA-N 0 3 237.343 2.375 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CCO)C1CC1)CC2 ZINC000834669394 587763603 /nfs/dbraw/zinc/76/36/03/587763603.db2.gz XLXVZEFNGIMUPR-QWHCGFSZSA-N 0 3 247.338 2.130 20 10 BECDHN CO[C@H](C)CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835049995 587779789 /nfs/dbraw/zinc/77/97/89/587779789.db2.gz LGDBHXVFWMKOND-CFHLNLSMSA-N 0 3 248.370 2.390 20 10 BECDHN Cc1cc(N(C)C)ccc1CN(CCO)C1CC1 ZINC000840909807 587929208 /nfs/dbraw/zinc/92/92/08/587929208.db2.gz HYGUFIVFRDKBIB-UHFFFAOYSA-N 0 3 248.370 2.018 20 10 BECDHN NC1(C[NH2+]Cc2cc(Cl)ccc2[O-])CCC1 ZINC000841051057 587939758 /nfs/dbraw/zinc/93/97/58/587939758.db2.gz NKEPFGCGNVTMIK-UHFFFAOYSA-N 0 3 240.734 2.017 20 10 BECDHN CC[NH2+][C@H](C)CNCc1c([O-])cccc1Cl ZINC000841066497 587942794 /nfs/dbraw/zinc/94/27/94/587942794.db2.gz UEXUIFVPAAIUJN-SECBINFHSA-N 0 3 242.750 2.133 20 10 BECDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@H](C)N)c1[O-] ZINC000841076925 587944304 /nfs/dbraw/zinc/94/43/04/587944304.db2.gz UANHOJHKKOXEIG-DTWKUNHWSA-N 0 3 242.750 2.179 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCc2cscn2)c1 ZINC000104447537 587972782 /nfs/dbraw/zinc/97/27/82/587972782.db2.gz YJCSZQVFXLAJPJ-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(F)ccc1[O-] ZINC000841760089 587974198 /nfs/dbraw/zinc/97/41/98/587974198.db2.gz SUJJVKIQQUUOAZ-JQEORGNBSA-N 0 3 239.290 2.095 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841758494 587974387 /nfs/dbraw/zinc/97/43/87/587974387.db2.gz ICYKGWVSSKRBOO-COPLHBTASA-N 0 3 235.327 2.265 20 10 BECDHN CCCC[C@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000842746605 588058772 /nfs/dbraw/zinc/05/87/72/588058772.db2.gz MOIGJROOMJTLCD-CQSZACIVSA-N 0 3 237.343 2.423 20 10 BECDHN CCC[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846139228 588258309 /nfs/dbraw/zinc/25/83/09/588258309.db2.gz XVOMKMSOVNKMGQ-SECBINFHSA-N 0 3 209.289 2.461 20 10 BECDHN COC[C@@H](C)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846137893 588258464 /nfs/dbraw/zinc/25/84/64/588258464.db2.gz NRMMQKHOLVPCTD-NXEZZACHSA-N 0 3 239.315 2.086 20 10 BECDHN CCOCC[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846141362 588258540 /nfs/dbraw/zinc/25/85/40/588258540.db2.gz NVAJXHCOTIWXKU-SNVBAGLBSA-N 0 3 239.315 2.088 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@H](O)[C@H](CC)C2)c1[O-] ZINC000848891466 588417785 /nfs/dbraw/zinc/41/77/85/588417785.db2.gz YPFYFBSFSRJPNR-OCCSQVGLSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@H](O)[C@H](CC)C2)c1[O-] ZINC000848891466 588417786 /nfs/dbraw/zinc/41/77/86/588417786.db2.gz YPFYFBSFSRJPNR-OCCSQVGLSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+](C)CC2(O)CCC2)c1[O-] ZINC000848902191 588418347 /nfs/dbraw/zinc/41/83/47/588418347.db2.gz ATINSVLOUHDPLK-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+](C)CC2(O)CCC2)c1[O-] ZINC000848902191 588418348 /nfs/dbraw/zinc/41/83/48/588418348.db2.gz ATINSVLOUHDPLK-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[NH2+][C@@H](C)[C@H](C)OC)c1[O-] ZINC000848904912 588418416 /nfs/dbraw/zinc/41/84/16/588418416.db2.gz DHBDDJUVNGMVKH-QWRGUYRKSA-N 0 3 237.343 2.468 20 10 BECDHN Cc1cccc(C[N@@H+](C[C@@H](C)O)C2CC2)c1[O-] ZINC000848929090 588421752 /nfs/dbraw/zinc/42/17/52/588421752.db2.gz SSAUGUZOBVMQQE-LLVKDONJSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@H+](C[C@@H](C)O)C2CC2)c1[O-] ZINC000848929090 588421753 /nfs/dbraw/zinc/42/17/53/588421753.db2.gz SSAUGUZOBVMQQE-LLVKDONJSA-N 0 3 235.327 2.046 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@@H]1C=CCC1 ZINC000850358205 588539001 /nfs/dbraw/zinc/53/90/01/588539001.db2.gz KGHHVMJBEVKJQR-SNVBAGLBSA-N 0 3 219.284 2.209 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@H]1C=CCC1 ZINC000850358204 588539216 /nfs/dbraw/zinc/53/92/16/588539216.db2.gz KGHHVMJBEVKJQR-JTQLQIEISA-N 0 3 219.284 2.209 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)C2(CO)CC2)cc1C ZINC000850360557 588540451 /nfs/dbraw/zinc/54/04/51/588540451.db2.gz GGAQOLWUNNDMBY-LBPRGKRZSA-N 0 3 249.354 2.260 20 10 BECDHN C[C@H]([NH2+]C[C@H](CO)CC1CC1)c1ccccc1[O-] ZINC000850545496 588559238 /nfs/dbraw/zinc/55/92/38/588559238.db2.gz PFYATDGOFUMUBS-WCQYABFASA-N 0 3 249.354 2.451 20 10 BECDHN C[C@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccccc1[O-] ZINC000850545494 588559336 /nfs/dbraw/zinc/55/93/36/588559336.db2.gz PFYATDGOFUMUBS-AAEUAGOBSA-N 0 3 249.354 2.451 20 10 BECDHN CCc1cccc(C[N@H+](C)CC2(C)COC2)c1[O-] ZINC000862479138 589216999 /nfs/dbraw/zinc/21/69/99/589216999.db2.gz DMVZMOZFQPHQGU-UHFFFAOYSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1cccc(C[N@@H+](C)CC2(C)COC2)c1[O-] ZINC000862479138 589217000 /nfs/dbraw/zinc/21/70/00/589217000.db2.gz DMVZMOZFQPHQGU-UHFFFAOYSA-N 0 3 249.354 2.423 20 10 BECDHN CCN(CC[NH3+])Cc1c([O-])cc(C)cc1Cl ZINC000863644511 589306931 /nfs/dbraw/zinc/30/69/31/589306931.db2.gz YSBHCCQBENCHSI-UHFFFAOYSA-N 0 3 242.750 2.135 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c([O-])c1C ZINC000866415655 589491599 /nfs/dbraw/zinc/49/15/99/589491599.db2.gz BBOYVTAVFCXREJ-UPJWGTAASA-N 0 3 249.354 2.431 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)CO)c1 ZINC000122055092 589551841 /nfs/dbraw/zinc/55/18/41/589551841.db2.gz GNZJCMTUBURPAQ-NSHDSACASA-N 0 3 237.343 2.370 20 10 BECDHN CC[C@@H]([NH2+]CC1(CO)CC1)c1ccccc1[O-] ZINC000122342496 589582092 /nfs/dbraw/zinc/58/20/92/589582092.db2.gz SFHHPBHOKUNAIW-GFCCVEGCSA-N 0 3 235.327 2.205 20 10 BECDHN Cc1nccn1CCC[NH2+]Cc1ccccc1[O-] ZINC000207756389 589597478 /nfs/dbraw/zinc/59/74/78/589597478.db2.gz GLOGPRJLAOQDEU-UHFFFAOYSA-N 0 3 245.326 2.077 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c([O-])c1 ZINC000872127123 589876623 /nfs/dbraw/zinc/87/66/23/589876623.db2.gz PEJBZKNHSCQFEX-JHJVBQTASA-N 0 3 249.354 2.431 20 10 BECDHN CC[C@H]([NH2+][C@H](C)COC)c1ccccc1[O-] ZINC000019904911 590041055 /nfs/dbraw/zinc/04/10/55/590041055.db2.gz IBSWDDRGFXXXIS-PWSUYJOCSA-N 0 3 223.316 2.468 20 10 BECDHN CC[C@H]1COCCN1Cc1cccc(C)c1O ZINC000124554391 590050041 /nfs/dbraw/zinc/05/00/41/590050041.db2.gz KTAXFMYLYCOFLV-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CN(C)CCC[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000019958867 590055733 /nfs/dbraw/zinc/05/57/33/590055733.db2.gz SXPQWSPBUJKGRD-UHFFFAOYSA-N 0 3 242.750 2.087 20 10 BECDHN CO[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000124741409 590080323 /nfs/dbraw/zinc/08/03/23/590080323.db2.gz VYYSOTDULURGNW-CHWSQXEVSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000124846149 590094444 /nfs/dbraw/zinc/09/44/44/590094444.db2.gz OTBOHBLBBRMDBC-TZMCWYRMSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc(C[NH2+]C[C@]2(C)CCCO2)c1[O-] ZINC000124857333 590094784 /nfs/dbraw/zinc/09/47/84/590094784.db2.gz GSOXQOKUCRWUAO-AWEZNQCLSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(CN2CCOC(C)(C)C2)c(O)c1 ZINC000876612908 590222024 /nfs/dbraw/zinc/22/20/24/590222024.db2.gz AZPSQJWZAXFQJZ-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](N(C)C)C1 ZINC000876678048 590229648 /nfs/dbraw/zinc/22/96/48/590229648.db2.gz ALELWFDVRFPPAB-ZDUSSCGKSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](N(C)C)C1 ZINC000876678048 590229650 /nfs/dbraw/zinc/22/96/50/590229650.db2.gz ALELWFDVRFPPAB-ZDUSSCGKSA-N 0 3 248.370 2.227 20 10 BECDHN COC[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876725753 590233608 /nfs/dbraw/zinc/23/36/08/590233608.db2.gz PHQPZVLCWJPQDH-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876725753 590233610 /nfs/dbraw/zinc/23/36/10/590233610.db2.gz PHQPZVLCWJPQDH-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)CC1(O)CCCC1 ZINC000876747312 590236886 /nfs/dbraw/zinc/23/68/86/590236886.db2.gz AFPDWGBXUAMPCQ-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)CC1(O)CCCC1 ZINC000876747312 590236888 /nfs/dbraw/zinc/23/68/88/590236888.db2.gz AFPDWGBXUAMPCQ-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+]2CCCOC[C@H]2C)c([O-])c1 ZINC000876752565 590238201 /nfs/dbraw/zinc/23/82/01/590238201.db2.gz TUTQRAOXCNKTIG-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCOC[C@H]2C)c([O-])c1 ZINC000876752565 590238202 /nfs/dbraw/zinc/23/82/02/590238202.db2.gz TUTQRAOXCNKTIG-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN CCN1CCC([NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000876889331 590254542 /nfs/dbraw/zinc/25/45/42/590254542.db2.gz KJCSRBMSCNHLPG-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)c1ccco1 ZINC000876918145 590257107 /nfs/dbraw/zinc/25/71/07/590257107.db2.gz ZCPAJXLUGPKWMA-CYBMUJFWSA-N 0 3 247.294 2.117 20 10 BECDHN Cc1ccc(C[NH2+]CCc2cccnc2)c([O-])c1 ZINC000876922778 590257493 /nfs/dbraw/zinc/25/74/93/590257493.db2.gz KWGSCFUUWNANLP-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1ccc(C[NH2+]CC[C@H]2CCCO2)c([O-])c1 ZINC000876924540 590257827 /nfs/dbraw/zinc/25/78/27/590257827.db2.gz SHNVMDBAVQEHDP-CYBMUJFWSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@H]1C ZINC000876931198 590258282 /nfs/dbraw/zinc/25/82/82/590258282.db2.gz LCDOOYXYWSMZCH-MNOVXSKESA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1C[C@@H]1C ZINC000876931199 590258416 /nfs/dbraw/zinc/25/84/16/590258416.db2.gz LCDOOYXYWSMZCH-QWRGUYRKSA-N 0 3 205.301 2.446 20 10 BECDHN COC[C@@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000876987531 590265240 /nfs/dbraw/zinc/26/52/40/590265240.db2.gz ZVTCPWZDBSHDKP-JTQLQIEISA-N 0 3 223.316 2.073 20 10 BECDHN CCC(O)(CC)C[NH2+]Cc1c(C)cccc1[O-] ZINC000876989516 590265881 /nfs/dbraw/zinc/26/58/81/590265881.db2.gz WNWYFDMYPMVVNU-UHFFFAOYSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000877024063 590270528 /nfs/dbraw/zinc/27/05/28/590270528.db2.gz PKBKUOKKMDAFFP-GFCCVEGCSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCOC1 ZINC000877039123 590272932 /nfs/dbraw/zinc/27/29/32/590272932.db2.gz HSPMFYCCDOIZLY-CQSZACIVSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@](C)(O)C(C)C ZINC000877044448 590274008 /nfs/dbraw/zinc/27/40/08/590274008.db2.gz WZJGOGBOCJABLR-CQSZACIVSA-N 0 3 237.343 2.197 20 10 BECDHN COC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C(C)C ZINC000877044867 590274029 /nfs/dbraw/zinc/27/40/29/590274029.db2.gz JOUQDKRYKNMPJT-CYBMUJFWSA-N 0 3 237.343 2.461 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCOC1CCC1 ZINC000877068945 590277196 /nfs/dbraw/zinc/27/71/96/590277196.db2.gz DQTBDXIOYWZRKG-UHFFFAOYSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+]Cc2ccn(C)c2)c([O-])c1 ZINC000877081059 590279724 /nfs/dbraw/zinc/27/97/24/590279724.db2.gz WLKSCURTEPTUDO-UHFFFAOYSA-N 0 3 230.311 2.329 20 10 BECDHN CC[C@H](CCO)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877110846 590287109 /nfs/dbraw/zinc/28/71/09/590287109.db2.gz FCVQOAHHRAHXGJ-GFCCVEGCSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCN1CC[C@H](C)C1 ZINC000877154230 590293440 /nfs/dbraw/zinc/29/34/40/590293440.db2.gz NMSZFBHLIISHSN-LBPRGKRZSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CCC(C)(CO)CC1 ZINC000877361125 590318929 /nfs/dbraw/zinc/31/89/29/590318929.db2.gz QIZFPGQZXOXTAK-UHFFFAOYSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(O)c1CN1CCO[C@H](C2CC2)C1 ZINC000877423883 590325215 /nfs/dbraw/zinc/32/52/15/590325215.db2.gz NDEWXRDSRCAQQM-HNNXBMFYSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+](CC(C)(C)O)C2CC2)c([O-])c1 ZINC000877428329 590325722 /nfs/dbraw/zinc/32/57/22/590325722.db2.gz IIFJVVKIIGXBNI-UHFFFAOYSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@@H+](CC(C)(C)O)C2CC2)c([O-])c1 ZINC000877428329 590325724 /nfs/dbraw/zinc/32/57/24/590325724.db2.gz IIFJVVKIIGXBNI-UHFFFAOYSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H]2CCO)c([O-])c1 ZINC000877435118 590326857 /nfs/dbraw/zinc/32/68/57/590326857.db2.gz OEVJJTDFMAJCLM-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H]2CCO)c([O-])c1 ZINC000877435118 590326859 /nfs/dbraw/zinc/32/68/59/590326859.db2.gz OEVJJTDFMAJCLM-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCOCC(F)F ZINC000877467119 590333915 /nfs/dbraw/zinc/33/39/15/590333915.db2.gz BEJWQVFUJFUUMH-UHFFFAOYSA-N 0 3 245.269 2.072 20 10 BECDHN Cc1ccc(C[NH+]2CC([C@H]3CCOC3)C2)c([O-])c1 ZINC000877488246 590338391 /nfs/dbraw/zinc/33/83/91/590338391.db2.gz CYTBQVIJDQJFHR-ZDUSSCGKSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[NH2+]CCC2(O)CCC2)c([O-])c1 ZINC000877508274 590342962 /nfs/dbraw/zinc/34/29/62/590342962.db2.gz VSTRIOKMNIURMN-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCOC[C@H]1C ZINC000877520205 590346039 /nfs/dbraw/zinc/34/60/39/590346039.db2.gz PWYWILQXIWKAQZ-CHWSQXEVSA-N 0 3 249.354 2.463 20 10 BECDHN Cc1ccc(C[NH2+][C@H](CO)C2CCCC2)c([O-])c1 ZINC000877543000 590351900 /nfs/dbraw/zinc/35/19/00/590351900.db2.gz UYMOFAVSLGOWMS-CQSZACIVSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000877554554 590356567 /nfs/dbraw/zinc/35/65/67/590356567.db2.gz KGXDWXUWXRRMRK-GFCCVEGCSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](O)CC1 ZINC000877554554 590356570 /nfs/dbraw/zinc/35/65/70/590356570.db2.gz KGXDWXUWXRRMRK-GFCCVEGCSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CCCCO ZINC000877561014 590359632 /nfs/dbraw/zinc/35/96/32/590359632.db2.gz BEHBRHDEMLPVCX-GFCCVEGCSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877562426 590359721 /nfs/dbraw/zinc/35/97/21/590359721.db2.gz ZVUFAAOPNXCOGQ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1c(C)cccc1[O-] ZINC000877562426 590359723 /nfs/dbraw/zinc/35/97/23/590359723.db2.gz ZVUFAAOPNXCOGQ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877567912 590361976 /nfs/dbraw/zinc/36/19/76/590361976.db2.gz UNZBRTBHIZDAAK-TZMCWYRMSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2COCC2(C)C)c([O-])c1 ZINC000877572793 590362918 /nfs/dbraw/zinc/36/29/18/590362918.db2.gz LAOGTHMQJJJTPO-ZDUSSCGKSA-N 0 3 235.327 2.215 20 10 BECDHN CCC1(C[NH2+]Cc2ccc(C)cc2[O-])COC1 ZINC000877572018 590363110 /nfs/dbraw/zinc/36/31/10/590363110.db2.gz CZCPCBSMXASJRY-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](CCCO)C2)c([O-])c1 ZINC000877576048 590364105 /nfs/dbraw/zinc/36/41/05/590364105.db2.gz DJRCXBAXGTYHBU-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](CCCO)C2)c([O-])c1 ZINC000877576048 590364107 /nfs/dbraw/zinc/36/41/07/590364107.db2.gz DJRCXBAXGTYHBU-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000877579057 590364860 /nfs/dbraw/zinc/36/48/60/590364860.db2.gz RUOOJXCYVUBFLJ-VXGBXAGGSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C[C@H](C)O)C1CC1 ZINC000877621841 590375586 /nfs/dbraw/zinc/37/55/86/590375586.db2.gz XOQVMQBITYPZOZ-NSHDSACASA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C[C@H](C)O)C1CC1 ZINC000877621841 590375589 /nfs/dbraw/zinc/37/55/89/590375589.db2.gz XOQVMQBITYPZOZ-NSHDSACASA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1COC(C)(C)C1 ZINC000877619584 590375662 /nfs/dbraw/zinc/37/56/62/590375662.db2.gz FBYYLGLQGWQRNT-NSHDSACASA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1COC(C)(C)C1 ZINC000877619583 590376258 /nfs/dbraw/zinc/37/62/58/590376258.db2.gz FBYYLGLQGWQRNT-LLVKDONJSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C23CCC3)c([O-])c1 ZINC000877631085 590378213 /nfs/dbraw/zinc/37/82/13/590378213.db2.gz DZOQSWZMNAYSIR-KGLIPLIRSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000877640352 590381643 /nfs/dbraw/zinc/38/16/43/590381643.db2.gz LWYXVAKGJVAYEV-SWLSCSKDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000877640352 590381645 /nfs/dbraw/zinc/38/16/45/590381645.db2.gz LWYXVAKGJVAYEV-SWLSCSKDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c([O-])c1 ZINC000877640705 590383055 /nfs/dbraw/zinc/38/30/55/590383055.db2.gz QVOFAJNOBQLUCT-SWLSCSKDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c([O-])c1 ZINC000877640705 590383056 /nfs/dbraw/zinc/38/30/56/590383056.db2.gz QVOFAJNOBQLUCT-SWLSCSKDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c([O-])c1 ZINC000877646504 590383643 /nfs/dbraw/zinc/38/36/43/590383643.db2.gz JFYSBXTVUDKAKH-GXTWGEPZSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c([O-])c1 ZINC000877646504 590383646 /nfs/dbraw/zinc/38/36/46/590383646.db2.gz JFYSBXTVUDKAKH-GXTWGEPZSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+](C)CC2(C)COC2)c([O-])c1 ZINC000877652899 590384980 /nfs/dbraw/zinc/38/49/80/590384980.db2.gz PJJVMKKUZXTCEL-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@H+](C)CC2(C)COC2)c([O-])c1 ZINC000877652899 590384984 /nfs/dbraw/zinc/38/49/84/590384984.db2.gz PJJVMKKUZXTCEL-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c([O-])c1 ZINC000877657548 590385712 /nfs/dbraw/zinc/38/57/12/590385712.db2.gz FJQIETJQEMHAOP-UKRRQHHQSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000877658756 590386206 /nfs/dbraw/zinc/38/62/06/590386206.db2.gz WKYHPHRGKFBUMV-SWLSCSKDSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000877683293 590390872 /nfs/dbraw/zinc/39/08/72/590390872.db2.gz VSZZHPJQRRGDPF-GMXVVIOVSA-N 0 3 235.327 2.356 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000877683292 590390932 /nfs/dbraw/zinc/39/09/32/590390932.db2.gz VSZZHPJQRRGDPF-DMDPSCGWSA-N 0 3 235.327 2.356 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000877683295 590390960 /nfs/dbraw/zinc/39/09/60/590390960.db2.gz VSZZHPJQRRGDPF-NTZNESFSSA-N 0 3 235.327 2.356 20 10 BECDHN CC[C@]1(O)CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877690628 590393020 /nfs/dbraw/zinc/39/30/20/590393020.db2.gz DGSKPDQGCYJCNL-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@]1(O)CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877690628 590393021 /nfs/dbraw/zinc/39/30/21/590393021.db2.gz DGSKPDQGCYJCNL-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c([O-])c1 ZINC000877751680 590416168 /nfs/dbraw/zinc/41/61/68/590416168.db2.gz FXMRSZQCZINUBJ-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](O)CC(C)(C)C2)c([O-])c1 ZINC000877751680 590416169 /nfs/dbraw/zinc/41/61/69/590416169.db2.gz FXMRSZQCZINUBJ-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@@H](C)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000132027052 591683371 /nfs/dbraw/zinc/68/33/71/591683371.db2.gz KTMRAJSSWGUCIB-SECBINFHSA-N 0 3 237.299 2.351 20 10 BECDHN CC[C@@H](C)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000132027052 591683372 /nfs/dbraw/zinc/68/33/72/591683372.db2.gz KTMRAJSSWGUCIB-SECBINFHSA-N 0 3 237.299 2.351 20 10 BECDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCF)c1 ZINC000132111150 591687233 /nfs/dbraw/zinc/68/72/33/591687233.db2.gz GBQHPHZZLLPNID-VIFPVBQESA-N 0 3 227.279 2.411 20 10 BECDHN CC[C@H]1COCCN1Cc1cc(C)ccc1O ZINC000132332094 591701781 /nfs/dbraw/zinc/70/17/81/591701781.db2.gz MOAGNLCHLWNKGE-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CC1(C)CN(Cc2ccccc2O)CCO1 ZINC000132632123 591726306 /nfs/dbraw/zinc/72/63/06/591726306.db2.gz CJNJLHAHLVNGEV-UHFFFAOYSA-N 0 3 221.300 2.003 20 10 BECDHN COC1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000134661966 591946434 /nfs/dbraw/zinc/94/64/34/591946434.db2.gz RMWWLIDBWDMJLE-UHFFFAOYSA-N 0 3 221.300 2.051 20 10 BECDHN C[C@@H]1C[C@@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000134957925 591963363 /nfs/dbraw/zinc/96/33/63/591963363.db2.gz XJQQACHLYWFCSF-NXEZZACHSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000134957925 591963366 /nfs/dbraw/zinc/96/33/66/591963366.db2.gz XJQQACHLYWFCSF-NXEZZACHSA-N 0 3 249.310 2.351 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@@]12CCOC2 ZINC000886065361 592141564 /nfs/dbraw/zinc/14/15/64/592141564.db2.gz SPQOCVPPIHOWJN-UKRRQHHQSA-N 0 3 247.338 2.251 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@@]12CCOC2 ZINC000886065361 592141566 /nfs/dbraw/zinc/14/15/66/592141566.db2.gz SPQOCVPPIHOWJN-UKRRQHHQSA-N 0 3 247.338 2.251 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCF)CC2 ZINC000308911923 631721616 /nfs/dbraw/zinc/72/16/16/631721616.db2.gz XTIHDFXEQFEPSO-SNVBAGLBSA-N 0 3 209.264 2.329 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1(CO)CCCCC1 ZINC000053095920 632797681 /nfs/dbraw/zinc/79/76/81/632797681.db2.gz XUXHRMYCWYQIHQ-UHFFFAOYSA-N 0 3 235.327 2.177 20 10 BECDHN C[C@H](CO)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311177199 633081721 /nfs/dbraw/zinc/08/17/21/633081721.db2.gz VHYWGIZAQKGLTQ-AAEUAGOBSA-N 0 3 249.354 2.378 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC2(O)CCC2)c([O-])c1 ZINC000168763353 633147288 /nfs/dbraw/zinc/14/72/88/633147288.db2.gz IOWHNQXEYVWNGL-LLVKDONJSA-N 0 3 235.327 2.266 20 10 BECDHN COc1cccc([O-])c1C[NH2+]CC=C(C)C ZINC000309889928 633908678 /nfs/dbraw/zinc/90/86/78/633908678.db2.gz ZXLQMNRMXGAJRX-UHFFFAOYSA-N 0 3 221.300 2.457 20 10 BECDHN FC1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000309521381 633944016 /nfs/dbraw/zinc/94/40/16/633944016.db2.gz BKWYJCONOUJSGB-UHFFFAOYSA-N 0 3 221.275 2.213 20 10 BECDHN CC[C@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310250073 634099976 /nfs/dbraw/zinc/09/99/76/634099976.db2.gz JZYIDGUVNLOZOC-VXGBXAGGSA-N 0 3 235.327 2.130 20 10 BECDHN CC[C@@H]([NH2+]CCn1cccn1)c1ccccc1[O-] ZINC000042538927 637278091 /nfs/dbraw/zinc/27/80/91/637278091.db2.gz JKTZJIKNPFKWTN-CYBMUJFWSA-N 0 3 245.326 2.330 20 10 BECDHN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000164568624 640492099 /nfs/dbraw/zinc/49/20/99/640492099.db2.gz AFUCLBNMYZUPNF-DCAQKATOSA-N 0 3 223.316 2.202 20 10 BECDHN C[C@@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000167453479 640723185 /nfs/dbraw/zinc/72/31/85/640723185.db2.gz GLTWUXBGGHVFQA-IJLUTSLNSA-N 0 3 235.327 2.468 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccco1 ZINC000226582696 640779330 /nfs/dbraw/zinc/77/93/30/640779330.db2.gz KRITWJYELGJGRR-UHFFFAOYSA-N 0 3 235.258 2.457 20 10 BECDHN COC[C@@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111330 640845778 /nfs/dbraw/zinc/84/57/78/640845778.db2.gz XZVLXNWYTCWHMV-RKDXNWHRSA-N 0 3 227.279 2.217 20 10 BECDHN CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000227826414 640850736 /nfs/dbraw/zinc/85/07/36/640850736.db2.gz UGSKVKCVSBNJDF-OLZOCXBDSA-N 0 3 235.327 2.295 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230393252 641048793 /nfs/dbraw/zinc/04/87/93/641048793.db2.gz PWPQTUPGRJBKTB-SNVBAGLBSA-N 0 3 239.290 2.048 20 10 BECDHN COC1CC([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000230674344 641079907 /nfs/dbraw/zinc/07/99/07/641079907.db2.gz MZDIOWMOGVKEFV-KPPDAEKUSA-N 0 3 221.300 2.220 20 10 BECDHN CCO[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000155487205 641573662 /nfs/dbraw/zinc/57/36/62/641573662.db2.gz GJNZFOPKZPUQRZ-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CCO[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000155487205 641573667 /nfs/dbraw/zinc/57/36/67/641573667.db2.gz GJNZFOPKZPUQRZ-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN C[C@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000305855744 642709062 /nfs/dbraw/zinc/70/90/62/642709062.db2.gz BNNZQVHZOFMNKK-JOYOIKCWSA-N 0 3 239.290 2.046 20 10 BECDHN C[C@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000305855743 642709546 /nfs/dbraw/zinc/70/95/46/642709546.db2.gz BNNZQVHZOFMNKK-CABZTGNLSA-N 0 3 239.290 2.046 20 10 BECDHN C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179576923 642730557 /nfs/dbraw/zinc/73/05/57/642730557.db2.gz QUXXBCZVROKWKP-AAEUAGOBSA-N 0 3 235.327 2.128 20 10 BECDHN C[C@H](O)C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179576923 642730566 /nfs/dbraw/zinc/73/05/66/642730566.db2.gz QUXXBCZVROKWKP-AAEUAGOBSA-N 0 3 235.327 2.128 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)OC)c1ccccc1[O-] ZINC000182435743 643019601 /nfs/dbraw/zinc/01/96/01/643019601.db2.gz ZPGWMGKMBPIYHN-JQWIXIFHSA-N 0 3 223.316 2.468 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CCO)c([O-])c1 ZINC000097439709 643129919 /nfs/dbraw/zinc/12/99/19/643129919.db2.gz KCJAKFGUPZSGJY-RYUDHWBXSA-N 0 3 237.343 2.370 20 10 BECDHN CC(C)[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183509599 643140177 /nfs/dbraw/zinc/14/01/77/643140177.db2.gz KPNVJPJMJLQDFM-SMDDNHRTSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@@H]([NH2+]CC1(CO)CCC1)c1ccccc1[O-] ZINC000184531239 643216265 /nfs/dbraw/zinc/21/62/65/643216265.db2.gz PWDIXASCGLXMNI-LLVKDONJSA-N 0 3 235.327 2.205 20 10 BECDHN CO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000050369199 643691485 /nfs/dbraw/zinc/69/14/85/643691485.db2.gz FCQVNYPFPWGIER-DGCLKSJQSA-N 0 3 221.300 2.049 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccccc1[O-] ZINC000248580013 644689940 /nfs/dbraw/zinc/68/99/40/644689940.db2.gz VMQNPHJMSUEDAC-OUCADQQQSA-N 0 3 235.327 2.346 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccccc1[O-] ZINC000251507446 644807397 /nfs/dbraw/zinc/80/73/97/644807397.db2.gz HMIYMEKMLRXLPU-GMXVVIOVSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC=CO1 ZINC000877459587 645796641 /nfs/dbraw/zinc/79/66/41/645796641.db2.gz LHSYTUBGKQCWNE-GFCCVEGCSA-N 0 3 233.311 2.483 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@]2(C)CO)c([O-])c1 ZINC000877459761 645797192 /nfs/dbraw/zinc/79/71/92/645797192.db2.gz KLYMLYORDMAADA-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@]2(C)CO)c([O-])c1 ZINC000877459761 645797196 /nfs/dbraw/zinc/79/71/96/645797196.db2.gz KLYMLYORDMAADA-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN CCO[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877625645 645802955 /nfs/dbraw/zinc/80/29/55/645802955.db2.gz MEHHXKGGZCSVHH-HAQNSBGRSA-N 0 3 235.327 2.358 20 10 BECDHN C[C@H]([NH2+]C[C@@](C)(O)C(F)F)c1ccccc1[O-] ZINC000705015434 712121917 /nfs/dbraw/zinc/12/19/17/712121917.db2.gz TUJSCSDMHOOEKF-QPUJVOFHSA-N 0 3 245.269 2.059 20 10 BECDHN CC[C@H](C[C@@H](C)O)[NH2+]Cc1ccccc1[O-] ZINC000716955672 712599701 /nfs/dbraw/zinc/59/97/01/712599701.db2.gz QVKDUJYLKNGQHN-ZYHUDNBSSA-N 0 3 223.316 2.031 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCCOC(F)F ZINC000381554779 710654620 /nfs/dbraw/zinc/65/46/20/710654620.db2.gz OFTVWFUBZHEWJO-UHFFFAOYSA-N 0 3 231.242 2.111 20 10 BECDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](C)F ZINC000382162020 710800945 /nfs/dbraw/zinc/80/09/45/710800945.db2.gz SXSFAAWIPCSWQS-SECBINFHSA-N 0 3 227.279 2.239 20 10 BECDHN CO[C@H]([C@@H](C)[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000388349226 711058687 /nfs/dbraw/zinc/05/86/87/711058687.db2.gz NSQOWSKUZDYCIE-QMTHXVAHSA-N 0 3 235.327 2.295 20 10 BECDHN CC(C)(O)C(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000393623445 711167234 /nfs/dbraw/zinc/16/72/34/711167234.db2.gz TTWCMUZXRJRPCD-UHFFFAOYSA-N 0 3 237.343 2.279 20 10 BECDHN CCC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)COC1 ZINC000393960615 711180284 /nfs/dbraw/zinc/18/02/84/711180284.db2.gz DOGDZEFEOSWJHL-GFCCVEGCSA-N 0 3 247.338 2.396 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)C(C)(C)O)c1cc(F)ccc1[O-] ZINC000393968026 711180384 /nfs/dbraw/zinc/18/03/84/711180384.db2.gz GUULXRILAXOEKK-BDAKNGLRSA-N 0 3 241.306 2.341 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC1(CO)CC1)CC2 ZINC000395939986 711217177 /nfs/dbraw/zinc/21/71/77/711217177.db2.gz OULPHAMSRFNYLL-LBPRGKRZSA-N 0 3 247.338 2.132 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCCO)c1[O-] ZINC000381786394 710714935 /nfs/dbraw/zinc/71/49/35/710714935.db2.gz YXDLOPPCAWBYTC-SECBINFHSA-N 0 3 243.734 2.387 20 10 BECDHN Cc1ccc(O)c(CNCc2ccc(C)nn2)c1 ZINC000396708959 711367680 /nfs/dbraw/zinc/36/76/80/711367680.db2.gz PVTNKXHXQOILFV-UHFFFAOYSA-N 0 3 243.310 2.089 20 10 BECDHN C[C@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOC1 ZINC000397160226 711377806 /nfs/dbraw/zinc/37/78/06/711377806.db2.gz SNQYIZVQNCCYFG-IUODEOHRSA-N 0 3 247.338 2.396 20 10 BECDHN COCCC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000397865119 711393670 /nfs/dbraw/zinc/39/36/70/711393670.db2.gz GBAWVKOOZLBFHV-UHFFFAOYSA-N 0 3 241.306 2.436 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725087783 711651315 /nfs/dbraw/zinc/65/13/15/711651315.db2.gz JEJOJMHUODMOGR-AWEZNQCLSA-N 0 3 249.354 2.423 20 10 BECDHN CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000702007110 712035654 /nfs/dbraw/zinc/03/56/54/712035654.db2.gz KHAUUYPOCZRWRE-CYBMUJFWSA-N 0 3 248.370 2.355 20 10 BECDHN CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000702007112 712035688 /nfs/dbraw/zinc/03/56/88/712035688.db2.gz KHAUUYPOCZRWRE-ZDUSSCGKSA-N 0 3 248.370 2.355 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCC1CC(O)C1)CC2 ZINC000702437269 712053308 /nfs/dbraw/zinc/05/33/08/712053308.db2.gz RRPPLDCGWJNIKT-GDKBPFBDSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H]([NH2+]CCC1CC(O)C1)c1ccccc1[O-] ZINC000702439706 712053328 /nfs/dbraw/zinc/05/33/28/712053328.db2.gz HTBHWOFOMYGDOK-UNXYVOJBSA-N 0 3 235.327 2.204 20 10 BECDHN C[C@@H](F)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000702641880 712058018 /nfs/dbraw/zinc/05/80/18/712058018.db2.gz OAMFCRFGBIKLNG-MRVPVSSYSA-N 0 3 215.243 2.369 20 10 BECDHN CO[C@H]1C[C@H]([NH2+][C@H](C)c2cc(F)ccc2[O-])C1 ZINC000706533176 712149276 /nfs/dbraw/zinc/14/92/76/712149276.db2.gz DVXZRJFRWAUOIZ-FBIMIBRVSA-N 0 3 239.290 2.359 20 10 BECDHN CC[C@@]1(C)COCCN1Cc1ccccc1O ZINC000708286165 712185399 /nfs/dbraw/zinc/18/53/99/712185399.db2.gz DUQICNKWFODKOW-AWEZNQCLSA-N 0 3 235.327 2.393 20 10 BECDHN CC[C@@]1(C)COCC[N@@H+]1Cc1ccccc1[O-] ZINC000708286165 712185400 /nfs/dbraw/zinc/18/54/00/712185400.db2.gz DUQICNKWFODKOW-AWEZNQCLSA-N 0 3 235.327 2.393 20 10 BECDHN CC[C@@]1(C)COCC[N@H+]1Cc1ccccc1[O-] ZINC000708286165 712185402 /nfs/dbraw/zinc/18/54/02/712185402.db2.gz DUQICNKWFODKOW-AWEZNQCLSA-N 0 3 235.327 2.393 20 10 BECDHN CN(Cc1c([O-])cccc1Cl)CC(C)(C)[NH3+] ZINC000709262497 712218641 /nfs/dbraw/zinc/21/86/41/712218641.db2.gz SJXQQLFJSGBEMQ-UHFFFAOYSA-N 0 3 242.750 2.215 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC12CC2 ZINC000715258663 712514744 /nfs/dbraw/zinc/51/47/44/712514744.db2.gz YPWQJDJCUUCDRZ-NSHDSACASA-N 0 3 207.248 2.173 20 10 BECDHN C[C@H]([NH2+]CC[C@@H](O)C(F)F)c1ccccc1[O-] ZINC000716714023 712570725 /nfs/dbraw/zinc/57/07/25/712570725.db2.gz SJFNXCVGVLRRQR-GZMMTYOYSA-N 0 3 245.269 2.059 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H]2C)c([O-])c1 ZINC000719558669 712809235 /nfs/dbraw/zinc/80/92/35/712809235.db2.gz LXZAOCOSKDSEOT-OBJOEFQTSA-N 0 3 248.370 2.444 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@]12C[C@H]1CCC2 ZINC000693196084 957857371 /nfs/dbraw/zinc/85/73/71/957857371.db2.gz HENKNOOMQRUOQE-DGCLKSJQSA-N 0 3 203.285 2.424 20 10 BECDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1F ZINC001203550392 966682312 /nfs/dbraw/zinc/68/23/12/966682312.db2.gz UMRMBAJKIJZWGO-KOLCDFICSA-N 0 3 209.264 2.182 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1F ZINC001203550392 966682326 /nfs/dbraw/zinc/68/23/26/966682326.db2.gz UMRMBAJKIJZWGO-KOLCDFICSA-N 0 3 209.264 2.182 20 10 BECDHN CN(Cc1ccc(O)cc1O)C1CC(F)(F)C1 ZINC001204271704 966954130 /nfs/dbraw/zinc/95/41/30/966954130.db2.gz CECKWZUFWVIMKL-UHFFFAOYSA-N 0 3 243.253 2.327 20 10 BECDHN CCCC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC001252093750 968572427 /nfs/dbraw/zinc/57/24/27/968572427.db2.gz JPLKZVOJVDXKJY-ZDUSSCGKSA-N 0 3 237.343 2.375 20 10 BECDHN CCCC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC001252093750 968572431 /nfs/dbraw/zinc/57/24/31/968572431.db2.gz JPLKZVOJVDXKJY-ZDUSSCGKSA-N 0 3 237.343 2.375 20 10 BECDHN CC1([NH3+])CN(Cc2ccc3ccccc3c2[O-])C1 ZINC001204985132 1167182517 /nfs/dbraw/zinc/18/25/17/1167182517.db2.gz FBETZZQNBLILFJ-UHFFFAOYSA-N 0 3 242.322 2.078 20 10 BECDHN COCC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000691839778 1169291162 /nfs/dbraw/zinc/29/11/62/1169291162.db2.gz UMEWUICHWXWVRR-GFCCVEGCSA-N 0 3 247.338 2.396 20 10 BECDHN CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000706177229 957657996 /nfs/dbraw/zinc/65/79/96/957657996.db2.gz CNLXGHMGXXJUSF-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000706177229 957658009 /nfs/dbraw/zinc/65/80/09/957658009.db2.gz CNLXGHMGXXJUSF-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN CC1(C)OCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000693096721 957667418 /nfs/dbraw/zinc/66/74/18/957667418.db2.gz FBHGCKIVHABIHA-GFCCVEGCSA-N 0 3 235.327 2.297 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](O)C1CCC1)c1ccccc1[O-] ZINC000316592284 972287692 /nfs/dbraw/zinc/28/76/92/972287692.db2.gz OJEAHXMSYVNVNJ-QMTHXVAHSA-N 0 3 235.327 2.204 20 10 BECDHN [O-]c1cc(O)ccc1C[NH+]1CCCCC1 ZINC000092106905 958893755 /nfs/dbraw/zinc/89/37/55/958893755.db2.gz GSTWBOKOLPWHGO-UHFFFAOYSA-N 0 3 207.273 2.084 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CO)c([O-])c1 ZINC001140948072 960746217 /nfs/dbraw/zinc/74/62/17/960746217.db2.gz RTKPHWCMESFYQO-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CO)c([O-])c1 ZINC001140948072 960746238 /nfs/dbraw/zinc/74/62/38/960746238.db2.gz RTKPHWCMESFYQO-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001140948182 960746808 /nfs/dbraw/zinc/74/68/08/960746808.db2.gz WYTLMSJTMFOEMJ-IUODEOHRSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@H](C)C2)c([O-])c1 ZINC001140948182 960746827 /nfs/dbraw/zinc/74/68/27/960746827.db2.gz WYTLMSJTMFOEMJ-IUODEOHRSA-N 0 3 249.354 2.293 20 10 BECDHN CCN(Cc1cc(C)[nH]n1)Cc1ccccc1O ZINC001203081601 960751020 /nfs/dbraw/zinc/75/10/20/960751020.db2.gz CRKLMJXXEQLQME-UHFFFAOYSA-N 0 3 245.326 2.446 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c([O-])c1 ZINC001140950791 960755398 /nfs/dbraw/zinc/75/53/98/960755398.db2.gz JASUOLLAJKWHBS-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@]3(CCO3)C2)c([O-])c1 ZINC001140950791 960755417 /nfs/dbraw/zinc/75/54/17/960755417.db2.gz JASUOLLAJKWHBS-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN CC[N@H+](Cc1ccc(C)cc1[O-])CC(C)(C)O ZINC001140957721 960764040 /nfs/dbraw/zinc/76/40/40/960764040.db2.gz LHMYJMBODMXYBD-UHFFFAOYSA-N 0 3 237.343 2.293 20 10 BECDHN CC[N@@H+](Cc1ccc(C)cc1[O-])CC(C)(C)O ZINC001140957721 960764050 /nfs/dbraw/zinc/76/40/50/960764050.db2.gz LHMYJMBODMXYBD-UHFFFAOYSA-N 0 3 237.343 2.293 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2C)c([O-])c1 ZINC000699792846 966092521 /nfs/dbraw/zinc/09/25/21/966092521.db2.gz WQFWIVPRKBGYTL-NTZNESFSSA-N 0 3 235.327 2.386 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001203556014 966688152 /nfs/dbraw/zinc/68/81/52/966688152.db2.gz IQMRDVPNYOAJKU-AWEZNQCLSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001203556014 966688165 /nfs/dbraw/zinc/68/81/65/966688165.db2.gz IQMRDVPNYOAJKU-AWEZNQCLSA-N 0 3 233.311 2.147 20 10 BECDHN Oc1ccccc1CN1CCCCC12COC2 ZINC001203555722 966692027 /nfs/dbraw/zinc/69/20/27/966692027.db2.gz DWGHOSMBFOZXQB-UHFFFAOYSA-N 0 3 233.311 2.147 20 10 BECDHN Oc1ccc(CN2CCC[C@@H](CF)C2)cc1O ZINC001203880437 966810073 /nfs/dbraw/zinc/81/00/73/966810073.db2.gz AUELHOVMSHCDLV-NSHDSACASA-N 0 3 239.290 2.279 20 10 BECDHN C[C@@H]([NH2+][C@@H]1C[C@@H]2COC[C@H]12)c1ccccc1[O-] ZINC001207161572 968669018 /nfs/dbraw/zinc/66/90/18/968669018.db2.gz ZGEUBQVLICSRSN-VCDKRKBESA-N 0 3 233.311 2.078 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(C)C ZINC001253764481 969380813 /nfs/dbraw/zinc/38/08/13/969380813.db2.gz CDULBUYZHGYVAB-AWEZNQCLSA-N 0 3 237.343 2.231 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)C(C)C ZINC001253764481 969380816 /nfs/dbraw/zinc/38/08/16/969380816.db2.gz CDULBUYZHGYVAB-AWEZNQCLSA-N 0 3 237.343 2.231 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCC[C@H]1CCOC1 ZINC000400535642 970599998 /nfs/dbraw/zinc/59/99/98/970599998.db2.gz JWTFRAATQUNZQS-LBPRGKRZSA-N 0 3 235.327 2.299 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000401557953 970705751 /nfs/dbraw/zinc/70/57/51/970705751.db2.gz DZWMHCLMUZZYME-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000401557953 970705759 /nfs/dbraw/zinc/70/57/59/970705759.db2.gz DZWMHCLMUZZYME-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN COCC[N@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000234766854 973755095 /nfs/dbraw/zinc/75/50/95/973755095.db2.gz HQFYTEBFSLMAHM-UHFFFAOYSA-N 0 3 241.306 2.388 20 10 BECDHN COCC[N@@H+](Cc1cc(F)ccc1[O-])C(C)C ZINC000234766854 973755104 /nfs/dbraw/zinc/75/51/04/973755104.db2.gz HQFYTEBFSLMAHM-UHFFFAOYSA-N 0 3 241.306 2.388 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172218419 974446289 /nfs/dbraw/zinc/44/62/89/974446289.db2.gz UMZMNUXNLJEHIR-YHWZYXNKSA-N 0 3 233.311 2.192 20 10 BECDHN Cc1cnccc1Nc1ccc(F)cc1O ZINC001174537386 976819300 /nfs/dbraw/zinc/81/93/00/976819300.db2.gz DFXGVYMDTCIEGX-UHFFFAOYSA-N 0 3 218.231 2.400 20 10 BECDHN COc1cc(O)c(CN2CC[C@H]2C)cc1OC ZINC001236749721 979725970 /nfs/dbraw/zinc/72/59/70/979725970.db2.gz LRVUWUOEEZZVSY-SECBINFHSA-N 0 3 237.299 2.004 20 10 BECDHN CCc1ccc(C[N@@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC001236783970 979727588 /nfs/dbraw/zinc/72/75/88/979727588.db2.gz QPASBFFGPWQRFZ-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c([O-])c1 ZINC001236783970 979727596 /nfs/dbraw/zinc/72/75/96/979727596.db2.gz QPASBFFGPWQRFZ-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c([O-])c1 ZINC001236789632 979728119 /nfs/dbraw/zinc/72/81/19/979728119.db2.gz BWKCOWXIYKRHBA-FZMZJTMJSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c([O-])c1 ZINC001236789632 979728133 /nfs/dbraw/zinc/72/81/33/979728133.db2.gz BWKCOWXIYKRHBA-FZMZJTMJSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001236782679 979732043 /nfs/dbraw/zinc/73/20/43/979732043.db2.gz CUZRAVUAWIMNDV-HNNXBMFYSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001236782679 979732054 /nfs/dbraw/zinc/73/20/54/979732054.db2.gz CUZRAVUAWIMNDV-HNNXBMFYSA-N 0 3 249.354 2.159 20 10 BECDHN CCOc1ccc(C[N@@H+]2CC[C@@H]2C)c([O-])c1 ZINC001237050127 979812369 /nfs/dbraw/zinc/81/23/69/979812369.db2.gz PUUXUCXSSFKIBY-JTQLQIEISA-N 0 3 221.300 2.385 20 10 BECDHN CCOc1ccc(C[N@H+]2CC[C@@H]2C)c([O-])c1 ZINC001237050127 979812374 /nfs/dbraw/zinc/81/23/74/979812374.db2.gz PUUXUCXSSFKIBY-JTQLQIEISA-N 0 3 221.300 2.385 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC001237484848 979910622 /nfs/dbraw/zinc/91/06/22/979910622.db2.gz IUWCMWXQMHUKAZ-NEPJUHHUSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC001237484848 979910630 /nfs/dbraw/zinc/91/06/30/979910630.db2.gz IUWCMWXQMHUKAZ-NEPJUHHUSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001237486239 979912692 /nfs/dbraw/zinc/91/26/92/979912692.db2.gz ZJSUBBPLMZCCPP-IUODEOHRSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@](C)(O)C1 ZINC001237486239 979912694 /nfs/dbraw/zinc/91/26/94/979912694.db2.gz ZJSUBBPLMZCCPP-IUODEOHRSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001237489473 979914763 /nfs/dbraw/zinc/91/47/63/979914763.db2.gz BJOYHACGBMROHQ-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@]12CCOC2 ZINC001237489473 979914769 /nfs/dbraw/zinc/91/47/69/979914769.db2.gz BJOYHACGBMROHQ-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN COC[C@@H]1CCN1Cc1cc(F)cc(C)c1O ZINC001238066306 980138904 /nfs/dbraw/zinc/13/89/04/980138904.db2.gz MAIAYJAGMFTFJW-LBPRGKRZSA-N 0 3 239.290 2.060 20 10 BECDHN Nc1ccc(C[N@@H+]2Cc3cccc([O-])c3C2)cc1 ZINC001580443389 986852148 /nfs/dbraw/zinc/85/21/48/986852148.db2.gz BBNUNMHHVNHTHF-UHFFFAOYSA-N 0 3 240.306 2.490 20 10 BECDHN Nc1ccc(C[N@H+]2Cc3cccc([O-])c3C2)cc1 ZINC001580443389 986852150 /nfs/dbraw/zinc/85/21/50/986852150.db2.gz BBNUNMHHVNHTHF-UHFFFAOYSA-N 0 3 240.306 2.490 20 10 BECDHN Nc1ccc(CN2Cc3cccc(O)c3C2)cc1 ZINC001580443389 986852152 /nfs/dbraw/zinc/85/21/52/986852152.db2.gz BBNUNMHHVNHTHF-UHFFFAOYSA-N 0 3 240.306 2.490 20 10 BECDHN CN(C)[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001116505509 987608254 /nfs/dbraw/zinc/60/82/54/987608254.db2.gz IOUAGAUWFAFPGR-KGLIPLIRSA-N 0 3 248.370 2.355 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140058822 991506321 /nfs/dbraw/zinc/50/63/21/991506321.db2.gz NBGIYMKTPVIJKI-UWJYBYFXSA-N 0 3 239.265 2.464 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001140058822 991506330 /nfs/dbraw/zinc/50/63/30/991506330.db2.gz NBGIYMKTPVIJKI-UWJYBYFXSA-N 0 3 239.265 2.464 20 10 BECDHN COc1cc(C)c(C[NH2+]CCC(F)F)c([O-])c1 ZINC001561047729 991705708 /nfs/dbraw/zinc/70/57/08/991705708.db2.gz YMCUDVAZFPLEPE-UHFFFAOYSA-N 0 3 245.269 2.454 20 10 BECDHN C[C@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1[O-] ZINC000392793591 993882988 /nfs/dbraw/zinc/88/29/88/993882988.db2.gz MROIMLGDXNEFQX-JTQLQIEISA-N 0 3 244.294 2.344 20 10 BECDHN CCCO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000701667867 993903012 /nfs/dbraw/zinc/90/30/12/993903012.db2.gz OMZGFXILQHQGKO-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CCCO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000701667867 993903024 /nfs/dbraw/zinc/90/30/24/993903024.db2.gz OMZGFXILQHQGKO-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1cc([O-])c(C[NH+]2CCC(CO)CC2)cc1C ZINC000271038477 178195066 /nfs/dbraw/zinc/19/50/66/178195066.db2.gz KXRLBMZOJKBDDZ-UHFFFAOYSA-N 0 3 249.354 2.213 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](CO)C2)cc1C ZINC000154579701 178195858 /nfs/dbraw/zinc/19/58/58/178195858.db2.gz BNNFIXACZIEAHF-CYBMUJFWSA-N 0 3 249.354 2.213 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](CO)C2)cc1C ZINC000154579701 178195861 /nfs/dbraw/zinc/19/58/61/178195861.db2.gz BNNFIXACZIEAHF-CYBMUJFWSA-N 0 3 249.354 2.213 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)cc1C ZINC000189347832 178197077 /nfs/dbraw/zinc/19/70/77/178197077.db2.gz FMQGBMZMTDRNJS-KGLIPLIRSA-N 0 3 249.354 2.258 20 10 BECDHN Cc1cc(O)c(CN[C@@H](C)CF)cc1C ZINC000288421186 178197688 /nfs/dbraw/zinc/19/76/88/178197688.db2.gz JSLUMWKKIKWGFA-JTQLQIEISA-N 0 3 211.280 2.457 20 10 BECDHN CC[C@H]([NH2+]CC(C)(C)O)c1ccccc1[O-] ZINC000083461445 398282813 /nfs/dbraw/zinc/28/28/13/398282813.db2.gz KSLFBVCENOEVTH-NSHDSACASA-N 0 3 223.316 2.204 20 10 BECDHN CCC(CC)[NH2+]Cc1ccc(O)cc1[O-] ZINC000019883820 168390276 /nfs/dbraw/zinc/39/02/76/168390276.db2.gz WYOFWWGAKIPGIZ-UHFFFAOYSA-N 0 3 209.289 2.376 20 10 BECDHN CCOc1cccc(C[N@H+](C)CC)c1[O-] ZINC000132548019 398306635 /nfs/dbraw/zinc/30/66/35/398306635.db2.gz HTXXLWAMEAQSFM-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN CCOc1cccc(C[N@@H+](C)CC)c1[O-] ZINC000132548019 398306636 /nfs/dbraw/zinc/30/66/36/398306636.db2.gz HTXXLWAMEAQSFM-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCO1 ZINC000020206260 342977275 /nfs/dbraw/zinc/97/72/75/342977275.db2.gz ONTDIZSHVIFUJR-ZWNOBZJWSA-N 0 3 221.300 2.049 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)N(C)C)c1ccccc1[O-] ZINC000038088663 343370299 /nfs/dbraw/zinc/37/02/99/343370299.db2.gz JKEBYISQFMJCLO-YPMHNXCESA-N 0 3 236.359 2.383 20 10 BECDHN C[C@H](Cn1ccnc1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000037158183 343337296 /nfs/dbraw/zinc/33/72/96/343337296.db2.gz UHBGXNDXCCHFET-VXGBXAGGSA-N 0 3 245.326 2.328 20 10 BECDHN CC(C)C[C@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000040773751 343409190 /nfs/dbraw/zinc/40/91/90/343409190.db2.gz LMHYWINLSCFBQN-VXGBXAGGSA-N 0 3 237.343 2.450 20 10 BECDHN CCCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879094 343456753 /nfs/dbraw/zinc/45/67/53/343456753.db2.gz ZPTDTFFCKWIVOT-UHFFFAOYSA-N 0 3 237.299 2.401 20 10 BECDHN C[C@H]([NH2+]CCC(C)(C)CO)c1ccccc1[O-] ZINC000296572681 136376021 /nfs/dbraw/zinc/37/60/21/136376021.db2.gz SZXQQVDCTLJMJX-NSHDSACASA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCCCO)c([O-])c1C ZINC000279485381 187341989 /nfs/dbraw/zinc/34/19/89/187341989.db2.gz LEZZTZPPBYQYHJ-LBPRGKRZSA-N 0 3 237.343 2.432 20 10 BECDHN C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000049553086 343601725 /nfs/dbraw/zinc/60/17/25/343601725.db2.gz LHAGFDOOSQWRSY-NEPJUHHUSA-N 0 3 236.359 2.383 20 10 BECDHN C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000049553088 343602116 /nfs/dbraw/zinc/60/21/16/343602116.db2.gz LHAGFDOOSQWRSY-VXGBXAGGSA-N 0 3 236.359 2.383 20 10 BECDHN COc1cc([O-])c(C[NH+]2CCCC2)cc1OC ZINC000159459702 187301610 /nfs/dbraw/zinc/30/16/10/187301610.db2.gz NZZDYRRNTVKPGY-UHFFFAOYSA-N 0 3 237.299 2.005 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)CC[C@H](C)O)cc1C ZINC000093481376 345672828 /nfs/dbraw/zinc/67/28/28/345672828.db2.gz FJAUUEFKXALBDE-LBPRGKRZSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)CC[C@H](C)O)cc1C ZINC000093481376 345672829 /nfs/dbraw/zinc/67/28/29/345672829.db2.gz FJAUUEFKXALBDE-LBPRGKRZSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1cccc(C[N@@H+](C)CC2(O)CCCC2)c1[O-] ZINC000180314648 179063840 /nfs/dbraw/zinc/06/38/40/179063840.db2.gz BSTPPAYNFUSPQU-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[N@H+](C)CC2(O)CCCC2)c1[O-] ZINC000180314648 179063843 /nfs/dbraw/zinc/06/38/43/179063843.db2.gz BSTPPAYNFUSPQU-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[NH+]2CCC(C)(CO)CC2)c1[O-] ZINC000184071953 179074278 /nfs/dbraw/zinc/07/42/78/179074278.db2.gz OFDUQHHSDQCUMO-UHFFFAOYSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(C[N@H+](C)CCCCCO)c1[O-] ZINC000279443819 179066402 /nfs/dbraw/zinc/06/64/02/179066402.db2.gz POSYPTRJZAVUEY-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN Cc1cccc(C[N@@H+](C)CCCCCO)c1[O-] ZINC000279443819 179066403 /nfs/dbraw/zinc/06/64/03/179066403.db2.gz POSYPTRJZAVUEY-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN Cc1cccc(CN2CCOC3(CCC3)C2)c1O ZINC000180417204 179079274 /nfs/dbraw/zinc/07/92/74/179079274.db2.gz FLLLQOZXSKHPMX-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c1[O-] ZINC000190303528 179097721 /nfs/dbraw/zinc/09/77/21/179097721.db2.gz OXYIWWGLQNWCHJ-TZMCWYRMSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+]CCC2(O)CCC2)c1[O-] ZINC000285236345 179089732 /nfs/dbraw/zinc/08/97/32/179089732.db2.gz SIEYQVJKGKDJNS-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN Cc1cccc(C[NH2+]CC2(O)CCCCC2)c1[O-] ZINC000124760572 179090047 /nfs/dbraw/zinc/09/00/47/179090047.db2.gz RYMUZRSMJYGQPK-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN Cc1cccc(C[NH2+]CC(C)(C)N(C)C)c1[O-] ZINC000124654793 179090550 /nfs/dbraw/zinc/09/05/50/179090550.db2.gz MOPYNYQYZQDEBO-UHFFFAOYSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1cccc(C[NH2+]CC[C@H](C)CCO)c1[O-] ZINC000295085462 179091706 /nfs/dbraw/zinc/09/17/06/179091706.db2.gz IQRDYQSXFLPZOL-NSHDSACASA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](C)CCN(C)C)c1[O-] ZINC000124755306 179095782 /nfs/dbraw/zinc/09/57/82/179095782.db2.gz BZVMZXUAUPAXSW-LBPRGKRZSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1cccc(C[NH2+][C@H](C)CCCCO)c1[O-] ZINC000294929306 179100581 /nfs/dbraw/zinc/10/05/81/179100581.db2.gz BKTWUNNAEAIKDP-GFCCVEGCSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000163988262 346585781 /nfs/dbraw/zinc/58/57/81/346585781.db2.gz DGRMXFCVNKCNOQ-GHMZBOCLSA-N 0 3 223.316 2.204 20 10 BECDHN COc1ccc(CNCC2=CCCOC2)cc1C ZINC000126943691 191007970 /nfs/dbraw/zinc/00/79/70/191007970.db2.gz FPBCZVBNFQNXRQ-UHFFFAOYSA-N 0 3 247.338 2.440 20 10 BECDHN Cc1nccn1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000270941661 180252324 /nfs/dbraw/zinc/25/23/24/180252324.db2.gz YPHOKFQDTMRXSX-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1nccn1CC[N@H+](C)Cc1ccccc1[O-] ZINC000270941661 180252326 /nfs/dbraw/zinc/25/23/26/180252326.db2.gz YPHOKFQDTMRXSX-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1ncsc1CC[NH2+]Cc1ccccc1[O-] ZINC000228415461 180309298 /nfs/dbraw/zinc/30/92/98/180309298.db2.gz UXVUSRYLYUNODF-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000527783804 323690842 /nfs/dbraw/zinc/69/08/42/323690842.db2.gz VOKSFOFLWNUMCB-KGLIPLIRSA-N 0 3 235.327 2.358 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000186490107 188000077 /nfs/dbraw/zinc/00/00/77/188000077.db2.gz MBTVDJNKLIJPRL-QSKOYVBTSA-N 0 3 235.327 2.370 20 10 BECDHN Cc1cc(CNCc2cc(C)ccc2O)n(C)n1 ZINC000283822940 188033871 /nfs/dbraw/zinc/03/38/71/188033871.db2.gz FQUXNQPOBDBQRY-UHFFFAOYSA-N 0 3 245.326 2.032 20 10 BECDHN CC1(C)[C@H]([NH2+]Cc2ccccc2[O-])[C@H]2CCO[C@@H]21 ZINC000134994579 188049689 /nfs/dbraw/zinc/04/96/89/188049689.db2.gz AVXKSXVKZQUNDO-BNOWGMLFSA-N 0 3 247.338 2.295 20 10 BECDHN CC(C)(CO)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295834975 188268938 /nfs/dbraw/zinc/26/89/38/188268938.db2.gz ADPRGDJHGCBURC-GFCCVEGCSA-N 0 3 249.354 2.378 20 10 BECDHN CCN(CC)c1ccc(CN2CC[C@H](O)C2)cc1 ZINC000271099349 188376291 /nfs/dbraw/zinc/37/62/91/188376291.db2.gz OKCGVEGGJHQNEL-HNNXBMFYSA-N 0 3 248.370 2.099 20 10 BECDHN Cc1cccc(CN(C(C)C)C2COC2)c1O ZINC000296040252 188394209 /nfs/dbraw/zinc/39/42/09/188394209.db2.gz NVUIUGMONHXLPY-UHFFFAOYSA-N 0 3 235.327 2.310 20 10 BECDHN CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(C)cc1[O-] ZINC000296078548 353817233 /nfs/dbraw/zinc/81/72/33/353817233.db2.gz XEJRTFUWSOOCKN-NTZNESFSSA-N 0 3 235.327 2.265 20 10 BECDHN CC[C@@H](O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297080001 353835693 /nfs/dbraw/zinc/83/56/93/353835693.db2.gz WSEJBNMZLQWFFV-VXGBXAGGSA-N 0 3 235.327 2.130 20 10 BECDHN [O-]c1ccccc1CN1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000134197422 358782876 /nfs/dbraw/zinc/78/28/76/358782876.db2.gz IHBLQHDQQIJWLH-CQSZACIVSA-N 0 3 246.354 2.062 20 10 BECDHN [O-]c1ccccc1CN1CCC[N@H+]2CCC[C@@H]2C1 ZINC000134197422 358782880 /nfs/dbraw/zinc/78/28/80/358782880.db2.gz IHBLQHDQQIJWLH-CQSZACIVSA-N 0 3 246.354 2.062 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093820625 360281421 /nfs/dbraw/zinc/28/14/21/360281421.db2.gz KVMJAEPLCHWCBO-OAHLLOKOSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC000093820625 360281426 /nfs/dbraw/zinc/28/14/26/360281426.db2.gz KVMJAEPLCHWCBO-OAHLLOKOSA-N 0 3 247.338 2.313 20 10 BECDHN C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296587162 364785206 /nfs/dbraw/zinc/78/52/06/364785206.db2.gz WMARVVUNTSGSAR-WXHSDQCUSA-N 0 3 247.338 2.394 20 10 BECDHN CCC[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132578600 169079901 /nfs/dbraw/zinc/07/99/01/169079901.db2.gz IYDWJSYOYNOEJC-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN CCC[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132578600 169079904 /nfs/dbraw/zinc/07/99/04/169079904.db2.gz IYDWJSYOYNOEJC-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1CC=CCC1)OCO2 ZINC000080123409 183260890 /nfs/dbraw/zinc/26/08/90/183260890.db2.gz XFMHOMCMXUILOJ-LLVKDONJSA-N 0 3 247.294 2.319 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+]C1CCCC1)OCO2 ZINC000042879048 183260952 /nfs/dbraw/zinc/26/09/52/183260952.db2.gz FYZCFZTVGRQTDS-UHFFFAOYSA-N 0 3 235.283 2.153 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1CC=CCC1)OCO2 ZINC000080123402 183261096 /nfs/dbraw/zinc/26/10/96/183261096.db2.gz XFMHOMCMXUILOJ-NSHDSACASA-N 0 3 247.294 2.319 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1CC1)CC2 ZINC000295928718 183297509 /nfs/dbraw/zinc/29/75/09/183297509.db2.gz KDWJBOXWKYOHRJ-LLVKDONJSA-N 0 3 203.285 2.379 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000297170152 183297718 /nfs/dbraw/zinc/29/77/18/183297718.db2.gz DKAOPSRPCKDYMW-VXGBXAGGSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCOC1)CC2 ZINC000296022346 183298151 /nfs/dbraw/zinc/29/81/51/183298151.db2.gz PPXMBBRLEIMERI-DGCLKSJQSA-N 0 3 247.338 2.396 20 10 BECDHN Oc1ccccc1CN1CCO[C@H](C2CC2)C1 ZINC000375331648 183301358 /nfs/dbraw/zinc/30/13/58/183301358.db2.gz LKIYXBVMCQEJSX-AWEZNQCLSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1CF ZINC000293989908 183301988 /nfs/dbraw/zinc/30/19/88/183301988.db2.gz LOSMSUORXMGJJE-NSHDSACASA-N 0 3 209.264 2.326 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1CF ZINC000293989908 183301991 /nfs/dbraw/zinc/30/19/91/183301991.db2.gz LOSMSUORXMGJJE-NSHDSACASA-N 0 3 209.264 2.326 20 10 BECDHN c1cc(CNCc2ccc3c(c2)CCO3)ccn1 ZINC000037362844 183352693 /nfs/dbraw/zinc/35/26/93/183352693.db2.gz NWHXPHCZDOKRCG-UHFFFAOYSA-N 0 3 240.306 2.306 20 10 BECDHN C[C@@H]([NH2+]Cc1ccnc(N)c1)c1ccccc1[O-] ZINC001644183960 1172533203 /nfs/dbraw/zinc/53/32/03/1172533203.db2.gz VMCGRVMUADLIIQ-SNVBAGLBSA-N 0 3 243.310 2.220 20 10 BECDHN CC[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000035628934 383866943 /nfs/dbraw/zinc/86/69/43/383866943.db2.gz WHKCSGAYJHVSRC-WDEREUQCSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@@H]([NH2+]C1CCN(C)CC1)c1ccccc1[O-] ZINC000037267152 383966563 /nfs/dbraw/zinc/96/65/63/383966563.db2.gz COJBMBZRDXKKEX-LLVKDONJSA-N 0 3 234.343 2.137 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C)c([O-])c1 ZINC000038088169 384066518 /nfs/dbraw/zinc/06/65/18/384066518.db2.gz VGCJTBIUIDVLQF-NWDGAFQWSA-N 0 3 236.359 2.301 20 10 BECDHN COC[C@@H](C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000070955628 384144317 /nfs/dbraw/zinc/14/43/17/384144317.db2.gz ZYYCXYTZZFSQLI-NSHDSACASA-N 0 3 223.316 2.073 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]Cc2cnn(C)c2)c([O-])c1 ZINC000041158927 384181618 /nfs/dbraw/zinc/18/16/18/384181618.db2.gz AFPMIFWZOIQGNQ-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCCOC1)c1cc(F)ccc1[O-] ZINC000094618208 384306877 /nfs/dbraw/zinc/30/68/77/384306877.db2.gz JCDJZNORIKRTPK-MWLCHTKSSA-N 0 3 239.290 2.361 20 10 BECDHN CC[C@H]([NH2+]CC1(C)COC1)c1ccccc1[O-] ZINC000094721897 384311036 /nfs/dbraw/zinc/31/10/36/384311036.db2.gz JFEJADUCHWFRHA-LBPRGKRZSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CN(C)C ZINC000297388546 384279909 /nfs/dbraw/zinc/27/99/09/384279909.db2.gz RQZXUNOIYIQYNT-WCQYABFASA-N 0 3 248.370 2.167 20 10 BECDHN C[N@H+](CCOCC1CC1)Cc1ccccc1[O-] ZINC000119526851 384281348 /nfs/dbraw/zinc/28/13/48/384281348.db2.gz CRLHJAUHGZFMNX-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN C[N@@H+](CCOCC1CC1)Cc1ccccc1[O-] ZINC000119526851 384281351 /nfs/dbraw/zinc/28/13/51/384281351.db2.gz CRLHJAUHGZFMNX-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)O)c([O-])c1C ZINC000134899793 384398202 /nfs/dbraw/zinc/39/82/02/384398202.db2.gz XDDOVHDHPNBKKI-GXSJLCMTSA-N 0 3 223.316 2.040 20 10 BECDHN C[N@H+](CCc1cccnc1)Cc1ccccc1[O-] ZINC000172164163 384541745 /nfs/dbraw/zinc/54/17/45/384541745.db2.gz IQGJWLAOXJQPDH-UHFFFAOYSA-N 0 3 242.322 2.462 20 10 BECDHN C[N@@H+](CCc1cccnc1)Cc1ccccc1[O-] ZINC000172164163 384541753 /nfs/dbraw/zinc/54/17/53/384541753.db2.gz IQGJWLAOXJQPDH-UHFFFAOYSA-N 0 3 242.322 2.462 20 10 BECDHN C[C@@H]([NH2+]CC(C)(C)N(C)C)c1ccccc1[O-] ZINC000020125765 384583540 /nfs/dbraw/zinc/58/35/40/384583540.db2.gz KACUXTOKFYCVES-LLVKDONJSA-N 0 3 236.359 2.383 20 10 BECDHN CC[C@H](O)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000162330508 384605902 /nfs/dbraw/zinc/60/59/02/384605902.db2.gz DNKLXEYSBRWSJU-JQWIXIFHSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020196017 384595975 /nfs/dbraw/zinc/59/59/75/384595975.db2.gz KWMQUUMVXOUONX-WDEREUQCSA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c([O-])c1 ZINC000185830683 384774456 /nfs/dbraw/zinc/77/44/56/384774456.db2.gz PFAJVXMOGFCMPH-FRRDWIJNSA-N 0 3 247.338 2.288 20 10 BECDHN CC[C@H]([NH2+]CC[C@H](C)O)c1ccccc1[O-] ZINC000082993795 384735362 /nfs/dbraw/zinc/73/53/62/384735362.db2.gz UIRHOQXSLNICJG-JQWIXIFHSA-N 0 3 223.316 2.204 20 10 BECDHN CCN(C)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000054110223 384823179 /nfs/dbraw/zinc/82/31/79/384823179.db2.gz XTOAHKYHRDAIPM-GFCCVEGCSA-N 0 3 236.359 2.303 20 10 BECDHN C[N@H+](CCc1ccncc1)Cc1ccccc1[O-] ZINC000084828004 384901964 /nfs/dbraw/zinc/90/19/64/384901964.db2.gz ZECHDVZSZCNNQV-UHFFFAOYSA-N 0 3 242.322 2.462 20 10 BECDHN C[N@@H+](CCc1ccncc1)Cc1ccccc1[O-] ZINC000084828004 384901967 /nfs/dbraw/zinc/90/19/67/384901967.db2.gz ZECHDVZSZCNNQV-UHFFFAOYSA-N 0 3 242.322 2.462 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC[C@H]2CCO)c1 ZINC000189942283 385197571 /nfs/dbraw/zinc/19/75/71/385197571.db2.gz QYFNPGMYYINFRH-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@](C)(O)C2)c1 ZINC000129550045 385161591 /nfs/dbraw/zinc/16/15/91/385161591.db2.gz XRPZXIUSMOHKKR-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@](C)(O)C2)c1 ZINC000129550045 385161597 /nfs/dbraw/zinc/16/15/97/385161597.db2.gz XRPZXIUSMOHKKR-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@@H](C(=O)Nc1ccc(N)cc1)N(CC)CC ZINC000062460849 385173001 /nfs/dbraw/zinc/17/30/01/385173001.db2.gz ZZWKTVSQGDVGSB-ZDUSSCGKSA-N 0 3 249.358 2.328 20 10 BECDHN C[N@H+](CC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000191660271 385312780 /nfs/dbraw/zinc/31/27/80/385312780.db2.gz XOVSICGDKBWJSJ-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@@H+](CC[C@@H]1CCCO1)Cc1ccccc1[O-] ZINC000191660271 385312784 /nfs/dbraw/zinc/31/27/84/385312784.db2.gz XOVSICGDKBWJSJ-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CC/C=C/C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000294947803 385322464 /nfs/dbraw/zinc/32/24/64/385322464.db2.gz CSVVUCDHIKUOQR-ONEGZZNKSA-N 0 3 235.283 2.177 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000280224576 385281964 /nfs/dbraw/zinc/28/19/64/385281964.db2.gz UYMREXCVQXEGJN-ZYHUDNBSSA-N 0 3 223.316 2.122 20 10 BECDHN CC[C@@H]([NH2+]CCCO)c1ccc(C)cc1[O-] ZINC000280258217 385288115 /nfs/dbraw/zinc/28/81/15/385288115.db2.gz XBIAEJNUDMQNPY-GFCCVEGCSA-N 0 3 223.316 2.124 20 10 BECDHN CO[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000191206385 385293555 /nfs/dbraw/zinc/29/35/55/385293555.db2.gz HSHNDXZTHAETJO-MNOVXSKESA-N 0 3 223.316 2.386 20 10 BECDHN Cc1cc(Cl)cc(C[NH2+]CCF)c1[O-] ZINC000280831005 385375561 /nfs/dbraw/zinc/37/55/61/385375561.db2.gz WVLCENGRIKSCFD-UHFFFAOYSA-N 0 3 217.671 2.413 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCCO)c1 ZINC000193278665 385390707 /nfs/dbraw/zinc/39/07/07/385390707.db2.gz NMUKKJHNOCMZMN-NSHDSACASA-N 0 3 223.316 2.124 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)C)c([O-])c1 ZINC000168777177 385387633 /nfs/dbraw/zinc/38/76/33/385387633.db2.gz QFCAVOKSASDPCA-RISCZKNCSA-N 0 3 237.343 2.368 20 10 BECDHN COc1cc([O-])c(C[N@H+](C)C2CC2)cc1OC ZINC000179437704 385467020 /nfs/dbraw/zinc/46/70/20/385467020.db2.gz PGEJBKKJZYJMKN-UHFFFAOYSA-N 0 3 237.299 2.004 20 10 BECDHN COc1cc([O-])c(C[N@@H+](C)C2CC2)cc1OC ZINC000179437704 385467024 /nfs/dbraw/zinc/46/70/24/385467024.db2.gz PGEJBKKJZYJMKN-UHFFFAOYSA-N 0 3 237.299 2.004 20 10 BECDHN COc1cc(O)c(CN(C)C2CC2)cc1OC ZINC000179437704 385467026 /nfs/dbraw/zinc/46/70/26/385467026.db2.gz PGEJBKKJZYJMKN-UHFFFAOYSA-N 0 3 237.299 2.004 20 10 BECDHN CCOC[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179583632 385476658 /nfs/dbraw/zinc/47/66/58/385476658.db2.gz YXWVSZRIZQRNFO-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN CCOC[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179583632 385476661 /nfs/dbraw/zinc/47/66/61/385476661.db2.gz YXWVSZRIZQRNFO-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN CO[C@@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179749537 385487604 /nfs/dbraw/zinc/48/76/04/385487604.db2.gz BJPHEPAASSHTQC-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179749537 385487608 /nfs/dbraw/zinc/48/76/08/385487608.db2.gz BJPHEPAASSHTQC-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN CCCC[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000179874329 385496581 /nfs/dbraw/zinc/49/65/81/385496581.db2.gz XOCYIOGWUJUURA-UHFFFAOYSA-N 0 3 241.306 2.126 20 10 BECDHN CCCC[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000179874329 385496585 /nfs/dbraw/zinc/49/65/85/385496585.db2.gz XOCYIOGWUJUURA-UHFFFAOYSA-N 0 3 241.306 2.126 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@H](C)O1 ZINC000295264097 385513361 /nfs/dbraw/zinc/51/33/61/385513361.db2.gz VGCOJFYMPBDRBU-SCVCMEIPSA-N 0 3 221.300 2.048 20 10 BECDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC000281253092 385649848 /nfs/dbraw/zinc/64/98/48/385649848.db2.gz MRIPQEOJAXIBDJ-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC000281253092 385649852 /nfs/dbraw/zinc/64/98/52/385649852.db2.gz MRIPQEOJAXIBDJ-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CCC[C@H](CCO)C[NH2+]Cc1ccccc1[O-] ZINC000231393406 385799732 /nfs/dbraw/zinc/79/97/32/385799732.db2.gz QWNXOHIOUZSNSI-GFCCVEGCSA-N 0 3 237.343 2.281 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCC[C@H]1O ZINC000272587410 385915012 /nfs/dbraw/zinc/91/50/12/385915012.db2.gz HIJKCXIFKZCQPB-UKRRQHHQSA-N 0 3 249.354 2.375 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCC[C@H]1O ZINC000272587410 385915018 /nfs/dbraw/zinc/91/50/18/385915018.db2.gz HIJKCXIFKZCQPB-UKRRQHHQSA-N 0 3 249.354 2.375 20 10 BECDHN C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1[O-] ZINC000272575951 385915608 /nfs/dbraw/zinc/91/56/08/385915608.db2.gz UKFLWOWDQVOLTG-GFCCVEGCSA-N 0 3 245.326 2.157 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H](C)C2)c1 ZINC000219890851 385947658 /nfs/dbraw/zinc/94/76/58/385947658.db2.gz OVYCCUARHWDEED-DGCLKSJQSA-N 0 3 235.327 2.358 20 10 BECDHN C[C@@]1([NH2+]Cc2ccccc2[O-])CCO[C@H]1C1CC1 ZINC000273057727 385963216 /nfs/dbraw/zinc/96/32/16/385963216.db2.gz DKXYRUXQJSLAII-LSDHHAIUSA-N 0 3 247.338 2.439 20 10 BECDHN CCC(CC)[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000225816531 386220207 /nfs/dbraw/zinc/22/02/07/386220207.db2.gz VZWHUTVQFFVSCQ-CQSZACIVSA-N 0 3 237.343 2.279 20 10 BECDHN CCN(CC)[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000236870580 386319607 /nfs/dbraw/zinc/31/96/07/386319607.db2.gz XFINNFHNXZHUDH-GFCCVEGCSA-N 0 3 236.359 2.212 20 10 BECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1cn[nH]c1 ZINC000226618302 386343570 /nfs/dbraw/zinc/34/35/70/386343570.db2.gz VPILRMLCKJRYLW-QMMMGPOBSA-N 0 3 235.262 2.105 20 10 BECDHN C[C@@H](CO)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618432 386344684 /nfs/dbraw/zinc/34/46/84/386344684.db2.gz IZUOJTRMZPFRHT-SNVBAGLBSA-N 0 3 241.306 2.030 20 10 BECDHN CO[C@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000267629488 386563551 /nfs/dbraw/zinc/56/35/51/386563551.db2.gz JIIAXCDXNFSBPD-ZDUSSCGKSA-N 0 3 235.327 2.230 20 10 BECDHN CO[C@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000267629488 386563557 /nfs/dbraw/zinc/56/35/57/386563557.db2.gz JIIAXCDXNFSBPD-ZDUSSCGKSA-N 0 3 235.327 2.230 20 10 BECDHN Cc1cc(CN2CCC[C@H](O)C2)ccc1N(C)C ZINC000293587912 386660935 /nfs/dbraw/zinc/66/09/35/386660935.db2.gz UFWXBDZJXANEAC-AWEZNQCLSA-N 0 3 248.370 2.018 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC[C@@H](C)O)c([O-])c1 ZINC000293677470 386671250 /nfs/dbraw/zinc/67/12/50/386671250.db2.gz KCLJLYKIBCGRFD-VXGBXAGGSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@](C)(O)CC2)c1 ZINC000279648144 386713507 /nfs/dbraw/zinc/71/35/07/386713507.db2.gz KDMFIIWVDKRGOM-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@](C)(O)CC2)c1 ZINC000279648144 386713514 /nfs/dbraw/zinc/71/35/14/386713514.db2.gz KDMFIIWVDKRGOM-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@H]1CC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000292897631 386744535 /nfs/dbraw/zinc/74/45/35/386744535.db2.gz ZOTKTVXSKYQIJV-NSHDSACASA-N 0 3 221.300 2.385 20 10 BECDHN CC[C@H]1CC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000292897631 386744542 /nfs/dbraw/zinc/74/45/42/386744542.db2.gz ZOTKTVXSKYQIJV-NSHDSACASA-N 0 3 221.300 2.385 20 10 BECDHN Cc1cc(CN(C)[C@@H]2CCOC2)ccc1N(C)C ZINC000293196441 386787584 /nfs/dbraw/zinc/78/75/84/386787584.db2.gz UEBKTIZXCSEIQZ-CQSZACIVSA-N 0 3 248.370 2.282 20 10 BECDHN CO[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1C ZINC000188298633 387267181 /nfs/dbraw/zinc/26/71/81/387267181.db2.gz ZCAROQQQPKBSJS-FZMZJTMJSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1C ZINC000188298633 387267184 /nfs/dbraw/zinc/26/71/84/387267184.db2.gz ZCAROQQQPKBSJS-FZMZJTMJSA-N 0 3 235.327 2.249 20 10 BECDHN CC[C@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1[O-] ZINC000119223127 387553638 /nfs/dbraw/zinc/55/36/38/387553638.db2.gz RXJIUQOPTAXGAI-JSGCOSHPSA-N 0 3 237.343 2.450 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@]23C[C@H]2COC3(C)C)c1 ZINC000527767101 387701536 /nfs/dbraw/zinc/70/15/36/387701536.db2.gz RXIDMXUNPTYURR-SWLSCSKDSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC2COC2)c([O-])c1C ZINC000528023047 387828463 /nfs/dbraw/zinc/82/84/63/387828463.db2.gz CCUFOMMPTGPAMA-NSHDSACASA-N 0 3 235.327 2.306 20 10 BECDHN CO[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000293581501 388390451 /nfs/dbraw/zinc/39/04/51/388390451.db2.gz CAACGHZGQPYTQU-IINYFYTJSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])CN(C)C ZINC000293688671 388390711 /nfs/dbraw/zinc/39/07/11/388390711.db2.gz NQBQNBAREJFAMS-VXGBXAGGSA-N 0 3 236.359 2.241 20 10 BECDHN C[C@H](CC(C)(C)O)[NH2+]Cc1ccccc1[O-] ZINC000295116526 388408863 /nfs/dbraw/zinc/40/88/63/388408863.db2.gz VVYVNRTXZYEGLW-SNVBAGLBSA-N 0 3 223.316 2.031 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC[C@H](C)CCO)c1 ZINC000295141043 388409474 /nfs/dbraw/zinc/40/94/74/388409474.db2.gz PVGRIEVFFSSGKK-NSHDSACASA-N 0 3 237.343 2.199 20 10 BECDHN CC(C)C[C@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296207697 388417827 /nfs/dbraw/zinc/41/78/27/388417827.db2.gz ZFBBEXPBOIEETQ-CHWSQXEVSA-N 0 3 249.354 2.376 20 10 BECDHN C[C@@H](CCO)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000297434904 388429491 /nfs/dbraw/zinc/42/94/91/388429491.db2.gz VOSKGAARNHSLQC-VXGBXAGGSA-N 0 3 237.343 2.451 20 10 BECDHN CC(C)[C@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297622526 388430381 /nfs/dbraw/zinc/43/03/81/388430381.db2.gz IZGOUEPSEOJONB-STQMWFEESA-N 0 3 249.354 2.376 20 10 BECDHN C[C@@H]1C[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584713 388722955 /nfs/dbraw/zinc/72/29/55/388722955.db2.gz ZIWBMXSUBXSYBN-BDAKNGLRSA-N 0 3 209.264 2.277 20 10 BECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000226582827 388723074 /nfs/dbraw/zinc/72/30/74/388723074.db2.gz XVBWHDFLNWSPBQ-MRVPVSSYSA-N 0 3 209.264 2.419 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000272852010 389035819 /nfs/dbraw/zinc/03/58/19/389035819.db2.gz LFZGVSFFMAODJK-ZWNOBZJWSA-N 0 3 237.343 2.450 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000185816595 397873335 /nfs/dbraw/zinc/87/33/35/397873335.db2.gz NJDICMAYZMVRFE-ITDFMYJTSA-N 0 3 235.327 2.117 20 10 BECDHN C[C@@]1(C[NH2+]Cc2ccccc2[O-])CCCO1 ZINC000087233587 1173021409 /nfs/dbraw/zinc/02/14/09/1173021409.db2.gz UTMBCDNMQHXBET-ZDUSSCGKSA-N 0 3 221.300 2.051 20 10 BECDHN CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296252888 168008698 /nfs/dbraw/zinc/00/86/98/168008698.db2.gz BHXKYNJDIDZYKB-CYZMBNFOSA-N 0 3 247.338 2.129 20 10 BECDHN CC1=CCCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000280657418 168100903 /nfs/dbraw/zinc/10/09/03/168100903.db2.gz WYYYSFMXBWGCOA-UHFFFAOYSA-N 0 3 247.294 2.273 20 10 BECDHN CCN1CC[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000249377497 170009321 /nfs/dbraw/zinc/00/93/21/170009321.db2.gz MDHKCSBVURRMAA-OLZOCXBDSA-N 0 3 248.370 2.385 20 10 BECDHN CCOCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000083355402 170380794 /nfs/dbraw/zinc/38/07/94/170380794.db2.gz UOLDKZUBPIQSHB-UHFFFAOYSA-N 0 3 227.279 2.048 20 10 BECDHN CC[C@@](C)(CCO)[NH2+]Cc1ccccc1[O-] ZINC000166042835 171164903 /nfs/dbraw/zinc/16/49/03/171164903.db2.gz OXJYCOBHMROXFV-ZDUSSCGKSA-N 0 3 223.316 2.033 20 10 BECDHN CC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000083461962 171184041 /nfs/dbraw/zinc/18/40/41/171184041.db2.gz KQVVSISHPJHXBP-GXFFZTMASA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@H](C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879041 171342896 /nfs/dbraw/zinc/34/28/96/171342896.db2.gz CQNJEBYOVAVNMN-QMMMGPOBSA-N 0 3 223.272 2.009 20 10 BECDHN CC[C@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163987927 171561268 /nfs/dbraw/zinc/56/12/68/171561268.db2.gz DGRMXFCVNKCNOQ-QWRGUYRKSA-N 0 3 223.316 2.204 20 10 BECDHN COCC(C)(C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000292717264 174073677 /nfs/dbraw/zinc/07/36/77/174073677.db2.gz DVZRWXSMWUIDQA-UHFFFAOYSA-N 0 3 237.343 2.463 20 10 BECDHN COCC1([NH2+]Cc2cccc(C)c2[O-])CCC1 ZINC000284864199 174109549 /nfs/dbraw/zinc/10/95/49/174109549.db2.gz DHPKZOHADDUTJL-UHFFFAOYSA-N 0 3 235.327 2.359 20 10 BECDHN COCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296177181 174250751 /nfs/dbraw/zinc/25/07/51/174250751.db2.gz XYPIKCMZGCHXOH-LLVKDONJSA-N 0 3 221.300 2.006 20 10 BECDHN COCCN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000293570634 174280057 /nfs/dbraw/zinc/28/00/57/174280057.db2.gz SQQGSNCEVSJASY-UHFFFAOYSA-N 0 3 236.359 2.139 20 10 BECDHN COc1ccc(CNC[C@@H](C)OC)cc1C ZINC000223905321 175107295 /nfs/dbraw/zinc/10/72/95/175107295.db2.gz GXHPVKYTNZSSLE-LLVKDONJSA-N 0 3 223.316 2.128 20 10 BECDHN COc1ccc([O-])c(C[NH2+]C2CC(F)(F)C2)c1 ZINC000277580977 175158853 /nfs/dbraw/zinc/15/88/53/175158853.db2.gz UAHDGTNKEZXDPD-UHFFFAOYSA-N 0 3 243.253 2.288 20 10 BECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@@H]2C)c1 ZINC000162519573 175158970 /nfs/dbraw/zinc/15/89/70/175158970.db2.gz GGMHGNJOIFORPV-UWVGGRQHSA-N 0 3 221.300 2.146 20 10 BECDHN COc1ccc([O-])c(C[NH2+]CCC2CC2)c1 ZINC000083893440 175159322 /nfs/dbraw/zinc/15/93/22/175159322.db2.gz VYCURGTUWWTENR-UHFFFAOYSA-N 0 3 221.300 2.291 20 10 BECDHN COc1cccc(C[NH2+]C[C@H](C)SC)c1[O-] ZINC000128185331 175266212 /nfs/dbraw/zinc/26/62/12/175266212.db2.gz FVPGNECXTOCSEK-VIFPVBQESA-N 0 3 241.356 2.242 20 10 BECDHN C[C@@H](CCCCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000295053471 175664092 /nfs/dbraw/zinc/66/40/92/175664092.db2.gz NPOALROWJIYDDK-JTQLQIEISA-N 0 3 241.306 2.172 20 10 BECDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CCS1 ZINC000179569750 176307853 /nfs/dbraw/zinc/30/78/53/176307853.db2.gz JPXDIHHDZMMILU-SNVBAGLBSA-N 0 3 223.341 2.330 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CCS1 ZINC000179569750 176307855 /nfs/dbraw/zinc/30/78/55/176307855.db2.gz JPXDIHHDZMMILU-SNVBAGLBSA-N 0 3 223.341 2.330 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000161304631 176377694 /nfs/dbraw/zinc/37/76/94/176377694.db2.gz IACBNKOVEXWZRD-PWSUYJOCSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@H]([NH2+]CCCCCO)c1cc(F)ccc1[O-] ZINC000192931034 176841950 /nfs/dbraw/zinc/84/19/50/176841950.db2.gz CGVHFVPNCNEGIO-JTQLQIEISA-N 0 3 241.306 2.345 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCCOC1)c1ccccc1[O-] ZINC000038044194 176861051 /nfs/dbraw/zinc/86/10/51/176861051.db2.gz QJMYCKFEFYEEFC-RYUDHWBXSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@H]1CCOCCN1Cc1ccc(N(C)C)cc1 ZINC000365344008 177178047 /nfs/dbraw/zinc/17/80/47/177178047.db2.gz MVDLFMCOFNOOJY-ZDUSSCGKSA-N 0 3 248.370 2.363 20 10 BECDHN C[C@@H]1CN(Cc2ccccc2O)C[C@H](C)O1 ZINC000028221875 177265930 /nfs/dbraw/zinc/26/59/30/177265930.db2.gz CTGGINCBVRTYPW-PHIMTYICSA-N 0 3 221.300 2.001 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CCOCCF)cc1C ZINC000853091771 588719384 /nfs/dbraw/zinc/71/93/84/588719384.db2.gz QTZMEWSCCCRIGK-UHFFFAOYSA-N 0 3 241.306 2.085 20 10 BECDHN C[NH2+]C[C@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000853248725 588728869 /nfs/dbraw/zinc/72/88/69/588728869.db2.gz JFOXDZZJDLWZFH-VIFPVBQESA-N 0 3 242.750 2.052 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)CC2CN(C)C2)cc1C ZINC000853555851 588748553 /nfs/dbraw/zinc/74/85/53/588748553.db2.gz QPNYQURLOVIFEH-UHFFFAOYSA-N 0 3 248.370 2.002 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)CC2CN(C)C2)cc1C ZINC000853555851 588748554 /nfs/dbraw/zinc/74/85/54/588748554.db2.gz QPNYQURLOVIFEH-UHFFFAOYSA-N 0 3 248.370 2.002 20 10 BECDHN COc1ccc(C[NH+]2CCCC2)c([O-])c1OC ZINC000891448171 582687245 /nfs/dbraw/zinc/68/72/45/582687245.db2.gz ZNFBGICJRCVBFS-UHFFFAOYSA-N 0 3 237.299 2.005 20 10 BECDHN CC[C@H]([NH2+]CC1(CO)CC1)c1ccccc1[O-] ZINC000122342333 582843916 /nfs/dbraw/zinc/84/39/16/582843916.db2.gz SFHHPBHOKUNAIW-LBPRGKRZSA-N 0 3 235.327 2.205 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@]2(C)CCCOC2)c1 ZINC000221343472 583177845 /nfs/dbraw/zinc/17/78/45/583177845.db2.gz JMMBMZYGLZQRMJ-CQSZACIVSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836396 583350452 /nfs/dbraw/zinc/35/04/52/583350452.db2.gz WFDCBOZSWNLGDI-LBPRGKRZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000877836396 583350453 /nfs/dbraw/zinc/35/04/53/583350453.db2.gz WFDCBOZSWNLGDI-LBPRGKRZSA-N 0 3 249.354 2.293 20 10 BECDHN CC(C)C1C[NH+](Cc2ccccc2[O-])C1 ZINC000793187799 583575220 /nfs/dbraw/zinc/57/52/20/583575220.db2.gz ALFVGIMKFMOEAH-UHFFFAOYSA-N 0 3 205.301 2.480 20 10 BECDHN CC1=NO[C@@H](CNCc2ccc(N(C)C)cc2)C1 ZINC000895312611 583648606 /nfs/dbraw/zinc/64/86/06/583648606.db2.gz ZVUWNUJCNYZZKZ-CQSZACIVSA-N 0 3 247.342 2.007 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1CSC1 ZINC000895423227 583673729 /nfs/dbraw/zinc/67/37/29/583673729.db2.gz BVQGAJCSLAHDRZ-UHFFFAOYSA-N 0 3 223.341 2.153 20 10 BECDHN COc1cccc([O-])c1C[NH+]1CCC(F)CC1 ZINC000895549266 583686654 /nfs/dbraw/zinc/68/66/54/583686654.db2.gz INNQNPDGQDFQQF-UHFFFAOYSA-N 0 3 239.290 2.335 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895572247 583692526 /nfs/dbraw/zinc/69/25/26/583692526.db2.gz FVBYTQKOTAWIJJ-NSHDSACASA-N 0 3 223.291 2.492 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CF)C1 ZINC000895572247 583692529 /nfs/dbraw/zinc/69/25/29/583692529.db2.gz FVBYTQKOTAWIJJ-NSHDSACASA-N 0 3 223.291 2.492 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847887 583736468 /nfs/dbraw/zinc/73/64/68/583736468.db2.gz XFGQLZLZJZRSCV-HIFRSBDPSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895847887 583736469 /nfs/dbraw/zinc/73/64/69/583736469.db2.gz XFGQLZLZJZRSCV-HIFRSBDPSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847888 583736937 /nfs/dbraw/zinc/73/69/37/583736937.db2.gz XFGQLZLZJZRSCV-UKRRQHHQSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895847888 583736938 /nfs/dbraw/zinc/73/69/38/583736938.db2.gz XFGQLZLZJZRSCV-UKRRQHHQSA-N 0 3 247.338 2.393 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCO[C@H](C)CC1 ZINC000896577761 583814507 /nfs/dbraw/zinc/81/45/07/583814507.db2.gz OMPUCGOYVQYPAL-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCO[C@H](C)CC1 ZINC000896577761 583814508 /nfs/dbraw/zinc/81/45/08/583814508.db2.gz OMPUCGOYVQYPAL-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c([O-])c1C ZINC000858542959 588964160 /nfs/dbraw/zinc/96/41/60/588964160.db2.gz DQRSTXFVAHNYIC-RWMBFGLXSA-N 0 3 249.354 2.431 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000858543870 588964170 /nfs/dbraw/zinc/96/41/70/588964170.db2.gz PEJBZKNHSCQFEX-RWMBFGLXSA-N 0 3 249.354 2.431 20 10 BECDHN CC[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[O-] ZINC000902478024 584603792 /nfs/dbraw/zinc/60/37/92/584603792.db2.gz WFUHNYVHZXCHPE-RUZUBIRVSA-N 0 3 246.354 2.326 20 10 BECDHN Cc1cc(O)c(CN2CC[C@H]2CO)cc1C(C)C ZINC000902629725 584646458 /nfs/dbraw/zinc/64/64/58/584646458.db2.gz ILNXQHATZAEKJE-ZDUSSCGKSA-N 0 3 249.354 2.391 20 10 BECDHN C[C@H]([NH2+]C1CC(CCO)C1)c1ccccc1[O-] ZINC000903331507 584754553 /nfs/dbraw/zinc/75/45/53/584754553.db2.gz XRYWREZXVFYLOU-UNXYVOJBSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](CN)C2CCCC2)c1[O-] ZINC000841087084 584884012 /nfs/dbraw/zinc/88/40/12/584884012.db2.gz MQCZKQCZZBMASK-AWEZNQCLSA-N 0 3 248.370 2.308 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000877118647 584890772 /nfs/dbraw/zinc/89/07/72/584890772.db2.gz IUYSVTLCNUJPEV-AAEUAGOBSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCC[C@H]2O)cc1C ZINC000835079940 584919248 /nfs/dbraw/zinc/91/92/48/584919248.db2.gz HLHJSCLPMQPHKJ-CHWSQXEVSA-N 0 3 235.327 2.012 20 10 BECDHN CC[C@@H]([NH2+]CC(C)(C)N)c1ccc(F)cc1[O-] ZINC000817960975 584992471 /nfs/dbraw/zinc/99/24/71/584992471.db2.gz VKAYMDRNJSHGCU-LLVKDONJSA-N 0 3 240.322 2.309 20 10 BECDHN CC[C@H](N)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000817979330 584994588 /nfs/dbraw/zinc/99/45/88/584994588.db2.gz JNCBSNCAWKFGGA-JQWIXIFHSA-N 0 3 240.322 2.309 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)c1cc(Cl)ccc1[O-])[C@H](C)N ZINC000817978174 584994855 /nfs/dbraw/zinc/99/48/55/584994855.db2.gz XULRISGYWWCCMC-YIZRAAEISA-N 0 3 242.750 2.432 20 10 BECDHN Cc1ccc(O)c(CN2CC(C(F)F)C2)c1 ZINC000839141627 585094342 /nfs/dbraw/zinc/09/43/42/585094342.db2.gz UKTOSXSSLLHOHP-UHFFFAOYSA-N 0 3 227.254 2.398 20 10 BECDHN COCC(C)(C)C[N@H+](C)Cc1ccccc1[O-] ZINC000756077280 585314013 /nfs/dbraw/zinc/31/40/13/585314013.db2.gz RYFOIACTEMTRQP-UHFFFAOYSA-N 0 3 237.343 2.497 20 10 BECDHN COCC(C)(C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000756077280 585314014 /nfs/dbraw/zinc/31/40/14/585314014.db2.gz RYFOIACTEMTRQP-UHFFFAOYSA-N 0 3 237.343 2.497 20 10 BECDHN Cc1ccc(O)c(CNCc2cc(C)ncn2)c1 ZINC000756991846 585326154 /nfs/dbraw/zinc/32/61/54/585326154.db2.gz ZBYXORGTKUHRNG-UHFFFAOYSA-N 0 3 243.310 2.089 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)CC2(O)CCC2)c1 ZINC000761220106 585412548 /nfs/dbraw/zinc/41/25/48/585412548.db2.gz UNSHAQWBLDDZEW-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)CC2(O)CCC2)c1 ZINC000761220106 585412549 /nfs/dbraw/zinc/41/25/49/585412549.db2.gz UNSHAQWBLDDZEW-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN CCOc1ccc(C[N@H+](C)CC)c([O-])c1 ZINC000768237491 585534267 /nfs/dbraw/zinc/53/42/67/585534267.db2.gz TXZBANFILPJJDY-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN CCOc1ccc(C[N@@H+](C)CC)c([O-])c1 ZINC000768237491 585534268 /nfs/dbraw/zinc/53/42/68/585534268.db2.gz TXZBANFILPJJDY-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN C[C@@H]([NH2+]C[C@H](O)c1ccco1)c1ccccc1[O-] ZINC000775136494 585672482 /nfs/dbraw/zinc/67/24/82/585672482.db2.gz KGWDRIPVNDWZIP-MFKMUULPSA-N 0 3 247.294 2.369 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](O)c1ccco1)c1ccccc1[O-] ZINC000775136497 585672619 /nfs/dbraw/zinc/67/26/19/585672619.db2.gz KGWDRIPVNDWZIP-ZWNOBZJWSA-N 0 3 247.294 2.369 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000780893311 585785774 /nfs/dbraw/zinc/78/57/74/585785774.db2.gz WCXSXCUDTVXVFN-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000780893311 585785775 /nfs/dbraw/zinc/78/57/75/585785775.db2.gz WCXSXCUDTVXVFN-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cc([O-])c(C[N@H+](CCO)C2CCC2)cc1C ZINC000784671219 585865370 /nfs/dbraw/zinc/86/53/70/585865370.db2.gz HZSTUBPDCWMEEA-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](CCO)C2CCC2)cc1C ZINC000784671219 585865371 /nfs/dbraw/zinc/86/53/71/585865371.db2.gz HZSTUBPDCWMEEA-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@]2(C)CO)c1 ZINC000789557068 585943916 /nfs/dbraw/zinc/94/39/16/585943916.db2.gz FUQQNKSCIFFMBT-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000789557068 585943917 /nfs/dbraw/zinc/94/39/17/585943917.db2.gz FUQQNKSCIFFMBT-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN COc1ccc([O-])c(C[NH+]2[C@H](C)C[C@H]2C)c1 ZINC000793228794 586014883 /nfs/dbraw/zinc/01/48/83/586014883.db2.gz QXZMIFJXMOLXMY-NXEZZACHSA-N 0 3 221.300 2.384 20 10 BECDHN CC[C@@H]([NH2+]CCN1CCC1)c1ccc(C)cc1[O-] ZINC000794815785 586049466 /nfs/dbraw/zinc/04/94/66/586049466.db2.gz LUBGIFOFTYOKLF-CQSZACIVSA-N 0 3 248.370 2.447 20 10 BECDHN C[C@H]1COCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000796496453 586105179 /nfs/dbraw/zinc/10/51/79/586105179.db2.gz AKVGTNQZDNATDA-RYUDHWBXSA-N 0 3 235.327 2.154 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCN(C)C2)c([O-])c1 ZINC000815576338 586688317 /nfs/dbraw/zinc/68/83/17/586688317.db2.gz OPPWEODVHOIXRY-CHWSQXEVSA-N 0 3 248.370 2.364 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1[O-] ZINC000817415588 586802410 /nfs/dbraw/zinc/80/24/10/586802410.db2.gz ZIFIEMRWYIHFGJ-YPMHNXCESA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1[O-] ZINC000817415588 586802412 /nfs/dbraw/zinc/80/24/12/586802412.db2.gz ZIFIEMRWYIHFGJ-YPMHNXCESA-N 0 3 235.327 2.046 20 10 BECDHN CC[C@@H]([NH2+]CCCN)c1cc(Cl)ccc1[O-] ZINC000817938032 586843936 /nfs/dbraw/zinc/84/39/36/586843936.db2.gz BSAVQIPHPUOTNL-LLVKDONJSA-N 0 3 242.750 2.435 20 10 BECDHN C[NH2+]CCN[C@@H](C)c1cc(Cl)cc(C)c1[O-] ZINC000817952821 586845808 /nfs/dbraw/zinc/84/58/08/586845808.db2.gz UMNDAKLNLBALRH-VIFPVBQESA-N 0 3 242.750 2.224 20 10 BECDHN C[C@@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817945277 586845983 /nfs/dbraw/zinc/84/59/83/586845983.db2.gz YTEKTCFRKRMPIL-SCZZXKLOSA-N 0 3 240.734 2.058 20 10 BECDHN C[C@H](N[C@@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817945278 586846496 /nfs/dbraw/zinc/84/64/96/586846496.db2.gz YTEKTCFRKRMPIL-WCBMZHEXSA-N 0 3 240.734 2.058 20 10 BECDHN CCNCC[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000817951623 586847979 /nfs/dbraw/zinc/84/79/79/586847979.db2.gz HSIIAZGBWWJETB-GFCCVEGCSA-N 0 3 240.322 2.182 20 10 BECDHN CC[NH2+]CCN[C@H](CC)c1ccc(F)cc1[O-] ZINC000817951623 586847981 /nfs/dbraw/zinc/84/79/81/586847981.db2.gz HSIIAZGBWWJETB-GFCCVEGCSA-N 0 3 240.322 2.182 20 10 BECDHN CC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000817952855 586849101 /nfs/dbraw/zinc/84/91/01/586849101.db2.gz VNXDVQMYBBDVJJ-AAEUAGOBSA-N 0 3 234.343 2.185 20 10 BECDHN CC[C@H](NC1C[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817955985 586850008 /nfs/dbraw/zinc/85/00/08/586850008.db2.gz MYHSPXGGRMDFCJ-NSHDSACASA-N 0 3 240.734 2.058 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CN)C2CC2)c1 ZINC000817960835 586851322 /nfs/dbraw/zinc/85/13/22/586851322.db2.gz SBWXFRDFIJBYEP-MFKMUULPSA-N 0 3 234.343 2.089 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](N)C(C)C)c1ccccc1[O-] ZINC000817960179 586851631 /nfs/dbraw/zinc/85/16/31/586851631.db2.gz XZDCMESMHJHXHC-QWHCGFSZSA-N 0 3 236.359 2.416 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CN)C2CC2)c1 ZINC000817960832 586851985 /nfs/dbraw/zinc/85/19/85/586851985.db2.gz SBWXFRDFIJBYEP-GWCFXTLKSA-N 0 3 234.343 2.089 20 10 BECDHN CCC[NH2+]CCN[C@H](C)c1cc(F)ccc1[O-] ZINC000817962403 586853363 /nfs/dbraw/zinc/85/33/63/586853363.db2.gz LEPVKGRAGJBRRA-SNVBAGLBSA-N 0 3 240.322 2.182 20 10 BECDHN C[C@@H](CN)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817961638 586853421 /nfs/dbraw/zinc/85/34/21/586853421.db2.gz BKVSRVGQBZVQES-IUCAKERBSA-N 0 3 242.750 2.291 20 10 BECDHN C[C@H](CN)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817966619 586854537 /nfs/dbraw/zinc/85/45/37/586854537.db2.gz RPXGPSQDJMQBPL-QXFUBDJGSA-N 0 3 238.306 2.016 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CN)c([O-])c1 ZINC000817966594 586855144 /nfs/dbraw/zinc/85/51/44/586855144.db2.gz QWJNTTKAVPNQJC-GHMZBOCLSA-N 0 3 222.332 2.007 20 10 BECDHN C[C@H](N)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817971161 586857875 /nfs/dbraw/zinc/85/78/75/586857875.db2.gz BKEDPUIXLDYCBL-OYNCUSHFSA-N 0 3 238.306 2.016 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CN)c([O-])c1 ZINC000817970297 586858352 /nfs/dbraw/zinc/85/83/52/586858352.db2.gz QWJNTTKAVPNQJC-QWRGUYRKSA-N 0 3 222.332 2.007 20 10 BECDHN CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(C)cc1[O-] ZINC000817977333 586861610 /nfs/dbraw/zinc/86/16/10/586861610.db2.gz HXJLXUBPBDUAIV-LOWVWBTDSA-N 0 3 236.359 2.477 20 10 BECDHN CC[C@@H](N)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000817979375 586862161 /nfs/dbraw/zinc/86/21/61/586862161.db2.gz JYHQIRZUUXHMFT-PWSUYJOCSA-N 0 3 222.332 2.170 20 10 BECDHN CCOc1ccc(C[NH2+][C@@H]2CC23CC3)c([O-])c1 ZINC000818230599 586880795 /nfs/dbraw/zinc/88/07/95/586880795.db2.gz PTSJZTXQLGGPEA-CYBMUJFWSA-N 0 3 233.311 2.433 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(C)cc1[O-] ZINC000818357647 586888968 /nfs/dbraw/zinc/88/89/68/586888968.db2.gz DKCFAJGUIWDLCX-YNEHKIRRSA-N 0 3 235.327 2.265 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccccc1[O-] ZINC000818615139 586906907 /nfs/dbraw/zinc/90/69/07/586906907.db2.gz MHOMREMXSHEBKF-CYZMBNFOSA-N 0 3 234.343 2.313 20 10 BECDHN CO[C@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC000821392200 587116032 /nfs/dbraw/zinc/11/60/32/587116032.db2.gz VSNVAZMJIAPUQZ-OLZOCXBDSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC000821392200 587116033 /nfs/dbraw/zinc/11/60/33/587116033.db2.gz VSNVAZMJIAPUQZ-OLZOCXBDSA-N 0 3 235.327 2.392 20 10 BECDHN CCOc1ccc(CN2CC3(CC3)C2)c(O)c1 ZINC000824534053 587273560 /nfs/dbraw/zinc/27/35/60/587273560.db2.gz YXVGBBIWJXEVMR-UHFFFAOYSA-N 0 3 233.311 2.387 20 10 BECDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]1C1CC1)OCO2 ZINC000824649623 587280586 /nfs/dbraw/zinc/28/05/86/587280586.db2.gz DKVCPUYILOTGND-LLVKDONJSA-N 0 3 247.294 2.105 20 10 BECDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]1C1CC1)OCO2 ZINC000824649623 587280587 /nfs/dbraw/zinc/28/05/87/587280587.db2.gz DKVCPUYILOTGND-LLVKDONJSA-N 0 3 247.294 2.105 20 10 BECDHN Oc1cc2c(cc1CN1CC[C@@H]1C1CC1)OCO2 ZINC000824649623 587280588 /nfs/dbraw/zinc/28/05/88/587280588.db2.gz DKVCPUYILOTGND-LLVKDONJSA-N 0 3 247.294 2.105 20 10 BECDHN CC/C=C/C[NH2+]Cc1c([O-])cccc1OC ZINC000824701949 587283346 /nfs/dbraw/zinc/28/33/46/587283346.db2.gz FGNWUQVDFCFWFP-SNAWJCMRSA-N 0 3 221.300 2.457 20 10 BECDHN CC/C=C\C[NH2+]Cc1c([O-])cccc1OC ZINC000824701948 587283441 /nfs/dbraw/zinc/28/34/41/587283441.db2.gz FGNWUQVDFCFWFP-PLNGDYQASA-N 0 3 221.300 2.457 20 10 BECDHN CC[C@@H]1CN(CC)CC[N@@H+]1Cc1ccccc1[O-] ZINC000825006163 587298260 /nfs/dbraw/zinc/29/82/60/587298260.db2.gz YTKRNABPUHRRQS-CQSZACIVSA-N 0 3 248.370 2.308 20 10 BECDHN CC[C@@H]1CN(CC)CC[N@H+]1Cc1ccccc1[O-] ZINC000825006163 587298261 /nfs/dbraw/zinc/29/82/61/587298261.db2.gz YTKRNABPUHRRQS-CQSZACIVSA-N 0 3 248.370 2.308 20 10 BECDHN C[C@@]12COC[C@]1(C)C[N@@H+](Cc1ccccc1[O-])C2 ZINC000827017704 587368078 /nfs/dbraw/zinc/36/80/78/587368078.db2.gz IROFIDTZDPQARE-GASCZTMLSA-N 0 3 247.338 2.251 20 10 BECDHN C[C@@]12COC[C@]1(C)C[N@H+](Cc1ccccc1[O-])C2 ZINC000827017704 587368079 /nfs/dbraw/zinc/36/80/79/587368079.db2.gz IROFIDTZDPQARE-GASCZTMLSA-N 0 3 247.338 2.251 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1 ZINC000827151423 587371373 /nfs/dbraw/zinc/37/13/73/587371373.db2.gz ASYOESXAECOFHV-VXGBXAGGSA-N 0 3 249.354 2.149 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000827506067 587384684 /nfs/dbraw/zinc/38/46/84/587384684.db2.gz BWRWJVHPPFGNRX-QWRGUYRKSA-N 0 3 233.311 2.243 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H]3C[C@H]3C2)c1 ZINC000827506067 587384686 /nfs/dbraw/zinc/38/46/86/587384686.db2.gz BWRWJVHPPFGNRX-QWRGUYRKSA-N 0 3 233.311 2.243 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1C ZINC000834906628 587770218 /nfs/dbraw/zinc/77/02/18/587770218.db2.gz QVXPPRGLMYCMOZ-SDDRHHMPSA-N 0 3 235.327 2.183 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000834914469 587770641 /nfs/dbraw/zinc/77/06/41/587770641.db2.gz NCQHKSFJWFAQEI-RAIGVLPGSA-N 0 3 235.327 2.265 20 10 BECDHN COCC[C@H](C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000840955771 587931840 /nfs/dbraw/zinc/93/18/40/587931840.db2.gz WXNLQRDVEIBUIP-LBPRGKRZSA-N 0 3 237.343 2.463 20 10 BECDHN CC(C)[C@H]([NH3+])CNCc1c([O-])cccc1Cl ZINC000841030458 587936143 /nfs/dbraw/zinc/93/61/43/587936143.db2.gz RZWPHWMOASUYFY-LLVKDONJSA-N 0 3 242.750 2.119 20 10 BECDHN CC(C)[C@H](N)C[NH2+]Cc1c([O-])cccc1Cl ZINC000841030458 587936145 /nfs/dbraw/zinc/93/61/45/587936145.db2.gz RZWPHWMOASUYFY-LLVKDONJSA-N 0 3 242.750 2.119 20 10 BECDHN CCCC[C@@H](CN)[NH2+]Cc1cccc(F)c1[O-] ZINC000841031369 587936644 /nfs/dbraw/zinc/93/66/44/587936644.db2.gz ZMLHVPZFQLPVKW-NSHDSACASA-N 0 3 240.322 2.138 20 10 BECDHN CCC[NH2+]CCNCc1cc(Cl)ccc1[O-] ZINC000841046620 587939263 /nfs/dbraw/zinc/93/92/63/587939263.db2.gz JSLHSHQLFFGHHE-UHFFFAOYSA-N 0 3 242.750 2.135 20 10 BECDHN C[C@@H](CC[NH3+])NCc1c([O-])ccc(Cl)c1F ZINC000841051569 587939733 /nfs/dbraw/zinc/93/97/33/587939733.db2.gz QGDMHWVDCMLNIA-ZETCQYMHSA-N 0 3 246.713 2.012 20 10 BECDHN [NH3+]C1(CNCc2cccc(Cl)c2[O-])CCC1 ZINC000841049113 587939933 /nfs/dbraw/zinc/93/99/33/587939933.db2.gz MYFQZFDLKLYXJX-UHFFFAOYSA-N 0 3 240.734 2.017 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841758497 587974293 /nfs/dbraw/zinc/97/42/93/587974293.db2.gz ICYKGWVSSKRBOO-GYSYKLTISA-N 0 3 235.327 2.265 20 10 BECDHN CN[C@@H](CC(C)(C)C)C(=O)Nc1ccc(N)cc1 ZINC000841846033 587977281 /nfs/dbraw/zinc/97/72/81/587977281.db2.gz JCRZZNSOGDLSJZ-LBPRGKRZSA-N 0 3 249.358 2.232 20 10 BECDHN C[C@@H](COCC1CC1)[NH2+]Cc1ccccc1[O-] ZINC000846074156 588255465 /nfs/dbraw/zinc/25/54/65/588255465.db2.gz YEHRXPKHFGTLPA-NSHDSACASA-N 0 3 235.327 2.297 20 10 BECDHN C[C@H](COCC1CC1)[NH2+]Cc1ccccc1[O-] ZINC000846074155 588255510 /nfs/dbraw/zinc/25/55/10/588255510.db2.gz YEHRXPKHFGTLPA-LLVKDONJSA-N 0 3 235.327 2.297 20 10 BECDHN COC[C@H](C)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846137894 588258368 /nfs/dbraw/zinc/25/83/68/588258368.db2.gz NRMMQKHOLVPCTD-UWVGGRQHSA-N 0 3 239.315 2.086 20 10 BECDHN COC[C@@H](C)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846137896 588258520 /nfs/dbraw/zinc/25/85/20/588258520.db2.gz NRMMQKHOLVPCTD-ZJUUUORDSA-N 0 3 239.315 2.086 20 10 BECDHN COc1cccc([C@@H](C)[NH2+]CCSC)c1[O-] ZINC000846135512 588258610 /nfs/dbraw/zinc/25/86/10/588258610.db2.gz DFRBKQXKJMAKLK-SECBINFHSA-N 0 3 241.356 2.414 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@](O)(CC)C2)c1[O-] ZINC000848904598 588418433 /nfs/dbraw/zinc/41/84/33/588418433.db2.gz YCFWYXPDXCVYCR-HNNXBMFYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@](O)(CC)C2)c1[O-] ZINC000848904598 588418434 /nfs/dbraw/zinc/41/84/34/588418434.db2.gz YCFWYXPDXCVYCR-HNNXBMFYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+](C)C[C@H](O)C2CC2)c1[O-] ZINC000848910987 588419441 /nfs/dbraw/zinc/41/94/41/588419441.db2.gz CJIMOAJMSWOQQW-AWEZNQCLSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)C[C@H](O)C2CC2)c1[O-] ZINC000848910987 588419442 /nfs/dbraw/zinc/41/94/42/588419442.db2.gz CJIMOAJMSWOQQW-AWEZNQCLSA-N 0 3 249.354 2.157 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+][C@@H]1[C@@H]3CCC[C@@H]31)OCO2 ZINC000850394034 588543871 /nfs/dbraw/zinc/54/38/71/588543871.db2.gz ZISRSAHQVTXFLT-WDAIWFPHSA-N 0 3 247.294 2.009 20 10 BECDHN C[C@H]([NH2+][C@H]1C[C@H](O)C12CCC2)c1ccccc1[O-] ZINC000850546066 588559398 /nfs/dbraw/zinc/55/93/98/588559398.db2.gz JUYGTWNDJKCTLG-BPNCWPANSA-N 0 3 247.338 2.346 20 10 BECDHN CC[C@@H]1CCN(C(=[NH2+])NCc2ccccc2[O-])C1 ZINC000864452780 589365743 /nfs/dbraw/zinc/36/57/43/589365743.db2.gz JEDFEUMHQCFEAK-LLVKDONJSA-N 0 3 247.342 2.148 20 10 BECDHN CC(C)(F)CNCc1ccc2c(c1)CCO2 ZINC000865654826 589454493 /nfs/dbraw/zinc/45/44/93/589454493.db2.gz WHZQIKCGSNSXLY-UHFFFAOYSA-N 0 3 223.291 2.459 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+]CCC1CCC1)OCO2 ZINC000123015789 589652124 /nfs/dbraw/zinc/65/21/24/589652124.db2.gz ZETXSBJEQRMZBF-UHFFFAOYSA-N 0 3 249.310 2.401 20 10 BECDHN Cc1cccc(O)c1CN1C[C@H](C)O[C@@H](C)C1 ZINC000876512321 590206074 /nfs/dbraw/zinc/20/60/74/590206074.db2.gz LNESBUSUQIECAE-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCCO2)c([O-])c1 ZINC000876566839 590216895 /nfs/dbraw/zinc/21/68/95/590216895.db2.gz UXXSZVPXWAKPLG-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCCO2)c([O-])c1 ZINC000876566839 590216896 /nfs/dbraw/zinc/21/68/96/590216896.db2.gz UXXSZVPXWAKPLG-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN C[N@H+](CCC[C@H]1CCO1)Cc1ccccc1[O-] ZINC000876616150 590222461 /nfs/dbraw/zinc/22/24/61/590222461.db2.gz TUALWTMKQZEBGH-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@@H+](CCC[C@H]1CCO1)Cc1ccccc1[O-] ZINC000876616150 590222462 /nfs/dbraw/zinc/22/24/62/590222462.db2.gz TUALWTMKQZEBGH-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCO[C@@H](C)C1 ZINC000876685069 590230164 /nfs/dbraw/zinc/23/01/64/590230164.db2.gz XBBXGNSWMLORSP-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCO[C@@H](C)C1 ZINC000876685069 590230165 /nfs/dbraw/zinc/23/01/65/590230165.db2.gz XBBXGNSWMLORSP-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)c([O-])c1 ZINC000876748796 590236921 /nfs/dbraw/zinc/23/69/21/590236921.db2.gz FRMUARPXZOWQFC-TZMCWYRMSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@@H](C)O)c([O-])c1 ZINC000876748796 590236923 /nfs/dbraw/zinc/23/69/23/590236923.db2.gz FRMUARPXZOWQFC-TZMCWYRMSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000876749436 590237271 /nfs/dbraw/zinc/23/72/71/590237271.db2.gz KCHIMTPVCBKKPU-OLZOCXBDSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000876749436 590237272 /nfs/dbraw/zinc/23/72/72/590237272.db2.gz KCHIMTPVCBKKPU-OLZOCXBDSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000876749439 590237398 /nfs/dbraw/zinc/23/73/98/590237398.db2.gz KCHIMTPVCBKKPU-QWHCGFSZSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000876749439 590237400 /nfs/dbraw/zinc/23/74/00/590237400.db2.gz KCHIMTPVCBKKPU-QWHCGFSZSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H](O)c2ccco2)c([O-])c1 ZINC000876917776 590256979 /nfs/dbraw/zinc/25/69/79/590256979.db2.gz WIEIYBQQSYQQJM-CYBMUJFWSA-N 0 3 247.294 2.117 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H](O)c2ccco2)c([O-])c1 ZINC000876917777 590257125 /nfs/dbraw/zinc/25/71/25/590257125.db2.gz WIEIYBQQSYQQJM-ZDUSSCGKSA-N 0 3 247.294 2.117 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCOC1 ZINC000876955950 590261156 /nfs/dbraw/zinc/26/11/56/590261156.db2.gz FLRKVSVQUXBSGY-LBPRGKRZSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](CO)CC(C)C)c([O-])c1 ZINC000876966547 590261862 /nfs/dbraw/zinc/26/18/62/590261862.db2.gz TYIQOKAZOAPWFF-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+][C@H](CO)CC(C)C)c([O-])c1 ZINC000876966548 590261894 /nfs/dbraw/zinc/26/18/94/590261894.db2.gz TYIQOKAZOAPWFF-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCCO1 ZINC000876971450 590263190 /nfs/dbraw/zinc/26/31/90/590263190.db2.gz ICJOLVQVVIITMF-GFCCVEGCSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H](O)CC(C)C)c([O-])c1 ZINC000876990284 590266369 /nfs/dbraw/zinc/26/63/69/590266369.db2.gz WMRQMJQLVYTJCR-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1CCOCC1 ZINC000876998660 590267362 /nfs/dbraw/zinc/26/73/62/590267362.db2.gz LSRKRSJNLCGLLP-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN CC[C@@H](C)[C@H](O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877024541 590270470 /nfs/dbraw/zinc/27/04/70/590270470.db2.gz HELYFAVZZDRHOS-BXUZGUMPSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCOCC1CC1 ZINC000877027152 590271047 /nfs/dbraw/zinc/27/10/47/590271047.db2.gz JRENNXPTFQIXMM-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN CC[C@@H](O)CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877055250 590275175 /nfs/dbraw/zinc/27/51/75/590275175.db2.gz RATANBFNFZSVJF-GFCCVEGCSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)CCO ZINC000877065284 590276625 /nfs/dbraw/zinc/27/66/25/590276625.db2.gz YAPYPYFCYXRBTC-UHFFFAOYSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCc1cscn1 ZINC000877061398 590276905 /nfs/dbraw/zinc/27/69/05/590276905.db2.gz GVMJUTVWILAQPJ-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CC[C@H](CO)CC2)c([O-])c1 ZINC000877094828 590282116 /nfs/dbraw/zinc/28/21/16/590282116.db2.gz UGLIPNWAKUKLHH-MQMHXKEQSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000877095435 590282148 /nfs/dbraw/zinc/28/21/48/590282148.db2.gz YGWFYRZYGUTVFA-JOCQHMNTSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCC[C@H](C)CO ZINC000877128217 590290038 /nfs/dbraw/zinc/29/00/38/590290038.db2.gz QZWOTGLWHIGKHC-NSHDSACASA-N 0 3 237.343 2.199 20 10 BECDHN Cc1c(C[NH2+]Cc2c(C)cccc2[O-])cnn1C ZINC000877130836 590290101 /nfs/dbraw/zinc/29/01/01/590290101.db2.gz UVIMEXACIDHXTB-UHFFFAOYSA-N 0 3 245.326 2.032 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000877170187 590295912 /nfs/dbraw/zinc/29/59/12/590295912.db2.gz JNISBZDBHKMHBQ-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000877170187 590295914 /nfs/dbraw/zinc/29/59/14/590295914.db2.gz JNISBZDBHKMHBQ-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN CCOCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000877172174 590296484 /nfs/dbraw/zinc/29/64/84/590296484.db2.gz LYVSSZXSMUNKMV-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CCOCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000877172174 590296485 /nfs/dbraw/zinc/29/64/85/590296485.db2.gz LYVSSZXSMUNKMV-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COC1(C[NH2+]Cc2c(C)cccc2[O-])CCC1 ZINC000877182633 590298265 /nfs/dbraw/zinc/29/82/65/590298265.db2.gz PIALNMODKMLAFR-UHFFFAOYSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH+]2CCC(C)(CO)CC2)c([O-])c1 ZINC000877360571 590318800 /nfs/dbraw/zinc/31/88/00/590318800.db2.gz NMULAQYCJSNSED-UHFFFAOYSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[NH2+]CC2(CO)CCCC2)c([O-])c1 ZINC000877404442 590323670 /nfs/dbraw/zinc/32/36/70/590323670.db2.gz BFAAVWGFTAGMHQ-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCOC(F)(F)F ZINC000877469698 590335272 /nfs/dbraw/zinc/33/52/72/590335272.db2.gz YALCMGXJFDFEHZ-UHFFFAOYSA-N 0 3 249.232 2.327 20 10 BECDHN CC[C@@]1([NH2+]Cc2ccc(C)cc2[O-])CCOC1 ZINC000877473691 590336129 /nfs/dbraw/zinc/33/61/29/590336129.db2.gz PXPWTAYKBWNEBZ-CQSZACIVSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCC1(O)CCC1 ZINC000877508202 590343038 /nfs/dbraw/zinc/34/30/38/590343038.db2.gz SHEDBKARKJPFBA-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCCOC(F)F ZINC000877503494 590343329 /nfs/dbraw/zinc/34/33/29/590343329.db2.gz NXEKNBBZTXRJHY-UHFFFAOYSA-N 0 3 245.269 2.420 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000877518738 590345586 /nfs/dbraw/zinc/34/55/86/590345586.db2.gz GGLNBTCBZXHSHI-STQMWFEESA-N 0 3 249.354 2.463 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCC[C@H]1C ZINC000877553081 590354897 /nfs/dbraw/zinc/35/48/97/590354897.db2.gz JAIWJPBITDQMSJ-IUODEOHRSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2COCC2(C)C)c([O-])c1 ZINC000877572791 590363415 /nfs/dbraw/zinc/36/34/15/590363415.db2.gz LAOGTHMQJJJTPO-CYBMUJFWSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]3COC[C@@H]32)c([O-])c1 ZINC000877586185 590367975 /nfs/dbraw/zinc/36/79/75/590367975.db2.gz WGLRDAHYUQCPTD-KGLIPLIRSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H]3COC[C@@H]32)c([O-])c1 ZINC000877586185 590367978 /nfs/dbraw/zinc/36/79/78/590367978.db2.gz WGLRDAHYUQCPTD-KGLIPLIRSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1CCC(O)CC1 ZINC000877635786 590380872 /nfs/dbraw/zinc/38/08/72/590380872.db2.gz DTWVZCNRXBJLLI-UHFFFAOYSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c([O-])c1 ZINC000877646507 590384050 /nfs/dbraw/zinc/38/40/50/590384050.db2.gz JFYSBXTVUDKAKH-TZMCWYRMSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c([O-])c1 ZINC000877646507 590384052 /nfs/dbraw/zinc/38/40/52/590384052.db2.gz JFYSBXTVUDKAKH-TZMCWYRMSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[NH2+][C@]23C[C@H]2COC3(C)C)c([O-])c1 ZINC000877651715 590384746 /nfs/dbraw/zinc/38/47/46/590384746.db2.gz JSBSXGCYLCZIFB-SWLSCSKDSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCC[C@H]2CCO2)c1 ZINC000877652153 590385308 /nfs/dbraw/zinc/38/53/08/590385308.db2.gz COCFFJVEQVNRLS-ZDUSSCGKSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)c([O-])c1 ZINC000877681287 590390143 /nfs/dbraw/zinc/39/01/43/590390143.db2.gz FXVMSSRAVDBKDV-NQBHXWOUSA-N 0 3 235.327 2.356 20 10 BECDHN C[C@@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1[O-] ZINC000877755581 590417336 /nfs/dbraw/zinc/41/73/36/590417336.db2.gz GLTWUXBGGHVFQA-UTUOFQBUSA-N 0 3 235.327 2.468 20 10 BECDHN COC(=O)/C(C)=C/C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651356 590843981 /nfs/dbraw/zinc/84/39/81/590843981.db2.gz RWTBPIRIFNLSNN-UQSGXBNBSA-N 0 3 249.310 2.162 20 10 BECDHN CCCN1CCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000212585961 591416486 /nfs/dbraw/zinc/41/64/86/591416486.db2.gz DNKIUFOYTQVOSD-CYBMUJFWSA-N 0 3 247.342 2.082 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883392044 591644164 /nfs/dbraw/zinc/64/41/64/591644164.db2.gz ZCMDVPSXPJXPLP-UHFFFAOYSA-N 0 3 247.338 2.441 20 10 BECDHN CC[C@H](C)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000132027256 591684531 /nfs/dbraw/zinc/68/45/31/591684531.db2.gz KTMRAJSSWGUCIB-VIFPVBQESA-N 0 3 237.299 2.351 20 10 BECDHN CC[C@H](C)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000132027256 591684533 /nfs/dbraw/zinc/68/45/33/591684533.db2.gz KTMRAJSSWGUCIB-VIFPVBQESA-N 0 3 237.299 2.351 20 10 BECDHN Cc1ccc(O)c(CN2CCOC(C)(C)C2)c1 ZINC000132300926 591699621 /nfs/dbraw/zinc/69/96/21/591699621.db2.gz LNCKOUAGIOQLIY-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN CC(C)OCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000133881901 591865947 /nfs/dbraw/zinc/86/59/47/591865947.db2.gz HRTFMOHWBCODDF-NSHDSACASA-N 0 3 223.316 2.468 20 10 BECDHN C[C@@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000134229616 591903257 /nfs/dbraw/zinc/90/32/57/591903257.db2.gz XUVSYQFMMSQXQP-VIFPVBQESA-N 0 3 249.310 2.257 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC2(CO)CCCC2)c1 ZINC000135073454 591982348 /nfs/dbraw/zinc/98/23/48/591982348.db2.gz GBRVKUWUIVRGHA-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1C[C@]12CCOC2 ZINC000886065360 592142096 /nfs/dbraw/zinc/14/20/96/592142096.db2.gz SPQOCVPPIHOWJN-HIFRSBDPSA-N 0 3 247.338 2.251 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1C[C@]12CCOC2 ZINC000886065360 592142097 /nfs/dbraw/zinc/14/20/97/592142097.db2.gz SPQOCVPPIHOWJN-HIFRSBDPSA-N 0 3 247.338 2.251 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@]12CCOC2 ZINC000886065359 592142313 /nfs/dbraw/zinc/14/23/13/592142313.db2.gz SPQOCVPPIHOWJN-DZGCQCFKSA-N 0 3 247.338 2.251 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@@]12CCOC2 ZINC000886065359 592142315 /nfs/dbraw/zinc/14/23/15/592142315.db2.gz SPQOCVPPIHOWJN-DZGCQCFKSA-N 0 3 247.338 2.251 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC2(CCC2)CO1 ZINC000886289592 592201810 /nfs/dbraw/zinc/20/18/10/592201810.db2.gz YUNFFUNEISCTEH-CYBMUJFWSA-N 0 3 247.338 2.441 20 10 BECDHN CCOC1CC([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000218987742 592202654 /nfs/dbraw/zinc/20/26/54/592202654.db2.gz HKRJNXAONAUWRO-UHFFFAOYSA-N 0 3 235.327 2.358 20 10 BECDHN C[C@@H]1SCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000220662420 592321767 /nfs/dbraw/zinc/32/17/67/592321767.db2.gz OOZOOQMOHXPQKB-ONGXEEELSA-N 0 3 223.341 2.376 20 10 BECDHN [O-]c1ccccc1C[NH2+]Cc1cccc(CO)c1 ZINC000222111958 592467602 /nfs/dbraw/zinc/46/76/02/592467602.db2.gz GPPRKAYAPCZTNW-UHFFFAOYSA-N 0 3 243.306 2.174 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccccc1[O-] ZINC000300613725 592516180 /nfs/dbraw/zinc/51/61/80/592516180.db2.gz STVLIJJLGWFINX-SDDRHHMPSA-N 0 3 235.327 2.468 20 10 BECDHN CO[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000308343745 631297004 /nfs/dbraw/zinc/29/70/04/631297004.db2.gz LPIQREKRZBNMSK-KBPBESRZSA-N 0 3 247.338 2.439 20 10 BECDHN CC(C)(C)OCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000308753885 631361706 /nfs/dbraw/zinc/36/17/06/631361706.db2.gz VMHWNIPKZBGPGZ-UHFFFAOYSA-N 0 3 241.306 2.436 20 10 BECDHN C[C@@H]([NH2+]Cc1cncn1C)c1cc(F)ccc1[O-] ZINC000289842449 632648570 /nfs/dbraw/zinc/64/85/70/632648570.db2.gz PZAKMDAGRRBMFP-SECBINFHSA-N 0 3 249.289 2.116 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000310115242 632702744 /nfs/dbraw/zinc/70/27/44/632702744.db2.gz CAOUWIFCOCKGKE-AAEUAGOBSA-N 0 3 235.327 2.033 20 10 BECDHN CC[C@@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310250072 632711620 /nfs/dbraw/zinc/71/16/20/632711620.db2.gz JZYIDGUVNLOZOC-RYUDHWBXSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H]([NH2+]C[C@](C)(O)C1CC1)c1ccccc1[O-] ZINC000310442065 632742524 /nfs/dbraw/zinc/74/25/24/632742524.db2.gz SQEZAFQTNPPXIO-HZMBPMFUSA-N 0 3 235.327 2.204 20 10 BECDHN C[C@H](O)C[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310472312 632746857 /nfs/dbraw/zinc/74/68/57/632746857.db2.gz IXRGELFZODVFES-JBLDHEPKSA-N 0 3 235.327 2.129 20 10 BECDHN COC(CC[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000879648877 635872681 /nfs/dbraw/zinc/87/26/81/635872681.db2.gz DOMXPSCAMYFQFK-SNVBAGLBSA-N 0 3 239.315 2.052 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCOC(F)(F)F ZINC000162957919 633042840 /nfs/dbraw/zinc/04/28/40/633042840.db2.gz CORGOYWWDWJBLG-UHFFFAOYSA-N 0 3 235.205 2.018 20 10 BECDHN COCC1([NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000309432379 633065404 /nfs/dbraw/zinc/06/54/04/633065404.db2.gz GMKGNOLVJYZRQE-SNVBAGLBSA-N 0 3 221.300 2.222 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)O)c1[O-] ZINC000309878561 633889758 /nfs/dbraw/zinc/88/97/58/633889758.db2.gz ULKAHHXZIBFAPY-RKDXNWHRSA-N 0 3 243.734 2.385 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)OC)c1ccccc1[O-] ZINC000182435761 633945080 /nfs/dbraw/zinc/94/50/80/633945080.db2.gz ZPGWMGKMBPIYHN-CMPLNLGQSA-N 0 3 223.316 2.468 20 10 BECDHN COc1cccc([O-])c1C[NH2+]CCCCF ZINC000309840755 634022802 /nfs/dbraw/zinc/02/28/02/634022802.db2.gz DAWRMJGBGAYHKA-UHFFFAOYSA-N 0 3 227.279 2.240 20 10 BECDHN CC[C@](C)(C[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000322639363 636875384 /nfs/dbraw/zinc/87/53/84/636875384.db2.gz TWTBVZNTPFIESL-CYBMUJFWSA-N 0 3 241.306 2.436 20 10 BECDHN CC[C@H]([NH2+]CCn1cccn1)c1ccccc1[O-] ZINC000042538924 637278216 /nfs/dbraw/zinc/27/82/16/637278216.db2.gz JKTZJIKNPFKWTN-ZDUSSCGKSA-N 0 3 245.326 2.330 20 10 BECDHN CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000158219991 640824804 /nfs/dbraw/zinc/82/48/04/640824804.db2.gz CZYJPRIKNSJMRC-QWHCGFSZSA-N 0 3 235.327 2.439 20 10 BECDHN C[C@@H](CO)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311177209 640830815 /nfs/dbraw/zinc/83/08/15/640830815.db2.gz VHYWGIZAQKGLTQ-YPMHNXCESA-N 0 3 249.354 2.378 20 10 BECDHN CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000227826407 640850664 /nfs/dbraw/zinc/85/06/64/640850664.db2.gz UGSKVKCVSBNJDF-CHWSQXEVSA-N 0 3 235.327 2.295 20 10 BECDHN CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000227826420 640851094 /nfs/dbraw/zinc/85/10/94/640851094.db2.gz UGSKVKCVSBNJDF-QWHCGFSZSA-N 0 3 235.327 2.295 20 10 BECDHN C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000228087756 640860602 /nfs/dbraw/zinc/86/06/02/640860602.db2.gz OGJIPWRILGUFGM-UTLUCORTSA-N 0 3 241.306 2.341 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCC(F)(F)F ZINC000063099064 641131549 /nfs/dbraw/zinc/13/15/49/641131549.db2.gz MABMZQFFDMAYCZ-UHFFFAOYSA-N 0 3 219.206 2.434 20 10 BECDHN C[C@H]([NH2+]Cc1cncn1C)c1cc(F)ccc1[O-] ZINC000289844196 642320929 /nfs/dbraw/zinc/32/09/29/642320929.db2.gz PZAKMDAGRRBMFP-VIFPVBQESA-N 0 3 249.289 2.116 20 10 BECDHN C[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000305855745 642708429 /nfs/dbraw/zinc/70/84/29/642708429.db2.gz BNNZQVHZOFMNKK-SKDRFNHKSA-N 0 3 239.290 2.046 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)CCO)c([O-])c1 ZINC000097439711 643131326 /nfs/dbraw/zinc/13/13/26/643131326.db2.gz KCJAKFGUPZSGJY-NEPJUHHUSA-N 0 3 237.343 2.370 20 10 BECDHN CC1(C)CC[C@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000184768851 643237052 /nfs/dbraw/zinc/23/70/52/643237052.db2.gz DLIHTLMKPBJJSA-GFCCVEGCSA-N 0 3 235.327 2.439 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCCCCCO ZINC000083369415 643440432 /nfs/dbraw/zinc/44/04/32/643440432.db2.gz RESCOQBJNTYKLK-UHFFFAOYSA-N 0 3 241.306 2.174 20 10 BECDHN CCOC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000044688686 643548079 /nfs/dbraw/zinc/54/80/79/643548079.db2.gz PDIYSYCEVSBZRQ-WDEREUQCSA-N 0 3 223.316 2.468 20 10 BECDHN CC[C@H](C)[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000248385032 644676395 /nfs/dbraw/zinc/67/63/95/644676395.db2.gz GYCQFIWHSZBRRN-MISXGVKJSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H](C[C@H](C)O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000252763528 644899912 /nfs/dbraw/zinc/89/99/12/644899912.db2.gz OGJIPWRILGUFGM-KXUCPTDWSA-N 0 3 241.306 2.341 20 10 BECDHN CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(F)cc1[O-] ZINC000817979832 644993318 /nfs/dbraw/zinc/99/33/18/644993318.db2.gz PNOJIIRXJCWQIW-LNLATYFQSA-N 0 3 240.322 2.308 20 10 BECDHN C[C@H](CO)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000846057029 645396090 /nfs/dbraw/zinc/39/60/90/645396090.db2.gz CSLUBLHMKVVPCH-GFCCVEGCSA-N 0 3 249.354 2.233 20 10 BECDHN CC[C@@H]([NH2+][C@@H](CO)CCF)c1ccccc1[O-] ZINC000846096692 645403145 /nfs/dbraw/zinc/40/31/45/645403145.db2.gz KGLGDVGQADGBNS-ZYHUDNBSSA-N 0 3 241.306 2.153 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000877628005 645802508 /nfs/dbraw/zinc/80/25/08/645802508.db2.gz CGLIPPXKCSKBRA-JYAVWHMHSA-N 0 3 249.354 2.149 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000877628005 645802515 /nfs/dbraw/zinc/80/25/15/645802515.db2.gz CGLIPPXKCSKBRA-JYAVWHMHSA-N 0 3 249.354 2.149 20 10 BECDHN COC/C(C)=C\C[N@H+](C)Cc1ccccc1[O-] ZINC000929976819 646381470 /nfs/dbraw/zinc/38/14/70/646381470.db2.gz QIZZTMBJFBDAPP-WQLSENKSSA-N 0 3 235.327 2.417 20 10 BECDHN COC/C(C)=C\C[N@@H+](C)Cc1ccccc1[O-] ZINC000929976819 646381475 /nfs/dbraw/zinc/38/14/75/646381475.db2.gz QIZZTMBJFBDAPP-WQLSENKSSA-N 0 3 235.327 2.417 20 10 BECDHN CO[C@H]1C[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000708711148 712197373 /nfs/dbraw/zinc/19/73/73/712197373.db2.gz LBWKUZVKFVBIMI-WVSHTKLVSA-N 0 3 239.290 2.046 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1(C2CC2)CC1 ZINC000380328177 712886822 /nfs/dbraw/zinc/88/68/22/712886822.db2.gz MWYDDZCDCIIHPV-UHFFFAOYSA-N 0 3 203.285 2.424 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000389897308 711095756 /nfs/dbraw/zinc/09/57/56/711095756.db2.gz BABYTRSBJUMUNY-PJXYFTJBSA-N 0 3 203.285 2.280 20 10 BECDHN C[C@@H]([NH2+]CCc1cnccn1)c1ccccc1[O-] ZINC000389967100 711101266 /nfs/dbraw/zinc/10/12/66/711101266.db2.gz QRLTUJJIMFOFSZ-LLVKDONJSA-N 0 3 243.310 2.076 20 10 BECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(C)(C)O ZINC000393971766 711180654 /nfs/dbraw/zinc/18/06/54/711180654.db2.gz OAQGMEQHSHBUDO-ONGXEEELSA-N 0 3 235.327 2.129 20 10 BECDHN CC(C)[C@@H](CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000394065815 711183146 /nfs/dbraw/zinc/18/31/46/711183146.db2.gz ZRSMTJSYXMJBBB-CHWSQXEVSA-N 0 3 249.354 2.234 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(CCO)CC1)CC2 ZINC000381023236 710597197 /nfs/dbraw/zinc/59/71/97/710597197.db2.gz PUADAALJXSUKBB-LBPRGKRZSA-N 0 3 247.338 2.132 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H](C)O1 ZINC000385120436 711665397 /nfs/dbraw/zinc/66/53/97/711665397.db2.gz KASZETQPVKYOTK-KBVBSXBZSA-N 0 3 239.290 2.187 20 10 BECDHN CCN1CCN(Cc2cc(C)c(C)cc2O)CC1 ZINC000125100668 711716508 /nfs/dbraw/zinc/71/65/08/711716508.db2.gz HQFXIMTULOROEV-UHFFFAOYSA-N 0 3 248.370 2.147 20 10 BECDHN CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1[O-] ZINC000042544574 711808638 /nfs/dbraw/zinc/80/86/38/711808638.db2.gz LAPIFNHSMSHJQV-DGCLKSJQSA-N 0 3 234.343 2.137 20 10 BECDHN CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1[O-] ZINC000042544576 711808660 /nfs/dbraw/zinc/80/86/60/711808660.db2.gz LAPIFNHSMSHJQV-AAEUAGOBSA-N 0 3 234.343 2.137 20 10 BECDHN Cc1ncc(C[NH2+][C@@H](C)c2ccccc2[O-])n1C ZINC000701827236 712030127 /nfs/dbraw/zinc/03/01/27/712030127.db2.gz YSMWIHMWUGIMNH-JTQLQIEISA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCOCCF)c([O-])c1 ZINC000702638355 712057830 /nfs/dbraw/zinc/05/78/30/712057830.db2.gz LRTZBMBCHCJPBY-NSHDSACASA-N 0 3 241.306 2.337 20 10 BECDHN CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000706177231 712141382 /nfs/dbraw/zinc/14/13/82/712141382.db2.gz CNLXGHMGXXJUSF-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000706177231 712141384 /nfs/dbraw/zinc/14/13/84/712141384.db2.gz CNLXGHMGXXJUSF-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN CSC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000706793978 712156026 /nfs/dbraw/zinc/15/60/26/712156026.db2.gz AXSPILYSWMRQCS-UHFFFAOYSA-N 0 3 223.341 2.376 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1(CO)CC1 ZINC000710185118 712247728 /nfs/dbraw/zinc/24/77/28/712247728.db2.gz OJPVBZUUCAWHRK-WDEREUQCSA-N 0 3 235.327 2.204 20 10 BECDHN COC(C)(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000711856135 712335573 /nfs/dbraw/zinc/33/55/73/712335573.db2.gz SROUZEOHMYVYEZ-UHFFFAOYSA-N 0 3 241.306 2.436 20 10 BECDHN CCN1CC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000712612564 712437866 /nfs/dbraw/zinc/43/78/66/712437866.db2.gz BEVYCNIWNTVDAQ-OLZOCXBDSA-N 0 3 246.354 2.063 20 10 BECDHN CCC[C@H](CCO)[NH2+]Cc1ccccc1[O-] ZINC000716930227 712596846 /nfs/dbraw/zinc/59/68/46/712596846.db2.gz LFTKFTZOBLPJNQ-GFCCVEGCSA-N 0 3 223.316 2.033 20 10 BECDHN C[C@@H]([NH2+][C@H](CO)C1CCC1)c1ccccc1[O-] ZINC000717603448 712662084 /nfs/dbraw/zinc/66/20/84/712662084.db2.gz IDXYJAZJAICCAK-ZWNOBZJWSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000720993200 712886194 /nfs/dbraw/zinc/88/61/94/712886194.db2.gz BFBRQIRBNAUQMO-UTUOFQBUSA-N 0 3 235.327 2.122 20 10 BECDHN CC[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000720995356 712886422 /nfs/dbraw/zinc/88/64/22/712886422.db2.gz QYHAXELNEHLPAN-LOWVWBTDSA-N 0 3 235.327 2.204 20 10 BECDHN Nc1ccc(CCNCc2nccs2)cc1 ZINC000049538981 1165743289 /nfs/dbraw/zinc/74/32/89/1165743289.db2.gz QMOUAVUOYCFBEJ-UHFFFAOYSA-N 0 3 233.340 2.058 20 10 BECDHN CCC[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC000041049384 1165777907 /nfs/dbraw/zinc/77/79/07/1165777907.db2.gz HMRUIPKXDYUJHB-SECBINFHSA-N 0 3 209.289 2.376 20 10 BECDHN C[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874325 966790650 /nfs/dbraw/zinc/79/06/50/966790650.db2.gz UEDHNWZZMTUKFZ-JTQLQIEISA-N 0 3 221.300 2.330 20 10 BECDHN CC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204272260 966952040 /nfs/dbraw/zinc/95/20/40/966952040.db2.gz LCMSIDLTVBHHSH-UHFFFAOYSA-N 0 3 221.300 2.330 20 10 BECDHN CCSC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000127508236 1166025084 /nfs/dbraw/zinc/02/50/84/1166025084.db2.gz SYGSMIBNXZXISF-VIFPVBQESA-N 0 3 241.356 2.329 20 10 BECDHN COCC[N@H+](Cc1ccccc1[O-])C(C)C ZINC000132777828 1166151996 /nfs/dbraw/zinc/15/19/96/1166151996.db2.gz UKTHDBRLHYKSIP-UHFFFAOYSA-N 0 3 223.316 2.249 20 10 BECDHN COCC[N@@H+](Cc1ccccc1[O-])C(C)C ZINC000132777828 1166152000 /nfs/dbraw/zinc/15/20/00/1166152000.db2.gz UKTHDBRLHYKSIP-UHFFFAOYSA-N 0 3 223.316 2.249 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@H]1CC[C@H]1C ZINC000309867795 1166664091 /nfs/dbraw/zinc/66/40/91/1166664091.db2.gz PISSGYAVPXABEQ-KOLCDFICSA-N 0 3 221.300 2.289 20 10 BECDHN CN(C)c1ccc(CN2CC[C@H](F)C2)c(O)c1 ZINC001232836243 978310715 /nfs/dbraw/zinc/31/07/15/978310715.db2.gz MHSQDJWTTVDSEI-NSHDSACASA-N 0 3 238.306 2.002 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1=CCOCC1)CC2 ZINC000397755143 1169259574 /nfs/dbraw/zinc/25/95/74/1169259574.db2.gz RQMFHQNNEVTTMV-CYBMUJFWSA-N 0 3 245.322 2.316 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000402685819 970832107 /nfs/dbraw/zinc/83/21/07/970832107.db2.gz KAFYYTFKVKGDKF-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000402685819 970832115 /nfs/dbraw/zinc/83/21/15/970832115.db2.gz KAFYYTFKVKGDKF-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1ccc(O)c(CNCc2ccns2)c1 ZINC000404346567 971158130 /nfs/dbraw/zinc/15/81/30/971158130.db2.gz VUUWEWJHPRFZET-UHFFFAOYSA-N 0 3 234.324 2.447 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001140948183 960741808 /nfs/dbraw/zinc/74/18/08/960741808.db2.gz WYTLMSJTMFOEMJ-SWLSCSKDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001140948183 960741819 /nfs/dbraw/zinc/74/18/19/960741819.db2.gz WYTLMSJTMFOEMJ-SWLSCSKDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001140947872 960743571 /nfs/dbraw/zinc/74/35/71/960743571.db2.gz JCHYDWDBAIMKJL-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001140947872 960743581 /nfs/dbraw/zinc/74/35/81/960743581.db2.gz JCHYDWDBAIMKJL-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(CN2C[C@@H](C)[C@@H](F)C2)c(O)c1 ZINC001140947961 960745195 /nfs/dbraw/zinc/74/51/95/960745195.db2.gz NGVIAQGIUSGIGG-PWSUYJOCSA-N 0 3 223.291 2.490 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001140947757 960750439 /nfs/dbraw/zinc/75/04/39/960750439.db2.gz DRHANELDOHTUAY-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001140947757 960750458 /nfs/dbraw/zinc/75/04/58/960750458.db2.gz DRHANELDOHTUAY-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN CC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957466 960755284 /nfs/dbraw/zinc/75/52/84/960755284.db2.gz AALXBUWXSCCXOG-LBPRGKRZSA-N 0 3 233.311 2.112 20 10 BECDHN CC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957466 960755298 /nfs/dbraw/zinc/75/52/98/960755298.db2.gz AALXBUWXSCCXOG-LBPRGKRZSA-N 0 3 233.311 2.112 20 10 BECDHN CC[C@@]12C[C@@H](CO1)N(Cc1ccc(C)cc1O)C2 ZINC001140957744 960755747 /nfs/dbraw/zinc/75/57/47/960755747.db2.gz MIITZYXPNRZNRN-ZFWWWQNUSA-N 0 3 247.338 2.454 20 10 BECDHN CC(C)(C)c1cccc(CN2CC(CO)C2)c1O ZINC001143111019 961881785 /nfs/dbraw/zinc/88/17/85/961881785.db2.gz UPNAPQKWUFDKQR-UHFFFAOYSA-N 0 3 249.354 2.114 20 10 BECDHN Cn1cccc1CN1CCc2cccc(O)c2C1 ZINC001203267308 966589087 /nfs/dbraw/zinc/58/90/87/966589087.db2.gz JKUOJPVKTOCCIZ-UHFFFAOYSA-N 0 3 242.322 2.289 20 10 BECDHN Oc1ccccc1CN1C[C@@H]2C[C@@H]2[C@@H](F)C1 ZINC001203549931 966674017 /nfs/dbraw/zinc/67/40/17/966674017.db2.gz DCAQOXXAFYGCFI-SRVKXCTJSA-N 0 3 221.275 2.182 20 10 BECDHN [O-]c1ccccc1C[NH+]1CCC2(CCOC2)CC1 ZINC001203550152 966679329 /nfs/dbraw/zinc/67/93/29/966679329.db2.gz KGGVNAMSNVUWMI-UHFFFAOYSA-N 0 3 247.338 2.395 20 10 BECDHN [O-]c1ccccc1C[NH+]1CCC2(COC2)CC1 ZINC001203546860 966681114 /nfs/dbraw/zinc/68/11/14/966681114.db2.gz APUPOUFQTVPXPS-UHFFFAOYSA-N 0 3 233.311 2.005 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001203550227 966682120 /nfs/dbraw/zinc/68/21/20/966682120.db2.gz NCXYFBFXTXNNFO-RISCZKNCSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001203550227 966682124 /nfs/dbraw/zinc/68/21/24/966682124.db2.gz NCXYFBFXTXNNFO-RISCZKNCSA-N 0 3 233.311 2.003 20 10 BECDHN C[C@@]1(O)CCCC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550477 966682685 /nfs/dbraw/zinc/68/26/85/966682685.db2.gz VIBMJCFABFCQTR-CQSZACIVSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@@]1(O)CCCC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550477 966682697 /nfs/dbraw/zinc/68/26/97/966682697.db2.gz VIBMJCFABFCQTR-CQSZACIVSA-N 0 3 235.327 2.129 20 10 BECDHN CC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203556677 966690459 /nfs/dbraw/zinc/69/04/59/966690459.db2.gz WBWKIWOITHJART-UHFFFAOYSA-N 0 3 233.311 2.193 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000691301111 966787942 /nfs/dbraw/zinc/78/79/42/966787942.db2.gz CQGGGMKLBNCMJU-JSGCOSHPSA-N 0 3 233.311 2.049 20 10 BECDHN C[C@]1(F)CCCN(Cc2ccc(O)cc2O)C1 ZINC001204276795 966949944 /nfs/dbraw/zinc/94/99/44/966949944.db2.gz RNAFAZRGUWSILS-ZDUSSCGKSA-N 0 3 239.290 2.422 20 10 BECDHN C[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204272546 966954696 /nfs/dbraw/zinc/95/46/96/966954696.db2.gz PZLZPLNKAJPHPT-VIFPVBQESA-N 0 3 207.273 2.082 20 10 BECDHN C[C@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204272546 966954703 /nfs/dbraw/zinc/95/47/03/966954703.db2.gz PZLZPLNKAJPHPT-VIFPVBQESA-N 0 3 207.273 2.082 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](CF)C1 ZINC001204278815 966960012 /nfs/dbraw/zinc/96/00/12/966960012.db2.gz KGRDMBBJQCZZIH-JTQLQIEISA-N 0 3 239.290 2.279 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](CF)C1 ZINC001204278815 966960017 /nfs/dbraw/zinc/96/00/17/966960017.db2.gz KGRDMBBJQCZZIH-JTQLQIEISA-N 0 3 239.290 2.279 20 10 BECDHN CC(C)(O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001252368667 968648162 /nfs/dbraw/zinc/64/81/62/968648162.db2.gz LVJREDWCNGZBEN-UHFFFAOYSA-N 0 3 245.322 2.406 20 10 BECDHN O=C1C[C@H]2CC([NH2+]Cc3ccccc3[O-])C[C@@H]2C1 ZINC001254921732 969822179 /nfs/dbraw/zinc/82/21/79/969822179.db2.gz GHBBFUJJKFRFLH-VXGBXAGGSA-N 0 3 245.322 2.240 20 10 BECDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCSC1)CC2 ZINC001255290330 970045736 /nfs/dbraw/zinc/04/57/36/970045736.db2.gz CRYUZWGNFYGEEX-NSHDSACASA-N 0 3 235.352 2.256 20 10 BECDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCSC1)CC2 ZINC001255290330 970045744 /nfs/dbraw/zinc/04/57/44/970045744.db2.gz CRYUZWGNFYGEEX-NSHDSACASA-N 0 3 235.352 2.256 20 10 BECDHN C[C@@H]([NH2+]CCc1cncn1C)c1ccccc1[O-] ZINC000401796327 970726723 /nfs/dbraw/zinc/72/67/23/970726723.db2.gz FLKVGIQCKQBWNF-LLVKDONJSA-N 0 3 245.326 2.019 20 10 BECDHN Cc1cnccc1N(CCO)c1ccc(N)cc1 ZINC001174537924 976823808 /nfs/dbraw/zinc/82/38/08/976823808.db2.gz VTWYFARQYFDHAC-UHFFFAOYSA-N 0 3 243.310 2.103 20 10 BECDHN Cc1cnccc1Nc1ccccc1O ZINC001174539772 976829614 /nfs/dbraw/zinc/82/96/14/976829614.db2.gz QTWKCKHIXCHMIQ-UHFFFAOYSA-N 0 3 200.241 2.261 20 10 BECDHN CC(=O)[C@@H]1CCCN1Cc1cccc(C)c1O ZINC001231594365 977641114 /nfs/dbraw/zinc/64/11/14/977641114.db2.gz CDCSTWRQHBLEAU-ZDUSSCGKSA-N 0 3 233.311 2.254 20 10 BECDHN Cc1cccc(CN2CCCC23COC3)c1O ZINC001231592543 977642859 /nfs/dbraw/zinc/64/28/59/977642859.db2.gz OGFPZDDKWXBIJD-UHFFFAOYSA-N 0 3 233.311 2.065 20 10 BECDHN CC[C@@]12C[C@@H](CO1)N(Cc1cccc(C)c1O)C2 ZINC001231592099 977644257 /nfs/dbraw/zinc/64/42/57/977644257.db2.gz BIMPGMXAERQKAR-ZFWWWQNUSA-N 0 3 247.338 2.454 20 10 BECDHN Cc1cccc(CN2CCCCC23COC3)c1O ZINC001231593241 977644610 /nfs/dbraw/zinc/64/46/10/977644610.db2.gz RZQHKWBMIGYOMM-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Oc1cc(CN2C[C@@H]3CCC[C@@H]3C2)cc(O)c1O ZINC001233011085 978415359 /nfs/dbraw/zinc/41/53/59/978415359.db2.gz YSAYDBZSKOFYPP-PHIMTYICSA-N 0 3 249.310 2.035 20 10 BECDHN [O-]c1ccccc1C[NH+]1CCC(F)CC1 ZINC000689909075 979064607 /nfs/dbraw/zinc/06/46/07/979064607.db2.gz LXSPZURHUKXSSP-UHFFFAOYSA-N 0 3 209.264 2.326 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](COC)C2)c([O-])c1 ZINC001236783254 979734538 /nfs/dbraw/zinc/73/45/38/979734538.db2.gz IWMFTKFWGARNFM-CYBMUJFWSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](COC)C2)c([O-])c1 ZINC001236783254 979734545 /nfs/dbraw/zinc/73/45/45/979734545.db2.gz IWMFTKFWGARNFM-CYBMUJFWSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[NH+]2CC=CC2)c([O-])c1 ZINC001236782417 979734802 /nfs/dbraw/zinc/73/48/02/979734802.db2.gz BGYOOQAHWFMVOH-UHFFFAOYSA-N 0 3 203.285 2.326 20 10 BECDHN CCc1ccc(CN2CCCC23COC3)c(O)c1 ZINC001236794428 979737336 /nfs/dbraw/zinc/73/73/36/979737336.db2.gz MQAIAMBPDAELLK-UHFFFAOYSA-N 0 3 247.338 2.319 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001237044996 979807388 /nfs/dbraw/zinc/80/73/88/979807388.db2.gz GXMCUPCPDNUSQR-OAHLLOKOSA-N 0 3 249.354 2.472 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001237044996 979807394 /nfs/dbraw/zinc/80/73/94/979807394.db2.gz GXMCUPCPDNUSQR-OAHLLOKOSA-N 0 3 249.354 2.472 20 10 BECDHN CC(C)c1ccc(CN2CC(N(C)C)C2)c(O)c1 ZINC001237045990 979809198 /nfs/dbraw/zinc/80/91/98/979809198.db2.gz ONYSXLCCICNBCZ-UHFFFAOYSA-N 0 3 248.370 2.261 20 10 BECDHN Cc1cccc(O)c1CN1CCCC(=O)CC1 ZINC001237486342 979910229 /nfs/dbraw/zinc/91/02/29/979910229.db2.gz QSNYXZIOHASGBG-UHFFFAOYSA-N 0 3 233.311 2.256 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001237484703 979912753 /nfs/dbraw/zinc/91/27/53/979912753.db2.gz HWNHQMAHKCUGOZ-TXEJJXNPSA-N 0 3 245.322 2.397 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001237484703 979912759 /nfs/dbraw/zinc/91/27/59/979912759.db2.gz HWNHQMAHKCUGOZ-TXEJJXNPSA-N 0 3 245.322 2.397 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001237486172 979913181 /nfs/dbraw/zinc/91/31/81/979913181.db2.gz WMJRBALEKAZODZ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@@H](O)CC1 ZINC001237486172 979913187 /nfs/dbraw/zinc/91/31/87/979913187.db2.gz WMJRBALEKAZODZ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN CC[N@H+](Cc1c(C)cccc1[O-])CC(C)(C)O ZINC001237492033 979917426 /nfs/dbraw/zinc/91/74/26/979917426.db2.gz NTSJKHJLFPOXAW-UHFFFAOYSA-N 0 3 237.343 2.293 20 10 BECDHN CC[N@@H+](Cc1c(C)cccc1[O-])CC(C)(C)O ZINC001237492033 979917430 /nfs/dbraw/zinc/91/74/30/979917430.db2.gz NTSJKHJLFPOXAW-UHFFFAOYSA-N 0 3 237.343 2.293 20 10 BECDHN CC[C@@H]1COCCN1Cc1c(C)cccc1O ZINC001237487875 979917765 /nfs/dbraw/zinc/91/77/65/979917765.db2.gz NZDSFCPPPFDXQW-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Oc1ccc(CN2CCCC23CC3)cc1O ZINC001203873265 982544017 /nfs/dbraw/zinc/54/40/17/982544017.db2.gz AHXMGLZPDNJCDS-UHFFFAOYSA-N 0 3 219.284 2.226 20 10 BECDHN CC(C)Cn1ccc(C2=CCCN(C)C2)cc1=O ZINC001241572307 982826299 /nfs/dbraw/zinc/82/62/99/982826299.db2.gz VTDRNGWCHUDBAI-UHFFFAOYSA-N 0 3 246.354 2.223 20 10 BECDHN C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2[O-])[C@@H](C)O1 ZINC000686515631 985125031 /nfs/dbraw/zinc/12/50/31/985125031.db2.gz UFHCTCKLYODDPQ-WZRBSPASSA-N 0 3 235.327 2.295 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCCN(C)C1 ZINC001255492410 986988175 /nfs/dbraw/zinc/98/81/75/986988175.db2.gz DDNDQOSEXZBBGK-AWEZNQCLSA-N 0 3 248.370 2.308 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCN(C)C1 ZINC001255492410 986988186 /nfs/dbraw/zinc/98/81/86/986988186.db2.gz DDNDQOSEXZBBGK-AWEZNQCLSA-N 0 3 248.370 2.308 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H]3CC[C@H]2O3)c([O-])c1 ZINC001474760262 987818426 /nfs/dbraw/zinc/81/84/26/987818426.db2.gz KOKAYJYRIAHUHI-OUCADQQQSA-N 0 3 233.311 2.110 20 10 BECDHN Nc1ccc(CN2CCOCC23CCCC3)cc1 ZINC000388653756 993734205 /nfs/dbraw/zinc/73/42/05/993734205.db2.gz SPTRPQSDUCDOOE-UHFFFAOYSA-N 0 3 246.354 2.414 20 10 BECDHN CCC[C@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000019902666 1170140439 /nfs/dbraw/zinc/14/04/39/1170140439.db2.gz KDVBDGXTKMDJAT-VIFPVBQESA-N 0 3 209.289 2.376 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)[C@H](C)O ZINC001615686620 1170529469 /nfs/dbraw/zinc/52/94/69/1170529469.db2.gz RSROWVGUFAHEBF-NEPJUHHUSA-N 0 3 237.343 2.374 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)[C@H](C)O ZINC001615686620 1170529478 /nfs/dbraw/zinc/52/94/78/1170529478.db2.gz RSROWVGUFAHEBF-NEPJUHHUSA-N 0 3 237.343 2.374 20 10 BECDHN CCC(CC)(CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000124818875 168329700 /nfs/dbraw/zinc/32/97/00/168329700.db2.gz JPCCFSSEXMSWID-UHFFFAOYSA-N 0 3 237.343 2.341 20 10 BECDHN CCC(CC)(CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000071409228 168329985 /nfs/dbraw/zinc/32/99/85/168329985.db2.gz RCYVIBIHFITAJF-UHFFFAOYSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1cc(CNCc2cccc(C)c2O)n(C)n1 ZINC000284271538 178027402 /nfs/dbraw/zinc/02/74/02/178027402.db2.gz GYKGNWTUOHSZOB-UHFFFAOYSA-N 0 3 245.326 2.032 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)[C@H]2CCOC2)cc1C ZINC000106858165 178195141 /nfs/dbraw/zinc/19/51/41/178195141.db2.gz JQRMNLYTQZHKAB-ZDUSSCGKSA-N 0 3 235.327 2.230 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)[C@H]2CCOC2)cc1C ZINC000106858165 178195143 /nfs/dbraw/zinc/19/51/43/178195143.db2.gz JQRMNLYTQZHKAB-ZDUSSCGKSA-N 0 3 235.327 2.230 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](C)[C@@H]2CO)cc1C ZINC000191185955 178195475 /nfs/dbraw/zinc/19/54/75/178195475.db2.gz RKFRQHNDBVGDOP-HZMBPMFUSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2CO)cc1C ZINC000191185955 178195477 /nfs/dbraw/zinc/19/54/77/178195477.db2.gz RKFRQHNDBVGDOP-HZMBPMFUSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CCC[C@@H](C)O)cc1C ZINC000278589184 178196782 /nfs/dbraw/zinc/19/67/82/178196782.db2.gz GRRQMKKYBSGRSW-GFCCVEGCSA-N 0 3 237.343 2.260 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CCC2(O)CCC2)cc1C ZINC000283873237 178196944 /nfs/dbraw/zinc/19/69/44/178196944.db2.gz GUNPESHZDRTBOB-UHFFFAOYSA-N 0 3 249.354 2.404 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CCC[C@H](C)O)cc1C ZINC000278589185 178197060 /nfs/dbraw/zinc/19/70/60/178197060.db2.gz GRRQMKKYBSGRSW-LBPRGKRZSA-N 0 3 237.343 2.260 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCC[C@H]2O)cc1C ZINC000185169912 178197422 /nfs/dbraw/zinc/19/74/22/178197422.db2.gz QKPSNFSBDBCQBZ-ZIAGYGMSSA-N 0 3 249.354 2.402 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCOC[C@H](C)C2)c1 ZINC000370053958 398249495 /nfs/dbraw/zinc/24/94/95/398249495.db2.gz SJSXARGRTSVTGK-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCOC[C@H](C)C2)c1 ZINC000370053958 398249501 /nfs/dbraw/zinc/24/95/01/398249501.db2.gz SJSXARGRTSVTGK-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN CN(Cc1cccn1C)Cc1ccccc1O ZINC000091974676 398304196 /nfs/dbraw/zinc/30/41/96/398304196.db2.gz FZIHONZAOJSJJU-UHFFFAOYSA-N 0 3 230.311 2.363 20 10 BECDHN CC[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1[O-] ZINC000037738069 343353644 /nfs/dbraw/zinc/35/36/44/343353644.db2.gz OZUSVYXHPXICGZ-YPMHNXCESA-N 0 3 235.327 2.469 20 10 BECDHN CC[N@H+](Cc1cc(OC)ccc1[O-])C1CC1 ZINC000179684002 346992565 /nfs/dbraw/zinc/99/25/65/346992565.db2.gz GBSNTCOJHSMHSB-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])C1CC1 ZINC000179684002 346992567 /nfs/dbraw/zinc/99/25/67/346992567.db2.gz GBSNTCOJHSMHSB-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976158 343958121 /nfs/dbraw/zinc/95/81/21/343958121.db2.gz ZITDVRLBVWVRQX-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976158 343958123 /nfs/dbraw/zinc/95/81/23/343958123.db2.gz ZITDVRLBVWVRQX-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CC[C@@H]([NH2+][C@H](C)CCO)c1ccccc1[O-] ZINC000120627934 344896441 /nfs/dbraw/zinc/89/64/41/344896441.db2.gz PVTMMBVOOIWYNH-ZYHUDNBSSA-N 0 3 223.316 2.204 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)C(C)C)c1 ZINC000092392361 178805348 /nfs/dbraw/zinc/80/53/48/178805348.db2.gz JCAFVQRJLRJBCH-WCQYABFASA-N 0 3 237.343 2.368 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289578636 178804294 /nfs/dbraw/zinc/80/42/94/178804294.db2.gz BKGWWEWAHDADHL-NSHDSACASA-N 0 3 245.326 2.317 20 10 BECDHN CC1(C)CC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000290187429 187362269 /nfs/dbraw/zinc/36/22/69/187362269.db2.gz SOIYAPOYAJDYGB-CYBMUJFWSA-N 0 3 249.310 2.399 20 10 BECDHN COc1ccc(CNC[C@H](C)OC)cc1C ZINC000223905371 187319988 /nfs/dbraw/zinc/31/99/88/187319988.db2.gz GXHPVKYTNZSSLE-NSHDSACASA-N 0 3 223.316 2.128 20 10 BECDHN Cc1cccc(C[N@@H+](C)CC(C)(C)CO)c1[O-] ZINC000294664694 179063102 /nfs/dbraw/zinc/06/31/02/179063102.db2.gz ALLAWHLNVJNXHC-UHFFFAOYSA-N 0 3 237.343 2.151 20 10 BECDHN Cc1cccc(C[N@H+](C)CC(C)(C)CO)c1[O-] ZINC000294664694 179063104 /nfs/dbraw/zinc/06/31/04/179063104.db2.gz ALLAWHLNVJNXHC-UHFFFAOYSA-N 0 3 237.343 2.151 20 10 BECDHN CC[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccc1[O-] ZINC000156412818 346368674 /nfs/dbraw/zinc/36/86/74/346368674.db2.gz GYXCWGGBYWJDHZ-OUCADQQQSA-N 0 3 247.338 2.370 20 10 BECDHN CC1(C)C[C@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000160466113 346453859 /nfs/dbraw/zinc/45/38/59/346453859.db2.gz VZFCQOOICNMUKG-GFCCVEGCSA-N 0 3 235.327 2.439 20 10 BECDHN Cc1cccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1[O-] ZINC000294026756 179094311 /nfs/dbraw/zinc/09/43/11/179094311.db2.gz NWMQCKDFPXLBOM-SWLSCSKDSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c1[O-] ZINC000190303568 179098053 /nfs/dbraw/zinc/09/80/53/179098053.db2.gz OXYIWWGLQNWCHJ-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+][C@H](C)CC(C)(C)O)c1[O-] ZINC000295015397 179099675 /nfs/dbraw/zinc/09/96/75/179099675.db2.gz JWRWADUIFODDIK-LLVKDONJSA-N 0 3 237.343 2.340 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCO[C@@H](C)C2)c1[O-] ZINC000224918530 179100965 /nfs/dbraw/zinc/10/09/65/179100965.db2.gz CRIHQLAQYLBQMF-AAEUAGOBSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCCC[C@@H]2O)c1[O-] ZINC000124815246 179101161 /nfs/dbraw/zinc/10/11/61/179101161.db2.gz QHQJOAWDEDELMV-STQMWFEESA-N 0 3 235.327 2.094 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCO[C@H](C)C2)c1[O-] ZINC000224918609 179101786 /nfs/dbraw/zinc/10/17/86/179101786.db2.gz CRIHQLAQYLBQMF-YPMHNXCESA-N 0 3 235.327 2.358 20 10 BECDHN Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000020352507 180383622 /nfs/dbraw/zinc/38/36/22/180383622.db2.gz HMQPPWCTGDQXPU-JTQLQIEISA-N 0 3 245.326 2.285 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](O)C(C)C)c1ccccc1[O-] ZINC000119223281 358461808 /nfs/dbraw/zinc/46/18/08/358461808.db2.gz RXJIUQOPTAXGAI-OCCSQVGLSA-N 0 3 237.343 2.450 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)O)c([O-])c1 ZINC000083461339 187624685 /nfs/dbraw/zinc/62/46/85/187624685.db2.gz DZIRWBJSNZSHOE-SNVBAGLBSA-N 0 3 223.316 2.122 20 10 BECDHN CC1(C)CCC[C@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000293064968 352338430 /nfs/dbraw/zinc/33/84/30/352338430.db2.gz UZADPBQCXKVGDJ-HNNXBMFYSA-N 0 3 249.354 2.423 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000186535426 188000438 /nfs/dbraw/zinc/00/04/38/188000438.db2.gz KVSRYFZRJMHCRS-OOPCZODUSA-N 0 3 235.327 2.117 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCOCC(F)F)c1 ZINC000190898934 188003041 /nfs/dbraw/zinc/00/30/41/188003041.db2.gz DTJYOIURTFDOFD-UHFFFAOYSA-N 0 3 245.269 2.072 20 10 BECDHN Cc1cc(Cl)cc(C[NH2+]CCCCO)c1[O-] ZINC000194530691 188259124 /nfs/dbraw/zinc/25/91/24/188259124.db2.gz MNCCDYPEGZPEBS-UHFFFAOYSA-N 0 3 243.734 2.216 20 10 BECDHN CC(C)[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168777748 188337852 /nfs/dbraw/zinc/33/78/52/188337852.db2.gz NJBVQGHAKUFJKF-NOZJJQNGSA-N 0 3 241.306 2.199 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000185810881 188347385 /nfs/dbraw/zinc/34/73/85/188347385.db2.gz YETKJNUKBGKDPE-NNTXTVRGSA-N 0 3 249.354 2.426 20 10 BECDHN CC[C@@H]([NH2+]Cc1cc(C)ccc1[O-])C(C)(C)O ZINC000292969185 359372664 /nfs/dbraw/zinc/37/26/64/359372664.db2.gz KCJAARDDBBPWSL-CYBMUJFWSA-N 0 3 237.343 2.340 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c1 ZINC000292861310 200854216 /nfs/dbraw/zinc/85/42/16/200854216.db2.gz ASLJEGUKPJRDMV-DOMZBBRYSA-N 0 3 249.354 2.341 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+]CC1CCCC1)OCO2 ZINC000042879695 183262088 /nfs/dbraw/zinc/26/20/88/183262088.db2.gz DTTMPPLAODLTHH-UHFFFAOYSA-N 0 3 249.310 2.401 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCC[C@@H]1O)CC2 ZINC000296358479 183298971 /nfs/dbraw/zinc/29/89/71/183298971.db2.gz HYEGSPCEBXXGCB-XQQFMLRXSA-N 0 3 247.338 2.273 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC=CO1 ZINC000162937184 183303219 /nfs/dbraw/zinc/30/32/19/183303219.db2.gz XUNPUUQECFZRCY-GFCCVEGCSA-N 0 3 219.284 2.175 20 10 BECDHN CCCOc1ccc(C[NH2+]C2CC2)c([O-])c1 ZINC000050273164 169318572 /nfs/dbraw/zinc/31/85/72/169318572.db2.gz UAWHGRNITCVGOY-UHFFFAOYSA-N 0 3 221.300 2.433 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C)c([O-])c1 ZINC000038088168 384067622 /nfs/dbraw/zinc/06/76/22/384067622.db2.gz VGCJTBIUIDVLQF-NEPJUHHUSA-N 0 3 236.359 2.301 20 10 BECDHN CC[C@@H](COC)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000070625204 384125298 /nfs/dbraw/zinc/12/52/98/384125298.db2.gz IZUPUACWVXKAJS-QWRGUYRKSA-N 0 3 223.316 2.468 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCCOC1)c1ccccc1[O-] ZINC000071011598 384147924 /nfs/dbraw/zinc/14/79/24/384147924.db2.gz WPKVOXZYNHAIAX-WDEREUQCSA-N 0 3 221.300 2.222 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)C(C)C)c([O-])c1 ZINC000092393665 384176612 /nfs/dbraw/zinc/17/66/12/384176612.db2.gz XBYBEHYHDZTCFY-DGCLKSJQSA-N 0 3 237.343 2.368 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CCC([C@H](C)O)CC2)c1 ZINC000092970658 384203215 /nfs/dbraw/zinc/20/32/15/384203215.db2.gz QDYYOFHGKRHBDI-LBPRGKRZSA-N 0 3 249.354 2.293 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000094616772 384306452 /nfs/dbraw/zinc/30/64/52/384306452.db2.gz HKWNJFYQTKCCNE-MWLCHTKSSA-N 0 3 239.290 2.361 20 10 BECDHN C[C@H](CCN(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297598550 384307417 /nfs/dbraw/zinc/30/74/17/384307417.db2.gz HXJBMZKTLNPFDQ-DGCLKSJQSA-N 0 3 248.370 2.309 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCCOC1)c1cc(F)ccc1[O-] ZINC000094618210 384307636 /nfs/dbraw/zinc/30/76/36/384307636.db2.gz JCDJZNORIKRTPK-KOLCDFICSA-N 0 3 239.290 2.361 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])CC1(O)CCCC1 ZINC000121141921 384400308 /nfs/dbraw/zinc/40/03/08/384400308.db2.gz HBCHKTWJUIPUMF-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])CC1(O)CCCC1 ZINC000121141921 384400314 /nfs/dbraw/zinc/40/03/14/384400314.db2.gz HBCHKTWJUIPUMF-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCCO1 ZINC000096477920 384461808 /nfs/dbraw/zinc/46/18/08/384461808.db2.gz IFDPVIVHQXUIAG-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCCO1 ZINC000096477920 384461810 /nfs/dbraw/zinc/46/18/10/384461810.db2.gz IFDPVIVHQXUIAG-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1[O-] ZINC000019963524 384563023 /nfs/dbraw/zinc/56/30/23/384563023.db2.gz YZURDEZFFUJSAQ-MNOVXSKESA-N 0 3 221.300 2.222 20 10 BECDHN C[C@H]([NH2+]CC(C)(C)N(C)C)c1ccccc1[O-] ZINC000020125766 384581669 /nfs/dbraw/zinc/58/16/69/384581669.db2.gz KACUXTOKFYCVES-NSHDSACASA-N 0 3 236.359 2.383 20 10 BECDHN CCC(O)(CC)C[NH2+]Cc1cccc(C)c1[O-] ZINC000124748270 384672897 /nfs/dbraw/zinc/67/28/97/384672897.db2.gz PVLRZKHOYSJYMI-UHFFFAOYSA-N 0 3 237.343 2.341 20 10 BECDHN CCC(O)(CC)C[NH2+]Cc1ccccc1[O-] ZINC000082367488 384675105 /nfs/dbraw/zinc/67/51/05/384675105.db2.gz PKLIKLKAFJVBLN-UHFFFAOYSA-N 0 3 223.316 2.033 20 10 BECDHN CC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000083461964 384773882 /nfs/dbraw/zinc/77/38/82/384773882.db2.gz KQVVSISHPJHXBP-MFKMUULPSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1[O-] ZINC000082993796 384734553 /nfs/dbraw/zinc/73/45/53/384734553.db2.gz UIRHOQXSLNICJG-CMPLNLGQSA-N 0 3 223.316 2.204 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC[C@H](C)O)c([O-])c1 ZINC000082993387 384734867 /nfs/dbraw/zinc/73/48/67/384734867.db2.gz VQYXCZZHHVCBJF-QWRGUYRKSA-N 0 3 223.316 2.122 20 10 BECDHN CC(C)[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000163979740 384886230 /nfs/dbraw/zinc/88/62/30/384886230.db2.gz CJZMVVDCONGZIY-MFKMUULPSA-N 0 3 223.316 2.060 20 10 BECDHN Cc1ccc(O)c(CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000126929349 384844314 /nfs/dbraw/zinc/84/43/14/384844314.db2.gz VBLVBNZSPSJVAL-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000186490137 384847713 /nfs/dbraw/zinc/84/77/13/384847713.db2.gz MBTVDJNKLIJPRL-LXYZTQFVSA-N 0 3 235.327 2.370 20 10 BECDHN C[C@H](CCO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000085125559 384918565 /nfs/dbraw/zinc/91/85/65/384918565.db2.gz YKGXBPIJHKKXTB-MNOVXSKESA-N 0 3 223.316 2.061 20 10 BECDHN C[C@H]([NH2+]CC1(C)COC1)c1ccccc1[O-] ZINC000087197192 385081286 /nfs/dbraw/zinc/08/12/86/385081286.db2.gz BENQWQMNUVDKLB-JTQLQIEISA-N 0 3 221.300 2.079 20 10 BECDHN Cc1ccc(O)c(CN2CCO[C@H](C3CC3)C2)c1 ZINC000368411168 385318291 /nfs/dbraw/zinc/31/82/91/385318291.db2.gz NBJNQJBPVNXGCL-HNNXBMFYSA-N 0 3 247.338 2.311 20 10 BECDHN CC[C@@]1(C)CN(Cc2ccccc2O)CCO1 ZINC000191148571 385286112 /nfs/dbraw/zinc/28/61/12/385286112.db2.gz JSBLLSAPXHMZCZ-AWEZNQCLSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000191209636 385292331 /nfs/dbraw/zinc/29/23/31/385292331.db2.gz BZKFSIZQFBJAFO-QWRGUYRKSA-N 0 3 223.316 2.386 20 10 BECDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000289722653 385301481 /nfs/dbraw/zinc/30/14/81/385301481.db2.gz GEQOKRDZSQMVOY-GHMZBOCLSA-N 0 3 223.316 2.214 20 10 BECDHN CC[C@H](C[NH2+]Cc1cc(C)ccc1[O-])OC ZINC000289746750 385358308 /nfs/dbraw/zinc/35/83/08/385358308.db2.gz HXFHJRRXYYYLBQ-GFCCVEGCSA-N 0 3 223.316 2.215 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)CN(C)C)c1cc(F)ccc1[O-] ZINC000168712749 385383837 /nfs/dbraw/zinc/38/38/37/385383837.db2.gz HSMKYAOGIJQGGH-VHSXEESVSA-N 0 3 240.322 2.132 20 10 BECDHN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168777656 385387287 /nfs/dbraw/zinc/38/72/87/385387287.db2.gz NJBVQGHAKUFJKF-ZANVPECISA-N 0 3 241.306 2.199 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCc2cn[nH]c2)c([O-])c1 ZINC000289768107 385394852 /nfs/dbraw/zinc/39/48/52/385394852.db2.gz LZZFVLMPLFSDMH-NSHDSACASA-N 0 3 245.326 2.317 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CC(C)(C)O)c1 ZINC000295138213 385459039 /nfs/dbraw/zinc/45/90/39/385459039.db2.gz ZDVFIHSUOVGFFD-LLVKDONJSA-N 0 3 237.343 2.340 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])[C@@H](C)O1 ZINC000295264093 385513226 /nfs/dbraw/zinc/51/32/26/385513226.db2.gz VGCOJFYMPBDRBU-FOGDFJRCSA-N 0 3 221.300 2.048 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361050127 385526313 /nfs/dbraw/zinc/52/63/13/385526313.db2.gz FUQBVQJKWDANNP-TZMCWYRMSA-N 0 3 247.338 2.251 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000361050127 385526316 /nfs/dbraw/zinc/52/63/16/385526316.db2.gz FUQBVQJKWDANNP-TZMCWYRMSA-N 0 3 247.338 2.251 20 10 BECDHN C[C@@H](O)C[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183524896 385768068 /nfs/dbraw/zinc/76/80/68/385768068.db2.gz HZYIJRFAMFYFRF-TUAOUCFPSA-N 0 3 237.343 2.450 20 10 BECDHN CCC1(O)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271249908 385811075 /nfs/dbraw/zinc/81/10/75/385811075.db2.gz DPFCKBGXGRXUFO-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000189120119 385937841 /nfs/dbraw/zinc/93/78/41/385937841.db2.gz GEQOKRDZSQMVOY-WDEREUQCSA-N 0 3 223.316 2.214 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC[C@H](C)O)c([O-])c1C ZINC000273581501 386014658 /nfs/dbraw/zinc/01/46/58/386014658.db2.gz MSEGSLJJLZLUOP-JQWIXIFHSA-N 0 3 237.343 2.431 20 10 BECDHN CSC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000125000200 386205055 /nfs/dbraw/zinc/20/50/55/386205055.db2.gz LROAYTKYCCXSAD-VIFPVBQESA-N 0 3 211.330 2.233 20 10 BECDHN CO[C@@H](C)[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297155597 386228566 /nfs/dbraw/zinc/22/85/66/386228566.db2.gz COGUNQKTMZGUKH-SCVCMEIPSA-N 0 3 235.327 2.393 20 10 BECDHN COCC[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226589138 386340682 /nfs/dbraw/zinc/34/06/82/386340682.db2.gz FSNGYZGOLKJRGP-VIFPVBQESA-N 0 3 227.279 2.046 20 10 BECDHN CC[C@H](CCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226616650 386345191 /nfs/dbraw/zinc/34/51/91/386345191.db2.gz XITLFYSAVKCSEN-SNVBAGLBSA-N 0 3 241.306 2.030 20 10 BECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000226611997 386345695 /nfs/dbraw/zinc/34/56/95/386345695.db2.gz SXSBTLLWVZXFJY-NXEZZACHSA-N 0 3 239.290 2.046 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCOCC2CC2)c1 ZINC000226648245 386354083 /nfs/dbraw/zinc/35/40/83/386354083.db2.gz FQZJFBJXYWWCIO-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN CCC[C@]1(CO)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000290225301 386409402 /nfs/dbraw/zinc/40/94/02/386409402.db2.gz SGAVWYIIDCQSQZ-HNNXBMFYSA-N 0 3 249.354 2.377 20 10 BECDHN CCC[C@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000290225301 386409405 /nfs/dbraw/zinc/40/94/05/386409405.db2.gz SGAVWYIIDCQSQZ-HNNXBMFYSA-N 0 3 249.354 2.377 20 10 BECDHN C[C@H](CO)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228799486 386618534 /nfs/dbraw/zinc/61/85/34/386618534.db2.gz CHDNFGLDWVACGY-RYUDHWBXSA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000279648147 386713338 /nfs/dbraw/zinc/71/33/38/386713338.db2.gz KDMFIIWVDKRGOM-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@](C)(O)CC2)c1 ZINC000279648147 386713346 /nfs/dbraw/zinc/71/33/46/386713346.db2.gz KDMFIIWVDKRGOM-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)CC2CCC2)c1 ZINC000279950682 386759093 /nfs/dbraw/zinc/75/90/93/386759093.db2.gz ZNCOSKLWRROPME-CQSZACIVSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CO)c([O-])c1 ZINC000284256328 387169357 /nfs/dbraw/zinc/16/93/57/387169357.db2.gz VZAXDJXLTBLKGA-GHMZBOCLSA-N 0 3 223.316 2.040 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1 ZINC000292861327 387216456 /nfs/dbraw/zinc/21/64/56/387216456.db2.gz ASLJEGUKPJRDMV-WFASDCNBSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC000374333178 387443757 /nfs/dbraw/zinc/44/37/57/387443757.db2.gz RZXYJDSAFMWKKQ-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1[O-] ZINC000119223357 387553118 /nfs/dbraw/zinc/55/31/18/387553118.db2.gz RXJIUQOPTAXGAI-GXTWGEPZSA-N 0 3 237.343 2.450 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](O)C(C)C)c1ccccc1[O-] ZINC000119223480 387553819 /nfs/dbraw/zinc/55/38/19/387553819.db2.gz RXJIUQOPTAXGAI-TZMCWYRMSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000527803643 387726251 /nfs/dbraw/zinc/72/62/51/387726251.db2.gz HULHIWYVYBFMTK-FBKDDSFISA-N 0 3 235.327 2.294 20 10 BECDHN CC[C@H](COC)NCc1ccc2c(c1)CCO2 ZINC000079737341 387956697 /nfs/dbraw/zinc/95/66/97/387956697.db2.gz SOEAVOWBQUOYCF-CYBMUJFWSA-N 0 3 235.327 2.136 20 10 BECDHN C[C@@H](CCCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297616467 388431046 /nfs/dbraw/zinc/43/10/46/388431046.db2.gz ISPPEVPKKFRBNE-JQWIXIFHSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H](CCCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297616470 388431049 /nfs/dbraw/zinc/43/10/49/388431049.db2.gz ISPPEVPKKFRBNE-PWSUYJOCSA-N 0 3 235.327 2.130 20 10 BECDHN CC1(C)C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586087 388723321 /nfs/dbraw/zinc/72/33/21/388723321.db2.gz YAVDDUGREBKYOL-LLVKDONJSA-N 0 3 209.264 2.419 20 10 BECDHN CO[C@H](C[NH2+]Cc1cccc(C)c1[O-])C(C)C ZINC000271829521 389024905 /nfs/dbraw/zinc/02/49/05/389024905.db2.gz OKQVTIWAGXLUQD-CYBMUJFWSA-N 0 3 237.343 2.461 20 10 BECDHN C[C@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000272852007 389036118 /nfs/dbraw/zinc/03/61/18/389036118.db2.gz LFZGVSFFMAODJK-GWCFXTLKSA-N 0 3 237.343 2.450 20 10 BECDHN Oc1ccccc1CN1CCOCC12CCC2 ZINC000179577341 134321955 /nfs/dbraw/zinc/32/19/55/134321955.db2.gz UMKUVTQOXDCUGN-UHFFFAOYSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000179583400 134322063 /nfs/dbraw/zinc/32/20/63/134322063.db2.gz PWSMUMVJBPUESG-AWEZNQCLSA-N 0 3 233.311 2.005 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000179583400 134322064 /nfs/dbraw/zinc/32/20/64/134322064.db2.gz PWSMUMVJBPUESG-AWEZNQCLSA-N 0 3 233.311 2.005 20 10 BECDHN C[C@H](CO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185113773 397871844 /nfs/dbraw/zinc/87/18/44/397871844.db2.gz TUFWWGHRZGAJFF-MNOVXSKESA-N 0 3 249.354 2.302 20 10 BECDHN C[C@]1(C[NH2+]Cc2ccccc2[O-])CCCO1 ZINC000087233585 1173021328 /nfs/dbraw/zinc/02/13/28/1173021328.db2.gz UTMBCDNMQHXBET-CYBMUJFWSA-N 0 3 221.300 2.051 20 10 BECDHN CC(C)OCC[N@H+](C)Cc1ccccc1[O-] ZINC000109772872 167227254 /nfs/dbraw/zinc/22/72/54/167227254.db2.gz KCUOSYHUKKSIHX-UHFFFAOYSA-N 0 3 223.316 2.249 20 10 BECDHN CC(C)OCC[N@@H+](C)Cc1ccccc1[O-] ZINC000109772872 167227259 /nfs/dbraw/zinc/22/72/59/167227259.db2.gz KCUOSYHUKKSIHX-UHFFFAOYSA-N 0 3 223.316 2.249 20 10 BECDHN CC(C)OCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000230691411 167240956 /nfs/dbraw/zinc/24/09/56/167240956.db2.gz JVJUYSVWMJDALY-UHFFFAOYSA-N 0 3 227.279 2.046 20 10 BECDHN CCC(C)(C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879026 168299701 /nfs/dbraw/zinc/29/97/01/168299701.db2.gz VWQJYNPWJSQCDF-UHFFFAOYSA-N 0 3 237.299 2.399 20 10 BECDHN CCOC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000166948657 170313555 /nfs/dbraw/zinc/31/35/55/170313555.db2.gz COLFRPNWOHNZBI-UHFFFAOYSA-N 0 3 223.316 2.297 20 10 BECDHN CCOCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000070954893 170380325 /nfs/dbraw/zinc/38/03/25/170380325.db2.gz SFVBNTSYSHUCKR-UHFFFAOYSA-N 0 3 223.316 2.217 20 10 BECDHN CCOc1ccc([O-])c(C[NH2+]C2CCC2)c1 ZINC000264365992 170555293 /nfs/dbraw/zinc/55/52/93/170555293.db2.gz BUWWABCMUGKJQP-UHFFFAOYSA-N 0 3 221.300 2.433 20 10 BECDHN CC[C@@H](CO)[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000295209185 170834321 /nfs/dbraw/zinc/83/43/21/170834321.db2.gz ZUKDENBNNMUVEL-ZDUSSCGKSA-N 0 3 237.343 2.212 20 10 BECDHN CC[C@@H](CO)[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000295209185 170834323 /nfs/dbraw/zinc/83/43/23/170834323.db2.gz ZUKDENBNNMUVEL-ZDUSSCGKSA-N 0 3 237.343 2.212 20 10 BECDHN CC[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000119586262 171011020 /nfs/dbraw/zinc/01/10/20/171011020.db2.gz FPMZWAKPYHWDDK-SNVBAGLBSA-N 0 3 249.310 2.353 20 10 BECDHN CC[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000119586262 171011022 /nfs/dbraw/zinc/01/10/22/171011022.db2.gz FPMZWAKPYHWDDK-SNVBAGLBSA-N 0 3 249.310 2.353 20 10 BECDHN CC[C@@H]1CC[N@@H+]1Cc1cc(OC)ccc1[O-] ZINC000292897624 171025734 /nfs/dbraw/zinc/02/57/34/171025734.db2.gz ZOTKTVXSKYQIJV-LLVKDONJSA-N 0 3 221.300 2.385 20 10 BECDHN CC[C@@H]1CC[N@H+]1Cc1cc(OC)ccc1[O-] ZINC000292897624 171025736 /nfs/dbraw/zinc/02/57/36/171025736.db2.gz ZOTKTVXSKYQIJV-LLVKDONJSA-N 0 3 221.300 2.385 20 10 BECDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000191958119 171213491 /nfs/dbraw/zinc/21/34/91/171213491.db2.gz XJFNUMNMVWSRDV-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@]1(CO)CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000191958119 171213494 /nfs/dbraw/zinc/21/34/94/171213494.db2.gz XJFNUMNMVWSRDV-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN COCCC1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000151197622 174156554 /nfs/dbraw/zinc/15/65/54/174156554.db2.gz ODTAWQLNZMMYSH-UHFFFAOYSA-N 0 3 235.327 2.299 20 10 BECDHN COCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584954 174200158 /nfs/dbraw/zinc/20/01/58/174200158.db2.gz UPJZZBHJGZJAMD-UHFFFAOYSA-N 0 3 227.279 2.048 20 10 BECDHN COCCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000162817035 174218552 /nfs/dbraw/zinc/21/85/52/174218552.db2.gz PGRZQXAFLUSNDS-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COCCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000162817035 174218554 /nfs/dbraw/zinc/21/85/54/174218554.db2.gz PGRZQXAFLUSNDS-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2C ZINC000019881679 174338983 /nfs/dbraw/zinc/33/89/83/174338983.db2.gz HKEFEGHTOQIHHR-WDEREUQCSA-N 0 3 235.327 2.485 20 10 BECDHN CO[C@H](C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000191209593 174836316 /nfs/dbraw/zinc/83/63/16/174836316.db2.gz BZKFSIZQFBJAFO-GHMZBOCLSA-N 0 3 223.316 2.386 20 10 BECDHN COc1cccc(C[N@H+](C)C(C)C)c1[O-] ZINC000132486655 175253943 /nfs/dbraw/zinc/25/39/43/175253943.db2.gz BGJUXOYHACNGAN-UHFFFAOYSA-N 0 3 209.289 2.241 20 10 BECDHN COc1cccc(C[N@@H+](C)C(C)C)c1[O-] ZINC000132486655 175253945 /nfs/dbraw/zinc/25/39/45/175253945.db2.gz BGJUXOYHACNGAN-UHFFFAOYSA-N 0 3 209.289 2.241 20 10 BECDHN COc1cccc(C[NH2+]C[C@@H]2CCC=CO2)c1[O-] ZINC000275861969 175264249 /nfs/dbraw/zinc/26/42/49/175264249.db2.gz UEFOWCTXALPHMW-LBPRGKRZSA-N 0 3 249.310 2.183 20 10 BECDHN COc1cccc(C[NH2+]C[C@@H]2C[C@H]2C)c1[O-] ZINC000136401812 175265024 /nfs/dbraw/zinc/26/50/24/175265024.db2.gz ZPLDTFQPITUYDT-KOLCDFICSA-N 0 3 221.300 2.146 20 10 BECDHN C[C@@H]1CCC[C@@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000293011516 176135097 /nfs/dbraw/zinc/13/50/97/176135097.db2.gz OAKYCFCQFYEYPT-BXUZGUMPSA-N 0 3 235.327 2.033 20 10 BECDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CCS1 ZINC000180069789 176301097 /nfs/dbraw/zinc/30/10/97/176301097.db2.gz QKYJWCHIZDCMAW-SECBINFHSA-N 0 3 241.331 2.469 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CCS1 ZINC000180069789 176301099 /nfs/dbraw/zinc/30/10/99/176301099.db2.gz QKYJWCHIZDCMAW-SECBINFHSA-N 0 3 241.331 2.469 20 10 BECDHN C[C@@H]1CN(Cc2ccccc2O)[C@H](C)CO1 ZINC000132611397 176307790 /nfs/dbraw/zinc/30/77/90/176307790.db2.gz YBIJZSUQEIAVTR-GHMZBOCLSA-N 0 3 221.300 2.001 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000226617570 176377241 /nfs/dbraw/zinc/37/72/41/176377241.db2.gz STTYLWNMTUXDOR-SKDRFNHKSA-N 0 3 239.290 2.188 20 10 BECDHN C[C@H]1CCC[C@@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000293011522 177128373 /nfs/dbraw/zinc/12/83/73/177128373.db2.gz OAKYCFCQFYEYPT-SMDDNHRTSA-N 0 3 235.327 2.033 20 10 BECDHN C[C@H]1COCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000376582055 177287856 /nfs/dbraw/zinc/28/78/56/177287856.db2.gz RIKHKNSCLCMDQM-CYBMUJFWSA-N 0 3 248.370 2.221 20 10 BECDHN CC[NH+](CC)Cc1ccc(OC)c(OC)c1[O-] ZINC000891436968 582684775 /nfs/dbraw/zinc/68/47/75/582684775.db2.gz SFEJUTXXTIJJQD-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN C[NH2+]C[C@@H](C)NCc1c([O-])cc(C)cc1Cl ZINC000853248724 588728741 /nfs/dbraw/zinc/72/87/41/588728741.db2.gz JFOXDZZJDLWZFH-SECBINFHSA-N 0 3 242.750 2.052 20 10 BECDHN CCC[C@@H](C)[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000846014855 582642594 /nfs/dbraw/zinc/64/25/94/582642594.db2.gz AMHXGOAQDQGPOE-DGCLKSJQSA-N 0 3 237.343 2.279 20 10 BECDHN C[N@H+](CC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000783535033 582959159 /nfs/dbraw/zinc/95/91/59/582959159.db2.gz JWFSGRHAMBUMGU-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN C[N@@H+](CC[C@H]1CCOC1)Cc1ccccc1[O-] ZINC000783535033 582959162 /nfs/dbraw/zinc/95/91/62/582959162.db2.gz JWFSGRHAMBUMGU-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](C)O2)c([O-])c1 ZINC000877578860 583336527 /nfs/dbraw/zinc/33/65/27/583336527.db2.gz NZDRQTGJHUZCCL-YPMHNXCESA-N 0 3 235.327 2.358 20 10 BECDHN C/C=C\C[C@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000894481332 583470417 /nfs/dbraw/zinc/47/04/17/583470417.db2.gz WRLLSJMTPHVVPD-VSQXVHSFSA-N 0 3 235.327 2.117 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CF)C1 ZINC000895572488 583691938 /nfs/dbraw/zinc/69/19/38/583691938.db2.gz FCPLLSBZDHHCPZ-JTQLQIEISA-N 0 3 239.290 2.192 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CF)C1 ZINC000895572488 583691939 /nfs/dbraw/zinc/69/19/39/583691939.db2.gz FCPLLSBZDHHCPZ-JTQLQIEISA-N 0 3 239.290 2.192 20 10 BECDHN C/C=C/C[NH2+]Cc1ccc(OC)c(OC)c1[O-] ZINC000895629907 583698078 /nfs/dbraw/zinc/69/80/78/583698078.db2.gz CAWSPDALNLGIBQ-SNAWJCMRSA-N 0 3 237.299 2.075 20 10 BECDHN CCO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000897061839 583875896 /nfs/dbraw/zinc/87/58/96/583875896.db2.gz NBGWDMZMNKHSBU-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000897061839 583875897 /nfs/dbraw/zinc/87/58/97/583875897.db2.gz NBGWDMZMNKHSBU-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@H]1C[C@H]([NH2+]Cc2cc(C)c(C)cc2[O-])C1 ZINC000858322386 588945495 /nfs/dbraw/zinc/94/54/95/588945495.db2.gz VLCRYFBTZRTKNK-JOCQHMNTSA-N 0 3 235.327 2.276 20 10 BECDHN COc1ccc(O)c(CNC/C=C\Cl)c1 ZINC000898433560 584135397 /nfs/dbraw/zinc/13/53/97/584135397.db2.gz OANGIVJENXQMPY-DJWKRKHSSA-N 0 3 227.691 2.243 20 10 BECDHN COC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000019904572 584223634 /nfs/dbraw/zinc/22/36/34/584223634.db2.gz RCIMZZPCEAFRNX-NXEZZACHSA-N 0 3 209.289 2.078 20 10 BECDHN CC[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[O-] ZINC000902470389 584616200 /nfs/dbraw/zinc/61/62/00/584616200.db2.gz WFUHNYVHZXCHPE-SCUASFONSA-N 0 3 246.354 2.326 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C)c([O-])c1C ZINC000903319422 584746410 /nfs/dbraw/zinc/74/64/10/584746410.db2.gz ZCGCARAENWWXJY-QWHCGFSZSA-N 0 3 248.370 2.364 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccc(C)cc1[O-] ZINC000903315913 584749683 /nfs/dbraw/zinc/74/96/83/584749683.db2.gz AFCAURFNBPZJND-GXTWGEPZSA-N 0 3 248.370 2.445 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CC(CCO)C1)CC2 ZINC000903334287 584751371 /nfs/dbraw/zinc/75/13/71/584751371.db2.gz ZPOGMWLUBMWEFC-GDKBPFBDSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H]([NH2+][C@@H]1COC[C@@H]1C1CC1)c1ccccc1[O-] ZINC000903438805 584762809 /nfs/dbraw/zinc/76/28/09/584762809.db2.gz XFVABJJJKDFEOU-ZLKJLUDKSA-N 0 3 247.338 2.468 20 10 BECDHN Cc1cnn(CC[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000732202651 584934828 /nfs/dbraw/zinc/93/48/28/584934828.db2.gz AOALRYOIGHASMV-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1cnn(CC[N@H+](C)Cc2ccccc2[O-])c1 ZINC000732202651 584934829 /nfs/dbraw/zinc/93/48/29/584934829.db2.gz AOALRYOIGHASMV-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN [O-]c1ccc(-c2ccccc2)cc1C[NH2+]CCO ZINC000734842115 584968862 /nfs/dbraw/zinc/96/88/62/584968862.db2.gz DDDOOAZYFRJDOD-UHFFFAOYSA-N 0 3 243.306 2.141 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCCC2(O)CCC2)c1 ZINC000817414389 584985915 /nfs/dbraw/zinc/98/59/15/584985915.db2.gz JCRMEUJNVSDKAX-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC2(C1)CCCOC2 ZINC000839139131 585094291 /nfs/dbraw/zinc/09/42/91/585094291.db2.gz UCTJGNHJNXUOKS-UHFFFAOYSA-N 0 3 233.311 2.005 20 10 BECDHN COc1cccc([O-])c1C[NH2+]Cc1ccn(C)c1 ZINC000748099446 585187076 /nfs/dbraw/zinc/18/70/76/585187076.db2.gz WNPNSZIIUNXYDK-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN COCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756342425 585318030 /nfs/dbraw/zinc/31/80/30/585318030.db2.gz JPNRSTNJVBJBOY-SCZZXKLOSA-N 0 3 239.290 2.316 20 10 BECDHN C[C@H]1C[C@H]([NH2+]CCCO)c2c1c(F)ccc2[O-] ZINC000756343770 585318034 /nfs/dbraw/zinc/31/80/34/585318034.db2.gz OAZRDTWGBBNGHZ-WPRPVWTQSA-N 0 3 239.290 2.052 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC2(CO)CC2)c([O-])c1C ZINC000756638528 585321931 /nfs/dbraw/zinc/32/19/31/585321931.db2.gz SJPUSVGGUOTBFE-LBPRGKRZSA-N 0 3 249.354 2.432 20 10 BECDHN C[C@@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756780827 585322882 /nfs/dbraw/zinc/32/28/82/585322882.db2.gz VQRTZBFJSCXPPW-XKSSXDPKSA-N 0 3 239.290 2.050 20 10 BECDHN CC[NH+](CC)Cc1c([O-])cccc1OC ZINC000768134903 585532455 /nfs/dbraw/zinc/53/24/55/585532455.db2.gz XLUOJIFOGVNTAK-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CCC(CCO)CC2)c1 ZINC000768240824 585534513 /nfs/dbraw/zinc/53/45/13/585534513.db2.gz HCFKLJORUUTNGW-UHFFFAOYSA-N 0 3 249.354 2.295 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000770508698 585575180 /nfs/dbraw/zinc/57/51/80/585575180.db2.gz FHFHNSCVSQJSCA-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000770508698 585575181 /nfs/dbraw/zinc/57/51/81/585575181.db2.gz FHFHNSCVSQJSCA-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN COCC[N@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775648004 585682442 /nfs/dbraw/zinc/68/24/42/585682442.db2.gz LVCPSICABDOMLX-UHFFFAOYSA-N 0 3 243.734 2.432 20 10 BECDHN COCC[N@@H+](C)Cc1cc(Cl)cc(C)c1[O-] ZINC000775648004 585682443 /nfs/dbraw/zinc/68/24/43/585682443.db2.gz LVCPSICABDOMLX-UHFFFAOYSA-N 0 3 243.734 2.432 20 10 BECDHN CCN1C[C@H](C)[N@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000779017783 585743717 /nfs/dbraw/zinc/74/37/17/585743717.db2.gz BPIOVKMFFPRZPP-STQMWFEESA-N 0 3 248.370 2.307 20 10 BECDHN CCN1C[C@H](C)[N@@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000779017783 585743718 /nfs/dbraw/zinc/74/37/18/585743718.db2.gz BPIOVKMFFPRZPP-STQMWFEESA-N 0 3 248.370 2.307 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@]2(C)CO)c1[O-] ZINC000789557761 585944208 /nfs/dbraw/zinc/94/42/08/585944208.db2.gz LTLFANYIDVPZAF-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@]2(C)CO)c1[O-] ZINC000789557761 585944209 /nfs/dbraw/zinc/94/42/09/585944209.db2.gz LTLFANYIDVPZAF-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN COc1cccc(C[NH+]2CC(C(C)C)C2)c1[O-] ZINC000793189392 586013670 /nfs/dbraw/zinc/01/36/70/586013670.db2.gz NNCUHXSUWUGFAH-UHFFFAOYSA-N 0 3 235.327 2.489 20 10 BECDHN Cc1cccc(C[NH2+]Cc2ncccc2[O-])c1O ZINC000793257182 586015335 /nfs/dbraw/zinc/01/53/35/586015335.db2.gz RWEFBDYAYDMPDM-UHFFFAOYSA-N 0 3 244.294 2.091 20 10 BECDHN Oc1ccccc1CNCc1cccnc1F ZINC000793284739 586016026 /nfs/dbraw/zinc/01/60/26/586016026.db2.gz QJHYDVATMLTIEA-UHFFFAOYSA-N 0 3 232.258 2.216 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C2(C)C)cc1C ZINC000812779310 586583860 /nfs/dbraw/zinc/58/38/60/586583860.db2.gz LUZNQEQNZDFJRE-AWEZNQCLSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C2(C)C)cc1C ZINC000812779310 586583861 /nfs/dbraw/zinc/58/38/61/586583861.db2.gz LUZNQEQNZDFJRE-AWEZNQCLSA-N 0 3 249.354 2.354 20 10 BECDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC000816647257 586748578 /nfs/dbraw/zinc/74/85/78/586748578.db2.gz QEBWYIIJBDHMDV-BDAKNGLRSA-N 0 3 209.264 2.372 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC000816647257 586748579 /nfs/dbraw/zinc/74/85/79/586748579.db2.gz QEBWYIIJBDHMDV-BDAKNGLRSA-N 0 3 209.264 2.372 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H]1C ZINC000816649133 586751341 /nfs/dbraw/zinc/75/13/41/586751341.db2.gz URQBEHJEVSLERC-VHSXEESVSA-N 0 3 221.300 2.241 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H]1C ZINC000816649133 586751342 /nfs/dbraw/zinc/75/13/42/586751342.db2.gz URQBEHJEVSLERC-VHSXEESVSA-N 0 3 221.300 2.241 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1[O-] ZINC000817412736 586801995 /nfs/dbraw/zinc/80/19/95/586801995.db2.gz OQNWATWZPYIXPT-DGCLKSJQSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1[O-] ZINC000817412736 586801996 /nfs/dbraw/zinc/80/19/96/586801996.db2.gz OQNWATWZPYIXPT-DGCLKSJQSA-N 0 3 249.354 2.151 20 10 BECDHN CC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000817952856 586848597 /nfs/dbraw/zinc/84/85/97/586848597.db2.gz VNXDVQMYBBDVJJ-DGCLKSJQSA-N 0 3 234.343 2.185 20 10 BECDHN CC[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(C)cc1[O-] ZINC000817952848 586849305 /nfs/dbraw/zinc/84/93/05/586849305.db2.gz VHEKDXRTSCUKBJ-OCCSQVGLSA-N 0 3 248.370 2.493 20 10 BECDHN CC(C)C[C@H](CN)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817960181 586851382 /nfs/dbraw/zinc/85/13/82/586851382.db2.gz YACWCRCXHKCWKZ-CHWSQXEVSA-N 0 3 248.370 2.343 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H](CN)C2CC2)c([O-])c1 ZINC000817960657 586851612 /nfs/dbraw/zinc/85/16/12/586851612.db2.gz OZEVPCRAAHGJID-GXFFZTMASA-N 0 3 234.343 2.089 20 10 BECDHN CCC[NH2+]CCN[C@@H](C)c1ccc(F)cc1[O-] ZINC000817962776 586852440 /nfs/dbraw/zinc/85/24/40/586852440.db2.gz PGFWDVJPVIAYBX-JTQLQIEISA-N 0 3 240.322 2.182 20 10 BECDHN CCCNCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817962776 586852443 /nfs/dbraw/zinc/85/24/43/586852443.db2.gz PGFWDVJPVIAYBX-JTQLQIEISA-N 0 3 240.322 2.182 20 10 BECDHN C[C@H](CN)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000817961639 586853023 /nfs/dbraw/zinc/85/30/23/586853023.db2.gz BKVSRVGQBZVQES-RKDXNWHRSA-N 0 3 242.750 2.291 20 10 BECDHN CC[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccccc1[O-] ZINC000817968790 586856928 /nfs/dbraw/zinc/85/69/28/586856928.db2.gz MQYOMPQVVGRZBO-UBHSHLNASA-N 0 3 248.370 2.431 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CN)c([O-])c1 ZINC000817970298 586858240 /nfs/dbraw/zinc/85/82/40/586858240.db2.gz QWJNTTKAVPNQJC-WDEREUQCSA-N 0 3 222.332 2.007 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)N)c1ccc(C)cc1[O-] ZINC000817971654 586859150 /nfs/dbraw/zinc/85/91/50/586859150.db2.gz GAQGPGWQOAXZCJ-CMPLNLGQSA-N 0 3 222.332 2.089 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)N)c1ccc(C)cc1[O-] ZINC000817971656 586859471 /nfs/dbraw/zinc/85/94/71/586859471.db2.gz GAQGPGWQOAXZCJ-JQWIXIFHSA-N 0 3 222.332 2.089 20 10 BECDHN CN(C)c1ccc(/C=C/CN[C@@H]2CCOC2)cc1 ZINC000818237036 586881579 /nfs/dbraw/zinc/88/15/79/586881579.db2.gz XHUVAKBTMAMFTE-RDFMZFSFSA-N 0 3 246.354 2.144 20 10 BECDHN CC(C(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000818556222 586900292 /nfs/dbraw/zinc/90/02/92/586900292.db2.gz BOBHLIVQJCOGLK-LURJTMIESA-N 0 3 232.205 2.406 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCCC[C@H]1N)c1ccccc1[O-] ZINC000818615140 586906690 /nfs/dbraw/zinc/90/66/90/586906690.db2.gz MHOMREMXSHEBKF-RAIGVLPGSA-N 0 3 234.343 2.313 20 10 BECDHN CO[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000824815758 587288782 /nfs/dbraw/zinc/28/87/82/587288782.db2.gz YURFCAQSTNNFKR-FZMZJTMJSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000824815758 587288784 /nfs/dbraw/zinc/28/87/84/587288784.db2.gz YURFCAQSTNNFKR-FZMZJTMJSA-N 0 3 235.327 2.249 20 10 BECDHN CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000825284529 587313036 /nfs/dbraw/zinc/31/30/36/587313036.db2.gz OJEIZXGFEZCOBR-TZMCWYRMSA-N 0 3 235.327 2.439 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1[O-] ZINC000827365119 587378628 /nfs/dbraw/zinc/37/86/28/587378628.db2.gz KAJITAOHSMJPOD-QWHCGFSZSA-N 0 3 247.338 2.094 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827507253 587384615 /nfs/dbraw/zinc/38/46/15/587384615.db2.gz VXEWSUHMRGBBKK-GHMZBOCLSA-N 0 3 233.311 2.243 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827507253 587384616 /nfs/dbraw/zinc/38/46/16/587384616.db2.gz VXEWSUHMRGBBKK-GHMZBOCLSA-N 0 3 233.311 2.243 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1[O-] ZINC000827700828 587397437 /nfs/dbraw/zinc/39/74/37/587397437.db2.gz XVHNHIJEPBEHMI-SWLSCSKDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1[O-] ZINC000827700828 587397438 /nfs/dbraw/zinc/39/74/38/587397438.db2.gz XVHNHIJEPBEHMI-SWLSCSKDSA-N 0 3 249.354 2.151 20 10 BECDHN C[N@H+](CC1=CCSC1)Cc1ccccc1[O-] ZINC000827805340 587403272 /nfs/dbraw/zinc/40/32/72/587403272.db2.gz IVIKQHAAFJPCIE-UHFFFAOYSA-N 0 3 235.352 2.497 20 10 BECDHN C[N@@H+](CC1=CCSC1)Cc1ccccc1[O-] ZINC000827805340 587403273 /nfs/dbraw/zinc/40/32/73/587403273.db2.gz IVIKQHAAFJPCIE-UHFFFAOYSA-N 0 3 235.352 2.497 20 10 BECDHN CCC[N@H+](CC[C@H](C)O)Cc1ccccc1[O-] ZINC000827938033 587410947 /nfs/dbraw/zinc/41/09/47/587410947.db2.gz HXJJGSNNHBOEAA-LBPRGKRZSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[N@@H+](CC[C@H](C)O)Cc1ccccc1[O-] ZINC000827938033 587410949 /nfs/dbraw/zinc/41/09/49/587410949.db2.gz HXJJGSNNHBOEAA-LBPRGKRZSA-N 0 3 237.343 2.375 20 10 BECDHN COC[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000835034289 587779397 /nfs/dbraw/zinc/77/93/97/587779397.db2.gz SMSVZFOYIDQQQC-GFUIURDCSA-N 0 3 248.370 2.390 20 10 BECDHN CO[C@@H](C)CNC/C=C\c1ccc(N(C)C)cc1 ZINC000835049997 587779735 /nfs/dbraw/zinc/77/97/35/587779735.db2.gz LGDBHXVFWMKOND-SZZPACECSA-N 0 3 248.370 2.390 20 10 BECDHN CC(C)([NH3+])CNCc1c([O-])ccc(Cl)c1F ZINC000841031592 587936402 /nfs/dbraw/zinc/93/64/02/587936402.db2.gz XKACTUMJJFFZOH-UHFFFAOYSA-N 0 3 246.713 2.012 20 10 BECDHN CCCC[C@H](CN)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841030898 587936713 /nfs/dbraw/zinc/93/67/13/587936713.db2.gz UDTKSPYGNSLJQR-GFCCVEGCSA-N 0 3 240.322 2.138 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](CN)CC(C)C)c1[O-] ZINC000841038468 587937730 /nfs/dbraw/zinc/93/77/30/587937730.db2.gz JZGOYFKMUAPOAM-CYBMUJFWSA-N 0 3 236.359 2.164 20 10 BECDHN Cc1ccc(CNCCc2ccc(N)cc2)nc1 ZINC000841037050 587937783 /nfs/dbraw/zinc/93/77/83/587937783.db2.gz YBFRAKHHAAGTDX-UHFFFAOYSA-N 0 3 241.338 2.305 20 10 BECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@H](C)N)c1[O-] ZINC000841076926 587943607 /nfs/dbraw/zinc/94/36/07/587943607.db2.gz UANHOJHKKOXEIG-IUCAKERBSA-N 0 3 242.750 2.179 20 10 BECDHN Cc1cc(Cl)cc(CN(C)[C@H](C)C[NH3+])c1[O-] ZINC000843051083 588077199 /nfs/dbraw/zinc/07/71/99/588077199.db2.gz DZBPMDAEUQPJTJ-SECBINFHSA-N 0 3 242.750 2.133 20 10 BECDHN [O-]c1ccccc1CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000843127676 588084989 /nfs/dbraw/zinc/08/49/89/588084989.db2.gz FSAIUBUOOBWNQC-CQSZACIVSA-N 0 3 246.354 2.157 20 10 BECDHN [O-]c1ccccc1CN[C@H]1CC[NH2+]C12CCCC2 ZINC000843127675 588085247 /nfs/dbraw/zinc/08/52/47/588085247.db2.gz FSAIUBUOOBWNQC-AWEZNQCLSA-N 0 3 246.354 2.157 20 10 BECDHN CCC[C@H](C)[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000846014823 588253803 /nfs/dbraw/zinc/25/38/03/588253803.db2.gz AMHXGOAQDQGPOE-AAEUAGOBSA-N 0 3 237.343 2.279 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCC2(CO)CCC2)c1 ZINC000846102569 588256713 /nfs/dbraw/zinc/25/67/13/588256713.db2.gz ODJNHRRBDCXNLA-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113214 588257165 /nfs/dbraw/zinc/25/71/65/588257165.db2.gz WSJFFCNDXJMZHH-AOOOYVTPSA-N 0 3 225.238 2.089 20 10 BECDHN [O-]c1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000846113214 588257166 /nfs/dbraw/zinc/25/71/66/588257166.db2.gz WSJFFCNDXJMZHH-AOOOYVTPSA-N 0 3 225.238 2.089 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](CO)CCF)c1 ZINC000846208811 588259926 /nfs/dbraw/zinc/25/99/26/588259926.db2.gz LUKZLCPXWOOWNH-GHMZBOCLSA-N 0 3 241.306 2.072 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CO)CCF)c([O-])c1 ZINC000846209368 588260075 /nfs/dbraw/zinc/26/00/75/588260075.db2.gz QRXRFNPDEYNIRI-GHMZBOCLSA-N 0 3 241.306 2.072 20 10 BECDHN CCc1cccc(C[N@H+](C)CCCCO)c1[O-] ZINC000848906187 588418680 /nfs/dbraw/zinc/41/86/80/588418680.db2.gz QYPWUXKGIMUBOS-UHFFFAOYSA-N 0 3 237.343 2.159 20 10 BECDHN CCc1cccc(C[N@@H+](C)CCCCO)c1[O-] ZINC000848906187 588418681 /nfs/dbraw/zinc/41/86/81/588418681.db2.gz QYPWUXKGIMUBOS-UHFFFAOYSA-N 0 3 237.343 2.159 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000848906047 588418724 /nfs/dbraw/zinc/41/87/24/588418724.db2.gz QBTSSUSLQCPFMS-OAHLLOKOSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000848906047 588418725 /nfs/dbraw/zinc/41/87/25/588418725.db2.gz QBTSSUSLQCPFMS-OAHLLOKOSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000848902071 588418751 /nfs/dbraw/zinc/41/87/51/588418751.db2.gz JJWYVDBZCRCJIK-DGCLKSJQSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000848902071 588418753 /nfs/dbraw/zinc/41/87/53/588418753.db2.gz JJWYVDBZCRCJIK-DGCLKSJQSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1[O-] ZINC000848908204 588419307 /nfs/dbraw/zinc/41/93/07/588419307.db2.gz OWIUUTMKLUGQRX-ZDUSSCGKSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1[O-] ZINC000848908204 588419309 /nfs/dbraw/zinc/41/93/09/588419309.db2.gz OWIUUTMKLUGQRX-ZDUSSCGKSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000848906663 588419499 /nfs/dbraw/zinc/41/94/99/588419499.db2.gz XPZRJKIQQGQSCZ-RISCZKNCSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000848906663 588419501 /nfs/dbraw/zinc/41/95/01/588419501.db2.gz XPZRJKIQQGQSCZ-RISCZKNCSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(CN2CC(C)(COC)C2)c1O ZINC000848915849 588419999 /nfs/dbraw/zinc/41/99/99/588419999.db2.gz BJTQYOPGJOTGSH-UHFFFAOYSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@H]2COC)c1[O-] ZINC000848914447 588420121 /nfs/dbraw/zinc/42/01/21/588420121.db2.gz NABWLIQPTDLMMG-ZDUSSCGKSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@H]2COC)c1[O-] ZINC000848914447 588420123 /nfs/dbraw/zinc/42/01/23/588420123.db2.gz NABWLIQPTDLMMG-ZDUSSCGKSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1cccc(CN2CC[C@H]2COC)c1O ZINC000848914447 588420124 /nfs/dbraw/zinc/42/01/24/588420124.db2.gz NABWLIQPTDLMMG-ZDUSSCGKSA-N 0 3 235.327 2.175 20 10 BECDHN Oc1ccccc1CN1CC2(CC2(F)F)C1 ZINC000848922686 588420721 /nfs/dbraw/zinc/42/07/21/588420721.db2.gz XVTUXOCZLWPCAB-UHFFFAOYSA-N 0 3 225.238 2.233 20 10 BECDHN CCc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000848919420 588420758 /nfs/dbraw/zinc/42/07/58/588420758.db2.gz KPSUOLKBGCNWEC-MCIONIFRSA-N 0 3 247.338 2.364 20 10 BECDHN CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000850408766 588544485 /nfs/dbraw/zinc/54/44/85/588544485.db2.gz FAWQPGGLNMBKDL-KGLIPLIRSA-N 0 3 235.327 2.276 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c([O-])c1C ZINC000850579028 588561591 /nfs/dbraw/zinc/56/15/91/588561591.db2.gz QVXPPRGLMYCMOZ-IJLUTSLNSA-N 0 3 235.327 2.183 20 10 BECDHN CN(Cc1cccnc1)Cc1ccccc1O ZINC000109771119 588592497 /nfs/dbraw/zinc/59/24/97/588592497.db2.gz OKYNSCPTBWYSTA-UHFFFAOYSA-N 0 3 228.295 2.419 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@H]1C(F)(F)F ZINC000865754670 589461117 /nfs/dbraw/zinc/46/11/17/589461117.db2.gz ZIAQTHXXCZHWHL-RKDXNWHRSA-N 0 3 231.217 2.433 20 10 BECDHN CC(C)CC[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000205806749 589471487 /nfs/dbraw/zinc/47/14/87/589471487.db2.gz IEFKZWFPPAWCGS-CYBMUJFWSA-N 0 3 237.343 2.279 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)CO)c1 ZINC000122054879 589551746 /nfs/dbraw/zinc/55/17/46/589551746.db2.gz GNZJCMTUBURPAQ-LLVKDONJSA-N 0 3 237.343 2.370 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c([O-])c1C ZINC000872125644 589876212 /nfs/dbraw/zinc/87/62/12/589876212.db2.gz DQRSTXFVAHNYIC-JHJVBQTASA-N 0 3 249.354 2.431 20 10 BECDHN Cc1cccc(CN2CCOC(C)(C)C2)c1O ZINC000124549667 590049773 /nfs/dbraw/zinc/04/97/73/590049773.db2.gz WGJZIBCLKBHQQI-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)c(O)c1 ZINC000876512689 590206066 /nfs/dbraw/zinc/20/60/66/590206066.db2.gz VZRBXRGWUGJIBP-VXGBXAGGSA-N 0 3 235.327 2.310 20 10 BECDHN CC[C@@H]1CN(Cc2c(C)cccc2O)CCO1 ZINC000876560275 590215757 /nfs/dbraw/zinc/21/57/57/590215757.db2.gz JOFXVWUQSXESLF-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCCO1 ZINC000876566871 590217081 /nfs/dbraw/zinc/21/70/81/590217081.db2.gz VUHUGFFZWFHSIC-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCCO1 ZINC000876566871 590217083 /nfs/dbraw/zinc/21/70/83/590217083.db2.gz VUHUGFFZWFHSIC-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+](C)C[C@H]2CCCO2)c([O-])c1 ZINC000876566838 590217224 /nfs/dbraw/zinc/21/72/24/590217224.db2.gz UXXSZVPXWAKPLG-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCCO2)c([O-])c1 ZINC000876566838 590217225 /nfs/dbraw/zinc/21/72/25/590217225.db2.gz UXXSZVPXWAKPLG-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+](C[C@H](C)O)C(C)C)c([O-])c1 ZINC000876697504 590231600 /nfs/dbraw/zinc/23/16/00/590231600.db2.gz USFVQBYCMUBLIO-LBPRGKRZSA-N 0 3 237.343 2.292 20 10 BECDHN Cc1ccc(C[N@H+](C[C@H](C)O)C(C)C)c([O-])c1 ZINC000876697504 590231601 /nfs/dbraw/zinc/23/16/01/590231601.db2.gz USFVQBYCMUBLIO-LBPRGKRZSA-N 0 3 237.343 2.292 20 10 BECDHN Cc1ccc(CN2CCOC3(CCC3)C2)c(O)c1 ZINC000876765470 590239560 /nfs/dbraw/zinc/23/95/60/590239560.db2.gz XNFCKGMKLLRYKX-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000876789820 590241273 /nfs/dbraw/zinc/24/12/73/590241273.db2.gz KHBIBFJPCLFWKT-OAHLLOKOSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000876789820 590241274 /nfs/dbraw/zinc/24/12/74/590241274.db2.gz KHBIBFJPCLFWKT-OAHLLOKOSA-N 0 3 247.338 2.313 20 10 BECDHN CCC(CC)(CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877037361 590272751 /nfs/dbraw/zinc/27/27/51/590272751.db2.gz OIQOLTRREJEXBL-UHFFFAOYSA-N 0 3 237.343 2.341 20 10 BECDHN COC[C@H]([NH2+]Cc1ccc(C)cc1[O-])C(C)C ZINC000877044868 590274104 /nfs/dbraw/zinc/27/41/04/590274104.db2.gz JOUQDKRYKNMPJT-ZDUSSCGKSA-N 0 3 237.343 2.461 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000877059335 590276146 /nfs/dbraw/zinc/27/61/46/590276146.db2.gz VGBNURHOUOCTHW-CHWSQXEVSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+]CC(C)(C)CCO)c([O-])c1 ZINC000877063612 590276675 /nfs/dbraw/zinc/27/66/75/590276675.db2.gz HKJXWUBJPKCXPP-UHFFFAOYSA-N 0 3 237.343 2.199 20 10 BECDHN CO[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])C(C)C ZINC000877068316 590277185 /nfs/dbraw/zinc/27/71/85/590277185.db2.gz VEKKXJJNAHCGDD-AWEZNQCLSA-N 0 3 237.343 2.461 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCSC2)c([O-])c1 ZINC000877071764 590277562 /nfs/dbraw/zinc/27/75/62/590277562.db2.gz BRWMNBHJFDAFLN-NSHDSACASA-N 0 3 223.341 2.296 20 10 BECDHN CC[C@](C)(CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877088225 590281056 /nfs/dbraw/zinc/28/10/56/590281056.db2.gz DGWUXQHGGUTVOQ-CQSZACIVSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000877095434 590281716 /nfs/dbraw/zinc/28/17/16/590281716.db2.gz YGWFYRZYGUTVFA-BETUJISGSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000877170318 590295814 /nfs/dbraw/zinc/29/58/14/590295814.db2.gz MBXZPXSBGNLQEL-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000877170318 590295816 /nfs/dbraw/zinc/29/58/16/590295816.db2.gz MBXZPXSBGNLQEL-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c([O-])c1 ZINC000877170323 590295977 /nfs/dbraw/zinc/29/59/77/590295977.db2.gz MBXZPXSBGNLQEL-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c([O-])c1 ZINC000877170323 590295979 /nfs/dbraw/zinc/29/59/79/590295979.db2.gz MBXZPXSBGNLQEL-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[NH2+]CC[C@H]2CCOC2)c([O-])c1 ZINC000877314055 590312834 /nfs/dbraw/zinc/31/28/34/590312834.db2.gz OYBVEQQMLNZHGL-LBPRGKRZSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)CC1(O)CCC1 ZINC000877346200 590319311 /nfs/dbraw/zinc/31/93/11/590319311.db2.gz PQXQQZUWAOIOKO-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)CC1(O)CCC1 ZINC000877346200 590319313 /nfs/dbraw/zinc/31/93/13/590319313.db2.gz PQXQQZUWAOIOKO-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877406415 590324132 /nfs/dbraw/zinc/32/41/32/590324132.db2.gz XBQUDLJJHARTGT-ITDFMYJTSA-N 0 3 235.327 2.117 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000877423323 590325323 /nfs/dbraw/zinc/32/53/23/590325323.db2.gz XOEULZBJVHOSOM-CHWSQXEVSA-N 0 3 235.327 2.094 20 10 BECDHN CC[C@]1(O)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877440716 590328273 /nfs/dbraw/zinc/32/82/73/590328273.db2.gz IYNIIRWMUJMUMA-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@]1(O)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877440716 590328276 /nfs/dbraw/zinc/32/82/76/590328276.db2.gz IYNIIRWMUJMUMA-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[NH2+]CC2(N(C)C)CCC2)c([O-])c1 ZINC000877462131 590332602 /nfs/dbraw/zinc/33/26/02/590332602.db2.gz OVUPIJAFSGTNRQ-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC[C@@H]1C ZINC000877520208 590345657 /nfs/dbraw/zinc/34/56/57/590345657.db2.gz PWYWILQXIWKAQZ-STQMWFEESA-N 0 3 249.354 2.463 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](CO)C(C)C ZINC000877523799 590346497 /nfs/dbraw/zinc/34/64/97/590346497.db2.gz YYENNAOSFORSHR-GFCCVEGCSA-N 0 3 237.343 2.055 20 10 BECDHN Cc1ccc(C[NH2+][C@](C)(CO)C(C)C)c([O-])c1 ZINC000877539294 590351304 /nfs/dbraw/zinc/35/13/04/590351304.db2.gz NAKTVFVIYOGGGE-CQSZACIVSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c([O-])c1 ZINC000877552178 590354953 /nfs/dbraw/zinc/35/49/53/590354953.db2.gz LRABGWFNUSZZPZ-BETUJISGSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c([O-])c1 ZINC000877552178 590354955 /nfs/dbraw/zinc/35/49/55/590354955.db2.gz LRABGWFNUSZZPZ-BETUJISGSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c([O-])c1 ZINC000877553287 590355445 /nfs/dbraw/zinc/35/54/45/590355445.db2.gz MUJFARXLEFSBPU-IUODEOHRSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000877555711 590356102 /nfs/dbraw/zinc/35/61/02/590356102.db2.gz ZJFWODNISWZVCA-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000877555711 590356105 /nfs/dbraw/zinc/35/61/05/590356105.db2.gz ZJFWODNISWZVCA-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[NH2+]CCC(C)(C)CO)c([O-])c1 ZINC000877560164 590358493 /nfs/dbraw/zinc/35/84/93/590358493.db2.gz IWHAVZUFKDJJFM-UHFFFAOYSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CC2(CC2)C1 ZINC000877557653 590358522 /nfs/dbraw/zinc/35/85/22/590358522.db2.gz WGEPLNWWOCUJCS-UHFFFAOYSA-N 0 3 203.285 2.296 20 10 BECDHN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877562429 590359957 /nfs/dbraw/zinc/35/99/57/590359957.db2.gz ZVUFAAOPNXCOGQ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1c(C)cccc1[O-] ZINC000877562429 590359958 /nfs/dbraw/zinc/35/99/58/590359958.db2.gz ZVUFAAOPNXCOGQ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](C)CCCCO)c([O-])c1 ZINC000877562447 590360020 /nfs/dbraw/zinc/36/00/20/590360020.db2.gz SQHZHWRQWWYUIS-LBPRGKRZSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1ccc(C[NH2+][C@H](C)CC(C)(C)O)c([O-])c1 ZINC000877563215 590360658 /nfs/dbraw/zinc/36/06/58/590360658.db2.gz IIGIJSWIRQQBAD-LLVKDONJSA-N 0 3 237.343 2.340 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000877579055 590364217 /nfs/dbraw/zinc/36/42/17/590364217.db2.gz RUOOJXCYVUBFLJ-NWDGAFQWSA-N 0 3 235.327 2.358 20 10 BECDHN COCC[C@@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877587177 590367833 /nfs/dbraw/zinc/36/78/33/590367833.db2.gz HIGNSRSMVLUBRY-LLVKDONJSA-N 0 3 237.343 2.463 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC000877591609 590368564 /nfs/dbraw/zinc/36/85/64/590368564.db2.gz HCARICPRXCIELE-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC000877591609 590368566 /nfs/dbraw/zinc/36/85/66/590368566.db2.gz HCARICPRXCIELE-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)CC1=CCCOC1 ZINC000877629343 590377924 /nfs/dbraw/zinc/37/79/24/590377924.db2.gz RCJHIJONWOCCAL-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)CC1=CCCOC1 ZINC000877629343 590377925 /nfs/dbraw/zinc/37/79/25/590377925.db2.gz RCJHIJONWOCCAL-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](CO)CC1CC1 ZINC000877631630 590378053 /nfs/dbraw/zinc/37/80/53/590378053.db2.gz LCDIXDCNZVAPBJ-CYBMUJFWSA-N 0 3 249.354 2.199 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H](CO)CC2CC2)c([O-])c1 ZINC000877631611 590378282 /nfs/dbraw/zinc/37/82/82/590378282.db2.gz KMRDTKXDGCAFFL-CYBMUJFWSA-N 0 3 249.354 2.199 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H]3COC[C@]3(C)C2)c([O-])c1 ZINC000877631945 590378435 /nfs/dbraw/zinc/37/84/35/590378435.db2.gz WTEHUDNVKPKOPF-ZFWWWQNUSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H]3COC[C@]3(C)C2)c([O-])c1 ZINC000877631945 590378438 /nfs/dbraw/zinc/37/84/38/590378438.db2.gz WTEHUDNVKPKOPF-ZFWWWQNUSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])c1 ZINC000877638022 590381812 /nfs/dbraw/zinc/38/18/12/590381812.db2.gz RKVOYVSJWOQJDO-KBPBESRZSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H]3COC[C@@H]3C2)c([O-])c1 ZINC000877638022 590381815 /nfs/dbraw/zinc/38/18/15/590381815.db2.gz RKVOYVSJWOQJDO-KBPBESRZSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000877649643 590383862 /nfs/dbraw/zinc/38/38/62/590383862.db2.gz DEUWKYWKVUMHEO-TXEJJXNPSA-N 0 3 203.285 2.152 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000877649643 590383864 /nfs/dbraw/zinc/38/38/64/590383864.db2.gz DEUWKYWKVUMHEO-TXEJJXNPSA-N 0 3 203.285 2.152 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000877658755 590385645 /nfs/dbraw/zinc/38/56/45/590385645.db2.gz WKYHPHRGKFBUMV-IUODEOHRSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000877658757 590385684 /nfs/dbraw/zinc/38/56/84/590385684.db2.gz WKYHPHRGKFBUMV-WFASDCNBSA-N 0 3 247.338 2.358 20 10 BECDHN CC[C@]1(O)CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877691759 590393337 /nfs/dbraw/zinc/39/33/37/590393337.db2.gz VOXDXRSNMLWGON-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@]1(O)CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877691759 590393338 /nfs/dbraw/zinc/39/33/38/590393338.db2.gz VOXDXRSNMLWGON-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cc(Cl)cc(CNC2(C)COC2)c1O ZINC000877691357 590393387 /nfs/dbraw/zinc/39/33/87/590393387.db2.gz NTIUBZYOKBPVCL-UHFFFAOYSA-N 0 3 241.718 2.233 20 10 BECDHN Oc1cccc2c1CN(CC1=CCCOC1)C2 ZINC000877702962 590396823 /nfs/dbraw/zinc/39/68/23/590396823.db2.gz MHYXRLFTAMLMGI-UHFFFAOYSA-N 0 3 231.295 2.055 20 10 BECDHN [O-]c1cccc2c1C[N@H+](CC1=CCCOC1)C2 ZINC000877702962 590396826 /nfs/dbraw/zinc/39/68/26/590396826.db2.gz MHYXRLFTAMLMGI-UHFFFAOYSA-N 0 3 231.295 2.055 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](CC1=CCCOC1)C2 ZINC000877702962 590396828 /nfs/dbraw/zinc/39/68/28/590396828.db2.gz MHYXRLFTAMLMGI-UHFFFAOYSA-N 0 3 231.295 2.055 20 10 BECDHN COc1cccc(CN2CC(C)(C)C2)c1O ZINC000877717038 590398394 /nfs/dbraw/zinc/39/83/94/590398394.db2.gz BYHCBQXGVYMXFI-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1[O-] ZINC000877755857 590417737 /nfs/dbraw/zinc/41/77/37/590417737.db2.gz OZTIGFDMUFHJSJ-NQBHXWOUSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@H](NCc1ccc(CO)o1)c1ccccc1O ZINC000877757331 590417869 /nfs/dbraw/zinc/41/78/69/590417869.db2.gz QGMIZSCKFHSQGP-JTQLQIEISA-N 0 3 247.294 2.328 20 10 BECDHN CC[C@H](C[C@H](C)O)[NH2+]Cc1c(C)cccc1[O-] ZINC000877779155 590423096 /nfs/dbraw/zinc/42/30/96/590423096.db2.gz ZRJCDRFCURYDAF-NWDGAFQWSA-N 0 3 237.343 2.340 20 10 BECDHN COC(CC[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000879649721 590841375 /nfs/dbraw/zinc/84/13/75/590841375.db2.gz DOMXPSCAMYFQFK-JTQLQIEISA-N 0 3 239.315 2.052 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CCO[C@H]1C)c1ccccc1[O-] ZINC000879650278 590843182 /nfs/dbraw/zinc/84/31/82/590843182.db2.gz STVLIJJLGWFINX-GRYCIOLGSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000131098063 591552715 /nfs/dbraw/zinc/55/27/15/591552715.db2.gz OYJKGUDQCPDEGJ-KOLCDFICSA-N 0 3 249.310 2.399 20 10 BECDHN CC[C@H]1COCCN1Cc1ccccc1O ZINC000132633470 591725951 /nfs/dbraw/zinc/72/59/51/591725951.db2.gz FSWAUCNJTAHJTI-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN COC(C)(C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000133033410 591757118 /nfs/dbraw/zinc/75/71/18/591757118.db2.gz QWZFANFYMVCKLW-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN COC(C)(C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000133986884 591873473 /nfs/dbraw/zinc/87/34/73/591873473.db2.gz VUESWZAJVXJFQT-JTQLQIEISA-N 0 3 223.316 2.468 20 10 BECDHN Cc1ncccc1C[NH2+]Cc1ccccc1[O-] ZINC000310437770 632739687 /nfs/dbraw/zinc/73/96/87/632739687.db2.gz OXDULISBDDKALZ-UHFFFAOYSA-N 0 3 228.295 2.385 20 10 BECDHN C[C@H](C[C@H](C)O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310472315 632746937 /nfs/dbraw/zinc/74/69/37/632746937.db2.gz IXRGELFZODVFES-SCVCMEIPSA-N 0 3 235.327 2.129 20 10 BECDHN CC(C)OC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000309412835 633033069 /nfs/dbraw/zinc/03/30/69/633033069.db2.gz YGSKSBNGEAUQIR-NSHDSACASA-N 0 3 223.316 2.295 20 10 BECDHN C[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000162939651 633042878 /nfs/dbraw/zinc/04/28/78/633042878.db2.gz ULVKZBYNQVIVNK-ZYHUDNBSSA-N 0 3 221.300 2.049 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(O)CCCC1)CC2 ZINC000311129756 633074722 /nfs/dbraw/zinc/07/47/22/633074722.db2.gz BVOROMMIUFHMKC-GFCCVEGCSA-N 0 3 247.338 2.274 20 10 BECDHN CCC[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180728031 633900246 /nfs/dbraw/zinc/90/02/46/633900246.db2.gz NJBGGCGKKSDLCF-ZDUSSCGKSA-N 0 3 241.306 2.172 20 10 BECDHN CC[C@@H]([NH2+][C@H](CO)C(C)C)c1ccccc1[O-] ZINC000092393806 634115329 /nfs/dbraw/zinc/11/53/29/634115329.db2.gz ZYXXCSWOTFUROT-CHWSQXEVSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCCN(C)C1)c1ccccc1[O-] ZINC000040671898 636937248 /nfs/dbraw/zinc/93/72/48/636937248.db2.gz WZAQRKGGENTEPD-VXGBXAGGSA-N 0 3 234.343 2.137 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCCN(C)C1)c1ccccc1[O-] ZINC000040671900 636938245 /nfs/dbraw/zinc/93/82/45/636938245.db2.gz WZAQRKGGENTEPD-NEPJUHHUSA-N 0 3 234.343 2.137 20 10 BECDHN COc1cccc(O)c1CNC/C=C/Cl ZINC000898436899 637042247 /nfs/dbraw/zinc/04/22/47/637042247.db2.gz WNAHKKLLMBFDCT-ZZXKWVIFSA-N 0 3 227.691 2.243 20 10 BECDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CS1 ZINC000162936263 637229606 /nfs/dbraw/zinc/22/96/06/637229606.db2.gz LLOUFZOOHSVLJM-GXSJLCMTSA-N 0 3 223.341 2.376 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H]1CCOC1)CC2 ZINC000311106697 639534536 /nfs/dbraw/zinc/53/45/36/639534536.db2.gz VLMGSBRLZJDITP-DGCLKSJQSA-N 0 3 247.338 2.396 20 10 BECDHN CC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163983639 640434613 /nfs/dbraw/zinc/43/46/13/640434613.db2.gz WVJFVIWUEUQJGQ-WDEREUQCSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000163983744 640434879 /nfs/dbraw/zinc/43/48/79/640434879.db2.gz WVJFVIWUEUQJGQ-MNOVXSKESA-N 0 3 223.316 2.204 20 10 BECDHN CC(C)C[C@@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226588096 640778712 /nfs/dbraw/zinc/77/87/12/640778712.db2.gz ZBUYRRTYUGMTJT-GFCCVEGCSA-N 0 3 241.306 2.028 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCC1CC1 ZINC000226613056 640779971 /nfs/dbraw/zinc/77/99/71/640779971.db2.gz UTCMUHGVIQMQRK-UHFFFAOYSA-N 0 3 209.264 2.421 20 10 BECDHN C[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCCOC1 ZINC000226626078 640784604 /nfs/dbraw/zinc/78/46/04/640784604.db2.gz KPAFYPCAEPKEBO-ZDUSSCGKSA-N 0 3 239.290 2.190 20 10 BECDHN C[C@@H](CO)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311177202 640831720 /nfs/dbraw/zinc/83/17/20/640831720.db2.gz VHYWGIZAQKGLTQ-DGCLKSJQSA-N 0 3 249.354 2.378 20 10 BECDHN C[C@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1[O-] ZINC000230410549 641052291 /nfs/dbraw/zinc/05/22/91/641052291.db2.gz LLDKQIUDHDZUJX-RYUDHWBXSA-N 0 3 235.327 2.469 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000186067547 643435514 /nfs/dbraw/zinc/43/55/14/643435514.db2.gz NCQHKSFJWFAQEI-DRZSPHRISA-N 0 3 235.327 2.265 20 10 BECDHN C[C@H](CO)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756448380 644627917 /nfs/dbraw/zinc/62/79/17/644627917.db2.gz BWEMGJSXVXUYCO-MRTMQBJTSA-N 0 3 239.290 2.050 20 10 BECDHN CC[C@H](C)[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000304065304 644869031 /nfs/dbraw/zinc/86/90/31/644869031.db2.gz SVJPLIPCBCATKU-SMDDNHRTSA-N 0 3 237.343 2.279 20 10 BECDHN CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccc(F)cc1[O-] ZINC000817979834 644992530 /nfs/dbraw/zinc/99/25/30/644992530.db2.gz PNOJIIRXJCWQIW-SBMIAAHKSA-N 0 3 240.322 2.308 20 10 BECDHN CO[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000706483566 712147632 /nfs/dbraw/zinc/14/76/32/712147632.db2.gz MZDIOWMOGVKEFV-DCAQKATOSA-N 0 3 221.300 2.220 20 10 BECDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])CCO1 ZINC000720481242 712846568 /nfs/dbraw/zinc/84/65/68/712846568.db2.gz GTJFJLMHEOFBHX-LLVKDONJSA-N 0 3 221.300 2.003 20 10 BECDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])CCO1 ZINC000720481242 712846569 /nfs/dbraw/zinc/84/65/69/712846569.db2.gz GTJFJLMHEOFBHX-LLVKDONJSA-N 0 3 221.300 2.003 20 10 BECDHN COCCC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000381713015 710681968 /nfs/dbraw/zinc/68/19/68/710681968.db2.gz KOTDGRWVARVCHN-UHFFFAOYSA-N 0 3 223.316 2.297 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397718858 710909771 /nfs/dbraw/zinc/90/97/71/710909771.db2.gz ABUJSERCTASGPO-BZBKMWRSSA-N 0 3 221.275 2.419 20 10 BECDHN C[C@H](O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000383872001 710986357 /nfs/dbraw/zinc/98/63/57/710986357.db2.gz PXELIMDRMMRTJU-JQWIXIFHSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H]1CC[C@H](C[NH2+]Cc2cc(F)ccc2[O-])O1 ZINC000398101171 711400425 /nfs/dbraw/zinc/40/04/25/711400425.db2.gz XFQYKMHOKYEXDP-JOYOIKCWSA-N 0 3 239.290 2.188 20 10 BECDHN CN1CCC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000380920050 710594986 /nfs/dbraw/zinc/59/49/86/710594986.db2.gz CQHOSNOGHKIPBU-STQMWFEESA-N 0 3 246.354 2.063 20 10 BECDHN C[C@@](O)(C[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000386582335 711032539 /nfs/dbraw/zinc/03/25/39/711032539.db2.gz AHOYXCYSYXKCLS-SWLSCSKDSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@@H]([NH2+]CCN1CC=CCC1)c1ccccc1[O-] ZINC000392264675 711144591 /nfs/dbraw/zinc/14/45/91/711144591.db2.gz MDSSVECRKBKLMN-CYBMUJFWSA-N 0 3 246.354 2.305 20 10 BECDHN Cc1ccc(CN[C@H](C)c2ccccc2O)nn1 ZINC000396724868 711368711 /nfs/dbraw/zinc/36/87/11/711368711.db2.gz YDWGSTGTBBANRZ-LLVKDONJSA-N 0 3 243.310 2.341 20 10 BECDHN C[C@H]([NH2+]CCc1cn(C)cn1)c1ccccc1[O-] ZINC000313305819 711716992 /nfs/dbraw/zinc/71/69/92/711716992.db2.gz SJEFMCQEYRXQGS-NSHDSACASA-N 0 3 245.326 2.019 20 10 BECDHN C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000701511522 712025295 /nfs/dbraw/zinc/02/52/95/712025295.db2.gz JVRPZALHVGXULD-DGCLKSJQSA-N 0 3 235.327 2.439 20 10 BECDHN C[C@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N)cc1 ZINC000706291401 712144138 /nfs/dbraw/zinc/14/41/38/712144138.db2.gz UZTHFLRSXYSUDT-QWRGUYRKSA-N 0 3 247.342 2.080 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](CO)C2)c([O-])c1 ZINC000707702441 712176575 /nfs/dbraw/zinc/17/65/75/712176575.db2.gz ISKYKKIVZJQPOD-UTUOFQBUSA-N 0 3 235.327 2.122 20 10 BECDHN CC(C)[C@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180741762 712386782 /nfs/dbraw/zinc/38/67/82/712386782.db2.gz JIRMIHPLPZFYID-CYBMUJFWSA-N 0 3 241.306 2.028 20 10 BECDHN C[C@@H]([NH2+]CCc1cn[nH]c1)c1cc(F)ccc1[O-] ZINC000379589848 712389710 /nfs/dbraw/zinc/38/97/10/712389710.db2.gz SDPJSRFOHXJCIN-SECBINFHSA-N 0 3 249.289 2.148 20 10 BECDHN CCN1CC[C@H]1C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000712528451 712441054 /nfs/dbraw/zinc/44/10/54/712441054.db2.gz JEXIKLYRJIHKGI-OLZOCXBDSA-N 0 3 248.370 2.445 20 10 BECDHN CO[C@H]1C[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000714604557 712488057 /nfs/dbraw/zinc/48/80/57/712488057.db2.gz LBWKUZVKFVBIMI-OTCDBFHCSA-N 0 3 239.290 2.046 20 10 BECDHN Cc1n[nH]c(C[NH2+]Cc2ccccc2[O-])c1C ZINC000716454330 712561855 /nfs/dbraw/zinc/56/18/55/712561855.db2.gz BAVSSTGUORECHX-UHFFFAOYSA-N 0 3 231.299 2.022 20 10 BECDHN C[C@@H]([NH2+][C@@H](CO)C1CCC1)c1ccccc1[O-] ZINC000717603445 712662047 /nfs/dbraw/zinc/66/20/47/712662047.db2.gz IDXYJAZJAICCAK-MFKMUULPSA-N 0 3 235.327 2.204 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CO)C1CCC1)CC2 ZINC000717617517 712662843 /nfs/dbraw/zinc/66/28/43/712662843.db2.gz ZSVPGEGCCYPXSB-STQMWFEESA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1C)c1ccccc1[O-] ZINC000719647009 712819911 /nfs/dbraw/zinc/81/99/11/712819911.db2.gz MMVLGYCQMHYDBL-LOWVWBTDSA-N 0 3 234.343 2.135 20 10 BECDHN COC(C)(C)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000720154601 712828456 /nfs/dbraw/zinc/82/84/56/712828456.db2.gz CQHZPYXWYCQKEI-SECBINFHSA-N 0 3 241.306 2.434 20 10 BECDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])CCO1 ZINC000720481243 712846614 /nfs/dbraw/zinc/84/66/14/712846614.db2.gz GTJFJLMHEOFBHX-NSHDSACASA-N 0 3 221.300 2.003 20 10 BECDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])CCO1 ZINC000720481243 712846616 /nfs/dbraw/zinc/84/66/16/712846616.db2.gz GTJFJLMHEOFBHX-NSHDSACASA-N 0 3 221.300 2.003 20 10 BECDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])CCO1 ZINC000720485463 712846998 /nfs/dbraw/zinc/84/69/98/712846998.db2.gz VGOQUWHJKYKXCY-JTQLQIEISA-N 0 3 239.290 2.142 20 10 BECDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])CCO1 ZINC000720485463 712846999 /nfs/dbraw/zinc/84/69/99/712846999.db2.gz VGOQUWHJKYKXCY-JTQLQIEISA-N 0 3 239.290 2.142 20 10 BECDHN CC1(C)CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204272772 966951229 /nfs/dbraw/zinc/95/12/29/966951229.db2.gz RMXFWRLYMJYNAG-UHFFFAOYSA-N 0 3 221.300 2.472 20 10 BECDHN CC1(C)CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204272772 966951236 /nfs/dbraw/zinc/95/12/36/966951236.db2.gz RMXFWRLYMJYNAG-UHFFFAOYSA-N 0 3 221.300 2.472 20 10 BECDHN [O-]c1ccc(Cl)cc1C[NH2+]Cc1cnc[nH]1 ZINC000084080892 1166166425 /nfs/dbraw/zinc/16/64/25/1166166425.db2.gz PSSWBJMRUNLDDQ-UHFFFAOYSA-N 0 3 237.690 2.059 20 10 BECDHN CCC(CC)[NH2+]Cc1cccc(O)c1[O-] ZINC000042290226 1166617164 /nfs/dbraw/zinc/61/71/64/1166617164.db2.gz PHXJMNCQIGGXCR-UHFFFAOYSA-N 0 3 209.289 2.376 20 10 BECDHN CCc1ccc(C[N@H+](C)CC2COC2)c([O-])c1 ZINC001236794831 979741436 /nfs/dbraw/zinc/74/14/36/979741436.db2.gz PPWLXYJHMJEQEI-UHFFFAOYSA-N 0 3 235.327 2.033 20 10 BECDHN CCc1ccc(C[N@@H+](C)CC2COC2)c([O-])c1 ZINC001236794831 979741443 /nfs/dbraw/zinc/74/14/43/979741443.db2.gz PPWLXYJHMJEQEI-UHFFFAOYSA-N 0 3 235.327 2.033 20 10 BECDHN COc1cc(C)c(C[N@H+](C)C2CC2)c([O-])c1 ZINC001236819126 979749339 /nfs/dbraw/zinc/74/93/39/979749339.db2.gz UIDRWKIDBJBMBJ-UHFFFAOYSA-N 0 3 221.300 2.303 20 10 BECDHN COc1cc(C)c(C[N@@H+](C)C2CC2)c([O-])c1 ZINC001236819126 979749349 /nfs/dbraw/zinc/74/93/49/979749349.db2.gz UIDRWKIDBJBMBJ-UHFFFAOYSA-N 0 3 221.300 2.303 20 10 BECDHN CN1CCCc2cc(CN3CC=CC3)ccc21 ZINC001138354326 1169353478 /nfs/dbraw/zinc/35/34/78/1169353478.db2.gz FJWKRBUJFBTHKW-UHFFFAOYSA-N 0 3 228.339 2.441 20 10 BECDHN C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1ccccc1[O-] ZINC000402111342 956974128 /nfs/dbraw/zinc/97/41/28/956974128.db2.gz DKSBWWKKRHBTNM-GMTAPVOTSA-N 0 3 221.300 2.220 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724813892 959686065 /nfs/dbraw/zinc/68/60/65/959686065.db2.gz HWKSNURYTFCKSR-TZMCWYRMSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC000724813892 959686069 /nfs/dbraw/zinc/68/60/69/959686069.db2.gz HWKSNURYTFCKSR-TZMCWYRMSA-N 0 3 233.311 2.003 20 10 BECDHN Cc1c(O)ccc(CN2C[C@@H](F)C[C@H]2C)c1O ZINC001140742493 960546653 /nfs/dbraw/zinc/54/66/53/960546653.db2.gz PNCWOCLOQHXNEI-KCJUWKMLSA-N 0 3 239.290 2.339 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC001140948074 960739785 /nfs/dbraw/zinc/73/97/85/960739785.db2.gz RTKPHWCMESFYQO-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC001140948074 960739799 /nfs/dbraw/zinc/73/97/99/960739799.db2.gz RTKPHWCMESFYQO-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001140947843 960740616 /nfs/dbraw/zinc/74/06/16/960740616.db2.gz HWGKWWKANHMQNY-RWMBFGLXSA-N 0 3 235.302 2.490 20 10 BECDHN CCC[N@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141031731 960824160 /nfs/dbraw/zinc/82/41/60/960824160.db2.gz JABHSAHDKZNROI-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN CCC[N@@H+](C)Cc1c([O-])cc(OC)cc1OC ZINC001141031731 960824161 /nfs/dbraw/zinc/82/41/61/960824161.db2.gz JABHSAHDKZNROI-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN COc1cc(O)c(CN2CC[C@@H]2C)c(OC)c1 ZINC001141032238 960825779 /nfs/dbraw/zinc/82/57/79/960825779.db2.gz WVBIGOJIKYHNNC-VIFPVBQESA-N 0 3 237.299 2.004 20 10 BECDHN Oc1ccc(O)c(CN2CC3(C2)CCCC3)c1 ZINC001141156870 960890027 /nfs/dbraw/zinc/89/00/27/960890027.db2.gz VZLUUZLMBUSSIO-UHFFFAOYSA-N 0 3 233.311 2.474 20 10 BECDHN C[C@H]1C[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CCO1 ZINC001168137189 963835892 /nfs/dbraw/zinc/83/58/92/963835892.db2.gz NLRXHBYLRYISJI-AAEUAGOBSA-N 0 3 247.338 2.318 20 10 BECDHN C[C@H]1C[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CCO1 ZINC001168137189 963835898 /nfs/dbraw/zinc/83/58/98/963835898.db2.gz NLRXHBYLRYISJI-AAEUAGOBSA-N 0 3 247.338 2.318 20 10 BECDHN Cc1cccc(CNc2cccc(N)n2)c1O ZINC001160769305 964408167 /nfs/dbraw/zinc/40/81/67/964408167.db2.gz KMQSCRVVNLMBRK-UHFFFAOYSA-N 0 3 229.283 2.290 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCN(C)C2)c([O-])c1 ZINC000042545126 964825968 /nfs/dbraw/zinc/82/59/68/964825968.db2.gz AQDJKZBSGSBENA-RYUDHWBXSA-N 0 3 234.343 2.055 20 10 BECDHN Cc1csc(CC[NH2+]Cc2ccccc2[O-])n1 ZINC000060942051 965310072 /nfs/dbraw/zinc/31/00/72/965310072.db2.gz LSYSWNLHJXMSPH-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN CC[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccccc1[O-] ZINC000699791433 966094071 /nfs/dbraw/zinc/09/40/71/966094071.db2.gz UBPVMSQMHOAREI-DRZSPHRISA-N 0 3 235.327 2.468 20 10 BECDHN CCc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC001236784058 966532349 /nfs/dbraw/zinc/53/23/49/966532349.db2.gz RROHMQHVZIQSFL-RISCZKNCSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC001236784058 966532361 /nfs/dbraw/zinc/53/23/61/966532361.db2.gz RROHMQHVZIQSFL-RISCZKNCSA-N 0 3 249.354 2.300 20 10 BECDHN COc1ccc(C[N@@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001203622087 966710944 /nfs/dbraw/zinc/71/09/44/966710944.db2.gz ODWDSQRFCPGIMG-UHFFFAOYSA-N 0 3 233.311 2.387 20 10 BECDHN COc1ccc(C[N@H+]2CCC3(CC3)C2)c([O-])c1 ZINC001203622087 966710946 /nfs/dbraw/zinc/71/09/46/966710946.db2.gz ODWDSQRFCPGIMG-UHFFFAOYSA-N 0 3 233.311 2.387 20 10 BECDHN COc1ccc(C[NH+]2CC(C)(C)C2)c([O-])c1 ZINC001203621472 966711714 /nfs/dbraw/zinc/71/17/14/966711714.db2.gz VREDOMLYTJZAPA-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN COc1ccc(CN2CC(C)(C)C2)c(O)c1 ZINC001203621472 966711717 /nfs/dbraw/zinc/71/17/17/966711717.db2.gz VREDOMLYTJZAPA-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000691301116 966787557 /nfs/dbraw/zinc/78/75/57/966787557.db2.gz CQGGGMKLBNCMJU-TZMCWYRMSA-N 0 3 233.311 2.049 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC2(CCC2)C1 ZINC001203550130 966931909 /nfs/dbraw/zinc/93/19/09/966931909.db2.gz IXIFZLMYZQYMMC-UHFFFAOYSA-N 0 3 203.285 2.378 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001203550308 966935677 /nfs/dbraw/zinc/93/56/77/966935677.db2.gz QYHZQQAPEMZRHM-WFASDCNBSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2CCCO[C@H]2C1 ZINC001203550308 966935682 /nfs/dbraw/zinc/93/56/82/966935682.db2.gz QYHZQQAPEMZRHM-WFASDCNBSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001203550307 966936604 /nfs/dbraw/zinc/93/66/04/966936604.db2.gz QYHZQQAPEMZRHM-SWLSCSKDSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2CCCO[C@@H]2C1 ZINC001203550307 966936612 /nfs/dbraw/zinc/93/66/12/966936612.db2.gz QYHZQQAPEMZRHM-SWLSCSKDSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H]2C[C@@H]21 ZINC001204277373 966961280 /nfs/dbraw/zinc/96/12/80/966961280.db2.gz BPGINAODCMONHF-SKDRFNHKSA-N 0 3 219.284 2.082 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H]2C[C@@H]21 ZINC001204277373 966961284 /nfs/dbraw/zinc/96/12/84/966961284.db2.gz BPGINAODCMONHF-SKDRFNHKSA-N 0 3 219.284 2.082 20 10 BECDHN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000694397427 967815689 /nfs/dbraw/zinc/81/56/89/967815689.db2.gz YYAUSNGRKDKKKJ-WQAKAFBOSA-N 0 3 221.300 2.220 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])Cc1ccc[nH]c1=O ZINC001207008843 968544612 /nfs/dbraw/zinc/54/46/12/968544612.db2.gz MZLDSJONOCGZQK-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])Cc1ccc[nH]c1=O ZINC001207008843 968544624 /nfs/dbraw/zinc/54/46/24/968544624.db2.gz MZLDSJONOCGZQK-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN CCCC[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252093936 968572643 /nfs/dbraw/zinc/57/26/43/968572643.db2.gz KQRDYWZJIOHDAY-ZDUSSCGKSA-N 0 3 249.354 2.301 20 10 BECDHN CCCC[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252093936 968572647 /nfs/dbraw/zinc/57/26/47/968572647.db2.gz KQRDYWZJIOHDAY-ZDUSSCGKSA-N 0 3 249.354 2.301 20 10 BECDHN C[N@H+](Cc1cc[nH]c(=O)c1)Cc1ccccc1[O-] ZINC001207123675 968644084 /nfs/dbraw/zinc/64/40/84/968644084.db2.gz WTTXHXFBPVOPLA-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN C[N@@H+](Cc1cc[nH]c(=O)c1)Cc1ccccc1[O-] ZINC001207123675 968644092 /nfs/dbraw/zinc/64/40/92/968644092.db2.gz WTTXHXFBPVOPLA-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN O=C1C[C@H]2C[C@H]([NH2+]Cc3ccccc3[O-])C[C@H]2C1 ZINC001254921729 969821688 /nfs/dbraw/zinc/82/16/88/969821688.db2.gz GHBBFUJJKFRFLH-ITGUQSILSA-N 0 3 245.322 2.240 20 10 BECDHN CO[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC001331074197 974585849 /nfs/dbraw/zinc/58/58/49/974585849.db2.gz ALWCKANFOLSFGU-CHWSQXEVSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC001333781073 976077771 /nfs/dbraw/zinc/07/77/71/976077771.db2.gz RBSDACJBJZPFQP-QKCSRTOESA-N 0 3 233.311 2.110 20 10 BECDHN COc1cc(N(C)C)ccc1CN1CC[C@@H]1C ZINC001231849219 977768928 /nfs/dbraw/zinc/76/89/28/977768928.db2.gz OVJUJBHJIABZTN-NSHDSACASA-N 0 3 234.343 2.355 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@](O)(C3CC3)C2)c([O-])c1 ZINC001331074675 977995987 /nfs/dbraw/zinc/99/59/87/977995987.db2.gz GNFFJERYTJVJED-OAHLLOKOSA-N 0 3 247.338 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@](O)(C3CC3)C2)c([O-])c1 ZINC001331074675 977995996 /nfs/dbraw/zinc/99/59/96/977995996.db2.gz GNFFJERYTJVJED-OAHLLOKOSA-N 0 3 247.338 2.047 20 10 BECDHN CC1CC(N(C)Cc2cc(O)c(O)c(O)c2)C1 ZINC001233010072 978407592 /nfs/dbraw/zinc/40/75/92/978407592.db2.gz JXXAHBHQJYLXAO-UHFFFAOYSA-N 0 3 237.299 2.034 20 10 BECDHN CN(CCC1CC1)Cc1cc(O)c(O)c(O)c1 ZINC001233015359 978415929 /nfs/dbraw/zinc/41/59/29/978415929.db2.gz LLDMENZXALPKJQ-UHFFFAOYSA-N 0 3 237.299 2.035 20 10 BECDHN CCN1CCN(c2ccc(OC3CC3)cc2)CC1 ZINC001234657594 978892337 /nfs/dbraw/zinc/89/23/37/978892337.db2.gz FKCPDEHUFIFOKP-UHFFFAOYSA-N 0 3 246.354 2.370 20 10 BECDHN Oc1ccc(CN2CCC[C@@H]2CF)c(O)c1 ZINC001204281960 978950008 /nfs/dbraw/zinc/95/00/08/978950008.db2.gz LNHGPFUQLGTUHD-SNVBAGLBSA-N 0 3 225.263 2.032 20 10 BECDHN [O-]c1ccc(F)cc1C[NH+]1CCC(F)CC1 ZINC000689910689 979066892 /nfs/dbraw/zinc/06/68/92/979066892.db2.gz YZZLQDWDHPTDJL-UHFFFAOYSA-N 0 3 227.254 2.465 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC001236784314 979729278 /nfs/dbraw/zinc/72/92/78/979729278.db2.gz URPJKMWAIAOVRX-CYBMUJFWSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC001236784314 979729283 /nfs/dbraw/zinc/72/92/83/979729283.db2.gz URPJKMWAIAOVRX-CYBMUJFWSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001236784398 979733917 /nfs/dbraw/zinc/73/39/17/979733917.db2.gz WGTYJVLJOZJNCO-ABAIWWIYSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001236784398 979733923 /nfs/dbraw/zinc/73/39/23/979733923.db2.gz WGTYJVLJOZJNCO-ABAIWWIYSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC001236794869 979740367 /nfs/dbraw/zinc/74/03/67/979740367.db2.gz QLFCSMZYDFVZOJ-CYBMUJFWSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1ccc(C[N@@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC001236794869 979740381 /nfs/dbraw/zinc/74/03/81/979740381.db2.gz QLFCSMZYDFVZOJ-CYBMUJFWSA-N 0 3 235.327 2.175 20 10 BECDHN CC[N@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236819657 979748252 /nfs/dbraw/zinc/74/82/52/979748252.db2.gz YQNXERPCWXKXSJ-UHFFFAOYSA-N 0 3 209.289 2.161 20 10 BECDHN CC[N@@H+](C)Cc1c(C)cc(OC)cc1[O-] ZINC001236819657 979748261 /nfs/dbraw/zinc/74/82/61/979748261.db2.gz YQNXERPCWXKXSJ-UHFFFAOYSA-N 0 3 209.289 2.161 20 10 BECDHN O=C1CCC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]12 ZINC001203561987 979794446 /nfs/dbraw/zinc/79/44/46/979794446.db2.gz AIXHIHUOTBTOQK-WCQYABFASA-N 0 3 245.322 2.193 20 10 BECDHN O=C1CCC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]12 ZINC001203561987 979794451 /nfs/dbraw/zinc/79/44/51/979794451.db2.gz AIXHIHUOTBTOQK-WCQYABFASA-N 0 3 245.322 2.193 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001237044118 979807365 /nfs/dbraw/zinc/80/73/65/979807365.db2.gz ARHKQKPUEXXVKR-RISCZKNCSA-N 0 3 249.354 2.471 20 10 BECDHN CC(C)c1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001237044118 979807366 /nfs/dbraw/zinc/80/73/66/979807366.db2.gz ARHKQKPUEXXVKR-RISCZKNCSA-N 0 3 249.354 2.471 20 10 BECDHN CC(C)c1ccc(CN2CC(C)(CO)C2)c(O)c1 ZINC001237045418 979808293 /nfs/dbraw/zinc/80/82/93/979808293.db2.gz KLIRORIYTKQEAB-UHFFFAOYSA-N 0 3 249.354 2.330 20 10 BECDHN CC(C)c1ccc(CN2CC3(COC3)C2)c(O)c1 ZINC001237046634 979808510 /nfs/dbraw/zinc/80/85/10/979808510.db2.gz UIURRWNXSQEQLD-UHFFFAOYSA-N 0 3 247.338 2.348 20 10 BECDHN CCOc1ccc(C[NH+]2CC=CC2)c([O-])c1 ZINC001237043688 979808590 /nfs/dbraw/zinc/80/85/90/979808590.db2.gz JCFKYXYWZPNGDG-UHFFFAOYSA-N 0 3 219.284 2.163 20 10 BECDHN Nc1ccc(CN2CCNC3=CCCC[C@@H]32)cc1 ZINC001237228017 979856456 /nfs/dbraw/zinc/85/64/56/979856456.db2.gz HQMLNAVCDNKKSY-HNNXBMFYSA-N 0 3 243.354 2.110 20 10 BECDHN CCO[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC001237491144 979917622 /nfs/dbraw/zinc/91/76/22/979917622.db2.gz HNHJAINRCUSTIG-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN CCO[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC001237491144 979917631 /nfs/dbraw/zinc/91/76/31/979917631.db2.gz HNHJAINRCUSTIG-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237493413 979918603 /nfs/dbraw/zinc/91/86/03/979918603.db2.gz YFPFYLWUZJWOLQ-IUODEOHRSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001237493413 979918610 /nfs/dbraw/zinc/91/86/10/979918610.db2.gz YFPFYLWUZJWOLQ-IUODEOHRSA-N 0 3 247.338 2.311 20 10 BECDHN CSCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC001237495538 979923125 /nfs/dbraw/zinc/92/31/25/979923125.db2.gz RIYCMSKJKCARJB-UHFFFAOYSA-N 0 3 225.357 2.495 20 10 BECDHN CSCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC001237495538 979923132 /nfs/dbraw/zinc/92/31/32/979923132.db2.gz RIYCMSKJKCARJB-UHFFFAOYSA-N 0 3 225.357 2.495 20 10 BECDHN COC[C@H]1CCN1Cc1cc(F)cc(C)c1O ZINC001238066305 980138192 /nfs/dbraw/zinc/13/81/92/980138192.db2.gz MAIAYJAGMFTFJW-GFCCVEGCSA-N 0 3 239.290 2.060 20 10 BECDHN [O-]c1cccc2c1C[N@H+](CC1CCOCC1)CC2 ZINC001202598623 984102939 /nfs/dbraw/zinc/10/29/39/984102939.db2.gz PQTXYFADNMAYFU-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](CC1CCOCC1)CC2 ZINC001202598623 984102953 /nfs/dbraw/zinc/10/29/53/984102953.db2.gz PQTXYFADNMAYFU-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2[O-])[C@@H](C)O1 ZINC000686515627 985127781 /nfs/dbraw/zinc/12/77/81/985127781.db2.gz UFHCTCKLYODDPQ-NQBHXWOUSA-N 0 3 235.327 2.295 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C)C1 ZINC001255492411 986991700 /nfs/dbraw/zinc/99/17/00/986991700.db2.gz DDNDQOSEXZBBGK-CQSZACIVSA-N 0 3 248.370 2.308 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCN(C)C1 ZINC001255492411 986991712 /nfs/dbraw/zinc/99/17/12/986991712.db2.gz DDNDQOSEXZBBGK-CQSZACIVSA-N 0 3 248.370 2.308 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1(CO)CC1 ZINC000696129672 987337426 /nfs/dbraw/zinc/33/74/26/987337426.db2.gz BZERZOXJZYFNQO-PWSUYJOCSA-N 0 3 247.338 2.130 20 10 BECDHN CC(=O)[C@@H]1CCCN1Cc1cccc(F)c1O ZINC001138131150 990886616 /nfs/dbraw/zinc/88/66/16/990886616.db2.gz RUJPIMZKSWDRPN-LBPRGKRZSA-N 0 3 237.274 2.085 20 10 BECDHN Cc1cc(C[NH2+][C@H](C)c2ccccc2[O-])n(C)n1 ZINC000284513444 178038451 /nfs/dbraw/zinc/03/84/51/178038451.db2.gz WFMADDJWWDZNLG-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)cc1C ZINC000191185970 178195813 /nfs/dbraw/zinc/19/58/13/178195813.db2.gz RKFRQHNDBVGDOP-YGRLFVJLSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)cc1C ZINC000191185970 178195815 /nfs/dbraw/zinc/19/58/15/178195815.db2.gz RKFRQHNDBVGDOP-YGRLFVJLSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[NH+]2CC(C(C)(C)O)C2)cc1C ZINC000297473902 178196032 /nfs/dbraw/zinc/19/60/32/178196032.db2.gz SSXBPMDXGKGORY-UHFFFAOYSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2CC[C@@H](CO)C2)cc1C ZINC000295125377 178197025 /nfs/dbraw/zinc/19/70/25/178197025.db2.gz XGFDVCDEAULQCU-OCCSQVGLSA-N 0 3 249.354 2.260 20 10 BECDHN C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000049553085 343601945 /nfs/dbraw/zinc/60/19/45/343601945.db2.gz LHAGFDOOSQWRSY-RYUDHWBXSA-N 0 3 236.359 2.383 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCC[C@@H]2O)c1 ZINC000071409183 178798754 /nfs/dbraw/zinc/79/87/54/178798754.db2.gz PRABIXRGWGDLCK-OCCSQVGLSA-N 0 3 235.327 2.094 20 10 BECDHN Cc1ccc([O-])c2c1[C@H](C)C[C@@H]2[NH2+]CCN(C)C ZINC000021968365 178806457 /nfs/dbraw/zinc/80/64/57/178806457.db2.gz DIZVRCMDNBKRSC-NEPJUHHUSA-N 0 3 248.370 2.400 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](CO)C(C)(C)C)c1[O-] ZINC000224169421 345772396 /nfs/dbraw/zinc/77/23/96/345772396.db2.gz CVHRJYQYIOMHIL-LBPRGKRZSA-N 0 3 237.343 2.197 20 10 BECDHN CC[C@@H]([NH2+][C@H](C)CO)c1ccc(C)cc1[O-] ZINC000279957350 346286882 /nfs/dbraw/zinc/28/68/82/346286882.db2.gz CDCQPHXZLJMCMH-ZYHUDNBSSA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H]2CCOC2)c1 ZINC000093840260 537969045 /nfs/dbraw/zinc/96/90/45/537969045.db2.gz PHBBMDNMPYWIJZ-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H]2CCOC2)c1 ZINC000093840260 537969051 /nfs/dbraw/zinc/96/90/51/537969051.db2.gz PHBBMDNMPYWIJZ-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@@H+]2CCCO[C@@H](C)C2)c1[O-] ZINC000124588211 179074972 /nfs/dbraw/zinc/07/49/72/179074972.db2.gz FNXNDUXGZPQTQR-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc(C[N@H+]2CCCO[C@@H](C)C2)c1[O-] ZINC000124588211 179074973 /nfs/dbraw/zinc/07/49/73/179074973.db2.gz FNXNDUXGZPQTQR-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc(CN2C[C@@H](C)O[C@H](C)C2)c1O ZINC000124498506 179081031 /nfs/dbraw/zinc/08/10/31/179081031.db2.gz PDZJBDWWBXJBHC-VXGBXAGGSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000290210665 179081405 /nfs/dbraw/zinc/08/14/05/179081405.db2.gz QNGDUYCXYVCNGS-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H](CO)C[C@@H]2C)c1[O-] ZINC000290210665 179081409 /nfs/dbraw/zinc/08/14/09/179081409.db2.gz QNGDUYCXYVCNGS-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(CN2C[C@@H](C)O[C@@H](C)C2)c1O ZINC000124498311 179085141 /nfs/dbraw/zinc/08/51/41/179085141.db2.gz PDZJBDWWBXJBHC-TXEJJXNPSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000276064270 179082458 /nfs/dbraw/zinc/08/24/58/179082458.db2.gz VLYRWSOOUGILOB-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1[O-] ZINC000276064270 179082461 /nfs/dbraw/zinc/08/24/61/179082461.db2.gz VLYRWSOOUGILOB-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(CN2C[C@@H](C)OC[C@@H]2C)c1O ZINC000124542969 179083199 /nfs/dbraw/zinc/08/31/99/179083199.db2.gz JQKWHPGELPGXIK-NWDGAFQWSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c1[O-] ZINC000224804854 179091534 /nfs/dbraw/zinc/09/15/34/179091534.db2.gz YJNDIOBNQDQAME-GFCCVEGCSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H]2CCCOC2)c1[O-] ZINC000124721753 179092080 /nfs/dbraw/zinc/09/20/80/179092080.db2.gz YBFAZEYWJUPJEI-LBPRGKRZSA-N 0 3 235.327 2.217 20 10 BECDHN CC[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168827384 346744362 /nfs/dbraw/zinc/74/43/62/346744362.db2.gz FVUDWJLSAANHLJ-GXSJLCMTSA-N 0 3 241.306 2.343 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1 ZINC000077204182 191006462 /nfs/dbraw/zinc/00/64/62/191006462.db2.gz YUCCZJZUFGMHCE-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1c([C@@H](C)[NH2+]Cc2ccccc2[O-])cnn1C ZINC000020352508 350501572 /nfs/dbraw/zinc/50/15/72/350501572.db2.gz MZFOEFMYJBWLDH-SNVBAGLBSA-N 0 3 245.326 2.285 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000189937463 188002230 /nfs/dbraw/zinc/00/22/30/188002230.db2.gz LUEIXMAUHZYPNS-YPMHNXCESA-N 0 3 235.327 2.033 20 10 BECDHN CC(C)C[C@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296207698 188269026 /nfs/dbraw/zinc/26/90/26/188269026.db2.gz ZFBBEXPBOIEETQ-OLZOCXBDSA-N 0 3 249.354 2.376 20 10 BECDHN CC[C@](C)(CCO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000230222543 353478649 /nfs/dbraw/zinc/47/86/49/353478649.db2.gz WDYJWDPYIUJXIN-CQSZACIVSA-N 0 3 237.343 2.341 20 10 BECDHN CCN(CCOC)Cc1ccc(N(C)C)cc1 ZINC000053401846 363244377 /nfs/dbraw/zinc/24/43/77/363244377.db2.gz MSCBXRFYSILIFG-UHFFFAOYSA-N 0 3 236.359 2.221 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296567119 353828345 /nfs/dbraw/zinc/82/83/45/353828345.db2.gz UUWYTSSIPUKGOE-XDYXTIEYSA-N 0 3 247.338 2.296 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000134145487 358781700 /nfs/dbraw/zinc/78/17/00/358781700.db2.gz INRRTTGCCKHUSE-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000134145487 358781702 /nfs/dbraw/zinc/78/17/02/358781702.db2.gz INRRTTGCCKHUSE-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN CC1(C)C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC000359997997 366915300 /nfs/dbraw/zinc/91/53/00/366915300.db2.gz KTNZFMVGSVEFTO-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC000359997997 366915306 /nfs/dbraw/zinc/91/53/06/366915306.db2.gz KTNZFMVGSVEFTO-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN CCOCC[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000092885106 170389121 /nfs/dbraw/zinc/38/91/21/170389121.db2.gz KHPJVGDKGMVJTG-UHFFFAOYSA-N 0 3 237.343 2.477 20 10 BECDHN CCOCC[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000092885106 170389123 /nfs/dbraw/zinc/38/91/23/170389123.db2.gz KHPJVGDKGMVJTG-UHFFFAOYSA-N 0 3 237.343 2.477 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1(CCO)CCCC1 ZINC000285641996 183042735 /nfs/dbraw/zinc/04/27/35/183042735.db2.gz XTHWUEGDBMSBSQ-UHFFFAOYSA-N 0 3 235.327 2.177 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCc1ccc(O)cc1 ZINC000026823297 183268452 /nfs/dbraw/zinc/26/84/52/183268452.db2.gz MGLZJRBLFAQUIA-UHFFFAOYSA-N 0 3 243.306 2.430 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCOC1 ZINC000180501731 183275482 /nfs/dbraw/zinc/27/54/82/183275482.db2.gz GCDYDMAHZQPKGR-SNVBAGLBSA-N 0 3 239.290 2.048 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)CC2 ZINC000296294924 183298411 /nfs/dbraw/zinc/29/84/11/183298411.db2.gz DIRAZGAHBKMXAR-KGYLQXTDSA-N 0 3 247.338 2.130 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1(C2CC2)CCOCC1 ZINC000364044763 183301540 /nfs/dbraw/zinc/30/15/40/183301540.db2.gz XKJGLFTZGKUBQS-UHFFFAOYSA-N 0 3 247.338 2.441 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC000375308565 183301969 /nfs/dbraw/zinc/30/19/69/183301969.db2.gz JBFPSKYYGONZQN-CQSZACIVSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@]12CCOC2 ZINC000375308565 183301973 /nfs/dbraw/zinc/30/19/73/183301973.db2.gz JBFPSKYYGONZQN-CQSZACIVSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCSC1 ZINC000075152006 183303691 /nfs/dbraw/zinc/30/36/91/183303691.db2.gz KFWKKYAUWGTEOP-LLVKDONJSA-N 0 3 223.341 2.377 20 10 BECDHN C[C@H](CCCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000087358109 383828129 /nfs/dbraw/zinc/82/81/29/383828129.db2.gz NEVWYRKWBFCXHF-MNOVXSKESA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000035628933 383867312 /nfs/dbraw/zinc/86/73/12/383867312.db2.gz WHKCSGAYJHVSRC-QWRGUYRKSA-N 0 3 223.316 2.122 20 10 BECDHN CCOCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000036229204 383890627 /nfs/dbraw/zinc/89/06/27/383890627.db2.gz ULCJYAPXLNNPOV-NSHDSACASA-N 0 3 223.316 2.388 20 10 BECDHN CCOCCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037269109 383967907 /nfs/dbraw/zinc/96/79/07/383967907.db2.gz NQLZESPIJOFEAV-GFCCVEGCSA-N 0 3 236.359 2.440 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C2CCN(C)CC2)c([O-])c1 ZINC000037267035 383968998 /nfs/dbraw/zinc/96/89/98/383968998.db2.gz MOZXYDWHKIDEHJ-LBPRGKRZSA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](CO)CC(C)C)c1 ZINC000071408301 384166127 /nfs/dbraw/zinc/16/61/27/384166127.db2.gz VWCSDPMCTUPFMZ-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCn2ccnc2)c1 ZINC000041119486 384179928 /nfs/dbraw/zinc/17/99/28/384179928.db2.gz BXUBPXYGABALAU-LBPRGKRZSA-N 0 3 245.326 2.248 20 10 BECDHN Cc1ccc(O)c(CN2CCO[C@@H](C)[C@@H]2C)c1 ZINC000093418537 384206572 /nfs/dbraw/zinc/20/65/72/384206572.db2.gz FSAMJJLJURAKTH-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCO)c([O-])c1 ZINC000132549205 384235755 /nfs/dbraw/zinc/23/57/55/384235755.db2.gz XUARHGIHUBCALW-QWRGUYRKSA-N 0 3 223.316 2.122 20 10 BECDHN COC[C@@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618019 384306959 /nfs/dbraw/zinc/30/69/59/384306959.db2.gz DTYRLMUKTXIPSO-VHSXEESVSA-N 0 3 241.306 2.464 20 10 BECDHN C[C@@H]([NH2+]CCCN(C)C)c1cc(F)ccc1[O-] ZINC000094616752 384307793 /nfs/dbraw/zinc/30/77/93/384307793.db2.gz KMOUENHSKWHSQZ-SNVBAGLBSA-N 0 3 240.322 2.134 20 10 BECDHN C[C@@H]([NH2+]Cc1ccnn1C)c1cc(F)ccc1[O-] ZINC000094618196 384307926 /nfs/dbraw/zinc/30/79/26/384307926.db2.gz OXCBMTLJQWWELA-SECBINFHSA-N 0 3 249.289 2.116 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)CCCO)c1cc(F)ccc1[O-] ZINC000094942584 384319558 /nfs/dbraw/zinc/31/95/58/384319558.db2.gz XIPLNBHROPMHEP-VHSXEESVSA-N 0 3 241.306 2.343 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)CCO)c1ccccc1[O-] ZINC000097439798 384519766 /nfs/dbraw/zinc/51/97/66/384519766.db2.gz CMGLHKWDOIOEOF-AAEUAGOBSA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCCN(C)C)c([O-])c1 ZINC000020091837 384574392 /nfs/dbraw/zinc/57/43/92/384574392.db2.gz OXTLMHXJQZFOEY-GFCCVEGCSA-N 0 3 236.359 2.303 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000185141723 384684631 /nfs/dbraw/zinc/68/46/31/384684631.db2.gz UEWHOJXVDZKZDF-CHWSQXEVSA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000126785847 384831629 /nfs/dbraw/zinc/83/16/29/384831629.db2.gz AELVAOLNJQGTMW-PBWFPOADSA-N 0 3 247.338 2.188 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2[C@@H]3CC[C@H]2CC(O)C3)c1 ZINC000126785847 384831632 /nfs/dbraw/zinc/83/16/32/384831632.db2.gz AELVAOLNJQGTMW-PBWFPOADSA-N 0 3 247.338 2.188 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000186490154 384845860 /nfs/dbraw/zinc/84/58/60/384845860.db2.gz MBTVDJNKLIJPRL-BLDJZWNYSA-N 0 3 235.327 2.370 20 10 BECDHN CC(C)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163979544 384888732 /nfs/dbraw/zinc/88/87/32/384888732.db2.gz CJZMVVDCONGZIY-GWCFXTLKSA-N 0 3 223.316 2.060 20 10 BECDHN CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297795003 384918122 /nfs/dbraw/zinc/91/81/22/384918122.db2.gz QDQSQZAQUZUTDX-ZKYQVNSYSA-N 0 3 249.354 2.376 20 10 BECDHN CC(C)[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168777836 385386947 /nfs/dbraw/zinc/38/69/47/385386947.db2.gz NJBVQGHAKUFJKF-RNCFNFMXSA-N 0 3 241.306 2.199 20 10 BECDHN CO[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000182426682 385444264 /nfs/dbraw/zinc/44/42/64/385444264.db2.gz HPMVCCNCJQWQST-UWVGGRQHSA-N 0 3 209.289 2.078 20 10 BECDHN Cc1c(C[NH2+][C@H](C)c2ccccc2[O-])cnn1C ZINC000179900461 385498029 /nfs/dbraw/zinc/49/80/29/385498029.db2.gz CYVWVLKEQVFONA-SNVBAGLBSA-N 0 3 245.326 2.285 20 10 BECDHN C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1[O-] ZINC000252811088 385661457 /nfs/dbraw/zinc/66/14/57/385661457.db2.gz GLTWUXBGGHVFQA-SRVKXCTJSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCCN1C)c1ccccc1[O-] ZINC000183448347 385762586 /nfs/dbraw/zinc/76/25/86/385762586.db2.gz ZZSJETRYQCZQGR-NEPJUHHUSA-N 0 3 234.343 2.137 20 10 BECDHN COc1cc([O-])c(C[N@H+](C)C(C)C)cc1OC ZINC000183468935 385763000 /nfs/dbraw/zinc/76/30/00/385763000.db2.gz VANLVOAZCNJKRP-UHFFFAOYSA-N 0 3 239.315 2.250 20 10 BECDHN COc1cc([O-])c(C[N@@H+](C)C(C)C)cc1OC ZINC000183468935 385763004 /nfs/dbraw/zinc/76/30/04/385763004.db2.gz VANLVOAZCNJKRP-UHFFFAOYSA-N 0 3 239.315 2.250 20 10 BECDHN CC[N@H+](CCCO)Cc1cc(C)c(C)cc1[O-] ZINC000271213228 385806531 /nfs/dbraw/zinc/80/65/31/385806531.db2.gz VQARAMWCAHTZQG-UHFFFAOYSA-N 0 3 237.343 2.213 20 10 BECDHN CC[N@@H+](CCCO)Cc1cc(C)c(C)cc1[O-] ZINC000271213228 385806533 /nfs/dbraw/zinc/80/65/33/385806533.db2.gz VQARAMWCAHTZQG-UHFFFAOYSA-N 0 3 237.343 2.213 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@@H](CO)C(C)(C)C ZINC000271246474 385810683 /nfs/dbraw/zinc/81/06/83/385810683.db2.gz CPQDUQZBXPTSBQ-ZDUSSCGKSA-N 0 3 237.343 2.231 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H](CO)C(C)(C)C ZINC000271246474 385810685 /nfs/dbraw/zinc/81/06/85/385810685.db2.gz CPQDUQZBXPTSBQ-ZDUSSCGKSA-N 0 3 237.343 2.231 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H](C)O)c([O-])c1 ZINC000283993281 385843004 /nfs/dbraw/zinc/84/30/04/385843004.db2.gz HLKMARQFVMYXQZ-GHMZBOCLSA-N 0 3 223.316 2.040 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H](C)O)c([O-])c1 ZINC000283993289 385844347 /nfs/dbraw/zinc/84/43/47/385844347.db2.gz HLKMARQFVMYXQZ-QWRGUYRKSA-N 0 3 223.316 2.040 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCC2(O)CCC2)c1 ZINC000283797498 385794378 /nfs/dbraw/zinc/79/43/78/385794378.db2.gz AAHMYCSBZVDVIF-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN CC[C@@H](C)N(C)CC[NH2+]Cc1ccccc1[O-] ZINC000217390293 385883226 /nfs/dbraw/zinc/88/32/26/385883226.db2.gz WRSZXYPVJDZHBH-GFCCVEGCSA-N 0 3 236.359 2.212 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CCO)c([O-])c1C ZINC000273359226 385992941 /nfs/dbraw/zinc/99/29/41/385992941.db2.gz ABQJCUFUPBTCAV-JQWIXIFHSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H](C)C2)c1 ZINC000219890775 385947682 /nfs/dbraw/zinc/94/76/82/385947682.db2.gz OVYCCUARHWDEED-WCQYABFASA-N 0 3 235.327 2.358 20 10 BECDHN CO[C@@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297155595 386227561 /nfs/dbraw/zinc/22/75/61/386227561.db2.gz COGUNQKTMZGUKH-JFGNBEQYSA-N 0 3 235.327 2.393 20 10 BECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000226612004 386344222 /nfs/dbraw/zinc/34/42/22/386344222.db2.gz SXSBTLLWVZXFJY-VHSXEESVSA-N 0 3 239.290 2.046 20 10 BECDHN CC[C@@H](CCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226616643 386345428 /nfs/dbraw/zinc/34/54/28/386345428.db2.gz XITLFYSAVKCSEN-JTQLQIEISA-N 0 3 241.306 2.030 20 10 BECDHN Cn1cccc1CNCc1ccc2c(c1)CCO2 ZINC000265634196 386355912 /nfs/dbraw/zinc/35/59/12/386355912.db2.gz FUJRQWSUMIILFI-UHFFFAOYSA-N 0 3 242.322 2.250 20 10 BECDHN Cc1cn[nH]c1CNCc1ccc(N(C)C)cc1 ZINC000289927051 386373122 /nfs/dbraw/zinc/37/31/22/386373122.db2.gz OVJOQXAJLYUCAU-UHFFFAOYSA-N 0 3 244.342 2.074 20 10 BECDHN CC(C)C[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586218 386336385 /nfs/dbraw/zinc/33/63/85/386336385.db2.gz YZRXYPQNVOACMV-LBPRGKRZSA-N 0 3 241.306 2.028 20 10 BECDHN CC[N@H+](CCOC)Cc1cc(C)c(C)cc1[O-] ZINC000299290728 386438063 /nfs/dbraw/zinc/43/80/63/386438063.db2.gz SZYLWLGMZMMKKP-UHFFFAOYSA-N 0 3 237.343 2.477 20 10 BECDHN CC[N@@H+](CCOC)Cc1cc(C)c(C)cc1[O-] ZINC000299290728 386438067 /nfs/dbraw/zinc/43/80/67/386438067.db2.gz SZYLWLGMZMMKKP-UHFFFAOYSA-N 0 3 237.343 2.477 20 10 BECDHN Cc1nc(CC[NH2+]Cc2ccccc2[O-])cs1 ZINC000227436700 386484779 /nfs/dbraw/zinc/48/47/79/386484779.db2.gz YESNMGSCSYRZKM-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN C[C@@H](O)CCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000228037931 386533982 /nfs/dbraw/zinc/53/39/82/386533982.db2.gz YLYDQAZEGDTDPW-ZJUUUORDSA-N 0 3 241.306 2.343 20 10 BECDHN Cc1cc(CN(C)C2(CO)CC2)ccc1N(C)C ZINC000293453543 386658430 /nfs/dbraw/zinc/65/84/30/386658430.db2.gz CRUKRCOYWCYUOW-UHFFFAOYSA-N 0 3 248.370 2.018 20 10 BECDHN Cc1nnsc1CN[C@H](C)c1ccccc1O ZINC000293262078 386790352 /nfs/dbraw/zinc/79/03/52/386790352.db2.gz CAAXFFFULVLQKB-MRVPVSSYSA-N 0 3 249.339 2.403 20 10 BECDHN COC[C@@H]1CCN1Cc1cc(C)c(C)cc1O ZINC000293629406 386853329 /nfs/dbraw/zinc/85/33/29/386853329.db2.gz LHMJSQFXERGEQP-ZDUSSCGKSA-N 0 3 235.327 2.230 20 10 BECDHN COC[C@@H]1CC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000293629406 386853335 /nfs/dbraw/zinc/85/33/35/386853335.db2.gz LHMJSQFXERGEQP-ZDUSSCGKSA-N 0 3 235.327 2.230 20 10 BECDHN COC[C@@H]1CC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000293629406 386853341 /nfs/dbraw/zinc/85/33/41/386853341.db2.gz LHMJSQFXERGEQP-ZDUSSCGKSA-N 0 3 235.327 2.230 20 10 BECDHN CO[C@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000191651246 387038595 /nfs/dbraw/zinc/03/85/95/387038595.db2.gz YLBPQGDIDJNASS-HBNTYKKESA-N 0 3 223.316 2.466 20 10 BECDHN CO[C@H](C)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000191694920 387051704 /nfs/dbraw/zinc/05/17/04/387051704.db2.gz SUQNFVOCVMDPEO-DTWKUNHWSA-N 0 3 227.279 2.044 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373328980 387357629 /nfs/dbraw/zinc/35/76/29/387357629.db2.gz SWBPLNNSFFBFEF-HNNXBMFYSA-N 0 3 247.338 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@](O)(C3CC3)C2)c1 ZINC000373328980 387357638 /nfs/dbraw/zinc/35/76/38/387357638.db2.gz SWBPLNNSFFBFEF-HNNXBMFYSA-N 0 3 247.338 2.047 20 10 BECDHN C[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1[O-] ZINC000286957056 387349080 /nfs/dbraw/zinc/34/90/80/387349080.db2.gz HTAVORJCBADDPB-LLVKDONJSA-N 0 3 233.311 2.390 20 10 BECDHN C[C@H]([NH2+]CC1=CCCOC1)c1ccccc1[O-] ZINC000286957057 387349177 /nfs/dbraw/zinc/34/91/77/387349177.db2.gz HTAVORJCBADDPB-NSHDSACASA-N 0 3 233.311 2.390 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC23CCOCC3)c1 ZINC000375730320 387575847 /nfs/dbraw/zinc/57/58/47/387575847.db2.gz IYRDXQYEMZPJEY-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC23CCOCC3)c1 ZINC000375730320 387575852 /nfs/dbraw/zinc/57/58/52/387575852.db2.gz IYRDXQYEMZPJEY-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000527803641 387726095 /nfs/dbraw/zinc/72/60/95/387726095.db2.gz HULHIWYVYBFMTK-DEKYYXRVSA-N 0 3 235.327 2.294 20 10 BECDHN CC(C)(CO)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295834977 388414899 /nfs/dbraw/zinc/41/48/99/388414899.db2.gz ADPRGDJHGCBURC-LBPRGKRZSA-N 0 3 249.354 2.378 20 10 BECDHN COC[C@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295996724 388417489 /nfs/dbraw/zinc/41/74/89/388417489.db2.gz OBXCSYSYYAJWLS-PWSUYJOCSA-N 0 3 235.327 2.252 20 10 BECDHN C[C@@H](CCO)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000297434893 388429849 /nfs/dbraw/zinc/42/98/49/388429849.db2.gz VOSKGAARNHSLQC-NEPJUHHUSA-N 0 3 237.343 2.451 20 10 BECDHN CO[C@H](C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000272892450 389035895 /nfs/dbraw/zinc/03/58/95/389035895.db2.gz SXWDMUXXIPAGKP-GHMZBOCLSA-N 0 3 223.316 2.468 20 10 BECDHN CC(C)[C@@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611744 167393644 /nfs/dbraw/zinc/39/36/44/167393644.db2.gz KPGLBSULRAJNER-GFCCVEGCSA-N 0 3 241.306 2.028 20 10 BECDHN CC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000226787004 168042357 /nfs/dbraw/zinc/04/23/57/168042357.db2.gz BPCJZVZWYDJOSQ-UHFFFAOYSA-N 0 3 249.310 2.401 20 10 BECDHN CCC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000190295083 168201171 /nfs/dbraw/zinc/20/11/71/168201171.db2.gz LHOCTCRQXDOITK-UHFFFAOYSA-N 0 3 221.300 2.193 20 10 BECDHN CCC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000190295083 168201173 /nfs/dbraw/zinc/20/11/73/168201173.db2.gz LHOCTCRQXDOITK-UHFFFAOYSA-N 0 3 221.300 2.193 20 10 BECDHN CCOCC[N@H+](CC)Cc1cc(F)ccc1[O-] ZINC000179997879 170396293 /nfs/dbraw/zinc/39/62/93/170396293.db2.gz NZIWQTRWUSGPJA-UHFFFAOYSA-N 0 3 241.306 2.390 20 10 BECDHN CCOCC[N@@H+](CC)Cc1cc(F)ccc1[O-] ZINC000179997879 170396295 /nfs/dbraw/zinc/39/62/95/170396295.db2.gz NZIWQTRWUSGPJA-UHFFFAOYSA-N 0 3 241.306 2.390 20 10 BECDHN CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@H]1O ZINC000271244474 171088258 /nfs/dbraw/zinc/08/82/58/171088258.db2.gz BUTKZVBYTHHKCH-IUODEOHRSA-N 0 3 249.354 2.212 20 10 BECDHN CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@H]1O ZINC000271244474 171088261 /nfs/dbraw/zinc/08/82/61/171088261.db2.gz BUTKZVBYTHHKCH-IUODEOHRSA-N 0 3 249.354 2.212 20 10 BECDHN COC1CC[NH+](Cc2cccc(C)c2[O-])CC1 ZINC000124522223 174030995 /nfs/dbraw/zinc/03/09/95/174030995.db2.gz PFPFKVVUFQOHGK-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN COCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020142333 174249077 /nfs/dbraw/zinc/24/90/77/174249077.db2.gz PBSHLJWOZFEAIP-JTQLQIEISA-N 0 3 209.289 2.079 20 10 BECDHN COCCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020142910 174250357 /nfs/dbraw/zinc/25/03/57/174250357.db2.gz KKBUCUXCWLPMDN-LLVKDONJSA-N 0 3 223.316 2.388 20 10 BECDHN COCCN(Cc1ccc(N(C)C)cc1)C1CC1 ZINC000298713344 174299009 /nfs/dbraw/zinc/29/90/09/174299009.db2.gz LGPJWXLNRZRVKF-UHFFFAOYSA-N 0 3 248.370 2.363 20 10 BECDHN COCC[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000019881677 174340365 /nfs/dbraw/zinc/34/03/65/174340365.db2.gz HKEFEGHTOQIHHR-MNOVXSKESA-N 0 3 235.327 2.485 20 10 BECDHN COC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000019904573 174552068 /nfs/dbraw/zinc/55/20/68/174552068.db2.gz RCIMZZPCEAFRNX-VHSXEESVSA-N 0 3 209.289 2.078 20 10 BECDHN COc1cc(Cl)cc(CNCCF)c1O ZINC000280806134 174989905 /nfs/dbraw/zinc/98/99/05/174989905.db2.gz SZMCPWQXTCYHLF-UHFFFAOYSA-N 0 3 233.670 2.113 20 10 BECDHN COc1cccc(CNCc2cccn2C)c1O ZINC000266604291 175265910 /nfs/dbraw/zinc/26/59/10/175265910.db2.gz OTOLGPBLQMWSHD-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H]1C ZINC000174963573 176173499 /nfs/dbraw/zinc/17/34/99/176173499.db2.gz NEUDUOIUDCEPGY-NXEZZACHSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@@H]1C ZINC000174963573 176173500 /nfs/dbraw/zinc/17/35/00/176173500.db2.gz NEUDUOIUDCEPGY-NXEZZACHSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]([NH2+]CC[C@H](C)CCO)c1ccccc1[O-] ZINC000297434898 176630625 /nfs/dbraw/zinc/63/06/25/176630625.db2.gz VOSKGAARNHSLQC-NWDGAFQWSA-N 0 3 237.343 2.451 20 10 BECDHN C[C@H](NCCF)c1ccc(N(C)C)cc1 ZINC000275043962 176846967 /nfs/dbraw/zinc/84/69/67/176846967.db2.gz YMOPSKAIZDEGTI-JTQLQIEISA-N 0 3 210.296 2.373 20 10 BECDHN CCC[N@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000891577624 582697842 /nfs/dbraw/zinc/69/78/42/582697842.db2.gz DHLNHKHRMJYQSH-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN CCC[N@@H+](C)Cc1ccc(OC)c(OC)c1[O-] ZINC000891577624 582697843 /nfs/dbraw/zinc/69/78/43/582697843.db2.gz DHLNHKHRMJYQSH-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN CN(CCO)Cc1ccc(N2CCCCC2)cc1 ZINC000267157737 536392342 /nfs/dbraw/zinc/39/23/42/536392342.db2.gz PDYDAEOSHBKTKR-UHFFFAOYSA-N 0 3 248.370 2.101 20 10 BECDHN Cc1noc(C)c1CNCc1ccccc1O ZINC000112017530 588780345 /nfs/dbraw/zinc/78/03/45/588780345.db2.gz CVDGDEUDURFBRH-UHFFFAOYSA-N 0 3 232.283 2.287 20 10 BECDHN CC[C@@H]([NH2+][C@H](C)CNC)c1ccc(F)cc1[O-] ZINC000854232807 588781578 /nfs/dbraw/zinc/78/15/78/588781578.db2.gz UUOAHQMGJLLVSJ-BXKDBHETSA-N 0 3 240.322 2.180 20 10 BECDHN CC[C@@H](N[C@H](C)C[NH2+]C)c1ccc(F)cc1[O-] ZINC000854232807 588781579 /nfs/dbraw/zinc/78/15/79/588781579.db2.gz UUOAHQMGJLLVSJ-BXKDBHETSA-N 0 3 240.322 2.180 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000857060525 588884502 /nfs/dbraw/zinc/88/45/02/588884502.db2.gz ASTGYYBLIJAXSN-RISCZKNCSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000857060525 588884504 /nfs/dbraw/zinc/88/45/04/588884504.db2.gz ASTGYYBLIJAXSN-RISCZKNCSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000840979787 583214527 /nfs/dbraw/zinc/21/45/27/583214527.db2.gz URXWDUIMWHCAOK-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1 ZINC000840979787 583214530 /nfs/dbraw/zinc/21/45/30/583214530.db2.gz URXWDUIMWHCAOK-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000840979779 583214819 /nfs/dbraw/zinc/21/48/19/583214819.db2.gz URXWDUIMWHCAOK-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1 ZINC000840979779 583214820 /nfs/dbraw/zinc/21/48/20/583214820.db2.gz URXWDUIMWHCAOK-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H]1CCCOC1 ZINC000877515778 583321746 /nfs/dbraw/zinc/32/17/46/583321746.db2.gz OXKLHKDKPWUWLN-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)[C@H]1CCCOC1 ZINC000877515778 583321749 /nfs/dbraw/zinc/32/17/49/583321749.db2.gz OXKLHKDKPWUWLN-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN COc1cc(C)cc(C[NH2+]C[C@H]2C[C@@H]2C)c1[O-] ZINC000894175551 583326495 /nfs/dbraw/zinc/32/64/95/583326495.db2.gz IXXONWGOSLKDLF-WDEREUQCSA-N 0 3 235.327 2.455 20 10 BECDHN C/C=C\C[C@@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000894481330 583470506 /nfs/dbraw/zinc/47/05/06/583470506.db2.gz WRLLSJMTPHVVPD-MVZIDQBPSA-N 0 3 235.327 2.117 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779423 583726546 /nfs/dbraw/zinc/72/65/46/583726546.db2.gz OLIZOSOWHUVTIQ-BETUJISGSA-N 0 3 249.379 2.495 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1 ZINC000895779423 583726548 /nfs/dbraw/zinc/72/65/48/583726548.db2.gz OLIZOSOWHUVTIQ-BETUJISGSA-N 0 3 249.379 2.495 20 10 BECDHN CCO[C@@]1(C)C[C@H]1NCc1ccc(N(C)C)cc1 ZINC000858257706 588940860 /nfs/dbraw/zinc/94/08/60/588940860.db2.gz SRYFCDBKQIJHFT-CABCVRRESA-N 0 3 248.370 2.410 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC1(C2(O)CCC2)CC1 ZINC000897530605 584007698 /nfs/dbraw/zinc/00/76/98/584007698.db2.gz MNDVNHILLQAMIO-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CC[C@@H](O)C2CC2)cc1C ZINC000898202503 584089864 /nfs/dbraw/zinc/08/98/64/584089864.db2.gz JBCQNQMRBYHNLF-CQSZACIVSA-N 0 3 249.354 2.260 20 10 BECDHN Cc1ncccc1CC[NH2+]Cc1ccccc1[O-] ZINC000898257062 584106752 /nfs/dbraw/zinc/10/67/52/584106752.db2.gz NHHZLQSUNSNWIJ-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)c([O-])c1 ZINC000898377437 584113692 /nfs/dbraw/zinc/11/36/92/584113692.db2.gz VABUBLBMUOUCTF-ZIAGYGMSSA-N 0 3 247.338 2.215 20 10 BECDHN CC[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[O-] ZINC000902478027 584603252 /nfs/dbraw/zinc/60/32/52/584603252.db2.gz WFUHNYVHZXCHPE-VZZFWQQMSA-N 0 3 246.354 2.326 20 10 BECDHN Cc1ccc([C@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c([O-])c1 ZINC000902469896 584616192 /nfs/dbraw/zinc/61/61/92/584616192.db2.gz SJXZRWSFWVZKRA-CDGCEXEKSA-N 0 3 246.354 2.244 20 10 BECDHN Cc1cccc(C[NH2+][C@H](CN)C2CCCC2)c1[O-] ZINC000841087092 584884004 /nfs/dbraw/zinc/88/40/04/584884004.db2.gz MQCZKQCZZBMASK-CQSZACIVSA-N 0 3 248.370 2.308 20 10 BECDHN CCC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877026530 584888926 /nfs/dbraw/zinc/88/89/26/584888926.db2.gz BXEICXLLFNNMIM-CQSZACIVSA-N 0 3 237.343 2.341 20 10 BECDHN C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978081 584994568 /nfs/dbraw/zinc/99/45/68/584994568.db2.gz VOSUFHRKNHQNNO-PRJMDXOYSA-N 0 3 244.285 2.057 20 10 BECDHN C[C@@H]([NH3+])[C@@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978081 584994569 /nfs/dbraw/zinc/99/45/69/584994569.db2.gz VOSUFHRKNHQNNO-PRJMDXOYSA-N 0 3 244.285 2.057 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)cc(F)c1[O-])[C@H](C)N ZINC000817978082 584994782 /nfs/dbraw/zinc/99/47/82/584994782.db2.gz VOSUFHRKNHQNNO-RNJXMRFFSA-N 0 3 244.285 2.057 20 10 BECDHN C[C@@H](N[C@@H](C)c1cc(F)cc(F)c1[O-])[C@H](C)[NH3+] ZINC000817978082 584994783 /nfs/dbraw/zinc/99/47/83/584994783.db2.gz VOSUFHRKNHQNNO-RNJXMRFFSA-N 0 3 244.285 2.057 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1CC1 ZINC000838859550 585075705 /nfs/dbraw/zinc/07/57/05/585075705.db2.gz LGYFXMALWDPYCG-OAHLLOKOSA-N 0 3 249.354 2.375 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1CC1 ZINC000838859550 585075706 /nfs/dbraw/zinc/07/57/06/585075706.db2.gz LGYFXMALWDPYCG-OAHLLOKOSA-N 0 3 249.354 2.375 20 10 BECDHN COCC1(C)CN(Cc2ccc(N(C)C)cc2)C1 ZINC000839145991 585092410 /nfs/dbraw/zinc/09/24/10/585092410.db2.gz ZLCGPXITQOVXCP-UHFFFAOYSA-N 0 3 248.370 2.221 20 10 BECDHN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000839193004 585097727 /nfs/dbraw/zinc/09/77/27/585097727.db2.gz VPJSSOMADFBHHC-OCCSQVGLSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@](C)(O)C2CC2)cc1C ZINC000742370882 585124992 /nfs/dbraw/zinc/12/49/92/585124992.db2.gz TWKANDYDQARLHP-HNNXBMFYSA-N 0 3 249.354 2.260 20 10 BECDHN CC[C@](C)(O)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000742370037 585125022 /nfs/dbraw/zinc/12/50/22/585125022.db2.gz OCWZKUHLPPCUTG-AWEZNQCLSA-N 0 3 237.343 2.260 20 10 BECDHN CC[C@@H](C[C@H](C)CO)[NH2+]Cc1ccccc1[O-] ZINC000743499124 585137429 /nfs/dbraw/zinc/13/74/29/585137429.db2.gz HUEMBKMYGDKZLC-AAEUAGOBSA-N 0 3 237.343 2.279 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC1(CCO)CCCC1 ZINC000744449400 585150366 /nfs/dbraw/zinc/15/03/66/585150366.db2.gz VWAVOWDVSCARQW-UHFFFAOYSA-N 0 3 249.354 2.425 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]CCCO)c2c1c(F)ccc2[O-] ZINC000756343767 585318078 /nfs/dbraw/zinc/31/80/78/585318078.db2.gz OAZRDTWGBBNGHZ-SCZZXKLOSA-N 0 3 239.290 2.052 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCOC2)c([O-])c1C ZINC000756769823 585322964 /nfs/dbraw/zinc/32/29/64/585322964.db2.gz QYFFECQQWGJNQT-RYUDHWBXSA-N 0 3 235.327 2.449 20 10 BECDHN C[C@@H](O)C[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756780826 585323046 /nfs/dbraw/zinc/32/30/46/585323046.db2.gz VQRTZBFJSCXPPW-QXFUBDJGSA-N 0 3 239.290 2.050 20 10 BECDHN CCC[N@H+](C)Cc1c([O-])cccc1OC ZINC000768244354 585534750 /nfs/dbraw/zinc/53/47/50/585534750.db2.gz ISLGEYIFUSIXPQ-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN CCC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000768244354 585534751 /nfs/dbraw/zinc/53/47/51/585534751.db2.gz ISLGEYIFUSIXPQ-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN Cc1cc(CNCc2cccc(C)c2O)ncn1 ZINC000776252261 585694010 /nfs/dbraw/zinc/69/40/10/585694010.db2.gz AILHBRLEUNLTPB-UHFFFAOYSA-N 0 3 243.310 2.089 20 10 BECDHN C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccccc1[O-] ZINC000777824412 585720727 /nfs/dbraw/zinc/72/07/27/585720727.db2.gz FBQVPOFHWAVVHU-OCCSQVGLSA-N 0 3 248.370 2.164 20 10 BECDHN C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccccc1[O-] ZINC000777824412 585720728 /nfs/dbraw/zinc/72/07/28/585720728.db2.gz FBQVPOFHWAVVHU-OCCSQVGLSA-N 0 3 248.370 2.164 20 10 BECDHN COc1cc(C)cc(CN2CC=CCC2)c1O ZINC000778576459 585737393 /nfs/dbraw/zinc/73/73/93/585737393.db2.gz HAJPMVSAXCDKSC-UHFFFAOYSA-N 0 3 233.311 2.471 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2CCO)c1[O-] ZINC000779201353 585746947 /nfs/dbraw/zinc/74/69/47/585746947.db2.gz DSNVDCPLPBLVRP-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@H]2CCO)c1[O-] ZINC000779201353 585746948 /nfs/dbraw/zinc/74/69/48/585746948.db2.gz DSNVDCPLPBLVRP-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CCO)c1 ZINC000779202655 585747226 /nfs/dbraw/zinc/74/72/26/585747226.db2.gz RWCRBQZNWFSODB-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CCO)c1 ZINC000779202655 585747227 /nfs/dbraw/zinc/74/72/27/585747227.db2.gz RWCRBQZNWFSODB-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@@]1(O)CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000779219015 585747503 /nfs/dbraw/zinc/74/75/03/585747503.db2.gz KQFDLCXXEITWFC-OAHLLOKOSA-N 0 3 249.354 2.356 20 10 BECDHN CC[C@@]1(O)CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000779219015 585747504 /nfs/dbraw/zinc/74/75/04/585747504.db2.gz KQFDLCXXEITWFC-OAHLLOKOSA-N 0 3 249.354 2.356 20 10 BECDHN CC[C@]1(O)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000779215549 585747509 /nfs/dbraw/zinc/74/75/09/585747509.db2.gz BMKXHOUUADVIJV-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@]1(O)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000779215549 585747510 /nfs/dbraw/zinc/74/75/10/585747510.db2.gz BMKXHOUUADVIJV-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](OC(F)F)C1 ZINC000802658520 586308814 /nfs/dbraw/zinc/30/88/14/586308814.db2.gz HLACYQCTCJZUOZ-JTQLQIEISA-N 0 3 243.253 2.206 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](OC(F)F)C1 ZINC000802658520 586308815 /nfs/dbraw/zinc/30/88/15/586308815.db2.gz HLACYQCTCJZUOZ-JTQLQIEISA-N 0 3 243.253 2.206 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCN(C)C2)c([O-])c1 ZINC000815576339 586688352 /nfs/dbraw/zinc/68/83/52/586688352.db2.gz OPPWEODVHOIXRY-OLZOCXBDSA-N 0 3 248.370 2.364 20 10 BECDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC000816647259 586749183 /nfs/dbraw/zinc/74/91/83/586749183.db2.gz QEBWYIIJBDHMDV-IUCAKERBSA-N 0 3 209.264 2.372 20 10 BECDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1C ZINC000816647259 586749185 /nfs/dbraw/zinc/74/91/85/586749185.db2.gz QEBWYIIJBDHMDV-IUCAKERBSA-N 0 3 209.264 2.372 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1 ZINC000817412092 586801947 /nfs/dbraw/zinc/80/19/47/586801947.db2.gz CUOVPQMIPAVMDU-QWHCGFSZSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1 ZINC000817412092 586801948 /nfs/dbraw/zinc/80/19/48/586801948.db2.gz CUOVPQMIPAVMDU-QWHCGFSZSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c1[O-] ZINC000817415586 586802719 /nfs/dbraw/zinc/80/27/19/586802719.db2.gz ZIFIEMRWYIHFGJ-DGCLKSJQSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1[O-] ZINC000817415586 586802722 /nfs/dbraw/zinc/80/27/22/586802722.db2.gz ZIFIEMRWYIHFGJ-DGCLKSJQSA-N 0 3 235.327 2.046 20 10 BECDHN CC[C@@H]([NH2+]CCN)c1cc(Cl)ccc1[O-] ZINC000817934029 586842810 /nfs/dbraw/zinc/84/28/10/586842810.db2.gz ADKPSVLWWUBTCD-SNVBAGLBSA-N 0 3 228.723 2.045 20 10 BECDHN C[C@@H]([NH2+]CCN)c1cc(Cl)c(Cl)cc1[O-] ZINC000817936015 586844184 /nfs/dbraw/zinc/84/41/84/586844184.db2.gz LPTYWHDHVWFPEM-ZCFIWIBFSA-N 0 3 249.141 2.308 20 10 BECDHN C[C@@H](NCC[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000817936015 586844185 /nfs/dbraw/zinc/84/41/85/586844185.db2.gz LPTYWHDHVWFPEM-ZCFIWIBFSA-N 0 3 249.141 2.308 20 10 BECDHN CC[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(C)cc1[O-] ZINC000817945037 586845888 /nfs/dbraw/zinc/84/58/88/586845888.db2.gz RVYUTJFDYLLQFH-WCQYABFASA-N 0 3 234.343 2.103 20 10 BECDHN Cc1ccc([C@@H](C)NC[C@@H]2CCC[NH2+]2)c([O-])c1 ZINC000817951448 586847565 /nfs/dbraw/zinc/84/75/65/586847565.db2.gz FVMJWSVXOIDAEW-NEPJUHHUSA-N 0 3 234.343 2.103 20 10 BECDHN Cc1ccc([C@H](C)NC[C@@H]2CCC[NH2+]2)c([O-])c1 ZINC000817951450 586848099 /nfs/dbraw/zinc/84/80/99/586848099.db2.gz FVMJWSVXOIDAEW-RYUDHWBXSA-N 0 3 234.343 2.103 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](N)C(C)C)c1ccccc1[O-] ZINC000817960177 586851457 /nfs/dbraw/zinc/85/14/57/586851457.db2.gz XZDCMESMHJHXHC-OLZOCXBDSA-N 0 3 236.359 2.416 20 10 BECDHN CC(C)C[C@@H](CN)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817960183 586851516 /nfs/dbraw/zinc/85/15/16/586851516.db2.gz YACWCRCXHKCWKZ-QWHCGFSZSA-N 0 3 248.370 2.343 20 10 BECDHN CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000817960124 586851625 /nfs/dbraw/zinc/85/16/25/586851625.db2.gz XOJFIKRUEDASRI-RYUDHWBXSA-N 0 3 236.359 2.416 20 10 BECDHN CC(C)[C@@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817958798 586852113 /nfs/dbraw/zinc/85/21/13/586852113.db2.gz MOSQDZNMHZCKBO-CABZTGNLSA-N 0 3 240.322 2.165 20 10 BECDHN CC(C)[C@@H]([NH3+])CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000817958798 586852115 /nfs/dbraw/zinc/85/21/15/586852115.db2.gz MOSQDZNMHZCKBO-CABZTGNLSA-N 0 3 240.322 2.165 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C)cc1[O-] ZINC000817965683 586854976 /nfs/dbraw/zinc/85/49/76/586854976.db2.gz TUIOACTZTMHENG-UONOGXRCSA-N 0 3 248.370 2.479 20 10 BECDHN CC[C@@H]([NH2+][C@H](C)CN)c1cc(Cl)ccc1[O-] ZINC000817965733 586855427 /nfs/dbraw/zinc/85/54/27/586855427.db2.gz BXHMUWZUSWTMIF-LDYMZIIASA-N 0 3 242.750 2.434 20 10 BECDHN CC[C@H]([NH2+][C@H]1CCNC[C@H]1C)c1ccccc1[O-] ZINC000817970857 586857211 /nfs/dbraw/zinc/85/72/11/586857211.db2.gz GGXBWYUZZDXXCN-XBFCOCLRSA-N 0 3 248.370 2.431 20 10 BECDHN C[C@@H](CN)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817970343 586858222 /nfs/dbraw/zinc/85/82/22/586858222.db2.gz RPXGPSQDJMQBPL-OYNCUSHFSA-N 0 3 238.306 2.016 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@@H](C)N)c1[O-] ZINC000817973582 586859078 /nfs/dbraw/zinc/85/90/78/586859078.db2.gz VIWKZRKYGRJLAF-RKDXNWHRSA-N 0 3 242.750 2.352 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]C[C@H](C)N)c1[O-] ZINC000817973580 586860438 /nfs/dbraw/zinc/86/04/38/586860438.db2.gz VIWKZRKYGRJLAF-DTWKUNHWSA-N 0 3 242.750 2.352 20 10 BECDHN C[C@@H](N)C[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000817973780 586860544 /nfs/dbraw/zinc/86/05/44/586860544.db2.gz WKBDIIUTHBQAAD-HTQZYQBOSA-N 0 3 228.723 2.043 20 10 BECDHN C[C@@H]([NH3+])CN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000817973780 586860546 /nfs/dbraw/zinc/86/05/46/586860546.db2.gz WKBDIIUTHBQAAD-HTQZYQBOSA-N 0 3 228.723 2.043 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccccc1[O-] ZINC000817978076 586861319 /nfs/dbraw/zinc/86/13/19/586861319.db2.gz VJHRNLROELEVHC-NHCYSSNCSA-N 0 3 222.332 2.169 20 10 BECDHN CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccc(C)cc1[O-] ZINC000817977335 586861505 /nfs/dbraw/zinc/86/15/05/586861505.db2.gz HXJLXUBPBDUAIV-WZRBSPASSA-N 0 3 236.359 2.477 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)[C@@H](C)N)c1ccc(C)cc1[O-] ZINC000817977334 586861759 /nfs/dbraw/zinc/86/17/59/586861759.db2.gz HXJLXUBPBDUAIV-MDZLAQPJSA-N 0 3 236.359 2.477 20 10 BECDHN CCOc1ccc(C[NH2+][C@H]2CC23CC3)c([O-])c1 ZINC000818230600 586880652 /nfs/dbraw/zinc/88/06/52/586880652.db2.gz PTSJZTXQLGGPEA-ZDUSSCGKSA-N 0 3 233.311 2.433 20 10 BECDHN CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000824815757 587288692 /nfs/dbraw/zinc/28/86/92/587288692.db2.gz YURFCAQSTNNFKR-BXUZGUMPSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000824815757 587288693 /nfs/dbraw/zinc/28/86/93/587288693.db2.gz YURFCAQSTNNFKR-BXUZGUMPSA-N 0 3 235.327 2.249 20 10 BECDHN CC[C@H]1CN(CC)CC[N@@H+]1Cc1ccccc1[O-] ZINC000825006162 587298287 /nfs/dbraw/zinc/29/82/87/587298287.db2.gz YTKRNABPUHRRQS-AWEZNQCLSA-N 0 3 248.370 2.308 20 10 BECDHN CC[C@H]1CN(CC)CC[N@H+]1Cc1ccccc1[O-] ZINC000825006162 587298288 /nfs/dbraw/zinc/29/82/88/587298288.db2.gz YTKRNABPUHRRQS-AWEZNQCLSA-N 0 3 248.370 2.308 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134173 587306122 /nfs/dbraw/zinc/30/61/22/587306122.db2.gz WLANGSMTKNIBEM-OAHLLOKOSA-N 0 3 247.338 2.395 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000825134173 587306124 /nfs/dbraw/zinc/30/61/24/587306124.db2.gz WLANGSMTKNIBEM-OAHLLOKOSA-N 0 3 247.338 2.395 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CCCO)C2)c1 ZINC000825338845 587316115 /nfs/dbraw/zinc/31/61/15/587316115.db2.gz VLPZQNQZQIRTNE-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CCCO)C2)c1 ZINC000825338845 587316117 /nfs/dbraw/zinc/31/61/17/587316117.db2.gz VLPZQNQZQIRTNE-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000827285246 587375119 /nfs/dbraw/zinc/37/51/19/587375119.db2.gz YZAQCAOSWVFUNR-DZGCQCFKSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1 ZINC000827285246 587375120 /nfs/dbraw/zinc/37/51/20/587375120.db2.gz YZAQCAOSWVFUNR-DZGCQCFKSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c1[O-] ZINC000827282431 587375342 /nfs/dbraw/zinc/37/53/42/587375342.db2.gz MJHFVTPGBCOGSZ-DZGCQCFKSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c1[O-] ZINC000827282431 587375343 /nfs/dbraw/zinc/37/53/43/587375343.db2.gz MJHFVTPGBCOGSZ-DZGCQCFKSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[N@@H+](C)C2(CO)CCC2)c1[O-] ZINC000827903410 587408923 /nfs/dbraw/zinc/40/89/23/587408923.db2.gz GZDQMONARPPSFP-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+](C)C2(CO)CCC2)c1[O-] ZINC000827903410 587408924 /nfs/dbraw/zinc/40/89/24/587408924.db2.gz GZDQMONARPPSFP-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN COc1cccc([O-])c1C[NH+]1CCCCC1 ZINC000001603600 587697163 /nfs/dbraw/zinc/69/71/63/587697163.db2.gz KRSZZMRKDIHKHH-UHFFFAOYSA-N 0 3 221.300 2.387 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CCO)C1CC1)CC2 ZINC000834669393 587763508 /nfs/dbraw/zinc/76/35/08/587763508.db2.gz XLXVZEFNGIMUPR-OLZOCXBDSA-N 0 3 247.338 2.130 20 10 BECDHN CO[C@@H](C)CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835049996 587779498 /nfs/dbraw/zinc/77/94/98/587779498.db2.gz LGDBHXVFWMKOND-GFUIURDCSA-N 0 3 248.370 2.390 20 10 BECDHN CCC1C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC000835073686 587779854 /nfs/dbraw/zinc/77/98/54/587779854.db2.gz DPOLVCYMROMMMV-UHFFFAOYSA-N 0 3 209.264 2.373 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@H](CO)[C@H]2C)c1[O-] ZINC000840977810 587933091 /nfs/dbraw/zinc/93/30/91/587933091.db2.gz KBBHAFVJGTXXJZ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@H]2C)c1[O-] ZINC000840977810 587933093 /nfs/dbraw/zinc/93/30/93/587933093.db2.gz KBBHAFVJGTXXJZ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN COC1([C@H](C)[NH2+]Cc2ccccc2[O-])CCC1 ZINC000840969543 587933348 /nfs/dbraw/zinc/93/33/48/587933348.db2.gz HVEXUJFROIIJED-NSHDSACASA-N 0 3 235.327 2.439 20 10 BECDHN NCCC[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000841006417 587934887 /nfs/dbraw/zinc/93/48/87/587934887.db2.gz KHIWYSWNLSVIJB-UHFFFAOYSA-N 0 3 248.370 2.486 20 10 BECDHN NCCC[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000841006417 587934889 /nfs/dbraw/zinc/93/48/89/587934889.db2.gz KHIWYSWNLSVIJB-UHFFFAOYSA-N 0 3 248.370 2.486 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CN)CC(C)C)c1 ZINC000841037921 587937692 /nfs/dbraw/zinc/93/76/92/587937692.db2.gz CWJCNYSNBYNMCN-CYBMUJFWSA-N 0 3 236.359 2.164 20 10 BECDHN C[C@H](C[NH3+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841060160 587941814 /nfs/dbraw/zinc/94/18/14/587941814.db2.gz RNNALCYEQYJBHA-ZCFIWIBFSA-N 0 3 249.141 2.136 20 10 BECDHN C[C@@H]([NH3+])[C@H](C)NCc1c([O-])ccc(Cl)c1F ZINC000841076625 587943570 /nfs/dbraw/zinc/94/35/70/587943570.db2.gz KIKLMZPLUAYGCA-RQJHMYQMSA-N 0 3 246.713 2.010 20 10 BECDHN C[C@@H](N)[C@H](C)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841076625 587943572 /nfs/dbraw/zinc/94/35/72/587943572.db2.gz KIKLMZPLUAYGCA-RQJHMYQMSA-N 0 3 246.713 2.010 20 10 BECDHN C[C@@H](NCc1cc(Cl)cc(F)c1[O-])[C@H](C)[NH3+] ZINC000841076591 587944426 /nfs/dbraw/zinc/94/44/26/587944426.db2.gz JORFGIJWBWDGDR-NKWVEPMBSA-N 0 3 246.713 2.010 20 10 BECDHN CC[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccccc1[O-] ZINC000841758359 587974321 /nfs/dbraw/zinc/97/43/21/587974321.db2.gz GRHKCJMBVMTALY-QKCSRTOESA-N 0 3 235.327 2.346 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCOC[C@@H]1C1CCC1 ZINC000843428835 588108540 /nfs/dbraw/zinc/10/85/40/588108540.db2.gz NQYDNAKTJLPDSX-CQSZACIVSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCOC[C@@H]1C1CCC1 ZINC000843428835 588108541 /nfs/dbraw/zinc/10/85/41/588108541.db2.gz NQYDNAKTJLPDSX-CQSZACIVSA-N 0 3 247.338 2.393 20 10 BECDHN COc1cccc([C@H](C)[NH2+]C2CC2)c1[O-] ZINC000846139215 588258450 /nfs/dbraw/zinc/25/84/50/588258450.db2.gz XRNZZXKLTKJUTK-QMMMGPOBSA-N 0 3 207.273 2.214 20 10 BECDHN COc1cccc([C@H](C)NCCF)c1O ZINC000846169308 588258965 /nfs/dbraw/zinc/25/89/65/588258965.db2.gz ZUCMKUNEYQYEOU-QMMMGPOBSA-N 0 3 213.252 2.021 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)CCF)c([O-])c1 ZINC000846209427 588260069 /nfs/dbraw/zinc/26/00/69/588260069.db2.gz QRXRFNPDEYNIRI-QWRGUYRKSA-N 0 3 241.306 2.072 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1[O-] ZINC000848876719 588416392 /nfs/dbraw/zinc/41/63/92/588416392.db2.gz KMESCJGJKNPLMD-GFCCVEGCSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1[O-] ZINC000848876719 588416393 /nfs/dbraw/zinc/41/63/93/588416393.db2.gz KMESCJGJKNPLMD-GFCCVEGCSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000848902072 588418559 /nfs/dbraw/zinc/41/85/59/588418559.db2.gz JJWYVDBZCRCJIK-WCQYABFASA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000848902072 588418560 /nfs/dbraw/zinc/41/85/60/588418560.db2.gz JJWYVDBZCRCJIK-WCQYABFASA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000848906658 588419568 /nfs/dbraw/zinc/41/95/68/588419568.db2.gz XPZRJKIQQGQSCZ-BXUZGUMPSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c1[O-] ZINC000848906658 588419570 /nfs/dbraw/zinc/41/95/70/588419570.db2.gz XPZRJKIQQGQSCZ-BXUZGUMPSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@H](O)C[C@H](C)C2)c1[O-] ZINC000848915750 588419796 /nfs/dbraw/zinc/41/97/96/588419796.db2.gz ZSNSYWOAXJGOBA-SMDDNHRTSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H](C)C2)c1[O-] ZINC000848915750 588419798 /nfs/dbraw/zinc/41/97/98/588419798.db2.gz ZSNSYWOAXJGOBA-SMDDNHRTSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)[C@H](CC)CO)c1[O-] ZINC000848914663 588420091 /nfs/dbraw/zinc/42/00/91/588420091.db2.gz QQQHWNSZAOEDIN-CYBMUJFWSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@H+](C)[C@H](CC)CO)c1[O-] ZINC000848914663 588420092 /nfs/dbraw/zinc/42/00/92/588420092.db2.gz QQQHWNSZAOEDIN-CYBMUJFWSA-N 0 3 237.343 2.157 20 10 BECDHN [O-]c1cc2c(cc1C[NH2+][C@H]1[C@@H]3CCC[C@@H]31)OCO2 ZINC000850394033 588543780 /nfs/dbraw/zinc/54/37/80/588543780.db2.gz ZISRSAHQVTXFLT-MSRIBSCDSA-N 0 3 247.294 2.009 20 10 BECDHN CC[C@H](NC/C=C\CO)c1ccc(N(C)C)cc1 ZINC000850506789 588553189 /nfs/dbraw/zinc/55/31/89/588553189.db2.gz BXGAEYSOJQYAHD-YVACAVLKSA-N 0 3 248.370 2.342 20 10 BECDHN CC[C@@H](NC/C=C/CO)c1ccc(N(C)C)cc1 ZINC000850506787 588553272 /nfs/dbraw/zinc/55/32/72/588553272.db2.gz BXGAEYSOJQYAHD-LLYBFZRZSA-N 0 3 248.370 2.342 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]C/C=C/CO)c([O-])c1 ZINC000850509080 588554578 /nfs/dbraw/zinc/55/45/78/588554578.db2.gz PBWLYZFYZJOKFS-ITKZLYELSA-N 0 3 235.327 2.208 20 10 BECDHN C[C@H]([NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccccc1[O-] ZINC000850546070 588559322 /nfs/dbraw/zinc/55/93/22/588559322.db2.gz JUYGTWNDJKCTLG-LEWSCRJBSA-N 0 3 247.338 2.346 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c([O-])c1 ZINC000850579074 588561850 /nfs/dbraw/zinc/56/18/50/588561850.db2.gz SJCCEBCQBHUXFJ-IJLUTSLNSA-N 0 3 235.327 2.183 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862443775 589213769 /nfs/dbraw/zinc/21/37/69/589213769.db2.gz TZYAHHYCDRNPON-TXEJJXNPSA-N 0 3 203.285 2.152 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862443775 589213770 /nfs/dbraw/zinc/21/37/70/589213770.db2.gz TZYAHHYCDRNPON-TXEJJXNPSA-N 0 3 203.285 2.152 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862443802 589214010 /nfs/dbraw/zinc/21/40/10/589214010.db2.gz UPCZAYKSAFLWFM-BETUJISGSA-N 0 3 217.312 2.406 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862443802 589214012 /nfs/dbraw/zinc/21/40/12/589214012.db2.gz UPCZAYKSAFLWFM-BETUJISGSA-N 0 3 217.312 2.406 20 10 BECDHN CC[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1[O-] ZINC000863546800 589297823 /nfs/dbraw/zinc/29/78/23/589297823.db2.gz MMIMAGVAJOTWFN-WCFLWFBJSA-N 0 3 234.343 2.183 20 10 BECDHN CC[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1[O-] ZINC000863546798 589297979 /nfs/dbraw/zinc/29/79/79/589297979.db2.gz MMIMAGVAJOTWFN-CYZMBNFOSA-N 0 3 234.343 2.183 20 10 BECDHN Cc1cc([O-])c(CN(C)C[C@@H](C)[NH3+])c(Cl)c1 ZINC000863652526 589307619 /nfs/dbraw/zinc/30/76/19/589307619.db2.gz UCYWWGPGYZQAQF-SECBINFHSA-N 0 3 242.750 2.133 20 10 BECDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCC1 ZINC000119654110 589321726 /nfs/dbraw/zinc/32/17/26/589321726.db2.gz OWROGKJPCASIJZ-VIFPVBQESA-N 0 3 249.310 2.399 20 10 BECDHN C[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CCC1 ZINC000119654274 589321876 /nfs/dbraw/zinc/32/18/76/589321876.db2.gz OWROGKJPCASIJZ-SECBINFHSA-N 0 3 249.310 2.399 20 10 BECDHN CC1(C)CC[C@@H](O)[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000865700131 589457570 /nfs/dbraw/zinc/45/75/70/589457570.db2.gz UZSQDXQXRDEWLO-TZMCWYRMSA-N 0 3 249.354 2.421 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC[C@@H](O)C1CCCC1 ZINC000865874816 589466865 /nfs/dbraw/zinc/46/68/65/589466865.db2.gz JGEPYALPGSHYKD-OAHLLOKOSA-N 0 3 249.354 2.423 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)CO)c([O-])c1 ZINC000122021718 589550106 /nfs/dbraw/zinc/55/01/06/589550106.db2.gz YHWGWBLWFRHSBO-LLVKDONJSA-N 0 3 237.343 2.370 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c([O-])c1C ZINC000872125643 589876191 /nfs/dbraw/zinc/87/61/91/589876191.db2.gz DQRSTXFVAHNYIC-AVGNSLFASA-N 0 3 249.354 2.431 20 10 BECDHN COC[C@@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019904833 590040771 /nfs/dbraw/zinc/04/07/71/590040771.db2.gz KCAXRGHWDRRXJE-ZJUUUORDSA-N 0 3 239.315 2.086 20 10 BECDHN COC[C@@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020087567 590071847 /nfs/dbraw/zinc/07/18/47/590071847.db2.gz QWPWURZKIMWJEA-GHMZBOCLSA-N 0 3 223.316 2.386 20 10 BECDHN COC[C@H]([NH2+]Cc1cccc(C)c1[O-])C(C)C ZINC000124825569 590091319 /nfs/dbraw/zinc/09/13/19/590091319.db2.gz SIIIFMHHHVGYEC-ZDUSSCGKSA-N 0 3 237.343 2.461 20 10 BECDHN Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)c(O)c1 ZINC000876512687 590205951 /nfs/dbraw/zinc/20/59/51/590205951.db2.gz VZRBXRGWUGJIBP-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN CCCC[N@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000876528673 590208942 /nfs/dbraw/zinc/20/89/42/590208942.db2.gz VMNJBPIYCOEUOM-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN CCCC[N@@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000876528673 590208944 /nfs/dbraw/zinc/20/89/44/590208944.db2.gz VMNJBPIYCOEUOM-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN Cc1cccc(O)c1CN(C)Cc1cnn(C)c1 ZINC000876547949 590213965 /nfs/dbraw/zinc/21/39/65/590213965.db2.gz NXZSBOURYPOQIH-UHFFFAOYSA-N 0 3 245.326 2.066 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C[C@H]1CCCO1 ZINC000876566870 590216900 /nfs/dbraw/zinc/21/69/00/590216900.db2.gz VUHUGFFZWFHSIC-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCCO1 ZINC000876566870 590216901 /nfs/dbraw/zinc/21/69/01/590216901.db2.gz VUHUGFFZWFHSIC-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](CCO)C2)c([O-])c1 ZINC000876693412 590231248 /nfs/dbraw/zinc/23/12/48/590231248.db2.gz DIZUHJCQVOFJFJ-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](CCO)C2)c([O-])c1 ZINC000876693412 590231250 /nfs/dbraw/zinc/23/12/50/590231250.db2.gz DIZUHJCQVOFJFJ-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+](CCCO)C2CC2)c([O-])c1 ZINC000876731303 590234594 /nfs/dbraw/zinc/23/45/94/590234594.db2.gz HSBJIILLWVFCNU-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+](CCCO)C2CC2)c([O-])c1 ZINC000876731303 590234596 /nfs/dbraw/zinc/23/45/96/590234596.db2.gz HSBJIILLWVFCNU-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(CN2CCO[C@H](C)[C@H]2C)c(O)c1 ZINC000876739312 590235233 /nfs/dbraw/zinc/23/52/33/590235233.db2.gz OAHLZAXCTZBZJW-VXGBXAGGSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCOC[C@@H](C)C1 ZINC000876752506 590237675 /nfs/dbraw/zinc/23/76/75/590237675.db2.gz RWVHFYWLPZGVFY-NSHDSACASA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCOC[C@@H](C)C1 ZINC000876752506 590237677 /nfs/dbraw/zinc/23/76/77/590237677.db2.gz RWVHFYWLPZGVFY-NSHDSACASA-N 0 3 235.327 2.169 20 10 BECDHN CCN1CCC[C@@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000876881992 590252793 /nfs/dbraw/zinc/25/27/93/590252793.db2.gz WCCVBLLICDJCKO-CYBMUJFWSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCCn1ccnc1 ZINC000876884820 590253662 /nfs/dbraw/zinc/25/36/62/590253662.db2.gz KQWQVDUEPJZLQK-UHFFFAOYSA-N 0 3 245.326 2.077 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2C[C@@H]2C)c([O-])c1 ZINC000876931183 590258355 /nfs/dbraw/zinc/25/83/55/590258355.db2.gz KTMUGMVBDKACRR-CMPLNLGQSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCCO1 ZINC000876971451 590262949 /nfs/dbraw/zinc/26/29/49/590262949.db2.gz ICJOLVQVVIITMF-LBPRGKRZSA-N 0 3 235.327 2.359 20 10 BECDHN CCC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877026528 590270839 /nfs/dbraw/zinc/27/08/39/590270839.db2.gz BXEICXLLFNNMIM-AWEZNQCLSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@@H](C)[C@@H](O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877024622 590270889 /nfs/dbraw/zinc/27/08/89/590270889.db2.gz JLWSHCVSTWUROI-YGRLFVJLSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@]2(C)CCOC2)c([O-])c1 ZINC000877039304 590272857 /nfs/dbraw/zinc/27/28/57/590272857.db2.gz JBUJLBOXIRUVGN-CQSZACIVSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1(O)CCCC1 ZINC000877036809 590273058 /nfs/dbraw/zinc/27/30/58/590273058.db2.gz WCKSVHNCSAPLPB-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN CC[C@H](O)CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877055252 590275186 /nfs/dbraw/zinc/27/51/86/590275186.db2.gz RATANBFNFZSVJF-LBPRGKRZSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H](C)C[C@H](C)O)c([O-])c1 ZINC000877059522 590276077 /nfs/dbraw/zinc/27/60/77/590276077.db2.gz XTOBTSXZULFOLI-RYUDHWBXSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)C[C@H](C)O ZINC000877058403 590276340 /nfs/dbraw/zinc/27/63/40/590276340.db2.gz IDPCPWBKKIRAAA-JQWIXIFHSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(CNCc2cc(C)ncn2)c(O)c1 ZINC000877124611 590289713 /nfs/dbraw/zinc/28/97/13/590289713.db2.gz OYKFFJIZIJOPTF-UHFFFAOYSA-N 0 3 243.310 2.089 20 10 BECDHN Cc1c(C[NH2+]Cc2ccc(C)cc2[O-])cnn1C ZINC000877127991 590290141 /nfs/dbraw/zinc/29/01/41/590290141.db2.gz CSIAPNZAXQNGNW-UHFFFAOYSA-N 0 3 245.326 2.032 20 10 BECDHN Cc1ccc(C[NH2+]CCN2CC[C@@H](C)C2)c([O-])c1 ZINC000877154754 590293677 /nfs/dbraw/zinc/29/36/77/590293677.db2.gz YUWNGMTZUAOWTI-CYBMUJFWSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c([O-])c1 ZINC000877170320 590295784 /nfs/dbraw/zinc/29/57/84/590295784.db2.gz MBXZPXSBGNLQEL-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c([O-])c1 ZINC000877170320 590295786 /nfs/dbraw/zinc/29/57/86/590295786.db2.gz MBXZPXSBGNLQEL-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877406416 590324190 /nfs/dbraw/zinc/32/41/90/590324190.db2.gz XBQUDLJJHARTGT-OOPCZODUSA-N 0 3 235.327 2.117 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](C)N(C)C[C@H]2C)c([O-])c1 ZINC000877407063 590324293 /nfs/dbraw/zinc/32/42/93/590324293.db2.gz MEYWLNFEZYYSJQ-QWHCGFSZSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@H]2C)c([O-])c1 ZINC000877407063 590324296 /nfs/dbraw/zinc/32/42/96/590324296.db2.gz MEYWLNFEZYYSJQ-QWHCGFSZSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000877461857 590332879 /nfs/dbraw/zinc/33/28/79/590332879.db2.gz KZMMBYQSMCZFSA-AWEZNQCLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000877461857 590332882 /nfs/dbraw/zinc/33/28/82/590332882.db2.gz KZMMBYQSMCZFSA-AWEZNQCLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@](C)(O)CC1 ZINC000877489190 590339281 /nfs/dbraw/zinc/33/92/81/590339281.db2.gz LETTVPJLGLICSI-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@](C)(O)CC1 ZINC000877489190 590339284 /nfs/dbraw/zinc/33/92/84/590339284.db2.gz LETTVPJLGLICSI-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](CO)C(C)C ZINC000877523800 590347226 /nfs/dbraw/zinc/34/72/26/590347226.db2.gz YYENNAOSFORSHR-LBPRGKRZSA-N 0 3 237.343 2.055 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c([O-])c1 ZINC000877542237 590351952 /nfs/dbraw/zinc/35/19/52/590351952.db2.gz QLZXDBXBRBIPDP-CYBMUJFWSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](O)C2(C)C)c([O-])c1 ZINC000877542237 590351956 /nfs/dbraw/zinc/35/19/56/590351956.db2.gz QLZXDBXBRBIPDP-CYBMUJFWSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCC[C@H]1C ZINC000877553078 590355528 /nfs/dbraw/zinc/35/55/28/590355528.db2.gz JAIWJPBITDQMSJ-DOMZBBRYSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000877553228 590355684 /nfs/dbraw/zinc/35/56/84/590355684.db2.gz YQKSWEIJMNVBLU-BETUJISGSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000877553228 590355687 /nfs/dbraw/zinc/35/56/87/590355687.db2.gz YQKSWEIJMNVBLU-BETUJISGSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CC2(C1)CCOCC2 ZINC000877581332 590365896 /nfs/dbraw/zinc/36/58/96/590365896.db2.gz XISNDLHODOFFDB-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000877595158 590370132 /nfs/dbraw/zinc/37/01/32/590370132.db2.gz UAKHETPPBSMPIP-WCQYABFASA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000877595158 590370136 /nfs/dbraw/zinc/37/01/36/590370136.db2.gz UAKHETPPBSMPIP-WCQYABFASA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC12CC2 ZINC000877597173 590370154 /nfs/dbraw/zinc/37/01/54/590370154.db2.gz BXTQHYGBZWMEIV-LBPRGKRZSA-N 0 3 203.285 2.343 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC12CC2 ZINC000877597172 590371242 /nfs/dbraw/zinc/37/12/42/590371242.db2.gz BXTQHYGBZWMEIV-GFCCVEGCSA-N 0 3 203.285 2.343 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000877615637 590375056 /nfs/dbraw/zinc/37/50/56/590375056.db2.gz USXWOEPPZQRXJE-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000877615637 590375058 /nfs/dbraw/zinc/37/50/58/590375058.db2.gz USXWOEPPZQRXJE-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c([O-])c1 ZINC000877631087 590377799 /nfs/dbraw/zinc/37/77/99/590377799.db2.gz DZOQSWZMNAYSIR-UONOGXRCSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000877646881 590384471 /nfs/dbraw/zinc/38/44/71/590384471.db2.gz MNWQTTKHZAANSZ-DGCLKSJQSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000877646881 590384474 /nfs/dbraw/zinc/38/44/74/590384474.db2.gz MNWQTTKHZAANSZ-DGCLKSJQSA-N 0 3 249.354 2.151 20 10 BECDHN CO[C@H]1C[C@@H](C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877659964 590387042 /nfs/dbraw/zinc/38/70/42/590387042.db2.gz BXVLJCHMBWANBY-BJHJDKERSA-N 0 3 235.327 2.215 20 10 BECDHN CC[C@@]1(O)CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000877692000 590392436 /nfs/dbraw/zinc/39/24/36/590392436.db2.gz ZUNWCPZPZYKJGY-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@]1(O)CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000877692000 590392438 /nfs/dbraw/zinc/39/24/38/590392438.db2.gz ZUNWCPZPZYKJGY-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CO[C@H](C[N@@H+]1Cc2cccc([O-])c2C1)C1CC1 ZINC000877702902 590395505 /nfs/dbraw/zinc/39/55/05/590395505.db2.gz JJKWAQBQZPVWQD-CQSZACIVSA-N 0 3 233.311 2.133 20 10 BECDHN CO[C@H](C[N@H+]1Cc2cccc([O-])c2C1)C1CC1 ZINC000877702902 590395508 /nfs/dbraw/zinc/39/55/08/590395508.db2.gz JJKWAQBQZPVWQD-CQSZACIVSA-N 0 3 233.311 2.133 20 10 BECDHN C[C@@H]1C[C@@H]1C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703072 590396837 /nfs/dbraw/zinc/39/68/37/590396837.db2.gz PZBDWVGPBQULBN-MWLCHTKSSA-N 0 3 203.285 2.364 20 10 BECDHN C[C@@H]1C[C@@H]1C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703072 590396839 /nfs/dbraw/zinc/39/68/39/590396839.db2.gz PZBDWVGPBQULBN-MWLCHTKSSA-N 0 3 203.285 2.364 20 10 BECDHN Cc1cccc(CN[C@@H](C)c2ccnn2C)c1O ZINC000877763223 590419216 /nfs/dbraw/zinc/41/92/16/590419216.db2.gz RBHSHOHUKXWITQ-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN CC(C)(O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000877797342 590424787 /nfs/dbraw/zinc/42/47/87/590424787.db2.gz UFYGXRWXGHHTEO-CYBMUJFWSA-N 0 3 249.354 2.375 20 10 BECDHN CC(C)(O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000877797342 590424789 /nfs/dbraw/zinc/42/47/89/590424789.db2.gz UFYGXRWXGHHTEO-CYBMUJFWSA-N 0 3 249.354 2.375 20 10 BECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C1CCOCC1 ZINC000134486624 591931681 /nfs/dbraw/zinc/93/16/81/591931681.db2.gz IEPGNVNKZGUSFW-LLVKDONJSA-N 0 3 235.327 2.297 20 10 BECDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1CCOCC1 ZINC000134486602 591931899 /nfs/dbraw/zinc/93/18/99/591931899.db2.gz IEPGNVNKZGUSFW-NSHDSACASA-N 0 3 235.327 2.297 20 10 BECDHN C[C@H]1C[C@H](C)[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000134957909 591962995 /nfs/dbraw/zinc/96/29/95/591962995.db2.gz XJQQACHLYWFCSF-UWVGGRQHSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@H]1C[C@H](C)[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000134957909 591962997 /nfs/dbraw/zinc/96/29/97/591962997.db2.gz XJQQACHLYWFCSF-UWVGGRQHSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1C[C@@]12CCOC2)c1ccccc1[O-] ZINC000886310279 592205560 /nfs/dbraw/zinc/20/55/60/592205560.db2.gz IKPMUSSJLXFZMN-LALPHHSUSA-N 0 3 247.338 2.469 20 10 BECDHN C[C@@]1([NH2+]Cc2ccccc2[O-])CCCOC1 ZINC000221356695 592415821 /nfs/dbraw/zinc/41/58/21/592415821.db2.gz VBBSFGPEIMDEJY-CYBMUJFWSA-N 0 3 221.300 2.051 20 10 BECDHN CO[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000308343747 631296448 /nfs/dbraw/zinc/29/64/48/631296448.db2.gz LPIQREKRZBNMSK-UONOGXRCSA-N 0 3 247.338 2.439 20 10 BECDHN CO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000308343748 631296763 /nfs/dbraw/zinc/29/67/63/631296763.db2.gz LPIQREKRZBNMSK-ZIAGYGMSSA-N 0 3 247.338 2.439 20 10 BECDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000309588188 632549653 /nfs/dbraw/zinc/54/96/53/632549653.db2.gz SUQNFVOCVMDPEO-BDAKNGLRSA-N 0 3 227.279 2.044 20 10 BECDHN CC(C)[C@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311112397 633068510 /nfs/dbraw/zinc/06/85/10/633068510.db2.gz WYRVNFBPIQLAHK-IUODEOHRSA-N 0 3 249.354 2.376 20 10 BECDHN C[C@H](C[C@H](C)O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000164568723 633079808 /nfs/dbraw/zinc/07/98/08/633079808.db2.gz AFUCLBNMYZUPNF-VWYCJHECSA-N 0 3 223.316 2.202 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CS1 ZINC000162935909 637229314 /nfs/dbraw/zinc/22/93/14/637229314.db2.gz LLOUFZOOHSVLJM-KOLCDFICSA-N 0 3 223.341 2.376 20 10 BECDHN CCN(CC)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000045690140 711488129 /nfs/dbraw/zinc/48/81/29/711488129.db2.gz IDJSBVJSYQVSMX-LBPRGKRZSA-N 0 3 236.359 2.212 20 10 BECDHN CC[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1[O-] ZINC000164048805 640438156 /nfs/dbraw/zinc/43/81/56/640438156.db2.gz DCPAZKGNDDEXHW-GFCCVEGCSA-N 0 3 235.327 2.348 20 10 BECDHN C[C@@H]([NH2+]C1CCOCC1)c1ccccc1[O-] ZINC000036319507 640475598 /nfs/dbraw/zinc/47/55/98/640475598.db2.gz LVPMOSNWWOBLLT-SNVBAGLBSA-N 0 3 221.300 2.222 20 10 BECDHN C[C@H]([NH2+]CC1(CCO)CC1)c1ccccc1[O-] ZINC000157457906 640684794 /nfs/dbraw/zinc/68/47/94/640684794.db2.gz SJKXMQLEHJNTFX-NSHDSACASA-N 0 3 235.327 2.205 20 10 BECDHN CO[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1(C)C ZINC000227826425 640850512 /nfs/dbraw/zinc/85/05/12/640850512.db2.gz UGSKVKCVSBNJDF-STQMWFEESA-N 0 3 235.327 2.295 20 10 BECDHN C[C@H](O)C[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000228087774 640860440 /nfs/dbraw/zinc/86/04/40/640860440.db2.gz OGJIPWRILGUFGM-GUBZILKMSA-N 0 3 241.306 2.341 20 10 BECDHN C[C@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1[O-] ZINC000230150865 641032540 /nfs/dbraw/zinc/03/25/40/641032540.db2.gz GGKMMYVESVGHSB-MFKMUULPSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000230410543 641052312 /nfs/dbraw/zinc/05/23/12/641052312.db2.gz LLDKQIUDHDZUJX-NWDGAFQWSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1[O-] ZINC000313031857 641527262 /nfs/dbraw/zinc/52/72/62/641527262.db2.gz ZCNCJANKLNEUHZ-GWCFXTLKSA-N 0 3 235.327 2.468 20 10 BECDHN CCOC(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000188865451 641771543 /nfs/dbraw/zinc/77/15/43/641771543.db2.gz NWSSSURRTOYVJP-UHFFFAOYSA-N 0 3 241.306 2.436 20 10 BECDHN C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179576954 642730606 /nfs/dbraw/zinc/73/06/06/642730606.db2.gz QUXXBCZVROKWKP-DGCLKSJQSA-N 0 3 235.327 2.128 20 10 BECDHN C[C@@H](O)C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179576954 642730629 /nfs/dbraw/zinc/73/06/29/642730629.db2.gz QUXXBCZVROKWKP-DGCLKSJQSA-N 0 3 235.327 2.128 20 10 BECDHN C[C@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCCO1 ZINC000180840506 642818762 /nfs/dbraw/zinc/81/87/62/642818762.db2.gz ULPYRLRBLIIOTK-CYBMUJFWSA-N 0 3 239.290 2.190 20 10 BECDHN CO[C@H](C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000733329074 643328053 /nfs/dbraw/zinc/32/80/53/643328053.db2.gz MCULTZYCRPJUAI-SNVBAGLBSA-N 0 3 249.232 2.059 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000186067974 643435305 /nfs/dbraw/zinc/43/53/05/643435305.db2.gz YZRSGAZIRQRZRX-WLTAIBSBSA-N 0 3 239.290 2.095 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccccc1[O-] ZINC000044684215 643548379 /nfs/dbraw/zinc/54/83/79/643548379.db2.gz AJBIFKYLMBZFOV-VXGBXAGGSA-N 0 3 246.354 2.280 20 10 BECDHN CCC[N@H+](CCOC)Cc1ccccc1[O-] ZINC000195156254 644362332 /nfs/dbraw/zinc/36/23/32/644362332.db2.gz HGSVDAQGSRQIIS-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN CCC[N@@H+](CCOC)Cc1ccccc1[O-] ZINC000195156254 644362337 /nfs/dbraw/zinc/36/23/37/644362337.db2.gz HGSVDAQGSRQIIS-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN C[C@@H]([NH2+]CCn1cccn1)c1cc(F)ccc1[O-] ZINC000094617856 644720545 /nfs/dbraw/zinc/72/05/45/644720545.db2.gz TWUGBZQMNBWWCA-SNVBAGLBSA-N 0 3 249.289 2.079 20 10 BECDHN C[C@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1[O-] ZINC000783518252 644757029 /nfs/dbraw/zinc/75/70/29/644757029.db2.gz LINSZVVLXCXWMQ-GXFFZTMASA-N 0 3 235.327 2.204 20 10 BECDHN COc1cccc(O)c1CNCC(C)(C)F ZINC000865653318 645721183 /nfs/dbraw/zinc/72/11/83/645721183.db2.gz DBPUAPDQAPAXAN-UHFFFAOYSA-N 0 3 227.279 2.239 20 10 BECDHN C[C@@H]([NH2+]CCOC1CC1)c1ccccc1[O-] ZINC000714976130 712502792 /nfs/dbraw/zinc/50/27/92/712502792.db2.gz UHNNVWUOXYALAD-SNVBAGLBSA-N 0 3 221.300 2.222 20 10 BECDHN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000716853654 712578584 /nfs/dbraw/zinc/57/85/84/712578584.db2.gz QDXXRDNPBKIGEY-SKDRFNHKSA-N 0 3 241.306 2.170 20 10 BECDHN COc1cccc([O-])c1C[NH2+]CC[C@H](C)F ZINC000382162027 710800811 /nfs/dbraw/zinc/80/08/11/710800811.db2.gz SXSFAAWIPCSWQS-VIFPVBQESA-N 0 3 227.279 2.239 20 10 BECDHN C[C@H]1COCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000398907368 710910713 /nfs/dbraw/zinc/91/07/13/710910713.db2.gz GMVIYHYGCVJTRI-JTQLQIEISA-N 0 3 239.290 2.142 20 10 BECDHN C[C@H]1COCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000398907368 710910727 /nfs/dbraw/zinc/91/07/27/710910727.db2.gz GMVIYHYGCVJTRI-JTQLQIEISA-N 0 3 239.290 2.142 20 10 BECDHN C[C@@H](O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000383872003 710986224 /nfs/dbraw/zinc/98/62/24/710986224.db2.gz PXELIMDRMMRTJU-ZYHUDNBSSA-N 0 3 235.327 2.130 20 10 BECDHN COc1cccc([O-])c1C[NH2+]CC1(C)CC1 ZINC000390499037 711121969 /nfs/dbraw/zinc/12/19/69/711121969.db2.gz TXQYXOSNBXPRQE-UHFFFAOYSA-N 0 3 221.300 2.291 20 10 BECDHN CC(C)[C@@H](CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000394065817 711183280 /nfs/dbraw/zinc/18/32/80/711183280.db2.gz ZRSMTJSYXMJBBB-OLZOCXBDSA-N 0 3 249.354 2.234 20 10 BECDHN Cc1nocc1CNCc1cccc(C)c1O ZINC000397944574 711398178 /nfs/dbraw/zinc/39/81/78/711398178.db2.gz LMEYAPWRYPCYSY-UHFFFAOYSA-N 0 3 232.283 2.287 20 10 BECDHN CC1(C)C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CO1 ZINC000396516531 711222126 /nfs/dbraw/zinc/22/21/26/711222126.db2.gz FXJGXTCYZBGJIW-LLVKDONJSA-N 0 3 239.290 2.188 20 10 BECDHN C[C@@]1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CCOC1 ZINC000397160225 711377900 /nfs/dbraw/zinc/37/79/00/711377900.db2.gz SNQYIZVQNCCYFG-DOMZBBRYSA-N 0 3 247.338 2.396 20 10 BECDHN CN(C)C1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000397826185 711392889 /nfs/dbraw/zinc/39/28/89/711392889.db2.gz BCGXXPCBMKCRDU-GFCCVEGCSA-N 0 3 246.354 2.063 20 10 BECDHN Cc1ccc(CC[NH2+]Cc2ccccc2[O-])nc1 ZINC000399804733 711434764 /nfs/dbraw/zinc/43/47/64/711434764.db2.gz CMCRUEHOULBUIL-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H](C)O ZINC000386727927 711649541 /nfs/dbraw/zinc/64/95/41/711649541.db2.gz UOMOFAXMQPIEJA-UMNHJUIQSA-N 0 3 223.316 2.202 20 10 BECDHN CC[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1[O-] ZINC000042544578 711808575 /nfs/dbraw/zinc/80/85/75/711808575.db2.gz LAPIFNHSMSHJQV-WCQYABFASA-N 0 3 234.343 2.137 20 10 BECDHN CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000228406588 711834659 /nfs/dbraw/zinc/83/46/59/711834659.db2.gz JDAUOPCWOJTVMM-STQMWFEESA-N 0 3 235.327 2.439 20 10 BECDHN C[C@@H]([NH2+]CCOCCF)c1ccccc1[O-] ZINC000702652953 712058704 /nfs/dbraw/zinc/05/87/04/712058704.db2.gz AQXXGSNEENTQDQ-SNVBAGLBSA-N 0 3 227.279 2.029 20 10 BECDHN CC1(O)CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000703002122 712063794 /nfs/dbraw/zinc/06/37/94/712063794.db2.gz DGZPDBXRLISLDB-UHFFFAOYSA-N 0 3 235.327 2.175 20 10 BECDHN C[C@@H]1CC[C@H](C)N1CC(=O)Nc1ccc(N)cc1 ZINC000706291399 712144027 /nfs/dbraw/zinc/14/40/27/712144027.db2.gz UZTHFLRSXYSUDT-PHIMTYICSA-N 0 3 247.342 2.080 20 10 BECDHN C[C@@H]1CSC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000379897855 712621831 /nfs/dbraw/zinc/62/18/31/712621831.db2.gz HJIDGGQIBDQXAC-MWLCHTKSSA-N 0 3 223.341 2.233 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(CO)CCC1)CC2 ZINC000717633545 712662040 /nfs/dbraw/zinc/66/20/40/712662040.db2.gz WKBWVXUZWRTRJH-LBPRGKRZSA-N 0 3 247.338 2.132 20 10 BECDHN C[C@@H](NCc1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000038006267 712798673 /nfs/dbraw/zinc/79/86/73/712798673.db2.gz XZGLEXQZGVCPHP-LLVKDONJSA-N 0 3 244.342 2.327 20 10 BECDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])N1CCCCC1 ZINC000038028364 712799792 /nfs/dbraw/zinc/79/97/92/712799792.db2.gz MDZLYNJZPCFBQH-ZDUSSCGKSA-N 0 3 248.370 2.356 20 10 BECDHN C[C@@H]1[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1C ZINC000719648752 712820895 /nfs/dbraw/zinc/82/08/95/712820895.db2.gz RRJHJAQFKUCSQQ-WXHSDQCUSA-N 0 3 246.354 2.062 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC2(CC2)C1 ZINC001204276609 966956584 /nfs/dbraw/zinc/95/65/84/966956584.db2.gz OKLCAHLQMWJZQM-UHFFFAOYSA-N 0 3 219.284 2.084 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC2(CC2)C1 ZINC001204276609 966956590 /nfs/dbraw/zinc/95/65/90/966956590.db2.gz OKLCAHLQMWJZQM-UHFFFAOYSA-N 0 3 219.284 2.084 20 10 BECDHN C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC000128442341 1166062498 /nfs/dbraw/zinc/06/24/98/1166062498.db2.gz NNGQIDNNKQOLKW-MWLCHTKSSA-N 0 3 221.300 2.376 20 10 BECDHN CCCCC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001253549195 969221529 /nfs/dbraw/zinc/22/15/29/969221529.db2.gz OJGPHDYJJJNQAR-CYBMUJFWSA-N 0 3 237.343 2.423 20 10 BECDHN CC[N@H+](CCCCCO)Cc1ccccc1[O-] ZINC001236045500 979335266 /nfs/dbraw/zinc/33/52/66/979335266.db2.gz VFTKBWUTYAWKSR-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN CC[N@@H+](CCCCCO)Cc1ccccc1[O-] ZINC001236045500 979335289 /nfs/dbraw/zinc/33/52/89/979335289.db2.gz VFTKBWUTYAWKSR-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC000877605160 1168927285 /nfs/dbraw/zinc/92/72/85/1168927285.db2.gz OCDDOKXXQFIQBP-HIFRSBDPSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@@H]3C2)c([O-])c1 ZINC000877605160 1168927303 /nfs/dbraw/zinc/92/73/03/1168927303.db2.gz OCDDOKXXQFIQBP-HIFRSBDPSA-N 0 3 247.338 2.311 20 10 BECDHN CN1CCCc2cc(CN3CCC3)ccc21 ZINC001138354092 1169353842 /nfs/dbraw/zinc/35/38/42/1169353842.db2.gz VEYPRGJKQZTOBB-UHFFFAOYSA-N 0 3 216.328 2.275 20 10 BECDHN COC(C)(C)C[N@H+](C)Cc1ccccc1[O-] ZINC000404267120 971154830 /nfs/dbraw/zinc/15/48/30/971154830.db2.gz WBPZRKCLBXQJSF-UHFFFAOYSA-N 0 3 223.316 2.249 20 10 BECDHN COC(C)(C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000404267120 971154834 /nfs/dbraw/zinc/15/48/34/971154834.db2.gz WBPZRKCLBXQJSF-UHFFFAOYSA-N 0 3 223.316 2.249 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H](O)C1CCC1)CC2 ZINC000315763279 972250629 /nfs/dbraw/zinc/25/06/29/972250629.db2.gz CTPFCODAHALZLI-GXTWGEPZSA-N 0 3 247.338 2.130 20 10 BECDHN Cc1c(O)ccc(CN2CCC[C@@H]2CF)c1O ZINC001140750954 960552650 /nfs/dbraw/zinc/55/26/50/960552650.db2.gz DPLALDWKYARUQH-LLVKDONJSA-N 0 3 239.290 2.340 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001140948184 960740511 /nfs/dbraw/zinc/74/05/11/960740511.db2.gz WYTLMSJTMFOEMJ-WFASDCNBSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@](C)(O)[C@@H](C)C2)c([O-])c1 ZINC001140948184 960740528 /nfs/dbraw/zinc/74/05/28/960740528.db2.gz WYTLMSJTMFOEMJ-WFASDCNBSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1 ZINC001140958220 960754440 /nfs/dbraw/zinc/75/44/40/960754440.db2.gz USFCOHPFZZPORT-XYYAHUGASA-N 0 3 235.302 2.348 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c([O-])c1 ZINC001140958220 960754462 /nfs/dbraw/zinc/75/44/62/960754462.db2.gz USFCOHPFZZPORT-XYYAHUGASA-N 0 3 235.302 2.348 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c([O-])c1 ZINC001140958120 960757317 /nfs/dbraw/zinc/75/73/17/960757317.db2.gz QZHMBIAZYLBARZ-UXIGCNINSA-N 0 3 247.338 2.167 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H]3OC[C@@H](C)[C@H]3C2)c([O-])c1 ZINC001140958120 960757336 /nfs/dbraw/zinc/75/73/36/960757336.db2.gz QZHMBIAZYLBARZ-UXIGCNINSA-N 0 3 247.338 2.167 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC001140950987 960757392 /nfs/dbraw/zinc/75/73/92/960757392.db2.gz RWZPTAAQGVIMHV-WCQYABFASA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC001140950987 960757410 /nfs/dbraw/zinc/75/74/10/960757410.db2.gz RWZPTAAQGVIMHV-WCQYABFASA-N 0 3 235.327 2.046 20 10 BECDHN C[C@H]([NH2+][C@@H]1COC[C@H]1C)c1cc(F)ccc1[O-] ZINC000699811821 966099054 /nfs/dbraw/zinc/09/90/54/966099054.db2.gz YJCQPLRKDRZQND-VDDIYKPWSA-N 0 3 239.290 2.217 20 10 BECDHN C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1cc(F)ccc1[O-] ZINC000699811817 966099467 /nfs/dbraw/zinc/09/94/67/966099467.db2.gz YJCQPLRKDRZQND-HOTUBEGUSA-N 0 3 239.290 2.217 20 10 BECDHN C=Cn1cc(CNCc2cc(C)ccc2O)cn1 ZINC001206715552 966280908 /nfs/dbraw/zinc/28/09/08/966280908.db2.gz UVMWPHQFIDSCRS-UHFFFAOYSA-N 0 3 243.310 2.287 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC001237485401 966664395 /nfs/dbraw/zinc/66/43/95/966664395.db2.gz OYJDIYOHJONIMU-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](CO)CC[C@@H]1C ZINC001237485401 966664404 /nfs/dbraw/zinc/66/44/04/966664404.db2.gz OYJDIYOHJONIMU-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001203558617 966689061 /nfs/dbraw/zinc/68/90/61/966689061.db2.gz PTLHIAFWOBWYAI-CNDDSTCGSA-N 0 3 221.275 2.040 20 10 BECDHN [O-]c1ccccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001203558617 966689068 /nfs/dbraw/zinc/68/90/68/966689068.db2.gz PTLHIAFWOBWYAI-CNDDSTCGSA-N 0 3 221.275 2.040 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001203556018 966691350 /nfs/dbraw/zinc/69/13/50/966691350.db2.gz IQMRDVPNYOAJKU-CQSZACIVSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001203556018 966691360 /nfs/dbraw/zinc/69/13/60/966691360.db2.gz IQMRDVPNYOAJKU-CQSZACIVSA-N 0 3 233.311 2.147 20 10 BECDHN COc1ccc(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001203634753 966715987 /nfs/dbraw/zinc/71/59/87/966715987.db2.gz UDIPMOJVYGVEBW-MFKMUULPSA-N 0 3 233.311 2.385 20 10 BECDHN COc1ccc(C[N@H+]2CCC[C@@H]3C[C@@H]32)c([O-])c1 ZINC001203634753 966715994 /nfs/dbraw/zinc/71/59/94/966715994.db2.gz UDIPMOJVYGVEBW-MFKMUULPSA-N 0 3 233.311 2.385 20 10 BECDHN C[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874326 966792620 /nfs/dbraw/zinc/79/26/20/966792620.db2.gz UEDHNWZZMTUKFZ-SNVBAGLBSA-N 0 3 221.300 2.330 20 10 BECDHN Oc1ccc(CN2C[C@@H]3C[C@H]2C[C@@H]3F)cc1O ZINC001203880362 966808941 /nfs/dbraw/zinc/80/89/41/966808941.db2.gz PJESWLKCHLIBMD-DCAQKATOSA-N 0 3 237.274 2.030 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](F)CC1 ZINC001204276069 966950065 /nfs/dbraw/zinc/95/00/65/966950065.db2.gz FLUSNKBOGOQRRK-NSHDSACASA-N 0 3 239.290 2.422 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](F)CC1 ZINC001204276069 966950068 /nfs/dbraw/zinc/95/00/68/966950068.db2.gz FLUSNKBOGOQRRK-NSHDSACASA-N 0 3 239.290 2.422 20 10 BECDHN CN(Cc1ccncc1)Cc1ccc(O)cc1O ZINC001204276934 966957322 /nfs/dbraw/zinc/95/73/22/966957322.db2.gz UFQQKXBBPDGDNI-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001204279945 966957699 /nfs/dbraw/zinc/95/76/99/966957699.db2.gz FWZLVXVMQVRDSP-NHCYSSNCSA-N 0 3 237.274 2.030 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2C[C@H]1C[C@@H]2F ZINC001204279945 966957706 /nfs/dbraw/zinc/95/77/06/966957706.db2.gz FWZLVXVMQVRDSP-NHCYSSNCSA-N 0 3 237.274 2.030 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+](CC1CC1)C1CC1 ZINC001204277387 966960893 /nfs/dbraw/zinc/96/08/93/966960893.db2.gz CEMIGLHVYBDRPN-UHFFFAOYSA-N 0 3 233.311 2.472 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+](CC1CC1)C1CC1 ZINC001204277387 966960898 /nfs/dbraw/zinc/96/08/98/966960898.db2.gz CEMIGLHVYBDRPN-UHFFFAOYSA-N 0 3 233.311 2.472 20 10 BECDHN COc1cc(CN2C[C@H]3CC[C@@H]2C3)cc(O)c1O ZINC001204346747 966975714 /nfs/dbraw/zinc/97/57/14/966975714.db2.gz YFBDFDRVPPQTTK-GXSJLCMTSA-N 0 3 249.310 2.091 20 10 BECDHN C[C@@H]1C[N@H+](Cc2c([O-])cccc2F)C[C@@H]1F ZINC001137831872 967822096 /nfs/dbraw/zinc/82/20/96/967822096.db2.gz QQJKLXYGLDOIOT-KCJUWKMLSA-N 0 3 227.254 2.321 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2c([O-])cccc2F)C[C@@H]1F ZINC001137831872 967822097 /nfs/dbraw/zinc/82/20/97/967822097.db2.gz QQJKLXYGLDOIOT-KCJUWKMLSA-N 0 3 227.254 2.321 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@H]1CCCCO1)CC2 ZINC001207958447 968955336 /nfs/dbraw/zinc/95/53/36/968955336.db2.gz DMEUJURSZQLTKX-CYBMUJFWSA-N 0 3 247.338 2.319 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1CCCCO1)CC2 ZINC001207958447 968955346 /nfs/dbraw/zinc/95/53/46/968955346.db2.gz DMEUJURSZQLTKX-CYBMUJFWSA-N 0 3 247.338 2.319 20 10 BECDHN C[C@H]1C[C@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209434347 969506509 /nfs/dbraw/zinc/50/65/09/969506509.db2.gz YBIGTXODZKBKGT-JQWIXIFHSA-N 0 3 217.312 2.406 20 10 BECDHN C[C@H]1C[C@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001209434347 969506515 /nfs/dbraw/zinc/50/65/15/969506515.db2.gz YBIGTXODZKBKGT-JQWIXIFHSA-N 0 3 217.312 2.406 20 10 BECDHN O=C1C[C@@H]2CC([NH2+]Cc3ccccc3[O-])C[C@H]2C1 ZINC001254921730 969821569 /nfs/dbraw/zinc/82/15/69/969821569.db2.gz GHBBFUJJKFRFLH-RYUDHWBXSA-N 0 3 245.322 2.240 20 10 BECDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000401592654 970711282 /nfs/dbraw/zinc/71/12/82/970711282.db2.gz XUFGUFACOVPNDR-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCCOC1 ZINC000401592654 970711290 /nfs/dbraw/zinc/71/12/90/970711290.db2.gz XUFGUFACOVPNDR-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CO1 ZINC000402055479 970759980 /nfs/dbraw/zinc/75/99/80/970759980.db2.gz RDOZBQMQHBNPJM-YUSALJHKSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCSC1)CC2 ZINC000390801478 973943419 /nfs/dbraw/zinc/94/34/19/973943419.db2.gz ZLEGRYXTWQJXRW-QWRGUYRKSA-N 0 3 235.352 2.475 20 10 BECDHN Oc1cccc2c1CN(Cc1ccncc1)CC2 ZINC001204081287 974310114 /nfs/dbraw/zinc/31/01/14/974310114.db2.gz LMHHIVPOWRTGFX-UHFFFAOYSA-N 0 3 240.306 2.346 20 10 BECDHN CC1(C)C[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001172294127 974561648 /nfs/dbraw/zinc/56/16/48/974561648.db2.gz VGAGBKKOCLTVRT-GFCCVEGCSA-N 0 3 247.338 2.318 20 10 BECDHN CC1(C)C[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001172294127 974561656 /nfs/dbraw/zinc/56/16/56/974561656.db2.gz VGAGBKKOCLTVRT-GFCCVEGCSA-N 0 3 247.338 2.318 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@](O)(C3CC3)C2)c([O-])c1 ZINC001331074674 974589228 /nfs/dbraw/zinc/58/92/28/974589228.db2.gz GNFFJERYTJVJED-HNNXBMFYSA-N 0 3 247.338 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@](O)(C3CC3)C2)c([O-])c1 ZINC001331074674 974589237 /nfs/dbraw/zinc/58/92/37/974589237.db2.gz GNFFJERYTJVJED-HNNXBMFYSA-N 0 3 247.338 2.047 20 10 BECDHN COC1(C[N@@H+]2Cc3cccc([O-])c3C2)CCC1 ZINC001331083224 974594819 /nfs/dbraw/zinc/59/48/19/974594819.db2.gz KXYINIQIMVEYCF-UHFFFAOYSA-N 0 3 233.311 2.277 20 10 BECDHN COC1(C[N@H+]2Cc3cccc([O-])c3C2)CCC1 ZINC001331083224 974594827 /nfs/dbraw/zinc/59/48/27/974594827.db2.gz KXYINIQIMVEYCF-UHFFFAOYSA-N 0 3 233.311 2.277 20 10 BECDHN CCOCC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC001172409277 974670598 /nfs/dbraw/zinc/67/05/98/974670598.db2.gz SXYDQNRZYXWSAA-NSHDSACASA-N 0 3 223.316 2.297 20 10 BECDHN CCOCC[C@@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001172418592 974691933 /nfs/dbraw/zinc/69/19/33/974691933.db2.gz FHWOURSFSADBGD-SNVBAGLBSA-N 0 3 239.315 2.003 20 10 BECDHN CCN(Cc1c[nH]c(C)n1)Cc1ccccc1O ZINC001232465229 978104908 /nfs/dbraw/zinc/10/49/08/978104908.db2.gz ZAUBZBKYFIOWSL-UHFFFAOYSA-N 0 3 245.326 2.446 20 10 BECDHN CC(=O)C1CCN(Cc2ccc(N)cc2)CC1 ZINC001337838330 978519531 /nfs/dbraw/zinc/51/95/31/978519531.db2.gz NOYZURDURISFLD-UHFFFAOYSA-N 0 3 232.327 2.070 20 10 BECDHN CN(Cc1cccc(N)n1)Cc1ccccc1O ZINC001233372571 978589287 /nfs/dbraw/zinc/58/92/87/978589287.db2.gz VDBQHUHUUGBGRT-UHFFFAOYSA-N 0 3 243.310 2.001 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001236782682 979727289 /nfs/dbraw/zinc/72/72/89/979727289.db2.gz CUZRAVUAWIMNDV-OAHLLOKOSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001236782682 979727292 /nfs/dbraw/zinc/72/72/92/979727292.db2.gz CUZRAVUAWIMNDV-OAHLLOKOSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC001236784737 979729887 /nfs/dbraw/zinc/72/98/87/979729887.db2.gz ZSOPPUHBAJEFTI-CYBMUJFWSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC001236784737 979729894 /nfs/dbraw/zinc/72/98/94/979729894.db2.gz ZSOPPUHBAJEFTI-CYBMUJFWSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1ccc(CN(CC)C2CN(C)C2)c(O)c1 ZINC001236787256 979730760 /nfs/dbraw/zinc/73/07/60/979730760.db2.gz HRTCMKDKSGKZFP-UHFFFAOYSA-N 0 3 248.370 2.091 20 10 BECDHN CCc1ccc(C[N@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC001236788786 979731991 /nfs/dbraw/zinc/73/19/91/979731991.db2.gz QLFCSMZYDFVZOJ-ZDUSSCGKSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1ccc(C[N@@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC001236788786 979731997 /nfs/dbraw/zinc/73/19/97/979731997.db2.gz QLFCSMZYDFVZOJ-ZDUSSCGKSA-N 0 3 235.327 2.175 20 10 BECDHN COc1cc(C)c(C[N@@H+]2CC[C@H]2C)c([O-])c1 ZINC001236809009 979740907 /nfs/dbraw/zinc/74/09/07/979740907.db2.gz SMUNRMONAVEUOB-SNVBAGLBSA-N 0 3 221.300 2.303 20 10 BECDHN COc1cc(C)c(C[N@H+]2CC[C@H]2C)c([O-])c1 ZINC001236809009 979740915 /nfs/dbraw/zinc/74/09/15/979740915.db2.gz SMUNRMONAVEUOB-SNVBAGLBSA-N 0 3 221.300 2.303 20 10 BECDHN O=C1CCC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]12 ZINC001203561992 979792689 /nfs/dbraw/zinc/79/26/89/979792689.db2.gz AIXHIHUOTBTOQK-YPMHNXCESA-N 0 3 245.322 2.193 20 10 BECDHN O=C1CCC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]12 ZINC001203561992 979792701 /nfs/dbraw/zinc/79/27/01/979792701.db2.gz AIXHIHUOTBTOQK-YPMHNXCESA-N 0 3 245.322 2.193 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001237047630 979807961 /nfs/dbraw/zinc/80/79/61/979807961.db2.gz NBGBAMBOMSJAJP-CQSZACIVSA-N 0 3 249.354 2.472 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001237047630 979807966 /nfs/dbraw/zinc/80/79/66/979807966.db2.gz NBGBAMBOMSJAJP-CQSZACIVSA-N 0 3 249.354 2.472 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001237044114 979809004 /nfs/dbraw/zinc/80/90/04/979809004.db2.gz ARHKQKPUEXXVKR-BXUZGUMPSA-N 0 3 249.354 2.471 20 10 BECDHN CC(C)c1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001237044114 979809005 /nfs/dbraw/zinc/80/90/05/979809005.db2.gz ARHKQKPUEXXVKR-BXUZGUMPSA-N 0 3 249.354 2.471 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001237053977 979809984 /nfs/dbraw/zinc/80/99/84/979809984.db2.gz SAAMXFAJDNRCCU-GFCCVEGCSA-N 0 3 249.354 2.330 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001237053977 979809988 /nfs/dbraw/zinc/80/99/88/979809988.db2.gz SAAMXFAJDNRCCU-GFCCVEGCSA-N 0 3 249.354 2.330 20 10 BECDHN Nc1ccc(CN2CCNC3=CCCC[C@H]32)cc1 ZINC001237228018 979855828 /nfs/dbraw/zinc/85/58/28/979855828.db2.gz HQMLNAVCDNKKSY-OAHLLOKOSA-N 0 3 243.354 2.110 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001237486177 979908927 /nfs/dbraw/zinc/90/89/27/979908927.db2.gz WMJRBALEKAZODZ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@H](O)CC1 ZINC001237486177 979908936 /nfs/dbraw/zinc/90/89/36/979908936.db2.gz WMJRBALEKAZODZ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC[C@H]1CO ZINC001237482159 979911311 /nfs/dbraw/zinc/91/13/11/979911311.db2.gz JXTXQLITBOTZHM-LBPRGKRZSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCC[C@H]1CO ZINC001237482159 979911319 /nfs/dbraw/zinc/91/13/19/979911319.db2.gz JXTXQLITBOTZHM-LBPRGKRZSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC001237485871 979912781 /nfs/dbraw/zinc/91/27/81/979912781.db2.gz UWEGZKXGRZQPPN-RYUDHWBXSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1[C@@H](C)CC[C@H]1CO ZINC001237485871 979912787 /nfs/dbraw/zinc/91/27/87/979912787.db2.gz UWEGZKXGRZQPPN-RYUDHWBXSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(O)c1CN1CCCCC12COC2 ZINC001237489086 979915197 /nfs/dbraw/zinc/91/51/97/979915197.db2.gz DZYSJXWYYHYUFJ-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(O)c1CN1CCOC2(CC2)C1 ZINC001237494279 979916979 /nfs/dbraw/zinc/91/69/79/979916979.db2.gz HAELRQIWZZNZAI-UHFFFAOYSA-N 0 3 233.311 2.065 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@]12CCOC2 ZINC001237489475 979918029 /nfs/dbraw/zinc/91/80/29/979918029.db2.gz BJOYHACGBMROHQ-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@]12CCOC2 ZINC001237489475 979918038 /nfs/dbraw/zinc/91/80/38/979918038.db2.gz BJOYHACGBMROHQ-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(O)c1CN1CCCC12COC2 ZINC001237489623 979918745 /nfs/dbraw/zinc/91/87/45/979918745.db2.gz JIDUODMYWZAWHK-UHFFFAOYSA-N 0 3 233.311 2.065 20 10 BECDHN CC[N@H+](CCOC)Cc1cc(F)cc(C)c1[O-] ZINC001238058634 980131774 /nfs/dbraw/zinc/13/17/74/980131774.db2.gz UBAAYDLTVSTDOK-UHFFFAOYSA-N 0 3 241.306 2.308 20 10 BECDHN CC[N@@H+](CCOC)Cc1cc(F)cc(C)c1[O-] ZINC001238058634 980131779 /nfs/dbraw/zinc/13/17/79/980131779.db2.gz UBAAYDLTVSTDOK-UHFFFAOYSA-N 0 3 241.306 2.308 20 10 BECDHN Cc1cc(F)cc(C[N@@H+](C)C2CC2)c1[O-] ZINC001238058377 980132515 /nfs/dbraw/zinc/13/25/15/980132515.db2.gz RDSSPSUDHAJSFZ-UHFFFAOYSA-N 0 3 209.264 2.434 20 10 BECDHN Cc1cc(F)cc(C[N@H+](C)C2CC2)c1[O-] ZINC001238058377 980132517 /nfs/dbraw/zinc/13/25/17/980132517.db2.gz RDSSPSUDHAJSFZ-UHFFFAOYSA-N 0 3 209.264 2.434 20 10 BECDHN Cn1ccc2c1nccc2C1=CCCN(C)C1 ZINC001241569970 982819309 /nfs/dbraw/zinc/81/93/09/982819309.db2.gz DSXDFLRPGGOBQI-UHFFFAOYSA-N 0 3 227.311 2.292 20 10 BECDHN Cn1ccc2ncc(C3=CNCCC3)cc21 ZINC001243952418 985660624 /nfs/dbraw/zinc/66/06/24/985660624.db2.gz PEFDZHPNHWERGI-UHFFFAOYSA-N 0 3 213.284 2.298 20 10 BECDHN Cc1cnccc1CNCc1ccc(N)cc1 ZINC001579827107 986250431 /nfs/dbraw/zinc/25/04/31/986250431.db2.gz ZSDFAJOYKNTXEN-UHFFFAOYSA-N 0 3 227.311 2.262 20 10 BECDHN C[C@@H]1C[C@H](F)CN1Cc1c(O)cccc1F ZINC001137831845 990856743 /nfs/dbraw/zinc/85/67/43/990856743.db2.gz PRFNPENZYQWOSG-BDAKNGLRSA-N 0 3 227.254 2.464 20 10 BECDHN [O-]c1ccc(F)cc1C[NH+]1CC2CC(C2)C1 ZINC001140060175 991511752 /nfs/dbraw/zinc/51/17/52/991511752.db2.gz NXKKOXAMUUOQDZ-UHFFFAOYSA-N 0 3 221.275 2.373 20 10 BECDHN Cc1ccc(C)c(CN2CCO[C@H](C)C2)c1O ZINC001140178213 991551362 /nfs/dbraw/zinc/55/13/62/991551362.db2.gz CTFSOAGDNZJMLZ-GFCCVEGCSA-N 0 3 235.327 2.230 20 10 BECDHN Cc1ccc(C)c(CN2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001140178639 991553272 /nfs/dbraw/zinc/55/32/72/991553272.db2.gz RUVKQGQIRRMKKN-BETUJISGSA-N 0 3 247.338 2.372 20 10 BECDHN CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000389563226 993755592 /nfs/dbraw/zinc/75/55/92/993755592.db2.gz URIZCOIMBHJRHI-RYUDHWBXSA-N 0 3 234.343 2.137 20 10 BECDHN CCC(CC)(CO)[NH2+]Cc1ccccc1[O-] ZINC000053046933 168329743 /nfs/dbraw/zinc/32/97/43/168329743.db2.gz HELMHCCBYOJMRF-UHFFFAOYSA-N 0 3 223.316 2.033 20 10 BECDHN COC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000296245938 398209395 /nfs/dbraw/zinc/20/93/95/398209395.db2.gz AZNYJGBNBHEANQ-OLZOCXBDSA-N 0 3 247.338 2.394 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)cc1C ZINC000293993758 178195205 /nfs/dbraw/zinc/19/52/05/178195205.db2.gz LVJXPPLDLLPUJE-CQSZACIVSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)cc1C ZINC000293993758 178195206 /nfs/dbraw/zinc/19/52/06/178195206.db2.gz LVJXPPLDLLPUJE-CQSZACIVSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](CO)C2)cc1C ZINC000154579586 178195513 /nfs/dbraw/zinc/19/55/13/178195513.db2.gz BNNFIXACZIEAHF-ZDUSSCGKSA-N 0 3 249.354 2.213 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](CO)C2)cc1C ZINC000154579586 178195514 /nfs/dbraw/zinc/19/55/14/178195514.db2.gz BNNFIXACZIEAHF-ZDUSSCGKSA-N 0 3 249.354 2.213 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@H](O)C2)cc1C ZINC000188829760 178197170 /nfs/dbraw/zinc/19/71/70/178197170.db2.gz RPJVHIXYONRMCG-JSGCOSHPSA-N 0 3 249.354 2.260 20 10 BECDHN CCN(CC)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000019919340 342963235 /nfs/dbraw/zinc/96/32/35/342963235.db2.gz YYMLPDJNEGIMSG-LBPRGKRZSA-N 0 3 236.359 2.385 20 10 BECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCO1 ZINC000020206254 342977246 /nfs/dbraw/zinc/97/72/46/342977246.db2.gz ONTDIZSHVIFUJR-MFKMUULPSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)Cn1cccn1)c1ccccc1[O-] ZINC000037155769 343337338 /nfs/dbraw/zinc/33/73/38/343337338.db2.gz IKHXLZBOOKRLPN-NWDGAFQWSA-N 0 3 245.326 2.328 20 10 BECDHN C[C@@H]([NH2+]CCC(C)(C)CO)c1ccccc1[O-] ZINC000296572678 136375980 /nfs/dbraw/zinc/37/59/80/136375980.db2.gz SZXQQVDCTLJMJX-LLVKDONJSA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]Cc2ccn(C)c2)c1 ZINC000267093166 178797856 /nfs/dbraw/zinc/79/78/56/178797856.db2.gz NBBZPIPXBWNCMF-UHFFFAOYSA-N 0 3 230.311 2.329 20 10 BECDHN CC[C@@H]([NH2+][C@@H](C)CO)c1ccc(C)cc1[O-] ZINC000279957340 346287240 /nfs/dbraw/zinc/28/72/40/346287240.db2.gz CDCQPHXZLJMCMH-CMPLNLGQSA-N 0 3 223.316 2.122 20 10 BECDHN Cc1cccc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289560029 179070511 /nfs/dbraw/zinc/07/05/11/179070511.db2.gz IWTAPRDAIUAVNQ-CHWSQXEVSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1[O-] ZINC000289560029 179070514 /nfs/dbraw/zinc/07/05/14/179070514.db2.gz IWTAPRDAIUAVNQ-CHWSQXEVSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(CN2CCO[C@@H](C)[C@@H]2C)c1O ZINC000180256961 179080013 /nfs/dbraw/zinc/08/00/13/179080013.db2.gz ZHPJIPUILDOJGO-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@]23CCOC3)c1[O-] ZINC000310969769 179075884 /nfs/dbraw/zinc/07/58/84/179075884.db2.gz PGBBCVCFUUADFI-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@]23CCOC3)c1[O-] ZINC000310969769 179075885 /nfs/dbraw/zinc/07/58/85/179075885.db2.gz PGBBCVCFUUADFI-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[NH2+]CCC[C@@H](C)CO)c1[O-] ZINC000224938769 179089546 /nfs/dbraw/zinc/08/95/46/179089546.db2.gz IEXQQYHZBJQHCR-LLVKDONJSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H]2CCCOC2)c1[O-] ZINC000124722026 179093417 /nfs/dbraw/zinc/09/34/17/179093417.db2.gz YBFAZEYWJUPJEI-GFCCVEGCSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1[O-] ZINC000124832945 179093463 /nfs/dbraw/zinc/09/34/63/179093463.db2.gz AMUUFIXWXAMKMO-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H](C)CCCO)c1[O-] ZINC000294692138 179093512 /nfs/dbraw/zinc/09/35/12/179093512.db2.gz CJIMVENUDKYCBC-LLVKDONJSA-N 0 3 237.343 2.199 20 10 BECDHN CO[C@H](CNCc1ccc2c(c1)CCO2)C(C)C ZINC000072924507 351765101 /nfs/dbraw/zinc/76/51/01/351765101.db2.gz YXQKFUMFHXHMGL-OAHLLOKOSA-N 0 3 249.354 2.382 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCCn2cccn2)c1 ZINC000113318872 188082371 /nfs/dbraw/zinc/08/23/71/188082371.db2.gz WCLWSQMNYSPEAL-UHFFFAOYSA-N 0 3 245.326 2.077 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC2(C)COC2)c([O-])c1 ZINC000094721860 188145819 /nfs/dbraw/zinc/14/58/19/188145819.db2.gz UTOVMGGYUYBUAP-NSHDSACASA-N 0 3 235.327 2.388 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCN(C)C)c([O-])c1C ZINC000287182975 188208849 /nfs/dbraw/zinc/20/88/49/188208849.db2.gz VHHUOYZNWKFMHM-LBPRGKRZSA-N 0 3 236.359 2.221 20 10 BECDHN CC1(C)C[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586081 363220284 /nfs/dbraw/zinc/22/02/84/363220284.db2.gz YAVDDUGREBKYOL-NSHDSACASA-N 0 3 209.264 2.419 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296567115 353828487 /nfs/dbraw/zinc/82/84/87/353828487.db2.gz UUWYTSSIPUKGOE-XCUNLHGCSA-N 0 3 247.338 2.296 20 10 BECDHN CC[C@@H]([NH2+]Cc1cccc(C)c1[O-])C(C)(C)O ZINC000293564172 364775432 /nfs/dbraw/zinc/77/54/32/364775432.db2.gz GIBJAWCJWITEFF-GFCCVEGCSA-N 0 3 237.343 2.340 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H](CO)c1ccccc1 ZINC000062999131 183141641 /nfs/dbraw/zinc/14/16/41/183141641.db2.gz ZGNKJVGPLJYOJO-AWEZNQCLSA-N 0 3 243.306 2.215 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CCOCC1CC1)CC2 ZINC000297605995 183296899 /nfs/dbraw/zinc/29/68/99/183296899.db2.gz IFCXTYZYNWFWBV-CYBMUJFWSA-N 0 3 247.338 2.396 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)CC2 ZINC000296358468 183297097 /nfs/dbraw/zinc/29/70/97/183297097.db2.gz HYEGSPCEBXXGCB-AVGNSLFASA-N 0 3 247.338 2.273 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCOCC1)CC2 ZINC000295923146 183297226 /nfs/dbraw/zinc/29/72/26/183297226.db2.gz JUGPOJXZPMJNBU-GFCCVEGCSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCCC[C@H]1O)CC2 ZINC000296358475 183298977 /nfs/dbraw/zinc/29/89/77/183298977.db2.gz HYEGSPCEBXXGCB-JHJVBQTASA-N 0 3 247.338 2.273 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1CC(F)(F)C1 ZINC000277646134 183301702 /nfs/dbraw/zinc/30/17/02/183301702.db2.gz MHHPJQZXMPZDQD-UHFFFAOYSA-N 0 3 213.227 2.280 20 10 BECDHN Oc1ccccc1CN1CCO[C@@H](C2CC2)C1 ZINC000375331652 183302042 /nfs/dbraw/zinc/30/20/42/183302042.db2.gz LKIYXBVMCQEJSX-CQSZACIVSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCc1ccncc1 ZINC000048261275 183303050 /nfs/dbraw/zinc/30/30/50/183303050.db2.gz ZGIVCLXSHWUQJR-UHFFFAOYSA-N 0 3 228.295 2.120 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000077205526 183303378 /nfs/dbraw/zinc/30/33/78/183303378.db2.gz XCKVJFRDENGUBL-OCCSQVGLSA-N 0 3 235.327 2.033 20 10 BECDHN C[C@H](CCCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000087358111 383826962 /nfs/dbraw/zinc/82/69/62/383826962.db2.gz NEVWYRKWBFCXHF-GHMZBOCLSA-N 0 3 223.316 2.204 20 10 BECDHN C[C@@H]([NH2+]CC1CCOCC1)c1ccccc1[O-] ZINC000111156533 383836174 /nfs/dbraw/zinc/83/61/74/383836174.db2.gz DQCHXZAYGBADBD-LLVKDONJSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@H]([NH2+]CC1CCOCC1)c1ccccc1[O-] ZINC000111156530 383838482 /nfs/dbraw/zinc/83/84/82/383838482.db2.gz DQCHXZAYGBADBD-NSHDSACASA-N 0 3 235.327 2.469 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000035629058 383864707 /nfs/dbraw/zinc/86/47/07/383864707.db2.gz UZSAUHOJGXXZKX-LBPRGKRZSA-N 0 3 248.370 2.445 20 10 BECDHN CCN(CC)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296135519 383930934 /nfs/dbraw/zinc/93/09/34/383930934.db2.gz VZEYZVWAQBIISE-ZDUSSCGKSA-N 0 3 248.370 2.311 20 10 BECDHN CC(C)C[C@@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296207702 383964842 /nfs/dbraw/zinc/96/48/42/383964842.db2.gz ZFBBEXPBOIEETQ-STQMWFEESA-N 0 3 249.354 2.376 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)N(C)C)c1 ZINC000038088025 384067846 /nfs/dbraw/zinc/06/78/46/384067846.db2.gz BBAARNRQHWOGSC-NWDGAFQWSA-N 0 3 236.359 2.301 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)N(C)C)c1ccccc1[O-] ZINC000038088664 384068057 /nfs/dbraw/zinc/06/80/57/384068057.db2.gz JKEBYISQFMJCLO-DGCLKSJQSA-N 0 3 236.359 2.383 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCCOC1)c1ccccc1[O-] ZINC000071011609 384148976 /nfs/dbraw/zinc/14/89/76/384148976.db2.gz WPKVOXZYNHAIAX-MNOVXSKESA-N 0 3 221.300 2.222 20 10 BECDHN COC[C@H](C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000070955621 384144013 /nfs/dbraw/zinc/14/40/13/384144013.db2.gz ZYYCXYTZZFSQLI-LLVKDONJSA-N 0 3 223.316 2.073 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C2(CN(C)C)CCC2)c1 ZINC000282359948 384258632 /nfs/dbraw/zinc/25/86/32/384258632.db2.gz WCZDWBDSKUWCDD-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](C)N(C)C)c1cc(F)ccc1[O-] ZINC000094617786 384306242 /nfs/dbraw/zinc/30/62/42/384306242.db2.gz XMYUQNZCBNJGAL-NXEZZACHSA-N 0 3 240.322 2.132 20 10 BECDHN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1cc(F)ccc1[O-] ZINC000094617785 384308487 /nfs/dbraw/zinc/30/84/87/384308487.db2.gz XMYUQNZCBNJGAL-VHSXEESVSA-N 0 3 240.322 2.132 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC2(C)COC2)c([O-])c1 ZINC000094721859 384310527 /nfs/dbraw/zinc/31/05/27/384310527.db2.gz UTOVMGGYUYBUAP-LLVKDONJSA-N 0 3 235.327 2.388 20 10 BECDHN CCC[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297649161 384312145 /nfs/dbraw/zinc/31/21/45/384312145.db2.gz KCKVAJMVFZEAIR-NWDGAFQWSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H](CCCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094942585 384318584 /nfs/dbraw/zinc/31/85/84/384318584.db2.gz XIPLNBHROPMHEP-NXEZZACHSA-N 0 3 241.306 2.343 20 10 BECDHN CC[C@H]([NH2+][C@H](C)CCO)c1ccccc1[O-] ZINC000120627815 384367524 /nfs/dbraw/zinc/36/75/24/384367524.db2.gz PVTMMBVOOIWYNH-PWSUYJOCSA-N 0 3 223.316 2.204 20 10 BECDHN C[C@H](C1CC1)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000120851858 384383848 /nfs/dbraw/zinc/38/38/48/384383848.db2.gz FGDLKPJBQAENIS-SECBINFHSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@H](C1CC1)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000120851858 384383851 /nfs/dbraw/zinc/38/38/51/384383851.db2.gz FGDLKPJBQAENIS-SECBINFHSA-N 0 3 249.310 2.351 20 10 BECDHN CCOCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036229150 384435196 /nfs/dbraw/zinc/43/51/96/384435196.db2.gz XBXBUIZXKUNFGR-JTQLQIEISA-N 0 3 209.289 2.079 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCCO1)c1ccccc1[O-] ZINC000019963525 384563951 /nfs/dbraw/zinc/56/39/51/384563951.db2.gz YZURDEZFFUJSAQ-QWRGUYRKSA-N 0 3 221.300 2.222 20 10 BECDHN Cc1n[nH]cc1CCC[NH2+]Cc1ccccc1[O-] ZINC000050182397 384602577 /nfs/dbraw/zinc/60/25/77/384602577.db2.gz MMYPJVDOEQQTEI-UHFFFAOYSA-N 0 3 245.326 2.146 20 10 BECDHN CCOc1cccc(C[NH+]2CCCC2)c1[O-] ZINC000101590300 384683744 /nfs/dbraw/zinc/68/37/44/384683744.db2.gz YSTSDJYEZZLAPB-UHFFFAOYSA-N 0 3 221.300 2.387 20 10 BECDHN CN(Cc1ccc(N(C)C)cc1)C[C@H]1CCCO1 ZINC000102675127 384721274 /nfs/dbraw/zinc/72/12/74/384721274.db2.gz ZPULARXVNSAWTE-OAHLLOKOSA-N 0 3 248.370 2.363 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c1 ZINC000185829896 384774867 /nfs/dbraw/zinc/77/48/67/384774867.db2.gz VZUTYJGDMCUPHN-RWMBFGLXSA-N 0 3 247.338 2.288 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000186490125 384846527 /nfs/dbraw/zinc/84/65/27/384846527.db2.gz MBTVDJNKLIJPRL-HEKLCECKSA-N 0 3 235.327 2.370 20 10 BECDHN CCC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163979100 384888632 /nfs/dbraw/zinc/88/86/32/384888632.db2.gz MPEBLRXMSQIMEH-WDEREUQCSA-N 0 3 223.316 2.204 20 10 BECDHN C[C@H](CCO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000085125563 384919490 /nfs/dbraw/zinc/91/94/90/384919490.db2.gz YKGXBPIJHKKXTB-GHMZBOCLSA-N 0 3 223.316 2.061 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000189315836 385143181 /nfs/dbraw/zinc/14/31/81/385143181.db2.gz QJRFETVGNWMENF-TUAOUCFPSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@](C)(CCO)[NH2+]Cc1ccccc1[O-] ZINC000166042965 385214843 /nfs/dbraw/zinc/21/48/43/385214843.db2.gz OXJYCOBHMROXFV-CYBMUJFWSA-N 0 3 223.316 2.033 20 10 BECDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000289722655 385302919 /nfs/dbraw/zinc/30/29/19/385302919.db2.gz GEQOKRDZSQMVOY-MNOVXSKESA-N 0 3 223.316 2.214 20 10 BECDHN C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1[O-] ZINC000167453165 385316588 /nfs/dbraw/zinc/31/65/88/385316588.db2.gz GLTWUXBGGHVFQA-SDDRHHMPSA-N 0 3 235.327 2.468 20 10 BECDHN CC[C@H](O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168827481 385389006 /nfs/dbraw/zinc/38/90/06/385389006.db2.gz FVUDWJLSAANHLJ-KOLCDFICSA-N 0 3 241.306 2.343 20 10 BECDHN CC[C@]1(CO)CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000191957456 385337440 /nfs/dbraw/zinc/33/74/40/385337440.db2.gz OEXYPPBFGPSKTP-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@]1(CO)CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000191957456 385337442 /nfs/dbraw/zinc/33/74/42/385337442.db2.gz OEXYPPBFGPSKTP-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@H](C[NH2+]Cc1cc(C)ccc1[O-])OC ZINC000289746754 385357525 /nfs/dbraw/zinc/35/75/25/385357525.db2.gz HXFHJRRXYYYLBQ-LBPRGKRZSA-N 0 3 223.316 2.215 20 10 BECDHN CCC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168772682 385385729 /nfs/dbraw/zinc/38/57/29/385385729.db2.gz UPEJDQINQRGQLU-ONGXEEELSA-N 0 3 241.306 2.343 20 10 BECDHN C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[O-])CCN1C ZINC000179579698 385476141 /nfs/dbraw/zinc/47/61/41/385476141.db2.gz HFPNXVCRNNKZCV-TZMCWYRMSA-N 0 3 248.370 2.307 20 10 BECDHN C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2[O-])CCN1C ZINC000179579698 385476146 /nfs/dbraw/zinc/47/61/46/385476146.db2.gz HFPNXVCRNNKZCV-TZMCWYRMSA-N 0 3 248.370 2.307 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@H](C)O1 ZINC000295264095 385513615 /nfs/dbraw/zinc/51/36/15/385513615.db2.gz VGCOJFYMPBDRBU-JFGNBEQYSA-N 0 3 221.300 2.048 20 10 BECDHN COC[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000211417240 385684347 /nfs/dbraw/zinc/68/43/47/385684347.db2.gz YLKYUGPFERIPNT-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000211417240 385684351 /nfs/dbraw/zinc/68/43/51/385684351.db2.gz YLKYUGPFERIPNT-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN COc1cc([O-])c(C[NH2+]C2CCC2)cc1OC ZINC000271914934 385860715 /nfs/dbraw/zinc/86/07/15/385860715.db2.gz YRZLYTILVSIETI-UHFFFAOYSA-N 0 3 237.299 2.052 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275971328 386257069 /nfs/dbraw/zinc/25/70/69/386257069.db2.gz LSQZGWRPVLVRAD-CQSZACIVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c1 ZINC000275971328 386257075 /nfs/dbraw/zinc/25/70/75/386257075.db2.gz LSQZGWRPVLVRAD-CQSZACIVSA-N 0 3 249.354 2.293 20 10 BECDHN CCC1(C)CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000297452184 386258021 /nfs/dbraw/zinc/25/80/21/386258021.db2.gz QTRWNFMFEKTSLC-UHFFFAOYSA-N 0 3 249.310 2.353 20 10 BECDHN CC[C@@H](COC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611293 386343821 /nfs/dbraw/zinc/34/38/21/386343821.db2.gz OIMXXLJPAUNPCZ-NSHDSACASA-N 0 3 227.279 2.046 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC[C@H](C)O)c([O-])c1 ZINC000293677466 386671924 /nfs/dbraw/zinc/67/19/24/386671924.db2.gz KCLJLYKIBCGRFD-NWDGAFQWSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CCO)c([O-])c1 ZINC000293251796 386793983 /nfs/dbraw/zinc/79/39/83/386793983.db2.gz BPIMSNDITZRJDV-RYUDHWBXSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1cc(CN(C)[C@H]2CCOC2)ccc1N(C)C ZINC000293196435 386787915 /nfs/dbraw/zinc/78/79/15/386787915.db2.gz UEBKTIZXCSEIQZ-AWEZNQCLSA-N 0 3 248.370 2.282 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CCCO)c([O-])c1 ZINC000284158171 387151189 /nfs/dbraw/zinc/15/11/89/387151189.db2.gz PRTMZJNCKSRXRZ-NSHDSACASA-N 0 3 223.316 2.042 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@@H](C)CO)c([O-])c1 ZINC000284256342 387169889 /nfs/dbraw/zinc/16/98/89/387169889.db2.gz VZAXDJXLTBLKGA-WDEREUQCSA-N 0 3 223.316 2.040 20 10 BECDHN CC[C@H]([NH2+]Cc1ccccc1[O-])C(C)(C)O ZINC000292942443 387318572 /nfs/dbraw/zinc/31/85/72/387318572.db2.gz HZGPYMBDLTUSSN-LBPRGKRZSA-N 0 3 223.316 2.031 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000296026484 177869982 /nfs/dbraw/zinc/86/99/82/177869982.db2.gz SJCCEBCQBHUXFJ-UTUOFQBUSA-N 0 3 235.327 2.183 20 10 BECDHN CO[C@@H](C)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000264937923 387951174 /nfs/dbraw/zinc/95/11/74/387951174.db2.gz DWBXKVXVJHEOEF-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN CCOc1ccc(O)c(CN[C@H](C)CF)c1 ZINC000288347106 387979214 /nfs/dbraw/zinc/97/92/14/387979214.db2.gz BUAIXPMXGDCZRF-SECBINFHSA-N 0 3 227.279 2.239 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000294936627 388406227 /nfs/dbraw/zinc/40/62/27/388406227.db2.gz ZYCCTHWVIFAORB-CYBMUJFWSA-N 0 3 235.327 2.358 20 10 BECDHN CO[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000293581516 388390769 /nfs/dbraw/zinc/39/07/69/388390769.db2.gz CAACGHZGQPYTQU-YGRLFVJLSA-N 0 3 235.327 2.468 20 10 BECDHN CO[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000293729340 388391827 /nfs/dbraw/zinc/39/18/27/388391827.db2.gz RFBMHFCPHPWFPT-GXTWGEPZSA-N 0 3 247.338 2.394 20 10 BECDHN C[C@H](CCCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000294748085 388403807 /nfs/dbraw/zinc/40/38/07/388403807.db2.gz HVLIRHDSRNPJJW-SNVBAGLBSA-N 0 3 241.306 2.030 20 10 BECDHN CC[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)OC ZINC000297490132 388429316 /nfs/dbraw/zinc/42/93/16/388429316.db2.gz ZXRZDDDPEVMKCY-VXGBXAGGSA-N 0 3 235.327 2.394 20 10 BECDHN CO[C@H](C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297895361 388433097 /nfs/dbraw/zinc/43/30/97/388433097.db2.gz VTXSENWHPXGHSF-PWSUYJOCSA-N 0 3 235.327 2.394 20 10 BECDHN C[C@@H](CCCCO)[NH2+]Cc1ccccc1[O-] ZINC000272517597 389033057 /nfs/dbraw/zinc/03/30/57/389033057.db2.gz XYYOMFPCMCGACA-NSHDSACASA-N 0 3 223.316 2.033 20 10 BECDHN CO[C@H](C)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000271851348 389026983 /nfs/dbraw/zinc/02/69/83/389026983.db2.gz IQVXJPIEOJXEQM-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN C[C@@H](NCCF)c1ccc(N(C)C)cc1 ZINC000275043975 389051650 /nfs/dbraw/zinc/05/16/50/389051650.db2.gz YMOPSKAIZDEGTI-SNVBAGLBSA-N 0 3 210.296 2.373 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000185810912 397873387 /nfs/dbraw/zinc/87/33/87/397873387.db2.gz YETKJNUKBGKDPE-ISZGNANSSA-N 0 3 249.354 2.426 20 10 BECDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C[C@H](C)O ZINC000297677357 410046111 /nfs/dbraw/zinc/04/61/11/410046111.db2.gz LITRGGGYUGOBLM-NTZNESFSSA-N 0 3 249.354 2.376 20 10 BECDHN CC(C)[NH2+]C1CCN(Cc2ccccc2[O-])CC1 ZINC000179567365 167095931 /nfs/dbraw/zinc/09/59/31/167095931.db2.gz ZRGIMBVDKZTKMX-UHFFFAOYSA-N 0 3 248.370 2.355 20 10 BECDHN CC[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000083461965 171185929 /nfs/dbraw/zinc/18/59/29/171185929.db2.gz KQVVSISHPJHXBP-ZWNOBZJWSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@H](C)[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297794991 171378171 /nfs/dbraw/zinc/37/81/71/171378171.db2.gz QDQSQZAQUZUTDX-JKOKRWQUSA-N 0 3 249.354 2.376 20 10 BECDHN CCn1cc(CNCc2cc(C)ccc2O)cn1 ZINC000265573540 172171648 /nfs/dbraw/zinc/17/16/48/172171648.db2.gz XCWHJUMUIKPJKF-UHFFFAOYSA-N 0 3 245.326 2.207 20 10 BECDHN CN1CCC[C@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000179559517 173041701 /nfs/dbraw/zinc/04/17/01/173041701.db2.gz ARUUMLHQYHGOPO-ZDUSSCGKSA-N 0 3 248.370 2.166 20 10 BECDHN CN1CCC[C@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000179559517 173041703 /nfs/dbraw/zinc/04/17/03/173041703.db2.gz ARUUMLHQYHGOPO-ZDUSSCGKSA-N 0 3 248.370 2.166 20 10 BECDHN CN1CCC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296192905 173056491 /nfs/dbraw/zinc/05/64/91/173056491.db2.gz YQTCABPYSXINQR-QWHCGFSZSA-N 0 3 246.354 2.063 20 10 BECDHN COCC(C)(C)[N@H+](C)Cc1ccccc1[O-] ZINC000292818905 174079679 /nfs/dbraw/zinc/07/96/79/174079679.db2.gz PSQMRTAUUCQRIY-UHFFFAOYSA-N 0 3 223.316 2.249 20 10 BECDHN COCC(C)(C)[N@@H+](C)Cc1ccccc1[O-] ZINC000292818905 174079681 /nfs/dbraw/zinc/07/96/81/174079681.db2.gz PSQMRTAUUCQRIY-UHFFFAOYSA-N 0 3 223.316 2.249 20 10 BECDHN COCC1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000282054907 174103429 /nfs/dbraw/zinc/10/34/29/174103429.db2.gz PQFQXIPQZLTFPF-UHFFFAOYSA-N 0 3 235.327 2.299 20 10 BECDHN COCC1(NCc2ccc3c(c2)CCO3)CCC1 ZINC000284156467 174110084 /nfs/dbraw/zinc/11/00/84/174110084.db2.gz WBTARDWOMPWHQL-UHFFFAOYSA-N 0 3 247.338 2.280 20 10 BECDHN COCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000020142335 174250557 /nfs/dbraw/zinc/25/05/57/174250557.db2.gz PBSHLJWOZFEAIP-SNVBAGLBSA-N 0 3 209.289 2.079 20 10 BECDHN COc1ccc(O)c(CNCc2cccnc2)c1 ZINC000020141431 175158650 /nfs/dbraw/zinc/15/86/50/175158650.db2.gz YLJXLAJABWEOBW-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN COc1ccc([O-])c([C@H](C)[NH2+]C(C)C)c1 ZINC000019880737 175160614 /nfs/dbraw/zinc/16/06/14/175160614.db2.gz PQBQMTFSVVWIRD-VIFPVBQESA-N 0 3 209.289 2.460 20 10 BECDHN COc1ccc(O)c([C@H](C)NCCF)c1 ZINC000271855366 175160904 /nfs/dbraw/zinc/16/09/04/175160904.db2.gz SFWPYHZPLWMVTI-QMMMGPOBSA-N 0 3 213.252 2.021 20 10 BECDHN COc1cccc(C[NH+]2C[C@@H](C)[C@H](C)C2)c1[O-] ZINC000211650023 175259657 /nfs/dbraw/zinc/25/96/57/175259657.db2.gz BXXKHHJMXVABSY-GHMZBOCLSA-N 0 3 235.327 2.489 20 10 BECDHN C[C@@H]([NH2+]CCOCC1CC1)c1ccccc1[O-] ZINC000223660632 175882191 /nfs/dbraw/zinc/88/21/91/175882191.db2.gz SIXSSDMENXNMDA-LLVKDONJSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@@H]1CCC[C@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000071207008 176150326 /nfs/dbraw/zinc/15/03/26/176150326.db2.gz TZCQTGWYUOTWEU-MWLCHTKSSA-N 0 3 249.310 2.399 20 10 BECDHN C[C@@H]1COCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000376582056 176332833 /nfs/dbraw/zinc/33/28/33/176332833.db2.gz RIKHKNSCLCMDQM-ZDUSSCGKSA-N 0 3 248.370 2.221 20 10 BECDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000161304749 177332396 /nfs/dbraw/zinc/33/23/96/177332396.db2.gz IACBNKOVEXWZRD-JQWIXIFHSA-N 0 3 221.300 2.049 20 10 BECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000529653641 324372566 /nfs/dbraw/zinc/37/25/66/324372566.db2.gz SOYONQRGTZODED-OCCSQVGLSA-N 0 3 235.327 2.358 20 10 BECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000529650889 324372638 /nfs/dbraw/zinc/37/26/38/324372638.db2.gz JLPILDZGMGICLF-OLZOCXBDSA-N 0 3 239.290 2.188 20 10 BECDHN C[NH2+]C[C@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000854232190 588781336 /nfs/dbraw/zinc/78/13/36/588781336.db2.gz NZUQMHBLVQQNKG-IUCAKERBSA-N 0 3 242.750 2.304 20 10 BECDHN CNC[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000854232190 588781337 /nfs/dbraw/zinc/78/13/37/588781337.db2.gz NZUQMHBLVQQNKG-IUCAKERBSA-N 0 3 242.750 2.304 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1 ZINC000857061261 588884670 /nfs/dbraw/zinc/88/46/70/588884670.db2.gz NBBNZIYXJOKPNV-TZMCWYRMSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1 ZINC000857061261 588884672 /nfs/dbraw/zinc/88/46/72/588884672.db2.gz NBBNZIYXJOKPNV-TZMCWYRMSA-N 0 3 249.354 2.151 20 10 BECDHN CC[C@]1(O)CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000877691295 583342771 /nfs/dbraw/zinc/34/27/71/583342771.db2.gz MACGCPIZLRDXRJ-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@]1(O)CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000877691295 583342772 /nfs/dbraw/zinc/34/27/72/583342772.db2.gz MACGCPIZLRDXRJ-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cn1ccc(C[NH2+]Cc2ccccc2[O-])c1 ZINC000129077825 583572716 /nfs/dbraw/zinc/57/27/16/583572716.db2.gz OEKNLHAJHLIIII-UHFFFAOYSA-N 0 3 216.284 2.021 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1 ZINC000895436409 583674717 /nfs/dbraw/zinc/67/47/17/583674717.db2.gz DNPHSCXUGGFMAB-UKRRQHHQSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1 ZINC000895436409 583674718 /nfs/dbraw/zinc/67/47/18/583674718.db2.gz DNPHSCXUGGFMAB-UKRRQHHQSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCc1ccns1 ZINC000895529385 583685032 /nfs/dbraw/zinc/68/50/32/583685032.db2.gz KTRWLXFMJSUNRZ-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CF)C1 ZINC000895572246 583692234 /nfs/dbraw/zinc/69/22/34/583692234.db2.gz FVBYTQKOTAWIJJ-LLVKDONJSA-N 0 3 223.291 2.492 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CF)C1 ZINC000895572246 583692235 /nfs/dbraw/zinc/69/22/35/583692235.db2.gz FVBYTQKOTAWIJJ-LLVKDONJSA-N 0 3 223.291 2.492 20 10 BECDHN CCO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000897067334 583876348 /nfs/dbraw/zinc/87/63/48/583876348.db2.gz HNHJAINRCUSTIG-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN CCO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000897067334 583876349 /nfs/dbraw/zinc/87/63/49/583876349.db2.gz HNHJAINRCUSTIG-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000898380561 584114764 /nfs/dbraw/zinc/11/47/64/584114764.db2.gz QOBOYNLLLWCCGU-UONOGXRCSA-N 0 3 247.338 2.215 20 10 BECDHN CC[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[O-] ZINC000902451963 584607589 /nfs/dbraw/zinc/60/75/89/584607589.db2.gz ZIBKEBMLOFIIEN-GXTWGEPZSA-N 0 3 248.370 2.431 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C)c([O-])c1C ZINC000903319420 584746607 /nfs/dbraw/zinc/74/66/07/584746607.db2.gz ZCGCARAENWWXJY-CHWSQXEVSA-N 0 3 248.370 2.364 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN2C)c([O-])c1 ZINC000903315891 584749749 /nfs/dbraw/zinc/74/97/49/584749749.db2.gz ABCLAERTGUNCLM-OLZOCXBDSA-N 0 3 248.370 2.364 20 10 BECDHN CC[C@H]([NH2+][C@H](C)CN)c1ccc(C)cc1[O-] ZINC000817965902 584993375 /nfs/dbraw/zinc/99/33/75/584993375.db2.gz FCGAOZLJSFONCJ-PWSUYJOCSA-N 0 3 222.332 2.089 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccccc1[O-] ZINC000817966004 584993402 /nfs/dbraw/zinc/99/34/02/584993402.db2.gz YTLRAGTYFVQYQW-QWHCGFSZSA-N 0 3 234.343 2.170 20 10 BECDHN CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc(F)cc1[O-] ZINC000817979337 584994305 /nfs/dbraw/zinc/99/43/05/584994305.db2.gz JNCBSNCAWKFGGA-PWSUYJOCSA-N 0 3 240.322 2.309 20 10 BECDHN C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978080 584994360 /nfs/dbraw/zinc/99/43/60/584994360.db2.gz VOSUFHRKNHQNNO-FXQIFTODSA-N 0 3 244.285 2.057 20 10 BECDHN C[C@H]([NH3+])[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978080 584994361 /nfs/dbraw/zinc/99/43/61/584994361.db2.gz VOSUFHRKNHQNNO-FXQIFTODSA-N 0 3 244.285 2.057 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1CC1 ZINC000838859549 585075621 /nfs/dbraw/zinc/07/56/21/585075621.db2.gz LGYFXMALWDPYCG-HNNXBMFYSA-N 0 3 249.354 2.375 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)C1CC1 ZINC000838859549 585075622 /nfs/dbraw/zinc/07/56/22/585075622.db2.gz LGYFXMALWDPYCG-HNNXBMFYSA-N 0 3 249.354 2.375 20 10 BECDHN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000839190858 585097520 /nfs/dbraw/zinc/09/75/20/585097520.db2.gz ARRUJLRETYPTRA-YPMHNXCESA-N 0 3 239.290 2.188 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCN2CC[C@@H](C)C2)c1 ZINC000744449781 585150270 /nfs/dbraw/zinc/15/02/70/585150270.db2.gz OKEHYLMFGKAFBR-CYBMUJFWSA-N 0 3 248.370 2.132 20 10 BECDHN C[C@@H]1C[C@@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000754100744 585278265 /nfs/dbraw/zinc/27/82/65/585278265.db2.gz FDWJXRBBWXFAOZ-ZYHUDNBSSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@@H]1C[C@@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000754100744 585278266 /nfs/dbraw/zinc/27/82/66/585278266.db2.gz FDWJXRBBWXFAOZ-ZYHUDNBSSA-N 0 3 205.301 2.480 20 10 BECDHN COCC1([NH2+]Cc2cc(C)c(C)cc2[O-])CC1 ZINC000765271566 585483354 /nfs/dbraw/zinc/48/33/54/585483354.db2.gz OTDBXJPPNGEHIB-UHFFFAOYSA-N 0 3 235.327 2.278 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)C1 ZINC000769102581 585549079 /nfs/dbraw/zinc/54/90/79/585549079.db2.gz OMFCTVRKEOYUQW-SNVBAGLBSA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](C)C1 ZINC000769102581 585549080 /nfs/dbraw/zinc/54/90/80/585549080.db2.gz OMFCTVRKEOYUQW-SNVBAGLBSA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C ZINC000769389225 585555434 /nfs/dbraw/zinc/55/54/34/585555434.db2.gz MCQNZZYBRWWKJE-SNVBAGLBSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H]1C ZINC000769389225 585555435 /nfs/dbraw/zinc/55/54/35/585555435.db2.gz MCQNZZYBRWWKJE-SNVBAGLBSA-N 0 3 221.300 2.385 20 10 BECDHN Cc1cc(O)c(CN(C)Cc2cn[nH]c2)cc1C ZINC000769427642 585556242 /nfs/dbraw/zinc/55/62/42/585556242.db2.gz YTVVKGSYSPNBKC-UHFFFAOYSA-N 0 3 245.326 2.364 20 10 BECDHN CCN(C)c1ccc(CN(C)C2CC(O)C2)cc1 ZINC000773844930 585644805 /nfs/dbraw/zinc/64/48/05/585644805.db2.gz IWVOBJINRJNQKB-UHFFFAOYSA-N 0 3 248.370 2.098 20 10 BECDHN C[C@H]([NH2+]CCN1CC[C@@H](C)C1)c1ccccc1[O-] ZINC000775130775 585672471 /nfs/dbraw/zinc/67/24/71/585672471.db2.gz OGFBJROGSGCRHT-OLZOCXBDSA-N 0 3 248.370 2.385 20 10 BECDHN C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000785988377 585884675 /nfs/dbraw/zinc/88/46/75/585884675.db2.gz MPBMLPUDKQYWMZ-DYEKYZERSA-N 0 3 249.354 2.374 20 10 BECDHN C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[O-] ZINC000785988377 585884676 /nfs/dbraw/zinc/88/46/76/585884676.db2.gz MPBMLPUDKQYWMZ-DYEKYZERSA-N 0 3 249.354 2.374 20 10 BECDHN COc1ccc([O-])c(C[NH+]2CC(C(C)C)C2)c1 ZINC000793193187 586013613 /nfs/dbraw/zinc/01/36/13/586013613.db2.gz SBVOTKMALMRPEG-UHFFFAOYSA-N 0 3 235.327 2.489 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1[C@H](C)C[C@@H]1C ZINC000793220032 586014544 /nfs/dbraw/zinc/01/45/44/586014544.db2.gz JIQCLNFZMGQXBJ-AOOOYVTPSA-N 0 3 221.300 2.384 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1[C@H](C)C[C@@H]1C ZINC000793220032 586014545 /nfs/dbraw/zinc/01/45/45/586014545.db2.gz JIQCLNFZMGQXBJ-AOOOYVTPSA-N 0 3 221.300 2.384 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C)cc1[O-] ZINC000794804385 586049228 /nfs/dbraw/zinc/04/92/28/586049228.db2.gz DSKJCWZTQDQCQF-OCCSQVGLSA-N 0 3 248.370 2.445 20 10 BECDHN CCOc1cccc(CN2CC(C)C2)c1O ZINC000802651301 586307532 /nfs/dbraw/zinc/30/75/32/586307532.db2.gz LXZVWJUTMVWMBK-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H](O)C2CC2)cc1C ZINC000809750921 586516949 /nfs/dbraw/zinc/51/69/49/586516949.db2.gz BTRJYDDGRZHFIL-OAHLLOKOSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](O)C2CC2)cc1C ZINC000809750921 586516950 /nfs/dbraw/zinc/51/69/50/586516950.db2.gz BTRJYDDGRZHFIL-OAHLLOKOSA-N 0 3 249.354 2.212 20 10 BECDHN C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000816647258 586749310 /nfs/dbraw/zinc/74/93/10/586749310.db2.gz QEBWYIIJBDHMDV-DTWKUNHWSA-N 0 3 209.264 2.372 20 10 BECDHN C[C@@H]1[C@@H](C)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000816647258 586749313 /nfs/dbraw/zinc/74/93/13/586749313.db2.gz QEBWYIIJBDHMDV-DTWKUNHWSA-N 0 3 209.264 2.372 20 10 BECDHN COc1cccc([O-])c1C[NH2+]C1CC=CC1 ZINC000817408918 586800811 /nfs/dbraw/zinc/80/08/11/586800811.db2.gz SAISVYGBTNJEKC-UHFFFAOYSA-N 0 3 219.284 2.209 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817418969 586803779 /nfs/dbraw/zinc/80/37/79/586803779.db2.gz MSBNOZJDGGJSAP-CYBMUJFWSA-N 0 3 249.354 2.377 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](CCO)CC1 ZINC000817418969 586803781 /nfs/dbraw/zinc/80/37/81/586803781.db2.gz MSBNOZJDGGJSAP-CYBMUJFWSA-N 0 3 249.354 2.377 20 10 BECDHN CC[C@H]([NH2+]C1CCNCC1)c1ccccc1[O-] ZINC000817936315 586843997 /nfs/dbraw/zinc/84/39/97/586843997.db2.gz NWMXBXHXDVLLNJ-ZDUSSCGKSA-N 0 3 234.343 2.185 20 10 BECDHN CC[C@@H]([NH2+]C1CCNCC1)c1ccc(C)cc1[O-] ZINC000817937584 586844156 /nfs/dbraw/zinc/84/41/56/586844156.db2.gz XYAFRAPQROUNRJ-CQSZACIVSA-N 0 3 248.370 2.493 20 10 BECDHN CC[C@H](N[C@H]1CC[NH2+]C1)c1ccc(C)cc1[O-] ZINC000817945035 586846030 /nfs/dbraw/zinc/84/60/30/586846030.db2.gz RVYUTJFDYLLQFH-AAEUAGOBSA-N 0 3 234.343 2.103 20 10 BECDHN C[C@H](NC1C[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817956390 586850404 /nfs/dbraw/zinc/85/04/04/586850404.db2.gz YBCSZRRDYIBJAA-JTQLQIEISA-N 0 3 242.322 2.168 20 10 BECDHN CC(C)[C@H](N)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000817958439 586850896 /nfs/dbraw/zinc/85/08/96/586850896.db2.gz JTJTYJJDPHKKOB-BXKDBHETSA-N 0 3 240.322 2.165 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CC2)c([O-])c1 ZINC000817960659 586851314 /nfs/dbraw/zinc/85/13/14/586851314.db2.gz OZEVPCRAAHGJID-MFKMUULPSA-N 0 3 234.343 2.089 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CN)C2CC2)c1 ZINC000817960837 586851733 /nfs/dbraw/zinc/85/17/33/586851733.db2.gz SBWXFRDFIJBYEP-ZWNOBZJWSA-N 0 3 234.343 2.089 20 10 BECDHN CC(C)C[C@H](CN)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000817960123 586851906 /nfs/dbraw/zinc/85/19/06/586851906.db2.gz XOJFIKRUEDASRI-NWDGAFQWSA-N 0 3 236.359 2.416 20 10 BECDHN CCC[NH2+]CCN[C@@H](C)c1cc(F)ccc1[O-] ZINC000817962402 586852866 /nfs/dbraw/zinc/85/28/66/586852866.db2.gz LEPVKGRAGJBRRA-JTQLQIEISA-N 0 3 240.322 2.182 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H](CN)C2CC2)c([O-])c1C ZINC000817961306 586852971 /nfs/dbraw/zinc/85/29/71/586852971.db2.gz WWXHVOJFGMUKBC-FZMZJTMJSA-N 0 3 248.370 2.397 20 10 BECDHN C[C@H](CN)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817966620 586855200 /nfs/dbraw/zinc/85/52/00/586855200.db2.gz RPXGPSQDJMQBPL-XKSSXDPKSA-N 0 3 238.306 2.016 20 10 BECDHN C[C@H](CN)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817966293 586855687 /nfs/dbraw/zinc/85/56/87/586855687.db2.gz KMYRDDDYHVFUGD-SFYZADRCSA-N 0 3 228.723 2.043 20 10 BECDHN C[C@H]([NH2+][C@@H]1CNCC[C@H]1C)c1ccccc1[O-] ZINC000817967844 586856568 /nfs/dbraw/zinc/85/65/68/586856568.db2.gz MLBAJMPNWKQSPA-NTZNESFSSA-N 0 3 234.343 2.041 20 10 BECDHN CC[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccccc1[O-] ZINC000817968791 586856834 /nfs/dbraw/zinc/85/68/34/586856834.db2.gz MQYOMPQVVGRZBO-XBFCOCLRSA-N 0 3 248.370 2.431 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)N)c1ccc(C)cc1[O-] ZINC000817971660 586859325 /nfs/dbraw/zinc/85/93/25/586859325.db2.gz GAQGPGWQOAXZCJ-ZYHUDNBSSA-N 0 3 222.332 2.089 20 10 BECDHN CCN[C@H](C)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817972775 586859660 /nfs/dbraw/zinc/85/96/60/586859660.db2.gz OMFIOVWGQCJVSQ-NXEZZACHSA-N 0 3 240.322 2.180 20 10 BECDHN CC[NH2+][C@H](C)CN[C@H](C)c1ccc(F)cc1[O-] ZINC000817972775 586859662 /nfs/dbraw/zinc/85/96/62/586859662.db2.gz OMFIOVWGQCJVSQ-NXEZZACHSA-N 0 3 240.322 2.180 20 10 BECDHN CC[C@H]([NH2+][C@H](C)[C@@H](C)N)c1ccccc1[O-] ZINC000817978075 586861826 /nfs/dbraw/zinc/86/18/26/586861826.db2.gz VJHRNLROELEVHC-FOGDFJRCSA-N 0 3 222.332 2.169 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c([O-])c1C ZINC000818358328 586888893 /nfs/dbraw/zinc/88/88/93/586888893.db2.gz VMWDHBJHTQOTDR-RAIGVLPGSA-N 0 3 235.327 2.183 20 10 BECDHN COc1cccc(C[N@@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000824649700 587280546 /nfs/dbraw/zinc/28/05/46/587280546.db2.gz FKHXKIYEYQSIOA-LBPRGKRZSA-N 0 3 233.311 2.385 20 10 BECDHN COc1cccc(C[N@H+]2CC[C@H]2C2CC2)c1[O-] ZINC000824649700 587280548 /nfs/dbraw/zinc/28/05/48/587280548.db2.gz FKHXKIYEYQSIOA-LBPRGKRZSA-N 0 3 233.311 2.385 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@@H]2C=CCC2)c1 ZINC000826941404 587366334 /nfs/dbraw/zinc/36/63/34/587366334.db2.gz JETMCFNKFAOUGK-LLVKDONJSA-N 0 3 219.284 2.209 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@H]2C=CCC2)c1 ZINC000826941406 587366368 /nfs/dbraw/zinc/36/63/68/587366368.db2.gz JETMCFNKFAOUGK-NSHDSACASA-N 0 3 219.284 2.209 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506791 587384916 /nfs/dbraw/zinc/38/49/16/587384916.db2.gz MFPGQEDMSDVEPM-ZYHUDNBSSA-N 0 3 203.285 2.234 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506791 587384918 /nfs/dbraw/zinc/38/49/18/587384918.db2.gz MFPGQEDMSDVEPM-ZYHUDNBSSA-N 0 3 203.285 2.234 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000827700664 587397445 /nfs/dbraw/zinc/39/74/45/587397445.db2.gz WOAMURYYSCYKAY-IUODEOHRSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c1 ZINC000827700664 587397447 /nfs/dbraw/zinc/39/74/47/587397447.db2.gz WOAMURYYSCYKAY-IUODEOHRSA-N 0 3 249.354 2.151 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)CC1CC1)CC2 ZINC000834693741 587764442 /nfs/dbraw/zinc/76/44/42/587764442.db2.gz QKNMKKIGLOBGQA-QWHCGFSZSA-N 0 3 247.338 2.130 20 10 BECDHN CCN(C/C=C\c1ccc(N(C)C)cc1)CCO ZINC000835025948 587779082 /nfs/dbraw/zinc/77/90/82/587779082.db2.gz OSRPNBICDYETJQ-WAYWQWQTSA-N 0 3 248.370 2.080 20 10 BECDHN CO[C@H](C)CNC/C=C/c1ccc(N(C)C)cc1 ZINC000835049998 587779584 /nfs/dbraw/zinc/77/95/84/587779584.db2.gz LGDBHXVFWMKOND-URWSZGRFSA-N 0 3 248.370 2.390 20 10 BECDHN CCc1ncc(CNCc2ccccc2O)cn1 ZINC000840892138 587928671 /nfs/dbraw/zinc/92/86/71/587928671.db2.gz YNKSLWPTJLNKDP-UHFFFAOYSA-N 0 3 243.310 2.034 20 10 BECDHN Cc1cc(N(C)C)ccc1CN1CCCOCC1 ZINC000840911113 587929629 /nfs/dbraw/zinc/92/96/29/587929629.db2.gz PHAZUNWBDILPLB-UHFFFAOYSA-N 0 3 248.370 2.283 20 10 BECDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(C)C ZINC000840968094 587932643 /nfs/dbraw/zinc/93/26/43/587932643.db2.gz VIWAILWOVGZRLT-GXTWGEPZSA-N 0 3 237.343 2.277 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000840977813 587933443 /nfs/dbraw/zinc/93/34/43/587933443.db2.gz KBBHAFVJGTXXJZ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c1[O-] ZINC000840977813 587933445 /nfs/dbraw/zinc/93/34/45/587933445.db2.gz KBBHAFVJGTXXJZ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN CC(C)[C@@H]([NH3+])CNCc1c([O-])cccc1Cl ZINC000841030459 587936581 /nfs/dbraw/zinc/93/65/81/587936581.db2.gz RZWPHWMOASUYFY-NSHDSACASA-N 0 3 242.750 2.119 20 10 BECDHN CC(C)[C@@H](N)C[NH2+]Cc1c([O-])cccc1Cl ZINC000841030459 587936583 /nfs/dbraw/zinc/93/65/83/587936583.db2.gz RZWPHWMOASUYFY-NSHDSACASA-N 0 3 242.750 2.119 20 10 BECDHN C[C@H]([NH3+])[C@H](C)NCc1cc(Cl)cc(F)c1[O-] ZINC000841076590 587944173 /nfs/dbraw/zinc/94/41/73/587944173.db2.gz JORFGIJWBWDGDR-BQBZGAKWSA-N 0 3 246.713 2.010 20 10 BECDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)[C@@H](C)N)c1[O-] ZINC000841076927 587944221 /nfs/dbraw/zinc/94/42/21/587944221.db2.gz UANHOJHKKOXEIG-RKDXNWHRSA-N 0 3 242.750 2.179 20 10 BECDHN CN[C@H](CC(C)(C)C)C(=O)Nc1ccc(N)cc1 ZINC000841846031 587977519 /nfs/dbraw/zinc/97/75/19/587977519.db2.gz JCRZZNSOGDLSJZ-GFCCVEGCSA-N 0 3 249.358 2.232 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCOC[C@H]1C1CCC1 ZINC000843428834 588108506 /nfs/dbraw/zinc/10/85/06/588108506.db2.gz NQYDNAKTJLPDSX-AWEZNQCLSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCOC[C@H]1C1CCC1 ZINC000843428834 588108507 /nfs/dbraw/zinc/10/85/07/588108507.db2.gz NQYDNAKTJLPDSX-AWEZNQCLSA-N 0 3 247.338 2.393 20 10 BECDHN COCCC[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846137393 588258448 /nfs/dbraw/zinc/25/84/48/588258448.db2.gz OWPOZWNQZRLDJB-SNVBAGLBSA-N 0 3 239.315 2.088 20 10 BECDHN COc1cccc([C@@H](C)NCCF)c1O ZINC000846169307 588259037 /nfs/dbraw/zinc/25/90/37/588259037.db2.gz ZUCMKUNEYQYEOU-MRVPVSSYSA-N 0 3 213.252 2.021 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](CO)CCF)c1 ZINC000846208814 588260082 /nfs/dbraw/zinc/26/00/82/588260082.db2.gz LUKZLCPXWOOWNH-WDEREUQCSA-N 0 3 241.306 2.072 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC000848888167 588416007 /nfs/dbraw/zinc/41/60/07/588416007.db2.gz NSHMXUUIOZUMAJ-OAHLLOKOSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@@](C)(O)C2)c1[O-] ZINC000848888167 588416008 /nfs/dbraw/zinc/41/60/08/588416008.db2.gz NSHMXUUIOZUMAJ-OAHLLOKOSA-N 0 3 249.354 2.301 20 10 BECDHN C/C=C/C[C@H](CO)[NH2+]Cc1cccc(CC)c1[O-] ZINC000848902491 588418670 /nfs/dbraw/zinc/41/86/70/588418670.db2.gz DZESMLZSZRILDN-LYKUJDHUSA-N 0 3 249.354 2.371 20 10 BECDHN CCc1cccc(C[N@H+](CCO)C2CCC2)c1[O-] ZINC000848905810 588418703 /nfs/dbraw/zinc/41/87/03/588418703.db2.gz OQMWTLGJMMIMKM-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+](CCO)C2CCC2)c1[O-] ZINC000848905810 588418704 /nfs/dbraw/zinc/41/87/04/588418704.db2.gz OQMWTLGJMMIMKM-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[NH+]2CC(C)C2)c1[O-] ZINC000848908448 588419332 /nfs/dbraw/zinc/41/93/32/588419332.db2.gz USRLBINNJXLNCU-UHFFFAOYSA-N 0 3 205.301 2.406 20 10 BECDHN [NH2+]=C(NCc1ccccc1[O-])N1CCCCCC1 ZINC000848984799 588425028 /nfs/dbraw/zinc/42/50/28/588425028.db2.gz FAOWLQOLYOTRLJ-UHFFFAOYSA-N 0 3 247.342 2.293 20 10 BECDHN COc1cccc([O-])c1C[NH2+]CCc1ccoc1 ZINC000850377013 588542123 /nfs/dbraw/zinc/54/21/23/588542123.db2.gz SCKYOVNUWMXMCB-UHFFFAOYSA-N 0 3 247.294 2.326 20 10 BECDHN COc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000850392060 588543855 /nfs/dbraw/zinc/54/38/55/588543855.db2.gz FXZUCENVMNBXCM-PTEHBNRSSA-N 0 3 233.311 2.289 20 10 BECDHN CCN(C)c1ccc([C@@H](C)NC/C=C\CO)cc1 ZINC000850506935 588553616 /nfs/dbraw/zinc/55/36/16/588553616.db2.gz CRQGKVCAQIKKSI-CFHLNLSMSA-N 0 3 248.370 2.342 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]C/C=C\CO)c([O-])c1 ZINC000850509089 588554492 /nfs/dbraw/zinc/55/44/92/588554492.db2.gz PBWLYZFYZJOKFS-RXNFCKPNSA-N 0 3 235.327 2.208 20 10 BECDHN CC[C@H](C)[N@H+](CCO)Cc1cccc(C)c1[O-] ZINC000862387291 589207285 /nfs/dbraw/zinc/20/72/85/589207285.db2.gz JLQFEVZIVINAPQ-LBPRGKRZSA-N 0 3 237.343 2.293 20 10 BECDHN CC[C@H](C)[N@@H+](CCO)Cc1cccc(C)c1[O-] ZINC000862387291 589207286 /nfs/dbraw/zinc/20/72/86/589207286.db2.gz JLQFEVZIVINAPQ-LBPRGKRZSA-N 0 3 237.343 2.293 20 10 BECDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCc2cccc([O-])c21 ZINC000863543519 589297320 /nfs/dbraw/zinc/29/73/20/589297320.db2.gz PSENRTGSBBFOSQ-YNEHKIRRSA-N 0 3 246.354 2.110 20 10 BECDHN Cc1cc([O-])c(CN(C)C[C@H](C)[NH3+])c(Cl)c1 ZINC000863652528 589307821 /nfs/dbraw/zinc/30/78/21/589307821.db2.gz UCYWWGPGYZQAQF-VIFPVBQESA-N 0 3 242.750 2.133 20 10 BECDHN CCC(CC)NC(=[NH2+])NCc1ccccc1[O-] ZINC000864453905 589365883 /nfs/dbraw/zinc/36/58/83/589365883.db2.gz RHGVEXLHWIZFGM-UHFFFAOYSA-N 0 3 235.331 2.195 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1C ZINC000872266618 589902735 /nfs/dbraw/zinc/90/27/35/589902735.db2.gz JFFUYZVYTWMSNO-OKILXGFUSA-N 0 3 247.338 2.087 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc1C ZINC000872266618 589902737 /nfs/dbraw/zinc/90/27/37/589902737.db2.gz JFFUYZVYTWMSNO-OKILXGFUSA-N 0 3 247.338 2.087 20 10 BECDHN COC[C@@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020087563 590073352 /nfs/dbraw/zinc/07/33/52/590073352.db2.gz QWPWURZKIMWJEA-MNOVXSKESA-N 0 3 223.316 2.386 20 10 BECDHN C[C@H]([NH2+]CCN1CCCC1)c1ccccc1[O-] ZINC000020126827 590076882 /nfs/dbraw/zinc/07/68/82/590076882.db2.gz JIEHFTXMNGFVKG-LBPRGKRZSA-N 0 3 234.343 2.139 20 10 BECDHN CC[C@@H](CCO)C[NH2+]Cc1cccc(C)c1[O-] ZINC000124859211 590094671 /nfs/dbraw/zinc/09/46/71/590094671.db2.gz DVKUJZXLSXPHRS-LBPRGKRZSA-N 0 3 237.343 2.199 20 10 BECDHN CC[C@H]1COCCN1Cc1ccc(C)cc1O ZINC000876617952 590222601 /nfs/dbraw/zinc/22/26/01/590222601.db2.gz XVGIUJDJNOBDOW-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCOC[C@@H]1C ZINC000876751972 590237951 /nfs/dbraw/zinc/23/79/51/590237951.db2.gz CEECMMOEVBNPPH-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCOC[C@@H]1C ZINC000876751972 590237953 /nfs/dbraw/zinc/23/79/53/590237953.db2.gz CEECMMOEVBNPPH-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2C[C@H]2C)c([O-])c1 ZINC000876931185 590258184 /nfs/dbraw/zinc/25/81/84/590258184.db2.gz KTMUGMVBDKACRR-PWSUYJOCSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](C)Cn2ccnc2)c([O-])c1 ZINC000876929692 590258389 /nfs/dbraw/zinc/25/83/89/590258389.db2.gz MECXDDBNQJJKOR-LBPRGKRZSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)CC(C)C ZINC000876987890 590265362 /nfs/dbraw/zinc/26/53/62/590265362.db2.gz MEZGCFYONNXCGU-LBPRGKRZSA-N 0 3 237.343 2.197 20 10 BECDHN COCC[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000876994591 590267017 /nfs/dbraw/zinc/26/70/17/590267017.db2.gz KMTLZYZOYDGSIM-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)N(C)C1CC1 ZINC000877024064 590270269 /nfs/dbraw/zinc/27/02/69/590270269.db2.gz PKBKUOKKMDAFFP-LBPRGKRZSA-N 0 3 248.370 2.273 20 10 BECDHN CC[C@H](C)[C@H](O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877024620 590270878 /nfs/dbraw/zinc/27/08/78/590270878.db2.gz JLWSHCVSTWUROI-IINYFYTJSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCN(C)C1 ZINC000877027755 590271567 /nfs/dbraw/zinc/27/15/67/590271567.db2.gz RSIHPUUSGCSDED-CYBMUJFWSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1ccc(C[NH2+]C[C@](C)(O)C(C)C)c([O-])c1 ZINC000877042883 590273574 /nfs/dbraw/zinc/27/35/74/590273574.db2.gz AVFJMXJHOZJHSW-AWEZNQCLSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000877059338 590276277 /nfs/dbraw/zinc/27/62/77/590276277.db2.gz VGBNURHOUOCTHW-STQMWFEESA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)C[C@H](C)O ZINC000877058404 590276319 /nfs/dbraw/zinc/27/63/19/590276319.db2.gz IDPCPWBKKIRAAA-PWSUYJOCSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000877058679 590276470 /nfs/dbraw/zinc/27/64/70/590276470.db2.gz LCXCWFLGAZWVNL-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+]CCc2cscn2)c([O-])c1 ZINC000877062179 590276845 /nfs/dbraw/zinc/27/68/45/590276845.db2.gz ZVCQMXANYFBHET-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)c([O-])c1 ZINC000877070919 590277661 /nfs/dbraw/zinc/27/76/61/590277661.db2.gz YUMXOBSNQCCHHA-GXTWGEPZSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCSC1 ZINC000877072031 590277912 /nfs/dbraw/zinc/27/79/12/590277912.db2.gz GGNRBOPIJJKNIW-JTQLQIEISA-N 0 3 223.341 2.296 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCc1ccncc1 ZINC000877089217 590281098 /nfs/dbraw/zinc/28/10/98/590281098.db2.gz GNUMNXJLHLIHBL-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN CC[C@H](CCO)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877110948 590287212 /nfs/dbraw/zinc/28/72/12/590287212.db2.gz GRRLXGCFGREFDM-GFCCVEGCSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1ccc(C[NH2+]CCC[C@H](C)CO)c([O-])c1 ZINC000877127240 590290117 /nfs/dbraw/zinc/29/01/17/590290117.db2.gz BZLXSIWGGSGWOC-LBPRGKRZSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCCOCC2)c([O-])c1 ZINC000877139128 590291416 /nfs/dbraw/zinc/29/14/16/590291416.db2.gz IGBHJINDRWGUME-ZDUSSCGKSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[N@H+]2CC=CCC2)c([O-])c1 ZINC000877168618 590295674 /nfs/dbraw/zinc/29/56/74/590295674.db2.gz XFNMVIGQLRZTBC-UHFFFAOYSA-N 0 3 203.285 2.463 20 10 BECDHN Cc1ccc(C[N@@H+]2CC=CCC2)c([O-])c1 ZINC000877168618 590295675 /nfs/dbraw/zinc/29/56/75/590295675.db2.gz XFNMVIGQLRZTBC-UHFFFAOYSA-N 0 3 203.285 2.463 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H]2C(C)(C)O)c([O-])c1 ZINC000877322239 590316586 /nfs/dbraw/zinc/31/65/86/590316586.db2.gz ABVCCRAZLRWDKH-AWEZNQCLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H]2C(C)(C)O)c([O-])c1 ZINC000877322239 590316588 /nfs/dbraw/zinc/31/65/88/590316588.db2.gz ABVCCRAZLRWDKH-AWEZNQCLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c([O-])c1 ZINC000877409686 590323724 /nfs/dbraw/zinc/32/37/24/590323724.db2.gz XZEXVQYYXKPBCQ-CHWSQXEVSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)c([O-])c1 ZINC000877409686 590323726 /nfs/dbraw/zinc/32/37/26/590323726.db2.gz XZEXVQYYXKPBCQ-CHWSQXEVSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](C)N(C)C[C@@H]2C)c([O-])c1 ZINC000877407064 590323944 /nfs/dbraw/zinc/32/39/44/590323944.db2.gz MEYWLNFEZYYSJQ-STQMWFEESA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](C)N(C)C[C@@H]2C)c([O-])c1 ZINC000877407064 590323947 /nfs/dbraw/zinc/32/39/47/590323947.db2.gz MEYWLNFEZYYSJQ-STQMWFEESA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[NH2+]C2CCC(O)CC2)c([O-])c1 ZINC000877423443 590325257 /nfs/dbraw/zinc/32/52/57/590325257.db2.gz ADZDVNNVVHLZQO-UHFFFAOYSA-N 0 3 235.327 2.094 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000877441127 590328091 /nfs/dbraw/zinc/32/80/91/590328091.db2.gz XOEULZBJVHOSOM-STQMWFEESA-N 0 3 235.327 2.094 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CCO)c([O-])c1 ZINC000877442710 590328945 /nfs/dbraw/zinc/32/89/45/590328945.db2.gz UMGOPILYNAPGOH-TZMCWYRMSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000877442398 590329319 /nfs/dbraw/zinc/32/93/19/590329319.db2.gz GZFYLHAAZPTXSQ-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877464110 590332714 /nfs/dbraw/zinc/33/27/14/590332714.db2.gz GFYYHWHHHFTTOO-QWRGUYRKSA-N 0 3 223.316 2.214 20 10 BECDHN CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877464111 590332739 /nfs/dbraw/zinc/33/27/39/590332739.db2.gz GFYYHWHHHFTTOO-WDEREUQCSA-N 0 3 223.316 2.214 20 10 BECDHN Cc1ccc(C[NH+]2CC([C@@H]3CCOC3)C2)c([O-])c1 ZINC000877488245 590338483 /nfs/dbraw/zinc/33/84/83/590338483.db2.gz CYTBQVIJDQJFHR-CYBMUJFWSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000877489517 590340195 /nfs/dbraw/zinc/34/01/95/590340195.db2.gz PRPZMZSHNSBGPY-GFCCVEGCSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[NH2+][C@H](CO)CC2CCC2)c([O-])c1 ZINC000877491398 590340523 /nfs/dbraw/zinc/34/05/23/590340523.db2.gz RNLLENGPPNUAFG-AWEZNQCLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000877518736 590345494 /nfs/dbraw/zinc/34/54/94/590345494.db2.gz GGLNBTCBZXHSHI-OLZOCXBDSA-N 0 3 249.354 2.463 20 10 BECDHN CO[C@@H](C[NH2+]Cc1c(C)cccc1[O-])C1CC1 ZINC000877551840 590355634 /nfs/dbraw/zinc/35/56/34/590355634.db2.gz FCYBFGAOGAJNAI-AWEZNQCLSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H](C)CCO ZINC000877556403 590357404 /nfs/dbraw/zinc/35/74/04/590357404.db2.gz FTOSTJIWNUCMIN-LLVKDONJSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1ccc(CN(C(C)C)C2COC2)c(O)c1 ZINC000877558093 590358367 /nfs/dbraw/zinc/35/83/67/590358367.db2.gz WHQJVLHXQNHYKD-UHFFFAOYSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1=CCOCC1 ZINC000877559239 590358574 /nfs/dbraw/zinc/35/85/74/590358574.db2.gz ULGQMAGAPFQCGQ-UHFFFAOYSA-N 0 3 233.311 2.137 20 10 BECDHN Cc1cccc(O)c1CN1CC[C@H](F)C1 ZINC000877558352 590359309 /nfs/dbraw/zinc/35/93/09/590359309.db2.gz FKMGAVZSPXZKDQ-JTQLQIEISA-N 0 3 209.264 2.244 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCOC2(C)C)c([O-])c1 ZINC000877562153 590359841 /nfs/dbraw/zinc/35/98/41/590359841.db2.gz VTPLNYKTBBYDNH-ZDUSSCGKSA-N 0 3 235.327 2.358 20 10 BECDHN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877561391 590360114 /nfs/dbraw/zinc/36/01/14/590360114.db2.gz LWMYCIMVRNTZAJ-ZIAGYGMSSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877561391 590360115 /nfs/dbraw/zinc/36/01/15/590360115.db2.gz LWMYCIMVRNTZAJ-ZIAGYGMSSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000877579054 590364654 /nfs/dbraw/zinc/36/46/54/590364654.db2.gz RUOOJXCYVUBFLJ-NEPJUHHUSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[NH2+]C(C)(C)CN(C)C)c([O-])c1 ZINC000877579590 590365059 /nfs/dbraw/zinc/36/50/59/590365059.db2.gz WESQAVNTNYCIOP-UHFFFAOYSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1cccc(O)c1CN1CC(C(F)F)C1 ZINC000877581125 590365583 /nfs/dbraw/zinc/36/55/83/590365583.db2.gz YCXNKDBQVBIBQN-UHFFFAOYSA-N 0 3 227.254 2.398 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H](CO)C2)c([O-])c1 ZINC000877593249 590368674 /nfs/dbraw/zinc/36/86/74/590368674.db2.gz QVXDAGJOGRIRDG-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](CO)[C@H]2C)c([O-])c1 ZINC000877591610 590369254 /nfs/dbraw/zinc/36/92/54/590369254.db2.gz HCARICPRXCIELE-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](CO)[C@H]2C)c([O-])c1 ZINC000877591610 590369256 /nfs/dbraw/zinc/36/92/56/590369256.db2.gz HCARICPRXCIELE-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000877592312 590369276 /nfs/dbraw/zinc/36/92/76/590369276.db2.gz NMWGFLMDPJEESP-CHWSQXEVSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000877592315 590369287 /nfs/dbraw/zinc/36/92/87/590369287.db2.gz NMWGFLMDPJEESP-STQMWFEESA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c([O-])c1 ZINC000877594864 590370068 /nfs/dbraw/zinc/37/00/68/590370068.db2.gz LGXCDSDYFDKNNN-OLZOCXBDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c([O-])c1 ZINC000877594864 590370070 /nfs/dbraw/zinc/37/00/70/590370070.db2.gz LGXCDSDYFDKNNN-OLZOCXBDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCC1(CO)CCC1 ZINC000877615285 590374530 /nfs/dbraw/zinc/37/45/30/590374530.db2.gz SZVAQQLZMJIOOR-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000877632298 590378152 /nfs/dbraw/zinc/37/81/52/590378152.db2.gz USSRELKYSAQEAA-ZIAGYGMSSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000877631939 590378418 /nfs/dbraw/zinc/37/84/18/590378418.db2.gz WTEHUDNVKPKOPF-DZGCQCFKSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H]3COC[C@@]3(C)C2)c([O-])c1 ZINC000877631939 590378420 /nfs/dbraw/zinc/37/84/20/590378420.db2.gz WTEHUDNVKPKOPF-DZGCQCFKSA-N 0 3 247.338 2.169 20 10 BECDHN CN(C)c1ccc(/C=C\CNC2CSC2)cc1 ZINC000877633955 590378545 /nfs/dbraw/zinc/37/85/45/590378545.db2.gz IVECTPQGNACCRN-ARJAWSKDSA-N 0 3 248.395 2.471 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000877658754 590386250 /nfs/dbraw/zinc/38/62/50/590386250.db2.gz WKYHPHRGKFBUMV-DOMZBBRYSA-N 0 3 247.338 2.358 20 10 BECDHN CCC[C@@H](CCO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877666466 590388620 /nfs/dbraw/zinc/38/86/20/590388620.db2.gz BVNQESKQQYWSLO-LBPRGKRZSA-N 0 3 237.343 2.341 20 10 BECDHN CCC[C@H](CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877666856 590389215 /nfs/dbraw/zinc/38/92/15/590389215.db2.gz IYCXZJZSEVUTHY-CYBMUJFWSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@@]1(O)CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877690629 590392593 /nfs/dbraw/zinc/39/25/93/590392593.db2.gz DGSKPDQGCYJCNL-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@]1(O)CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877690629 590392595 /nfs/dbraw/zinc/39/25/95/590392595.db2.gz DGSKPDQGCYJCNL-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN C[C@@H]1C[C@H]1C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703071 590396124 /nfs/dbraw/zinc/39/61/24/590396124.db2.gz PZBDWVGPBQULBN-KOLCDFICSA-N 0 3 203.285 2.364 20 10 BECDHN C[C@@H]1C[C@H]1C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703071 590396126 /nfs/dbraw/zinc/39/61/26/590396126.db2.gz PZBDWVGPBQULBN-KOLCDFICSA-N 0 3 203.285 2.364 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000877752106 590416121 /nfs/dbraw/zinc/41/61/21/590416121.db2.gz MYCCHBUQMCWGMN-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c1[O-] ZINC000877752106 590416123 /nfs/dbraw/zinc/41/61/23/590416123.db2.gz MYCCHBUQMCWGMN-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1[O-] ZINC000877755580 590416946 /nfs/dbraw/zinc/41/69/46/590416946.db2.gz GLTWUXBGGHVFQA-TUAOUCFPSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCO[C@H]1C)c1ccccc1[O-] ZINC000877756592 590417841 /nfs/dbraw/zinc/41/78/41/590417841.db2.gz WLJRWYKTQJNOSY-JFGNBEQYSA-N 0 3 221.300 2.220 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000877755855 590418150 /nfs/dbraw/zinc/41/81/50/590418150.db2.gz OZTIGFDMUFHJSJ-DMDPSCGWSA-N 0 3 235.327 2.468 20 10 BECDHN CN(CC[NH+](C)C)Cc1c([O-])cccc1Cl ZINC000132736858 591734706 /nfs/dbraw/zinc/73/47/06/591734706.db2.gz UPPSLCBILDRXIA-UHFFFAOYSA-N 0 3 242.750 2.039 20 10 BECDHN C[C@H](C[NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000134229636 591903083 /nfs/dbraw/zinc/90/30/83/591903083.db2.gz XUVSYQFMMSQXQP-SECBINFHSA-N 0 3 249.310 2.257 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC1(CO)CCCC1 ZINC000135074770 591982747 /nfs/dbraw/zinc/98/27/47/591982747.db2.gz QAFCLZDCLFERNO-UHFFFAOYSA-N 0 3 235.327 2.035 20 10 BECDHN CC1(C)COC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000313023440 634438579 /nfs/dbraw/zinc/43/85/79/634438579.db2.gz ORCMMXCARHFKGJ-LBPRGKRZSA-N 0 3 239.290 2.046 20 10 BECDHN COC1CC([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000230674342 635491332 /nfs/dbraw/zinc/49/13/32/635491332.db2.gz MZDIOWMOGVKEFV-WHXUTIOJSA-N 0 3 221.300 2.220 20 10 BECDHN CSCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000308959010 631755448 /nfs/dbraw/zinc/75/54/48/631755448.db2.gz YMATZGKWYGIFQL-JTQLQIEISA-N 0 3 223.341 2.332 20 10 BECDHN COC[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000309513358 632434104 /nfs/dbraw/zinc/43/41/04/632434104.db2.gz QKFGZDNODWWBSG-MWLCHTKSSA-N 0 3 221.300 2.004 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1ccccc1[O-] ZINC000235203271 632524598 /nfs/dbraw/zinc/52/45/98/632524598.db2.gz STVLIJJLGWFINX-UTUOFQBUSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@H]1CSC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000309817287 632672729 /nfs/dbraw/zinc/67/27/29/632672729.db2.gz VMVCDXCITRAZLR-KWQFWETISA-N 0 3 241.331 2.372 20 10 BECDHN CN(C)c1ccc(CNC2CSC2)cc1F ZINC000309430813 633061913 /nfs/dbraw/zinc/06/19/13/633061913.db2.gz GDHCCOIGUUGDNA-UHFFFAOYSA-N 0 3 240.347 2.097 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)O)c1[O-] ZINC000309878556 633889087 /nfs/dbraw/zinc/88/90/87/633889087.db2.gz ULKAHHXZIBFAPY-BDAKNGLRSA-N 0 3 243.734 2.385 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]Cc1ccoc1 ZINC000180507970 633893780 /nfs/dbraw/zinc/89/37/80/633893780.db2.gz VLUGHWVIQIGBEX-UHFFFAOYSA-N 0 3 221.231 2.414 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(O)CCCC1)CC2 ZINC000311129757 634222731 /nfs/dbraw/zinc/22/27/31/634222731.db2.gz BVOROMMIUFHMKC-LBPRGKRZSA-N 0 3 247.338 2.274 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCc1ccco1 ZINC000035661753 639810820 /nfs/dbraw/zinc/81/08/20/639810820.db2.gz GBEHZYPLZWKOKX-UHFFFAOYSA-N 0 3 217.268 2.318 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCN(C2CC2)C1)c1ccccc1[O-] ZINC000044684220 640452822 /nfs/dbraw/zinc/45/28/22/640452822.db2.gz AJBIFKYLMBZFOV-NEPJUHHUSA-N 0 3 246.354 2.280 20 10 BECDHN COC[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111329 640845720 /nfs/dbraw/zinc/84/57/20/640845720.db2.gz XZVLXNWYTCWHMV-DTWKUNHWSA-N 0 3 227.279 2.217 20 10 BECDHN C[C@@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1[O-] ZINC000230150855 641031535 /nfs/dbraw/zinc/03/15/35/641031535.db2.gz GGKMMYVESVGHSB-GXFFZTMASA-N 0 3 221.300 2.049 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000230669380 641078046 /nfs/dbraw/zinc/07/80/46/641078046.db2.gz LKAILHMVPJLVDQ-YPMHNXCESA-N 0 3 235.327 2.033 20 10 BECDHN COc1cc(C[NH2+]Cc2ccccc2[O-])ccn1 ZINC000060942039 641181249 /nfs/dbraw/zinc/18/12/49/641181249.db2.gz UIRFMTKAESQDFA-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1ccsc1 ZINC000152539332 641611969 /nfs/dbraw/zinc/61/19/69/641611969.db2.gz AUFYRLCUWPBJAP-CYBMUJFWSA-N 0 3 249.335 2.277 20 10 BECDHN CC[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000324365975 641780961 /nfs/dbraw/zinc/78/09/61/641780961.db2.gz WSCYSLZCWRVKPE-NSHDSACASA-N 0 3 249.310 2.399 20 10 BECDHN C[C@@H]1OCCN(Cc2ccccc2O)[C@H]1C ZINC000179575430 642725374 /nfs/dbraw/zinc/72/53/74/642725374.db2.gz GFRAFCAIAAKLRZ-QWRGUYRKSA-N 0 3 221.300 2.001 20 10 BECDHN CC(C)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183509650 643140435 /nfs/dbraw/zinc/14/04/35/643140435.db2.gz KPNVJPJMJLQDFM-RISCZKNCSA-N 0 3 237.343 2.450 20 10 BECDHN CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183510593 643140470 /nfs/dbraw/zinc/14/04/70/643140470.db2.gz GYCQFIWHSZBRRN-COPLHBTASA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)c1ccccc1[O-] ZINC000044684213 643547413 /nfs/dbraw/zinc/54/74/13/643547413.db2.gz AJBIFKYLMBZFOV-NWDGAFQWSA-N 0 3 246.354 2.280 20 10 BECDHN CC[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1[O-] ZINC000186280451 643673400 /nfs/dbraw/zinc/67/34/00/643673400.db2.gz VMQNPHJMSUEDAC-DYEKYZERSA-N 0 3 235.327 2.346 20 10 BECDHN C[C@@]1(C[NH2+]Cc2ccccc2[O-])CCCCO1 ZINC000922815369 644105245 /nfs/dbraw/zinc/10/52/45/644105245.db2.gz BIWRDFMWOPONBD-AWEZNQCLSA-N 0 3 235.327 2.441 20 10 BECDHN CC[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1[O-] ZINC000087784629 644502669 /nfs/dbraw/zinc/50/26/69/644502669.db2.gz VUXJNRZMXWZVNM-ZYHUDNBSSA-N 0 3 221.300 2.222 20 10 BECDHN C[C@H](CO)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756448385 644628256 /nfs/dbraw/zinc/62/82/56/644628256.db2.gz BWEMGJSXVXUYCO-XKSSXDPKSA-N 0 3 239.290 2.050 20 10 BECDHN C[C@@H]([NH2+][C@H](CCO)C1CC1)c1ccccc1[O-] ZINC000783518255 644756666 /nfs/dbraw/zinc/75/66/66/644756666.db2.gz LINSZVVLXCXWMQ-ZWNOBZJWSA-N 0 3 235.327 2.204 20 10 BECDHN C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccc1[O-] ZINC000252813166 644909946 /nfs/dbraw/zinc/90/99/46/644909946.db2.gz IBENYMQKHMECRB-IJLUTSLNSA-N 0 3 235.327 2.346 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCC1(CO)CCC1 ZINC000846102284 645404286 /nfs/dbraw/zinc/40/42/86/645404286.db2.gz LATBSUKTTFHREC-UHFFFAOYSA-N 0 3 235.327 2.035 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCOCC(F)(F)F ZINC000111607854 645500088 /nfs/dbraw/zinc/50/00/88/645500088.db2.gz GEZKDSBTGNHTRM-UHFFFAOYSA-N 0 3 249.232 2.061 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCC=CO2)c([O-])c1 ZINC000877459573 645796924 /nfs/dbraw/zinc/79/69/24/645796924.db2.gz LDINSVRGTXTOGA-CYBMUJFWSA-N 0 3 233.311 2.483 20 10 BECDHN Cc1ccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c([O-])c1 ZINC000877628006 645802160 /nfs/dbraw/zinc/80/21/60/645802160.db2.gz CGLIPPXKCSKBRA-RYUDHWBXSA-N 0 3 249.354 2.149 20 10 BECDHN CCO[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877626829 645802652 /nfs/dbraw/zinc/80/26/52/645802652.db2.gz YZAOPHICSIDOIW-JOCQHMNTSA-N 0 3 235.327 2.358 20 10 BECDHN CCSCC[NH2+]Cc1ccc(OC)cc1[O-] ZINC000380845121 712395099 /nfs/dbraw/zinc/39/50/99/712395099.db2.gz WBUFOJIZSJSDKM-UHFFFAOYSA-N 0 3 241.356 2.244 20 10 BECDHN COC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000714444254 712489721 /nfs/dbraw/zinc/48/97/21/712489721.db2.gz SEQYMOJDWBPNMR-WVSHTKLVSA-N 0 3 239.290 2.046 20 10 BECDHN CC[C@H](C[C@H](C)O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000716853650 712578621 /nfs/dbraw/zinc/57/86/21/712578621.db2.gz QDXXRDNPBKIGEY-JOYOIKCWSA-N 0 3 241.306 2.170 20 10 BECDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](C)OC ZINC000383341989 710980362 /nfs/dbraw/zinc/98/03/62/710980362.db2.gz RTJVQXPEWIAZEV-SNVBAGLBSA-N 0 3 241.306 2.388 20 10 BECDHN CC[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](C)OC ZINC000383341989 710980366 /nfs/dbraw/zinc/98/03/66/710980366.db2.gz RTJVQXPEWIAZEV-SNVBAGLBSA-N 0 3 241.306 2.388 20 10 BECDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000388523721 711061914 /nfs/dbraw/zinc/06/19/14/711061914.db2.gz XTJUUJWRIZMWCT-AAEUAGOBSA-N 0 3 235.327 2.297 20 10 BECDHN COc1ccc(C[NH2+][C@H]2CC[C@H]2C)c([O-])c1 ZINC000390671330 711130420 /nfs/dbraw/zinc/13/04/20/711130420.db2.gz SVHRXWJIZXNLQR-SKDRFNHKSA-N 0 3 221.300 2.289 20 10 BECDHN COc1ccc(C[NH2+][C@H]2CC[C@@H]2C)c([O-])c1 ZINC000390671328 711130693 /nfs/dbraw/zinc/13/06/93/711130693.db2.gz SVHRXWJIZXNLQR-CABZTGNLSA-N 0 3 221.300 2.289 20 10 BECDHN C[C@H]([NH2+]CCC1(CO)CC1)c1ccccc1[O-] ZINC000395878618 711217223 /nfs/dbraw/zinc/21/72/23/711217223.db2.gz NDKUBKZXTGGRRQ-NSHDSACASA-N 0 3 235.327 2.205 20 10 BECDHN Cc1nocc1CNCc1cc(C)ccc1O ZINC000397958357 711397664 /nfs/dbraw/zinc/39/76/64/711397664.db2.gz SXDNREYDJJOVLU-UHFFFAOYSA-N 0 3 232.283 2.287 20 10 BECDHN C[C@H]1CC[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])O1 ZINC000398101170 711400545 /nfs/dbraw/zinc/40/05/45/711400545.db2.gz XFQYKMHOKYEXDP-CABZTGNLSA-N 0 3 239.290 2.188 20 10 BECDHN CCC[C@@H](CCO)[NH2+]Cc1ccccc1[O-] ZINC000716930228 711588244 /nfs/dbraw/zinc/58/82/44/711588244.db2.gz LFTKFTZOBLPJNQ-LBPRGKRZSA-N 0 3 223.316 2.033 20 10 BECDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@H](C)O ZINC000386727926 711649901 /nfs/dbraw/zinc/64/99/01/711649901.db2.gz UOMOFAXMQPIEJA-SCVCMEIPSA-N 0 3 223.316 2.202 20 10 BECDHN CC(C)[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000398581245 711727096 /nfs/dbraw/zinc/72/70/96/711727096.db2.gz OVTXTBBVVPGREU-CYBMUJFWSA-N 0 3 241.306 2.028 20 10 BECDHN Cc1ncc(C[NH2+][C@H](C)c2ccccc2[O-])n1C ZINC000701827238 712029967 /nfs/dbraw/zinc/02/99/67/712029967.db2.gz YSMWIHMWUGIMNH-SNVBAGLBSA-N 0 3 245.326 2.285 20 10 BECDHN C[C@H]1N(Cc2ccccc2O)CCOC1(C)C ZINC000707691213 712175945 /nfs/dbraw/zinc/17/59/45/712175945.db2.gz PFRDICVPVFRBER-LLVKDONJSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@H]1[N@H+](Cc2ccccc2[O-])CCOC1(C)C ZINC000707691213 712175947 /nfs/dbraw/zinc/17/59/47/712175947.db2.gz PFRDICVPVFRBER-LLVKDONJSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@H]1[N@@H+](Cc2ccccc2[O-])CCOC1(C)C ZINC000707691213 712175949 /nfs/dbraw/zinc/17/59/49/712175949.db2.gz PFRDICVPVFRBER-LLVKDONJSA-N 0 3 235.327 2.392 20 10 BECDHN CC1(C)CO[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000708356054 712189889 /nfs/dbraw/zinc/18/98/89/712189889.db2.gz QXNBTIFTSAUMRY-GFCCVEGCSA-N 0 3 235.327 2.297 20 10 BECDHN CC1(C)CO[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000708356055 712190206 /nfs/dbraw/zinc/19/02/06/712190206.db2.gz QXNBTIFTSAUMRY-LBPRGKRZSA-N 0 3 235.327 2.297 20 10 BECDHN CC[C@@H]([NH2+]CCc1cn[nH]c1)c1ccccc1[O-] ZINC000379571724 712388401 /nfs/dbraw/zinc/38/84/01/712388401.db2.gz RJXQORVCZWNYFX-CYBMUJFWSA-N 0 3 245.326 2.399 20 10 BECDHN CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccccc1[O-] ZINC000712586931 712434698 /nfs/dbraw/zinc/43/46/98/712434698.db2.gz PQDPYUACBDYVPF-YPMHNXCESA-N 0 3 234.343 2.137 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C)c([O-])c1 ZINC000712588803 712435160 /nfs/dbraw/zinc/43/51/60/712435160.db2.gz YLFXSQYQXWUZEQ-VXGBXAGGSA-N 0 3 234.343 2.055 20 10 BECDHN COC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000714450246 712490124 /nfs/dbraw/zinc/49/01/24/712490124.db2.gz TWOCZMPYNHAPAU-KGYLQXTDSA-N 0 3 247.338 2.394 20 10 BECDHN COC[C@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000714450247 712490326 /nfs/dbraw/zinc/49/03/26/712490326.db2.gz TWOCZMPYNHAPAU-UHTWSYAYSA-N 0 3 247.338 2.394 20 10 BECDHN C[C@H]([NH2+][C@H](CO)C1CCC1)c1ccccc1[O-] ZINC000717603444 712662080 /nfs/dbraw/zinc/66/20/80/712662080.db2.gz IDXYJAZJAICCAK-GXFFZTMASA-N 0 3 235.327 2.204 20 10 BECDHN C[C@@H]([NH2+]CCN)c1ccc2ccccc2c1[O-] ZINC000037712371 712744761 /nfs/dbraw/zinc/74/47/61/712744761.db2.gz YSIWCFLUYQXANJ-SNVBAGLBSA-N 0 3 230.311 2.155 20 10 BECDHN C[C@H](NCc1cn[nH]c1)c1ccc(N(C)C)cc1 ZINC000038006266 712798738 /nfs/dbraw/zinc/79/87/38/712798738.db2.gz XZGLEXQZGVCPHP-NSHDSACASA-N 0 3 244.342 2.327 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@H]2C)c([O-])c1 ZINC000719558695 712809177 /nfs/dbraw/zinc/80/91/77/712809177.db2.gz LXZAOCOSKDSEOT-SGMGOOAPSA-N 0 3 248.370 2.444 20 10 BECDHN CC[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000720940723 712881009 /nfs/dbraw/zinc/88/10/09/712881009.db2.gz QYHAXELNEHLPAN-NQBHXWOUSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000720993199 712886312 /nfs/dbraw/zinc/88/63/12/712886312.db2.gz BFBRQIRBNAUQMO-SDDRHHMPSA-N 0 3 235.327 2.122 20 10 BECDHN [O-]c1cc(O)ccc1C[NH+]1CCC(F)CC1 ZINC001204272608 966951261 /nfs/dbraw/zinc/95/12/61/966951261.db2.gz RHODTQKTYIFUCL-UHFFFAOYSA-N 0 3 225.263 2.032 20 10 BECDHN C[C@H]1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC000128442133 1166062833 /nfs/dbraw/zinc/06/28/33/1166062833.db2.gz NNGQIDNNKQOLKW-ONGXEEELSA-N 0 3 221.300 2.376 20 10 BECDHN C[C@H]1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC000128442529 1166063285 /nfs/dbraw/zinc/06/32/85/1166063285.db2.gz NNGQIDNNKQOLKW-GXSJLCMTSA-N 0 3 221.300 2.376 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC2(O)CCC2)c([O-])c1 ZINC000168763449 1168389326 /nfs/dbraw/zinc/38/93/26/1168389326.db2.gz IOWHNQXEYVWNGL-NSHDSACASA-N 0 3 235.327 2.266 20 10 BECDHN CC[C@@H]1CN(Cc2ccccc2O)[C@@H](C)CO1 ZINC000403885660 971085624 /nfs/dbraw/zinc/08/56/24/971085624.db2.gz PBXOIKSCIMPETB-WCQYABFASA-N 0 3 235.327 2.392 20 10 BECDHN CC(C)(C)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000693868492 959459706 /nfs/dbraw/zinc/45/97/06/959459706.db2.gz SNQAVYHLKHYONO-ZDUSSCGKSA-N 0 3 248.370 2.355 20 10 BECDHN CO[C@@]1(C)C[C@H]1[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000694362184 959840666 /nfs/dbraw/zinc/84/06/66/959840666.db2.gz MXOPRVCEZSXXRC-WQHBLYJGSA-N 0 3 239.290 2.359 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)CC2)c([O-])c1 ZINC001140948099 960125086 /nfs/dbraw/zinc/12/50/86/960125086.db2.gz SPSAMHXSCNGCAZ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)CC2)c([O-])c1 ZINC001140948099 960125092 /nfs/dbraw/zinc/12/50/92/960125092.db2.gz SPSAMHXSCNGCAZ-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1c(O)ccc(CN2C[C@@H](C)[C@@H](F)C2)c1O ZINC001140742016 960546142 /nfs/dbraw/zinc/54/61/42/960546142.db2.gz HGDBOBXCIAURDW-KCJUWKMLSA-N 0 3 239.290 2.196 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001140947756 960743884 /nfs/dbraw/zinc/74/38/84/960743884.db2.gz DRHANELDOHTUAY-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC001140947756 960743897 /nfs/dbraw/zinc/74/38/97/960743897.db2.gz DRHANELDOHTUAY-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN COC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC001140948151 960743982 /nfs/dbraw/zinc/74/39/82/960743982.db2.gz VTWAVPJLZISRNU-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN COC[C@@H]1CCC[N@H+]1Cc1ccc(C)cc1[O-] ZINC001140948151 960743999 /nfs/dbraw/zinc/74/39/99/960743999.db2.gz VTWAVPJLZISRNU-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001140947759 960746501 /nfs/dbraw/zinc/74/65/01/960746501.db2.gz DRHANELDOHTUAY-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001140947759 960746520 /nfs/dbraw/zinc/74/65/20/960746520.db2.gz DRHANELDOHTUAY-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN CC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957465 960752527 /nfs/dbraw/zinc/75/25/27/960752527.db2.gz AALXBUWXSCCXOG-GFCCVEGCSA-N 0 3 233.311 2.112 20 10 BECDHN CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957465 960752540 /nfs/dbraw/zinc/75/25/40/960752540.db2.gz AALXBUWXSCCXOG-GFCCVEGCSA-N 0 3 233.311 2.112 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c([O-])c1 ZINC001140950985 960758738 /nfs/dbraw/zinc/75/87/38/960758738.db2.gz RWZPTAAQGVIMHV-AAEUAGOBSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c([O-])c1 ZINC001140950985 960758744 /nfs/dbraw/zinc/75/87/44/960758744.db2.gz RWZPTAAQGVIMHV-AAEUAGOBSA-N 0 3 235.327 2.046 20 10 BECDHN Nc1ccc(CCNCc2cscn2)cc1 ZINC000082626882 960818981 /nfs/dbraw/zinc/81/89/81/960818981.db2.gz RMWPJSNAYXFQSS-UHFFFAOYSA-N 0 3 233.340 2.058 20 10 BECDHN CCN(Cc1ccccc1O)c1cccc(N)n1 ZINC001154889709 962883126 /nfs/dbraw/zinc/88/31/26/962883126.db2.gz FQUNFWLQMVWQPR-UHFFFAOYSA-N 0 3 243.310 2.396 20 10 BECDHN C[C@@H]1C[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)CCO1 ZINC001168137208 963835626 /nfs/dbraw/zinc/83/56/26/963835626.db2.gz NLRXHBYLRYISJI-YPMHNXCESA-N 0 3 247.338 2.318 20 10 BECDHN C[C@@H]1C[C@@H]([N@H+]2CCc3cccc([O-])c3C2)CCO1 ZINC001168137208 963835627 /nfs/dbraw/zinc/83/56/27/963835627.db2.gz NLRXHBYLRYISJI-YPMHNXCESA-N 0 3 247.338 2.318 20 10 BECDHN C[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccccc1[O-] ZINC000699474970 965903063 /nfs/dbraw/zinc/90/30/63/965903063.db2.gz LKBXIJOKBYGEKW-SCVCMEIPSA-N 0 3 221.300 2.078 20 10 BECDHN CC1(C)C[N@H+](Cc2ccccc2[O-])[C@](C)(CO)C1 ZINC001203550156 966679497 /nfs/dbraw/zinc/67/94/97/966679497.db2.gz KHZWXRYAYIQBDT-HNNXBMFYSA-N 0 3 249.354 2.375 20 10 BECDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])[C@](C)(CO)C1 ZINC001203550156 966679509 /nfs/dbraw/zinc/67/95/09/966679509.db2.gz KHZWXRYAYIQBDT-HNNXBMFYSA-N 0 3 249.354 2.375 20 10 BECDHN Oc1ccccc1CN1CC(N2CCCCC2)C1 ZINC001203558340 966687907 /nfs/dbraw/zinc/68/79/07/966687907.db2.gz GLMDRRUCLYBMHC-UHFFFAOYSA-N 0 3 246.354 2.062 20 10 BECDHN C[C@H]1CCCCN1Cc1ccc(O)c(O)c1 ZINC001203873564 966801593 /nfs/dbraw/zinc/80/15/93/966801593.db2.gz GALBAXDXZQRURP-JTQLQIEISA-N 0 3 221.300 2.472 20 10 BECDHN Oc1ccc(CN2C3CCC2CC3)cc1O ZINC001203882938 966810461 /nfs/dbraw/zinc/81/04/61/966810461.db2.gz XUABVMWEHUGFII-UHFFFAOYSA-N 0 3 219.284 2.225 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001203550305 966935917 /nfs/dbraw/zinc/93/59/17/966935917.db2.gz QYHZQQAPEMZRHM-DOMZBBRYSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2CCCO[C@H]2C1 ZINC001203550305 966935925 /nfs/dbraw/zinc/93/59/25/966935925.db2.gz QYHZQQAPEMZRHM-DOMZBBRYSA-N 0 3 247.338 2.393 20 10 BECDHN C[N@H+](Cc1ccc(O)cc1[O-])C(C)(C)C ZINC001204275492 966951795 /nfs/dbraw/zinc/95/17/95/966951795.db2.gz SUDPYDXNLNHVKC-UHFFFAOYSA-N 0 3 209.289 2.328 20 10 BECDHN C[N@@H+](Cc1ccc(O)cc1[O-])C(C)(C)C ZINC001204275492 966951797 /nfs/dbraw/zinc/95/17/97/966951797.db2.gz SUDPYDXNLNHVKC-UHFFFAOYSA-N 0 3 209.289 2.328 20 10 BECDHN C[C@@]1(CF)CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276364 966960118 /nfs/dbraw/zinc/96/01/18/966960118.db2.gz KWQXLOXXYQMLQL-ZDUSSCGKSA-N 0 3 239.290 2.279 20 10 BECDHN C[C@@]1(CF)CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276364 966960128 /nfs/dbraw/zinc/96/01/28/966960128.db2.gz KWQXLOXXYQMLQL-ZDUSSCGKSA-N 0 3 239.290 2.279 20 10 BECDHN CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000711231915 968004541 /nfs/dbraw/zinc/00/45/41/968004541.db2.gz NVMFKNGSDVFTTH-NEPJUHHUSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@H](O)C[NH2+]Cc1cc2ccccc2cc1[O-] ZINC001251971871 968415341 /nfs/dbraw/zinc/41/53/41/968415341.db2.gz UEBRQMZTOWFZHC-JTQLQIEISA-N 0 3 231.295 2.016 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C/C=C/Cl ZINC001207738365 968872972 /nfs/dbraw/zinc/87/29/72/968872972.db2.gz BGXXUQRELGYRCF-DAFODLJHSA-N 0 3 215.655 2.373 20 10 BECDHN CN1CCC=C(c2ccc3c(c2)OCCN3C)C1 ZINC001241570401 969060541 /nfs/dbraw/zinc/06/05/41/969060541.db2.gz JIIVSXZUAUMMDL-UHFFFAOYSA-N 0 3 244.338 2.234 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000401557951 970700645 /nfs/dbraw/zinc/70/06/45/970700645.db2.gz DZWMHCLMUZZYME-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000401557951 970700659 /nfs/dbraw/zinc/70/06/59/970700659.db2.gz DZWMHCLMUZZYME-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@](C)(CO)C2)c([O-])c1 ZINC001332975966 975349429 /nfs/dbraw/zinc/34/94/29/975349429.db2.gz MKFVRXQDTZBDKX-OAHLLOKOSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@](C)(CO)C2)c([O-])c1 ZINC001332975966 975349436 /nfs/dbraw/zinc/34/94/36/975349436.db2.gz MKFVRXQDTZBDKX-OAHLLOKOSA-N 0 3 249.354 2.295 20 10 BECDHN COc1ccc(CN2CC=CCC2)c(O)c1OC ZINC001333753191 976065207 /nfs/dbraw/zinc/06/52/07/976065207.db2.gz HRNOXHGCAYBXHD-UHFFFAOYSA-N 0 3 249.310 2.171 20 10 BECDHN COc1cccc(O)c1Nc1ccncc1C ZINC001174540219 976830937 /nfs/dbraw/zinc/83/09/37/976830937.db2.gz YNYHSMXCICPVBA-UHFFFAOYSA-N 0 3 230.267 2.270 20 10 BECDHN CCN(C)Cc1ccc(N(C)C)cc1OC ZINC001231849043 977769453 /nfs/dbraw/zinc/76/94/53/977769453.db2.gz MSPJKMANLJQVLL-UHFFFAOYSA-N 0 3 222.332 2.213 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001236784762 979727459 /nfs/dbraw/zinc/72/74/59/979727459.db2.gz ZVLNMPUGRBXFCG-BXUZGUMPSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC001236784762 979727460 /nfs/dbraw/zinc/72/74/60/979727460.db2.gz ZVLNMPUGRBXFCG-BXUZGUMPSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001236784822 979727660 /nfs/dbraw/zinc/72/76/60/979727660.db2.gz BFUMLQPSZXTNGR-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN CCc1ccc(C[N@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001236784822 979727674 /nfs/dbraw/zinc/72/76/74/979727674.db2.gz BFUMLQPSZXTNGR-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN CCc1ccc(C[NH+]2CC(C)C2)c([O-])c1 ZINC001236782858 979730697 /nfs/dbraw/zinc/73/06/97/979730697.db2.gz FXZYAGJUMWOFMI-UHFFFAOYSA-N 0 3 205.301 2.406 20 10 BECDHN CCc1ccc(C[NH+]2CC([C@@H](C)OC)C2)c([O-])c1 ZINC001236788909 979732263 /nfs/dbraw/zinc/73/22/63/979732263.db2.gz SRSWXAHGYDVECJ-LLVKDONJSA-N 0 3 249.354 2.421 20 10 BECDHN CC[C@H]([NH3+])CN(C)Cc1ccc(Cl)cc1[O-] ZINC001236868637 979770903 /nfs/dbraw/zinc/77/09/03/979770903.db2.gz OPCMCBBPBKASPZ-NSHDSACASA-N 0 3 242.750 2.215 20 10 BECDHN CC(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001237045985 979807406 /nfs/dbraw/zinc/80/74/06/979807406.db2.gz OJTQSEQFYYVSQL-NHYWBVRUSA-N 0 3 249.354 2.328 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001237045985 979807411 /nfs/dbraw/zinc/80/74/11/979807411.db2.gz OJTQSEQFYYVSQL-NHYWBVRUSA-N 0 3 249.354 2.328 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001237046987 979808326 /nfs/dbraw/zinc/80/83/26/979808326.db2.gz YEVXUQVXFBMBFB-CYBMUJFWSA-N 0 3 235.327 2.082 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001237046987 979808333 /nfs/dbraw/zinc/80/83/33/979808333.db2.gz YEVXUQVXFBMBFB-CYBMUJFWSA-N 0 3 235.327 2.082 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001237045925 979808717 /nfs/dbraw/zinc/80/87/17/979808717.db2.gz NBGBAMBOMSJAJP-AWEZNQCLSA-N 0 3 249.354 2.472 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001237045925 979808719 /nfs/dbraw/zinc/80/87/19/979808719.db2.gz NBGBAMBOMSJAJP-AWEZNQCLSA-N 0 3 249.354 2.472 20 10 BECDHN C[NH+](C)Cc1c([O-])cccc1OC(F)(F)F ZINC001237120118 979821545 /nfs/dbraw/zinc/82/15/45/979821545.db2.gz MLLCATAVTMSPFV-UHFFFAOYSA-N 0 3 235.205 2.352 20 10 BECDHN CN(C)Cc1c(O)cccc1OC(F)(F)F ZINC001237120118 979821547 /nfs/dbraw/zinc/82/15/47/979821547.db2.gz MLLCATAVTMSPFV-UHFFFAOYSA-N 0 3 235.205 2.352 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC[C@@](C)(O)C1 ZINC001237486217 979908080 /nfs/dbraw/zinc/90/80/80/979908080.db2.gz YHTVYSDIDAXXTB-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCC[C@@](C)(O)C1 ZINC001237486217 979908086 /nfs/dbraw/zinc/90/80/86/979908086.db2.gz YHTVYSDIDAXXTB-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001237486241 979908553 /nfs/dbraw/zinc/90/85/53/979908553.db2.gz ZKXIUOMILAIBOL-IUODEOHRSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(O)[C@H](C)C1 ZINC001237486241 979908558 /nfs/dbraw/zinc/90/85/58/979908558.db2.gz ZKXIUOMILAIBOL-IUODEOHRSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C1CCOCC1 ZINC001237483722 979911609 /nfs/dbraw/zinc/91/16/09/979911609.db2.gz RTQUKWWNJUBGQG-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C1CCOCC1 ZINC001237483722 979911614 /nfs/dbraw/zinc/91/16/14/979911614.db2.gz RTQUKWWNJUBGQG-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN COC[C@H]1CCC[N@@H+]1Cc1c(C)cccc1[O-] ZINC001237482667 979911935 /nfs/dbraw/zinc/91/19/35/979911935.db2.gz NFJXKNQZHRREQD-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN COC[C@H]1CCC[N@H+]1Cc1c(C)cccc1[O-] ZINC001237482667 979911942 /nfs/dbraw/zinc/91/19/42/979911942.db2.gz NFJXKNQZHRREQD-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC2(COC2)C1 ZINC001237485741 979913872 /nfs/dbraw/zinc/91/38/72/979913872.db2.gz RIQOTCBEYCCDGQ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCC2(COC2)C1 ZINC001237485741 979913883 /nfs/dbraw/zinc/91/38/83/979913883.db2.gz RIQOTCBEYCCDGQ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN CCCC[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001252107873 983661341 /nfs/dbraw/zinc/66/13/41/983661341.db2.gz JNAXWTSYZGLYBZ-GFCCVEGCSA-N 0 3 223.316 2.033 20 10 BECDHN C[C@@H]1C[C@@H](C[NH2+]Cc2ccccc2[O-])[C@H](C)O1 ZINC000686515624 985126847 /nfs/dbraw/zinc/12/68/47/985126847.db2.gz UFHCTCKLYODDPQ-MDZLAQPJSA-N 0 3 235.327 2.295 20 10 BECDHN Cn1ccc2c1nccc2C1=CNCCC1 ZINC001243951990 985658052 /nfs/dbraw/zinc/65/80/52/985658052.db2.gz LILQKZIVDYADQX-UHFFFAOYSA-N 0 3 213.284 2.298 20 10 BECDHN CC(C)(C)[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001253729843 986344659 /nfs/dbraw/zinc/34/46/59/986344659.db2.gz LGHYASPQTSPEQP-AWEZNQCLSA-N 0 3 249.354 2.157 20 10 BECDHN CC(C)(C)[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001253729843 986344666 /nfs/dbraw/zinc/34/46/66/986344666.db2.gz LGHYASPQTSPEQP-AWEZNQCLSA-N 0 3 249.354 2.157 20 10 BECDHN Cc1ccc(C)c(CN2CCO[C@@H](C)C2)c1O ZINC001140178214 991552340 /nfs/dbraw/zinc/55/23/40/991552340.db2.gz CTFSOAGDNZJMLZ-LBPRGKRZSA-N 0 3 235.327 2.230 20 10 BECDHN Cc1ccc(C)c(CN2CCOC3(CC3)C2)c1O ZINC001140185003 991556403 /nfs/dbraw/zinc/55/64/03/991556403.db2.gz NXHLNPYHMSYNRJ-UHFFFAOYSA-N 0 3 247.338 2.374 20 10 BECDHN CCO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000701660934 993897060 /nfs/dbraw/zinc/89/70/60/993897060.db2.gz FCJNFOIWZXOSLC-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN CCO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000701660934 993897064 /nfs/dbraw/zinc/89/70/64/993897064.db2.gz FCJNFOIWZXOSLC-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN C[C@@H](Cc1ccco1)[NH2+]Cc1ccc(O)cc1[O-] ZINC000036993625 1170924600 /nfs/dbraw/zinc/92/46/00/1170924600.db2.gz GDJSCBUXUFVGPR-JTQLQIEISA-N 0 3 247.294 2.412 20 10 BECDHN C[C@H](Cc1ccco1)[NH2+]Cc1cccc(O)c1[O-] ZINC000041117116 1171169753 /nfs/dbraw/zinc/16/97/53/1171169753.db2.gz JZCGIVCMWQGZGS-SNVBAGLBSA-N 0 3 247.294 2.412 20 10 BECDHN CC[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1[O-] ZINC000071333052 398147247 /nfs/dbraw/zinc/14/72/47/398147247.db2.gz CUJRETFKMUEXCT-CYBMUJFWSA-N 0 3 245.326 2.367 20 10 BECDHN COC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000296245952 398209435 /nfs/dbraw/zinc/20/94/35/398209435.db2.gz AZNYJGBNBHEANQ-STQMWFEESA-N 0 3 247.338 2.394 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@]2(C)CCOC2)cc1C ZINC000120132054 178196966 /nfs/dbraw/zinc/19/69/66/178196966.db2.gz MVYHCWMOIAWEDS-CQSZACIVSA-N 0 3 235.327 2.278 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)cc1C ZINC000189347894 178197762 /nfs/dbraw/zinc/19/77/62/178197762.db2.gz FMQGBMZMTDRNJS-UONOGXRCSA-N 0 3 249.354 2.258 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](C)CCCO)c1ccccc1[O-] ZINC000296627295 136375961 /nfs/dbraw/zinc/37/59/61/136375961.db2.gz XEECLVNIWURAAT-NWDGAFQWSA-N 0 3 237.343 2.451 20 10 BECDHN COC[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000045656689 343532490 /nfs/dbraw/zinc/53/24/90/343532490.db2.gz ZUVUJQUUNBMKSA-MNOVXSKESA-N 0 3 223.316 2.325 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccccc1[O-] ZINC000049553087 343601996 /nfs/dbraw/zinc/60/19/96/343601996.db2.gz LHAGFDOOSQWRSY-NWDGAFQWSA-N 0 3 236.359 2.383 20 10 BECDHN CC[N@H+](Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000096851201 344382908 /nfs/dbraw/zinc/38/29/08/344382908.db2.gz WVFRNVZVCLANQU-UHFFFAOYSA-N 0 3 237.299 2.351 20 10 BECDHN CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C(C)C ZINC000096851201 344382909 /nfs/dbraw/zinc/38/29/09/344382909.db2.gz WVFRNVZVCLANQU-UHFFFAOYSA-N 0 3 237.299 2.351 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](O)CC ZINC000076073924 344793987 /nfs/dbraw/zinc/79/39/87/344793987.db2.gz ZDGHRZKKYYOKKC-CYBMUJFWSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](O)CC ZINC000076073924 344793991 /nfs/dbraw/zinc/79/39/91/344793991.db2.gz ZDGHRZKKYYOKKC-CYBMUJFWSA-N 0 3 237.343 2.375 20 10 BECDHN Cc1cccc(C[N@H+](CCO)C2CCCC2)c1[O-] ZINC000271716291 179072573 /nfs/dbraw/zinc/07/25/73/179072573.db2.gz CDYODHCQFFFLTR-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[N@@H+](CCO)C2CCCC2)c1[O-] ZINC000271716291 179072576 /nfs/dbraw/zinc/07/25/76/179072576.db2.gz CDYODHCQFFFLTR-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(CN2C[C@H](C)OC[C@@H]2C)c1O ZINC000124542724 179084742 /nfs/dbraw/zinc/08/47/42/179084742.db2.gz JQKWHPGELPGXIK-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc(C[NH2+]CC[C@@H](C)CCO)c1[O-] ZINC000295085457 179092047 /nfs/dbraw/zinc/09/20/47/179092047.db2.gz IQRDYQSXFLPZOL-LLVKDONJSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc(C[NH2+]CCc2nccs2)c1[O-] ZINC000124754866 179092777 /nfs/dbraw/zinc/09/27/77/179092777.db2.gz MYPTXNQUZNYSGB-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000289863768 179093693 /nfs/dbraw/zinc/09/36/93/179093693.db2.gz VMGLGBWIMILOOA-STQMWFEESA-N 0 3 249.354 2.463 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](CO)CC2CCC2)c1[O-] ZINC000279631348 179098750 /nfs/dbraw/zinc/09/87/50/179098750.db2.gz BUFODNIVYXYIGF-CQSZACIVSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+][C@H](C)Cn2ccnc2)c1[O-] ZINC000124706360 179100211 /nfs/dbraw/zinc/10/02/11/179100211.db2.gz LKLFKRRNTDMIMV-GFCCVEGCSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1cccc(C[NH2+][C@H](CO)C(C)(C)C)c1[O-] ZINC000148277994 179101578 /nfs/dbraw/zinc/10/15/78/179101578.db2.gz CVHRJYQYIOMHIL-GFCCVEGCSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc(C[NH2+][C@H](CO)CC2CCC2)c1[O-] ZINC000279631345 179101968 /nfs/dbraw/zinc/10/19/68/179101968.db2.gz BUFODNIVYXYIGF-AWEZNQCLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+][C@H](CO)C2CCCC2)c1[O-] ZINC000290966885 179102030 /nfs/dbraw/zinc/10/20/30/179102030.db2.gz SASPMFXLRBAPFH-CQSZACIVSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000020352506 180379855 /nfs/dbraw/zinc/37/98/55/180379855.db2.gz HMQPPWCTGDQXPU-SNVBAGLBSA-N 0 3 245.326 2.285 20 10 BECDHN CO[C@@H](CNCc1ccc2c(c1)CCO2)C(C)C ZINC000072924508 351764996 /nfs/dbraw/zinc/76/49/96/351764996.db2.gz YXQKFUMFHXHMGL-HNNXBMFYSA-N 0 3 249.354 2.382 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCCO2)c1 ZINC000071408548 187786947 /nfs/dbraw/zinc/78/69/47/187786947.db2.gz NEPBORBIXQUXBM-ZDUSSCGKSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)CCCO)c1 ZINC000294690046 188097346 /nfs/dbraw/zinc/09/73/46/188097346.db2.gz CFTWYXKJYPUMSU-GFCCVEGCSA-N 0 3 237.343 2.199 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)O)c1ccc(C)cc1[O-] ZINC000280224572 188204956 /nfs/dbraw/zinc/20/49/56/188204956.db2.gz UYMREXCVQXEGJN-PWSUYJOCSA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCOC[C@H]2C)c1 ZINC000285418325 188208375 /nfs/dbraw/zinc/20/83/75/188208375.db2.gz GKLPDXROKHJVHF-CHWSQXEVSA-N 0 3 249.354 2.463 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1 ZINC000292861316 188450450 /nfs/dbraw/zinc/45/04/50/188450450.db2.gz ASLJEGUKPJRDMV-IUODEOHRSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(O)c(CN2CCOCC23CCC3)c1 ZINC000093510561 360254156 /nfs/dbraw/zinc/25/41/56/360254156.db2.gz PPDMEECOWLINOF-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000189937495 183093355 /nfs/dbraw/zinc/09/33/55/183093355.db2.gz LUEIXMAUHZYPNS-AAEUAGOBSA-N 0 3 235.327 2.033 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000189937478 183095524 /nfs/dbraw/zinc/09/55/24/183095524.db2.gz LUEIXMAUHZYPNS-WCQYABFASA-N 0 3 235.327 2.033 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCCCO1 ZINC000226586497 183274525 /nfs/dbraw/zinc/27/45/25/183274525.db2.gz GXDSIXRVDYDCDH-LBPRGKRZSA-N 0 3 239.290 2.190 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1CCOCC1)CC2 ZINC000297887915 183296578 /nfs/dbraw/zinc/29/65/78/183296578.db2.gz VLCVOOLTSHTMPY-CYBMUJFWSA-N 0 3 247.338 2.396 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCO1)CC2 ZINC000295939096 183296724 /nfs/dbraw/zinc/29/67/24/183296724.db2.gz KTUUCZHGLYYODG-RYUDHWBXSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)CC2 ZINC000296358472 183296893 /nfs/dbraw/zinc/29/68/93/183296893.db2.gz HYEGSPCEBXXGCB-FRRDWIJNSA-N 0 3 247.338 2.273 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1CCOCC1)CC2 ZINC000297887916 183297297 /nfs/dbraw/zinc/29/72/97/183297297.db2.gz VLCVOOLTSHTMPY-ZDUSSCGKSA-N 0 3 247.338 2.396 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCCOC1)CC2 ZINC000297170143 183297454 /nfs/dbraw/zinc/29/74/54/183297454.db2.gz DKAOPSRPCKDYMW-NEPJUHHUSA-N 0 3 233.311 2.148 20 10 BECDHN CCC[N@H+](CCO)Cc1cc(C)c(C)cc1[O-] ZINC000271053138 169165446 /nfs/dbraw/zinc/16/54/46/169165446.db2.gz XNFOSBSLTDOWFY-UHFFFAOYSA-N 0 3 237.343 2.213 20 10 BECDHN CCC[N@@H+](CCO)Cc1cc(C)c(C)cc1[O-] ZINC000271053138 169165448 /nfs/dbraw/zinc/16/54/48/169165448.db2.gz XNFOSBSLTDOWFY-UHFFFAOYSA-N 0 3 237.343 2.213 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369682909 183302286 /nfs/dbraw/zinc/30/22/86/183302286.db2.gz HWKSNURYTFCKSR-GXTWGEPZSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369682909 183302289 /nfs/dbraw/zinc/30/22/89/183302289.db2.gz HWKSNURYTFCKSR-GXTWGEPZSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000293903222 183302401 /nfs/dbraw/zinc/30/24/01/183302401.db2.gz LFOUEJKYCYWWQC-AWEZNQCLSA-N 0 3 247.338 2.272 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000293903222 183302402 /nfs/dbraw/zinc/30/24/02/183302402.db2.gz LFOUEJKYCYWWQC-AWEZNQCLSA-N 0 3 247.338 2.272 20 10 BECDHN [O-]c1ccccc1C[NH+]1CCC2(CCO2)CC1 ZINC000368519924 183302466 /nfs/dbraw/zinc/30/24/66/183302466.db2.gz RTNMJXVCZZUXGJ-UHFFFAOYSA-N 0 3 233.311 2.147 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCc1ccccn1 ZINC000019916522 183303215 /nfs/dbraw/zinc/30/32/15/183303215.db2.gz JGFFGEWFUWVQEE-UHFFFAOYSA-N 0 3 228.295 2.120 20 10 BECDHN CCCN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000131690155 169202447 /nfs/dbraw/zinc/20/24/47/169202447.db2.gz ZZXORYVVLICWBZ-UHFFFAOYSA-N 0 3 248.370 2.228 20 10 BECDHN CCC[C@@H](CCO)C[NH2+]Cc1ccccc1[O-] ZINC000231393378 169383143 /nfs/dbraw/zinc/38/31/43/169383143.db2.gz QWNXOHIOUZSNSI-LBPRGKRZSA-N 0 3 237.343 2.281 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCN(C)C)c1 ZINC000035628699 383865111 /nfs/dbraw/zinc/86/51/11/383865111.db2.gz CXOGHPNKHUESQS-GFCCVEGCSA-N 0 3 236.359 2.303 20 10 BECDHN CCOCCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037269107 383968079 /nfs/dbraw/zinc/96/80/79/383968079.db2.gz NQLZESPIJOFEAV-LBPRGKRZSA-N 0 3 236.359 2.440 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1[O-] ZINC000037738242 384003723 /nfs/dbraw/zinc/00/37/23/384003723.db2.gz CERLPWLUEVSMQV-QWRGUYRKSA-N 0 3 221.300 2.079 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1[O-] ZINC000037738068 384003801 /nfs/dbraw/zinc/00/38/01/384003801.db2.gz OZUSVYXHPXICGZ-WCQYABFASA-N 0 3 235.327 2.469 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738584 384004429 /nfs/dbraw/zinc/00/44/29/384004429.db2.gz SAQPCAAYTPBTER-NEPJUHHUSA-N 0 3 235.327 2.388 20 10 BECDHN CO[C@@H]1CCC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000091772766 384145159 /nfs/dbraw/zinc/14/51/59/384145159.db2.gz CYOJZOAEVMYOAA-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@@H]1CCC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000091772766 384145168 /nfs/dbraw/zinc/14/51/68/384145168.db2.gz CYOJZOAEVMYOAA-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)C(C)C)c1 ZINC000092392359 384176502 /nfs/dbraw/zinc/17/65/02/384176502.db2.gz JCAFVQRJLRJBCH-DGCLKSJQSA-N 0 3 237.343 2.368 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCc2ccncc2)c1 ZINC000071408021 384165126 /nfs/dbraw/zinc/16/51/26/384165126.db2.gz RHVLHOGVXCFYNO-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN CC[C@@H]([NH2+]CCn1ccnc1)c1ccccc1[O-] ZINC000041119025 384179045 /nfs/dbraw/zinc/17/90/45/384179045.db2.gz NCURDNIDLLIYKP-CYBMUJFWSA-N 0 3 245.326 2.330 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CCO)c([O-])c1 ZINC000132549404 384235414 /nfs/dbraw/zinc/23/54/14/384235414.db2.gz XUARHGIHUBCALW-GHMZBOCLSA-N 0 3 223.316 2.122 20 10 BECDHN CC(C)N(C)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000289857800 384241340 /nfs/dbraw/zinc/24/13/40/384241340.db2.gz QEGCMLUDURLVKS-GFCCVEGCSA-N 0 3 236.359 2.211 20 10 BECDHN Cc1ccc(O)c(CN2CCN(C(C)C)CC2)c1 ZINC000132260946 384223624 /nfs/dbraw/zinc/22/36/24/384223624.db2.gz URTZZRBDZNJTFH-UHFFFAOYSA-N 0 3 248.370 2.227 20 10 BECDHN COC[C@@H](C)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000132677664 384244399 /nfs/dbraw/zinc/24/43/99/384244399.db2.gz WBBKCUTZQASWGM-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN COC[C@@H](C)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000132677664 384244406 /nfs/dbraw/zinc/24/44/06/384244406.db2.gz WBBKCUTZQASWGM-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN Cc1ccc(O)c(CN2CCO[C@@H]3CCC[C@@H]32)c1 ZINC000132759440 384250210 /nfs/dbraw/zinc/25/02/10/384250210.db2.gz MHDYCQOOTFZYHX-DZGCQCFKSA-N 0 3 247.338 2.454 20 10 BECDHN CCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879153 384251630 /nfs/dbraw/zinc/25/16/30/384251630.db2.gz IDMDAOURETUEAQ-UHFFFAOYSA-N 0 3 223.272 2.011 20 10 BECDHN C[C@H]([NH2+]Cc1ccnn1C)c1cc(F)ccc1[O-] ZINC000094618195 384306059 /nfs/dbraw/zinc/30/60/59/384306059.db2.gz OXCBMTLJQWWELA-VIFPVBQESA-N 0 3 249.289 2.116 20 10 BECDHN C[C@@H](CCN(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297598546 384307002 /nfs/dbraw/zinc/30/70/02/384307002.db2.gz HXJBMZKTLNPFDQ-AAEUAGOBSA-N 0 3 248.370 2.309 20 10 BECDHN C[C@H]([NH2+]Cc1cnn(C)c1)c1cc(F)ccc1[O-] ZINC000094617847 384307073 /nfs/dbraw/zinc/30/70/73/384307073.db2.gz LPBPRMLUIWNVES-VIFPVBQESA-N 0 3 249.289 2.116 20 10 BECDHN C[C@H](C[NH2+][C@@H](C)c1cc(F)ccc1[O-])N(C)C ZINC000094617784 384307519 /nfs/dbraw/zinc/30/75/19/384307519.db2.gz XMYUQNZCBNJGAL-ZJUUUORDSA-N 0 3 240.322 2.132 20 10 BECDHN COC[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618017 384308286 /nfs/dbraw/zinc/30/82/86/384308286.db2.gz DTYRLMUKTXIPSO-UWVGGRQHSA-N 0 3 241.306 2.464 20 10 BECDHN C[C@H](CCCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094942583 384320152 /nfs/dbraw/zinc/32/01/52/384320152.db2.gz XIPLNBHROPMHEP-ZJUUUORDSA-N 0 3 241.306 2.343 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CO)c([O-])c1C ZINC000134914079 384397509 /nfs/dbraw/zinc/39/75/09/384397509.db2.gz JTHYPPRAYPZDCP-KOLCDFICSA-N 0 3 223.316 2.040 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCCO1 ZINC000096477922 384461420 /nfs/dbraw/zinc/46/14/20/384461420.db2.gz IFDPVIVHQXUIAG-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCCO1 ZINC000096477922 384461425 /nfs/dbraw/zinc/46/14/25/384461425.db2.gz IFDPVIVHQXUIAG-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CCO)c1 ZINC000097436270 384519967 /nfs/dbraw/zinc/51/99/67/384519967.db2.gz LLYJCXDCVARJDR-VXGBXAGGSA-N 0 3 237.343 2.370 20 10 BECDHN CC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020196015 384596245 /nfs/dbraw/zinc/59/62/45/384596245.db2.gz KWMQUUMVXOUONX-QWRGUYRKSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@@H](O)C[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184829145 384653699 /nfs/dbraw/zinc/65/36/99/384653699.db2.gz QUPHYQLLQQYSOI-GHMZBOCLSA-N 0 3 249.354 2.302 20 10 BECDHN C[C@@H]([NH2+]C[C@H](C)O)c1cc2c(cc1[O-])CCCC2 ZINC000184829125 384654296 /nfs/dbraw/zinc/65/42/96/384654296.db2.gz QUPHYQLLQQYSOI-WDEREUQCSA-N 0 3 249.354 2.302 20 10 BECDHN COC[C@@H](C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162832989 384691711 /nfs/dbraw/zinc/69/17/11/384691711.db2.gz ZHZMAPBXFGHLQV-JTQLQIEISA-N 0 3 223.316 2.073 20 10 BECDHN C[N@H+](CCC1CC1)Cc1cc2c(cc1[O-])OCO2 ZINC000162874083 384700228 /nfs/dbraw/zinc/70/02/28/384700228.db2.gz YFPKLLMXVRYLFI-UHFFFAOYSA-N 0 3 249.310 2.353 20 10 BECDHN C[N@@H+](CCC1CC1)Cc1cc2c(cc1[O-])OCO2 ZINC000162874083 384700234 /nfs/dbraw/zinc/70/02/34/384700234.db2.gz YFPKLLMXVRYLFI-UHFFFAOYSA-N 0 3 249.310 2.353 20 10 BECDHN CC[C@@H]([NH2+]CC(C)(C)O)c1ccccc1[O-] ZINC000083461447 384773855 /nfs/dbraw/zinc/77/38/55/384773855.db2.gz KSLFBVCENOEVTH-LLVKDONJSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)CO)c1ccccc1[O-] ZINC000083219985 384753958 /nfs/dbraw/zinc/75/39/58/384753958.db2.gz HXTIXRDDFWQZEC-CMPLNLGQSA-N 0 3 223.316 2.061 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)CO)c1ccccc1[O-] ZINC000083219982 384756069 /nfs/dbraw/zinc/75/60/69/384756069.db2.gz HXTIXRDDFWQZEC-PWSUYJOCSA-N 0 3 223.316 2.061 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1[O-] ZINC000186790408 384885299 /nfs/dbraw/zinc/88/52/99/384885299.db2.gz FTQQCDKBHHFZSZ-ZKYQVNSYSA-N 0 3 235.327 2.346 20 10 BECDHN CCC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163978982 384888485 /nfs/dbraw/zinc/88/84/85/384888485.db2.gz MPEBLRXMSQIMEH-QWRGUYRKSA-N 0 3 223.316 2.204 20 10 BECDHN CCC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000163979322 384888516 /nfs/dbraw/zinc/88/85/16/384888516.db2.gz MPEBLRXMSQIMEH-GHMZBOCLSA-N 0 3 223.316 2.204 20 10 BECDHN CO[C@H](C)[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000189125360 385128351 /nfs/dbraw/zinc/12/83/51/385128351.db2.gz GJUREHQQUJQBIV-WDEREUQCSA-N 0 3 235.327 2.135 20 10 BECDHN CCC1([NH2+]Cc2cccc(OC)c2[O-])CC1 ZINC000294725584 385148201 /nfs/dbraw/zinc/14/82/01/385148201.db2.gz FXJPOWHAYBPLNK-UHFFFAOYSA-N 0 3 221.300 2.433 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)O)c1ccc(C)cc1[O-] ZINC000280224561 385282874 /nfs/dbraw/zinc/28/28/74/385282874.db2.gz UYMREXCVQXEGJN-CMPLNLGQSA-N 0 3 223.316 2.122 20 10 BECDHN CC[C@H]([NH2+]CCCO)c1ccc(C)cc1[O-] ZINC000280258219 385288169 /nfs/dbraw/zinc/28/81/69/385288169.db2.gz XBIAEJNUDMQNPY-LBPRGKRZSA-N 0 3 223.316 2.124 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCCCO)c1 ZINC000295088794 385430896 /nfs/dbraw/zinc/43/08/96/385430896.db2.gz RHEBZGQPBNPBLC-LBPRGKRZSA-N 0 3 237.343 2.341 20 10 BECDHN C[C@@H](CCO)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000295203882 385492053 /nfs/dbraw/zinc/49/20/53/385492053.db2.gz ZCTVIUSTIMKRBI-SNVBAGLBSA-N 0 3 241.306 2.030 20 10 BECDHN Cc1c(C[NH2+][C@@H](C)c2ccccc2[O-])cnn1C ZINC000179900444 385497593 /nfs/dbraw/zinc/49/75/93/385497593.db2.gz CYVWVLKEQVFONA-JTQLQIEISA-N 0 3 245.326 2.285 20 10 BECDHN CCC[C@H](C[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000293543846 385637087 /nfs/dbraw/zinc/63/70/87/385637087.db2.gz AXESODIXAUUOJK-GFCCVEGCSA-N 0 3 241.306 2.436 20 10 BECDHN CC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000229964510 385694497 /nfs/dbraw/zinc/69/44/97/385694497.db2.gz XMKBIQPBYDDCBZ-QWRGUYRKSA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CCO)C(C)C)c1 ZINC000230690476 385750218 /nfs/dbraw/zinc/75/02/18/385750218.db2.gz WNUJYOSRQPHEJR-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN CCCC[N@H+](CCCO)Cc1ccccc1[O-] ZINC000282428785 385761120 /nfs/dbraw/zinc/76/11/20/385761120.db2.gz JXBTYWGAIJFMPJ-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN CCCC[N@@H+](CCCO)Cc1ccccc1[O-] ZINC000282428785 385761126 /nfs/dbraw/zinc/76/11/26/385761126.db2.gz JXBTYWGAIJFMPJ-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H](CO)C(C)(C)C ZINC000271246473 385811093 /nfs/dbraw/zinc/81/10/93/385811093.db2.gz CPQDUQZBXPTSBQ-CYBMUJFWSA-N 0 3 237.343 2.231 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H](CO)C(C)(C)C ZINC000271246473 385811096 /nfs/dbraw/zinc/81/10/96/385811096.db2.gz CPQDUQZBXPTSBQ-CYBMUJFWSA-N 0 3 237.343 2.231 20 10 BECDHN C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1[O-] ZINC000272575953 385914651 /nfs/dbraw/zinc/91/46/51/385914651.db2.gz UKFLWOWDQVOLTG-LBPRGKRZSA-N 0 3 245.326 2.157 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CO)c([O-])c1C ZINC000273399475 385994872 /nfs/dbraw/zinc/99/48/72/385994872.db2.gz MTAWWMCLWVFSGJ-SKDRFNHKSA-N 0 3 237.343 2.288 20 10 BECDHN CS[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000295026993 385946452 /nfs/dbraw/zinc/94/64/52/385946452.db2.gz LFFFRZZJXSUDKD-LLVKDONJSA-N 0 3 223.341 2.330 20 10 BECDHN CS[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000295026993 385946454 /nfs/dbraw/zinc/94/64/54/385946454.db2.gz LFFFRZZJXSUDKD-LLVKDONJSA-N 0 3 223.341 2.330 20 10 BECDHN C[C@]1([NH2+]Cc2ccccc2[O-])CCO[C@H]1C1CC1 ZINC000273057722 385963013 /nfs/dbraw/zinc/96/30/13/385963013.db2.gz DKXYRUXQJSLAII-GJZGRUSLSA-N 0 3 247.338 2.439 20 10 BECDHN CC[C@@H]([NH2+]CCN(C)C)c1ccc(C)cc1[O-] ZINC000286903059 386083265 /nfs/dbraw/zinc/08/32/65/386083265.db2.gz DQVQWTCRIFEOIS-CYBMUJFWSA-N 0 3 236.359 2.303 20 10 BECDHN CO[C@H](C)CNCc1ccc(N(C)C)c(F)c1 ZINC000276218326 386286695 /nfs/dbraw/zinc/28/66/95/386286695.db2.gz QCICSYVTZUILRV-SNVBAGLBSA-N 0 3 240.322 2.016 20 10 BECDHN C[C@@H](CO)[N@@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000289389214 386294891 /nfs/dbraw/zinc/29/48/91/386294891.db2.gz NIQDWKIRTPAYJQ-LBPRGKRZSA-N 0 3 249.354 2.375 20 10 BECDHN C[C@@H](CO)[N@H+](Cc1ccccc1[O-])CC1CCC1 ZINC000289389214 386294893 /nfs/dbraw/zinc/29/48/93/386294893.db2.gz NIQDWKIRTPAYJQ-LBPRGKRZSA-N 0 3 249.354 2.375 20 10 BECDHN CCC[C@@](C)(O)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000226648565 386353573 /nfs/dbraw/zinc/35/35/73/386353573.db2.gz LMLPUOUOXAKUMP-CQSZACIVSA-N 0 3 237.343 2.341 20 10 BECDHN COC[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000265857859 386378666 /nfs/dbraw/zinc/37/86/66/386378666.db2.gz WOZQYZKZQDMUSO-CYBMUJFWSA-N 0 3 249.354 2.477 20 10 BECDHN COC[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000265857859 386378675 /nfs/dbraw/zinc/37/86/75/386378675.db2.gz WOZQYZKZQDMUSO-CYBMUJFWSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@@H](C)O)c([O-])c1 ZINC000293677465 386670901 /nfs/dbraw/zinc/67/09/01/386670901.db2.gz KCLJLYKIBCGRFD-NEPJUHHUSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](O)CC2)c1 ZINC000293991662 386672758 /nfs/dbraw/zinc/67/27/58/386672758.db2.gz LQGXGXBAZYKARE-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC000293991662 386672765 /nfs/dbraw/zinc/67/27/65/386672765.db2.gz LQGXGXBAZYKARE-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1c(CN(C)Cc2ccccc2O)cnn1C ZINC000268874190 386710171 /nfs/dbraw/zinc/71/01/71/386710171.db2.gz AMDHJKFOJMYBSA-UHFFFAOYSA-N 0 3 245.326 2.066 20 10 BECDHN C[C@H](NCC1=NOCC1)c1ccc(N(C)C)cc1 ZINC001645342038 1172655745 /nfs/dbraw/zinc/65/57/45/1172655745.db2.gz ZAMIREXAZFMRKH-NSHDSACASA-N 0 3 247.342 2.180 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c1 ZINC000292861320 387216900 /nfs/dbraw/zinc/21/69/00/387216900.db2.gz ASLJEGUKPJRDMV-SWLSCSKDSA-N 0 3 249.354 2.341 20 10 BECDHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000527803644 387726120 /nfs/dbraw/zinc/72/61/20/387726120.db2.gz HULHIWYVYBFMTK-KZWBYHQPSA-N 0 3 235.327 2.294 20 10 BECDHN C[C@@H]([NH2+]CC12CC(C1)CO2)c1ccccc1[O-] ZINC000527985278 387802265 /nfs/dbraw/zinc/80/22/65/387802265.db2.gz UQLMRCGGNXMFPJ-CDWSIMAYSA-N 0 3 233.311 2.222 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCN(C)C)c([O-])c1 ZINC000294002604 177870825 /nfs/dbraw/zinc/87/08/25/177870825.db2.gz CSAZPMJMKCNCIP-GFCCVEGCSA-N 0 3 236.359 2.221 20 10 BECDHN CC(C)(CO)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000294808860 388404888 /nfs/dbraw/zinc/40/48/88/388404888.db2.gz NPEJCDKPZMPUNV-UHFFFAOYSA-N 0 3 241.306 2.030 20 10 BECDHN CO[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000293729342 388391657 /nfs/dbraw/zinc/39/16/57/388391657.db2.gz RFBMHFCPHPWFPT-OCCSQVGLSA-N 0 3 247.338 2.394 20 10 BECDHN C[C@@H](CCCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000294748083 388403503 /nfs/dbraw/zinc/40/35/03/388403503.db2.gz HVLIRHDSRNPJJW-JTQLQIEISA-N 0 3 241.306 2.030 20 10 BECDHN C[C@@H](CC(C)(C)O)[NH2+]Cc1ccccc1[O-] ZINC000295116525 388409323 /nfs/dbraw/zinc/40/93/23/388409323.db2.gz VVYVNRTXZYEGLW-JTQLQIEISA-N 0 3 223.316 2.031 20 10 BECDHN CO[C@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296331513 388421485 /nfs/dbraw/zinc/42/14/85/388421485.db2.gz GHQWYFYOBOSRCE-KOLCDFICSA-N 0 3 221.300 2.004 20 10 BECDHN CO[C@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296331516 388422006 /nfs/dbraw/zinc/42/20/06/388422006.db2.gz GHQWYFYOBOSRCE-MWLCHTKSSA-N 0 3 221.300 2.004 20 10 BECDHN CC[C@H](CCO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297625812 388430912 /nfs/dbraw/zinc/43/09/12/388430912.db2.gz JBYNRZCFBRIEAH-DGCLKSJQSA-N 0 3 249.354 2.378 20 10 BECDHN C[C@H](N[C@H]1CC[NH2+]C12CCC2)c1ccccc1[O-] ZINC000530219807 388631784 /nfs/dbraw/zinc/63/17/84/388631784.db2.gz MZUIHFKIRQTVQY-FZMZJTMJSA-N 0 3 246.354 2.327 20 10 BECDHN CS[C@@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226617151 388723812 /nfs/dbraw/zinc/72/38/12/388723812.db2.gz QBBJVWGJMRJBTB-QMMMGPOBSA-N 0 3 229.320 2.372 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC000367047429 136112289 /nfs/dbraw/zinc/11/22/89/136112289.db2.gz JCEPALIPSQCXHV-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@]23CCOC3)c1 ZINC000367047429 136112290 /nfs/dbraw/zinc/11/22/90/136112290.db2.gz JCEPALIPSQCXHV-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1CC1 ZINC000179947574 397854524 /nfs/dbraw/zinc/85/45/24/397854524.db2.gz JICXSYQYBUCUDD-UHFFFAOYSA-N 0 3 209.264 2.373 20 10 BECDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1CC1 ZINC000179947574 397854526 /nfs/dbraw/zinc/85/45/26/397854526.db2.gz JICXSYQYBUCUDD-UHFFFAOYSA-N 0 3 209.264 2.373 20 10 BECDHN CC1(C)[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000179579960 168013327 /nfs/dbraw/zinc/01/33/27/168013327.db2.gz VDCQKUVQQPFZIV-TXEJJXNPSA-N 0 3 217.312 2.480 20 10 BECDHN CC1(C)[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000179579960 168013330 /nfs/dbraw/zinc/01/33/30/168013330.db2.gz VDCQKUVQQPFZIV-TXEJJXNPSA-N 0 3 217.312 2.480 20 10 BECDHN CC1([NH2+]Cc2cc3c(cc2[O-])OCO3)CCC1 ZINC000159918706 168063130 /nfs/dbraw/zinc/06/31/30/168063130.db2.gz NQWCIWIPNZMMFQ-UHFFFAOYSA-N 0 3 235.283 2.153 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)CCCCCO)c1 ZINC000279433666 411448482 /nfs/dbraw/zinc/44/84/82/411448482.db2.gz OHIIWXNSOJGCRI-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)CCCCCO)c1 ZINC000279433666 411448485 /nfs/dbraw/zinc/44/84/85/411448485.db2.gz OHIIWXNSOJGCRI-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN CCOC1CC([N@H+](C)Cc2ccccc2[O-])C1 ZINC000278585810 170328607 /nfs/dbraw/zinc/32/86/07/170328607.db2.gz KPUZMRUEHRNWGC-UHFFFAOYSA-N 0 3 235.327 2.392 20 10 BECDHN CCOC1CC([N@@H+](C)Cc2ccccc2[O-])C1 ZINC000278585810 170328609 /nfs/dbraw/zinc/32/86/09/170328609.db2.gz KPUZMRUEHRNWGC-UHFFFAOYSA-N 0 3 235.327 2.392 20 10 BECDHN CCOCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295982204 170382176 /nfs/dbraw/zinc/38/21/76/170382176.db2.gz NGYXIPFZTBUFHR-GFCCVEGCSA-N 0 3 235.327 2.396 20 10 BECDHN CCOCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295982208 170383357 /nfs/dbraw/zinc/38/33/57/170383357.db2.gz NGYXIPFZTBUFHR-LBPRGKRZSA-N 0 3 235.327 2.396 20 10 BECDHN CC[C@@H]1CCN1Cc1cc2c(cc1O)OCO2 ZINC000291816022 171024484 /nfs/dbraw/zinc/02/44/84/171024484.db2.gz DMLVVBDUAKMFLE-SNVBAGLBSA-N 0 3 235.283 2.105 20 10 BECDHN CC[C@@](C)(CCO)[NH2+]Cc1cccc(C)c1[O-] ZINC000224906845 171165091 /nfs/dbraw/zinc/16/50/91/171165091.db2.gz SYRQLUZYJWMWIL-AWEZNQCLSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@@](C)(O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618375 171183676 /nfs/dbraw/zinc/18/36/76/171183676.db2.gz OHIGBBFVRRXDBX-TVQRCGJNSA-N 0 3 241.306 2.343 20 10 BECDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000191012510 171213545 /nfs/dbraw/zinc/21/35/45/171213545.db2.gz NINWNWMXCCTENU-AWEZNQCLSA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@@]1(CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000191012510 171213547 /nfs/dbraw/zinc/21/35/47/171213547.db2.gz NINWNWMXCCTENU-AWEZNQCLSA-N 0 3 235.327 2.129 20 10 BECDHN CN(C)c1ccc(CNCc2cccn2C)cc1 ZINC000020360533 172553126 /nfs/dbraw/zinc/55/31/26/172553126.db2.gz JNUGVXGVRWHPKP-UHFFFAOYSA-N 0 3 243.354 2.381 20 10 BECDHN COCC1([NH2+]Cc2ccccc2[O-])CCC1 ZINC000283833410 174110046 /nfs/dbraw/zinc/11/00/46/174110046.db2.gz FGEXFMGZFQSDEU-UHFFFAOYSA-N 0 3 221.300 2.051 20 10 BECDHN COCCCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226588126 174183581 /nfs/dbraw/zinc/18/35/81/174183581.db2.gz HJICTZCAQPAAJM-UHFFFAOYSA-N 0 3 241.306 2.438 20 10 BECDHN COCCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111335 174249010 /nfs/dbraw/zinc/24/90/10/174249010.db2.gz FBIYYDZTKJLLQL-VIFPVBQESA-N 0 3 227.279 2.218 20 10 BECDHN COc1ccc(CNCc2ccco2)c(O)c1 ZINC000040905571 175108288 /nfs/dbraw/zinc/10/82/88/175108288.db2.gz WDEAIVXPBDEBBS-UHFFFAOYSA-N 0 3 233.267 2.284 20 10 BECDHN COc1ccc(CN[C@@]2(C)CCOC2)cc1C ZINC000160180979 175110935 /nfs/dbraw/zinc/11/09/35/175110935.db2.gz YJCZXTRLYXAGED-AWEZNQCLSA-N 0 3 235.327 2.272 20 10 BECDHN COc1ccc(O)c([C@@H](C)NCCF)c1 ZINC000271855365 175160336 /nfs/dbraw/zinc/16/03/36/175160336.db2.gz SFWPYHZPLWMVTI-MRVPVSSYSA-N 0 3 213.252 2.021 20 10 BECDHN COc1cccc(C[N@H+](C)CC2CC2)c1[O-] ZINC000122930959 175256018 /nfs/dbraw/zinc/25/60/18/175256018.db2.gz RWVXJZDFSWZHOF-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc(C[N@@H+](C)CC2CC2)c1[O-] ZINC000122930959 175256020 /nfs/dbraw/zinc/25/60/20/175256020.db2.gz RWVXJZDFSWZHOF-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc(C[N@@H+]2CC[C@H](C)C2)c1[O-] ZINC000132668325 175259803 /nfs/dbraw/zinc/25/98/03/175259803.db2.gz ORBCCTSDSUJLLU-JTQLQIEISA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc(C[N@H+]2CC[C@H](C)C2)c1[O-] ZINC000132668325 175259805 /nfs/dbraw/zinc/25/98/05/175259805.db2.gz ORBCCTSDSUJLLU-JTQLQIEISA-N 0 3 221.300 2.243 20 10 BECDHN C[C@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2[O-])O1 ZINC000190861001 177189349 /nfs/dbraw/zinc/18/93/49/177189349.db2.gz RYTOPCITNQFVAQ-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2[O-])O1 ZINC000190861001 177189350 /nfs/dbraw/zinc/18/93/50/177189350.db2.gz RYTOPCITNQFVAQ-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1CO[C@@H](C)CN1Cc1ccccc1O ZINC000132611576 177266371 /nfs/dbraw/zinc/26/63/71/177266371.db2.gz YBIJZSUQEIAVTR-MNOVXSKESA-N 0 3 221.300 2.001 20 10 BECDHN COc1ccc([O-])c(C[NH2+]CC2CC=CC2)c1 ZINC000529643340 324370754 /nfs/dbraw/zinc/37/07/54/324370754.db2.gz ZSRSGLOWYZPVDR-UHFFFAOYSA-N 0 3 233.311 2.457 20 10 BECDHN COc1ccc(C[N@H+](C)C(C)C)c([O-])c1OC ZINC000891450290 582689284 /nfs/dbraw/zinc/68/92/84/582689284.db2.gz GFLHHKNUQULSOE-UHFFFAOYSA-N 0 3 239.315 2.250 20 10 BECDHN COc1ccc(C[N@@H+](C)C(C)C)c([O-])c1OC ZINC000891450290 582689289 /nfs/dbraw/zinc/68/92/89/582689289.db2.gz GFLHHKNUQULSOE-UHFFFAOYSA-N 0 3 239.315 2.250 20 10 BECDHN C[NH2+]C[C@@H](C)NCc1cc(Cl)cc(C)c1[O-] ZINC000853249733 588729088 /nfs/dbraw/zinc/72/90/88/588729088.db2.gz VKVAXWFMJMDPTH-SECBINFHSA-N 0 3 242.750 2.052 20 10 BECDHN CC[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000112465872 588799247 /nfs/dbraw/zinc/79/92/47/588799247.db2.gz IQRRNOGBMLZJNI-NSHDSACASA-N 0 3 249.310 2.495 20 10 BECDHN CC[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000112465872 588799248 /nfs/dbraw/zinc/79/92/48/588799248.db2.gz IQRRNOGBMLZJNI-NSHDSACASA-N 0 3 249.310 2.495 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C/C=C/CO)c([O-])c1C ZINC000850510269 582923628 /nfs/dbraw/zinc/92/36/28/582923628.db2.gz WYTGRPFFUNKXHL-ZYOFXKKJSA-N 0 3 235.327 2.208 20 10 BECDHN COC[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000113310991 583102944 /nfs/dbraw/zinc/10/29/44/583102944.db2.gz XTXICMOZWODFIH-SNVBAGLBSA-N 0 3 240.322 2.016 20 10 BECDHN Cc1cccc(C[N@@H+]2CCCCC[C@@H]2CO)c1[O-] ZINC000895151372 583606793 /nfs/dbraw/zinc/60/67/93/583606793.db2.gz TXGLNSOJSKEJRA-CQSZACIVSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc(C[N@H+]2CCCCC[C@@H]2CO)c1[O-] ZINC000895151372 583606795 /nfs/dbraw/zinc/60/67/95/583606795.db2.gz TXGLNSOJSKEJRA-CQSZACIVSA-N 0 3 249.354 2.438 20 10 BECDHN CC1=NO[C@H](CNCc2cc(C)c(C)cc2O)C1 ZINC000895308334 583645841 /nfs/dbraw/zinc/64/58/41/583645841.db2.gz JPTASDUNNSRRCE-ZDUSSCGKSA-N 0 3 248.326 2.263 20 10 BECDHN Cc1ccc(C[N@H+](C)CCCF)c([O-])c1 ZINC000895895836 583743543 /nfs/dbraw/zinc/74/35/43/583743543.db2.gz FFQMOTINTONFEJ-UHFFFAOYSA-N 0 3 211.280 2.492 20 10 BECDHN Cc1ccc(C[N@@H+](C)CCCF)c([O-])c1 ZINC000895895836 583743544 /nfs/dbraw/zinc/74/35/44/583743544.db2.gz FFQMOTINTONFEJ-UHFFFAOYSA-N 0 3 211.280 2.492 20 10 BECDHN Cc1ccc(C[N@@H+]2CCO[C@@H](C)CC2)c([O-])c1 ZINC000896579057 583814497 /nfs/dbraw/zinc/81/44/97/583814497.db2.gz MQBHDLFPCPZEKF-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CCO[C@@H](C)CC2)c([O-])c1 ZINC000896579057 583814498 /nfs/dbraw/zinc/81/44/98/583814498.db2.gz MQBHDLFPCPZEKF-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)c([O-])c1 ZINC000898377434 584114071 /nfs/dbraw/zinc/11/40/71/584114071.db2.gz VABUBLBMUOUCTF-KBPBESRZSA-N 0 3 247.338 2.215 20 10 BECDHN Cl/C=C\CNCc1ccc2c(c1)CCO2 ZINC000898435987 584135984 /nfs/dbraw/zinc/13/59/84/584135984.db2.gz OXLILAHYTKCMBO-KTAJNNJTSA-N 0 3 223.703 2.464 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(N)CC2)c([O-])c1 ZINC000902406139 584573974 /nfs/dbraw/zinc/57/39/74/584573974.db2.gz LWPJYFCOFFTMGZ-LLVKDONJSA-N 0 3 234.343 2.151 20 10 BECDHN CC[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[O-] ZINC000902470288 584616368 /nfs/dbraw/zinc/61/63/68/584616368.db2.gz WFUHNYVHZXCHPE-IGHBBLSQSA-N 0 3 246.354 2.326 20 10 BECDHN Cc1ccc([C@@H](C)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c([O-])c1 ZINC000902469897 584616578 /nfs/dbraw/zinc/61/65/78/584616578.db2.gz SJXZRWSFWVZKRA-ZMJPVWNMSA-N 0 3 246.354 2.244 20 10 BECDHN C[C@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1[O-] ZINC000903287105 584745873 /nfs/dbraw/zinc/74/58/73/584745873.db2.gz AADUTRPDXVZVRE-KVMADOOQSA-N 0 3 245.322 2.219 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CCN2C)c([O-])c1 ZINC000903315892 584749735 /nfs/dbraw/zinc/74/97/35/584749735.db2.gz ABCLAERTGUNCLM-QWHCGFSZSA-N 0 3 248.370 2.364 20 10 BECDHN CC[C@H]([NH2+]C[C@H]1CCN1C)c1ccc(C)cc1[O-] ZINC000903315919 584749737 /nfs/dbraw/zinc/74/97/37/584749737.db2.gz AFCAURFNBPZJND-OCCSQVGLSA-N 0 3 248.370 2.445 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H](O)C1CC1)CC2 ZINC000903407485 584758686 /nfs/dbraw/zinc/75/86/86/584758686.db2.gz OPZSXGOCKDNMNV-OLZOCXBDSA-N 0 3 247.338 2.130 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H](O)C1CC1)CC2 ZINC000903407486 584758700 /nfs/dbraw/zinc/75/87/00/584758700.db2.gz OPZSXGOCKDNMNV-QWHCGFSZSA-N 0 3 247.338 2.130 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C[C@H]1CCOC1 ZINC000876788589 584886799 /nfs/dbraw/zinc/88/67/99/584886799.db2.gz FSUIVZMJKPJARP-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCOC1 ZINC000876788589 584886800 /nfs/dbraw/zinc/88/68/00/584886800.db2.gz FSUIVZMJKPJARP-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)c([O-])c1 ZINC000877062977 584889370 /nfs/dbraw/zinc/88/93/70/584889370.db2.gz AAEHSJWPLHXJJM-YPMHNXCESA-N 0 3 235.327 2.215 20 10 BECDHN COCCC1CN(Cc2ccc(N(C)C)cc2)C1 ZINC000826898802 584896428 /nfs/dbraw/zinc/89/64/28/584896428.db2.gz AAKJLGVDOSDONO-UHFFFAOYSA-N 0 3 248.370 2.221 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000827700665 584900683 /nfs/dbraw/zinc/90/06/83/584900683.db2.gz WOAMURYYSCYKAY-SWLSCSKDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@@](C)(CO)C2)c1 ZINC000827700665 584900684 /nfs/dbraw/zinc/90/06/84/584900684.db2.gz WOAMURYYSCYKAY-SWLSCSKDSA-N 0 3 249.354 2.151 20 10 BECDHN CC[C@@H](N)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000817980068 584994535 /nfs/dbraw/zinc/99/45/35/584994535.db2.gz RACLEPHSZDDBHW-YPMHNXCESA-N 0 3 236.359 2.479 20 10 BECDHN CCO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000839147540 585092328 /nfs/dbraw/zinc/09/23/28/585092328.db2.gz MOSDHJAQJWCLMS-TXEJJXNPSA-N 0 3 221.300 2.049 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC000839137650 585094633 /nfs/dbraw/zinc/09/46/33/585094633.db2.gz GPWYEUAYSFEUPQ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc(O)c(CN2CC3(C2)CCCOC3)c1 ZINC000839137650 585094634 /nfs/dbraw/zinc/09/46/34/585094634.db2.gz GPWYEUAYSFEUPQ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN CCN(C)c1ccc(CN2CCC[C@H](O)C2)cc1 ZINC000741753402 585117473 /nfs/dbraw/zinc/11/74/73/585117473.db2.gz XLTMHHQVHNRTIM-HNNXBMFYSA-N 0 3 248.370 2.099 20 10 BECDHN CO[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000751946531 585239393 /nfs/dbraw/zinc/23/93/93/585239393.db2.gz VXJNIUZYFVFPOR-AWEZNQCLSA-N 0 3 247.338 2.102 20 10 BECDHN CO[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])CCC3)C1 ZINC000751946531 585239394 /nfs/dbraw/zinc/23/93/94/585239394.db2.gz VXJNIUZYFVFPOR-AWEZNQCLSA-N 0 3 247.338 2.102 20 10 BECDHN CC1=CCN(Cc2cc3c(cc2O)OCO3)CC1 ZINC000755767628 585306500 /nfs/dbraw/zinc/30/65/00/585306500.db2.gz JUUYKMRVEYFGRX-UHFFFAOYSA-N 0 3 247.294 2.273 20 10 BECDHN C[C@H]1C[C@@H]([NH2+]CCCO)c2c1c(F)ccc2[O-] ZINC000756343769 585317984 /nfs/dbraw/zinc/31/79/84/585317984.db2.gz OAZRDTWGBBNGHZ-WCBMZHEXSA-N 0 3 239.290 2.052 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](C)C1 ZINC000769102580 585549174 /nfs/dbraw/zinc/54/91/74/585549174.db2.gz OMFCTVRKEOYUQW-JTQLQIEISA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](C)C1 ZINC000769102580 585549175 /nfs/dbraw/zinc/54/91/75/585549175.db2.gz OMFCTVRKEOYUQW-JTQLQIEISA-N 0 3 221.300 2.243 20 10 BECDHN Cc1cc([O-])c(C[N@H+](CCCO)C2CC2)cc1C ZINC000769404648 585555687 /nfs/dbraw/zinc/55/56/87/585555687.db2.gz MZPFSAMNUCOCAN-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](CCCO)C2CC2)cc1C ZINC000769404648 585555688 /nfs/dbraw/zinc/55/56/88/585555688.db2.gz MZPFSAMNUCOCAN-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN COc1cccc([O-])c1C[N@H+](C)C1CCC1 ZINC000769443340 585556667 /nfs/dbraw/zinc/55/66/67/585556667.db2.gz XFTHARSTBDXUHN-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc([O-])c1C[N@@H+](C)C1CCC1 ZINC000769443340 585556668 /nfs/dbraw/zinc/55/66/68/585556668.db2.gz XFTHARSTBDXUHN-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CC(C)(C)C[N@H+](CCO)Cc1ccccc1[O-] ZINC000770510853 585575253 /nfs/dbraw/zinc/57/52/53/585575253.db2.gz SDFCFXAFWNUGON-UHFFFAOYSA-N 0 3 237.343 2.233 20 10 BECDHN CC(C)(C)C[N@@H+](CCO)Cc1ccccc1[O-] ZINC000770510853 585575254 /nfs/dbraw/zinc/57/52/54/585575254.db2.gz SDFCFXAFWNUGON-UHFFFAOYSA-N 0 3 237.343 2.233 20 10 BECDHN CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000774830341 585666952 /nfs/dbraw/zinc/66/69/52/585666952.db2.gz BZHFTWQWWTULLE-TZMCWYRMSA-N 0 3 235.327 2.297 20 10 BECDHN CC(C)[C@@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000775763256 585684053 /nfs/dbraw/zinc/68/40/53/585684053.db2.gz FKBLJHNMDDUWNT-NSHDSACASA-N 0 3 249.310 2.351 20 10 BECDHN CC(C)[C@@H]1CC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000775763256 585684054 /nfs/dbraw/zinc/68/40/54/585684054.db2.gz FKBLJHNMDDUWNT-NSHDSACASA-N 0 3 249.310 2.351 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1[O-] ZINC000775987352 585688704 /nfs/dbraw/zinc/68/87/04/585688704.db2.gz VLONYJHUMXWEMV-OLZOCXBDSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c1[O-] ZINC000775987352 585688705 /nfs/dbraw/zinc/68/87/05/585688705.db2.gz VLONYJHUMXWEMV-OLZOCXBDSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)c1[O-] ZINC000775987347 585688728 /nfs/dbraw/zinc/68/87/28/585688728.db2.gz VLONYJHUMXWEMV-CHWSQXEVSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c1[O-] ZINC000775987347 585688729 /nfs/dbraw/zinc/68/87/29/585688729.db2.gz VLONYJHUMXWEMV-CHWSQXEVSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[NH2+]CCN2CC[C@@H](C)C2)c1[O-] ZINC000777483034 585713631 /nfs/dbraw/zinc/71/36/31/585713631.db2.gz BTAVXPRBLIKIJT-GFCCVEGCSA-N 0 3 248.370 2.132 20 10 BECDHN C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccccc1[O-] ZINC000777824413 585720671 /nfs/dbraw/zinc/72/06/71/585720671.db2.gz FBQVPOFHWAVVHU-TZMCWYRMSA-N 0 3 248.370 2.164 20 10 BECDHN C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccccc1[O-] ZINC000777824413 585720672 /nfs/dbraw/zinc/72/06/72/585720672.db2.gz FBQVPOFHWAVVHU-TZMCWYRMSA-N 0 3 248.370 2.164 20 10 BECDHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](C)O ZINC000779013662 585744030 /nfs/dbraw/zinc/74/40/30/585744030.db2.gz HQWFAAILIXCDAZ-SNVBAGLBSA-N 0 3 241.306 2.123 20 10 BECDHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](C)O ZINC000779013662 585744031 /nfs/dbraw/zinc/74/40/31/585744031.db2.gz HQWFAAILIXCDAZ-SNVBAGLBSA-N 0 3 241.306 2.123 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000779028868 585744347 /nfs/dbraw/zinc/74/43/47/585744347.db2.gz LJZXWTOEQHWFJT-KBPBESRZSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000779028868 585744348 /nfs/dbraw/zinc/74/43/48/585744348.db2.gz LJZXWTOEQHWFJT-KBPBESRZSA-N 0 3 247.338 2.393 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC=CCC1 ZINC000779159499 585746450 /nfs/dbraw/zinc/74/64/50/585746450.db2.gz KZGQABIFHWRGBR-UHFFFAOYSA-N 0 3 219.284 2.163 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC=CCC1 ZINC000779159499 585746451 /nfs/dbraw/zinc/74/64/51/585746451.db2.gz KZGQABIFHWRGBR-UHFFFAOYSA-N 0 3 219.284 2.163 20 10 BECDHN C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000785988379 585884653 /nfs/dbraw/zinc/88/46/53/585884653.db2.gz MPBMLPUDKQYWMZ-YRGRVCCFSA-N 0 3 249.354 2.374 20 10 BECDHN C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccccc1[O-] ZINC000785988379 585884654 /nfs/dbraw/zinc/88/46/54/585884654.db2.gz MPBMLPUDKQYWMZ-YRGRVCCFSA-N 0 3 249.354 2.374 20 10 BECDHN COc1cccc(C[N@H+]2[C@H](C)C[C@@H]2C)c1[O-] ZINC000793220812 586014508 /nfs/dbraw/zinc/01/45/08/586014508.db2.gz QREUSXHJPRCEPB-AOOOYVTPSA-N 0 3 221.300 2.384 20 10 BECDHN COc1cccc(C[N@@H+]2[C@H](C)C[C@@H]2C)c1[O-] ZINC000793220812 586014509 /nfs/dbraw/zinc/01/45/09/586014509.db2.gz QREUSXHJPRCEPB-AOOOYVTPSA-N 0 3 221.300 2.384 20 10 BECDHN COc1ccc([O-])c(C[NH+]2[C@@H](C)C[C@@H]2C)c1 ZINC000793228795 586014685 /nfs/dbraw/zinc/01/46/85/586014685.db2.gz QXZMIFJXMOLXMY-UWVGGRQHSA-N 0 3 221.300 2.384 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H](CO)CC1CCC1 ZINC000793323954 586016852 /nfs/dbraw/zinc/01/68/52/586016852.db2.gz VPYREZGQEAJTPT-CYBMUJFWSA-N 0 3 235.327 2.033 20 10 BECDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2cccc(C)c2[O-])C1 ZINC000809693125 586513387 /nfs/dbraw/zinc/51/33/87/586513387.db2.gz OJUPGHOOIAYGGC-BETUJISGSA-N 0 3 235.327 2.310 20 10 BECDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc(C)c2[O-])C1 ZINC000809693125 586513388 /nfs/dbraw/zinc/51/33/88/586513388.db2.gz OJUPGHOOIAYGGC-BETUJISGSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)C[C@H](O)C2CC2)cc1C ZINC000809750920 586517419 /nfs/dbraw/zinc/51/74/19/586517419.db2.gz BTRJYDDGRZHFIL-HNNXBMFYSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H](O)C2CC2)cc1C ZINC000809750920 586517422 /nfs/dbraw/zinc/51/74/22/586517422.db2.gz BTRJYDDGRZHFIL-HNNXBMFYSA-N 0 3 249.354 2.212 20 10 BECDHN CC[N@H+](Cc1cc(C)c(C)cc1[O-])[C@H](C)CO ZINC000814169620 586615153 /nfs/dbraw/zinc/61/51/53/586615153.db2.gz KOADDICHNSSYTN-GFCCVEGCSA-N 0 3 237.343 2.212 20 10 BECDHN CC[N@@H+](Cc1cc(C)c(C)cc1[O-])[C@H](C)CO ZINC000814169620 586615154 /nfs/dbraw/zinc/61/51/54/586615154.db2.gz KOADDICHNSSYTN-GFCCVEGCSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H]2CCN(C)C2)c([O-])c1 ZINC000815576341 586688189 /nfs/dbraw/zinc/68/81/89/586688189.db2.gz OPPWEODVHOIXRY-STQMWFEESA-N 0 3 248.370 2.364 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@@H]1C ZINC000816649132 586751576 /nfs/dbraw/zinc/75/15/76/586751576.db2.gz URQBEHJEVSLERC-UWVGGRQHSA-N 0 3 221.300 2.241 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@@H]1C ZINC000816649132 586751578 /nfs/dbraw/zinc/75/15/78/586751578.db2.gz URQBEHJEVSLERC-UWVGGRQHSA-N 0 3 221.300 2.241 20 10 BECDHN CC[C@H]1CN(C)CC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000816660378 586753544 /nfs/dbraw/zinc/75/35/44/586753544.db2.gz BHPHNKSMRIIOKQ-AWEZNQCLSA-N 0 3 248.370 2.227 20 10 BECDHN CC[C@H]1CN(C)CC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000816660378 586753545 /nfs/dbraw/zinc/75/35/45/586753545.db2.gz BHPHNKSMRIIOKQ-AWEZNQCLSA-N 0 3 248.370 2.227 20 10 BECDHN CC[C@@H]([NH2+]CCCNC)c1ccc(F)cc1[O-] ZINC000817941740 586845319 /nfs/dbraw/zinc/84/53/19/586845319.db2.gz WAYDBYBAWBVKMI-GFCCVEGCSA-N 0 3 240.322 2.182 20 10 BECDHN CC[NH2+]CCCN[C@@H](C)c1ccc(F)cc1[O-] ZINC000817943140 586846608 /nfs/dbraw/zinc/84/66/08/586846608.db2.gz JCWHPJXPYQNHIV-JTQLQIEISA-N 0 3 240.322 2.182 20 10 BECDHN CC[C@H]([NH2+][C@H](CN)C1CC1)c1ccccc1[O-] ZINC000817961462 586851665 /nfs/dbraw/zinc/85/16/65/586851665.db2.gz ZFJYYOWKHXFKMP-QWHCGFSZSA-N 0 3 234.343 2.170 20 10 BECDHN CC[C@H]([NH2+]C[C@H](N)C(C)C)c1ccccc1[O-] ZINC000817960180 586851680 /nfs/dbraw/zinc/85/16/80/586851680.db2.gz XZDCMESMHJHXHC-STQMWFEESA-N 0 3 236.359 2.416 20 10 BECDHN CC(C)C[C@H](CN)[NH2+][C@H](C)c1ccccc1[O-] ZINC000817960125 586851914 /nfs/dbraw/zinc/85/19/14/586851914.db2.gz XOJFIKRUEDASRI-VXGBXAGGSA-N 0 3 236.359 2.416 20 10 BECDHN CC[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(C)cc1[O-] ZINC000817959730 586851938 /nfs/dbraw/zinc/85/19/38/586851938.db2.gz HRHADEZKKOVLGS-UONOGXRCSA-N 0 3 248.370 2.479 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)CN)c1ccc(F)cc1[O-] ZINC000817963025 586853013 /nfs/dbraw/zinc/85/30/13/586853013.db2.gz QHGPLHSMGRJHRC-SKDRFNHKSA-N 0 3 240.322 2.167 20 10 BECDHN CC[C@@H]([NH2+][C@H](CN)C1CC1)c1ccccc1[O-] ZINC000817961460 586853199 /nfs/dbraw/zinc/85/31/99/586853199.db2.gz ZFJYYOWKHXFKMP-CHWSQXEVSA-N 0 3 234.343 2.170 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C)cc1[O-] ZINC000817965686 586855453 /nfs/dbraw/zinc/85/54/53/586855453.db2.gz TUIOACTZTMHENG-ZIAGYGMSSA-N 0 3 248.370 2.479 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccccc1[O-] ZINC000817966002 586855694 /nfs/dbraw/zinc/85/56/94/586855694.db2.gz YTLRAGTYFVQYQW-CHWSQXEVSA-N 0 3 234.343 2.170 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)CN)c1ccc(C)cc1[O-] ZINC000817969620 586856062 /nfs/dbraw/zinc/85/60/62/586856062.db2.gz FCGAOZLJSFONCJ-JQWIXIFHSA-N 0 3 222.332 2.089 20 10 BECDHN CC[C@H]([NH2+][C@H]1CCNC[C@@H]1C)c1ccccc1[O-] ZINC000817970856 586858113 /nfs/dbraw/zinc/85/81/13/586858113.db2.gz GGXBWYUZZDXXCN-UBHSHLNASA-N 0 3 248.370 2.431 20 10 BECDHN C[C@@H](CN)[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817970342 586858329 /nfs/dbraw/zinc/85/83/29/586858329.db2.gz RPXGPSQDJMQBPL-NRPADANISA-N 0 3 238.306 2.016 20 10 BECDHN CC[C@H](N)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000817979374 586861580 /nfs/dbraw/zinc/86/15/80/586861580.db2.gz JYHQIRZUUXHMFT-JQWIXIFHSA-N 0 3 222.332 2.170 20 10 BECDHN CO[C@@H](C[N@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000822739760 587183605 /nfs/dbraw/zinc/18/36/05/587183605.db2.gz IABNVJANSKLPAO-AWEZNQCLSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@@H](C[N@@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000822739760 587183606 /nfs/dbraw/zinc/18/36/06/587183606.db2.gz IABNVJANSKLPAO-AWEZNQCLSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@H](C[N@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000822739762 587183784 /nfs/dbraw/zinc/18/37/84/587183784.db2.gz IABNVJANSKLPAO-CQSZACIVSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@H](C[N@@H+](C)Cc1ccccc1[O-])C1CC1 ZINC000822739762 587183786 /nfs/dbraw/zinc/18/37/86/587183786.db2.gz IABNVJANSKLPAO-CQSZACIVSA-N 0 3 235.327 2.249 20 10 BECDHN COCCC1C[NH+](Cc2cc(C)ccc2[O-])C1 ZINC000826899860 587364797 /nfs/dbraw/zinc/36/47/97/587364797.db2.gz XHHCIVRLRRLWLQ-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN COCCC1C[NH+](Cc2cccc(C)c2[O-])C1 ZINC000826899870 587364818 /nfs/dbraw/zinc/36/48/18/587364818.db2.gz XUUDBQDEWAQILK-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN CCO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000827005281 587367688 /nfs/dbraw/zinc/36/76/88/587367688.db2.gz DFJLKNDSZIYMPL-HAQNSBGRSA-N 0 3 239.290 2.188 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827152685 587371292 /nfs/dbraw/zinc/37/12/92/587371292.db2.gz UTQZOJDPQJVZKV-HNNXBMFYSA-N 0 3 247.338 2.129 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000827152685 587371293 /nfs/dbraw/zinc/37/12/93/587371293.db2.gz UTQZOJDPQJVZKV-HNNXBMFYSA-N 0 3 247.338 2.129 20 10 BECDHN Cc1cccc(C[N@H+](C)CC2=CCCOC2)c1[O-] ZINC000827190250 587372224 /nfs/dbraw/zinc/37/22/24/587372224.db2.gz SVTUULOREHKWAO-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN Cc1cccc(C[N@@H+](C)CC2=CCCOC2)c1[O-] ZINC000827190250 587372225 /nfs/dbraw/zinc/37/22/25/587372225.db2.gz SVTUULOREHKWAO-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1 ZINC000827489661 587382817 /nfs/dbraw/zinc/38/28/17/587382817.db2.gz TZRBGPKTTDRFOH-IMRBUKKESA-N 0 3 233.311 2.289 20 10 BECDHN C[C@H](CO)N(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835053907 587779557 /nfs/dbraw/zinc/77/95/57/587779557.db2.gz QDZJIGZYAQCPCM-CFHLNLSMSA-N 0 3 248.370 2.078 20 10 BECDHN Cc1cc(N(C)C)ccc1CN1CCC(O)CC1 ZINC000840910271 587929577 /nfs/dbraw/zinc/92/95/77/587929577.db2.gz PQLXXAMYBIDBQQ-UHFFFAOYSA-N 0 3 248.370 2.018 20 10 BECDHN CN(CC[NH2+]C(C)(C)C)Cc1ccccc1[O-] ZINC000841006162 587934597 /nfs/dbraw/zinc/93/45/97/587934597.db2.gz CGNOTUAHTWGDKV-UHFFFAOYSA-N 0 3 236.359 2.212 20 10 BECDHN CC(C)C[C@H]([NH3+])CN(C)Cc1ccccc1[O-] ZINC000841006750 587935050 /nfs/dbraw/zinc/93/50/50/587935050.db2.gz HGOJPOYBFSHGPO-ZDUSSCGKSA-N 0 3 236.359 2.197 20 10 BECDHN CCCC[C@H](CN)[NH2+]Cc1cc(C)ccc1[O-] ZINC000841029013 587935919 /nfs/dbraw/zinc/93/59/19/587935919.db2.gz LEYTUQWPKVSEOV-CYBMUJFWSA-N 0 3 236.359 2.308 20 10 BECDHN CCCC[C@@H](CN)[NH2+]Cc1cccc(C)c1[O-] ZINC000841029801 587936290 /nfs/dbraw/zinc/93/62/90/587936290.db2.gz SILBHAYGWVNDHG-ZDUSSCGKSA-N 0 3 236.359 2.308 20 10 BECDHN CC[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccccc1[O-] ZINC000841758362 587974067 /nfs/dbraw/zinc/97/40/67/587974067.db2.gz GRHKCJMBVMTALY-VHRBIJSZSA-N 0 3 235.327 2.346 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)[C@H](C)CCO)cc1C ZINC000846111882 588257381 /nfs/dbraw/zinc/25/73/81/588257381.db2.gz RUWOKMQGQSPNHA-GFCCVEGCSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)[C@H](C)CCO)cc1C ZINC000846111882 588257382 /nfs/dbraw/zinc/25/73/82/588257382.db2.gz RUWOKMQGQSPNHA-GFCCVEGCSA-N 0 3 237.343 2.212 20 10 BECDHN COc1cccc([C@H](C)[NH2+]C[C@@H](C)OC)c1[O-] ZINC000846164116 588258996 /nfs/dbraw/zinc/25/89/96/588258996.db2.gz MSZNLWHESNKRGU-ZJUUUORDSA-N 0 3 239.315 2.086 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](CO)CCF)c1 ZINC000846208813 588259993 /nfs/dbraw/zinc/25/99/93/588259993.db2.gz LUKZLCPXWOOWNH-QWRGUYRKSA-N 0 3 241.306 2.072 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](CO)CCF)c1 ZINC000846208812 588260241 /nfs/dbraw/zinc/26/02/41/588260241.db2.gz LUKZLCPXWOOWNH-MNOVXSKESA-N 0 3 241.306 2.072 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1[O-] ZINC000848904392 588418354 /nfs/dbraw/zinc/41/83/54/588418354.db2.gz SFRKEPNZZGNQCI-BXUZGUMPSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c1[O-] ZINC000848904392 588418355 /nfs/dbraw/zinc/41/83/55/588418355.db2.gz SFRKEPNZZGNQCI-BXUZGUMPSA-N 0 3 249.354 2.157 20 10 BECDHN C/C=C\C[C@@H](CO)[NH2+]Cc1cccc(CC)c1[O-] ZINC000848902493 588418449 /nfs/dbraw/zinc/41/84/49/588418449.db2.gz DZESMLZSZRILDN-MFBWXBCUSA-N 0 3 249.354 2.371 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1[O-] ZINC000848904393 588418643 /nfs/dbraw/zinc/41/86/43/588418643.db2.gz SFRKEPNZZGNQCI-FZMZJTMJSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c1[O-] ZINC000848904393 588418644 /nfs/dbraw/zinc/41/86/44/588418644.db2.gz SFRKEPNZZGNQCI-FZMZJTMJSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1[O-] ZINC000848904914 588418683 /nfs/dbraw/zinc/41/86/83/588418683.db2.gz DHBDDJUVNGMVKH-WDEREUQCSA-N 0 3 237.343 2.468 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@H]2CCO)c1[O-] ZINC000848903855 588418873 /nfs/dbraw/zinc/41/88/73/588418873.db2.gz FQYYFEXBRPTRGY-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@H]2CCO)c1[O-] ZINC000848903855 588418875 /nfs/dbraw/zinc/41/88/75/588418875.db2.gz FQYYFEXBRPTRGY-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000848914936 588419917 /nfs/dbraw/zinc/41/99/17/588419917.db2.gz VNSWKXMDIQQVEV-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@H](O)CC2)c1[O-] ZINC000848914936 588419919 /nfs/dbraw/zinc/41/99/19/588419919.db2.gz VNSWKXMDIQQVEV-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000848914937 588420324 /nfs/dbraw/zinc/42/03/24/588420324.db2.gz VNSWKXMDIQQVEV-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000848914937 588420326 /nfs/dbraw/zinc/42/03/26/588420326.db2.gz VNSWKXMDIQQVEV-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@@H](O)CC[C@@H]2C)c1[O-] ZINC000848918244 588420633 /nfs/dbraw/zinc/42/06/33/588420633.db2.gz UAWQATLZPAFAIP-FZMZJTMJSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@@H](O)CC[C@@H]2C)c1[O-] ZINC000848918244 588420635 /nfs/dbraw/zinc/42/06/35/588420635.db2.gz UAWQATLZPAFAIP-FZMZJTMJSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1[O-] ZINC000848918245 588420985 /nfs/dbraw/zinc/42/09/85/588420985.db2.gz UAWQATLZPAFAIP-RISCZKNCSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1[O-] ZINC000848918245 588420986 /nfs/dbraw/zinc/42/09/86/588420986.db2.gz UAWQATLZPAFAIP-RISCZKNCSA-N 0 3 249.354 2.300 20 10 BECDHN C[C@@H]([NH2+]C[C@H](CO)CC1CC1)c1ccccc1[O-] ZINC000850545495 588559169 /nfs/dbraw/zinc/55/91/69/588559169.db2.gz PFYATDGOFUMUBS-DGCLKSJQSA-N 0 3 249.354 2.451 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](CO)CC1CC1)c1ccccc1[O-] ZINC000850545497 588559294 /nfs/dbraw/zinc/55/92/94/588559294.db2.gz PFYATDGOFUMUBS-YPMHNXCESA-N 0 3 249.354 2.451 20 10 BECDHN CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(C)cc1[O-] ZINC000850579443 588561063 /nfs/dbraw/zinc/56/10/63/588561063.db2.gz XEJRTFUWSOOCKN-NQBHXWOUSA-N 0 3 235.327 2.265 20 10 BECDHN CC[C@@H](C)[N@H+](CCO)Cc1cccc(C)c1[O-] ZINC000862387290 589207631 /nfs/dbraw/zinc/20/76/31/589207631.db2.gz JLQFEVZIVINAPQ-GFCCVEGCSA-N 0 3 237.343 2.293 20 10 BECDHN CC[C@@H](C)[N@@H+](CCO)Cc1cccc(C)c1[O-] ZINC000862387290 589207632 /nfs/dbraw/zinc/20/76/32/589207632.db2.gz JLQFEVZIVINAPQ-GFCCVEGCSA-N 0 3 237.343 2.293 20 10 BECDHN C/C=C\C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000862530368 589218080 /nfs/dbraw/zinc/21/80/80/589218080.db2.gz LDMFQSUQUDWRDQ-PLNGDYQASA-N 0 3 237.299 2.075 20 10 BECDHN CCN(CC[NH3+])Cc1cc(Cl)cc(C)c1[O-] ZINC000863644486 589306885 /nfs/dbraw/zinc/30/68/85/589306885.db2.gz XWSUDUUMGJAHAA-UHFFFAOYSA-N 0 3 242.750 2.135 20 10 BECDHN CC[C@H]1CCN(C(=[NH2+])NCc2ccccc2[O-])C1 ZINC000864452781 589365415 /nfs/dbraw/zinc/36/54/15/589365415.db2.gz JEDFEUMHQCFEAK-NSHDSACASA-N 0 3 247.342 2.148 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000865860714 589465746 /nfs/dbraw/zinc/46/57/46/589465746.db2.gz YQRHUKWAAAJBML-KGLIPLIRSA-N 0 3 233.311 2.193 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)CO)c([O-])c1 ZINC000122021944 589549874 /nfs/dbraw/zinc/54/98/74/589549874.db2.gz YHWGWBLWFRHSBO-NSHDSACASA-N 0 3 237.343 2.370 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC2(CO)CC2)c([O-])c1 ZINC000122315233 589578434 /nfs/dbraw/zinc/57/84/34/589578434.db2.gz RXWAAKWCBNGQJK-LLVKDONJSA-N 0 3 235.327 2.124 20 10 BECDHN CCCOc1ccc(CN[C@@H](C)CO)cc1C ZINC000873063136 589982364 /nfs/dbraw/zinc/98/23/64/589982364.db2.gz LIYKPHIGOHKDDK-LBPRGKRZSA-N 0 3 237.343 2.254 20 10 BECDHN Cc1cccc(CN2CCN(C(C)C)CC2)c1O ZINC000124527242 590046912 /nfs/dbraw/zinc/04/69/12/590046912.db2.gz CFPWWTRAZRKFLM-UHFFFAOYSA-N 0 3 248.370 2.227 20 10 BECDHN COC[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000124599543 590060996 /nfs/dbraw/zinc/06/09/96/590060996.db2.gz YMCCWEDACKYHOA-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000124599543 590060999 /nfs/dbraw/zinc/06/09/99/590060999.db2.gz YMCCWEDACKYHOA-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCN2CCCC2)c([O-])c1 ZINC000020127063 590076370 /nfs/dbraw/zinc/07/63/70/590076370.db2.gz WSQBXHKBANTHAR-ZDUSSCGKSA-N 0 3 248.370 2.447 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c1[O-] ZINC000124846292 590094966 /nfs/dbraw/zinc/09/49/66/590094966.db2.gz OTBOHBLBBRMDBC-OCCSQVGLSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1ccc(C[N@H+](CCO)C2CCCC2)c([O-])c1 ZINC000876522858 590207741 /nfs/dbraw/zinc/20/77/41/590207741.db2.gz FCGOQVXLCYIVOA-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@@H+](CCO)C2CCCC2)c([O-])c1 ZINC000876522858 590207743 /nfs/dbraw/zinc/20/77/43/590207743.db2.gz FCGOQVXLCYIVOA-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN CCCC[N@H+](CCO)Cc1c(C)cccc1[O-] ZINC000876528267 590209293 /nfs/dbraw/zinc/20/92/93/590209293.db2.gz NKWUTOPVQOTSEI-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN CCCC[N@@H+](CCO)Cc1c(C)cccc1[O-] ZINC000876528267 590209294 /nfs/dbraw/zinc/20/92/94/590209294.db2.gz NKWUTOPVQOTSEI-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN COC1CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876554567 590214885 /nfs/dbraw/zinc/21/48/85/590214885.db2.gz OIQHSQBBXBUADN-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(CN2C[C@@H](C)OC[C@@H]2C)c(O)c1 ZINC000876598047 590220492 /nfs/dbraw/zinc/22/04/92/590220492.db2.gz TXCARNIGCULFQG-NWDGAFQWSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1ccc(C[NH+]2CCC([C@H](C)O)CC2)c([O-])c1 ZINC000876679404 590229726 /nfs/dbraw/zinc/22/97/26/590229726.db2.gz GHLQCVAJHCGPNX-LBPRGKRZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@@H](C)O)CC1 ZINC000876681149 590229996 /nfs/dbraw/zinc/22/99/96/590229996.db2.gz ZKOXFMXXDONKTH-GFCCVEGCSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CCO)C2)c([O-])c1 ZINC000876693413 590231056 /nfs/dbraw/zinc/23/10/56/590231056.db2.gz DIZUHJCQVOFJFJ-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](CCO)C2)c([O-])c1 ZINC000876693413 590231057 /nfs/dbraw/zinc/23/10/57/590231057.db2.gz DIZUHJCQVOFJFJ-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@@H+](C[C@@H](C)O)C(C)C)c([O-])c1 ZINC000876697503 590231872 /nfs/dbraw/zinc/23/18/72/590231872.db2.gz USFVQBYCMUBLIO-GFCCVEGCSA-N 0 3 237.343 2.292 20 10 BECDHN Cc1ccc(C[N@H+](C[C@@H](C)O)C(C)C)c([O-])c1 ZINC000876697503 590231873 /nfs/dbraw/zinc/23/18/73/590231873.db2.gz USFVQBYCMUBLIO-GFCCVEGCSA-N 0 3 237.343 2.292 20 10 BECDHN Cc1ccc(CN2CCO[C@@H](C)[C@H]2C)c(O)c1 ZINC000876739309 590234760 /nfs/dbraw/zinc/23/47/60/590234760.db2.gz OAHLZAXCTZBZJW-NEPJUHHUSA-N 0 3 235.327 2.310 20 10 BECDHN CCN(CC[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000876996488 590266938 /nfs/dbraw/zinc/26/69/38/590266938.db2.gz WIYHEYQPZVSGTR-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc(C[NH2+]CC2(O)CCCC2)c([O-])c1 ZINC000877037001 590272944 /nfs/dbraw/zinc/27/29/44/590272944.db2.gz XRFZOWNVYLCGLD-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@](C)(O)C(C)C)c([O-])c1 ZINC000877042884 590273354 /nfs/dbraw/zinc/27/33/54/590273354.db2.gz AVFJMXJHOZJHSW-CQSZACIVSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](C)c2cnn(C)c2)c([O-])c1 ZINC000877059512 590276080 /nfs/dbraw/zinc/27/60/80/590276080.db2.gz XLLFRTJGMNYCBD-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H](O)C2)c([O-])c1 ZINC000877058681 590276270 /nfs/dbraw/zinc/27/62/70/590276270.db2.gz LCXCWFLGAZWVNL-TZMCWYRMSA-N 0 3 249.354 2.341 20 10 BECDHN COC(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877067503 590277294 /nfs/dbraw/zinc/27/72/94/590277294.db2.gz JBHGCPZNGPBPFV-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000877118645 590288261 /nfs/dbraw/zinc/28/82/61/590288261.db2.gz IPSXIUJHXPZWKF-RYUDHWBXSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000877120235 590288949 /nfs/dbraw/zinc/28/89/49/590288949.db2.gz FDSLGBNQXRBDST-HAQNSBGRSA-N 0 3 235.327 2.094 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCCOCC2)c([O-])c1 ZINC000877139127 590291912 /nfs/dbraw/zinc/29/19/12/590291912.db2.gz IGBHJINDRWGUME-CYBMUJFWSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+]CCN2CC[C@H](C)C2)c([O-])c1 ZINC000877154755 590293435 /nfs/dbraw/zinc/29/34/35/590293435.db2.gz YUWNGMTZUAOWTI-ZDUSSCGKSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CCOC1 ZINC000877314231 590313150 /nfs/dbraw/zinc/31/31/50/590313150.db2.gz VQXANNCHFISJSA-LBPRGKRZSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc(C[NH2+][C@H](CO)C(C)(C)C)c([O-])c1 ZINC000877321031 590315365 /nfs/dbraw/zinc/31/53/65/590315365.db2.gz BIXIKNSCJYHHDW-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2C(C)(C)O)c([O-])c1 ZINC000877322240 590316001 /nfs/dbraw/zinc/31/60/01/590316001.db2.gz ABVCCRAZLRWDKH-CQSZACIVSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H]2C(C)(C)O)c([O-])c1 ZINC000877322240 590316003 /nfs/dbraw/zinc/31/60/03/590316003.db2.gz ABVCCRAZLRWDKH-CQSZACIVSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[NH2+]CCOC(C)C)c([O-])c1 ZINC000877335293 590317583 /nfs/dbraw/zinc/31/75/83/590317583.db2.gz IGDNZAIPOSTOHG-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C1CCC(O)CC1 ZINC000877423568 590325187 /nfs/dbraw/zinc/32/51/87/590325187.db2.gz FDSLGBNQXRBDST-UHFFFAOYSA-N 0 3 235.327 2.094 20 10 BECDHN Cc1ccc(CN2CCO[C@H](C3CC3)C2)c(O)c1 ZINC000877423950 590325617 /nfs/dbraw/zinc/32/56/17/590325617.db2.gz NSEMHCQOJRBEQH-HNNXBMFYSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2CCO)c([O-])c1 ZINC000877435117 590326638 /nfs/dbraw/zinc/32/66/38/590326638.db2.gz OEVJJTDFMAJCLM-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H]2CCO)c([O-])c1 ZINC000877435117 590326641 /nfs/dbraw/zinc/32/66/41/590326641.db2.gz OEVJJTDFMAJCLM-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@@]1(O)CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877440717 590327730 /nfs/dbraw/zinc/32/77/30/590327730.db2.gz IYNIIRWMUJMUMA-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@@]1(O)CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877440717 590327733 /nfs/dbraw/zinc/32/77/33/590327733.db2.gz IYNIIRWMUJMUMA-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2CCO)c([O-])c1 ZINC000877442707 590329331 /nfs/dbraw/zinc/32/93/31/590329331.db2.gz UMGOPILYNAPGOH-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC23CCOCC3)c([O-])c1 ZINC000877479814 590336820 /nfs/dbraw/zinc/33/68/20/590336820.db2.gz YEHZYUFUOYSTBD-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@H+]2CCC23CCOCC3)c([O-])c1 ZINC000877479814 590336823 /nfs/dbraw/zinc/33/68/23/590336823.db2.gz YEHZYUFUOYSTBD-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CCC2(CCO2)CC1 ZINC000877501580 590342027 /nfs/dbraw/zinc/34/20/27/590342027.db2.gz QYJJPCDVPHZRPM-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN COCC1([NH2+]Cc2ccc(C)cc2[O-])CCC1 ZINC000877507819 590343102 /nfs/dbraw/zinc/34/31/02/590343102.db2.gz MJEFVRZGLASZPO-UHFFFAOYSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1nnsc1CNCc1c(C)cccc1O ZINC000877545116 590352516 /nfs/dbraw/zinc/35/25/16/590352516.db2.gz BCLVRFJSGMHPSJ-UHFFFAOYSA-N 0 3 249.339 2.150 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC000877554672 590356864 /nfs/dbraw/zinc/35/68/64/590356864.db2.gz LLIYUOVNPFVFJW-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC000877554672 590356866 /nfs/dbraw/zinc/35/68/66/590356866.db2.gz LLIYUOVNPFVFJW-ZDUSSCGKSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+](C)CC(C)(C)CO)c([O-])c1 ZINC000877560914 590359476 /nfs/dbraw/zinc/35/94/76/590359476.db2.gz DOHIGYGXPPDHJQ-UHFFFAOYSA-N 0 3 237.343 2.151 20 10 BECDHN Cc1ccc(C[N@H+](C)CC(C)(C)CO)c([O-])c1 ZINC000877560914 590359479 /nfs/dbraw/zinc/35/94/79/590359479.db2.gz DOHIGYGXPPDHJQ-UHFFFAOYSA-N 0 3 237.343 2.151 20 10 BECDHN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877562427 590359875 /nfs/dbraw/zinc/35/98/75/590359875.db2.gz ZVUFAAOPNXCOGQ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1c(C)cccc1[O-] ZINC000877562427 590359877 /nfs/dbraw/zinc/35/98/77/590359877.db2.gz ZVUFAAOPNXCOGQ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[NH+]2CC3(C2)CCCOC3)c([O-])c1 ZINC000877580017 590364232 /nfs/dbraw/zinc/36/42/32/590364232.db2.gz DEKNPHGCGLKOBN-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN COCC[C@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877587046 590368025 /nfs/dbraw/zinc/36/80/25/590368025.db2.gz BWDVMPXXWXQUFR-LBPRGKRZSA-N 0 3 237.343 2.463 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000877585676 590368250 /nfs/dbraw/zinc/36/82/50/590368250.db2.gz MGQMCVUVLLWKFL-OCCSQVGLSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000877585676 590368252 /nfs/dbraw/zinc/36/82/52/590368252.db2.gz MGQMCVUVLLWKFL-OCCSQVGLSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000877632295 590377496 /nfs/dbraw/zinc/37/74/96/590377496.db2.gz USSRELKYSAQEAA-KBPBESRZSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2C[C@H](O)C23CCC3)c([O-])c1 ZINC000877631083 590377645 /nfs/dbraw/zinc/37/76/45/590377645.db2.gz DZOQSWZMNAYSIR-KBPBESRZSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@]3(C)C2)c([O-])c1 ZINC000877631941 590377844 /nfs/dbraw/zinc/37/78/44/590377844.db2.gz WTEHUDNVKPKOPF-HIFRSBDPSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H]3COC[C@]3(C)C2)c([O-])c1 ZINC000877631941 590377846 /nfs/dbraw/zinc/37/78/46/590377846.db2.gz WTEHUDNVKPKOPF-HIFRSBDPSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000877632296 590378355 /nfs/dbraw/zinc/37/83/55/590378355.db2.gz USSRELKYSAQEAA-KGLIPLIRSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1ccc(C[NH2+]CC2CCC(O)CC2)c([O-])c1 ZINC000877636304 590380475 /nfs/dbraw/zinc/38/04/75/590380475.db2.gz SJPXDCNOMWOWCG-UHFFFAOYSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000877649594 590383806 /nfs/dbraw/zinc/38/38/06/590383806.db2.gz BPDUZYCDTZTTHT-PHIMTYICSA-N 0 3 203.285 2.152 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000877649594 590383808 /nfs/dbraw/zinc/38/38/08/590383808.db2.gz BPDUZYCDTZTTHT-PHIMTYICSA-N 0 3 203.285 2.152 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000877646883 590383819 /nfs/dbraw/zinc/38/38/19/590383819.db2.gz MNWQTTKHZAANSZ-YPMHNXCESA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000877646883 590383821 /nfs/dbraw/zinc/38/38/21/590383821.db2.gz MNWQTTKHZAANSZ-YPMHNXCESA-N 0 3 249.354 2.151 20 10 BECDHN COc1ccc(O)c(CNCC(C)(C)F)c1 ZINC000877663045 590387897 /nfs/dbraw/zinc/38/78/97/590387897.db2.gz DQSKCCSUAZGKBQ-UHFFFAOYSA-N 0 3 227.279 2.239 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)c([O-])c1 ZINC000877681285 590389997 /nfs/dbraw/zinc/38/99/97/590389997.db2.gz FXVMSSRAVDBKDV-DMDPSCGWSA-N 0 3 235.327 2.356 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1CCCOC1)C2 ZINC000877703027 590396670 /nfs/dbraw/zinc/39/66/70/590396670.db2.gz OVEZEPZZKFEVRP-NSHDSACASA-N 0 3 233.311 2.134 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1CCCOC1)C2 ZINC000877703027 590396671 /nfs/dbraw/zinc/39/66/71/590396671.db2.gz OVEZEPZZKFEVRP-NSHDSACASA-N 0 3 233.311 2.134 20 10 BECDHN CC1(C)CN(Cc2cc(F)ccc2O)C1 ZINC000877717801 590400116 /nfs/dbraw/zinc/40/01/16/590400116.db2.gz QUPSENMRQNUAAI-UHFFFAOYSA-N 0 3 209.264 2.373 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](O)CC(C)(C)C2)c([O-])c1 ZINC000877751681 590415894 /nfs/dbraw/zinc/41/58/94/590415894.db2.gz FXMRSZQCZINUBJ-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](O)CC(C)(C)C2)c([O-])c1 ZINC000877751681 590415896 /nfs/dbraw/zinc/41/58/96/590415896.db2.gz FXMRSZQCZINUBJ-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000877779516 590423108 /nfs/dbraw/zinc/42/31/08/590423108.db2.gz XOEULZBJVHOSOM-OLZOCXBDSA-N 0 3 235.327 2.094 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1 ZINC000877835135 590431612 /nfs/dbraw/zinc/43/16/12/590431612.db2.gz ICKLVMCORIKREX-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C(C)(C)O)C2)c1 ZINC000877835135 590431614 /nfs/dbraw/zinc/43/16/14/590431614.db2.gz ICKLVMCORIKREX-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN CO[C@H]1C[C@@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000878243048 590527899 /nfs/dbraw/zinc/52/78/99/590527899.db2.gz YSZWCHMSWHTZLT-BJHJDKERSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@H]1C[C@@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000878243048 590527900 /nfs/dbraw/zinc/52/79/00/590527900.db2.gz YSZWCHMSWHTZLT-BJHJDKERSA-N 0 3 235.327 2.249 20 10 BECDHN COC(=O)/C(C)=C/C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648519 590842208 /nfs/dbraw/zinc/84/22/08/590842208.db2.gz RWTBPIRIFNLSNN-RJCSOLBVSA-N 0 3 249.310 2.162 20 10 BECDHN CC(C)[C@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650262 590843438 /nfs/dbraw/zinc/84/34/38/590843438.db2.gz SKWRPKKTTFVKKB-DGCLKSJQSA-N 0 3 237.343 2.450 20 10 BECDHN CC(C)OCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000133882125 591866200 /nfs/dbraw/zinc/86/62/00/591866200.db2.gz HRTFMOHWBCODDF-LLVKDONJSA-N 0 3 223.316 2.468 20 10 BECDHN COCC[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000134906214 591958392 /nfs/dbraw/zinc/95/83/92/591958392.db2.gz IMLTWZVZMRUTHT-LLVKDONJSA-N 0 3 223.316 2.306 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccccc1[O-] ZINC000886310277 592205198 /nfs/dbraw/zinc/20/51/98/592205198.db2.gz IKPMUSSJLXFZMN-HUBLWGQQSA-N 0 3 247.338 2.469 20 10 BECDHN CCOC(=O)/C=C\C[NH2+][C@H](C)c1ccccc1[O-] ZINC000931553677 634587246 /nfs/dbraw/zinc/58/72/46/634587246.db2.gz GIVMPACJTBAQLI-DHHDDZJSSA-N 0 3 249.310 2.162 20 10 BECDHN COC(C)(C)CC[NH2+]Cc1ccccc1[O-] ZINC000231026749 635493854 /nfs/dbraw/zinc/49/38/54/635493854.db2.gz OJAYUDZWMWEXHF-UHFFFAOYSA-N 0 3 223.316 2.297 20 10 BECDHN CC(C)(CN1CCCC1)[NH2+]Cc1ccccc1[O-] ZINC000308616591 631344938 /nfs/dbraw/zinc/34/49/38/631344938.db2.gz YBURNXSTOYWBCS-UHFFFAOYSA-N 0 3 248.370 2.356 20 10 BECDHN CCOc1ccc(C[NH+]2CCCC2)c([O-])c1 ZINC000725843757 632788686 /nfs/dbraw/zinc/78/86/86/632788686.db2.gz DHAGSYBQVUSQEH-UHFFFAOYSA-N 0 3 221.300 2.387 20 10 BECDHN COCC1([NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000309432378 633065027 /nfs/dbraw/zinc/06/50/27/633065027.db2.gz GMKGNOLVJYZRQE-JTQLQIEISA-N 0 3 221.300 2.222 20 10 BECDHN CC[C@@](C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310494114 634154222 /nfs/dbraw/zinc/15/42/22/634154222.db2.gz PGXIJKRQUMMQLX-SMDDNHRTSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CS1 ZINC000162936029 635203462 /nfs/dbraw/zinc/20/34/62/635203462.db2.gz LLOUFZOOHSVLJM-ONGXEEELSA-N 0 3 223.341 2.376 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C[C@H](C)O1 ZINC000252788098 636774295 /nfs/dbraw/zinc/77/42/95/636774295.db2.gz JMINENGYSVFNSC-PTEHBNRSSA-N 0 3 235.327 2.438 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CCCC[C@H]1O ZINC000897539068 636787915 /nfs/dbraw/zinc/78/79/15/636787915.db2.gz LYKPNCLKPZQQSN-TZMCWYRMSA-N 0 3 249.354 2.423 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCn2cccn2)c([O-])c1 ZINC000042539113 637277980 /nfs/dbraw/zinc/27/79/80/637277980.db2.gz RFBJBYKQUGVVFS-LBPRGKRZSA-N 0 3 245.326 2.248 20 10 BECDHN CC(C)N1CCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000911659851 639693307 /nfs/dbraw/zinc/69/33/07/639693307.db2.gz FUOWLYWRGZXKIC-CYBMUJFWSA-N 0 3 247.342 2.080 20 10 BECDHN CC[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168795726 640827276 /nfs/dbraw/zinc/82/72/76/640827276.db2.gz YHHRWYPPCYMSFO-GXSJLCMTSA-N 0 3 241.306 2.343 20 10 BECDHN CC[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168795886 640827549 /nfs/dbraw/zinc/82/75/49/640827549.db2.gz YHHRWYPPCYMSFO-MWLCHTKSSA-N 0 3 241.306 2.343 20 10 BECDHN Cc1cnc(CN[C@H](C)c2ccccc2O)cn1 ZINC000061320225 640952782 /nfs/dbraw/zinc/95/27/82/640952782.db2.gz OFJKCLOQKCZGGP-LLVKDONJSA-N 0 3 243.310 2.341 20 10 BECDHN CC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000229964516 640998142 /nfs/dbraw/zinc/99/81/42/640998142.db2.gz XMKBIQPBYDDCBZ-GHMZBOCLSA-N 0 3 223.316 2.122 20 10 BECDHN CCO[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000155487317 641574285 /nfs/dbraw/zinc/57/42/85/641574285.db2.gz GJNZFOPKZPUQRZ-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CCO[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000155487317 641574293 /nfs/dbraw/zinc/57/42/93/641574293.db2.gz GJNZFOPKZPUQRZ-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN C[C@@H]1COCC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000305855742 642707807 /nfs/dbraw/zinc/70/78/07/642707807.db2.gz BNNZQVHZOFMNKK-BXKDBHETSA-N 0 3 239.290 2.046 20 10 BECDHN CC(C)[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000184739467 643232392 /nfs/dbraw/zinc/23/23/92/643232392.db2.gz HKHJQFUQIQNHHQ-CQSZACIVSA-N 0 3 248.370 2.164 20 10 BECDHN CC(C)[C@H]1CN(C)CC[N@H+]1Cc1ccccc1[O-] ZINC000184739467 643232398 /nfs/dbraw/zinc/23/23/98/643232398.db2.gz HKHJQFUQIQNHHQ-CQSZACIVSA-N 0 3 248.370 2.164 20 10 BECDHN CSCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000068993760 643437307 /nfs/dbraw/zinc/43/73/07/643437307.db2.gz MMPMHPXWJOGHHI-SECBINFHSA-N 0 3 211.330 2.406 20 10 BECDHN COC[C@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000083398070 643447823 /nfs/dbraw/zinc/44/78/23/643447823.db2.gz DSTUFSQPCJNIFO-LBPRGKRZSA-N 0 3 223.316 2.153 20 10 BECDHN C[C@H]([NH2+]CC1(O)CCCC1)c1ccccc1[O-] ZINC000087015631 644470361 /nfs/dbraw/zinc/47/03/61/644470361.db2.gz PWFIVTLNCCACQR-NSHDSACASA-N 0 3 235.327 2.348 20 10 BECDHN C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)c1ccccc1[O-] ZINC000252813167 644910502 /nfs/dbraw/zinc/91/05/02/644910502.db2.gz IBENYMQKHMECRB-SRVKXCTJSA-N 0 3 235.327 2.346 20 10 BECDHN CC[C@H]([NH2+][C@H](CO)CCF)c1ccccc1[O-] ZINC000846096690 645402362 /nfs/dbraw/zinc/40/23/62/645402362.db2.gz KGLGDVGQADGBNS-JQWIXIFHSA-N 0 3 241.306 2.153 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000877628826 645804578 /nfs/dbraw/zinc/80/45/78/645804578.db2.gz NDECYORMSKBRAP-RYUDHWBXSA-N 0 3 249.354 2.149 20 10 BECDHN C[C@@H]1COCCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000398907369 710911051 /nfs/dbraw/zinc/91/10/51/710911051.db2.gz GMVIYHYGCVJTRI-SNVBAGLBSA-N 0 3 239.290 2.142 20 10 BECDHN C[C@@H]1COCCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000398907369 710911052 /nfs/dbraw/zinc/91/10/52/710911052.db2.gz GMVIYHYGCVJTRI-SNVBAGLBSA-N 0 3 239.290 2.142 20 10 BECDHN COc1ccc(C[NH2+][C@@H]2CC[C@@H]2C)c([O-])c1 ZINC000390671329 711131090 /nfs/dbraw/zinc/13/10/90/711131090.db2.gz SVHRXWJIZXNLQR-JOYOIKCWSA-N 0 3 221.300 2.289 20 10 BECDHN CCC1(C[NH2+][C@@H](C)c2ccccc2[O-])COC1 ZINC000393980967 711180054 /nfs/dbraw/zinc/18/00/54/711180054.db2.gz CYZKJZRAWLMVMQ-NSHDSACASA-N 0 3 235.327 2.469 20 10 BECDHN Cc1cnn(C)c1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000394072231 711183913 /nfs/dbraw/zinc/18/39/13/711183913.db2.gz TYYRAYNLMDHCCM-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC2(N(C)C)CC2)c([O-])c1 ZINC000397976558 711398090 /nfs/dbraw/zinc/39/80/90/711398090.db2.gz PDQYITPNBWVTDM-GFCCVEGCSA-N 0 3 248.370 2.445 20 10 BECDHN C[C@H]([NH2+]CC1(N(C)C)CC1)c1ccccc1[O-] ZINC000397990050 711399217 /nfs/dbraw/zinc/39/92/17/711399217.db2.gz NYFLXATZZMGLQL-NSHDSACASA-N 0 3 234.343 2.137 20 10 BECDHN C[C@H]1COCCC[N@@H+]1Cc1ccccc1[O-] ZINC000398870607 711416315 /nfs/dbraw/zinc/41/63/15/711416315.db2.gz PHBVPSWCFLKYAK-NSHDSACASA-N 0 3 221.300 2.003 20 10 BECDHN C[C@H]1COCCC[N@H+]1Cc1ccccc1[O-] ZINC000398870607 711416316 /nfs/dbraw/zinc/41/63/16/711416316.db2.gz PHBVPSWCFLKYAK-NSHDSACASA-N 0 3 221.300 2.003 20 10 BECDHN COC[C@H](C[NH2+]Cc1ccccc1[O-])C(C)C ZINC000721985909 710695473 /nfs/dbraw/zinc/69/54/73/710695473.db2.gz LSAUQBYSDKGOEN-ZDUSSCGKSA-N 0 3 237.343 2.400 20 10 BECDHN C[C@@H]([NH2+]C[C@]1(C)CCOC1)c1ccccc1[O-] ZINC000397132571 711378313 /nfs/dbraw/zinc/37/83/13/711378313.db2.gz WXLKLJRNMKUQHK-RISCZKNCSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOC1 ZINC000397160228 711378512 /nfs/dbraw/zinc/37/85/12/711378512.db2.gz SNQYIZVQNCCYFG-WFASDCNBSA-N 0 3 247.338 2.396 20 10 BECDHN C[C@H]([NH2+]CC1=CCOCC1)c1ccccc1[O-] ZINC000397727415 711390077 /nfs/dbraw/zinc/39/00/77/711390077.db2.gz OFKVCNRGRIDKDI-NSHDSACASA-N 0 3 233.311 2.390 20 10 BECDHN C[C@@H]([NH2+]CC1=CCOCC1)c1ccccc1[O-] ZINC000397727413 711390103 /nfs/dbraw/zinc/39/01/03/711390103.db2.gz OFKVCNRGRIDKDI-LLVKDONJSA-N 0 3 233.311 2.390 20 10 BECDHN C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2[O-])CCO1 ZINC000721437581 711476315 /nfs/dbraw/zinc/47/63/15/711476315.db2.gz NLAHGSRKXRGUAH-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2[O-])CCO1 ZINC000721437581 711476317 /nfs/dbraw/zinc/47/63/17/711476317.db2.gz NLAHGSRKXRGUAH-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]([NH2+]CCc1cn(C)cn1)c1ccccc1[O-] ZINC000313305816 711717277 /nfs/dbraw/zinc/71/72/77/711717277.db2.gz SJEFMCQEYRXQGS-LLVKDONJSA-N 0 3 245.326 2.019 20 10 BECDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H](C)O ZINC000386961672 711763875 /nfs/dbraw/zinc/76/38/75/711763875.db2.gz ZGEIWANATVCEFG-DLOVCJGASA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000228406594 711834714 /nfs/dbraw/zinc/83/47/14/711834714.db2.gz JDAUOPCWOJTVMM-CHWSQXEVSA-N 0 3 235.327 2.439 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000700640560 712001304 /nfs/dbraw/zinc/00/13/04/712001304.db2.gz OJGTULFRMMYFCY-OLZOCXBDSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000700640560 712001305 /nfs/dbraw/zinc/00/13/05/712001305.db2.gz OJGTULFRMMYFCY-OLZOCXBDSA-N 0 3 233.311 2.003 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCOCCF)c([O-])c1 ZINC000702638354 712057800 /nfs/dbraw/zinc/05/78/00/712057800.db2.gz LRTZBMBCHCJPBY-LLVKDONJSA-N 0 3 241.306 2.337 20 10 BECDHN C[C@@H]([NH2+]CCOCCF)c1cc(F)ccc1[O-] ZINC000702653827 712058720 /nfs/dbraw/zinc/05/87/20/712058720.db2.gz IWIMAPINLFNWFZ-SECBINFHSA-N 0 3 245.269 2.168 20 10 BECDHN Oc1ccccc1CNCc1ccc(F)cn1 ZINC000703430420 712076382 /nfs/dbraw/zinc/07/63/82/712076382.db2.gz IJMYCDXFLDZLLP-UHFFFAOYSA-N 0 3 232.258 2.216 20 10 BECDHN C[C@@H]1N(Cc2ccccc2O)CCOC1(C)C ZINC000707691214 712176282 /nfs/dbraw/zinc/17/62/82/712176282.db2.gz PFRDICVPVFRBER-NSHDSACASA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1[N@H+](Cc2ccccc2[O-])CCOC1(C)C ZINC000707691214 712176285 /nfs/dbraw/zinc/17/62/85/712176285.db2.gz PFRDICVPVFRBER-NSHDSACASA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1[N@@H+](Cc2ccccc2[O-])CCOC1(C)C ZINC000707691214 712176288 /nfs/dbraw/zinc/17/62/88/712176288.db2.gz PFRDICVPVFRBER-NSHDSACASA-N 0 3 235.327 2.392 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711497349 712306956 /nfs/dbraw/zinc/30/69/56/712306956.db2.gz LWRUYKCSBNRBDB-SNVBAGLBSA-N 0 3 209.264 2.184 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](CF)C1 ZINC000711497349 712306957 /nfs/dbraw/zinc/30/69/57/712306957.db2.gz LWRUYKCSBNRBDB-SNVBAGLBSA-N 0 3 209.264 2.184 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000390622219 712421859 /nfs/dbraw/zinc/42/18/59/712421859.db2.gz GCMLDAILGDROJP-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000390622219 712421860 /nfs/dbraw/zinc/42/18/60/712421860.db2.gz GCMLDAILGDROJP-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN CCN1CC[C@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000712561565 712445980 /nfs/dbraw/zinc/44/59/80/712445980.db2.gz CZBVVZGBDGADGH-NEPJUHHUSA-N 0 3 234.343 2.137 20 10 BECDHN COC[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000714445103 712489588 /nfs/dbraw/zinc/48/95/88/712489588.db2.gz ZUVQNUZFRTYXPW-SDDRHHMPSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1[O-] ZINC000716714027 712570701 /nfs/dbraw/zinc/57/07/01/712570701.db2.gz SJFNXCVGVLRRQR-KWQFWETISA-N 0 3 245.269 2.059 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)C1CCC1)CC2 ZINC000717617513 712662792 /nfs/dbraw/zinc/66/27/92/712662792.db2.gz ZSVPGEGCCYPXSB-CHWSQXEVSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H]([NH2+][C@H](CO)CC(F)F)c1ccccc1[O-] ZINC000717825471 712682134 /nfs/dbraw/zinc/68/21/34/712682134.db2.gz PJDLZUCABYPQNO-IUCAKERBSA-N 0 3 245.269 2.059 20 10 BECDHN C[C@H](C[NH2+]Cc1ccccc1[O-])N1CCCCC1 ZINC000038028365 712799303 /nfs/dbraw/zinc/79/93/03/712799303.db2.gz MDZLYNJZPCFBQH-CYBMUJFWSA-N 0 3 248.370 2.356 20 10 BECDHN CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000380240613 712843368 /nfs/dbraw/zinc/84/33/68/712843368.db2.gz NDUGCIUPLNPXRR-JQWIXIFHSA-N 0 3 223.341 2.376 20 10 BECDHN Oc1ccccc1CN1CCC[C@@H](F)C1 ZINC000689887734 963880899 /nfs/dbraw/zinc/88/08/99/963880899.db2.gz VIADRDFTCMFPKP-LLVKDONJSA-N 0 3 209.264 2.326 20 10 BECDHN C[N@H+](CCO)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001236256782 979474424 /nfs/dbraw/zinc/47/44/24/979474424.db2.gz RCCSMJIMJQCHRL-UHFFFAOYSA-N 0 3 237.343 2.114 20 10 BECDHN C[N@@H+](CCO)Cc1ccc(C(C)(C)C)cc1[O-] ZINC001236256782 979474432 /nfs/dbraw/zinc/47/44/32/979474432.db2.gz RCCSMJIMJQCHRL-UHFFFAOYSA-N 0 3 237.343 2.114 20 10 BECDHN CCc1ccc(CN2CC[C@H](F)C2)c(O)c1 ZINC001236784603 979725123 /nfs/dbraw/zinc/72/51/23/979725123.db2.gz XGTNCSDJEMTGRN-LBPRGKRZSA-N 0 3 223.291 2.498 20 10 BECDHN C[N@H+](CCCn1cccn1)Cc1ccccc1[O-] ZINC001208079884 1169502173 /nfs/dbraw/zinc/50/21/73/1169502173.db2.gz YBZODGHVAPYIIT-UHFFFAOYSA-N 0 3 245.326 2.111 20 10 BECDHN C[N@@H+](CCCn1cccn1)Cc1ccccc1[O-] ZINC001208079884 1169502180 /nfs/dbraw/zinc/50/21/80/1169502180.db2.gz YBZODGHVAPYIIT-UHFFFAOYSA-N 0 3 245.326 2.111 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1COC(C)(C)C1 ZINC000396497433 956886172 /nfs/dbraw/zinc/88/61/72/956886172.db2.gz HJTZRQBSXQVGBR-GFCCVEGCSA-N 0 3 235.327 2.392 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1COC(C)(C)C1 ZINC000396497433 956886177 /nfs/dbraw/zinc/88/61/77/956886177.db2.gz HJTZRQBSXQVGBR-GFCCVEGCSA-N 0 3 235.327 2.392 20 10 BECDHN CC[N@H+](CCCOC)Cc1ccccc1[O-] ZINC001209053807 957306791 /nfs/dbraw/zinc/30/67/91/957306791.db2.gz PJFYMAVQJHZIQQ-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN CC[N@@H+](CCCOC)Cc1ccccc1[O-] ZINC001209053807 957306804 /nfs/dbraw/zinc/30/68/04/957306804.db2.gz PJFYMAVQJHZIQQ-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCCc2n[nH]cc2C1 ZINC000828014174 972265254 /nfs/dbraw/zinc/26/52/54/972265254.db2.gz WISHCYMJTJHNMT-UHFFFAOYSA-N 0 3 243.310 2.064 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCCc2n[nH]cc2C1 ZINC000828014174 972265257 /nfs/dbraw/zinc/26/52/57/972265257.db2.gz WISHCYMJTJHNMT-UHFFFAOYSA-N 0 3 243.310 2.064 20 10 BECDHN Cc1ccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001140947842 960747280 /nfs/dbraw/zinc/74/72/80/960747280.db2.gz HWGKWWKANHMQNY-AVGNSLFASA-N 0 3 235.302 2.490 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](CO)CC[C@H]2C)c([O-])c1 ZINC001140948118 960749742 /nfs/dbraw/zinc/74/97/42/960749742.db2.gz UFCIKYILMHABIK-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](CO)CC[C@H]2C)c([O-])c1 ZINC001140948118 960749761 /nfs/dbraw/zinc/74/97/61/960749761.db2.gz UFCIKYILMHABIK-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN COC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC001140948150 960750505 /nfs/dbraw/zinc/75/05/05/960750505.db2.gz VTWAVPJLZISRNU-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN COC[C@H]1CCC[N@H+]1Cc1ccc(C)cc1[O-] ZINC001140948150 960750524 /nfs/dbraw/zinc/75/05/24/960750524.db2.gz VTWAVPJLZISRNU-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](O)C[C@H]2C)c([O-])c1 ZINC001140950988 960760698 /nfs/dbraw/zinc/76/06/98/960760698.db2.gz RWZPTAAQGVIMHV-YPMHNXCESA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](O)C[C@H]2C)c([O-])c1 ZINC001140950988 960760716 /nfs/dbraw/zinc/76/07/16/960760716.db2.gz RWZPTAAQGVIMHV-YPMHNXCESA-N 0 3 235.327 2.046 20 10 BECDHN COc1cc([O-])c(C[NH+]2CCCC2)c(OC)c1 ZINC001141032202 960825307 /nfs/dbraw/zinc/82/53/07/960825307.db2.gz VKWVTEHODXMHDN-UHFFFAOYSA-N 0 3 237.299 2.005 20 10 BECDHN C[C@H]1CCN1Cc1ccc2c(c1)OCCN2C ZINC001141141443 960887488 /nfs/dbraw/zinc/88/74/88/960887488.db2.gz YRPVSPYZWGHXEB-NSHDSACASA-N 0 3 232.327 2.109 20 10 BECDHN C[N@H+](CCC1(O)CCC1)Cc1ccccc1[O-] ZINC000839515880 961132695 /nfs/dbraw/zinc/13/26/95/961132695.db2.gz DJHPITJQKPCAPW-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN C[N@@H+](CCC1(O)CCC1)Cc1ccccc1[O-] ZINC000839515880 961132718 /nfs/dbraw/zinc/13/27/18/961132718.db2.gz DJHPITJQKPCAPW-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])CC1(C)COC1 ZINC001207801415 961812434 /nfs/dbraw/zinc/81/24/34/961812434.db2.gz LJNBYKDVAORNTM-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])CC1(C)COC1 ZINC001207801415 961812441 /nfs/dbraw/zinc/81/24/41/961812441.db2.gz LJNBYKDVAORNTM-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN Oc1ccccc1CN1C[C@@H]2C[C@@H]2[C@H](F)C1 ZINC001203549930 966671027 /nfs/dbraw/zinc/67/10/27/966671027.db2.gz DCAQOXXAFYGCFI-SDDRHHMPSA-N 0 3 221.275 2.182 20 10 BECDHN CC(C)[C@H]1COCC[N@@H+]1Cc1ccccc1[O-] ZINC001203557165 966690504 /nfs/dbraw/zinc/69/05/04/966690504.db2.gz ZXQQDGJEHZUKCR-CYBMUJFWSA-N 0 3 235.327 2.249 20 10 BECDHN CC(C)[C@H]1COCC[N@H+]1Cc1ccccc1[O-] ZINC001203557165 966690509 /nfs/dbraw/zinc/69/05/09/966690509.db2.gz ZXQQDGJEHZUKCR-CYBMUJFWSA-N 0 3 235.327 2.249 20 10 BECDHN CC(C)[C@H]1COCCN1Cc1ccccc1O ZINC001203557165 966690516 /nfs/dbraw/zinc/69/05/16/966690516.db2.gz ZXQQDGJEHZUKCR-CYBMUJFWSA-N 0 3 235.327 2.249 20 10 BECDHN Oc1cccc2c1CN(Cc1ccc[nH]1)CC2 ZINC001204011577 966851113 /nfs/dbraw/zinc/85/11/13/966851113.db2.gz UKDLXSMPFKULQX-UHFFFAOYSA-N 0 3 228.295 2.279 20 10 BECDHN C[C@@]1(F)CCCN(Cc2ccc(O)cc2O)C1 ZINC001204276794 966954633 /nfs/dbraw/zinc/95/46/33/966954633.db2.gz RNAFAZRGUWSILS-CYBMUJFWSA-N 0 3 239.290 2.422 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H]2C[C@H]21 ZINC001204277372 966958694 /nfs/dbraw/zinc/95/86/94/966958694.db2.gz BPGINAODCMONHF-JOYOIKCWSA-N 0 3 219.284 2.082 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H]2C[C@H]21 ZINC001204277372 966958702 /nfs/dbraw/zinc/95/87/02/966958702.db2.gz BPGINAODCMONHF-JOYOIKCWSA-N 0 3 219.284 2.082 20 10 BECDHN Oc1ccc(CN2CCCC[C@@H](F)C2)c(O)c1 ZINC001204276905 966958850 /nfs/dbraw/zinc/95/88/50/966958850.db2.gz SZDCZAZVHJSESA-LLVKDONJSA-N 0 3 239.290 2.422 20 10 BECDHN C[C@]1(CF)CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276360 966961544 /nfs/dbraw/zinc/96/15/44/966961544.db2.gz KWQXLOXXYQMLQL-CYBMUJFWSA-N 0 3 239.290 2.279 20 10 BECDHN C[C@]1(CF)CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276360 966961550 /nfs/dbraw/zinc/96/15/50/966961550.db2.gz KWQXLOXXYQMLQL-CYBMUJFWSA-N 0 3 239.290 2.279 20 10 BECDHN C[C@@H]([NH2+][C@H]1C[C@@H]2COC[C@@H]21)c1ccccc1[O-] ZINC001207161557 968670003 /nfs/dbraw/zinc/67/00/03/968670003.db2.gz ZGEUBQVLICSRSN-AAXDQBDMSA-N 0 3 233.311 2.078 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1CCCCO1)CC2 ZINC001207958448 968954124 /nfs/dbraw/zinc/95/41/24/968954124.db2.gz DMEUJURSZQLTKX-ZDUSSCGKSA-N 0 3 247.338 2.319 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1CCCCO1)CC2 ZINC001207958448 968954131 /nfs/dbraw/zinc/95/41/31/968954131.db2.gz DMEUJURSZQLTKX-ZDUSSCGKSA-N 0 3 247.338 2.319 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCC[C@@H]1CCOC1 ZINC000400535641 970600938 /nfs/dbraw/zinc/60/09/38/970600938.db2.gz JWTFRAATQUNZQS-GFCCVEGCSA-N 0 3 235.327 2.299 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172244580 974509770 /nfs/dbraw/zinc/50/97/70/974509770.db2.gz PAISJGKQKPDNBP-AGUYFDCRSA-N 0 3 245.322 2.310 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172244580 974509776 /nfs/dbraw/zinc/50/97/76/974509776.db2.gz PAISJGKQKPDNBP-AGUYFDCRSA-N 0 3 245.322 2.310 20 10 BECDHN CO[C@@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC001331074203 974586755 /nfs/dbraw/zinc/58/67/55/974586755.db2.gz ALWCKANFOLSFGU-QWHCGFSZSA-N 0 3 235.327 2.358 20 10 BECDHN CN(Cc1ccc(N)nc1)Cc1ccccc1O ZINC001232369156 978047488 /nfs/dbraw/zinc/04/74/88/978047488.db2.gz TUZWCKUPKKPWJX-UHFFFAOYSA-N 0 3 243.310 2.001 20 10 BECDHN Cc1c([C@H](C)NCc2ccc(N)cc2)cnn1C ZINC001337837556 978520640 /nfs/dbraw/zinc/52/06/40/978520640.db2.gz CENIZNGQROYMKK-JTQLQIEISA-N 0 3 244.342 2.162 20 10 BECDHN CCc1ccc(C[N@@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC001236787143 979732753 /nfs/dbraw/zinc/73/27/53/979732753.db2.gz AFESVGKCDQQHJF-HNNXBMFYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@H+]2CCC[C@](C)(O)C2)c([O-])c1 ZINC001236787143 979732768 /nfs/dbraw/zinc/73/27/68/979732768.db2.gz AFESVGKCDQQHJF-HNNXBMFYSA-N 0 3 249.354 2.301 20 10 BECDHN COc1cc(C)c(C[N@@H+]2CC[C@@H]2C)c([O-])c1 ZINC001236808997 979741514 /nfs/dbraw/zinc/74/15/14/979741514.db2.gz SMUNRMONAVEUOB-JTQLQIEISA-N 0 3 221.300 2.303 20 10 BECDHN COc1cc(C)c(C[N@H+]2CC[C@@H]2C)c([O-])c1 ZINC001236808997 979741521 /nfs/dbraw/zinc/74/15/21/979741521.db2.gz SMUNRMONAVEUOB-JTQLQIEISA-N 0 3 221.300 2.303 20 10 BECDHN CC(C)(C)c1ccc(CN2CCNC2)c(O)c1 ZINC001236850069 979761365 /nfs/dbraw/zinc/76/13/65/979761365.db2.gz JNJVPPSWSZPDBF-UHFFFAOYSA-N 0 3 234.343 2.052 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001237045986 979806555 /nfs/dbraw/zinc/80/65/55/979806555.db2.gz OJTQSEQFYYVSQL-XHDPSFHLSA-N 0 3 249.354 2.328 20 10 BECDHN CC(C)c1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001237045986 979806561 /nfs/dbraw/zinc/80/65/61/979806561.db2.gz OJTQSEQFYYVSQL-XHDPSFHLSA-N 0 3 249.354 2.328 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001237046137 979806867 /nfs/dbraw/zinc/80/68/67/979806867.db2.gz QIZRXLAGOGYXCX-CQSZACIVSA-N 0 3 249.354 2.472 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001237046137 979806864 /nfs/dbraw/zinc/80/68/64/979806864.db2.gz QIZRXLAGOGYXCX-CQSZACIVSA-N 0 3 249.354 2.472 20 10 BECDHN CCOc1ccc(C[N@@H+]2CC[C@H]2C)c([O-])c1 ZINC001237050129 979812128 /nfs/dbraw/zinc/81/21/28/979812128.db2.gz PUUXUCXSSFKIBY-SNVBAGLBSA-N 0 3 221.300 2.385 20 10 BECDHN CCOc1ccc(C[N@H+]2CC[C@H]2C)c([O-])c1 ZINC001237050129 979812135 /nfs/dbraw/zinc/81/21/35/979812135.db2.gz PUUXUCXSSFKIBY-SNVBAGLBSA-N 0 3 221.300 2.385 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](O)[C@@H](C)C1 ZINC001237484283 979908242 /nfs/dbraw/zinc/90/82/42/979908242.db2.gz ACGMPMYLWHWUBQ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](O)[C@@H](C)C1 ZINC001237484283 979908247 /nfs/dbraw/zinc/90/82/47/979908247.db2.gz ACGMPMYLWHWUBQ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001237484684 979912423 /nfs/dbraw/zinc/91/24/23/979912423.db2.gz HOWYZSIXLJNALB-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001237484684 979912428 /nfs/dbraw/zinc/91/24/28/979912428.db2.gz HOWYZSIXLJNALB-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237491994 979917045 /nfs/dbraw/zinc/91/70/45/979917045.db2.gz NOZVDRCTRWAABL-UOJUARBOSA-N 0 3 235.302 2.348 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001237491994 979917050 /nfs/dbraw/zinc/91/70/50/979917050.db2.gz NOZVDRCTRWAABL-UOJUARBOSA-N 0 3 235.302 2.348 20 10 BECDHN Cc1cccc(O)c1CN1C[C@@H](C)OC[C@H]1C ZINC001237489429 979918137 /nfs/dbraw/zinc/91/81/37/979918137.db2.gz ATOJHZBLULCMGU-VXGBXAGGSA-N 0 3 235.327 2.310 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC000716477613 980153171 /nfs/dbraw/zinc/15/31/71/980153171.db2.gz IEXYHKSQQOSJNC-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC000716477613 980153180 /nfs/dbraw/zinc/15/31/80/980153180.db2.gz IEXYHKSQQOSJNC-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN Oc1ccc(CN2CCCCC2)cc1O ZINC000200974994 983972541 /nfs/dbraw/zinc/97/25/41/983972541.db2.gz NNAUCBZEQBBPLJ-UHFFFAOYSA-N 0 3 207.273 2.084 20 10 BECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000718226231 984410997 /nfs/dbraw/zinc/41/09/97/984410997.db2.gz PZUVRFNSCBQMDW-IKARSPCKSA-N 0 3 245.322 2.001 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C1 ZINC000718226231 984411014 /nfs/dbraw/zinc/41/10/14/984411014.db2.gz PZUVRFNSCBQMDW-IKARSPCKSA-N 0 3 245.322 2.001 20 10 BECDHN CCC[N@H+](CC1=NOCC1)Cc1ccccc1[O-] ZINC001559570638 991164078 /nfs/dbraw/zinc/16/40/78/991164078.db2.gz YSPGKVAIUGJWBM-UHFFFAOYSA-N 0 3 248.326 2.381 20 10 BECDHN CCC[N@@H+](CC1=NOCC1)Cc1ccccc1[O-] ZINC001559570638 991164082 /nfs/dbraw/zinc/16/40/82/991164082.db2.gz YSPGKVAIUGJWBM-UHFFFAOYSA-N 0 3 248.326 2.381 20 10 BECDHN CC(C)O[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000701722407 993905720 /nfs/dbraw/zinc/90/57/20/993905720.db2.gz RARUVLTXLGROTM-ZDUSSCGKSA-N 0 3 235.327 2.392 20 10 BECDHN CC(C)O[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000701722407 993905726 /nfs/dbraw/zinc/90/57/26/993905726.db2.gz RARUVLTXLGROTM-ZDUSSCGKSA-N 0 3 235.327 2.392 20 10 BECDHN Nc1ccc(CN[C@@H]2CCCn3nccc32)cc1 ZINC001337837769 995223478 /nfs/dbraw/zinc/22/34/78/995223478.db2.gz FIAXZCDQBCKHCW-CYBMUJFWSA-N 0 3 242.326 2.090 20 10 BECDHN CCC(CC)(CCO)[NH2+]Cc1ccccc1[O-] ZINC000282916682 168321254 /nfs/dbraw/zinc/32/12/54/168321254.db2.gz GVTLFJQPZXADDZ-UHFFFAOYSA-N 0 3 237.343 2.423 20 10 BECDHN C[C@H]([NH2+]CCC(C)(C)O)c1cc(F)ccc1[O-] ZINC000274775954 398164433 /nfs/dbraw/zinc/16/44/33/398164433.db2.gz JCVQZDGAPSVUPV-VIFPVBQESA-N 0 3 241.306 2.343 20 10 BECDHN COC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000296245931 398209412 /nfs/dbraw/zinc/20/94/12/398209412.db2.gz AZNYJGBNBHEANQ-CHWSQXEVSA-N 0 3 247.338 2.394 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)C[C@H]2CCOC2)cc1C ZINC000176100318 178195268 /nfs/dbraw/zinc/19/52/68/178195268.db2.gz ZQSMAUNRNSVDSK-CYBMUJFWSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H]2CCOC2)cc1C ZINC000176100318 178195270 /nfs/dbraw/zinc/19/52/70/178195270.db2.gz ZQSMAUNRNSVDSK-CYBMUJFWSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C2(CO)CCC2)cc1C ZINC000178639334 178197008 /nfs/dbraw/zinc/19/70/08/178197008.db2.gz ZUXJGZZZNPFYND-UHFFFAOYSA-N 0 3 235.327 2.014 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C(C)(C)[C@H](C)O)cc1C ZINC000270623541 178197020 /nfs/dbraw/zinc/19/70/20/178197020.db2.gz CUTACXNTDNKIFA-NSHDSACASA-N 0 3 237.343 2.258 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@]2(C)CCOC2)cc1C ZINC000120132189 178197692 /nfs/dbraw/zinc/19/76/92/178197692.db2.gz MVYHCWMOIAWEDS-AWEZNQCLSA-N 0 3 235.327 2.278 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C2(C)C)cc1C ZINC000189347852 178197807 /nfs/dbraw/zinc/19/78/07/178197807.db2.gz FMQGBMZMTDRNJS-KBPBESRZSA-N 0 3 249.354 2.258 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCC[C@@H]2O)cc1C ZINC000189799822 178197812 /nfs/dbraw/zinc/19/78/12/178197812.db2.gz QKPSNFSBDBCQBZ-KBPBESRZSA-N 0 3 249.354 2.402 20 10 BECDHN CN(C)c1ccc(CNC2CC2)cc1F ZINC000034824255 342881691 /nfs/dbraw/zinc/88/16/91/342881691.db2.gz GTXRGSBTHMJVFB-UHFFFAOYSA-N 0 3 208.280 2.144 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCc2cn[nH]c2)c1 ZINC000289578631 398344038 /nfs/dbraw/zinc/34/40/38/398344038.db2.gz BKGWWEWAHDADHL-LLVKDONJSA-N 0 3 245.326 2.317 20 10 BECDHN CC[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019882185 342961143 /nfs/dbraw/zinc/96/11/43/342961143.db2.gz WMQWTDWBSNRVLH-SECBINFHSA-N 0 3 209.289 2.289 20 10 BECDHN C[C@H](Cn1cccn1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037155767 343337426 /nfs/dbraw/zinc/33/74/26/343337426.db2.gz IKHXLZBOOKRLPN-NEPJUHHUSA-N 0 3 245.326 2.328 20 10 BECDHN CC[C@H]([NH2+]CCn1ccnc1)c1ccccc1[O-] ZINC000041119023 343415280 /nfs/dbraw/zinc/41/52/80/343415280.db2.gz NCURDNIDLLIYKP-ZDUSSCGKSA-N 0 3 245.326 2.330 20 10 BECDHN CC[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1[O-] ZINC000041158725 343415919 /nfs/dbraw/zinc/41/59/19/343415919.db2.gz MBCQPMRHAIUJFL-ZDUSSCGKSA-N 0 3 245.326 2.367 20 10 BECDHN C[C@@H](CCCO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296610389 136376066 /nfs/dbraw/zinc/37/60/66/136376066.db2.gz WGSBFEJQFOHXTD-AAEUAGOBSA-N 0 3 249.354 2.378 20 10 BECDHN C[C@@H](CCCO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296610395 136376076 /nfs/dbraw/zinc/37/60/76/136376076.db2.gz WGSBFEJQFOHXTD-WCQYABFASA-N 0 3 249.354 2.378 20 10 BECDHN Cc1cccc(C[N@H+](CC(C)(C)O)C2CC2)c1[O-] ZINC000189941015 179071366 /nfs/dbraw/zinc/07/13/66/179071366.db2.gz NJWZOAUGLCBWFU-UHFFFAOYSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@@H+](CC(C)(C)O)C2CC2)c1[O-] ZINC000189941015 179071370 /nfs/dbraw/zinc/07/13/70/179071370.db2.gz NJWZOAUGLCBWFU-UHFFFAOYSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@H+](CCO)C2CCC2)c1[O-] ZINC000276013105 179072317 /nfs/dbraw/zinc/07/23/17/179072317.db2.gz OSBYZSOCKZZROX-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@@H+](CCO)C2CCC2)c1[O-] ZINC000276013105 179072322 /nfs/dbraw/zinc/07/23/22/179072322.db2.gz OSBYZSOCKZZROX-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000180308427 179077201 /nfs/dbraw/zinc/07/72/01/179077201.db2.gz ILMDUHATONBAQA-OCCSQVGLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1[O-] ZINC000180308427 179077205 /nfs/dbraw/zinc/07/72/05/179077205.db2.gz ILMDUHATONBAQA-OCCSQVGLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[NH2+]CCc2ccncc2)c1[O-] ZINC000161123252 179091446 /nfs/dbraw/zinc/09/14/46/179091446.db2.gz IHHWHBMCOVBGJU-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1cccc(C[NH2+]CCOC(C)C)c1[O-] ZINC000134122976 179091878 /nfs/dbraw/zinc/09/18/78/179091878.db2.gz KVFNXIDLRBTZMC-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCO[C@H](C)C2)c1[O-] ZINC000224918574 179097355 /nfs/dbraw/zinc/09/73/55/179097355.db2.gz CRIHQLAQYLBQMF-DGCLKSJQSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc(CN[C@@H](C)c2cn[nH]c2)c1O ZINC000224934862 179098818 /nfs/dbraw/zinc/09/88/18/179098818.db2.gz CCDAFDCIBQTBSW-JTQLQIEISA-N 0 3 231.299 2.275 20 10 BECDHN Cc1cccc(C[NH2+][C@H](C)CCN(C)C)c1[O-] ZINC000124755550 179100245 /nfs/dbraw/zinc/10/02/45/179100245.db2.gz BZVMZXUAUPAXSW-GFCCVEGCSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1cccc(C[NH2+][C@H](CO)CC(C)C)c1[O-] ZINC000124734381 179101369 /nfs/dbraw/zinc/10/13/69/179101369.db2.gz XYHJOTXJUQMCRN-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCC[C@@H]2O)c1 ZINC000077204180 191005669 /nfs/dbraw/zinc/00/56/69/191005669.db2.gz YUCCZJZUFGMHCE-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1nccc(CN[C@H](C)c2ccccc2O)n1 ZINC000038037466 180190772 /nfs/dbraw/zinc/19/07/72/180190772.db2.gz XQPBAEPOJUUODA-SNVBAGLBSA-N 0 3 243.310 2.341 20 10 BECDHN CCCCOCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226587960 350441783 /nfs/dbraw/zinc/44/17/83/350441783.db2.gz OEXYXKINNFICJR-UHFFFAOYSA-N 0 3 241.306 2.438 20 10 BECDHN CO[C@@H](C[NH2+]Cc1cc(C)ccc1[O-])C(C)C ZINC000072924443 351761924 /nfs/dbraw/zinc/76/19/24/351761924.db2.gz NWHODWWSIVFQIJ-AWEZNQCLSA-N 0 3 237.343 2.461 20 10 BECDHN CC1(C)C[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000045118287 188123471 /nfs/dbraw/zinc/12/34/71/188123471.db2.gz MBTRBFQAMIJPDL-LBPRGKRZSA-N 0 3 235.283 2.009 20 10 BECDHN CC[C@@](C)(CCO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000230222541 353478608 /nfs/dbraw/zinc/47/86/08/353478608.db2.gz WDYJWDPYIUJXIN-AWEZNQCLSA-N 0 3 237.343 2.341 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)OC ZINC000291150549 364770308 /nfs/dbraw/zinc/77/03/08/364770308.db2.gz ZJPZNXWOYXAKMF-LLVKDONJSA-N 0 3 223.316 2.249 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](C)OC ZINC000291150549 364770315 /nfs/dbraw/zinc/77/03/15/364770315.db2.gz ZJPZNXWOYXAKMF-LLVKDONJSA-N 0 3 223.316 2.249 20 10 BECDHN CC(C)OCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296576795 364784892 /nfs/dbraw/zinc/78/48/92/364784892.db2.gz VQFWQXZBXIINBQ-LBPRGKRZSA-N 0 3 235.327 2.394 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000189937442 183098255 /nfs/dbraw/zinc/09/82/55/183098255.db2.gz LUEIXMAUHZYPNS-DGCLKSJQSA-N 0 3 235.327 2.033 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H](CO)C1CCCC1 ZINC000289441820 183141246 /nfs/dbraw/zinc/14/12/46/183141246.db2.gz AWQQEQUVIMQKGI-ZDUSSCGKSA-N 0 3 235.327 2.033 20 10 BECDHN CCCN(CC)CC[NH2+]Cc1ccccc1[O-] ZINC000223227691 169123593 /nfs/dbraw/zinc/12/35/93/169123593.db2.gz BUZNSBCBNXEGCV-UHFFFAOYSA-N 0 3 236.359 2.214 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCCOC1)CC2 ZINC000296022353 183297230 /nfs/dbraw/zinc/29/72/30/183297230.db2.gz PPXMBBRLEIMERI-YPMHNXCESA-N 0 3 247.338 2.396 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375303690 183301554 /nfs/dbraw/zinc/30/15/54/183301554.db2.gz PLJHAPRPQJLJTA-OAHLLOKOSA-N 0 3 247.338 2.395 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375303690 183301555 /nfs/dbraw/zinc/30/15/55/183301555.db2.gz PLJHAPRPQJLJTA-OAHLLOKOSA-N 0 3 247.338 2.395 20 10 BECDHN Oc1ccccc1CN1CCO[C@H]2CCC[C@H]21 ZINC000228143693 183301571 /nfs/dbraw/zinc/30/15/71/183301571.db2.gz RUDZBBYUMQICIX-OCCSQVGLSA-N 0 3 233.311 2.146 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245605519 183301642 /nfs/dbraw/zinc/30/16/42/183301642.db2.gz MEDLBVSQORUUKF-DZGCQCFKSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@H]2C1 ZINC000245605519 183301645 /nfs/dbraw/zinc/30/16/45/183301645.db2.gz MEDLBVSQORUUKF-DZGCQCFKSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000179556750 183302586 /nfs/dbraw/zinc/30/25/86/183302586.db2.gz ZYGFIGITLLNMLF-LBPRGKRZSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000179556750 183302589 /nfs/dbraw/zinc/30/25/89/183302589.db2.gz ZYGFIGITLLNMLF-LBPRGKRZSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCOCC2(CCC2)C1 ZINC000363916059 183302700 /nfs/dbraw/zinc/30/27/00/183302700.db2.gz DGWWPEMJRFEZHH-UHFFFAOYSA-N 0 3 247.338 2.395 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000363916059 183302703 /nfs/dbraw/zinc/30/27/03/183302703.db2.gz DGWWPEMJRFEZHH-UHFFFAOYSA-N 0 3 247.338 2.395 20 10 BECDHN c1cc(CNC[C@H]2CCCCO2)cc2c1OCC2 ZINC000042817400 183367514 /nfs/dbraw/zinc/36/75/14/183367514.db2.gz KRJAJLKFGDJZNK-CQSZACIVSA-N 0 3 247.338 2.280 20 10 BECDHN CCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019432919 169286734 /nfs/dbraw/zinc/28/67/34/169286734.db2.gz GJILCRDYHDFOAH-SECBINFHSA-N 0 3 209.289 2.461 20 10 BECDHN CCC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000019902665 169370438 /nfs/dbraw/zinc/37/04/38/169370438.db2.gz KDVBDGXTKMDJAT-SECBINFHSA-N 0 3 209.289 2.376 20 10 BECDHN CCC[C@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000293571571 169498878 /nfs/dbraw/zinc/49/88/78/169498878.db2.gz DOSYGWCPZXGKPO-GFCCVEGCSA-N 0 3 223.316 2.297 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CCOC1)c1ccccc1[O-] ZINC000037738244 384002690 /nfs/dbraw/zinc/00/26/90/384002690.db2.gz CERLPWLUEVSMQV-WDEREUQCSA-N 0 3 221.300 2.079 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCOC2)c([O-])c1 ZINC000037738307 384002975 /nfs/dbraw/zinc/00/29/75/384002975.db2.gz XXDJJSLLWFPMSY-RYUDHWBXSA-N 0 3 235.327 2.388 20 10 BECDHN CCOCCNCc1ccc(OC)c(C)c1 ZINC000037269279 383967139 /nfs/dbraw/zinc/96/71/39/383967139.db2.gz PAJQPBYQXDRJOR-UHFFFAOYSA-N 0 3 223.316 2.130 20 10 BECDHN c1cncc(CNCc2ccc3c(c2)CCO3)c1 ZINC000037362845 383971377 /nfs/dbraw/zinc/97/13/77/383971377.db2.gz RQDVPTGGFSENKE-UHFFFAOYSA-N 0 3 240.306 2.306 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)N(C)C2CC2)c1 ZINC000113337412 383976407 /nfs/dbraw/zinc/97/64/07/383976407.db2.gz QEFDVKZAXWAFMX-LBPRGKRZSA-N 0 3 248.370 2.273 20 10 BECDHN CC(C)C[C@@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000040773749 384163444 /nfs/dbraw/zinc/16/34/44/384163444.db2.gz LMHYWINLSCFBQN-NEPJUHHUSA-N 0 3 237.343 2.450 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCO)c1 ZINC000132492010 384234124 /nfs/dbraw/zinc/23/41/24/384234124.db2.gz NJYIWONJCORPHW-QWRGUYRKSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000094617629 384306043 /nfs/dbraw/zinc/30/60/43/384306043.db2.gz KGWNBDVENJSAGH-VHSXEESVSA-N 0 3 239.290 2.218 20 10 BECDHN CC(C)[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618504 384306893 /nfs/dbraw/zinc/30/68/93/384306893.db2.gz JLPVBOJEMWCMFV-BXKDBHETSA-N 0 3 241.306 2.199 20 10 BECDHN C[C@H]([NH2+]C1CCOCC1)c1cc(F)ccc1[O-] ZINC000094617135 384307177 /nfs/dbraw/zinc/30/71/77/384307177.db2.gz LGFNPTAFNOMYMT-VIFPVBQESA-N 0 3 239.290 2.361 20 10 BECDHN CC[C@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618376 384307866 /nfs/dbraw/zinc/30/78/66/384307866.db2.gz OHIGBBFVRRXDBX-RNCFNFMXSA-N 0 3 241.306 2.343 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCCO1)c1cc(F)ccc1[O-] ZINC000094616769 384308163 /nfs/dbraw/zinc/30/81/63/384308163.db2.gz HKWNJFYQTKCCNE-ONGXEEELSA-N 0 3 239.290 2.361 20 10 BECDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CN(C)C ZINC000297388549 384279575 /nfs/dbraw/zinc/27/95/75/384279575.db2.gz RQZXUNOIYIQYNT-YPMHNXCESA-N 0 3 248.370 2.167 20 10 BECDHN COC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000045656687 384399313 /nfs/dbraw/zinc/39/93/13/384399313.db2.gz ZUVUJQUUNBMKSA-QWRGUYRKSA-N 0 3 223.316 2.325 20 10 BECDHN COC[C@@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000045656691 384399612 /nfs/dbraw/zinc/39/96/12/384399612.db2.gz ZUVUJQUUNBMKSA-WDEREUQCSA-N 0 3 223.316 2.325 20 10 BECDHN COC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000183625887 384541853 /nfs/dbraw/zinc/54/18/53/384541853.db2.gz QJKRWFAAPAKNMT-ZWNOBZJWSA-N 0 3 235.327 2.468 20 10 BECDHN CCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000019906999 384555478 /nfs/dbraw/zinc/55/54/78/384555478.db2.gz FWFIOQHWHPLGMO-UHFFFAOYSA-N 0 3 209.289 2.291 20 10 BECDHN CC[C@H](CO)[NH2+][C@H](CC)c1ccccc1[O-] ZINC000020195459 384592019 /nfs/dbraw/zinc/59/20/19/384592019.db2.gz FYWKMVXDQYQHBO-ZYHUDNBSSA-N 0 3 223.316 2.204 20 10 BECDHN COC[C@@H](C)[N@H+](C)Cc1cccc(C)c1[O-] ZINC000162814493 384693170 /nfs/dbraw/zinc/69/31/70/384693170.db2.gz HOCZHUMEKZUMFY-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN COC[C@@H](C)[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000162814493 384693175 /nfs/dbraw/zinc/69/31/75/384693175.db2.gz HOCZHUMEKZUMFY-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN COC[C@H](C)[N@H+](C)Cc1cccc(C)c1[O-] ZINC000162814381 384693857 /nfs/dbraw/zinc/69/38/57/384693857.db2.gz HOCZHUMEKZUMFY-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN COC[C@H](C)[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000162814381 384693866 /nfs/dbraw/zinc/69/38/66/384693866.db2.gz HOCZHUMEKZUMFY-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN CC[C@H]([NH2+]CCN(C)CC)c1ccccc1[O-] ZINC000054109817 384821984 /nfs/dbraw/zinc/82/19/84/384821984.db2.gz LPGSPIVSKOIUPL-ZDUSSCGKSA-N 0 3 236.359 2.385 20 10 BECDHN CC[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000289602083 384789612 /nfs/dbraw/zinc/78/96/12/384789612.db2.gz BPTUNCKWFLTMHG-QWRGUYRKSA-N 0 3 223.316 2.468 20 10 BECDHN CCC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000163979199 384887335 /nfs/dbraw/zinc/88/73/35/384887335.db2.gz MPEBLRXMSQIMEH-MNOVXSKESA-N 0 3 223.316 2.204 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000051991383 385100621 /nfs/dbraw/zinc/10/06/21/385100621.db2.gz FTQQCDKBHHFZSZ-OSMZGAPFSA-N 0 3 235.327 2.346 20 10 BECDHN CO[C@@H](C)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000191210510 385293543 /nfs/dbraw/zinc/29/35/43/385293543.db2.gz ZDJRDIJZURWGSH-IUCAKERBSA-N 0 3 227.279 2.217 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361050126 385527164 /nfs/dbraw/zinc/52/71/64/385527164.db2.gz FUQBVQJKWDANNP-OCCSQVGLSA-N 0 3 247.338 2.251 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000361050126 385527169 /nfs/dbraw/zinc/52/71/69/385527169.db2.gz FUQBVQJKWDANNP-OCCSQVGLSA-N 0 3 247.338 2.251 20 10 BECDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C[C@H](C)O ZINC000183524939 385550533 /nfs/dbraw/zinc/55/05/33/385550533.db2.gz HZYIJRFAMFYFRF-WOPDTQHZSA-N 0 3 237.343 2.450 20 10 BECDHN CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H](C)C1 ZINC000282171380 385739087 /nfs/dbraw/zinc/73/90/87/385739087.db2.gz FAPHZQFJWLIAIS-WCQYABFASA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H](C)C1 ZINC000282171380 385739089 /nfs/dbraw/zinc/73/90/89/385739089.db2.gz FAPHZQFJWLIAIS-WCQYABFASA-N 0 3 235.327 2.392 20 10 BECDHN CC[NH+](CC)Cc1cc(OC)c(OC)cc1[O-] ZINC000183445363 385763955 /nfs/dbraw/zinc/76/39/55/385763955.db2.gz JOTSGLWQYSGCFJ-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCO[C@@H]1C)c1ccccc1[O-] ZINC000226436045 385817587 /nfs/dbraw/zinc/81/75/87/385817587.db2.gz WLJRWYKTQJNOSY-CKYFFXLPSA-N 0 3 221.300 2.220 20 10 BECDHN CS[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000294957409 385929125 /nfs/dbraw/zinc/92/91/25/385929125.db2.gz DMZPUIDEPHGIKE-LLVKDONJSA-N 0 3 241.331 2.469 20 10 BECDHN CS[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000294957409 385929131 /nfs/dbraw/zinc/92/91/31/385929131.db2.gz DMZPUIDEPHGIKE-LLVKDONJSA-N 0 3 241.331 2.469 20 10 BECDHN CC1(C)SC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000282625694 385925978 /nfs/dbraw/zinc/92/59/78/385925978.db2.gz FWEGGHPOFAQILR-LLVKDONJSA-N 0 3 223.341 2.376 20 10 BECDHN CO[C@@H](C)CN(C)Cc1ccc(N(C)C)cc1 ZINC000272781261 385933214 /nfs/dbraw/zinc/93/32/14/385933214.db2.gz HQLZUYCTZZEIHM-LBPRGKRZSA-N 0 3 236.359 2.219 20 10 BECDHN C[C@]1([NH2+]Cc2ccccc2[O-])CCO[C@@H]1C1CC1 ZINC000273057718 385963511 /nfs/dbraw/zinc/96/35/11/385963511.db2.gz DKXYRUXQJSLAII-CABCVRRESA-N 0 3 247.338 2.439 20 10 BECDHN CSC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000125000414 386219620 /nfs/dbraw/zinc/21/96/20/386219620.db2.gz LROAYTKYCCXSAD-SECBINFHSA-N 0 3 211.330 2.233 20 10 BECDHN C[C@H](CO)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618437 386344141 /nfs/dbraw/zinc/34/41/41/386344141.db2.gz IZUOJTRMZPFRHT-JTQLQIEISA-N 0 3 241.306 2.030 20 10 BECDHN CCC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226608111 386345089 /nfs/dbraw/zinc/34/50/89/386345089.db2.gz CWMKZLWBCIXHCL-CYBMUJFWSA-N 0 3 241.306 2.172 20 10 BECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000226612276 386345685 /nfs/dbraw/zinc/34/56/85/386345685.db2.gz SXSBTLLWVZXFJY-UWVGGRQHSA-N 0 3 239.290 2.046 20 10 BECDHN Cn1ccc(CNCc2ccc3c(c2)CCO3)c1 ZINC000267104226 386494765 /nfs/dbraw/zinc/49/47/65/386494765.db2.gz POORQAJFHZEMCK-UHFFFAOYSA-N 0 3 242.322 2.250 20 10 BECDHN CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000135224921 386495767 /nfs/dbraw/zinc/49/57/67/386495767.db2.gz RVTYXBSZZXIBNR-OCCSQVGLSA-N 0 3 235.327 2.439 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCOC[C@@H]2C)c1 ZINC000277665323 386455797 /nfs/dbraw/zinc/45/57/97/386455797.db2.gz FURICZMGTMVKNF-AAEUAGOBSA-N 0 3 235.327 2.215 20 10 BECDHN CC[C@H]1CCN1Cc1cc2c(cc1O)OCO2 ZINC000291816020 386587139 /nfs/dbraw/zinc/58/71/39/386587139.db2.gz DMLVVBDUAKMFLE-JTQLQIEISA-N 0 3 235.283 2.105 20 10 BECDHN C[C@@H]([NH2+]CCC[C@H](C)O)c1ccccc1[O-] ZINC000228042093 386534957 /nfs/dbraw/zinc/53/49/57/386534957.db2.gz MIAXFEBYQZCSHP-WDEREUQCSA-N 0 3 223.316 2.204 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1[O-] ZINC000278559647 386550121 /nfs/dbraw/zinc/55/01/21/386550121.db2.gz OZTIGFDMUFHJSJ-NTZNESFSSA-N 0 3 235.327 2.468 20 10 BECDHN Cc1ccc(O)c(CN2C[C@H](C)OC[C@H]2C)c1 ZINC000245921527 386611551 /nfs/dbraw/zinc/61/15/51/386611551.db2.gz NWFYHKVFZGLUBI-NEPJUHHUSA-N 0 3 235.327 2.310 20 10 BECDHN C[C@H]([NH2+]CCC1(O)CCC1)c1ccccc1[O-] ZINC000284524960 387204247 /nfs/dbraw/zinc/20/42/47/387204247.db2.gz ZKRMRSFQFSZARE-NSHDSACASA-N 0 3 235.327 2.348 20 10 BECDHN CO[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1C ZINC000188298613 387268584 /nfs/dbraw/zinc/26/85/84/387268584.db2.gz ZCAROQQQPKBSJS-RISCZKNCSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1C ZINC000188298613 387268588 /nfs/dbraw/zinc/26/85/88/387268588.db2.gz ZCAROQQQPKBSJS-RISCZKNCSA-N 0 3 235.327 2.249 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000373896625 387403830 /nfs/dbraw/zinc/40/38/30/387403830.db2.gz GZLHDVCLYGEUPI-SWLSCSKDSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC000373896625 387403835 /nfs/dbraw/zinc/40/38/35/387403835.db2.gz GZLHDVCLYGEUPI-SWLSCSKDSA-N 0 3 247.338 2.311 20 10 BECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000527783397 387711401 /nfs/dbraw/zinc/71/14/01/387711401.db2.gz LOLNBHDGOMBIEZ-OLZOCXBDSA-N 0 3 221.300 2.049 20 10 BECDHN CO[C@H](C)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000264937921 387951129 /nfs/dbraw/zinc/95/11/29/387951129.db2.gz DWBXKVXVJHEOEF-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN CO[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000293581492 388390390 /nfs/dbraw/zinc/39/03/90/388390390.db2.gz CAACGHZGQPYTQU-HZMBPMFUSA-N 0 3 235.327 2.468 20 10 BECDHN CO[C@H](C[NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000293581510 388390813 /nfs/dbraw/zinc/39/08/13/388390813.db2.gz CAACGHZGQPYTQU-QMTHXVAHSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@@H](CF)NCc1ccc(N(C)C)cc1 ZINC000288398288 388411813 /nfs/dbraw/zinc/41/18/13/388411813.db2.gz HSYIQZNYLDOIIQ-JTQLQIEISA-N 0 3 210.296 2.200 20 10 BECDHN COC[C@@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295996718 388417158 /nfs/dbraw/zinc/41/71/58/388417158.db2.gz OBXCSYSYYAJWLS-CMPLNLGQSA-N 0 3 235.327 2.252 20 10 BECDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@H]1C ZINC000246894409 388655341 /nfs/dbraw/zinc/65/53/41/388655341.db2.gz NEUDUOIUDCEPGY-ZJUUUORDSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@H]1C ZINC000246894409 388655343 /nfs/dbraw/zinc/65/53/43/388655343.db2.gz NEUDUOIUDCEPGY-ZJUUUORDSA-N 0 3 249.310 2.351 20 10 BECDHN COC1(C)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000272338284 389031131 /nfs/dbraw/zinc/03/11/31/389031131.db2.gz HHYKOPWRSHEETC-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCSC2)c1 ZINC000230705283 135548524 /nfs/dbraw/zinc/54/85/24/135548524.db2.gz IFKVUDVQYYOQSZ-LLVKDONJSA-N 0 3 223.341 2.296 20 10 BECDHN CO[C@@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179939661 410911822 /nfs/dbraw/zinc/91/18/22/410911822.db2.gz ZQQVWCXVDOEWOG-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN CO[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179939661 410911825 /nfs/dbraw/zinc/91/18/25/410911825.db2.gz ZQQVWCXVDOEWOG-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN CO[C@H]1CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179939677 410912061 /nfs/dbraw/zinc/91/20/61/410912061.db2.gz ZQQVWCXVDOEWOG-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN CO[C@H]1CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000179939677 410912065 /nfs/dbraw/zinc/91/20/65/410912065.db2.gz ZQQVWCXVDOEWOG-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN CC(C)[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228794600 167392798 /nfs/dbraw/zinc/39/27/98/167392798.db2.gz CVDDRKODJYBLLS-WCQYABFASA-N 0 3 237.343 2.450 20 10 BECDHN CC[C@H]([NH2+]CC1COC1)c1ccccc1[O-] ZINC000528024748 411244509 /nfs/dbraw/zinc/24/45/09/411244509.db2.gz JOXQHYYXOOOTQW-LBPRGKRZSA-N 0 3 221.300 2.079 20 10 BECDHN CC1CCN(CC[NH2+]Cc2ccccc2[O-])CC1 ZINC000040771214 168181285 /nfs/dbraw/zinc/18/12/85/168181285.db2.gz MBGMHLHEFCPPQI-UHFFFAOYSA-N 0 3 248.370 2.214 20 10 BECDHN CC[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163988038 170924509 /nfs/dbraw/zinc/92/45/09/170924509.db2.gz DGRMXFCVNKCNOQ-WDEREUQCSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@@]1(CO)CCC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000191957462 171212922 /nfs/dbraw/zinc/21/29/22/171212922.db2.gz OEXYPPBFGPSKTP-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@]1(CO)CCC[N@H+]1Cc1cccc(C)c1[O-] ZINC000191957462 171212923 /nfs/dbraw/zinc/21/29/23/171212923.db2.gz OEXYPPBFGPSKTP-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN COC1CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000132138239 174028892 /nfs/dbraw/zinc/02/88/92/174028892.db2.gz UAACSAHSIQQVSD-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN COCC(C)(C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000292857527 174077437 /nfs/dbraw/zinc/07/74/37/174077437.db2.gz UWYPQCCVBKYNGM-UHFFFAOYSA-N 0 3 241.306 2.388 20 10 BECDHN COCC(C)(C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000292857527 174077440 /nfs/dbraw/zinc/07/74/40/174077440.db2.gz UWYPQCCVBKYNGM-UHFFFAOYSA-N 0 3 241.306 2.388 20 10 BECDHN COCCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000162828140 174200873 /nfs/dbraw/zinc/20/08/73/174200873.db2.gz SNYBCEMBJWCYKT-UHFFFAOYSA-N 0 3 223.316 2.217 20 10 BECDHN COCCC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000035628871 174250604 /nfs/dbraw/zinc/25/06/04/174250604.db2.gz YZAXZNLLCKMZGX-LLVKDONJSA-N 0 3 223.316 2.388 20 10 BECDHN COCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2C ZINC000019881676 174338670 /nfs/dbraw/zinc/33/86/70/174338670.db2.gz HKEFEGHTOQIHHR-GHMZBOCLSA-N 0 3 235.327 2.485 20 10 BECDHN COCC[C@@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000162834548 174384293 /nfs/dbraw/zinc/38/42/93/174384293.db2.gz GRNFECDVJJDIBG-LLVKDONJSA-N 0 3 223.316 2.215 20 10 BECDHN CO[C@@H](C)CNCc1ccc(N(C)C)c(F)c1 ZINC000276218323 174703700 /nfs/dbraw/zinc/70/37/00/174703700.db2.gz QCICSYVTZUILRV-JTQLQIEISA-N 0 3 240.322 2.016 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC2(C)C)c1 ZINC000045116526 175158549 /nfs/dbraw/zinc/15/85/49/175158549.db2.gz JBVGFBPBFQWVKD-GFCCVEGCSA-N 0 3 221.300 2.289 20 10 BECDHN COc1ccc([O-])c(C[NH2+][C@@H](C)C2CC2)c1 ZINC000035732853 175159354 /nfs/dbraw/zinc/15/93/54/175159354.db2.gz UTMHRCZQCDVISQ-VIFPVBQESA-N 0 3 221.300 2.289 20 10 BECDHN COc1ccc([O-])c([C@H](C)[NH2+]C2CC2)c1 ZINC000021960814 175160964 /nfs/dbraw/zinc/16/09/64/175160964.db2.gz DHJMGVZTDGYGAK-QMMMGPOBSA-N 0 3 207.273 2.214 20 10 BECDHN COc1cccc(C[N@@H+]2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000211649879 175260751 /nfs/dbraw/zinc/26/07/51/175260751.db2.gz BXXKHHJMXVABSY-PHIMTYICSA-N 0 3 235.327 2.489 20 10 BECDHN COc1cccc(C[N@H+]2C[C@H](C)[C@H](C)C2)c1[O-] ZINC000211649879 175260753 /nfs/dbraw/zinc/26/07/53/175260753.db2.gz BXXKHHJMXVABSY-PHIMTYICSA-N 0 3 235.327 2.489 20 10 BECDHN COc1cccc(C[NH2+]C[C@H]2CCC=CO2)c1[O-] ZINC000275861963 175265721 /nfs/dbraw/zinc/26/57/21/175265721.db2.gz UEFOWCTXALPHMW-GFCCVEGCSA-N 0 3 249.310 2.183 20 10 BECDHN COc1cccc(C[NH2+][C@@H]2CC2(C)C)c1[O-] ZINC000045115879 175267021 /nfs/dbraw/zinc/26/70/21/175267021.db2.gz LKJUSRAJCGPJTB-LLVKDONJSA-N 0 3 221.300 2.289 20 10 BECDHN C[C@@H]1C[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584706 176397048 /nfs/dbraw/zinc/39/70/48/176397048.db2.gz ZIWBMXSUBXSYBN-RKDXNWHRSA-N 0 3 209.264 2.277 20 10 BECDHN C[C@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000071207007 177126747 /nfs/dbraw/zinc/12/67/47/177126747.db2.gz TZCQTGWYUOTWEU-ONGXEEELSA-N 0 3 249.310 2.399 20 10 BECDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)[C@H]1C ZINC000246894378 177163594 /nfs/dbraw/zinc/16/35/94/177163594.db2.gz NEUDUOIUDCEPGY-UWVGGRQHSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)[C@H]1C ZINC000246894378 177163596 /nfs/dbraw/zinc/16/35/96/177163596.db2.gz NEUDUOIUDCEPGY-UWVGGRQHSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCCO1 ZINC000179393466 177263405 /nfs/dbraw/zinc/26/34/05/177263405.db2.gz UWZMHIHWIXPRDL-ZDUSSCGKSA-N 0 3 248.370 2.363 20 10 BECDHN C[C@H](CCCO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296610398 487806421 /nfs/dbraw/zinc/80/64/21/487806421.db2.gz WGSBFEJQFOHXTD-YPMHNXCESA-N 0 3 249.354 2.378 20 10 BECDHN Cc1cc(Cl)cc(C[NH2+]CC2COC2)c1[O-] ZINC000529676522 324375557 /nfs/dbraw/zinc/37/55/57/324375557.db2.gz UXDZSSONAVBFQK-UHFFFAOYSA-N 0 3 241.718 2.090 20 10 BECDHN CC[C@@H](COC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297573458 490308326 /nfs/dbraw/zinc/30/83/26/490308326.db2.gz GUSKRBSNXONXME-NWDGAFQWSA-N 0 3 235.327 2.394 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C[C@H](C)O)C2CC2)cc1C ZINC000848929109 582815499 /nfs/dbraw/zinc/81/54/99/582815499.db2.gz STFUGQZFGKJPBM-LBPRGKRZSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C[C@H](C)O)C2CC2)cc1C ZINC000848929109 582815501 /nfs/dbraw/zinc/81/55/01/582815501.db2.gz STFUGQZFGKJPBM-LBPRGKRZSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[O-] ZINC000857060523 588884721 /nfs/dbraw/zinc/88/47/21/588884721.db2.gz ASTGYYBLIJAXSN-BXUZGUMPSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](CO)C2)c1[O-] ZINC000857060523 588884723 /nfs/dbraw/zinc/88/47/23/588884723.db2.gz ASTGYYBLIJAXSN-BXUZGUMPSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+](C)[C@H]2CCCOC2)c([O-])c1 ZINC000877515514 583322153 /nfs/dbraw/zinc/32/21/53/583322153.db2.gz HRCDIAOUYCWPST-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+](C)[C@H]2CCCOC2)c([O-])c1 ZINC000877515514 583322155 /nfs/dbraw/zinc/32/21/55/583322155.db2.gz HRCDIAOUYCWPST-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000895437192 583674754 /nfs/dbraw/zinc/67/47/54/583674754.db2.gz IJZCVYYACNGGAB-ZIAGYGMSSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000895437192 583674755 /nfs/dbraw/zinc/67/47/55/583674755.db2.gz IJZCVYYACNGGAB-ZIAGYGMSSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000896409103 583800459 /nfs/dbraw/zinc/80/04/59/583800459.db2.gz HFEBLAYSXBYZLV-HIFRSBDPSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1ccc(O)c(CNCC2(F)CC2)c1 ZINC000858238658 588940311 /nfs/dbraw/zinc/94/03/11/588940311.db2.gz BJCYFQXBZBPWDH-UHFFFAOYSA-N 0 3 209.264 2.292 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC2(F)CC2)c1 ZINC000858238658 588940312 /nfs/dbraw/zinc/94/03/12/588940312.db2.gz BJCYFQXBZBPWDH-UHFFFAOYSA-N 0 3 209.264 2.292 20 10 BECDHN C/C=C\C[NH2+]Cc1ccc(OCC)cc1[O-] ZINC000858290135 588942489 /nfs/dbraw/zinc/94/24/89/588942489.db2.gz CNOHZPDCNISKQS-HYXAFXHYSA-N 0 3 221.300 2.457 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCN2C)cc1C ZINC000858307766 588943833 /nfs/dbraw/zinc/94/38/33/588943833.db2.gz QREZKRGPOLLIEP-AWEZNQCLSA-N 0 3 248.370 2.193 20 10 BECDHN Cl/C=C/CNCc1ccc2c(c1)CCO2 ZINC000898435988 584136177 /nfs/dbraw/zinc/13/61/77/584136177.db2.gz OXLILAHYTKCMBO-ORCRQEGFSA-N 0 3 223.703 2.464 20 10 BECDHN CC[C@@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[O-] ZINC000902451966 584607217 /nfs/dbraw/zinc/60/72/17/584607217.db2.gz ZIBKEBMLOFIIEN-TZMCWYRMSA-N 0 3 248.370 2.431 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H](O)C1CC1)CC2 ZINC000903407487 584758868 /nfs/dbraw/zinc/75/88/68/584758868.db2.gz OPZSXGOCKDNMNV-STQMWFEESA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H]([NH2+]CC[C@H](O)C1CC1)c1ccccc1[O-] ZINC000903409491 584759415 /nfs/dbraw/zinc/75/94/15/584759415.db2.gz XTMJCGWVEKHXEU-GWCFXTLKSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000877118646 584890808 /nfs/dbraw/zinc/89/08/08/584890808.db2.gz IPSXIUJHXPZWKF-VXGBXAGGSA-N 0 3 235.327 2.358 20 10 BECDHN CC[C@H]([NH2+]CC(C)(C)N)c1ccc(F)cc1[O-] ZINC000817960977 584992236 /nfs/dbraw/zinc/99/22/36/584992236.db2.gz VKAYMDRNJSHGCU-NSHDSACASA-N 0 3 240.322 2.309 20 10 BECDHN CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(C)cc1[O-] ZINC000817980066 584994610 /nfs/dbraw/zinc/99/46/10/584994610.db2.gz RACLEPHSZDDBHW-DGCLKSJQSA-N 0 3 236.359 2.479 20 10 BECDHN Cc1cccc(C[NH+]2CC3(C2)CCOCC3)c1[O-] ZINC000839141649 585094497 /nfs/dbraw/zinc/09/44/97/585094497.db2.gz VDMJMZNGMWOXKZ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839191225 585097258 /nfs/dbraw/zinc/09/72/58/585097258.db2.gz GXNFXLSYRRNQRB-RYUDHWBXSA-N 0 3 235.352 2.390 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000839191225 585097259 /nfs/dbraw/zinc/09/72/59/585097259.db2.gz GXNFXLSYRRNQRB-RYUDHWBXSA-N 0 3 235.352 2.390 20 10 BECDHN CC[C@H](C[C@@H](C)CO)[NH2+]Cc1ccccc1[O-] ZINC000743499125 585137527 /nfs/dbraw/zinc/13/75/27/585137527.db2.gz HUEMBKMYGDKZLC-DGCLKSJQSA-N 0 3 237.343 2.279 20 10 BECDHN CC[C@@H](C[C@@H](C)CO)[NH2+]Cc1ccccc1[O-] ZINC000743499127 585137658 /nfs/dbraw/zinc/13/76/58/585137658.db2.gz HUEMBKMYGDKZLC-YPMHNXCESA-N 0 3 237.343 2.279 20 10 BECDHN CO[C@@H]1CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000751939182 585239485 /nfs/dbraw/zinc/23/94/85/585239485.db2.gz JIIAXCDXNFSBPD-CYBMUJFWSA-N 0 3 235.327 2.230 20 10 BECDHN CO[C@@H]1CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000751939182 585239486 /nfs/dbraw/zinc/23/94/86/585239486.db2.gz JIIAXCDXNFSBPD-CYBMUJFWSA-N 0 3 235.327 2.230 20 10 BECDHN COCC[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756342426 585318028 /nfs/dbraw/zinc/31/80/28/585318028.db2.gz JPNRSTNJVBJBOY-WCBMZHEXSA-N 0 3 239.290 2.316 20 10 BECDHN C[C@H](O)C[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756343224 585318049 /nfs/dbraw/zinc/31/80/49/585318049.db2.gz VQRTZBFJSCXPPW-NRPADANISA-N 0 3 239.290 2.050 20 10 BECDHN COc1cccc([O-])c1C[N@H+](C)CC(C)C ZINC000768242966 585534891 /nfs/dbraw/zinc/53/48/91/585534891.db2.gz FEZDFBMXMXCTDU-UHFFFAOYSA-N 0 3 223.316 2.489 20 10 BECDHN COc1cccc([O-])c1C[N@@H+](C)CC(C)C ZINC000768242966 585534892 /nfs/dbraw/zinc/53/48/92/585534892.db2.gz FEZDFBMXMXCTDU-UHFFFAOYSA-N 0 3 223.316 2.489 20 10 BECDHN CO[C@@H]1CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000774830335 585666923 /nfs/dbraw/zinc/66/69/23/585666923.db2.gz BZHFTWQWWTULLE-GXTWGEPZSA-N 0 3 235.327 2.297 20 10 BECDHN CC[C@@H](C)[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000775786841 585685017 /nfs/dbraw/zinc/68/50/17/585685017.db2.gz XGSGAOWGLGFAIS-SECBINFHSA-N 0 3 239.315 2.298 20 10 BECDHN COc1cccc(CN2CC=CCC2)c1O ZINC000779159601 585746166 /nfs/dbraw/zinc/74/61/66/585746166.db2.gz NAJUXQCPFSGKQD-UHFFFAOYSA-N 0 3 219.284 2.163 20 10 BECDHN CC[C@@]1(O)CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000779215550 585747435 /nfs/dbraw/zinc/74/74/35/585747435.db2.gz BMKXHOUUADVIJV-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@@]1(O)CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000779215550 585747436 /nfs/dbraw/zinc/74/74/36/585747436.db2.gz BMKXHOUUADVIJV-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H](C)C[C@@H](C)O)cc1C ZINC000782979058 585826589 /nfs/dbraw/zinc/82/65/89/585826589.db2.gz NIGLQCUOQQYPRG-VXGBXAGGSA-N 0 3 237.343 2.258 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@]2(C)CO)cc1C ZINC000789558001 585944003 /nfs/dbraw/zinc/94/40/03/585944003.db2.gz SBJUZERTFLIRJZ-OAHLLOKOSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@]2(C)CO)cc1C ZINC000789558001 585944004 /nfs/dbraw/zinc/94/40/04/585944004.db2.gz SBJUZERTFLIRJZ-OAHLLOKOSA-N 0 3 249.354 2.356 20 10 BECDHN COc1cccc(C[NH+]2[C@@H](C)C[C@@H]2C)c1[O-] ZINC000793220814 586014413 /nfs/dbraw/zinc/01/44/13/586014413.db2.gz QREUSXHJPRCEPB-UWVGGRQHSA-N 0 3 221.300 2.384 20 10 BECDHN COc1cccc([O-])c1C[NH+]1[C@@H](C)C[C@@H]1C ZINC000793220038 586014469 /nfs/dbraw/zinc/01/44/69/586014469.db2.gz JIQCLNFZMGQXBJ-UWVGGRQHSA-N 0 3 221.300 2.384 20 10 BECDHN C[C@@H]1C[C@@H](C)N1Cc1cc2c(cc1O)OCO2 ZINC000793228490 586014670 /nfs/dbraw/zinc/01/46/70/586014670.db2.gz MVULCRKFGCTXHZ-RKDXNWHRSA-N 0 3 235.283 2.104 20 10 BECDHN CC[C@H]([NH2+][C@H]1CCN(C)C1)c1ccc(C)cc1[O-] ZINC000794804384 586049327 /nfs/dbraw/zinc/04/93/27/586049327.db2.gz DSKJCWZTQDQCQF-JSGCOSHPSA-N 0 3 248.370 2.445 20 10 BECDHN CC[C@H]([NH2+]CCN1CCC1)c1ccc(C)cc1[O-] ZINC000794815782 586049412 /nfs/dbraw/zinc/04/94/12/586049412.db2.gz LUBGIFOFTYOKLF-AWEZNQCLSA-N 0 3 248.370 2.447 20 10 BECDHN CCOc1ccc(O)c(CN2CC(C)C2)c1 ZINC000802651293 586307701 /nfs/dbraw/zinc/30/77/01/586307701.db2.gz LPVGUSXNGHWLFY-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)CC[C@H]2C)c1 ZINC000817414051 586801989 /nfs/dbraw/zinc/80/19/89/586801989.db2.gz FDSGWHZLTQEQGD-DGCLKSJQSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)CC[C@H]2C)c1 ZINC000817414051 586801990 /nfs/dbraw/zinc/80/19/90/586801990.db2.gz FDSGWHZLTQEQGD-DGCLKSJQSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)CC[C@H]2C)cc1C ZINC000817413882 586802026 /nfs/dbraw/zinc/80/20/26/586802026.db2.gz CFVOJRPAMLVNAJ-OCCSQVGLSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)cc1C ZINC000817413882 586802027 /nfs/dbraw/zinc/80/20/27/586802027.db2.gz CFVOJRPAMLVNAJ-OCCSQVGLSA-N 0 3 249.354 2.354 20 10 BECDHN CC[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C)cc1[O-] ZINC000817952846 586849284 /nfs/dbraw/zinc/84/92/84/586849284.db2.gz VHEKDXRTSCUKBJ-GXTWGEPZSA-N 0 3 248.370 2.493 20 10 BECDHN CC(C)[C@@H](N)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000817958445 586850543 /nfs/dbraw/zinc/85/05/43/586850543.db2.gz JTJTYJJDPHKKOB-SKDRFNHKSA-N 0 3 240.322 2.165 20 10 BECDHN CCC[NH2+]CCN[C@H](C)c1ccccc1[O-] ZINC000817962041 586852532 /nfs/dbraw/zinc/85/25/32/586852532.db2.gz GYSCKTYIAHQXHW-LLVKDONJSA-N 0 3 222.332 2.042 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)CN)c1ccc(F)cc1[O-] ZINC000817963024 586852896 /nfs/dbraw/zinc/85/28/96/586852896.db2.gz QHGPLHSMGRJHRC-JOYOIKCWSA-N 0 3 240.322 2.167 20 10 BECDHN CCCC[C@@H](CN)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817963888 586854307 /nfs/dbraw/zinc/85/43/07/586854307.db2.gz XNMQCONJVLSRLQ-STQMWFEESA-N 0 3 248.370 2.487 20 10 BECDHN CC[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(C)cc1[O-] ZINC000817965678 586854983 /nfs/dbraw/zinc/85/49/83/586854983.db2.gz TUIOACTZTMHENG-KBPBESRZSA-N 0 3 248.370 2.479 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@H](C)CN)c([O-])c1 ZINC000817966595 586855387 /nfs/dbraw/zinc/85/53/87/586855387.db2.gz QWJNTTKAVPNQJC-MNOVXSKESA-N 0 3 222.332 2.007 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)CN)c1cc(Cl)ccc1[O-] ZINC000817969335 586855864 /nfs/dbraw/zinc/85/58/64/586855864.db2.gz BXHMUWZUSWTMIF-KWQFWETISA-N 0 3 242.750 2.434 20 10 BECDHN C[C@H](N)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817971162 586857823 /nfs/dbraw/zinc/85/78/23/586857823.db2.gz BKEDPUIXLDYCBL-WEDXCCLWSA-N 0 3 238.306 2.016 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CCNC[C@@H]1C)c1ccccc1[O-] ZINC000817970854 586858473 /nfs/dbraw/zinc/85/84/73/586858473.db2.gz GGXBWYUZZDXXCN-FPMFFAJLSA-N 0 3 248.370 2.431 20 10 BECDHN CC[C@H]([NH2+][C@H](C)[C@H](C)N)c1ccccc1[O-] ZINC000817978078 586861263 /nfs/dbraw/zinc/86/12/63/586861263.db2.gz VJHRNLROELEVHC-UMNHJUIQSA-N 0 3 222.332 2.169 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CC2=CCOCC2)cc1C ZINC000824597060 587278691 /nfs/dbraw/zinc/27/86/91/587278691.db2.gz OEHHMIKPAGVXLN-UHFFFAOYSA-N 0 3 247.338 2.445 20 10 BECDHN CC[C@H]([NH2+]Cc1cc(C)c(C)cc1[O-])[C@@H](C)O ZINC000824922270 587293551 /nfs/dbraw/zinc/29/35/51/587293551.db2.gz ZGMFHPBBSIRNHA-YPMHNXCESA-N 0 3 237.343 2.258 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@@H](CCCO)C2)c1[O-] ZINC000825338762 587315800 /nfs/dbraw/zinc/31/58/00/587315800.db2.gz UMFXKPCAUQERRD-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@@H](CCCO)C2)c1[O-] ZINC000825338762 587315802 /nfs/dbraw/zinc/31/58/02/587315802.db2.gz UMFXKPCAUQERRD-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000827006086 587367880 /nfs/dbraw/zinc/36/78/80/587367880.db2.gz MADMPXNHIYVYDS-JOCQHMNTSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H](CO)CC2CC2)c1[O-] ZINC000827359493 587378172 /nfs/dbraw/zinc/37/81/72/587378172.db2.gz OOCFRHZARAHQIH-CYBMUJFWSA-N 0 3 249.354 2.199 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507255 587384423 /nfs/dbraw/zinc/38/44/23/587384423.db2.gz VXEWSUHMRGBBKK-QWRGUYRKSA-N 0 3 233.311 2.243 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H]2C[C@H]2C1 ZINC000827507255 587384425 /nfs/dbraw/zinc/38/44/25/587384425.db2.gz VXEWSUHMRGBBKK-QWRGUYRKSA-N 0 3 233.311 2.243 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)CC1CC1)CC2 ZINC000834693743 587764447 /nfs/dbraw/zinc/76/44/47/587764447.db2.gz QKNMKKIGLOBGQA-STQMWFEESA-N 0 3 247.338 2.130 20 10 BECDHN CCN(C/C=C/c1ccc(N(C)C)cc1)CCO ZINC000835025947 587779158 /nfs/dbraw/zinc/77/91/58/587779158.db2.gz OSRPNBICDYETJQ-AATRIKPKSA-N 0 3 248.370 2.080 20 10 BECDHN COC[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835034288 587779486 /nfs/dbraw/zinc/77/94/86/587779486.db2.gz SMSVZFOYIDQQQC-CFHLNLSMSA-N 0 3 248.370 2.390 20 10 BECDHN CCC1CN(Cc2cc(OC)ccc2O)C1 ZINC000835075640 587780371 /nfs/dbraw/zinc/78/03/71/587780371.db2.gz XOCYJSMISNJHFX-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN CCC1C[NH+](Cc2cc(OC)ccc2[O-])C1 ZINC000835075640 587780372 /nfs/dbraw/zinc/78/03/72/587780372.db2.gz XOCYJSMISNJHFX-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CN)C2CCCC2)c1 ZINC000841086323 587945523 /nfs/dbraw/zinc/94/55/23/587945523.db2.gz IKHMGIKLURMESZ-AWEZNQCLSA-N 0 3 248.370 2.308 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@@H](C)C2)cc1C ZINC000842774422 588062243 /nfs/dbraw/zinc/06/22/43/588062243.db2.gz HLJIGZHPSCRCGI-AAEUAGOBSA-N 0 3 235.327 2.276 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])C1CCNCC1 ZINC000843044092 588075967 /nfs/dbraw/zinc/07/59/67/588075967.db2.gz CSGTWGLMMTZYAS-UHFFFAOYSA-N 0 3 248.370 2.356 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])C1CCNCC1 ZINC000843044092 588075969 /nfs/dbraw/zinc/07/59/69/588075969.db2.gz CSGTWGLMMTZYAS-UHFFFAOYSA-N 0 3 248.370 2.356 20 10 BECDHN COc1cccc([C@@H](C)[NH2+]C2CC2)c1[O-] ZINC000846139214 588258537 /nfs/dbraw/zinc/25/85/37/588258537.db2.gz XRNZZXKLTKJUTK-MRVPVSSYSA-N 0 3 207.273 2.214 20 10 BECDHN COc1cccc([C@@H](C)[NH2+]CCCF)c1[O-] ZINC000846156847 588258642 /nfs/dbraw/zinc/25/86/42/588258642.db2.gz PEXSIGJTOCCHCR-SECBINFHSA-N 0 3 227.279 2.411 20 10 BECDHN CCc1cccc(C[N@H+](C)CC[C@@H](C)O)c1[O-] ZINC000848886864 588417351 /nfs/dbraw/zinc/41/73/51/588417351.db2.gz JPVSGDJGHBXDSY-LLVKDONJSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)CC[C@@H](C)O)c1[O-] ZINC000848886864 588417352 /nfs/dbraw/zinc/41/73/52/588417352.db2.gz JPVSGDJGHBXDSY-LLVKDONJSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1[O-] ZINC000848908202 588419105 /nfs/dbraw/zinc/41/91/05/588419105.db2.gz OWIUUTMKLUGQRX-CYBMUJFWSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1[O-] ZINC000848908202 588419107 /nfs/dbraw/zinc/41/91/07/588419107.db2.gz OWIUUTMKLUGQRX-CYBMUJFWSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+](C)C[C@@H](O)C2CC2)c1[O-] ZINC000848910989 588419510 /nfs/dbraw/zinc/41/95/10/588419510.db2.gz CJIMOAJMSWOQQW-CQSZACIVSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)C[C@@H](O)C2CC2)c1[O-] ZINC000848910989 588419511 /nfs/dbraw/zinc/41/95/11/588419511.db2.gz CJIMOAJMSWOQQW-CQSZACIVSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1[O-] ZINC000848913270 588420394 /nfs/dbraw/zinc/42/03/94/588420394.db2.gz SPMAKDBMHGHKDI-CYBMUJFWSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@H](O)C2(C)C)c1[O-] ZINC000848913270 588420395 /nfs/dbraw/zinc/42/03/95/588420395.db2.gz SPMAKDBMHGHKDI-CYBMUJFWSA-N 0 3 249.354 2.300 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](CO)CC2CC2)c1 ZINC000850389211 588543232 /nfs/dbraw/zinc/54/32/32/588543232.db2.gz UBMHWVKJQQNUKF-ZDUSSCGKSA-N 0 3 249.354 2.199 20 10 BECDHN CC[C@@H]([NH2+]C/C=C/CO)c1ccc(C)cc1[O-] ZINC000850507192 588553331 /nfs/dbraw/zinc/55/33/31/588553331.db2.gz DTJPKNCVGVYNMH-MUBLQREKSA-N 0 3 235.327 2.290 20 10 BECDHN CC[C@H]([NH2+]C/C=C\CO)c1ccc(C)cc1[O-] ZINC000850507194 588553402 /nfs/dbraw/zinc/55/34/02/588553402.db2.gz DTJPKNCVGVYNMH-ZFDPJTLLSA-N 0 3 235.327 2.290 20 10 BECDHN CCOCCC[N@H+](C)Cc1ccccc1[O-] ZINC000119530539 589302246 /nfs/dbraw/zinc/30/22/46/589302246.db2.gz XDIHLLOTGGNGBV-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN CCOCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000119530539 589302248 /nfs/dbraw/zinc/30/22/48/589302248.db2.gz XDIHLLOTGGNGBV-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c([O-])c1 ZINC000872127122 589876504 /nfs/dbraw/zinc/87/65/04/589876504.db2.gz PEJBZKNHSCQFEX-AVGNSLFASA-N 0 3 249.354 2.431 20 10 BECDHN CCCOc1ccc(CN[C@H](C)CO)cc1C ZINC000873020245 589980039 /nfs/dbraw/zinc/98/00/39/589980039.db2.gz LIYKPHIGOHKDDK-GFCCVEGCSA-N 0 3 237.343 2.254 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000124855456 590094300 /nfs/dbraw/zinc/09/43/00/590094300.db2.gz UYBBZVJCZBRDEC-UPJWGTAASA-N 0 3 233.311 2.110 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CCSCC1 ZINC000876560700 590215833 /nfs/dbraw/zinc/21/58/33/590215833.db2.gz JNMLXOQOUGXHRC-UHFFFAOYSA-N 0 3 223.341 2.249 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CCC(CCO)CC1 ZINC000876565378 590216710 /nfs/dbraw/zinc/21/67/10/590216710.db2.gz VXAWIDOMDOLOAT-UHFFFAOYSA-N 0 3 249.354 2.295 20 10 BECDHN CO[C@@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876609382 590221862 /nfs/dbraw/zinc/22/18/62/590221862.db2.gz LYSXNLNVXBDIAQ-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876609382 590221863 /nfs/dbraw/zinc/22/18/63/590221863.db2.gz LYSXNLNVXBDIAQ-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](N(C)C)C1 ZINC000876678046 590229704 /nfs/dbraw/zinc/22/97/04/590229704.db2.gz ALELWFDVRFPPAB-CYBMUJFWSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](N(C)C)C1 ZINC000876678046 590229705 /nfs/dbraw/zinc/22/97/05/590229705.db2.gz ALELWFDVRFPPAB-CYBMUJFWSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCO[C@H](C)C1 ZINC000876685068 590230631 /nfs/dbraw/zinc/23/06/31/590230631.db2.gz XBBXGNSWMLORSP-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCO[C@H](C)C1 ZINC000876685068 590230633 /nfs/dbraw/zinc/23/06/33/590230633.db2.gz XBBXGNSWMLORSP-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN COC[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876725752 590233592 /nfs/dbraw/zinc/23/35/92/590233592.db2.gz PHQPZVLCWJPQDH-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876725752 590233594 /nfs/dbraw/zinc/23/35/94/590233594.db2.gz PHQPZVLCWJPQDH-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CN(C)C)C1 ZINC000876730041 590233993 /nfs/dbraw/zinc/23/39/93/590233993.db2.gz AWNPXGJQWDBSCJ-ZDUSSCGKSA-N 0 3 248.370 2.084 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CN(C)C)C1 ZINC000876730041 590233995 /nfs/dbraw/zinc/23/39/95/590233995.db2.gz AWNPXGJQWDBSCJ-ZDUSSCGKSA-N 0 3 248.370 2.084 20 10 BECDHN CCC1(O)CC[NH+](Cc2ccc(C)cc2[O-])CC1 ZINC000876764517 590239734 /nfs/dbraw/zinc/23/97/34/590239734.db2.gz OHNDXIUFWALYNM-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c([O-])c1 ZINC000876804921 590244444 /nfs/dbraw/zinc/24/44/44/590244444.db2.gz WCOSTJJWKMPLJR-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c([O-])c1 ZINC000876804921 590244446 /nfs/dbraw/zinc/24/44/46/590244446.db2.gz WCOSTJJWKMPLJR-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN CCN1CCC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000876881993 590252811 /nfs/dbraw/zinc/25/28/11/590252811.db2.gz WCCVBLLICDJCKO-ZDUSSCGKSA-N 0 3 248.370 2.275 20 10 BECDHN CSCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876891636 590255276 /nfs/dbraw/zinc/25/52/76/590255276.db2.gz ADSWMDLZSDCMOR-UHFFFAOYSA-N 0 3 211.330 2.153 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CCCO1 ZINC000876923086 590257837 /nfs/dbraw/zinc/25/78/37/590257837.db2.gz COVJAFDKETVSRO-GFCCVEGCSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1C[C@@H]1C ZINC000876931300 590258410 /nfs/dbraw/zinc/25/84/10/590258410.db2.gz LCDOOYXYWSMZCH-WDEREUQCSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCOC1 ZINC000876955949 590260649 /nfs/dbraw/zinc/26/06/49/590260649.db2.gz FLRKVSVQUXBSGY-GFCCVEGCSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCN(C)C(C)C ZINC000876996113 590264910 /nfs/dbraw/zinc/26/49/10/590264910.db2.gz PAXXVJWFGFNPFY-UHFFFAOYSA-N 0 3 236.359 2.130 20 10 BECDHN CCOC1CC(C[NH2+]Cc2ccccc2[O-])C1 ZINC000876996082 590267133 /nfs/dbraw/zinc/26/71/33/590267133.db2.gz NVIUZCNUZIZSRN-UHFFFAOYSA-N 0 3 235.327 2.297 20 10 BECDHN CC[C@H](O)CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877055437 590275453 /nfs/dbraw/zinc/27/54/53/590275453.db2.gz SOFMQTNBQJNBOI-ZDUSSCGKSA-N 0 3 237.343 2.341 20 10 BECDHN CO[C@H](C[NH2+]Cc1c(C)cccc1[O-])C(C)C ZINC000877067466 590276728 /nfs/dbraw/zinc/27/67/28/590276728.db2.gz HWWVWYASQARGMG-CQSZACIVSA-N 0 3 237.343 2.461 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCSC1 ZINC000877072032 590277793 /nfs/dbraw/zinc/27/77/93/590277793.db2.gz GGNRBOPIJJKNIW-SNVBAGLBSA-N 0 3 223.341 2.296 20 10 BECDHN CC[C@@](C)(CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877088224 590281046 /nfs/dbraw/zinc/28/10/46/590281046.db2.gz DGWUXQHGGUTVOQ-AWEZNQCLSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1ccc(C[NH2+]C[C@]2(C)CCCO2)c([O-])c1 ZINC000877103828 590284331 /nfs/dbraw/zinc/28/43/31/590284331.db2.gz SQOZBIQCKFMUEC-AWEZNQCLSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+]CCN2CCC[C@H]2C)c([O-])c1 ZINC000877156561 590293258 /nfs/dbraw/zinc/29/32/58/590293258.db2.gz XIWVMOALJCEXDG-CYBMUJFWSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000877170192 590296102 /nfs/dbraw/zinc/29/61/02/590296102.db2.gz JNISBZDBHKMHBQ-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000877170192 590296104 /nfs/dbraw/zinc/29/61/04/590296104.db2.gz JNISBZDBHKMHBQ-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN COCC1=CC[N@@H+](Cc2c(C)cccc2[O-])CC1 ZINC000877418224 590324707 /nfs/dbraw/zinc/32/47/07/590324707.db2.gz WRLRZNVOUNUUHV-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN COCC1=CC[N@H+](Cc2c(C)cccc2[O-])CC1 ZINC000877418224 590324705 /nfs/dbraw/zinc/32/47/05/590324705.db2.gz WRLRZNVOUNUUHV-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN CCOC[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877436214 590326813 /nfs/dbraw/zinc/32/68/13/590326813.db2.gz OQAQROLHXOTVKZ-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000877463892 590332790 /nfs/dbraw/zinc/33/27/90/590332790.db2.gz JTVGKUFZBFDBCO-HDJSIYSDSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c([O-])c1 ZINC000877463892 590332792 /nfs/dbraw/zinc/33/27/92/590332792.db2.gz JTVGKUFZBFDBCO-HDJSIYSDSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c([O-])c1 ZINC000877479694 590336800 /nfs/dbraw/zinc/33/68/00/590336800.db2.gz VWSXCWLGIZIBCR-WCQYABFASA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)c([O-])c1 ZINC000877479693 590336956 /nfs/dbraw/zinc/33/69/56/590336956.db2.gz VWSXCWLGIZIBCR-DGCLKSJQSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000877489191 590338473 /nfs/dbraw/zinc/33/84/73/590338473.db2.gz LETTVPJLGLICSI-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@](C)(O)CC1 ZINC000877489191 590338475 /nfs/dbraw/zinc/33/84/75/590338475.db2.gz LETTVPJLGLICSI-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@](C)(O)CC2)c([O-])c1 ZINC000877489192 590339133 /nfs/dbraw/zinc/33/91/33/590339133.db2.gz LEVYPFAHFBPZJU-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@](C)(O)CC2)c([O-])c1 ZINC000877489192 590339134 /nfs/dbraw/zinc/33/91/34/590339134.db2.gz LEVYPFAHFBPZJU-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[NH2+]C2(CN(C)C)CCC2)c([O-])c1 ZINC000877497245 590341767 /nfs/dbraw/zinc/34/17/67/590341767.db2.gz KZPZBFYZZYBLNY-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1=CCCOC1 ZINC000877532940 590349866 /nfs/dbraw/zinc/34/98/66/590349866.db2.gz LXXZTYJRFLKGIF-UHFFFAOYSA-N 0 3 233.311 2.137 20 10 BECDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877540666 590350839 /nfs/dbraw/zinc/35/08/39/590350839.db2.gz GFYYHWHHHFTTOO-MNOVXSKESA-N 0 3 223.316 2.214 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(O)CCC[C@@H]1C ZINC000877553084 590355351 /nfs/dbraw/zinc/35/53/51/590355351.db2.gz JAIWJPBITDQMSJ-SWLSCSKDSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+]CC2=CCOCC2)c([O-])c1 ZINC000877558495 590358448 /nfs/dbraw/zinc/35/84/48/590358448.db2.gz JIUZQXYZAOAUPV-UHFFFAOYSA-N 0 3 233.311 2.137 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)CCCO ZINC000877560546 590358567 /nfs/dbraw/zinc/35/85/67/590358567.db2.gz USWYNNLRFSHIEQ-NSHDSACASA-N 0 3 237.343 2.199 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c([O-])c1 ZINC000877610049 590372974 /nfs/dbraw/zinc/37/29/74/590372974.db2.gz KOKAYJYRIAHUHI-BZPMIXESSA-N 0 3 233.311 2.110 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)C23CCC3)c([O-])c1 ZINC000877631089 590377509 /nfs/dbraw/zinc/37/75/09/590377509.db2.gz DZOQSWZMNAYSIR-ZIAGYGMSSA-N 0 3 247.338 2.094 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H](CO)CC2CC2)c([O-])c1 ZINC000877631612 590377618 /nfs/dbraw/zinc/37/76/18/590377618.db2.gz KMRDTKXDGCAFFL-ZDUSSCGKSA-N 0 3 249.354 2.199 20 10 BECDHN CN(C)c1ccc(/C=C/CNC2CSC2)cc1 ZINC000877633957 590378977 /nfs/dbraw/zinc/37/89/77/590378977.db2.gz IVECTPQGNACCRN-ONEGZZNKSA-N 0 3 248.395 2.471 20 10 BECDHN CCCN1CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877635733 590380444 /nfs/dbraw/zinc/38/04/44/590380444.db2.gz CMAKCAYUDMKTAQ-CYBMUJFWSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)c([O-])c1 ZINC000877681288 590390337 /nfs/dbraw/zinc/39/03/37/590390337.db2.gz FXVMSSRAVDBKDV-NTZNESFSSA-N 0 3 235.327 2.356 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000877683294 590390949 /nfs/dbraw/zinc/39/09/49/590390949.db2.gz VSZZHPJQRRGDPF-NQBHXWOUSA-N 0 3 235.327 2.356 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@H]1CCSC1)C2 ZINC000877702978 590395469 /nfs/dbraw/zinc/39/54/69/590395469.db2.gz MWQGOXALONZVLD-SNVBAGLBSA-N 0 3 235.352 2.461 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1CCSC1)C2 ZINC000877702978 590395472 /nfs/dbraw/zinc/39/54/72/590395472.db2.gz MWQGOXALONZVLD-SNVBAGLBSA-N 0 3 235.352 2.461 20 10 BECDHN [O-]c1cccc2c1C[N@H+](CC[C@@H]1CCOC1)C2 ZINC000877702592 590395658 /nfs/dbraw/zinc/39/56/58/590395658.db2.gz CVJZGPVJHPHGEQ-LLVKDONJSA-N 0 3 233.311 2.134 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](CC[C@@H]1CCOC1)C2 ZINC000877702592 590395661 /nfs/dbraw/zinc/39/56/61/590395661.db2.gz CVJZGPVJHPHGEQ-LLVKDONJSA-N 0 3 233.311 2.134 20 10 BECDHN CCSCC[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703030 590396290 /nfs/dbraw/zinc/39/62/90/590396290.db2.gz OXNNMSHJOVAFQJ-UHFFFAOYSA-N 0 3 223.341 2.461 20 10 BECDHN CCSCC[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703030 590396292 /nfs/dbraw/zinc/39/62/92/590396292.db2.gz OXNNMSHJOVAFQJ-UHFFFAOYSA-N 0 3 223.341 2.461 20 10 BECDHN CCSCCN1Cc2cccc(O)c2C1 ZINC000877703030 590396295 /nfs/dbraw/zinc/39/62/95/590396295.db2.gz OXNNMSHJOVAFQJ-UHFFFAOYSA-N 0 3 223.341 2.461 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1CCSC1)C2 ZINC000877702977 590396738 /nfs/dbraw/zinc/39/67/38/590396738.db2.gz MWQGOXALONZVLD-JTQLQIEISA-N 0 3 235.352 2.461 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1CCSC1)C2 ZINC000877702977 590396741 /nfs/dbraw/zinc/39/67/41/590396741.db2.gz MWQGOXALONZVLD-JTQLQIEISA-N 0 3 235.352 2.461 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1[O-] ZINC000877755858 590417907 /nfs/dbraw/zinc/41/79/07/590417907.db2.gz OZTIGFDMUFHJSJ-WZRBSPASSA-N 0 3 235.327 2.468 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@](C)(O)C2)cc1C ZINC000129466566 591303718 /nfs/dbraw/zinc/30/37/18/591303718.db2.gz RHQYVWOMNYJJGF-OAHLLOKOSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@](C)(O)C2)cc1C ZINC000129466566 591303720 /nfs/dbraw/zinc/30/37/20/591303720.db2.gz RHQYVWOMNYJJGF-OAHLLOKOSA-N 0 3 249.354 2.356 20 10 BECDHN CCCN1CCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000212586026 591417169 /nfs/dbraw/zinc/41/71/69/591417169.db2.gz DNKIUFOYTQVOSD-ZDUSSCGKSA-N 0 3 247.342 2.082 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](C)C2)c1 ZINC000132665644 591728563 /nfs/dbraw/zinc/72/85/63/591728563.db2.gz RUNWUJUKDWBTSH-JTQLQIEISA-N 0 3 221.300 2.243 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](C)C2)c1 ZINC000132665644 591728565 /nfs/dbraw/zinc/72/85/65/591728565.db2.gz RUNWUJUKDWBTSH-JTQLQIEISA-N 0 3 221.300 2.243 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000136823889 592151134 /nfs/dbraw/zinc/15/11/34/592151134.db2.gz FHYXHEGYJKYZLH-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]([C@@H](C)O)C2)c1 ZINC000136823889 592151138 /nfs/dbraw/zinc/15/11/38/592151138.db2.gz FHYXHEGYJKYZLH-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1ccccc1[O-] ZINC000886310278 592205114 /nfs/dbraw/zinc/20/51/14/592205114.db2.gz IKPMUSSJLXFZMN-JMSVASOKSA-N 0 3 247.338 2.469 20 10 BECDHN C[C@H]1SCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000220662477 592322139 /nfs/dbraw/zinc/32/21/39/592322139.db2.gz OOZOOQMOHXPQKB-KOLCDFICSA-N 0 3 223.341 2.376 20 10 BECDHN CC1(C)COC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000313022152 634438688 /nfs/dbraw/zinc/43/86/88/634438688.db2.gz BBFKOVFXUMRUIF-YPMHNXCESA-N 0 3 247.338 2.394 20 10 BECDHN C[C@@H]([NH2+][C@H]1COCC1(C)C)c1ccccc1[O-] ZINC000313031859 634439758 /nfs/dbraw/zinc/43/97/58/634439758.db2.gz ZCNCJANKLNEUHZ-MFKMUULPSA-N 0 3 235.327 2.468 20 10 BECDHN CC(C)N(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000054110974 635391772 /nfs/dbraw/zinc/39/17/72/635391772.db2.gz CSKRGNNLDFIRFV-LBPRGKRZSA-N 0 3 236.359 2.383 20 10 BECDHN CCOC[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226607189 635437588 /nfs/dbraw/zinc/43/75/88/635437588.db2.gz ZLHKRXHFSGYRQJ-VIFPVBQESA-N 0 3 227.279 2.046 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccncc1 ZINC000226615565 635435879 /nfs/dbraw/zinc/43/58/79/635435879.db2.gz HETFNVXJOMKDCT-UHFFFAOYSA-N 0 3 246.285 2.259 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000310115243 631482473 /nfs/dbraw/zinc/48/24/73/631482473.db2.gz CAOUWIFCOCKGKE-DGCLKSJQSA-N 0 3 235.327 2.033 20 10 BECDHN CSCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000308959012 631756306 /nfs/dbraw/zinc/75/63/06/631756306.db2.gz YMATZGKWYGIFQL-SNVBAGLBSA-N 0 3 223.341 2.332 20 10 BECDHN C[C@@H]1CC2(CC([NH2+]Cc3ccccc3[O-])C2)CO1 ZINC000924903848 635759184 /nfs/dbraw/zinc/75/91/84/635759184.db2.gz WXMXRPWOWAUHON-NUYPLMSZSA-N 0 3 247.338 2.439 20 10 BECDHN COc1cccc([O-])c1C[NH2+]CCc1ccco1 ZINC000725841483 632765143 /nfs/dbraw/zinc/76/51/43/632765143.db2.gz FFXGVYMMAAFSAC-UHFFFAOYSA-N 0 3 247.294 2.326 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CCO[C@@H]1C)c1ccccc1[O-] ZINC000235528455 632776963 /nfs/dbraw/zinc/77/69/63/632776963.db2.gz STVLIJJLGWFINX-QJPTWQEYSA-N 0 3 235.327 2.468 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCN1CCCC1)CC2 ZINC000310859913 633011514 /nfs/dbraw/zinc/01/15/14/633011514.db2.gz NSASLEXAJLAQHY-ZDUSSCGKSA-N 0 3 246.354 2.065 20 10 BECDHN CC(C)C[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000311184263 633083001 /nfs/dbraw/zinc/08/30/01/633083001.db2.gz ZZUKPHGTZYFDHQ-STQMWFEESA-N 0 3 249.354 2.376 20 10 BECDHN CC(C)C[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311184260 633083355 /nfs/dbraw/zinc/08/33/55/633083355.db2.gz ZZUKPHGTZYFDHQ-CHWSQXEVSA-N 0 3 249.354 2.376 20 10 BECDHN CC[C@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000309445160 633921274 /nfs/dbraw/zinc/92/12/74/633921274.db2.gz JNWKYZYBYMOOHF-ZDUSSCGKSA-N 0 3 221.300 2.051 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](CF)C2)c([O-])c1 ZINC000895569081 636160449 /nfs/dbraw/zinc/16/04/49/636160449.db2.gz RZJBKJKNORZAQS-NSHDSACASA-N 0 3 223.291 2.492 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](CF)C2)c([O-])c1 ZINC000895569081 636160452 /nfs/dbraw/zinc/16/04/52/636160452.db2.gz RZJBKJKNORZAQS-NSHDSACASA-N 0 3 223.291 2.492 20 10 BECDHN CC[C@@H]([NH2+]CCOC)c1ccc(C)cc1[O-] ZINC000310035432 634098373 /nfs/dbraw/zinc/09/83/73/634098373.db2.gz TYGPDVRWNBMJCU-GFCCVEGCSA-N 0 3 223.316 2.388 20 10 BECDHN C[C@H]([NH2+]C1CCOCC1)c1ccccc1[O-] ZINC000036319506 640475252 /nfs/dbraw/zinc/47/52/52/640475252.db2.gz LVPMOSNWWOBLLT-JTQLQIEISA-N 0 3 221.300 2.222 20 10 BECDHN CCOCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000083352846 640692952 /nfs/dbraw/zinc/69/29/52/640692952.db2.gz PVVBVXMKCRPTMS-UHFFFAOYSA-N 0 3 223.316 2.217 20 10 BECDHN CC(C)C[C@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226588104 640777857 /nfs/dbraw/zinc/77/78/57/640777857.db2.gz ZBUYRRTYUGMTJT-LBPRGKRZSA-N 0 3 241.306 2.028 20 10 BECDHN COC[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111327 640845976 /nfs/dbraw/zinc/84/59/76/640845976.db2.gz XZVLXNWYTCWHMV-IUCAKERBSA-N 0 3 227.279 2.217 20 10 BECDHN CC[C@@H]([NH2+]Cc1cncn1C)c1ccccc1[O-] ZINC000271761110 641961244 /nfs/dbraw/zinc/96/12/44/641961244.db2.gz ZPICLXRCPUMBSF-CYBMUJFWSA-N 0 3 245.326 2.367 20 10 BECDHN C[C@H]1OCCN(Cc2ccccc2O)[C@@H]1C ZINC000179575445 642726559 /nfs/dbraw/zinc/72/65/59/642726559.db2.gz GFRAFCAIAAKLRZ-GHMZBOCLSA-N 0 3 221.300 2.001 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CCO)c([O-])c1 ZINC000097439710 643130016 /nfs/dbraw/zinc/13/00/16/643130016.db2.gz KCJAKFGUPZSGJY-VXGBXAGGSA-N 0 3 237.343 2.370 20 10 BECDHN CC(C)[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000184739450 643232579 /nfs/dbraw/zinc/23/25/79/643232579.db2.gz HKHJQFUQIQNHHQ-AWEZNQCLSA-N 0 3 248.370 2.164 20 10 BECDHN CC(C)[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1[O-] ZINC000184739450 643232581 /nfs/dbraw/zinc/23/25/81/643232581.db2.gz HKHJQFUQIQNHHQ-AWEZNQCLSA-N 0 3 248.370 2.164 20 10 BECDHN CSCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000068993757 643435989 /nfs/dbraw/zinc/43/59/89/643435989.db2.gz MMPMHPXWJOGHHI-VIFPVBQESA-N 0 3 211.330 2.406 20 10 BECDHN Cc1ccc(C[NH2+]CCCCCCO)c([O-])c1 ZINC000083365126 643442427 /nfs/dbraw/zinc/44/24/27/643442427.db2.gz LMEOOPGTAAEFTB-UHFFFAOYSA-N 0 3 237.343 2.343 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](CC)CO ZINC000929753564 646285195 /nfs/dbraw/zinc/28/51/95/646285195.db2.gz SCLGDEWLUOTTMI-ZDUSSCGKSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](CC)CO ZINC000929753564 646285199 /nfs/dbraw/zinc/28/51/99/646285199.db2.gz SCLGDEWLUOTTMI-ZDUSSCGKSA-N 0 3 237.343 2.375 20 10 BECDHN CC[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](C)OC ZINC000383341987 710980408 /nfs/dbraw/zinc/98/04/08/710980408.db2.gz RTJVQXPEWIAZEV-JTQLQIEISA-N 0 3 241.306 2.388 20 10 BECDHN CC[N@H+](Cc1cc(F)ccc1[O-])C[C@H](C)OC ZINC000383341987 710980411 /nfs/dbraw/zinc/98/04/11/710980411.db2.gz RTJVQXPEWIAZEV-JTQLQIEISA-N 0 3 241.306 2.388 20 10 BECDHN CN(C)CCSc1ncc(Cl)s1 ZINC000388432577 711061620 /nfs/dbraw/zinc/06/16/20/711061620.db2.gz OFPRLGFNRCTGBL-UHFFFAOYSA-N 0 3 222.766 2.450 20 10 BECDHN C[C@@H]([NH2+][C@H](C)C(C)(C)O)c1cc(F)ccc1[O-] ZINC000393968034 711180832 /nfs/dbraw/zinc/18/08/32/711180832.db2.gz GUULXRILAXOEKK-RKDXNWHRSA-N 0 3 241.306 2.341 20 10 BECDHN CC(C)[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000394073001 711183530 /nfs/dbraw/zinc/18/35/30/711183530.db2.gz RBMJTNRMCKXPTA-NWDGAFQWSA-N 0 3 237.343 2.307 20 10 BECDHN C[C@H]([NH2+]CCOC(F)F)c1ccccc1[O-] ZINC000398163749 711403346 /nfs/dbraw/zinc/40/33/46/711403346.db2.gz CZRQOKFKFBBHDZ-QMMMGPOBSA-N 0 3 231.242 2.282 20 10 BECDHN C[C@]1(C[NH2+][C@H]2CCc3cccc([O-])c32)CCOC1 ZINC000397160227 711378064 /nfs/dbraw/zinc/37/80/64/711378064.db2.gz SNQYIZVQNCCYFG-SWLSCSKDSA-N 0 3 247.338 2.396 20 10 BECDHN CC(C)N(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000386450993 711556796 /nfs/dbraw/zinc/55/67/96/711556796.db2.gz DQAYUEIGMZAWBW-ZDUSSCGKSA-N 0 3 248.370 2.309 20 10 BECDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])[C@@H](C)O ZINC000386727924 711649958 /nfs/dbraw/zinc/64/99/58/711649958.db2.gz UOMOFAXMQPIEJA-FOGDFJRCSA-N 0 3 223.316 2.202 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@@H](C)O1 ZINC000385120439 711665385 /nfs/dbraw/zinc/66/53/85/711665385.db2.gz KASZETQPVKYOTK-LNLATYFQSA-N 0 3 239.290 2.187 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CCN1CCCC1)CC2 ZINC000310859911 711792532 /nfs/dbraw/zinc/79/25/32/711792532.db2.gz NSASLEXAJLAQHY-CYBMUJFWSA-N 0 3 246.354 2.065 20 10 BECDHN CO[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000706532447 712149066 /nfs/dbraw/zinc/14/90/66/712149066.db2.gz QOEQEKBUFLOVHL-SRVKXCTJSA-N 0 3 233.311 2.147 20 10 BECDHN CC[C@]1(C)COCCN1Cc1ccccc1O ZINC000708286166 712185712 /nfs/dbraw/zinc/18/57/12/712185712.db2.gz DUQICNKWFODKOW-CQSZACIVSA-N 0 3 235.327 2.393 20 10 BECDHN CC[C@]1(C)COCC[N@@H+]1Cc1ccccc1[O-] ZINC000708286166 712185714 /nfs/dbraw/zinc/18/57/14/712185714.db2.gz DUQICNKWFODKOW-CQSZACIVSA-N 0 3 235.327 2.393 20 10 BECDHN CC[C@]1(C)COCC[N@H+]1Cc1ccccc1[O-] ZINC000708286166 712185716 /nfs/dbraw/zinc/18/57/16/712185716.db2.gz DUQICNKWFODKOW-CQSZACIVSA-N 0 3 235.327 2.393 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](CF)C1 ZINC000711488413 712306377 /nfs/dbraw/zinc/30/63/77/712306377.db2.gz DCCXOPCXAVFNKY-SECBINFHSA-N 0 3 227.254 2.323 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](CF)C1 ZINC000711488413 712306378 /nfs/dbraw/zinc/30/63/78/712306378.db2.gz DCCXOPCXAVFNKY-SECBINFHSA-N 0 3 227.254 2.323 20 10 BECDHN CO[C@H]1C[C@H](C[NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000714707005 712496493 /nfs/dbraw/zinc/49/64/93/712496493.db2.gz QHWCMJQBCKUIQG-DRZSPHRISA-N 0 3 247.338 2.394 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC000715476032 712520847 /nfs/dbraw/zinc/52/08/47/712520847.db2.gz ZTAWBPIGAPZWFW-ZFWWWQNUSA-N 0 3 247.338 2.439 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(CO)CCC1)CC2 ZINC000717633543 712661900 /nfs/dbraw/zinc/66/19/00/712661900.db2.gz WKBWVXUZWRTRJH-GFCCVEGCSA-N 0 3 247.338 2.132 20 10 BECDHN C[C@@H]([NH2+][C@@H](CO)CC(F)F)c1ccccc1[O-] ZINC000717825473 712682172 /nfs/dbraw/zinc/68/21/72/712682172.db2.gz PJDLZUCABYPQNO-RKDXNWHRSA-N 0 3 245.269 2.059 20 10 BECDHN COc1ccc(C[NH2+]C[C@H]2CCC=CO2)c([O-])c1 ZINC000380226725 712833628 /nfs/dbraw/zinc/83/36/28/712833628.db2.gz OPYMSEJIUQJZLM-CYBMUJFWSA-N 0 3 249.310 2.183 20 10 BECDHN CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000380240615 712843335 /nfs/dbraw/zinc/84/33/35/712843335.db2.gz NDUGCIUPLNPXRR-PWSUYJOCSA-N 0 3 223.341 2.376 20 10 BECDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])CCO1 ZINC000720485465 712846963 /nfs/dbraw/zinc/84/69/63/712846963.db2.gz VGOQUWHJKYKXCY-SNVBAGLBSA-N 0 3 239.290 2.142 20 10 BECDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])CCO1 ZINC000720485465 712846964 /nfs/dbraw/zinc/84/69/64/712846964.db2.gz VGOQUWHJKYKXCY-SNVBAGLBSA-N 0 3 239.290 2.142 20 10 BECDHN COc1cc(O)c(CN(C)C2CC2)c(OC)c1 ZINC001141032199 960221199 /nfs/dbraw/zinc/22/11/99/960221199.db2.gz VIWMBOJGEUMCMF-UHFFFAOYSA-N 0 3 237.299 2.004 20 10 BECDHN COc1cc([O-])c(C[N@H+](C)C2CC2)c(OC)c1 ZINC001141032199 960221206 /nfs/dbraw/zinc/22/12/06/960221206.db2.gz VIWMBOJGEUMCMF-UHFFFAOYSA-N 0 3 237.299 2.004 20 10 BECDHN COc1cc([O-])c(C[N@@H+](C)C2CC2)c(OC)c1 ZINC001141032199 960221214 /nfs/dbraw/zinc/22/12/14/960221214.db2.gz VIWMBOJGEUMCMF-UHFFFAOYSA-N 0 3 237.299 2.004 20 10 BECDHN C[C@H]([NH2+][C@@H]1COC[C@@H]1C)c1ccccc1[O-] ZINC000699474966 965904895 /nfs/dbraw/zinc/90/48/95/965904895.db2.gz LKBXIJOKBYGEKW-JBLDHEPKSA-N 0 3 221.300 2.078 20 10 BECDHN CCSC[C@@H](C)[NH2+]Cc1ccc(O)cc1[O-] ZINC000127508018 1166024747 /nfs/dbraw/zinc/02/47/47/1166024747.db2.gz SYGSMIBNXZXISF-SECBINFHSA-N 0 3 241.356 2.329 20 10 BECDHN CCC[C@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001252789016 983886095 /nfs/dbraw/zinc/88/60/95/983886095.db2.gz MHYKCTRCTNMHQT-ZDUSSCGKSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[C@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001252789016 983886101 /nfs/dbraw/zinc/88/61/01/983886101.db2.gz MHYKCTRCTNMHQT-ZDUSSCGKSA-N 0 3 237.343 2.375 20 10 BECDHN CCOCC[C@H](C)[NH2+]Cc1cccc(O)c1[O-] ZINC001172418591 974691280 /nfs/dbraw/zinc/69/12/80/974691280.db2.gz FHWOURSFSADBGD-JTQLQIEISA-N 0 3 239.315 2.003 20 10 BECDHN CC[C@H]1CN(Cc2ccccc2O)[C@H](C)CO1 ZINC000403885662 971084404 /nfs/dbraw/zinc/08/44/04/971084404.db2.gz PBXOIKSCIMPETB-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN CC[C@@H]1CN(Cc2ccccc2O)[C@H](C)CO1 ZINC000403885658 971085709 /nfs/dbraw/zinc/08/57/09/971085709.db2.gz PBXOIKSCIMPETB-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN Nc1ccc(O[C@@H]2CNCc3ccccc32)cc1 ZINC001218486176 971831569 /nfs/dbraw/zinc/83/15/69/971831569.db2.gz PKCFTEGSXPSIFK-OAHLLOKOSA-N 0 3 240.306 2.492 20 10 BECDHN Cc1c(O)ccc(CN2C[C@H](F)C[C@H]2C)c1O ZINC001140742494 960546219 /nfs/dbraw/zinc/54/62/19/960546219.db2.gz PNCWOCLOQHXNEI-LDYMZIIASA-N 0 3 239.290 2.339 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c([O-])c1 ZINC001140947873 960750264 /nfs/dbraw/zinc/75/02/64/960750264.db2.gz JECQLHVQXMIHJL-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCCO3)C2)c([O-])c1 ZINC001140947873 960750276 /nfs/dbraw/zinc/75/02/76/960750276.db2.gz JECQLHVQXMIHJL-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN CO[C@@H](C)C1C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC001140954790 960758942 /nfs/dbraw/zinc/75/89/42/960758942.db2.gz ZESIDAIQHBRHKD-NSHDSACASA-N 0 3 235.327 2.167 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC2(CC2)C1 ZINC001203550226 966679426 /nfs/dbraw/zinc/67/94/26/966679426.db2.gz NAOWGXVHEQABPW-UHFFFAOYSA-N 0 3 203.285 2.378 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC2(CC2)C1 ZINC001203550226 966679434 /nfs/dbraw/zinc/67/94/34/966679434.db2.gz NAOWGXVHEQABPW-UHFFFAOYSA-N 0 3 203.285 2.378 20 10 BECDHN CC[N@H+](CCn1ccnc1)Cc1ccccc1[O-] ZINC001203561288 966688095 /nfs/dbraw/zinc/68/80/95/966688095.db2.gz PBBLUPRWLKHNQO-UHFFFAOYSA-N 0 3 245.326 2.111 20 10 BECDHN CC[N@@H+](CCn1ccnc1)Cc1ccccc1[O-] ZINC001203561288 966688110 /nfs/dbraw/zinc/68/81/10/966688110.db2.gz PBBLUPRWLKHNQO-UHFFFAOYSA-N 0 3 245.326 2.111 20 10 BECDHN CC(=O)[C@@H]1CCCCN1Cc1ccccc1O ZINC001203558464 966688864 /nfs/dbraw/zinc/68/88/64/966688864.db2.gz IAINNNLQDZMWNU-ZDUSSCGKSA-N 0 3 233.311 2.336 20 10 BECDHN Oc1ccccc1CN1CCc2cccnc2C1 ZINC001203558486 966692112 /nfs/dbraw/zinc/69/21/12/966692112.db2.gz JSFGXNUOEGKTIS-UHFFFAOYSA-N 0 3 240.306 2.346 20 10 BECDHN COc1ccc(C[N@@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001203634752 966713766 /nfs/dbraw/zinc/71/37/66/966713766.db2.gz UDIPMOJVYGVEBW-GXFFZTMASA-N 0 3 233.311 2.385 20 10 BECDHN COc1ccc(C[N@H+]2CCC[C@H]3C[C@H]32)c([O-])c1 ZINC001203634752 966713779 /nfs/dbraw/zinc/71/37/79/966713779.db2.gz UDIPMOJVYGVEBW-GXFFZTMASA-N 0 3 233.311 2.385 20 10 BECDHN CC1(C)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203879145 966805119 /nfs/dbraw/zinc/80/51/19/966805119.db2.gz MNRMDDDXBVPUJO-UHFFFAOYSA-N 0 3 221.300 2.330 20 10 BECDHN Oc1ccc(CN2CC3CCC2CC3)cc1O ZINC001203880450 966810672 /nfs/dbraw/zinc/81/06/72/966810672.db2.gz BGBMAZKUIJZDPR-UHFFFAOYSA-N 0 3 233.311 2.472 20 10 BECDHN C[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccccc1[O-] ZINC001203550121 966933587 /nfs/dbraw/zinc/93/35/87/966933587.db2.gz IMSYQTJBCPEOQD-KOLCDFICSA-N 0 3 209.264 2.325 20 10 BECDHN C[C@@H]1C[C@H](F)C[N@H+]1Cc1ccccc1[O-] ZINC001203550121 966933591 /nfs/dbraw/zinc/93/35/91/966933591.db2.gz IMSYQTJBCPEOQD-KOLCDFICSA-N 0 3 209.264 2.325 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@H]1CCCOC1)CC2 ZINC001207471334 968787721 /nfs/dbraw/zinc/78/77/21/968787721.db2.gz GBZFNXHBDLPBEM-GFCCVEGCSA-N 0 3 247.338 2.177 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1CCCOC1)CC2 ZINC001207471334 968787727 /nfs/dbraw/zinc/78/77/27/968787727.db2.gz GBZFNXHBDLPBEM-GFCCVEGCSA-N 0 3 247.338 2.177 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@H]1CCC=CO1)CC2 ZINC001208883686 969270998 /nfs/dbraw/zinc/27/09/98/969270998.db2.gz XQPRTFBNFRTNCH-CYBMUJFWSA-N 0 3 245.322 2.443 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1CCC=CO1)CC2 ZINC001208883686 969271007 /nfs/dbraw/zinc/27/10/07/969271007.db2.gz XQPRTFBNFRTNCH-CYBMUJFWSA-N 0 3 245.322 2.443 20 10 BECDHN CSCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180173751 970535491 /nfs/dbraw/zinc/53/54/91/970535491.db2.gz NNCXMOOKCQXHQT-UHFFFAOYSA-N 0 3 229.320 2.326 20 10 BECDHN CSCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180173751 970535508 /nfs/dbraw/zinc/53/55/08/970535508.db2.gz NNCXMOOKCQXHQT-UHFFFAOYSA-N 0 3 229.320 2.326 20 10 BECDHN C[C@H]([NH2+]CCc1cncn1C)c1ccccc1[O-] ZINC000401796329 970725013 /nfs/dbraw/zinc/72/50/13/970725013.db2.gz FLKVGIQCKQBWNF-NSHDSACASA-N 0 3 245.326 2.019 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCSC1)CC2 ZINC000390801479 973941832 /nfs/dbraw/zinc/94/18/32/973941832.db2.gz ZLEGRYXTWQJXRW-WDEREUQCSA-N 0 3 235.352 2.475 20 10 BECDHN CO[C@H]1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC001331074206 974584447 /nfs/dbraw/zinc/58/44/47/974584447.db2.gz ALWCKANFOLSFGU-STQMWFEESA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@](C)(CO)C2)c([O-])c1 ZINC001332975954 975349559 /nfs/dbraw/zinc/34/95/59/975349559.db2.gz MKFVRXQDTZBDKX-HNNXBMFYSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@](C)(CO)C2)c([O-])c1 ZINC001332975954 975349565 /nfs/dbraw/zinc/34/95/65/975349565.db2.gz MKFVRXQDTZBDKX-HNNXBMFYSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cnccc1Nc1cccc(F)c1O ZINC001174539601 976828851 /nfs/dbraw/zinc/82/88/51/976828851.db2.gz MNQNIINGKYVYHI-UHFFFAOYSA-N 0 3 218.231 2.400 20 10 BECDHN CC(=O)c1cccc(Nc2ccncc2C)c1O ZINC001174539515 976829845 /nfs/dbraw/zinc/82/98/45/976829845.db2.gz JJQLYCTWKJHZRQ-UHFFFAOYSA-N 0 3 242.278 2.464 20 10 BECDHN CC[C@@H]1CCCN1Cc1cc(O)c(O)c(O)c1 ZINC001233011537 978411207 /nfs/dbraw/zinc/41/12/07/978411207.db2.gz CMYNSHSTIVPTOT-SNVBAGLBSA-N 0 3 237.299 2.178 20 10 BECDHN COc1cc(O)c(CN2CC[C@@H]2C)cc1OC ZINC001236749724 979721763 /nfs/dbraw/zinc/72/17/63/979721763.db2.gz LRVUWUOEEZZVSY-VIFPVBQESA-N 0 3 237.299 2.004 20 10 BECDHN C[NH+](C)Cc1ccc(OCC(F)(F)F)cc1[O-] ZINC001237052402 979810916 /nfs/dbraw/zinc/81/09/16/979810916.db2.gz XKTOLHCPAVSBHB-UHFFFAOYSA-N 0 3 249.232 2.395 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001237486240 979911754 /nfs/dbraw/zinc/91/17/54/979911754.db2.gz ZKXIUOMILAIBOL-DOMZBBRYSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC001237486240 979911762 /nfs/dbraw/zinc/91/17/62/979911762.db2.gz ZKXIUOMILAIBOL-DOMZBBRYSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001237486175 979912963 /nfs/dbraw/zinc/91/29/63/979912963.db2.gz WMJRBALEKAZODZ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@H](O)CC1 ZINC001237486175 979912971 /nfs/dbraw/zinc/91/29/71/979912971.db2.gz WMJRBALEKAZODZ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)C[C@H]1C ZINC001237487136 979915507 /nfs/dbraw/zinc/91/55/07/979915507.db2.gz GSCRVIPWGAUKRD-VXGBXAGGSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)C[C@H]1C ZINC001237487136 979915515 /nfs/dbraw/zinc/91/55/15/979915515.db2.gz GSCRVIPWGAUKRD-VXGBXAGGSA-N 0 3 235.327 2.046 20 10 BECDHN CO[C@H](C)C1C[NH+](Cc2c(C)cccc2[O-])C1 ZINC001237494402 979916865 /nfs/dbraw/zinc/91/68/65/979916865.db2.gz HYNXWFQVRQTDFP-LLVKDONJSA-N 0 3 235.327 2.167 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC001237493311 979917456 /nfs/dbraw/zinc/91/74/56/979917456.db2.gz XHLYMDVQKKIJHK-CQSZACIVSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC001237493311 979917461 /nfs/dbraw/zinc/91/74/61/979917461.db2.gz XHLYMDVQKKIJHK-CQSZACIVSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1nn(C)cc1[C@@H](C)NCc1ccc(N)cc1 ZINC001356082860 983570187 /nfs/dbraw/zinc/57/01/87/983570187.db2.gz GALHZAYPFXZGCI-SNVBAGLBSA-N 0 3 244.342 2.162 20 10 BECDHN CO[C@@H]1CC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000687213444 985268249 /nfs/dbraw/zinc/26/82/49/985268249.db2.gz WABOOYGSNSVHGW-WCQYABFASA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000687213444 985268262 /nfs/dbraw/zinc/26/82/62/985268262.db2.gz WABOOYGSNSVHGW-WCQYABFASA-N 0 3 235.327 2.392 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000688266542 985597934 /nfs/dbraw/zinc/59/79/34/985597934.db2.gz FHTVORSHUPRFIU-LBPRGKRZSA-N 0 3 233.311 2.193 20 10 BECDHN CCn1cc(C[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000688472573 985653552 /nfs/dbraw/zinc/65/35/52/985653552.db2.gz DXOREACGPCACMU-NSHDSACASA-N 0 3 245.326 2.459 20 10 BECDHN COCC1CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001139669828 990798831 /nfs/dbraw/zinc/79/88/31/990798831.db2.gz PRAUFTMKXAGHBB-UHFFFAOYSA-N 0 3 248.370 2.139 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140055612 991509179 /nfs/dbraw/zinc/50/91/79/991509179.db2.gz NBGIYMKTPVIJKI-KPXOXKRLSA-N 0 3 239.265 2.464 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@H]1C[C@H]2F ZINC001140055612 991509188 /nfs/dbraw/zinc/50/91/88/991509188.db2.gz NBGIYMKTPVIJKI-KPXOXKRLSA-N 0 3 239.265 2.464 20 10 BECDHN C[N@@H+](Cc1ccncc1[O-])Cc1ccccc1O ZINC001140280134 991601760 /nfs/dbraw/zinc/60/17/60/991601760.db2.gz CAXIBNQWSPFYTF-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN C[N@H+](Cc1ccncc1[O-])Cc1ccccc1O ZINC001140280134 991601764 /nfs/dbraw/zinc/60/17/64/991601764.db2.gz CAXIBNQWSPFYTF-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN C[C@@H]([NH2+]Cc1cc[nH]c(=O)c1)c1ccccc1[O-] ZINC000392793593 993882247 /nfs/dbraw/zinc/88/22/47/993882247.db2.gz MROIMLGDXNEFQX-SNVBAGLBSA-N 0 3 244.294 2.344 20 10 BECDHN Cc1cc(C[NH2+][C@@H](C)c2ccccc2[O-])n(C)n1 ZINC000284513448 178030624 /nfs/dbraw/zinc/03/06/24/178030624.db2.gz WFMADDJWWDZNLG-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCOC[C@H](C)C2)cc1C ZINC000372230876 178195482 /nfs/dbraw/zinc/19/54/82/178195482.db2.gz HSZUFOCPQLZJRF-LLVKDONJSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCOC[C@H](C)C2)cc1C ZINC000372230876 178195485 /nfs/dbraw/zinc/19/54/85/178195485.db2.gz HSZUFOCPQLZJRF-LLVKDONJSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1C ZINC000280404125 178195786 /nfs/dbraw/zinc/19/57/86/178195786.db2.gz HJXBJFRIONOYMP-CQSZACIVSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)cc1C ZINC000280404125 178195790 /nfs/dbraw/zinc/19/57/90/178195790.db2.gz HJXBJFRIONOYMP-CQSZACIVSA-N 0 3 249.354 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)CCCCO)cc1C ZINC000276625403 178196017 /nfs/dbraw/zinc/19/60/17/178196017.db2.gz INVXUOHTQMVSJA-UHFFFAOYSA-N 0 3 237.343 2.213 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)CCCCO)cc1C ZINC000276625403 178196023 /nfs/dbraw/zinc/19/60/23/178196023.db2.gz INVXUOHTQMVSJA-UHFFFAOYSA-N 0 3 237.343 2.213 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)cc1C ZINC000191719014 178196105 /nfs/dbraw/zinc/19/61/05/178196105.db2.gz PPZUNCASAQCUSO-OCCSQVGLSA-N 0 3 249.354 2.069 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)cc1C ZINC000191719014 178196108 /nfs/dbraw/zinc/19/61/08/178196108.db2.gz PPZUNCASAQCUSO-OCCSQVGLSA-N 0 3 249.354 2.069 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)cc1C ZINC000188829779 178197273 /nfs/dbraw/zinc/19/72/73/178197273.db2.gz RPJVHIXYONRMCG-TZMCWYRMSA-N 0 3 249.354 2.260 20 10 BECDHN C[C@H]([NH2+]CCCn1cccn1)c1ccccc1[O-] ZINC000136420358 398342342 /nfs/dbraw/zinc/34/23/42/398342342.db2.gz FEBHKPYEGRJDJR-LBPRGKRZSA-N 0 3 245.326 2.330 20 10 BECDHN CCN(CC)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000019919342 342963245 /nfs/dbraw/zinc/96/32/45/342963245.db2.gz YYMLPDJNEGIMSG-GFCCVEGCSA-N 0 3 236.359 2.385 20 10 BECDHN CCOc1cccc(C[NH2+]C2CC2)c1[O-] ZINC000022145188 343042221 /nfs/dbraw/zinc/04/22/21/343042221.db2.gz TUIDQXJGPARGSF-UHFFFAOYSA-N 0 3 207.273 2.043 20 10 BECDHN Cc1n[nH]cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000038011189 343365713 /nfs/dbraw/zinc/36/57/13/343365713.db2.gz CKCUQOPQLBFZFH-JTQLQIEISA-N 0 3 231.299 2.275 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1[O-] ZINC000038088665 343370398 /nfs/dbraw/zinc/37/03/98/343370398.db2.gz JKEBYISQFMJCLO-AAEUAGOBSA-N 0 3 236.359 2.383 20 10 BECDHN C[C@@H](CN1CCCCC1)[NH2+]Cc1ccccc1[O-] ZINC000037153506 343336874 /nfs/dbraw/zinc/33/68/74/343336874.db2.gz GMCQOKTUFRXJMW-ZDUSSCGKSA-N 0 3 248.370 2.356 20 10 BECDHN C[C@@H](Cn1cccn1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037155765 343337551 /nfs/dbraw/zinc/33/75/51/343337551.db2.gz IKHXLZBOOKRLPN-RYUDHWBXSA-N 0 3 245.326 2.328 20 10 BECDHN CC(C)(C)[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000194633029 192089265 /nfs/dbraw/zinc/08/92/65/192089265.db2.gz JKTAHWNNDTXRKF-GFCCVEGCSA-N 0 3 241.306 2.028 20 10 BECDHN Cc1cccc(CN2CCOC[C@@H]2C2CC2)c1O ZINC000180425828 179078999 /nfs/dbraw/zinc/07/89/99/179078999.db2.gz LXLFOGUOZCEUBU-CQSZACIVSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@]23CCOC3)c1[O-] ZINC000310969771 179076309 /nfs/dbraw/zinc/07/63/09/179076309.db2.gz PGBBCVCFUUADFI-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@]23CCOC3)c1[O-] ZINC000310969771 179076310 /nfs/dbraw/zinc/07/63/10/179076310.db2.gz PGBBCVCFUUADFI-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1[O-] ZINC000292733046 179082293 /nfs/dbraw/zinc/08/22/93/179082293.db2.gz GLQKADMQSPDHLY-AAEUAGOBSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1[O-] ZINC000292733046 179082296 /nfs/dbraw/zinc/08/22/96/179082296.db2.gz GLQKADMQSPDHLY-AAEUAGOBSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[NH2+]CCN2CC=CCC2)c1[O-] ZINC000279806300 179092221 /nfs/dbraw/zinc/09/22/21/179092221.db2.gz OATXFESYCRYNKW-UHFFFAOYSA-N 0 3 246.354 2.052 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H](C)CCCO)c1[O-] ZINC000294692141 179092368 /nfs/dbraw/zinc/09/23/68/179092368.db2.gz CJIMVENUDKYCBC-NSHDSACASA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H]2C[C@@H]2C)c1[O-] ZINC000162517588 179093610 /nfs/dbraw/zinc/09/36/10/179093610.db2.gz KPGSEGBANNYWPN-JQWIXIFHSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@]2(O)CCC[C@@H]2C)c1[O-] ZINC000294026759 179093828 /nfs/dbraw/zinc/09/38/28/179093828.db2.gz NWMQCKDFPXLBOM-WFASDCNBSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1[O-] ZINC000289863764 179094161 /nfs/dbraw/zinc/09/41/61/179094161.db2.gz VMGLGBWIMILOOA-OLZOCXBDSA-N 0 3 249.354 2.463 20 10 BECDHN Cc1cccc(CNCc2cccnc2)c1O ZINC000083356158 179096781 /nfs/dbraw/zinc/09/67/81/179096781.db2.gz WMVNVTDSECBSHL-UHFFFAOYSA-N 0 3 228.295 2.385 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](CO)CC(C)C)c1[O-] ZINC000124734585 179098730 /nfs/dbraw/zinc/09/87/30/179098730.db2.gz XYHJOTXJUQMCRN-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN CC(C)[C@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000228794629 188184986 /nfs/dbraw/zinc/18/49/86/188184986.db2.gz CVDDRKODJYBLLS-YPMHNXCESA-N 0 3 237.343 2.450 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)CCO)c1 ZINC000231400039 353603493 /nfs/dbraw/zinc/60/34/93/353603493.db2.gz IBRTUPBLNOEAHQ-UHFFFAOYSA-N 0 3 237.343 2.199 20 10 BECDHN CC1(C)[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H]2CCO[C@@H]21 ZINC000134994645 364421450 /nfs/dbraw/zinc/42/14/50/364421450.db2.gz AVXKSXVKZQUNDO-UBHSHLNASA-N 0 3 247.338 2.295 20 10 BECDHN CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296252931 364783822 /nfs/dbraw/zinc/78/38/22/364783822.db2.gz BHXKYNJDIDZYKB-WCFLWFBJSA-N 0 3 247.338 2.129 20 10 BECDHN C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296587153 364785712 /nfs/dbraw/zinc/78/57/12/364785712.db2.gz WMARVVUNTSGSAR-KGYLQXTDSA-N 0 3 247.338 2.394 20 10 BECDHN CO[C@H](C[NH2+]Cc1ccccc1[O-])C(C)C ZINC000072924689 368785735 /nfs/dbraw/zinc/78/57/35/368785735.db2.gz DSSOCPUPZQNCKY-CYBMUJFWSA-N 0 3 223.316 2.153 20 10 BECDHN CCC[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000160028977 169081055 /nfs/dbraw/zinc/08/10/55/169081055.db2.gz CLOPTOXAGLCBBW-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN CCC[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000160028977 169081057 /nfs/dbraw/zinc/08/10/57/169081057.db2.gz CLOPTOXAGLCBBW-UHFFFAOYSA-N 0 3 239.315 2.251 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CC1CCOCC1 ZINC000226589417 183274747 /nfs/dbraw/zinc/27/47/47/183274747.db2.gz ASZTXCNFCJCGBS-UHFFFAOYSA-N 0 3 239.290 2.048 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCCCO1 ZINC000226586501 183275792 /nfs/dbraw/zinc/27/57/92/183275792.db2.gz GXDSIXRVDYDCDH-GFCCVEGCSA-N 0 3 239.290 2.190 20 10 BECDHN [O-]c1c(O)cccc1C[NH2+]C1CCCC1 ZINC000041049379 183290101 /nfs/dbraw/zinc/29/01/01/183290101.db2.gz XZAQPWRQKHCNNI-UHFFFAOYSA-N 0 3 207.273 2.130 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@@H](O)C1)CC2 ZINC000296294916 183298010 /nfs/dbraw/zinc/29/80/10/183298010.db2.gz DIRAZGAHBKMXAR-CYZMBNFOSA-N 0 3 247.338 2.130 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)CC2 ZINC000296294939 183298292 /nfs/dbraw/zinc/29/82/92/183298292.db2.gz DIRAZGAHBKMXAR-WCFLWFBJSA-N 0 3 247.338 2.130 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000293903224 183301336 /nfs/dbraw/zinc/30/13/36/183301336.db2.gz LFOUEJKYCYWWQC-CQSZACIVSA-N 0 3 247.338 2.272 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000293903224 183301338 /nfs/dbraw/zinc/30/13/38/183301338.db2.gz LFOUEJKYCYWWQC-CQSZACIVSA-N 0 3 247.338 2.272 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCCOCC1CC1 ZINC000020190500 183302441 /nfs/dbraw/zinc/30/24/41/183302441.db2.gz JYKOGNMMEKBVKV-UHFFFAOYSA-N 0 3 235.327 2.299 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361050124 183302473 /nfs/dbraw/zinc/30/24/73/183302473.db2.gz FUQBVQJKWDANNP-GXTWGEPZSA-N 0 3 247.338 2.251 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000361050124 183302474 /nfs/dbraw/zinc/30/24/74/183302474.db2.gz FUQBVQJKWDANNP-GXTWGEPZSA-N 0 3 247.338 2.251 20 10 BECDHN c1cc(CN[C@H]2C[C@H]3CC[C@@H]2O3)cc2c1OCC2 ZINC000152913327 183369338 /nfs/dbraw/zinc/36/93/38/183369338.db2.gz BWKKEHMITVNAID-IPYPFGDCSA-N 0 3 245.322 2.031 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C2CCN(C)CC2)c1 ZINC000035629057 383864909 /nfs/dbraw/zinc/86/49/09/383864909.db2.gz UZSAUHOJGXXZKX-GFCCVEGCSA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCN(C)C)c1 ZINC000035628700 383865393 /nfs/dbraw/zinc/86/53/93/383865393.db2.gz CXOGHPNKHUESQS-LBPRGKRZSA-N 0 3 236.359 2.303 20 10 BECDHN Cc1n[nH]cc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000038011190 384053507 /nfs/dbraw/zinc/05/35/07/384053507.db2.gz CKCUQOPQLBFZFH-SNVBAGLBSA-N 0 3 231.299 2.275 20 10 BECDHN CC[C@H](COC)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070625046 384124985 /nfs/dbraw/zinc/12/49/85/384124985.db2.gz ORQIKCXEQRUNGZ-GFCCVEGCSA-N 0 3 223.316 2.215 20 10 BECDHN CC(C)C[C@@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000040773745 384163411 /nfs/dbraw/zinc/16/34/11/384163411.db2.gz LMHYWINLSCFBQN-RYUDHWBXSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000094617627 384306821 /nfs/dbraw/zinc/30/68/21/384306821.db2.gz KGWNBDVENJSAGH-UWVGGRQHSA-N 0 3 239.290 2.218 20 10 BECDHN CC[C@H](CCO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000094948285 384322332 /nfs/dbraw/zinc/32/23/32/384322332.db2.gz DCAHEKRURAUZJV-NWDGAFQWSA-N 0 3 237.343 2.451 20 10 BECDHN CCC[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297649173 384311107 /nfs/dbraw/zinc/31/11/07/384311107.db2.gz KCKVAJMVFZEAIR-VXGBXAGGSA-N 0 3 235.327 2.130 20 10 BECDHN CC[C@@H]([NH2+]CCOC)c1ccccc1[O-] ZINC000019881618 384550412 /nfs/dbraw/zinc/55/04/12/384550412.db2.gz HXJDBLFXBQBNQE-LLVKDONJSA-N 0 3 209.289 2.079 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C)c([O-])c1 ZINC000185142358 384684426 /nfs/dbraw/zinc/68/44/26/384684426.db2.gz FUUUGZLVNKOWJO-STQMWFEESA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000082992803 384733309 /nfs/dbraw/zinc/73/33/09/384733309.db2.gz LSVNJQALSNKPIT-QWRGUYRKSA-N 0 3 223.316 2.122 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC[C@@H](C)O)c([O-])c1 ZINC000082993382 384734905 /nfs/dbraw/zinc/73/49/05/384734905.db2.gz VQYXCZZHHVCBJF-GHMZBOCLSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@@H](CCO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000085125558 384918690 /nfs/dbraw/zinc/91/86/90/384918690.db2.gz YKGXBPIJHKKXTB-QWRGUYRKSA-N 0 3 223.316 2.061 20 10 BECDHN CO[C@@H](C)[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000189125380 385126718 /nfs/dbraw/zinc/12/67/18/385126718.db2.gz GJUREHQQUJQBIV-QWRGUYRKSA-N 0 3 235.327 2.135 20 10 BECDHN CCC1([NH2+]Cc2cc(OC)ccc2[O-])CC1 ZINC000294744860 385161178 /nfs/dbraw/zinc/16/11/78/385161178.db2.gz HQBADVJZKPEBND-UHFFFAOYSA-N 0 3 221.300 2.433 20 10 BECDHN CC1(C)OCC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000294911526 385307903 /nfs/dbraw/zinc/30/79/03/385307903.db2.gz YAOHLZQPOZDOTP-LBPRGKRZSA-N 0 3 239.290 2.188 20 10 BECDHN CO[C@H](C)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000191209608 385292175 /nfs/dbraw/zinc/29/21/75/385292175.db2.gz BZKFSIZQFBJAFO-MNOVXSKESA-N 0 3 223.316 2.386 20 10 BECDHN CC/C=C/C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000294966791 385339075 /nfs/dbraw/zinc/33/90/75/385339075.db2.gz IQFLKWGMMSLZGQ-SNAWJCMRSA-N 0 3 221.300 2.457 20 10 BECDHN C[C@H](CC(C)(C)O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000294972116 385342890 /nfs/dbraw/zinc/34/28/90/385342890.db2.gz FVJNGFNAJXVVFL-SECBINFHSA-N 0 3 241.306 2.170 20 10 BECDHN CCC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168772942 385384480 /nfs/dbraw/zinc/38/44/80/385384480.db2.gz UPEJDQINQRGQLU-MWLCHTKSSA-N 0 3 241.306 2.343 20 10 BECDHN COC[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179573828 385474440 /nfs/dbraw/zinc/47/44/40/385474440.db2.gz DTTDDZXKWNCNEE-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN COC[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179573828 385474442 /nfs/dbraw/zinc/47/44/42/385474442.db2.gz DTTDDZXKWNCNEE-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN CN1CCC[C@@H](C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000179559528 385474479 /nfs/dbraw/zinc/47/44/79/385474479.db2.gz ARUUMLHQYHGOPO-CYBMUJFWSA-N 0 3 248.370 2.166 20 10 BECDHN CN1CCC[C@@H](C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000179559528 385474481 /nfs/dbraw/zinc/47/44/81/385474481.db2.gz ARUUMLHQYHGOPO-CYBMUJFWSA-N 0 3 248.370 2.166 20 10 BECDHN C[C@@H](NCc1ccc(N(C)C)cc1)c1cn[nH]c1 ZINC000229884961 385685626 /nfs/dbraw/zinc/68/56/26/385685626.db2.gz MZHJZNULYRTQSL-LLVKDONJSA-N 0 3 244.342 2.327 20 10 BECDHN C[C@H](NCc1ccc(N(C)C)cc1)c1cn[nH]c1 ZINC000229884965 385686069 /nfs/dbraw/zinc/68/60/69/385686069.db2.gz MZHJZNULYRTQSL-NSHDSACASA-N 0 3 244.342 2.327 20 10 BECDHN CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@H]1O ZINC000271244479 385809566 /nfs/dbraw/zinc/80/95/66/385809566.db2.gz BUTKZVBYTHHKCH-SWLSCSKDSA-N 0 3 249.354 2.212 20 10 BECDHN CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@H]1O ZINC000271244479 385809569 /nfs/dbraw/zinc/80/95/69/385809569.db2.gz BUTKZVBYTHHKCH-SWLSCSKDSA-N 0 3 249.354 2.212 20 10 BECDHN CC(C)COCC[N@H+](C)Cc1ccccc1[O-] ZINC000283150994 385809662 /nfs/dbraw/zinc/80/96/62/385809662.db2.gz CIDRMZSKQNOZCU-UHFFFAOYSA-N 0 3 237.343 2.497 20 10 BECDHN CC(C)COCC[N@@H+](C)Cc1ccccc1[O-] ZINC000283150994 385809663 /nfs/dbraw/zinc/80/96/63/385809663.db2.gz CIDRMZSKQNOZCU-UHFFFAOYSA-N 0 3 237.343 2.497 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]C[C@H](C)O)c([O-])c1 ZINC000283993290 385843955 /nfs/dbraw/zinc/84/39/55/385843955.db2.gz HLKMARQFVMYXQZ-WDEREUQCSA-N 0 3 223.316 2.040 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CCCCO)c([O-])c1 ZINC000284892310 385889811 /nfs/dbraw/zinc/88/98/11/385889811.db2.gz BTLJLHFEMZVMNR-LBPRGKRZSA-N 0 3 237.343 2.432 20 10 BECDHN CC1(C)SC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000282625696 385924095 /nfs/dbraw/zinc/92/40/95/385924095.db2.gz FWEGGHPOFAQILR-NSHDSACASA-N 0 3 223.341 2.376 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)c([O-])c1C ZINC000273399449 385994159 /nfs/dbraw/zinc/99/41/59/385994159.db2.gz MTAWWMCLWVFSGJ-BXKDBHETSA-N 0 3 237.343 2.288 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC000289199483 386270829 /nfs/dbraw/zinc/27/08/29/386270829.db2.gz BGPGVJSFYJTVNA-TZMCWYRMSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCC[C@H]2O)c1 ZINC000289199483 386270835 /nfs/dbraw/zinc/27/08/35/386270835.db2.gz BGPGVJSFYJTVNA-TZMCWYRMSA-N 0 3 235.327 2.046 20 10 BECDHN CCC[C@](C)(O)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000226648571 386354969 /nfs/dbraw/zinc/35/49/69/386354969.db2.gz LMLPUOUOXAKUMP-AWEZNQCLSA-N 0 3 237.343 2.341 20 10 BECDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000289579889 386328220 /nfs/dbraw/zinc/32/82/20/386328220.db2.gz TYAMHHCDCWOIGH-TXEJJXNPSA-N 0 3 239.290 2.141 20 10 BECDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000289579889 386328234 /nfs/dbraw/zinc/32/82/34/386328234.db2.gz TYAMHHCDCWOIGH-TXEJJXNPSA-N 0 3 239.290 2.141 20 10 BECDHN CCC1(C[NH2+]Cc2cc3c(cc2[O-])OCO3)CC1 ZINC000226784491 386390647 /nfs/dbraw/zinc/39/06/47/386390647.db2.gz GPSJDHTYUATXBN-UHFFFAOYSA-N 0 3 249.310 2.401 20 10 BECDHN CCC[C@@]1(CO)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000290225305 386409081 /nfs/dbraw/zinc/40/90/81/386409081.db2.gz SGAVWYIIDCQSQZ-OAHLLOKOSA-N 0 3 249.354 2.377 20 10 BECDHN CCC[C@@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000290225305 386409087 /nfs/dbraw/zinc/40/90/87/386409087.db2.gz SGAVWYIIDCQSQZ-OAHLLOKOSA-N 0 3 249.354 2.377 20 10 BECDHN CC(C)[N@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000291250596 386529264 /nfs/dbraw/zinc/52/92/64/386529264.db2.gz MASUMHSGBUTTQV-CYBMUJFWSA-N 0 3 235.327 2.392 20 10 BECDHN CC(C)[N@@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000291250596 386529273 /nfs/dbraw/zinc/52/92/73/386529273.db2.gz MASUMHSGBUTTQV-CYBMUJFWSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000135224882 386497225 /nfs/dbraw/zinc/49/72/25/386497225.db2.gz RVTYXBSZZXIBNR-JSGCOSHPSA-N 0 3 235.327 2.439 20 10 BECDHN C[C@@H]([NH2+]CCC[C@H](C)O)c1cc(F)ccc1[O-] ZINC000228037963 386534249 /nfs/dbraw/zinc/53/42/49/386534249.db2.gz YLYDQAZEGDTDPW-VHSXEESVSA-N 0 3 241.306 2.343 20 10 BECDHN COC[C@H]1CCN1Cc1cc(C)c(C)cc1O ZINC000293629402 386851114 /nfs/dbraw/zinc/85/11/14/386851114.db2.gz LHMJSQFXERGEQP-CYBMUJFWSA-N 0 3 235.327 2.230 20 10 BECDHN COC[C@H]1CC[N@@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000293629402 386851118 /nfs/dbraw/zinc/85/11/18/386851118.db2.gz LHMJSQFXERGEQP-CYBMUJFWSA-N 0 3 235.327 2.230 20 10 BECDHN COC[C@H]1CC[N@H+]1Cc1cc(C)c(C)cc1[O-] ZINC000293629402 386851124 /nfs/dbraw/zinc/85/11/24/386851124.db2.gz LHMJSQFXERGEQP-CYBMUJFWSA-N 0 3 235.327 2.230 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CC([C@@H]3CCOC3)C2)c1 ZINC000368441931 386973508 /nfs/dbraw/zinc/97/35/08/386973508.db2.gz NKAOUJHWWOZSOS-GFCCVEGCSA-N 0 3 247.338 2.169 20 10 BECDHN CO[C@@H](C)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000191651233 387040254 /nfs/dbraw/zinc/04/02/54/387040254.db2.gz YLBPQGDIDJNASS-DCAQKATOSA-N 0 3 223.316 2.466 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H](C)CO)c([O-])c1 ZINC000284256338 387170092 /nfs/dbraw/zinc/17/00/92/387170092.db2.gz VZAXDJXLTBLKGA-QWRGUYRKSA-N 0 3 223.316 2.040 20 10 BECDHN C[C@H]([NH2+]CCOCC1CC1)c1ccccc1[O-] ZINC000223660689 387936616 /nfs/dbraw/zinc/93/66/16/387936616.db2.gz SIXSSDMENXNMDA-NSHDSACASA-N 0 3 235.327 2.469 20 10 BECDHN CCC[C@](C)(O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000224809776 387939501 /nfs/dbraw/zinc/93/95/01/387939501.db2.gz YOPOFNCIENSKFZ-AWEZNQCLSA-N 0 3 237.343 2.341 20 10 BECDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])CN(C)C ZINC000293688662 388390383 /nfs/dbraw/zinc/39/03/83/388390383.db2.gz NQBQNBAREJFAMS-RYUDHWBXSA-N 0 3 236.359 2.241 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000294936632 388406623 /nfs/dbraw/zinc/40/66/23/388406623.db2.gz ZYCCTHWVIFAORB-ZDUSSCGKSA-N 0 3 235.327 2.358 20 10 BECDHN CCOc1cccc(CN[C@@H](C)CF)c1O ZINC000288402433 388417934 /nfs/dbraw/zinc/41/79/34/388417934.db2.gz IBIDGQZBTWVHEM-VIFPVBQESA-N 0 3 227.279 2.239 20 10 BECDHN CCOc1cccc(CN[C@H](C)CF)c1O ZINC000288402431 388418710 /nfs/dbraw/zinc/41/87/10/388418710.db2.gz IBIDGQZBTWVHEM-SECBINFHSA-N 0 3 227.279 2.239 20 10 BECDHN CC[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)OC ZINC000297490124 388429581 /nfs/dbraw/zinc/42/95/81/388429581.db2.gz ZXRZDDDPEVMKCY-NEPJUHHUSA-N 0 3 235.327 2.394 20 10 BECDHN CC[C@@H](CCO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297625830 388430265 /nfs/dbraw/zinc/43/02/65/388430265.db2.gz JBYNRZCFBRIEAH-WCQYABFASA-N 0 3 249.354 2.378 20 10 BECDHN CC[C@H](CCO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297625849 388430543 /nfs/dbraw/zinc/43/05/43/388430543.db2.gz JBYNRZCFBRIEAH-YPMHNXCESA-N 0 3 249.354 2.378 20 10 BECDHN CSCC[N@H+](C)Cc1ccccc1[O-] ZINC000178856886 397849057 /nfs/dbraw/zinc/84/90/57/397849057.db2.gz UYEOOQJAXXFGCP-UHFFFAOYSA-N 0 3 211.330 2.187 20 10 BECDHN CSCC[N@@H+](C)Cc1ccccc1[O-] ZINC000178856886 397849060 /nfs/dbraw/zinc/84/90/60/397849060.db2.gz UYEOOQJAXXFGCP-UHFFFAOYSA-N 0 3 211.330 2.187 20 10 BECDHN C[C@H](CO)[NH2+][C@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185113792 397871402 /nfs/dbraw/zinc/87/14/02/397871402.db2.gz TUFWWGHRZGAJFF-GHMZBOCLSA-N 0 3 249.354 2.302 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000185816576 397873748 /nfs/dbraw/zinc/87/37/48/397873748.db2.gz NJDICMAYZMVRFE-OOPCZODUSA-N 0 3 235.327 2.117 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292812968 398109232 /nfs/dbraw/zinc/10/92/32/398109232.db2.gz OZPODOWNJDZUNX-AAEUAGOBSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)c1 ZINC000292812968 398109237 /nfs/dbraw/zinc/10/92/37/398109237.db2.gz OZPODOWNJDZUNX-AAEUAGOBSA-N 0 3 235.327 2.046 20 10 BECDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)C[C@H](C)O ZINC000297677354 410046073 /nfs/dbraw/zinc/04/60/73/410046073.db2.gz LITRGGGYUGOBLM-MDZLAQPJSA-N 0 3 249.354 2.376 20 10 BECDHN CC(C)[C@@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297622498 167392884 /nfs/dbraw/zinc/39/28/84/167392884.db2.gz IZGOUEPSEOJONB-CHWSQXEVSA-N 0 3 249.354 2.376 20 10 BECDHN CC[C@H](CNCc1ccc2c(c1)CCO2)OC ZINC000289890395 171438973 /nfs/dbraw/zinc/43/89/73/171438973.db2.gz SQCXZYAIHGGTEB-CYBMUJFWSA-N 0 3 235.327 2.136 20 10 BECDHN CC[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000289602084 171439785 /nfs/dbraw/zinc/43/97/85/171439785.db2.gz BPTUNCKWFLTMHG-WDEREUQCSA-N 0 3 223.316 2.468 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](O)CC)c1ccccc1[O-] ZINC000162330745 171577744 /nfs/dbraw/zinc/57/77/44/171577744.db2.gz DNKLXEYSBRWSJU-CMPLNLGQSA-N 0 3 223.316 2.204 20 10 BECDHN CCn1cc([C@H](C)[NH2+]Cc2ccccc2[O-])cn1 ZINC000130435353 172197682 /nfs/dbraw/zinc/19/76/82/172197682.db2.gz OYJKZWJVWBYYLT-NSHDSACASA-N 0 3 245.326 2.459 20 10 BECDHN CN1CCC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296192902 173032623 /nfs/dbraw/zinc/03/26/23/173032623.db2.gz YQTCABPYSXINQR-OLZOCXBDSA-N 0 3 246.354 2.063 20 10 BECDHN COCC(C)(C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000291648525 174072948 /nfs/dbraw/zinc/07/29/48/174072948.db2.gz CMTKLUZHTHXHEA-UHFFFAOYSA-N 0 3 237.343 2.463 20 10 BECDHN COCCCC[N@H+](C)Cc1ccccc1[O-] ZINC000117881615 174188848 /nfs/dbraw/zinc/18/88/48/174188848.db2.gz PKMSZJKDLLTXMP-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN COCCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000117881615 174188850 /nfs/dbraw/zinc/18/88/50/174188850.db2.gz PKMSZJKDLLTXMP-UHFFFAOYSA-N 0 3 223.316 2.251 20 10 BECDHN COCCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000132720121 174218533 /nfs/dbraw/zinc/21/85/33/174218533.db2.gz NVCRKSBVCJMEGS-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COCCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000132720121 174218534 /nfs/dbraw/zinc/21/85/34/174218534.db2.gz NVCRKSBVCJMEGS-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COCCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020142908 174248997 /nfs/dbraw/zinc/24/89/97/174248997.db2.gz KKBUCUXCWLPMDN-NSHDSACASA-N 0 3 223.316 2.388 20 10 BECDHN COc1ccc(CN[C@]2(C)CCOC2)cc1C ZINC000160180847 175112678 /nfs/dbraw/zinc/11/26/78/175112678.db2.gz YJCZXTRLYXAGED-CQSZACIVSA-N 0 3 235.327 2.272 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C)c1 ZINC000132650526 175157347 /nfs/dbraw/zinc/15/73/47/175157347.db2.gz NAFSTUJLQKKTLR-SNVBAGLBSA-N 0 3 221.300 2.385 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2C)c1 ZINC000132650526 175157349 /nfs/dbraw/zinc/15/73/49/175157349.db2.gz NAFSTUJLQKKTLR-SNVBAGLBSA-N 0 3 221.300 2.385 20 10 BECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)OC)c1 ZINC000182434820 175160591 /nfs/dbraw/zinc/16/05/91/175160591.db2.gz LTLOZWOLUOYZNP-NXEZZACHSA-N 0 3 239.315 2.086 20 10 BECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)OC)c1 ZINC000182434805 175160639 /nfs/dbraw/zinc/16/06/39/175160639.db2.gz LTLOZWOLUOYZNP-VHSXEESVSA-N 0 3 239.315 2.086 20 10 BECDHN COc1cccc(C[NH2+]CC2CCC2)c1[O-] ZINC000037180045 175263327 /nfs/dbraw/zinc/26/33/27/175263327.db2.gz DNLKMHIQQIJPTQ-UHFFFAOYSA-N 0 3 221.300 2.291 20 10 BECDHN COc1cccc(C[NH2+]CCc2ccco2)c1[O-] ZINC000035661705 175264877 /nfs/dbraw/zinc/26/48/77/175264877.db2.gz OGCKQDBJCKEKIX-UHFFFAOYSA-N 0 3 247.294 2.326 20 10 BECDHN COc1cccc(CNCc2ccn(C)c2)c1O ZINC000267053301 175265729 /nfs/dbraw/zinc/26/57/29/175265729.db2.gz FPWWJPSLMHCCEI-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN COc1cccc(C[NH2+]Cc2ccn(C)c2)c1[O-] ZINC000267053301 175265730 /nfs/dbraw/zinc/26/57/30/175265730.db2.gz FPWWJPSLMHCCEI-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN COc1cccc(C[NH2+][C@@H](C)C2CC2)c1[O-] ZINC000035733298 175266241 /nfs/dbraw/zinc/26/62/41/175266241.db2.gz INKNTJXBZCCIPM-VIFPVBQESA-N 0 3 221.300 2.289 20 10 BECDHN C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000071207006 176131973 /nfs/dbraw/zinc/13/19/73/176131973.db2.gz TZCQTGWYUOTWEU-KOLCDFICSA-N 0 3 249.310 2.399 20 10 BECDHN C[C@@H]1CCC[C@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000293011520 176152807 /nfs/dbraw/zinc/15/28/07/176152807.db2.gz OAKYCFCQFYEYPT-RISCZKNCSA-N 0 3 235.327 2.033 20 10 BECDHN C[C@H](O)C[C@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297677350 177000178 /nfs/dbraw/zinc/00/01/78/177000178.db2.gz LITRGGGYUGOBLM-GVXVVHGQSA-N 0 3 249.354 2.376 20 10 BECDHN C[C@H]1C[NH+](Cc2ccccc2[O-])C[C@@H]1C ZINC000132752812 177266004 /nfs/dbraw/zinc/26/60/04/177266004.db2.gz ZLYRARXNDQHOJF-QWRGUYRKSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1C1CC1 ZINC000122328132 177331657 /nfs/dbraw/zinc/33/16/57/177331657.db2.gz UHMNEUMQCQJPNL-WCQYABFASA-N 0 3 246.354 2.107 20 10 BECDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000226617577 177331814 /nfs/dbraw/zinc/33/18/14/177331814.db2.gz STTYLWNMTUXDOR-CABZTGNLSA-N 0 3 239.290 2.188 20 10 BECDHN Cc1cccc(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1[O-] ZINC000529640885 324369868 /nfs/dbraw/zinc/36/98/68/324369868.db2.gz DVEAHSQYKWUBJD-DOMZBBRYSA-N 0 3 247.338 2.358 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](CC(C)(C)O)C2CC2)c1 ZINC000189947073 518189346 /nfs/dbraw/zinc/18/93/46/518189346.db2.gz ROSDUYYHHQISDQ-UHFFFAOYSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](CC(C)(C)O)C2CC2)c1 ZINC000189947073 518189347 /nfs/dbraw/zinc/18/93/47/518189347.db2.gz ROSDUYYHHQISDQ-UHFFFAOYSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC3(COC3)C2)cc1C ZINC000853594578 588749950 /nfs/dbraw/zinc/74/99/50/588749950.db2.gz GLMSFNJCTUAOCE-UHFFFAOYSA-N 0 3 247.338 2.231 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC3(COC3)C2)cc1C ZINC000853594578 588749951 /nfs/dbraw/zinc/74/99/51/588749951.db2.gz GLMSFNJCTUAOCE-UHFFFAOYSA-N 0 3 247.338 2.231 20 10 BECDHN C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000854232186 588781327 /nfs/dbraw/zinc/78/13/27/588781327.db2.gz NZUQMHBLVQQNKG-BDAKNGLRSA-N 0 3 242.750 2.304 20 10 BECDHN CNC[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000854232186 588781328 /nfs/dbraw/zinc/78/13/28/588781328.db2.gz NZUQMHBLVQQNKG-BDAKNGLRSA-N 0 3 242.750 2.304 20 10 BECDHN CCC[C@H](C)[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000846014858 582642637 /nfs/dbraw/zinc/64/26/37/582642637.db2.gz AMHXGOAQDQGPOE-WCQYABFASA-N 0 3 237.343 2.279 20 10 BECDHN COc1ccc(C[NH2+]C(C)(C)C)c([O-])c1OC ZINC000893332445 583106781 /nfs/dbraw/zinc/10/67/81/583106781.db2.gz RNKDAWWBNBIOAR-UHFFFAOYSA-N 0 3 239.315 2.298 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C)[C@H](CO)C2)c1 ZINC000857061259 588884887 /nfs/dbraw/zinc/88/48/87/588884887.db2.gz NBBNZIYXJOKPNV-JSGCOSHPSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C)[C@H](CO)C2)c1 ZINC000857061259 588884889 /nfs/dbraw/zinc/88/48/89/588884889.db2.gz NBBNZIYXJOKPNV-JSGCOSHPSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@H+](CCO)C2CCC2)c([O-])c1 ZINC000877465389 583316275 /nfs/dbraw/zinc/31/62/75/583316275.db2.gz WOUHMYIWOFVNBB-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+](CCO)C2CCC2)c([O-])c1 ZINC000877465389 583316277 /nfs/dbraw/zinc/31/62/77/583316277.db2.gz WOUHMYIWOFVNBB-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](C)O2)c([O-])c1 ZINC000877578857 583336761 /nfs/dbraw/zinc/33/67/61/583336761.db2.gz NZDRQTGJHUZCCL-AAEUAGOBSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2COC(C)(C)C2)c([O-])c1 ZINC000877621214 583339761 /nfs/dbraw/zinc/33/97/61/583339761.db2.gz SWVHCJKWQQVHBN-GFCCVEGCSA-N 0 3 235.327 2.358 20 10 BECDHN C[C@H]1OCC[C@@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000878241897 583368529 /nfs/dbraw/zinc/36/85/29/583368529.db2.gz JPZOQRFSRDSPEO-VXGBXAGGSA-N 0 3 235.327 2.249 20 10 BECDHN C[C@H]1OCC[C@@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000878241897 583368531 /nfs/dbraw/zinc/36/85/31/583368531.db2.gz JPZOQRFSRDSPEO-VXGBXAGGSA-N 0 3 235.327 2.249 20 10 BECDHN COc1cc(C)cc(CN2CC(C)C2)c1O ZINC000894610016 583492251 /nfs/dbraw/zinc/49/22/51/583492251.db2.gz UQUZLDKQPPJGSL-UHFFFAOYSA-N 0 3 221.300 2.161 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCCCC[C@H]1CO ZINC000895151505 583606417 /nfs/dbraw/zinc/60/64/17/583606417.db2.gz JZMZNGLDCRNTKS-ZDUSSCGKSA-N 0 3 235.327 2.129 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCCCC[C@H]1CO ZINC000895151505 583606418 /nfs/dbraw/zinc/60/64/18/583606418.db2.gz JZMZNGLDCRNTKS-ZDUSSCGKSA-N 0 3 235.327 2.129 20 10 BECDHN CC1=NO[C@@H](CNCc2cc(C)c(C)cc2O)C1 ZINC000895308333 583645833 /nfs/dbraw/zinc/64/58/33/583645833.db2.gz JPTASDUNNSRRCE-CYBMUJFWSA-N 0 3 248.326 2.263 20 10 BECDHN CC1=NO[C@H](CNCc2ccc(N(C)C)cc2)C1 ZINC000895312610 583648619 /nfs/dbraw/zinc/64/86/19/583648619.db2.gz ZVUWNUJCNYZZKZ-AWEZNQCLSA-N 0 3 247.342 2.007 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CF)C1 ZINC000895572489 583692030 /nfs/dbraw/zinc/69/20/30/583692030.db2.gz FCPLLSBZDHHCPZ-SNVBAGLBSA-N 0 3 239.290 2.192 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CF)C1 ZINC000895572489 583692032 /nfs/dbraw/zinc/69/20/32/583692032.db2.gz FCPLLSBZDHHCPZ-SNVBAGLBSA-N 0 3 239.290 2.192 20 10 BECDHN COC[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000895623962 583697919 /nfs/dbraw/zinc/69/79/19/583697919.db2.gz ZORZMQPAVLJNFM-TXEJJXNPSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H]3CSC[C@@H]3C2)c1[O-] ZINC000895778903 583726445 /nfs/dbraw/zinc/72/64/45/583726445.db2.gz IDRMZRPTQRGYSA-BETUJISGSA-N 0 3 249.379 2.495 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H]3CSC[C@@H]3C2)c1[O-] ZINC000895778903 583726446 /nfs/dbraw/zinc/72/64/46/583726446.db2.gz IDRMZRPTQRGYSA-BETUJISGSA-N 0 3 249.379 2.495 20 10 BECDHN COc1cccc(CNC/C=C\Cl)c1O ZINC000898436299 584136267 /nfs/dbraw/zinc/13/62/67/584136267.db2.gz RUXNQTDQYQRTCV-UTCJRWHESA-N 0 3 227.691 2.243 20 10 BECDHN CC[C@@H]([NH2+]CCCON)c1ccc(C)cc1[O-] ZINC000902425410 584593731 /nfs/dbraw/zinc/59/37/31/584593731.db2.gz NJBJDQWVEFJLBJ-GFCCVEGCSA-N 0 3 238.331 2.022 20 10 BECDHN Cc1cc(O)c(CN2CC[C@@H]2CO)cc1C(C)C ZINC000902629710 584646146 /nfs/dbraw/zinc/64/61/46/584646146.db2.gz ILNXQHATZAEKJE-CYBMUJFWSA-N 0 3 249.354 2.391 20 10 BECDHN CC(C)([NH3+])CCNCc1c([O-])cccc1Cl ZINC000903939177 584823254 /nfs/dbraw/zinc/82/32/54/584823254.db2.gz SWIWYUWTWJUSAC-UHFFFAOYSA-N 0 3 242.750 2.263 20 10 BECDHN CC[C@H](N)C[NH2+][C@@H](CC)c1ccc(C)cc1[O-] ZINC000817980061 584994853 /nfs/dbraw/zinc/99/48/53/584994853.db2.gz RACLEPHSZDDBHW-AAEUAGOBSA-N 0 3 236.359 2.479 20 10 BECDHN Cc1cccc(CN2CC(C(F)F)C2)c1O ZINC000839140847 585094601 /nfs/dbraw/zinc/09/46/01/585094601.db2.gz JHMICDKIBPKMCF-UHFFFAOYSA-N 0 3 227.254 2.398 20 10 BECDHN COCC1(C)CN(Cc2cc(C)ccc2O)C1 ZINC000839143302 585094827 /nfs/dbraw/zinc/09/48/27/585094827.db2.gz KISAHHUDIGXCDV-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN COCC1(C)C[NH+](Cc2cc(C)ccc2[O-])C1 ZINC000839143302 585094828 /nfs/dbraw/zinc/09/48/28/585094828.db2.gz KISAHHUDIGXCDV-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1[O-] ZINC000839192879 585097964 /nfs/dbraw/zinc/09/79/64/585097964.db2.gz PXFLLVZWGYYBKW-RYUDHWBXSA-N 0 3 235.352 2.390 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c1[O-] ZINC000839192879 585097965 /nfs/dbraw/zinc/09/79/65/585097965.db2.gz PXFLLVZWGYYBKW-RYUDHWBXSA-N 0 3 235.352 2.390 20 10 BECDHN c1cc(CNCc2ccc3c(c2)CCO3)c[nH]1 ZINC000754884092 585292117 /nfs/dbraw/zinc/29/21/17/585292117.db2.gz XLRXKBXAPRYSCY-UHFFFAOYSA-N 0 3 228.295 2.239 20 10 BECDHN C[C@H](O)C[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756343226 585317844 /nfs/dbraw/zinc/31/78/44/585317844.db2.gz VQRTZBFJSCXPPW-WEDXCCLWSA-N 0 3 239.290 2.050 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)c([O-])c1C ZINC000756536912 585320573 /nfs/dbraw/zinc/32/05/73/585320573.db2.gz XFNCULUGMBEVPW-OLZOCXBDSA-N 0 3 248.370 2.364 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](CCO)C(C)C)cc1C ZINC000768176076 585533412 /nfs/dbraw/zinc/53/34/12/585533412.db2.gz YPTPZWLCUVBUGN-UHFFFAOYSA-N 0 3 237.343 2.212 20 10 BECDHN Cc1cc([O-])c(C[N@H+](CCO)C(C)C)cc1C ZINC000768176076 585533413 /nfs/dbraw/zinc/53/34/13/585533413.db2.gz YPTPZWLCUVBUGN-UHFFFAOYSA-N 0 3 237.343 2.212 20 10 BECDHN CC[N@H+](Cc1c([O-])cccc1OC)C1CC1 ZINC000768303617 585535446 /nfs/dbraw/zinc/53/54/46/585535446.db2.gz ZPDSDQDDTXTFFL-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CC[N@@H+](Cc1c([O-])cccc1OC)C1CC1 ZINC000768303617 585535447 /nfs/dbraw/zinc/53/54/47/585535447.db2.gz ZPDSDQDDTXTFFL-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CCC1(C)C ZINC000769447148 585556582 /nfs/dbraw/zinc/55/65/82/585556582.db2.gz STYCCYIHZOTBPR-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CCC1(C)C ZINC000769447148 585556583 /nfs/dbraw/zinc/55/65/83/585556583.db2.gz STYCCYIHZOTBPR-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000770511093 585575229 /nfs/dbraw/zinc/57/52/29/585575229.db2.gz ZRXBOZGMEZKHHU-CQSZACIVSA-N 0 3 246.354 2.061 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C2CC2)C1 ZINC000770511093 585575230 /nfs/dbraw/zinc/57/52/30/585575230.db2.gz ZRXBOZGMEZKHHU-CQSZACIVSA-N 0 3 246.354 2.061 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CCO)C2)c1[O-] ZINC000775681232 585683223 /nfs/dbraw/zinc/68/32/23/585683223.db2.gz NRXRLOBGRXKHOD-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@H](CCO)C2)c1[O-] ZINC000775681232 585683224 /nfs/dbraw/zinc/68/32/24/585683224.db2.gz NRXRLOBGRXKHOD-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN COc1cc(O)c(CN2CC=CCC2)cc1OC ZINC000778577953 585737747 /nfs/dbraw/zinc/73/77/47/585737747.db2.gz XYWIMUXXPKLGDI-UHFFFAOYSA-N 0 3 249.310 2.171 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000779028875 585744241 /nfs/dbraw/zinc/74/42/41/585744241.db2.gz LJZXWTOEQHWFJT-UONOGXRCSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000779028875 585744242 /nfs/dbraw/zinc/74/42/42/585744242.db2.gz LJZXWTOEQHWFJT-UONOGXRCSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000779028872 585744299 /nfs/dbraw/zinc/74/42/99/585744299.db2.gz LJZXWTOEQHWFJT-KGLIPLIRSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000779028872 585744300 /nfs/dbraw/zinc/74/43/00/585744300.db2.gz LJZXWTOEQHWFJT-KGLIPLIRSA-N 0 3 247.338 2.393 20 10 BECDHN CC[C@]1(O)CC[N@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000779219014 585747378 /nfs/dbraw/zinc/74/73/78/585747378.db2.gz KQFDLCXXEITWFC-HNNXBMFYSA-N 0 3 249.354 2.356 20 10 BECDHN CC[C@]1(O)CC[N@@H+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000779219014 585747379 /nfs/dbraw/zinc/74/73/79/585747379.db2.gz KQFDLCXXEITWFC-HNNXBMFYSA-N 0 3 249.354 2.356 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](C1CC1)N(C)C)c1ccccc1[O-] ZINC000783502938 585835920 /nfs/dbraw/zinc/83/59/20/585835920.db2.gz BWLUHIMXXXHFFW-RISCZKNCSA-N 0 3 248.370 2.383 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCOCC2(CC2)C1 ZINC000783599444 585837627 /nfs/dbraw/zinc/83/76/27/585837627.db2.gz MZTXNGDOUWWGPJ-UHFFFAOYSA-N 0 3 233.311 2.005 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCOCC2(CC2)C1 ZINC000783599444 585837628 /nfs/dbraw/zinc/83/76/28/585837628.db2.gz MZTXNGDOUWWGPJ-UHFFFAOYSA-N 0 3 233.311 2.005 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2(CO)CC2)c([O-])c1 ZINC000788608378 585927767 /nfs/dbraw/zinc/92/77/67/585927767.db2.gz GHGCTVIXCJKOMM-GFCCVEGCSA-N 0 3 249.354 2.432 20 10 BECDHN CC(C)C1CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000793188245 586013426 /nfs/dbraw/zinc/01/34/26/586013426.db2.gz GBOWUKPWCDZRFN-UHFFFAOYSA-N 0 3 249.310 2.209 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC(C2CCOCC2)C1 ZINC000800531532 586224419 /nfs/dbraw/zinc/22/44/19/586224419.db2.gz GPDDPJQNADSAFB-UHFFFAOYSA-N 0 3 247.338 2.251 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C2(C)C)cc1C ZINC000812779311 586583952 /nfs/dbraw/zinc/58/39/52/586583952.db2.gz LUZNQEQNZDFJRE-CQSZACIVSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)C2(C)C)cc1C ZINC000812779311 586583953 /nfs/dbraw/zinc/58/39/53/586583953.db2.gz LUZNQEQNZDFJRE-CQSZACIVSA-N 0 3 249.354 2.354 20 10 BECDHN C[C@H]([NH2+]CCN)c1cc(Cl)c(Cl)cc1[O-] ZINC000817936014 586844026 /nfs/dbraw/zinc/84/40/26/586844026.db2.gz LPTYWHDHVWFPEM-LURJTMIESA-N 0 3 249.141 2.308 20 10 BECDHN C[C@H](NCC[NH3+])c1cc(Cl)c(Cl)cc1[O-] ZINC000817936014 586844027 /nfs/dbraw/zinc/84/40/27/586844027.db2.gz LPTYWHDHVWFPEM-LURJTMIESA-N 0 3 249.141 2.308 20 10 BECDHN CC[C@@H](NCC[NH2+]C)c1cc(Cl)ccc1[O-] ZINC000817953291 586848480 /nfs/dbraw/zinc/84/84/80/586848480.db2.gz ZFPKBVPPXQHBQE-LLVKDONJSA-N 0 3 242.750 2.306 20 10 BECDHN CC[C@@H]([NH2+]CCNC)c1cc(Cl)ccc1[O-] ZINC000817953291 586848482 /nfs/dbraw/zinc/84/84/82/586848482.db2.gz ZFPKBVPPXQHBQE-LLVKDONJSA-N 0 3 242.750 2.306 20 10 BECDHN CC[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(C)cc1[O-] ZINC000817952849 586849402 /nfs/dbraw/zinc/84/94/02/586849402.db2.gz VHEKDXRTSCUKBJ-TZMCWYRMSA-N 0 3 248.370 2.493 20 10 BECDHN C[C@@H](NC1C[NH2+]C1)c1ccc2ccccc2c1[O-] ZINC000817956391 586850314 /nfs/dbraw/zinc/85/03/14/586850314.db2.gz YBCSZRRDYIBJAA-SNVBAGLBSA-N 0 3 242.322 2.168 20 10 BECDHN CC(C)[C@@H](N)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817958441 586850793 /nfs/dbraw/zinc/85/07/93/586850793.db2.gz JTJTYJJDPHKKOB-CABZTGNLSA-N 0 3 240.322 2.165 20 10 BECDHN CC[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(C)cc1[O-] ZINC000817959731 586851129 /nfs/dbraw/zinc/85/11/29/586851129.db2.gz HRHADEZKKOVLGS-ZIAGYGMSSA-N 0 3 248.370 2.479 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H](CN)C2CC2)c([O-])c1 ZINC000817960656 586851195 /nfs/dbraw/zinc/85/11/95/586851195.db2.gz OZEVPCRAAHGJID-GWCFXTLKSA-N 0 3 234.343 2.089 20 10 BECDHN CC[C@H]([NH2+][C@@H](CN)C1CC1)c1ccccc1[O-] ZINC000817961463 586851308 /nfs/dbraw/zinc/85/13/08/586851308.db2.gz ZFJYYOWKHXFKMP-STQMWFEESA-N 0 3 234.343 2.170 20 10 BECDHN CC[C@H]([NH2+]CC(C)(C)N)c1ccccc1[O-] ZINC000817960907 586851826 /nfs/dbraw/zinc/85/18/26/586851826.db2.gz TZXIDJNZGGUQTB-NSHDSACASA-N 0 3 222.332 2.170 20 10 BECDHN CCC[NH2+]CCN[C@H](C)c1ccc(F)cc1[O-] ZINC000817962777 586852542 /nfs/dbraw/zinc/85/25/42/586852542.db2.gz PGFWDVJPVIAYBX-SNVBAGLBSA-N 0 3 240.322 2.182 20 10 BECDHN CCCNCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817962777 586852544 /nfs/dbraw/zinc/85/25/44/586852544.db2.gz PGFWDVJPVIAYBX-SNVBAGLBSA-N 0 3 240.322 2.182 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](CN)C2CC2)c([O-])c1C ZINC000817961307 586853257 /nfs/dbraw/zinc/85/32/57/586853257.db2.gz WWXHVOJFGMUKBC-RISCZKNCSA-N 0 3 248.370 2.397 20 10 BECDHN C[C@H](CN)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817966617 586854542 /nfs/dbraw/zinc/85/45/42/586854542.db2.gz RPXGPSQDJMQBPL-MRTMQBJTSA-N 0 3 238.306 2.016 20 10 BECDHN C[C@H](N)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817971159 586857383 /nfs/dbraw/zinc/85/73/83/586857383.db2.gz BKEDPUIXLDYCBL-KHQFGBGNSA-N 0 3 238.306 2.016 20 10 BECDHN CCN[C@H](C)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817972776 586859346 /nfs/dbraw/zinc/85/93/46/586859346.db2.gz OMFIOVWGQCJVSQ-ZJUUUORDSA-N 0 3 240.322 2.180 20 10 BECDHN CC[NH2+][C@H](C)CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000817972776 586859348 /nfs/dbraw/zinc/85/93/48/586859348.db2.gz OMFIOVWGQCJVSQ-ZJUUUORDSA-N 0 3 240.322 2.180 20 10 BECDHN C[C@@H]([NH2+]C[C@H](C)N)c1cc(Cl)ccc1[O-] ZINC000817973781 586860669 /nfs/dbraw/zinc/86/06/69/586860669.db2.gz WKBDIIUTHBQAAD-JGVFFNPUSA-N 0 3 228.723 2.043 20 10 BECDHN C[C@@H](NC[C@H](C)[NH3+])c1cc(Cl)ccc1[O-] ZINC000817973781 586860671 /nfs/dbraw/zinc/86/06/71/586860671.db2.gz WKBDIIUTHBQAAD-JGVFFNPUSA-N 0 3 228.723 2.043 20 10 BECDHN C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817978171 586860987 /nfs/dbraw/zinc/86/09/87/586860987.db2.gz XULRISGYWWCCMC-CIUDSAMLSA-N 0 3 242.750 2.432 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC12CC2 ZINC000818231072 586880646 /nfs/dbraw/zinc/88/06/46/586880646.db2.gz UPXRYJAULBPYBJ-GFCCVEGCSA-N 0 3 219.284 2.043 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1(CF)CCOCC1 ZINC000824690341 587282927 /nfs/dbraw/zinc/28/29/27/587282927.db2.gz ARJBJDRJUWGIDM-UHFFFAOYSA-N 0 3 239.290 2.001 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1 ZINC000827151422 587371392 /nfs/dbraw/zinc/37/13/92/587371392.db2.gz ASYOESXAECOFHV-RYUDHWBXSA-N 0 3 249.354 2.149 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)CC2=CCCOC2)c1 ZINC000827184471 587372263 /nfs/dbraw/zinc/37/22/63/587372263.db2.gz BBOWGOTVUVJWFA-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)CC2=CCCOC2)c1 ZINC000827184471 587372264 /nfs/dbraw/zinc/37/22/64/587372264.db2.gz BBOWGOTVUVJWFA-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000827285248 587375108 /nfs/dbraw/zinc/37/51/08/587375108.db2.gz YZAQCAOSWVFUNR-UKRRQHHQSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3COC[C@@]3(C)C2)c1 ZINC000827285248 587375109 /nfs/dbraw/zinc/37/51/09/587375109.db2.gz YZAQCAOSWVFUNR-UKRRQHHQSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H](CO)CC2CC2)c1[O-] ZINC000827359495 587378447 /nfs/dbraw/zinc/37/84/47/587378447.db2.gz OOCFRHZARAHQIH-ZDUSSCGKSA-N 0 3 249.354 2.199 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C2([C@@H](C)O)CC2)cc1C ZINC000827585615 587390702 /nfs/dbraw/zinc/39/07/02/587390702.db2.gz MYNNWYHPPRXYHV-LLVKDONJSA-N 0 3 235.327 2.012 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC000827700663 587397579 /nfs/dbraw/zinc/39/75/79/587397579.db2.gz WOAMURYYSCYKAY-DOMZBBRYSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1 ZINC000827700663 587397580 /nfs/dbraw/zinc/39/75/80/587397580.db2.gz WOAMURYYSCYKAY-DOMZBBRYSA-N 0 3 249.354 2.151 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)c1ccccc1[O-] ZINC000834905443 587770154 /nfs/dbraw/zinc/77/01/54/587770154.db2.gz HMIYMEKMLRXLPU-NTZNESFSSA-N 0 3 235.327 2.204 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000834915602 587770867 /nfs/dbraw/zinc/77/08/67/587770867.db2.gz SDDUINAVLPVMBO-MPKXVKKWSA-N 0 3 235.327 2.265 20 10 BECDHN COCCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000835025825 587779177 /nfs/dbraw/zinc/77/91/77/587779177.db2.gz NTUYRNGIHJDPQO-WAYWQWQTSA-N 0 3 248.370 2.344 20 10 BECDHN CN(C)c1ccc(/C=C/CN[C@H]2CCOC2)cc1 ZINC000835042719 587779429 /nfs/dbraw/zinc/77/94/29/587779429.db2.gz XHUVAKBTMAMFTE-XGACYXMMSA-N 0 3 246.354 2.144 20 10 BECDHN Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CCOC1 ZINC000840913050 587929717 /nfs/dbraw/zinc/92/97/17/587929717.db2.gz DIKMNSOFZZDGFR-OAHLLOKOSA-N 0 3 248.370 2.282 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c1[O-] ZINC000840977807 587932871 /nfs/dbraw/zinc/93/28/71/587932871.db2.gz KBBHAFVJGTXXJZ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c1[O-] ZINC000840977807 587932873 /nfs/dbraw/zinc/93/28/73/587932873.db2.gz KBBHAFVJGTXXJZ-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN CC(C)[C@H](N)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841029946 587936419 /nfs/dbraw/zinc/93/64/19/587936419.db2.gz PLOXBVLDDLVWNL-LLVKDONJSA-N 0 3 242.750 2.119 20 10 BECDHN CC(C)[C@H]([NH3+])CNCc1cc(Cl)ccc1[O-] ZINC000841029946 587936420 /nfs/dbraw/zinc/93/64/20/587936420.db2.gz PLOXBVLDDLVWNL-LLVKDONJSA-N 0 3 242.750 2.119 20 10 BECDHN CCCC[C@@H](CN)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841031091 587936789 /nfs/dbraw/zinc/93/67/89/587936789.db2.gz UDTKSPYGNSLJQR-LBPRGKRZSA-N 0 3 240.322 2.138 20 10 BECDHN NC[C@@H]([NH2+]Cc1ccccc1[O-])C1CCCCC1 ZINC000841039289 587938522 /nfs/dbraw/zinc/93/85/22/587938522.db2.gz IWPIPEDTPLFWAB-CQSZACIVSA-N 0 3 248.370 2.389 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](CN)C(C)(C)C)c1 ZINC000841087413 587945461 /nfs/dbraw/zinc/94/54/61/587945461.db2.gz NOGQOYHVNPWUED-ZDUSSCGKSA-N 0 3 236.359 2.164 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H](CN)C2CCCC2)c1 ZINC000841086326 587945612 /nfs/dbraw/zinc/94/56/12/587945612.db2.gz IKHMGIKLURMESZ-CQSZACIVSA-N 0 3 248.370 2.308 20 10 BECDHN Cc1cccc(C[NH2+][C@H](CN)C(C)(C)C)c1[O-] ZINC000841086709 587945894 /nfs/dbraw/zinc/94/58/94/587945894.db2.gz DUCQUHWERHCQAX-GFCCVEGCSA-N 0 3 236.359 2.164 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c([O-])c1 ZINC000841760701 587974342 /nfs/dbraw/zinc/97/43/42/587974342.db2.gz YNRDRXPOAFPBGO-COPLHBTASA-N 0 3 235.327 2.265 20 10 BECDHN COc1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1C ZINC000841890517 587981896 /nfs/dbraw/zinc/98/18/96/587981896.db2.gz BZTPOQGICJCCSV-XBXGTLAGSA-N 0 3 235.327 2.007 20 10 BECDHN [O-]c1ccccc1C[NH+]1CCC(C2(O)CC2)CC1 ZINC000846007886 588253347 /nfs/dbraw/zinc/25/33/47/588253347.db2.gz JXVRSLJSWFOXEU-UHFFFAOYSA-N 0 3 247.338 2.129 20 10 BECDHN COc1cccc([C@H](C)[NH2+]CCCF)c1[O-] ZINC000846156849 588258731 /nfs/dbraw/zinc/25/87/31/588258731.db2.gz PEXSIGJTOCCHCR-VIFPVBQESA-N 0 3 227.279 2.411 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1[O-] ZINC000848876720 588416045 /nfs/dbraw/zinc/41/60/45/588416045.db2.gz KMESCJGJKNPLMD-LBPRGKRZSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@H](CO)C2)c1[O-] ZINC000848876720 588416047 /nfs/dbraw/zinc/41/60/47/588416047.db2.gz KMESCJGJKNPLMD-LBPRGKRZSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[N@H+](CCO)CC2CC2)c1[O-] ZINC000848883425 588416967 /nfs/dbraw/zinc/41/69/67/588416967.db2.gz NOTDSWIVSONNIR-UHFFFAOYSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[N@@H+](CCO)CC2CC2)c1[O-] ZINC000848883425 588416968 /nfs/dbraw/zinc/41/69/68/588416968.db2.gz NOTDSWIVSONNIR-UHFFFAOYSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000848899283 588417542 /nfs/dbraw/zinc/41/75/42/588417542.db2.gz MKTGOMIPAGZWHI-AWEZNQCLSA-N 0 3 249.354 2.205 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](CC)C2)c1[O-] ZINC000848891464 588417657 /nfs/dbraw/zinc/41/76/57/588417657.db2.gz YPFYFBSFSRJPNR-GXTWGEPZSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@@H](O)[C@@H](CC)C2)c1[O-] ZINC000848891464 588417658 /nfs/dbraw/zinc/41/76/58/588417658.db2.gz YPFYFBSFSRJPNR-GXTWGEPZSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@](O)(CC)C2)c1[O-] ZINC000848904599 588418444 /nfs/dbraw/zinc/41/84/44/588418444.db2.gz YCFWYXPDXCVYCR-OAHLLOKOSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@](O)(CC)C2)c1[O-] ZINC000848904599 588418446 /nfs/dbraw/zinc/41/84/46/588418446.db2.gz YCFWYXPDXCVYCR-OAHLLOKOSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@@H]2CCO)c1[O-] ZINC000848903856 588418518 /nfs/dbraw/zinc/41/85/18/588418518.db2.gz FQYYFEXBRPTRGY-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@@H]2CCO)c1[O-] ZINC000848903856 588418519 /nfs/dbraw/zinc/41/85/19/588418519.db2.gz FQYYFEXBRPTRGY-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1[O-] ZINC000848904394 588418587 /nfs/dbraw/zinc/41/85/87/588418587.db2.gz SFRKEPNZZGNQCI-RISCZKNCSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c1[O-] ZINC000848904394 588418589 /nfs/dbraw/zinc/41/85/89/588418589.db2.gz SFRKEPNZZGNQCI-RISCZKNCSA-N 0 3 249.354 2.157 20 10 BECDHN C/C=C\C[C@H](CO)[NH2+]Cc1cccc(CC)c1[O-] ZINC000848902495 588418602 /nfs/dbraw/zinc/41/86/02/588418602.db2.gz DZESMLZSZRILDN-PKXJPQMGSA-N 0 3 249.354 2.371 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@H](O)C2(C)C)c1[O-] ZINC000848913271 588420269 /nfs/dbraw/zinc/42/02/69/588420269.db2.gz SPMAKDBMHGHKDI-ZDUSSCGKSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@H](O)C2(C)C)c1[O-] ZINC000848913271 588420271 /nfs/dbraw/zinc/42/02/71/588420271.db2.gz SPMAKDBMHGHKDI-ZDUSSCGKSA-N 0 3 249.354 2.300 20 10 BECDHN C[C@H]1CCCN(C(=[NH2+])NCc2ccccc2[O-])C1 ZINC000848985026 588425350 /nfs/dbraw/zinc/42/53/50/588425350.db2.gz XOMROVBAZXMOBQ-NSHDSACASA-N 0 3 247.342 2.148 20 10 BECDHN CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000850528654 588557255 /nfs/dbraw/zinc/55/72/55/588557255.db2.gz JLKRMERUIRRIQD-NWDGAFQWSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc(O)c(CN[C@H](C)c2ccnn2C)c1 ZINC000865838678 589464509 /nfs/dbraw/zinc/46/45/09/589464509.db2.gz MKNGECWSVINELC-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(CO)CC2)c1 ZINC000122307649 589577732 /nfs/dbraw/zinc/57/77/32/589577732.db2.gz LGQWTSMEDRHMPG-NSHDSACASA-N 0 3 235.327 2.124 20 10 BECDHN CCCOc1ccc(CNC/C=C\CO)cc1C ZINC000873134586 589986498 /nfs/dbraw/zinc/98/64/98/589986498.db2.gz BNGQMLVOPNQIJD-PLNGDYQASA-N 0 3 249.354 2.422 20 10 BECDHN Cc1cccc(C[NH2+]CCN(C)C(C)C)c1[O-] ZINC000124757918 590081004 /nfs/dbraw/zinc/08/10/04/590081004.db2.gz OISWLHJUXPWZLI-UHFFFAOYSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCN(C3CC3)C2)c1[O-] ZINC000124805879 590090274 /nfs/dbraw/zinc/09/02/74/590090274.db2.gz PZONRKIWIFJMLV-CYBMUJFWSA-N 0 3 246.354 2.027 20 10 BECDHN Cc1cccc(O)c1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000876512322 590206082 /nfs/dbraw/zinc/20/60/82/590206082.db2.gz LNESBUSUQIECAE-TXEJJXNPSA-N 0 3 235.327 2.310 20 10 BECDHN CO[C@H]1CCC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876609383 590221726 /nfs/dbraw/zinc/22/17/26/590221726.db2.gz LYSXNLNVXBDIAQ-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@H]1CCC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876609383 590221728 /nfs/dbraw/zinc/22/17/28/590221728.db2.gz LYSXNLNVXBDIAQ-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876610473 590221746 /nfs/dbraw/zinc/22/17/46/590221746.db2.gz VEHHZAFETSZPMQ-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876610473 590221747 /nfs/dbraw/zinc/22/17/47/590221747.db2.gz VEHHZAFETSZPMQ-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCO[C@H](C)C2)c([O-])c1 ZINC000876684425 590230340 /nfs/dbraw/zinc/23/03/40/590230340.db2.gz MXUKSPWPRKENLT-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CCCO[C@H](C)C2)c([O-])c1 ZINC000876684425 590230342 /nfs/dbraw/zinc/23/03/42/590230342.db2.gz MXUKSPWPRKENLT-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000876693195 590231156 /nfs/dbraw/zinc/23/11/56/590231156.db2.gz AZEKTYJRQCXVFZ-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CCO)C1 ZINC000876693195 590231157 /nfs/dbraw/zinc/23/11/57/590231157.db2.gz AZEKTYJRQCXVFZ-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(C[NH+]2CCC(C)(O)CC2)c([O-])c1 ZINC000876746387 590236970 /nfs/dbraw/zinc/23/69/70/590236970.db2.gz LJLQAUSORFPTDU-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000876802919 590243619 /nfs/dbraw/zinc/24/36/19/590243619.db2.gz BMSYNVIUQWYUAD-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000876802919 590243621 /nfs/dbraw/zinc/24/36/21/590243621.db2.gz BMSYNVIUQWYUAD-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000876802917 590243952 /nfs/dbraw/zinc/24/39/52/590243952.db2.gz BMSYNVIUQWYUAD-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000876802917 590243954 /nfs/dbraw/zinc/24/39/54/590243954.db2.gz BMSYNVIUQWYUAD-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c([O-])c1 ZINC000876804919 590244492 /nfs/dbraw/zinc/24/44/92/590244492.db2.gz WCOSTJJWKMPLJR-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c([O-])c1 ZINC000876804919 590244493 /nfs/dbraw/zinc/24/44/93/590244493.db2.gz WCOSTJJWKMPLJR-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000876804918 590244641 /nfs/dbraw/zinc/24/46/41/590244641.db2.gz WCOSTJJWKMPLJR-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000876804918 590244642 /nfs/dbraw/zinc/24/46/42/590244642.db2.gz WCOSTJJWKMPLJR-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)Cn1cccn1 ZINC000876926952 590257734 /nfs/dbraw/zinc/25/77/34/590257734.db2.gz LXGLMKGCRUQXFX-LBPRGKRZSA-N 0 3 245.326 2.075 20 10 BECDHN COC[C@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000876987532 590265131 /nfs/dbraw/zinc/26/51/31/590265131.db2.gz ZVTCPWZDBSHDKP-SNVBAGLBSA-N 0 3 223.316 2.073 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H](O)CC(C)C)c([O-])c1 ZINC000876990283 590266484 /nfs/dbraw/zinc/26/64/84/590266484.db2.gz WMRQMJQLVYTJCR-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN CO[C@@H](C)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876997102 590267082 /nfs/dbraw/zinc/26/70/82/590267082.db2.gz NFYDGKZBXKFTJA-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc(C[NH2+]CC2CCOCC2)c([O-])c1 ZINC000876998531 590267514 /nfs/dbraw/zinc/26/75/14/590267514.db2.gz JCEHBIBZYXZRNH-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCCN(C)C2)c([O-])c1 ZINC000877026512 590270853 /nfs/dbraw/zinc/27/08/53/590270853.db2.gz BNZFDDBWIDDWKV-ZDUSSCGKSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN(C)C1 ZINC000877027757 590271334 /nfs/dbraw/zinc/27/13/34/590271334.db2.gz RSIHPUUSGCSDED-ZDUSSCGKSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000877058401 590276028 /nfs/dbraw/zinc/27/60/28/590276028.db2.gz IDPCPWBKKIRAAA-CMPLNLGQSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000877059337 590276328 /nfs/dbraw/zinc/27/63/28/590276328.db2.gz VGBNURHOUOCTHW-QWHCGFSZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](CCO)C(C)C)c([O-])c1 ZINC000877064137 590276856 /nfs/dbraw/zinc/27/68/56/590276856.db2.gz NOXNLDTVGOLSFX-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000877070785 590277544 /nfs/dbraw/zinc/27/75/44/590277544.db2.gz VYCZCQIMVSKMCC-STQMWFEESA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc(O)c1CN1CCO[C@@H](C2CC2)C1 ZINC000877423884 590325206 /nfs/dbraw/zinc/32/52/06/590325206.db2.gz NDEWXRDSRCAQQM-OAHLLOKOSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCN1CC=CCC1 ZINC000877491992 590339787 /nfs/dbraw/zinc/33/97/87/590339787.db2.gz ZFISHAQLYWDMNW-UHFFFAOYSA-N 0 3 246.354 2.052 20 10 BECDHN Cc1ccc(C[NH2+]CC2=CCCOC2)c([O-])c1 ZINC000877531746 590349304 /nfs/dbraw/zinc/34/93/04/590349304.db2.gz BUCXGRDAASOVCQ-UHFFFAOYSA-N 0 3 233.311 2.137 20 10 BECDHN COCC(C)(C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877547066 590352715 /nfs/dbraw/zinc/35/27/15/590352715.db2.gz QEMCVMXUHQSXNT-UHFFFAOYSA-N 0 3 237.343 2.463 20 10 BECDHN CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877553800 590356151 /nfs/dbraw/zinc/35/61/51/590356151.db2.gz YPRSQGUPYLJELG-CQSZACIVSA-N 0 3 248.370 2.227 20 10 BECDHN CC[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877553800 590356153 /nfs/dbraw/zinc/35/61/53/590356153.db2.gz YPRSQGUPYLJELG-CQSZACIVSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1ccc(C[NH2+]CC[C@@H](C)CCO)c([O-])c1 ZINC000877556419 590357924 /nfs/dbraw/zinc/35/79/24/590357924.db2.gz GBYHXDRYWBTGHL-LLVKDONJSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCOC2(C)C)c([O-])c1 ZINC000877562152 590359699 /nfs/dbraw/zinc/35/96/99/590359699.db2.gz VTPLNYKTBBYDNH-CYBMUJFWSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CC(C)(C)O ZINC000877563692 590360778 /nfs/dbraw/zinc/36/07/78/590360778.db2.gz RAOGCZYJNRIRMA-NSHDSACASA-N 0 3 237.343 2.340 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](C)CC(C)(C)O)c([O-])c1 ZINC000877563216 590361007 /nfs/dbraw/zinc/36/10/07/590361007.db2.gz IIGIJSWIRQQBAD-NSHDSACASA-N 0 3 237.343 2.340 20 10 BECDHN COCC1(C)C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC000877582101 590365711 /nfs/dbraw/zinc/36/57/11/590365711.db2.gz IJFBGEZRJWSPEU-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[NH2+]CCC2(CO)CCC2)c([O-])c1 ZINC000877615236 590374434 /nfs/dbraw/zinc/37/44/34/590374434.db2.gz SBPSINHNAJCZNA-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN Cc1ccc(C[N@@H+](C[C@H](C)O)C2CC2)c([O-])c1 ZINC000877621327 590375575 /nfs/dbraw/zinc/37/55/75/590375575.db2.gz QOQZUWUBSMREDV-NSHDSACASA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@H+](C[C@H](C)O)C2CC2)c([O-])c1 ZINC000877621327 590375577 /nfs/dbraw/zinc/37/55/77/590375577.db2.gz QOQZUWUBSMREDV-NSHDSACASA-N 0 3 235.327 2.046 20 10 BECDHN COCC1(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877618103 590376102 /nfs/dbraw/zinc/37/61/02/590376102.db2.gz HNUXSBDPSFXREI-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN COCCC1C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC000877623770 590377023 /nfs/dbraw/zinc/37/70/23/590377023.db2.gz ZPOYFGXDBJKBJO-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN CCCN1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877636501 590380674 /nfs/dbraw/zinc/38/06/74/590380674.db2.gz YXOQOJGJSKUGSE-CQSZACIVSA-N 0 3 248.370 2.275 20 10 BECDHN CCO[C@@]1(C)C[C@H]1[NH2+]Cc1c(C)cccc1[O-] ZINC000877654239 590385533 /nfs/dbraw/zinc/38/55/33/590385533.db2.gz NBUMOSNWFHAOKM-KGLIPLIRSA-N 0 3 235.327 2.358 20 10 BECDHN CCC[C@H](CCO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877666465 590388493 /nfs/dbraw/zinc/38/84/93/590388493.db2.gz BVNQESKQQYWSLO-GFCCVEGCSA-N 0 3 237.343 2.341 20 10 BECDHN C[C@H]1C[C@H]1C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877703073 590396037 /nfs/dbraw/zinc/39/60/37/590396037.db2.gz PZBDWVGPBQULBN-ONGXEEELSA-N 0 3 203.285 2.364 20 10 BECDHN C[C@H]1C[C@H]1C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877703073 590396040 /nfs/dbraw/zinc/39/60/40/590396040.db2.gz PZBDWVGPBQULBN-ONGXEEELSA-N 0 3 203.285 2.364 20 10 BECDHN C[C@@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000877755856 590417749 /nfs/dbraw/zinc/41/77/49/590417749.db2.gz OZTIGFDMUFHJSJ-LOWVWBTDSA-N 0 3 235.327 2.468 20 10 BECDHN Cc1ncc(C[NH2+][C@@H](C)c2ccccc2[O-])cn1 ZINC000877757349 590417852 /nfs/dbraw/zinc/41/78/52/590417852.db2.gz RYHQWIUOQJSLQE-JTQLQIEISA-N 0 3 243.310 2.341 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1 ZINC000877835134 590431278 /nfs/dbraw/zinc/43/12/78/590431278.db2.gz ICKLVMCORIKREX-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c1 ZINC000877835134 590431279 /nfs/dbraw/zinc/43/12/79/590431279.db2.gz ICKLVMCORIKREX-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@](C)(O)C2)cc1C ZINC000129466829 591303352 /nfs/dbraw/zinc/30/33/52/591303352.db2.gz RHQYVWOMNYJJGF-HNNXBMFYSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@](C)(O)C2)cc1C ZINC000129466829 591303355 /nfs/dbraw/zinc/30/33/55/591303355.db2.gz RHQYVWOMNYJJGF-HNNXBMFYSA-N 0 3 249.354 2.356 20 10 BECDHN C[C@H]1CC[C@H]([NH2+]Cc2cc3c(cc2[O-])OCO3)C1 ZINC000131098251 591552758 /nfs/dbraw/zinc/55/27/58/591552758.db2.gz OYJKGUDQCPDEGJ-ONGXEEELSA-N 0 3 249.310 2.399 20 10 BECDHN COc1cccc(C[NH2+]C2CC=CC2)c1[O-] ZINC000131200462 591566988 /nfs/dbraw/zinc/56/69/88/591566988.db2.gz RYPMGFHPOREVED-UHFFFAOYSA-N 0 3 219.284 2.209 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC000132632816 591725936 /nfs/dbraw/zinc/72/59/36/591725936.db2.gz PGTLNVWZWBEZAW-UHFFFAOYSA-N 0 3 221.300 2.003 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C1CCOCC1 ZINC000132632816 591725939 /nfs/dbraw/zinc/72/59/39/591725939.db2.gz PGTLNVWZWBEZAW-UHFFFAOYSA-N 0 3 221.300 2.003 20 10 BECDHN C[C@@H]1C[C@H](C)C[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000134957949 591962968 /nfs/dbraw/zinc/96/29/68/591962968.db2.gz XJQQACHLYWFCSF-VHSXEESVSA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H]1C[C@H](C)C[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000134957949 591962970 /nfs/dbraw/zinc/96/29/70/591962970.db2.gz XJQQACHLYWFCSF-VHSXEESVSA-N 0 3 249.310 2.351 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000136823938 592151152 /nfs/dbraw/zinc/15/11/52/592151152.db2.gz FHYXHEGYJKYZLH-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1 ZINC000136823938 592151155 /nfs/dbraw/zinc/15/11/55/592151155.db2.gz FHYXHEGYJKYZLH-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1C[C@]12CCOC2)c1ccccc1[O-] ZINC000886310282 592205281 /nfs/dbraw/zinc/20/52/81/592205281.db2.gz IKPMUSSJLXFZMN-XUJVJEKNSA-N 0 3 247.338 2.469 20 10 BECDHN CC(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000223660107 592537673 /nfs/dbraw/zinc/53/76/73/592537673.db2.gz OKWOUWRPLFZERB-NWDGAFQWSA-N 0 3 237.343 2.450 20 10 BECDHN COC1(CC[NH2+]Cc2ccccc2[O-])CCC1 ZINC000310205456 635391876 /nfs/dbraw/zinc/39/18/76/635391876.db2.gz BQJWXQGKNXCHCF-UHFFFAOYSA-N 0 3 235.327 2.441 20 10 BECDHN CO[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C12CCC2 ZINC000308343746 631297235 /nfs/dbraw/zinc/29/72/35/631297235.db2.gz LPIQREKRZBNMSK-KGLIPLIRSA-N 0 3 247.338 2.439 20 10 BECDHN Cc1ccc(C[NH2+][C@]2(C)CCO[C@H]2C)c([O-])c1 ZINC000877306956 635675679 /nfs/dbraw/zinc/67/56/79/635675679.db2.gz BNRKZRVBDXZGAB-SMDDNHRTSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CO)c1[O-] ZINC000309367914 632022296 /nfs/dbraw/zinc/02/22/96/632022296.db2.gz BMSMKTYYNNMPJZ-DTWKUNHWSA-N 0 3 243.734 2.385 20 10 BECDHN C[C@H]1CC2(CC([NH2+]Cc3ccccc3[O-])C2)CO1 ZINC000924903849 635760069 /nfs/dbraw/zinc/76/00/69/635760069.db2.gz WXMXRPWOWAUHON-ZOODHJKOSA-N 0 3 247.338 2.439 20 10 BECDHN COC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000309513359 632432901 /nfs/dbraw/zinc/43/29/01/632432901.db2.gz QKFGZDNODWWBSG-ONGXEEELSA-N 0 3 221.300 2.004 20 10 BECDHN CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000158220279 632462334 /nfs/dbraw/zinc/46/23/34/632462334.db2.gz CZYJPRIKNSJMRC-CHWSQXEVSA-N 0 3 235.327 2.439 20 10 BECDHN C[C@@H]1CC([NH2+]Cc2ccccc2[O-])C[C@@H](C)O1 ZINC000162138983 632520010 /nfs/dbraw/zinc/52/00/10/632520010.db2.gz JMINENGYSVFNSC-GHMZBOCLSA-N 0 3 235.327 2.438 20 10 BECDHN Cc1nn(C)cc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000168676253 633148257 /nfs/dbraw/zinc/14/82/57/633148257.db2.gz BVIZWRKHPIRJTJ-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN COC[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000309513356 633187534 /nfs/dbraw/zinc/18/75/34/633187534.db2.gz QKFGZDNODWWBSG-GXSJLCMTSA-N 0 3 221.300 2.004 20 10 BECDHN CCOc1ccc(C[NH2+]CCSC)c([O-])c1 ZINC000309648950 633982516 /nfs/dbraw/zinc/98/25/16/633982516.db2.gz NJEHTTSNOWROBO-UHFFFAOYSA-N 0 3 241.356 2.244 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](CF)C2)c([O-])c1 ZINC000895569080 636159660 /nfs/dbraw/zinc/15/96/60/636159660.db2.gz RZJBKJKNORZAQS-LLVKDONJSA-N 0 3 223.291 2.492 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](CF)C2)c([O-])c1 ZINC000895569080 636159672 /nfs/dbraw/zinc/15/96/72/636159672.db2.gz RZJBKJKNORZAQS-LLVKDONJSA-N 0 3 223.291 2.492 20 10 BECDHN C[C@@H]1CC[C@@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000162939875 635205129 /nfs/dbraw/zinc/20/51/29/635205129.db2.gz ULVKZBYNQVIVNK-PWSUYJOCSA-N 0 3 221.300 2.049 20 10 BECDHN COc1ccc(C[NH2+]CC2(C)CC2)c([O-])c1 ZINC000224167584 640602006 /nfs/dbraw/zinc/60/20/06/640602006.db2.gz YKXOUXVVLDVDGO-UHFFFAOYSA-N 0 3 221.300 2.291 20 10 BECDHN C[C@@H]([NH2+]CC1(CCO)CC1)c1ccccc1[O-] ZINC000157458045 640685774 /nfs/dbraw/zinc/68/57/74/640685774.db2.gz SJKXMQLEHJNTFX-LLVKDONJSA-N 0 3 235.327 2.205 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCc1ccccn1 ZINC000226582172 640776614 /nfs/dbraw/zinc/77/66/14/640776614.db2.gz CZUNGRWYSYVKSU-UHFFFAOYSA-N 0 3 246.285 2.259 20 10 BECDHN C[C@H]1OCC[C@@]1(C)[NH2+]Cc1ccccc1[O-] ZINC000230150857 641032489 /nfs/dbraw/zinc/03/24/89/641032489.db2.gz GGKMMYVESVGHSB-ZWNOBZJWSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@H]1OCC[C@]1(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000230392240 641049101 /nfs/dbraw/zinc/04/91/01/641049101.db2.gz HKJGKNWXENXBML-RNCFNFMXSA-N 0 3 239.290 2.188 20 10 BECDHN C[C@@H]([NH2+]CCc1ccn(C)n1)c1ccccc1[O-] ZINC000230899634 641116418 /nfs/dbraw/zinc/11/64/18/641116418.db2.gz JNZMJUGXXZIHSG-LLVKDONJSA-N 0 3 245.326 2.019 20 10 BECDHN CCOC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000044688683 643547605 /nfs/dbraw/zinc/54/76/05/643547605.db2.gz PDIYSYCEVSBZRQ-GHMZBOCLSA-N 0 3 223.316 2.468 20 10 BECDHN CC[C@H]([NH2+][C@H]1CCOC1)c1ccccc1[O-] ZINC000087784631 644503441 /nfs/dbraw/zinc/50/34/41/644503441.db2.gz VUXJNRZMXWZVNM-JQWIXIFHSA-N 0 3 221.300 2.222 20 10 BECDHN C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756448381 644628160 /nfs/dbraw/zinc/62/81/60/644628160.db2.gz BWEMGJSXVXUYCO-NQMVMOMDSA-N 0 3 239.290 2.050 20 10 BECDHN C[C@H]([NH2+][C@@H](CCO)C1CC1)c1ccccc1[O-] ZINC000783518250 644755175 /nfs/dbraw/zinc/75/51/75/644755175.db2.gz LINSZVVLXCXWMQ-GWCFXTLKSA-N 0 3 235.327 2.204 20 10 BECDHN C[C@@H]([NH2+][C@H](CO)CC1CC1)c1ccccc1[O-] ZINC000783520182 644755720 /nfs/dbraw/zinc/75/57/20/644755720.db2.gz YWDHYBNNWLKGBQ-PWSUYJOCSA-N 0 3 235.327 2.204 20 10 BECDHN C[C@@H]([NH2+][C@@H](CCO)C1CC1)c1ccccc1[O-] ZINC000783518254 644756084 /nfs/dbraw/zinc/75/60/84/644756084.db2.gz LINSZVVLXCXWMQ-MFKMUULPSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)[C@H](C)N)c1ccc(F)cc1[O-] ZINC000817979831 644992869 /nfs/dbraw/zinc/99/28/69/644992869.db2.gz PNOJIIRXJCWQIW-AUTRQRHGSA-N 0 3 240.322 2.308 20 10 BECDHN CC[C@H](N)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981152 644994183 /nfs/dbraw/zinc/99/41/83/644994183.db2.gz ZMOILFZPGXGTPP-CBAPKCEASA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@H]([NH3+])CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981152 644994188 /nfs/dbraw/zinc/99/41/88/644994188.db2.gz ZMOILFZPGXGTPP-CBAPKCEASA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@@H](N)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981154 644995283 /nfs/dbraw/zinc/99/52/83/644995283.db2.gz ZMOILFZPGXGTPP-VXNVDRBHSA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@@H]([NH3+])CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981154 644995289 /nfs/dbraw/zinc/99/52/89/644995289.db2.gz ZMOILFZPGXGTPP-VXNVDRBHSA-N 0 3 244.285 2.058 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000877628827 645803847 /nfs/dbraw/zinc/80/38/47/645803847.db2.gz NDECYORMSKBRAP-VXGBXAGGSA-N 0 3 249.354 2.149 20 10 BECDHN Cc1ccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c([O-])c1 ZINC000877628007 645804841 /nfs/dbraw/zinc/80/48/41/645804841.db2.gz CGLIPPXKCSKBRA-VXGBXAGGSA-N 0 3 249.354 2.149 20 10 BECDHN CCC[C@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000716815455 712576439 /nfs/dbraw/zinc/57/64/39/712576439.db2.gz RMXHNZFMNMYSNQ-GFCCVEGCSA-N 0 3 241.306 2.172 20 10 BECDHN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccccc1[O-] ZINC000716955670 712599875 /nfs/dbraw/zinc/59/98/75/712599875.db2.gz QVKDUJYLKNGQHN-PWSUYJOCSA-N 0 3 223.316 2.031 20 10 BECDHN COC(C)(C)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000720154603 712828098 /nfs/dbraw/zinc/82/80/98/712828098.db2.gz CQHZPYXWYCQKEI-VIFPVBQESA-N 0 3 241.306 2.434 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCCOC(F)F ZINC000398174025 711403837 /nfs/dbraw/zinc/40/38/37/711403837.db2.gz BEKKMOPEWZLJNL-UHFFFAOYSA-N 0 3 249.232 2.250 20 10 BECDHN CC(C)[C@](C)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000398581248 711411877 /nfs/dbraw/zinc/41/18/77/711411877.db2.gz OVTXTBBVVPGREU-ZDUSSCGKSA-N 0 3 241.306 2.028 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCF)CC2 ZINC000308911922 711619148 /nfs/dbraw/zinc/61/91/48/711619148.db2.gz XTIHDFXEQFEPSO-JTQLQIEISA-N 0 3 209.264 2.329 20 10 BECDHN CCC1(C[NH2+][C@H]2CCc3cccc([O-])c32)COC1 ZINC000393960616 711757700 /nfs/dbraw/zinc/75/77/00/711757700.db2.gz DOGDZEFEOSWJHL-LBPRGKRZSA-N 0 3 247.338 2.396 20 10 BECDHN CO[C@H]1C[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000708690932 712196969 /nfs/dbraw/zinc/19/69/69/712196969.db2.gz YDUHMMGKLADTIL-SDDRHHMPSA-N 0 3 235.327 2.468 20 10 BECDHN CO[C@H]1C[C@@H](C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000708690934 712197076 /nfs/dbraw/zinc/19/70/76/712197076.db2.gz YDUHMMGKLADTIL-UTUOFQBUSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccccc1[O-] ZINC000710185114 712247710 /nfs/dbraw/zinc/24/77/10/712247710.db2.gz OJPVBZUUCAWHRK-MNOVXSKESA-N 0 3 235.327 2.204 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1C=CCC1 ZINC000711657568 712314512 /nfs/dbraw/zinc/31/45/12/712314512.db2.gz XBSGABBOKFMZGO-NSHDSACASA-N 0 3 203.285 2.448 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C)c([O-])c1 ZINC000712588802 712435344 /nfs/dbraw/zinc/43/53/44/712435344.db2.gz YLFXSQYQXWUZEQ-RYUDHWBXSA-N 0 3 234.343 2.055 20 10 BECDHN CCN1CC[C@@H]1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000712561566 712446046 /nfs/dbraw/zinc/44/60/46/712446046.db2.gz CZBVVZGBDGADGH-NWDGAFQWSA-N 0 3 234.343 2.137 20 10 BECDHN COC[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000714445104 712489869 /nfs/dbraw/zinc/48/98/69/712489869.db2.gz ZUVQNUZFRTYXPW-UTUOFQBUSA-N 0 3 235.327 2.468 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC12CC2 ZINC000715258662 712514781 /nfs/dbraw/zinc/51/47/81/712514781.db2.gz YPWQJDJCUUCDRZ-LLVKDONJSA-N 0 3 207.248 2.173 20 10 BECDHN C[C@H]([NH2+]CCN)c1ccc2ccccc2c1[O-] ZINC000037712370 712745080 /nfs/dbraw/zinc/74/50/80/712745080.db2.gz YSIWCFLUYQXANJ-JTQLQIEISA-N 0 3 230.311 2.155 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1C)c1ccccc1[O-] ZINC000719647003 712820248 /nfs/dbraw/zinc/82/02/48/712820248.db2.gz MMVLGYCQMHYDBL-DMDPSCGWSA-N 0 3 234.343 2.135 20 10 BECDHN C[C@@H]1[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CCN1C ZINC000719648749 712820882 /nfs/dbraw/zinc/82/08/82/712820882.db2.gz RRJHJAQFKUCSQQ-RTXFEEFZSA-N 0 3 246.354 2.062 20 10 BECDHN Oc1ccc(O)c(CN2CC3(CCC3)C2)c1 ZINC001141156214 960890106 /nfs/dbraw/zinc/89/01/06/960890106.db2.gz HFTDIWVMIILUQQ-UHFFFAOYSA-N 0 3 219.284 2.084 20 10 BECDHN CC[C@@H](C)[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204273549 966950040 /nfs/dbraw/zinc/95/00/40/966950040.db2.gz REKDJVLHSPGNGN-SECBINFHSA-N 0 3 209.289 2.328 20 10 BECDHN CC[C@@H](C)[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204273549 966950048 /nfs/dbraw/zinc/95/00/48/966950048.db2.gz REKDJVLHSPGNGN-SECBINFHSA-N 0 3 209.289 2.328 20 10 BECDHN CC(C)C[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204272459 966952274 /nfs/dbraw/zinc/95/22/74/966952274.db2.gz OGQAJLVNPKTDIU-UHFFFAOYSA-N 0 3 209.289 2.186 20 10 BECDHN CC(C)C[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204272459 966952286 /nfs/dbraw/zinc/95/22/86/966952286.db2.gz OGQAJLVNPKTDIU-UHFFFAOYSA-N 0 3 209.289 2.186 20 10 BECDHN C[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204272545 966952976 /nfs/dbraw/zinc/95/29/76/966952976.db2.gz PZLZPLNKAJPHPT-SECBINFHSA-N 0 3 207.273 2.082 20 10 BECDHN C[C@@H]1CCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204272545 966952985 /nfs/dbraw/zinc/95/29/85/966952985.db2.gz PZLZPLNKAJPHPT-SECBINFHSA-N 0 3 207.273 2.082 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCC(F)F ZINC000379890766 1166809639 /nfs/dbraw/zinc/80/96/39/1166809639.db2.gz APQLFVDJQAIAES-UHFFFAOYSA-N 0 3 219.206 2.276 20 10 BECDHN COCC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000691839781 1169290926 /nfs/dbraw/zinc/29/09/26/1169290926.db2.gz UMEWUICHWXWVRR-LBPRGKRZSA-N 0 3 247.338 2.396 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1COC(C)(C)C1 ZINC000396497436 956883981 /nfs/dbraw/zinc/88/39/81/956883981.db2.gz HJTZRQBSXQVGBR-LBPRGKRZSA-N 0 3 235.327 2.392 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1COC(C)(C)C1 ZINC000396497436 956883983 /nfs/dbraw/zinc/88/39/83/956883983.db2.gz HJTZRQBSXQVGBR-LBPRGKRZSA-N 0 3 235.327 2.392 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H](O)C1CCC1)CC2 ZINC000315763282 972249311 /nfs/dbraw/zinc/24/93/11/972249311.db2.gz CTPFCODAHALZLI-OCCSQVGLSA-N 0 3 247.338 2.130 20 10 BECDHN CC[C@@]12C[C@@H](CO1)N(Cc1cc(C)ccc1O)C2 ZINC001140622589 960464388 /nfs/dbraw/zinc/46/43/88/960464388.db2.gz BGHOMMDBDPFMAE-ZFWWWQNUSA-N 0 3 247.338 2.454 20 10 BECDHN CC[C@H]([NH2+][C@H]1COC[C@H]1C)c1ccccc1[O-] ZINC000699791439 966093992 /nfs/dbraw/zinc/09/39/92/966093992.db2.gz UBPVMSQMHOAREI-WXHSDQCUSA-N 0 3 235.327 2.468 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2C)c([O-])c1 ZINC000699792839 966097109 /nfs/dbraw/zinc/09/71/09/966097109.db2.gz WQFWIVPRKBGYTL-GMXVVIOVSA-N 0 3 235.327 2.386 20 10 BECDHN CCc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001236783716 966533260 /nfs/dbraw/zinc/53/32/60/966533260.db2.gz OKYANYSYBJLLPM-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001236783716 966533265 /nfs/dbraw/zinc/53/32/65/966533265.db2.gz OKYANYSYBJLLPM-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000691301114 966788767 /nfs/dbraw/zinc/78/87/67/966788767.db2.gz CQGGGMKLBNCMJU-OCCSQVGLSA-N 0 3 233.311 2.049 20 10 BECDHN Oc1ccc(CN2C[C@@H]3C[C@H]2C[C@H]3F)cc1O ZINC001203879399 966805789 /nfs/dbraw/zinc/80/57/89/966805789.db2.gz PJESWLKCHLIBMD-GARJFASQSA-N 0 3 237.274 2.030 20 10 BECDHN Oc1ccc(CN2CCC3(CC3)C2)cc1O ZINC001203875796 966807085 /nfs/dbraw/zinc/80/70/85/966807085.db2.gz VKRCBQHKYSGBNG-UHFFFAOYSA-N 0 3 219.284 2.084 20 10 BECDHN CC1CC([N@H+](C)Cc2ccc(O)cc2[O-])C1 ZINC001204276248 966952616 /nfs/dbraw/zinc/95/26/16/966952616.db2.gz IFHBSIUQYCTIPE-UHFFFAOYSA-N 0 3 221.300 2.328 20 10 BECDHN CC1CC([N@@H+](C)Cc2ccc(O)cc2[O-])C1 ZINC001204276248 966952619 /nfs/dbraw/zinc/95/26/19/966952619.db2.gz IFHBSIUQYCTIPE-UHFFFAOYSA-N 0 3 221.300 2.328 20 10 BECDHN CCN(Cc1cc(O)c(O)c(OC)c1)C1CC1 ZINC001204341742 966977641 /nfs/dbraw/zinc/97/76/41/966977641.db2.gz FVXNOPPJYSLVHS-UHFFFAOYSA-N 0 3 237.299 2.091 20 10 BECDHN CC[C@@]12C[C@@H](CO1)N(Cc1ccccc1O)C2 ZINC001203558737 967024940 /nfs/dbraw/zinc/02/49/40/967024940.db2.gz ZGESHSLXJCJUSH-JSGCOSHPSA-N 0 3 233.311 2.146 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000390801477 973942572 /nfs/dbraw/zinc/94/25/72/973942572.db2.gz ZLEGRYXTWQJXRW-MNOVXSKESA-N 0 3 235.352 2.475 20 10 BECDHN COc1cccc([O-])c1C[NH2+]C/C=C\C1CC1 ZINC001330432245 974262808 /nfs/dbraw/zinc/26/28/08/974262808.db2.gz ONCXOWBUEYKGGH-ARJAWSKDSA-N 0 3 233.311 2.457 20 10 BECDHN CC1(C)C[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001172294128 974558971 /nfs/dbraw/zinc/55/89/71/974558971.db2.gz VGAGBKKOCLTVRT-LBPRGKRZSA-N 0 3 247.338 2.318 20 10 BECDHN CC1(C)C[C@H]([N@H+]2CCc3cccc([O-])c3C2)CO1 ZINC001172294128 974558975 /nfs/dbraw/zinc/55/89/75/974558975.db2.gz VGAGBKKOCLTVRT-LBPRGKRZSA-N 0 3 247.338 2.318 20 10 BECDHN Cc1cc(C)c(CN2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001231841856 977763881 /nfs/dbraw/zinc/76/38/81/977763881.db2.gz DWDMPRJSKMOBGH-BETUJISGSA-N 0 3 247.338 2.372 20 10 BECDHN Oc1cc(CN2C[C@H]3CCC[C@@H]3C2)cc(O)c1O ZINC001233011083 978412842 /nfs/dbraw/zinc/41/28/42/978412842.db2.gz YSAYDBZSKOFYPP-GHMZBOCLSA-N 0 3 249.310 2.035 20 10 BECDHN Oc1cc(CN2CCCCCC2)cc(O)c1O ZINC001233011112 978414057 /nfs/dbraw/zinc/41/40/57/978414057.db2.gz ZEAPNMGFNMJKIK-UHFFFAOYSA-N 0 3 237.299 2.179 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@H](COC)C2)c([O-])c1 ZINC001236783256 979727753 /nfs/dbraw/zinc/72/77/53/979727753.db2.gz IWMFTKFWGARNFM-ZDUSSCGKSA-N 0 3 249.354 2.423 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@H](COC)C2)c([O-])c1 ZINC001236783256 979727762 /nfs/dbraw/zinc/72/77/62/979727762.db2.gz IWMFTKFWGARNFM-ZDUSSCGKSA-N 0 3 249.354 2.423 20 10 BECDHN O=C1CCC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]12 ZINC001203561981 979792380 /nfs/dbraw/zinc/79/23/80/979792380.db2.gz AIXHIHUOTBTOQK-AAEUAGOBSA-N 0 3 245.322 2.193 20 10 BECDHN O=C1CCC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]12 ZINC001203561981 979792387 /nfs/dbraw/zinc/79/23/87/979792387.db2.gz AIXHIHUOTBTOQK-AAEUAGOBSA-N 0 3 245.322 2.193 20 10 BECDHN CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001237046136 979807723 /nfs/dbraw/zinc/80/77/23/979807723.db2.gz QIZRXLAGOGYXCX-AWEZNQCLSA-N 0 3 249.354 2.472 20 10 BECDHN CC(C)c1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001237046136 979807729 /nfs/dbraw/zinc/80/77/29/979807729.db2.gz QIZRXLAGOGYXCX-AWEZNQCLSA-N 0 3 249.354 2.472 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001237484543 979910475 /nfs/dbraw/zinc/91/04/75/979910475.db2.gz DWDDHIALSAGLFI-TZMCWYRMSA-N 0 3 233.311 2.064 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001237484543 979910480 /nfs/dbraw/zinc/91/04/80/979910480.db2.gz DWDDHIALSAGLFI-TZMCWYRMSA-N 0 3 233.311 2.064 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC001237486208 979911531 /nfs/dbraw/zinc/91/15/31/979911531.db2.gz XYZCKJQSGISREA-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C)[C@H]1CO ZINC001237486208 979911535 /nfs/dbraw/zinc/91/15/35/979911535.db2.gz XYZCKJQSGISREA-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CCC2(COC2)CC1 ZINC001237481229 979912796 /nfs/dbraw/zinc/91/27/96/979912796.db2.gz DVKQIWPJKVEDCQ-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001237493048 979914663 /nfs/dbraw/zinc/91/46/63/979914663.db2.gz VCWXTWUEKHDNSZ-UXIGCNINSA-N 0 3 247.338 2.167 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2OC[C@@H](C)[C@H]2C1 ZINC001237493048 979914669 /nfs/dbraw/zinc/91/46/69/979914669.db2.gz VCWXTWUEKHDNSZ-UXIGCNINSA-N 0 3 247.338 2.167 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)C[C@H]1C ZINC001237487121 979914825 /nfs/dbraw/zinc/91/48/25/979914825.db2.gz GSCRVIPWGAUKRD-NEPJUHHUSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)C[C@H]1C ZINC001237487121 979914829 /nfs/dbraw/zinc/91/48/29/979914829.db2.gz GSCRVIPWGAUKRD-NEPJUHHUSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1C(C)(C)O ZINC001237493302 979917728 /nfs/dbraw/zinc/91/77/28/979917728.db2.gz XHLYMDVQKKIJHK-AWEZNQCLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1C(C)(C)O ZINC001237493302 979917733 /nfs/dbraw/zinc/91/77/33/979917733.db2.gz XHLYMDVQKKIJHK-AWEZNQCLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237493417 979918275 /nfs/dbraw/zinc/91/82/75/979918275.db2.gz YFPFYLWUZJWOLQ-WFASDCNBSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001237493417 979918285 /nfs/dbraw/zinc/91/82/85/979918285.db2.gz YFPFYLWUZJWOLQ-WFASDCNBSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](CCCO)C(C)C ZINC001237489987 979919257 /nfs/dbraw/zinc/91/92/57/979919257.db2.gz OMJILMOCYQVDSL-UHFFFAOYSA-N 0 3 237.343 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](CCCO)C(C)C ZINC001237489987 979919262 /nfs/dbraw/zinc/91/92/62/979919262.db2.gz OMJILMOCYQVDSL-UHFFFAOYSA-N 0 3 237.343 2.293 20 10 BECDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC001238065352 980132493 /nfs/dbraw/zinc/13/24/93/980132493.db2.gz TXIGLUKUOMVAIF-AOOOYVTPSA-N 0 3 221.275 2.291 20 10 BECDHN Cc1cc(F)cc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC001238065352 980132495 /nfs/dbraw/zinc/13/24/95/980132495.db2.gz TXIGLUKUOMVAIF-AOOOYVTPSA-N 0 3 221.275 2.291 20 10 BECDHN Cc1cc(F)cc(C[NH+]2CCCC2)c1[O-] ZINC001238057716 980134529 /nfs/dbraw/zinc/13/45/29/980134529.db2.gz LMNQNPNLBGIGOS-UHFFFAOYSA-N 0 3 209.264 2.436 20 10 BECDHN C[N@H+](Cc1ccc(=O)[nH]c1)Cc1ccccc1[O-] ZINC001139467807 991250545 /nfs/dbraw/zinc/25/05/45/991250545.db2.gz HJZWASCQAZPGEB-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN C[N@@H+](Cc1ccc(=O)[nH]c1)Cc1ccccc1[O-] ZINC001139467807 991250550 /nfs/dbraw/zinc/25/05/50/991250550.db2.gz HJZWASCQAZPGEB-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)c1ccccc1[O-] ZINC000392625698 993875142 /nfs/dbraw/zinc/87/51/42/993875142.db2.gz GEHPNTAIJZMJMX-SNVBAGLBSA-N 0 3 244.294 2.344 20 10 BECDHN CCC(CC)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180727557 168330268 /nfs/dbraw/zinc/33/02/68/168330268.db2.gz FEGYHBSCLNFNPS-UHFFFAOYSA-N 0 3 241.306 2.172 20 10 BECDHN COC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000296245945 398209572 /nfs/dbraw/zinc/20/95/72/398209572.db2.gz AZNYJGBNBHEANQ-QWHCGFSZSA-N 0 3 247.338 2.394 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCOC2)cc1C ZINC000237762219 178197214 /nfs/dbraw/zinc/19/72/14/178197214.db2.gz JORUDLVLSGDTHZ-ZDUSSCGKSA-N 0 3 235.327 2.278 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CCCO2)cc1C ZINC000294931708 178197869 /nfs/dbraw/zinc/19/78/69/178197869.db2.gz BPJFLQGJEVATGV-CYBMUJFWSA-N 0 3 235.327 2.278 20 10 BECDHN CC[C@H]([NH2+]CCCN(C)C)c1ccccc1[O-] ZINC000019958966 342964960 /nfs/dbraw/zinc/96/49/60/342964960.db2.gz BJATZLCDFDOTLG-ZDUSSCGKSA-N 0 3 236.359 2.385 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)CC ZINC000076074057 344021403 /nfs/dbraw/zinc/02/14/03/344021403.db2.gz ZDGHRZKKYYOKKC-ZDUSSCGKSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](O)CC ZINC000076074057 344021404 /nfs/dbraw/zinc/02/14/04/344021404.db2.gz ZDGHRZKKYYOKKC-ZDUSSCGKSA-N 0 3 237.343 2.375 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)Cn1ccnc1)c1ccccc1[O-] ZINC000037158181 343337461 /nfs/dbraw/zinc/33/74/61/343337461.db2.gz UHBGXNDXCCHFET-NWDGAFQWSA-N 0 3 245.326 2.328 20 10 BECDHN CC[N@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000180102396 347013535 /nfs/dbraw/zinc/01/35/35/347013535.db2.gz XGWNMTRAFTXSGC-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CC[N@@H+](Cc1cccc(OC)c1[O-])C1CC1 ZINC000180102396 347013538 /nfs/dbraw/zinc/01/35/38/347013538.db2.gz XGWNMTRAFTXSGC-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CCO)c1 ZINC000097436271 178804205 /nfs/dbraw/zinc/80/42/05/178804205.db2.gz LLYJCXDCVARJDR-NEPJUHHUSA-N 0 3 237.343 2.370 20 10 BECDHN Cc1cccc(C[NH+]2CCC([C@@H](C)O)CC2)c1[O-] ZINC000271736288 179073646 /nfs/dbraw/zinc/07/36/46/179073646.db2.gz OPBXXTFSYDBKTD-GFCCVEGCSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCCO[C@H](C)C2)c1[O-] ZINC000124587976 179074289 /nfs/dbraw/zinc/07/42/89/179074289.db2.gz FNXNDUXGZPQTQR-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc(C[N@H+]2CCCO[C@H](C)C2)c1[O-] ZINC000124587976 179074291 /nfs/dbraw/zinc/07/42/91/179074291.db2.gz FNXNDUXGZPQTQR-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc(C[N@H+](C)C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000271870942 179067030 /nfs/dbraw/zinc/06/70/30/179067030.db2.gz SDKMYWDNMIWTEE-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000271870942 179067032 /nfs/dbraw/zinc/06/70/32/179067032.db2.gz SDKMYWDNMIWTEE-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000293824517 179076257 /nfs/dbraw/zinc/07/62/57/179076257.db2.gz AHASFLSNLFZREG-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@H](O)CC2)c1[O-] ZINC000293824517 179076260 /nfs/dbraw/zinc/07/62/60/179076260.db2.gz AHASFLSNLFZREG-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1[O-] ZINC000141903394 179084625 /nfs/dbraw/zinc/08/46/25/179084625.db2.gz ZPLSPIWCFQALDD-BETUJISGSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](C)N(C)[C@@H](C)C2)c1[O-] ZINC000141903394 179084628 /nfs/dbraw/zinc/08/46/28/179084628.db2.gz ZPLSPIWCFQALDD-BETUJISGSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[NH2+]CC2(O)CCCC2)c1[O-] ZINC000124819324 179089613 /nfs/dbraw/zinc/08/96/13/179089613.db2.gz UCAQHYXADUOTJP-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H]2CCCC[C@H]2O)c1[O-] ZINC000124833178 179092012 /nfs/dbraw/zinc/09/20/12/179092012.db2.gz AMUUFIXWXAMKMO-GXTWGEPZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+]C[C@@H]2C[C@H]2C)c1[O-] ZINC000162517839 179093648 /nfs/dbraw/zinc/09/36/48/179093648.db2.gz KPGSEGBANNYWPN-PWSUYJOCSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cccc(C[NH2+]C[C@]2(O)CCC[C@H]2C)c1[O-] ZINC000294026752 179094042 /nfs/dbraw/zinc/09/40/42/179094042.db2.gz NWMQCKDFPXLBOM-IUODEOHRSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H]2CCCCO2)c1[O-] ZINC000124739289 179094255 /nfs/dbraw/zinc/09/42/55/179094255.db2.gz HUDAYLQNCHGOBB-CYBMUJFWSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](C)CCCCO)c1[O-] ZINC000294929308 179095273 /nfs/dbraw/zinc/09/52/73/179095273.db2.gz BKTWUNNAEAIKDP-LBPRGKRZSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1[O-] ZINC000124699360 179095438 /nfs/dbraw/zinc/09/54/38/179095438.db2.gz QNRHYCSKHREYFD-LBPRGKRZSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1cccc(C[NH2+]Cc2ccn(C)c2)c1[O-] ZINC000271867151 179096143 /nfs/dbraw/zinc/09/61/43/179096143.db2.gz WMXVWCDPPNXEEX-UHFFFAOYSA-N 0 3 230.311 2.329 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCCCO)c([O-])c1 ZINC000193279808 187827041 /nfs/dbraw/zinc/82/70/41/187827041.db2.gz YHIBBEQLFIYDQN-NSHDSACASA-N 0 3 223.316 2.124 20 10 BECDHN CCN1CCC([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000124656472 353169665 /nfs/dbraw/zinc/16/96/65/353169665.db2.gz BSJIEVRYAOUOER-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CO)c([O-])c1C ZINC000134926130 538109463 /nfs/dbraw/zinc/10/94/63/538109463.db2.gz JTHYPPRAYPZDCP-GXSJLCMTSA-N 0 3 223.316 2.040 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296567111 353828535 /nfs/dbraw/zinc/82/85/35/353828535.db2.gz UUWYTSSIPUKGOE-OUDYMMNNSA-N 0 3 247.338 2.296 20 10 BECDHN CCN(CC)c1ccc(CN[C@H]2C[C@@H](O)C2)cc1 ZINC000294886211 353792805 /nfs/dbraw/zinc/79/28/05/353792805.db2.gz QMQQQUOQGPLKPW-OTVXOJSOSA-N 0 3 248.370 2.146 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000133945208 358773115 /nfs/dbraw/zinc/77/31/15/358773115.db2.gz PKSWHBPJLFGILT-AWEZNQCLSA-N 0 3 246.354 2.062 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H](N2CCCC2)C1 ZINC000133945208 358773117 /nfs/dbraw/zinc/77/31/17/358773117.db2.gz PKSWHBPJLFGILT-AWEZNQCLSA-N 0 3 246.354 2.062 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CCCCCO)CC2 ZINC000296322985 183047234 /nfs/dbraw/zinc/04/72/34/183047234.db2.gz FWBPZRDUULDYMY-GFCCVEGCSA-N 0 3 235.327 2.132 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H](CO)C1CCCC1 ZINC000289441818 183109336 /nfs/dbraw/zinc/10/93/36/183109336.db2.gz AWQQEQUVIMQKGI-CYBMUJFWSA-N 0 3 235.327 2.033 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCCOC1)CC2 ZINC000296022343 183296646 /nfs/dbraw/zinc/29/66/46/183296646.db2.gz PPXMBBRLEIMERI-AAEUAGOBSA-N 0 3 247.338 2.396 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOCC1CC1)CC2 ZINC000297605997 183297377 /nfs/dbraw/zinc/29/73/77/183297377.db2.gz IFCXTYZYNWFWBV-ZDUSSCGKSA-N 0 3 247.338 2.396 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291209623 183301346 /nfs/dbraw/zinc/30/13/46/183301346.db2.gz IIZAVNDUCMQKID-CYBMUJFWSA-N 0 3 243.310 2.036 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](n2cccn2)C1 ZINC000291209623 183301348 /nfs/dbraw/zinc/30/13/48/183301348.db2.gz IIZAVNDUCMQKID-CYBMUJFWSA-N 0 3 243.310 2.036 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC1(O)CCCCC1 ZINC000060366861 183302513 /nfs/dbraw/zinc/30/25/13/183302513.db2.gz LNAAOMUOIWRKTR-UHFFFAOYSA-N 0 3 235.327 2.177 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CCCOCC1 ZINC000161435375 183303233 /nfs/dbraw/zinc/30/32/33/183303233.db2.gz NJGSBNQEXIQMNP-LBPRGKRZSA-N 0 3 221.300 2.051 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCCO1 ZINC000042811953 183303630 /nfs/dbraw/zinc/30/36/30/183303630.db2.gz JVWNKFFFGMJOCU-GFCCVEGCSA-N 0 3 221.300 2.051 20 10 BECDHN CCC[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000293543847 169384507 /nfs/dbraw/zinc/38/45/07/169384507.db2.gz AXESODIXAUUOJK-LBPRGKRZSA-N 0 3 241.306 2.436 20 10 BECDHN CCC[C@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000285457729 169558922 /nfs/dbraw/zinc/55/89/22/169558922.db2.gz JOOXCJWDXDLBFA-AWEZNQCLSA-N 0 3 235.327 2.441 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738585 384003598 /nfs/dbraw/zinc/00/35/98/384003598.db2.gz SAQPCAAYTPBTER-RYUDHWBXSA-N 0 3 235.327 2.388 20 10 BECDHN C[C@@H]([NH2+]C[C@@H]1CCOC1)c1ccccc1[O-] ZINC000037738243 384003932 /nfs/dbraw/zinc/00/39/32/384003932.db2.gz CERLPWLUEVSMQV-MNOVXSKESA-N 0 3 221.300 2.079 20 10 BECDHN CC(C)(C)[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000278647191 384060099 /nfs/dbraw/zinc/06/00/99/384060099.db2.gz JKTAHWNNDTXRKF-LBPRGKRZSA-N 0 3 241.306 2.028 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c([O-])c1 ZINC000038088167 384067939 /nfs/dbraw/zinc/06/79/39/384067939.db2.gz VGCJTBIUIDVLQF-VXGBXAGGSA-N 0 3 236.359 2.301 20 10 BECDHN C[C@H]([NH2+]CCCCCO)c1ccccc1[O-] ZINC000038272164 384081673 /nfs/dbraw/zinc/08/16/73/384081673.db2.gz FTXVZLBMVKCLSW-NSHDSACASA-N 0 3 223.316 2.205 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976143 384145261 /nfs/dbraw/zinc/14/52/61/384145261.db2.gz CNVHRNWTQDRHTK-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCO1 ZINC000070976143 384145268 /nfs/dbraw/zinc/14/52/68/384145268.db2.gz CNVHRNWTQDRHTK-GFCCVEGCSA-N 0 3 221.300 2.003 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCOC2)c1 ZINC000071408211 384164928 /nfs/dbraw/zinc/16/49/28/384164928.db2.gz YFUMCDOKHVIVRR-LBPRGKRZSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCN(C)C)c1 ZINC000071408486 384165594 /nfs/dbraw/zinc/16/55/94/384165594.db2.gz FXUUKEDRVXXHPN-LBPRGKRZSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]Cc2cnn(C)c2)c([O-])c1 ZINC000041158925 384181311 /nfs/dbraw/zinc/18/13/11/384181311.db2.gz AFPMIFWZOIQGNQ-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCO)c1 ZINC000132492367 384234569 /nfs/dbraw/zinc/23/45/69/384234569.db2.gz NJYIWONJCORPHW-MNOVXSKESA-N 0 3 223.316 2.122 20 10 BECDHN COC[C@H](C)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000132677435 384244860 /nfs/dbraw/zinc/24/48/60/384244860.db2.gz WBBKCUTZQASWGM-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN COC[C@H](C)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000132677435 384244867 /nfs/dbraw/zinc/24/48/67/384244867.db2.gz WBBKCUTZQASWGM-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN CCC[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297649167 384310828 /nfs/dbraw/zinc/31/08/28/384310828.db2.gz KCKVAJMVFZEAIR-RYUDHWBXSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@@H](CCCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094942582 384319825 /nfs/dbraw/zinc/31/98/25/384319825.db2.gz XIPLNBHROPMHEP-UWVGGRQHSA-N 0 3 241.306 2.343 20 10 BECDHN CC[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000119586416 384287400 /nfs/dbraw/zinc/28/74/00/384287400.db2.gz FPMZWAKPYHWDDK-JTQLQIEISA-N 0 3 249.310 2.353 20 10 BECDHN CC[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000119586416 384287404 /nfs/dbraw/zinc/28/74/04/384287404.db2.gz FPMZWAKPYHWDDK-JTQLQIEISA-N 0 3 249.310 2.353 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCCO)c([O-])c1C ZINC000134904163 384398091 /nfs/dbraw/zinc/39/80/91/384398091.db2.gz PPGSVJPTRLINMD-LLVKDONJSA-N 0 3 223.316 2.042 20 10 BECDHN COC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C1CC1 ZINC000183625859 384541626 /nfs/dbraw/zinc/54/16/26/384541626.db2.gz QJKRWFAAPAKNMT-MFKMUULPSA-N 0 3 235.327 2.468 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCCN(C)C)c([O-])c1 ZINC000020091839 384574209 /nfs/dbraw/zinc/57/42/09/384574209.db2.gz OXTLMHXJQZFOEY-LBPRGKRZSA-N 0 3 236.359 2.303 20 10 BECDHN C[C@@H](O)C[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000184829107 384653767 /nfs/dbraw/zinc/65/37/67/384653767.db2.gz QUPHYQLLQQYSOI-MNOVXSKESA-N 0 3 249.354 2.302 20 10 BECDHN CCOc1cccc(C[NH2+]C2CCC2)c1[O-] ZINC000052207210 384724284 /nfs/dbraw/zinc/72/42/84/384724284.db2.gz NDYOYEMSLICIAD-UHFFFAOYSA-N 0 3 221.300 2.433 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN2C)c([O-])c1 ZINC000185142378 384685109 /nfs/dbraw/zinc/68/51/09/384685109.db2.gz FUUUGZLVNKOWJO-CHWSQXEVSA-N 0 3 248.370 2.445 20 10 BECDHN CC[N@H+](CCOC)Cc1cccc(C)c1[O-] ZINC000162809837 384689406 /nfs/dbraw/zinc/68/94/06/384689406.db2.gz ZMSOBJXSUDTXLO-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CC[N@@H+](CCOC)Cc1cccc(C)c1[O-] ZINC000162809837 384689412 /nfs/dbraw/zinc/68/94/12/384689412.db2.gz ZMSOBJXSUDTXLO-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COC[C@]1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000294288996 384729705 /nfs/dbraw/zinc/72/97/05/384729705.db2.gz UCIYZUCQARQTTO-CQSZACIVSA-N 0 3 235.327 2.251 20 10 BECDHN COC[C@]1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000294288996 384729713 /nfs/dbraw/zinc/72/97/13/384729713.db2.gz UCIYZUCQARQTTO-CQSZACIVSA-N 0 3 235.327 2.251 20 10 BECDHN CC[C@@H]([NH2+]CC[C@@H](C)O)c1ccccc1[O-] ZINC000082993793 384734093 /nfs/dbraw/zinc/73/40/93/384734093.db2.gz UIRHOQXSLNICJG-ZYHUDNBSSA-N 0 3 223.316 2.204 20 10 BECDHN C[C@@H](CO)[NH2+][C@@H](C)c1cc2c(cc1[O-])CCCC2 ZINC000185579304 384741888 /nfs/dbraw/zinc/74/18/88/384741888.db2.gz TUFWWGHRZGAJFF-QWRGUYRKSA-N 0 3 249.354 2.302 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)CO)c1ccccc1[O-] ZINC000083219984 384755363 /nfs/dbraw/zinc/75/53/63/384755363.db2.gz HXTIXRDDFWQZEC-JQWIXIFHSA-N 0 3 223.316 2.061 20 10 BECDHN CC(C)[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000163979645 384888037 /nfs/dbraw/zinc/88/80/37/384888037.db2.gz CJZMVVDCONGZIY-ZWNOBZJWSA-N 0 3 223.316 2.060 20 10 BECDHN CCC[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000163995113 384895931 /nfs/dbraw/zinc/89/59/31/384895931.db2.gz IWGXXTQGVGOMGB-CYBMUJFWSA-N 0 3 223.316 2.033 20 10 BECDHN CC[C@H](C[NH2+]Cc1cccc(C)c1[O-])OC ZINC000290947584 385060806 /nfs/dbraw/zinc/06/08/06/385060806.db2.gz QIYOZOXKWQOJKP-GFCCVEGCSA-N 0 3 223.316 2.215 20 10 BECDHN CC[C@@H](C[NH2+]Cc1cccc(C)c1[O-])OC ZINC000290947585 385062993 /nfs/dbraw/zinc/06/29/93/385062993.db2.gz QIYOZOXKWQOJKP-LBPRGKRZSA-N 0 3 223.316 2.215 20 10 BECDHN CO[C@@](C)(C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000291099355 385205350 /nfs/dbraw/zinc/20/53/50/385205350.db2.gz ZMKKSMHURDXWKP-AWEZNQCLSA-N 0 3 235.327 2.297 20 10 BECDHN CC(C)=CC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000191625597 385311686 /nfs/dbraw/zinc/31/16/86/385311686.db2.gz XXXNJGQULQUKEB-UHFFFAOYSA-N 0 3 235.283 2.177 20 10 BECDHN CO[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000191206396 385292577 /nfs/dbraw/zinc/29/25/77/385292577.db2.gz HSHNDXZTHAETJO-WDEREUQCSA-N 0 3 223.316 2.386 20 10 BECDHN CC[C@]1(CO)CCC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000191958112 385337576 /nfs/dbraw/zinc/33/75/76/385337576.db2.gz XJFNUMNMVWSRDV-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@]1(CO)CCC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000191958112 385337580 /nfs/dbraw/zinc/33/75/80/385337580.db2.gz XJFNUMNMVWSRDV-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN C[C@@H](CC(C)(C)O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000294972120 385342362 /nfs/dbraw/zinc/34/23/62/385342362.db2.gz FVJNGFNAJXVVFL-VIFPVBQESA-N 0 3 241.306 2.170 20 10 BECDHN CO[C@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000182426737 385444047 /nfs/dbraw/zinc/44/40/47/385444047.db2.gz HPMVCCNCJQWQST-NXEZZACHSA-N 0 3 209.289 2.078 20 10 BECDHN CCOC[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179583639 385476863 /nfs/dbraw/zinc/47/68/63/385476863.db2.gz YXWVSZRIZQRNFO-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN CCOC[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179583639 385476864 /nfs/dbraw/zinc/47/68/64/385476864.db2.gz YXWVSZRIZQRNFO-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN CO[C@H]1CCC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000179749523 385488618 /nfs/dbraw/zinc/48/86/18/385488618.db2.gz BJPHEPAASSHTQC-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@H]1CCC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000179749523 385488624 /nfs/dbraw/zinc/48/86/24/385488624.db2.gz BJPHEPAASSHTQC-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCC[C@H]1O ZINC000270517047 385713917 /nfs/dbraw/zinc/71/39/17/385713917.db2.gz LCQSRMMAEFABKW-GXTWGEPZSA-N 0 3 235.327 2.128 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCC[C@H]1O ZINC000270517047 385713922 /nfs/dbraw/zinc/71/39/22/385713922.db2.gz LCQSRMMAEFABKW-GXTWGEPZSA-N 0 3 235.327 2.128 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCC[C@@H](C)CO)c1 ZINC000230160730 385713929 /nfs/dbraw/zinc/71/39/29/385713929.db2.gz WYDOPYULGKEOSV-GFCCVEGCSA-N 0 3 237.343 2.199 20 10 BECDHN C[C@@H]([NH2+]CC(C)(C)CCO)c1ccccc1[O-] ZINC000183538592 385769905 /nfs/dbraw/zinc/76/99/05/385769905.db2.gz PPLJGQREBWKGTD-LLVKDONJSA-N 0 3 237.343 2.451 20 10 BECDHN CC[C@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1O ZINC000271244486 385809347 /nfs/dbraw/zinc/80/93/47/385809347.db2.gz BUTKZVBYTHHKCH-WFASDCNBSA-N 0 3 249.354 2.212 20 10 BECDHN CC[C@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1O ZINC000271244486 385809355 /nfs/dbraw/zinc/80/93/55/385809355.db2.gz BUTKZVBYTHHKCH-WFASDCNBSA-N 0 3 249.354 2.212 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCC[C@H]1O ZINC000272587405 385914985 /nfs/dbraw/zinc/91/49/85/385914985.db2.gz HIJKCXIFKZCQPB-DZGCQCFKSA-N 0 3 249.354 2.375 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCC[C@H]1O ZINC000272587405 385914990 /nfs/dbraw/zinc/91/49/90/385914990.db2.gz HIJKCXIFKZCQPB-DZGCQCFKSA-N 0 3 249.354 2.375 20 10 BECDHN CS[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000295026996 385948092 /nfs/dbraw/zinc/94/80/92/385948092.db2.gz LFFFRZZJXSUDKD-NSHDSACASA-N 0 3 223.341 2.330 20 10 BECDHN CS[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000295026996 385948099 /nfs/dbraw/zinc/94/80/99/385948099.db2.gz LFFFRZZJXSUDKD-NSHDSACASA-N 0 3 223.341 2.330 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000276001925 386260733 /nfs/dbraw/zinc/26/07/33/386260733.db2.gz NUUMIZDMFBEFGR-JOCQHMNTSA-N 0 3 235.327 2.128 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CC[C@H](O)CC1 ZINC000276001925 386260736 /nfs/dbraw/zinc/26/07/36/386260736.db2.gz NUUMIZDMFBEFGR-JOCQHMNTSA-N 0 3 235.327 2.128 20 10 BECDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2cc(C)ccc2[O-])C1 ZINC000289563787 386329105 /nfs/dbraw/zinc/32/91/05/386329105.db2.gz RYDNLIYSCHFQCT-BETUJISGSA-N 0 3 235.327 2.310 20 10 BECDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2cc(C)ccc2[O-])C1 ZINC000289563787 386329108 /nfs/dbraw/zinc/32/91/08/386329108.db2.gz RYDNLIYSCHFQCT-BETUJISGSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCOC[C@@H]2C)c1 ZINC000277665330 386456146 /nfs/dbraw/zinc/45/61/46/386456146.db2.gz FURICZMGTMVKNF-WCQYABFASA-N 0 3 235.327 2.215 20 10 BECDHN CC(C)[C@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228794611 386618344 /nfs/dbraw/zinc/61/83/44/386618344.db2.gz CVDDRKODJYBLLS-AAEUAGOBSA-N 0 3 237.343 2.450 20 10 BECDHN Cc1cc(CN2CCC[C@@H](O)C2)ccc1N(C)C ZINC000293587917 386662750 /nfs/dbraw/zinc/66/27/50/386662750.db2.gz UFWXBDZJXANEAC-CQSZACIVSA-N 0 3 248.370 2.018 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CC[C@H](C)O)c([O-])c1 ZINC000293677469 386670815 /nfs/dbraw/zinc/67/08/15/386670815.db2.gz KCLJLYKIBCGRFD-RYUDHWBXSA-N 0 3 237.343 2.431 20 10 BECDHN C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)c1ccccc1[O-] ZINC000296241755 386711936 /nfs/dbraw/zinc/71/19/36/386711936.db2.gz CNSXOXUNPBCVMU-TUAOUCFPSA-N 0 3 235.327 2.204 20 10 BECDHN CC(C)[C@]1(CO)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000368225658 386952028 /nfs/dbraw/zinc/95/20/28/386952028.db2.gz LWZLJCBYXPTLDE-OAHLLOKOSA-N 0 3 249.354 2.233 20 10 BECDHN CC(C)[C@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368225658 386952033 /nfs/dbraw/zinc/95/20/33/386952033.db2.gz LWZLJCBYXPTLDE-OAHLLOKOSA-N 0 3 249.354 2.233 20 10 BECDHN CCC[C@@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000285457731 387267931 /nfs/dbraw/zinc/26/79/31/387267931.db2.gz JOOXCJWDXDLBFA-CQSZACIVSA-N 0 3 235.327 2.441 20 10 BECDHN CC[C@H]([NH2+]CC1COC1)c1ccc(C)cc1[O-] ZINC000528025947 387830205 /nfs/dbraw/zinc/83/02/05/387830205.db2.gz HDZXJYYWFLSBKR-ZDUSSCGKSA-N 0 3 235.327 2.388 20 10 BECDHN CCC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000224809730 387939431 /nfs/dbraw/zinc/93/94/31/387939431.db2.gz YOPOFNCIENSKFZ-CQSZACIVSA-N 0 3 237.343 2.341 20 10 BECDHN C[C@H](CCCCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000295053473 388407954 /nfs/dbraw/zinc/40/79/54/388407954.db2.gz NPOALROWJIYDDK-SNVBAGLBSA-N 0 3 241.306 2.172 20 10 BECDHN CO[C@@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296331511 388421933 /nfs/dbraw/zinc/42/19/33/388421933.db2.gz GHQWYFYOBOSRCE-GXSJLCMTSA-N 0 3 221.300 2.004 20 10 BECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@H]1CCOC1 ZINC000297156511 388429030 /nfs/dbraw/zinc/42/90/30/388429030.db2.gz BDEICBLHTXNXHK-DRZSPHRISA-N 0 3 247.338 2.394 20 10 BECDHN C[C@@H](CCO)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297459620 388429828 /nfs/dbraw/zinc/42/98/28/388429828.db2.gz XREUHZHZKGXUHC-DGCLKSJQSA-N 0 3 249.354 2.378 20 10 BECDHN C[C@H](CCCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297616473 388430579 /nfs/dbraw/zinc/43/05/79/388430579.db2.gz ISPPEVPKKFRBNE-ZYHUDNBSSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H]([NH2+]CCC(C)(C)O)c1ccccc1[O-] ZINC000271654867 389023690 /nfs/dbraw/zinc/02/36/90/389023690.db2.gz JTNBRKRILSXZLA-JTQLQIEISA-N 0 3 223.316 2.204 20 10 BECDHN CO[C@@H](C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272892456 389035251 /nfs/dbraw/zinc/03/52/51/389035251.db2.gz SXWDMUXXIPAGKP-QWRGUYRKSA-N 0 3 223.316 2.468 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000179577212 134321790 /nfs/dbraw/zinc/32/17/90/134321790.db2.gz MEDLBVSQORUUKF-UKRRQHHQSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000179577212 134321791 /nfs/dbraw/zinc/32/17/91/134321791.db2.gz MEDLBVSQORUUKF-UKRRQHHQSA-N 0 3 247.338 2.393 20 10 BECDHN Cc1cccc(CN2CCOCC23CCC3)c1O ZINC000180320787 134328932 /nfs/dbraw/zinc/32/89/32/134328932.db2.gz JYRUIAPMKHIIEA-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000180615639 134330629 /nfs/dbraw/zinc/33/06/29/134330629.db2.gz UUCWONHFJSUHQM-HNNXBMFYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@]3(CCOC3)C2)c1[O-] ZINC000180615639 134330630 /nfs/dbraw/zinc/33/06/30/134330630.db2.gz UUCWONHFJSUHQM-HNNXBMFYSA-N 0 3 247.338 2.313 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC1=CCCOC1)CC2 ZINC000297260603 135380005 /nfs/dbraw/zinc/38/00/05/135380005.db2.gz JXWUCROKUDACEW-CYBMUJFWSA-N 0 3 245.322 2.316 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCSC2)c1 ZINC000230705287 135548036 /nfs/dbraw/zinc/54/80/36/135548036.db2.gz IFKVUDVQYYOQSZ-NSHDSACASA-N 0 3 223.341 2.296 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CCCOC1)c1ccccc1[O-] ZINC000038044196 398024940 /nfs/dbraw/zinc/02/49/40/398024940.db2.gz QJMYCKFEFYEEFC-NWDGAFQWSA-N 0 3 235.327 2.469 20 10 BECDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCO1 ZINC000179917890 398048962 /nfs/dbraw/zinc/04/89/62/398048962.db2.gz KLWZDGCTONPTSM-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCCO1 ZINC000179917890 398048965 /nfs/dbraw/zinc/04/89/65/398048965.db2.gz KLWZDGCTONPTSM-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)COC1 ZINC000297970101 168046632 /nfs/dbraw/zinc/04/66/32/168046632.db2.gz ZSRIWPHYPXPALX-NSHDSACASA-N 0 3 233.311 2.006 20 10 BECDHN CC[C@@H](CNCc1ccc2c(c1)CCO2)OC ZINC000289890398 170829549 /nfs/dbraw/zinc/82/95/49/170829549.db2.gz SQCXZYAIHGGTEB-ZDUSSCGKSA-N 0 3 235.327 2.136 20 10 BECDHN CC[C@@](C)(O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618377 171186123 /nfs/dbraw/zinc/18/61/23/171186123.db2.gz OHIGBBFVRRXDBX-NOZJJQNGSA-N 0 3 241.306 2.343 20 10 BECDHN CN(C)C(C)(C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296111000 172398112 /nfs/dbraw/zinc/39/81/12/172398112.db2.gz UTNFZEYEKUCZOI-LBPRGKRZSA-N 0 3 248.370 2.309 20 10 BECDHN COC1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000271039795 174030110 /nfs/dbraw/zinc/03/01/10/174030110.db2.gz LQUJZSDTKHMVRX-UHFFFAOYSA-N 0 3 248.370 2.363 20 10 BECDHN COCC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000276858108 174072662 /nfs/dbraw/zinc/07/26/62/174072662.db2.gz AVIVJXPRJJQRKF-UHFFFAOYSA-N 0 3 223.316 2.154 20 10 BECDHN COCCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000070955478 174199838 /nfs/dbraw/zinc/19/98/38/174199838.db2.gz BISBJWNGJQBPES-UHFFFAOYSA-N 0 3 223.316 2.217 20 10 BECDHN COCCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111336 174250622 /nfs/dbraw/zinc/25/06/22/174250622.db2.gz FBIYYDZTKJLLQL-SECBINFHSA-N 0 3 227.279 2.218 20 10 BECDHN COCC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000081709155 174384966 /nfs/dbraw/zinc/38/49/66/174384966.db2.gz SIGQKMDUYLHTPP-GHMZBOCLSA-N 0 3 223.316 2.468 20 10 BECDHN CO[C@H](C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297895363 174817820 /nfs/dbraw/zinc/81/78/20/174817820.db2.gz VTXSENWHPXGHSF-ZYHUDNBSSA-N 0 3 235.327 2.394 20 10 BECDHN COc1cccc(C[NH2+]CCCSC)c1[O-] ZINC000068997486 175264563 /nfs/dbraw/zinc/26/45/63/175264563.db2.gz VJQSKFIUUQNHAD-UHFFFAOYSA-N 0 3 241.356 2.244 20 10 BECDHN C[C@@H]1CSCC[N@@H+]1Cc1ccccc1[O-] ZINC000179575136 176350956 /nfs/dbraw/zinc/35/09/56/176350956.db2.gz YXOASKDNWHDQBA-SNVBAGLBSA-N 0 3 223.341 2.330 20 10 BECDHN C[C@@H]1CSCC[N@H+]1Cc1ccccc1[O-] ZINC000179575136 176350957 /nfs/dbraw/zinc/35/09/57/176350957.db2.gz YXOASKDNWHDQBA-SNVBAGLBSA-N 0 3 223.341 2.330 20 10 BECDHN COc1ccc(CN[C@H]2C[C@@H](O)C2(C)C)cc1C ZINC000129580405 323008860 /nfs/dbraw/zinc/00/88/60/323008860.db2.gz CTQUJXKNJWGVTF-UONOGXRCSA-N 0 3 249.354 2.253 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC1CC=CC1 ZINC000527751617 323677934 /nfs/dbraw/zinc/67/79/34/323677934.db2.gz WWQPQFXDRMEYOD-UHFFFAOYSA-N 0 3 203.285 2.448 20 10 BECDHN CN(C)CCC[NH2+]Cc1c([O-])cccc1Cl ZINC000083551249 491126481 /nfs/dbraw/zinc/12/64/81/491126481.db2.gz OMSSWJIFAJNWTF-UHFFFAOYSA-N 0 3 242.750 2.087 20 10 BECDHN C[NH+](C)CCCNCc1c([O-])cccc1Cl ZINC000083551249 491126482 /nfs/dbraw/zinc/12/64/82/491126482.db2.gz OMSSWJIFAJNWTF-UHFFFAOYSA-N 0 3 242.750 2.087 20 10 BECDHN CC[C@H](COC)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297573454 536122144 /nfs/dbraw/zinc/12/21/44/536122144.db2.gz GUSKRBSNXONXME-NEPJUHHUSA-N 0 3 235.327 2.394 20 10 BECDHN C[NH2+]C[C@H](C)NCc1cc(Cl)cc(C)c1[O-] ZINC000853249734 588728822 /nfs/dbraw/zinc/72/88/22/588728822.db2.gz VKVAXWFMJMDPTH-VIFPVBQESA-N 0 3 242.750 2.052 20 10 BECDHN C[NH2+]C[C@@H](C)N[C@H](C)c1cc(Cl)ccc1[O-] ZINC000854232192 588781251 /nfs/dbraw/zinc/78/12/51/588781251.db2.gz NZUQMHBLVQQNKG-RKDXNWHRSA-N 0 3 242.750 2.304 20 10 BECDHN CNC[C@@H](C)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000854232192 588781252 /nfs/dbraw/zinc/78/12/52/588781252.db2.gz NZUQMHBLVQQNKG-RKDXNWHRSA-N 0 3 242.750 2.304 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C/C=C\CO)c([O-])c1C ZINC000850510268 582923499 /nfs/dbraw/zinc/92/34/99/582923499.db2.gz WYTGRPFFUNKXHL-RXNFCKPNSA-N 0 3 235.327 2.208 20 10 BECDHN C[N@H+](CC[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000783535017 582958911 /nfs/dbraw/zinc/95/89/11/582958911.db2.gz JWFSGRHAMBUMGU-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN C[N@@H+](CC[C@@H]1CCOC1)Cc1ccccc1[O-] ZINC000783535017 582958913 /nfs/dbraw/zinc/95/89/13/582958913.db2.gz JWFSGRHAMBUMGU-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN COc1ccc(C[NH2+]C2CC=CC2)c([O-])c1OC ZINC000893131675 583054833 /nfs/dbraw/zinc/05/48/33/583054833.db2.gz GRPCEAZPSDYHBQ-UHFFFAOYSA-N 0 3 249.310 2.218 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H](CO)C2)c1[O-] ZINC000857060527 588884690 /nfs/dbraw/zinc/88/46/90/588884690.db2.gz ASTGYYBLIJAXSN-SMDDNHRTSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](CO)C2)c1[O-] ZINC000857060527 588884691 /nfs/dbraw/zinc/88/46/91/588884691.db2.gz ASTGYYBLIJAXSN-SMDDNHRTSA-N 0 3 249.354 2.151 20 10 BECDHN COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@@H]2C)c1[O-] ZINC000894175549 583326402 /nfs/dbraw/zinc/32/64/02/583326402.db2.gz IXXONWGOSLKDLF-QWRGUYRKSA-N 0 3 235.327 2.455 20 10 BECDHN CO[C@H]1C[C@H](C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000895540533 583688220 /nfs/dbraw/zinc/68/82/20/583688220.db2.gz ZQFJSRHRVVQQTH-HAQNSBGRSA-N 0 3 235.327 2.215 20 10 BECDHN C/C=C\C[NH2+]Cc1ccc(OC)c(OC)c1[O-] ZINC000895629906 583698188 /nfs/dbraw/zinc/69/81/88/583698188.db2.gz CAWSPDALNLGIBQ-PLNGDYQASA-N 0 3 237.299 2.075 20 10 BECDHN CCn1cncc1CNCc1cc(C)ccc1O ZINC000858239371 588940342 /nfs/dbraw/zinc/94/03/42/588940342.db2.gz MPCUBYAWHUJOLN-UHFFFAOYSA-N 0 3 245.326 2.207 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C2CC(CCO)C2)cc1C ZINC000898008793 584070906 /nfs/dbraw/zinc/07/09/06/584070906.db2.gz UNAMVYRRONCETC-UHFFFAOYSA-N 0 3 249.354 2.260 20 10 BECDHN CC[C@H]([NH3+])CNCc1c([O-])cc(C)cc1Cl ZINC000841071943 584391941 /nfs/dbraw/zinc/39/19/41/584391941.db2.gz KCJYKVJGLQFXIT-VIFPVBQESA-N 0 3 242.750 2.181 20 10 BECDHN CC[C@@H]([NH2+]CC1(N)CC1)c1ccc(F)cc1[O-] ZINC000902404913 584588816 /nfs/dbraw/zinc/58/88/16/584588816.db2.gz GZGZJUBMPWZXEA-LLVKDONJSA-N 0 3 238.306 2.063 20 10 BECDHN Cc1ccc([C@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c([O-])c1 ZINC000902477293 584603373 /nfs/dbraw/zinc/60/33/73/584603373.db2.gz SJXZRWSFWVZKRA-UZGDPCLZSA-N 0 3 246.354 2.244 20 10 BECDHN Cc1ccc([C@H](C)N[C@H]2C[NH2+]CC2(C)C)c([O-])c1 ZINC000902450548 584606993 /nfs/dbraw/zinc/60/69/93/584606993.db2.gz TWKMSDFXYSGGTL-FZMZJTMJSA-N 0 3 248.370 2.349 20 10 BECDHN CC[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[O-] ZINC000902451965 584607468 /nfs/dbraw/zinc/60/74/68/584607468.db2.gz ZIBKEBMLOFIIEN-OCCSQVGLSA-N 0 3 248.370 2.431 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C)c([O-])c1C ZINC000903319423 584746676 /nfs/dbraw/zinc/74/66/76/584746676.db2.gz ZCGCARAENWWXJY-STQMWFEESA-N 0 3 248.370 2.364 20 10 BECDHN CC[C@@H](NCC[NH2+]C)c1cccc(Cl)c1[O-] ZINC000817953317 584991384 /nfs/dbraw/zinc/99/13/84/584991384.db2.gz ZZDJEOLYBXLUMM-LLVKDONJSA-N 0 3 242.750 2.306 20 10 BECDHN CC(C)[C@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817958800 584992172 /nfs/dbraw/zinc/99/21/72/584992172.db2.gz MOSQDZNMHZCKBO-JOYOIKCWSA-N 0 3 240.322 2.165 20 10 BECDHN CC(C)[C@H]([NH3+])CN[C@@H](C)c1ccc(F)cc1[O-] ZINC000817958800 584992173 /nfs/dbraw/zinc/99/21/73/584992173.db2.gz MOSQDZNMHZCKBO-JOYOIKCWSA-N 0 3 240.322 2.165 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccc(F)cc1[O-] ZINC000817979328 584994337 /nfs/dbraw/zinc/99/43/37/584994337.db2.gz JNCBSNCAWKFGGA-CMPLNLGQSA-N 0 3 240.322 2.309 20 10 BECDHN CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000839147529 585092339 /nfs/dbraw/zinc/09/23/39/585092339.db2.gz MADMPXNHIYVYDS-BETUJISGSA-N 0 3 235.327 2.358 20 10 BECDHN CC[C@@H]1OCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000839191874 585097497 /nfs/dbraw/zinc/09/74/97/585097497.db2.gz LLBGQFCRNSBPAC-KGLIPLIRSA-N 0 3 247.338 2.279 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193298 585097903 /nfs/dbraw/zinc/09/79/03/585097903.db2.gz TTWRSSACJBGHBK-QWRGUYRKSA-N 0 3 221.325 2.082 20 10 BECDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000839193298 585097904 /nfs/dbraw/zinc/09/79/04/585097904.db2.gz TTWRSSACJBGHBK-QWRGUYRKSA-N 0 3 221.325 2.082 20 10 BECDHN CCN(C)c1ccc(CN2CCC[C@@H](O)C2)cc1 ZINC000741753403 585117410 /nfs/dbraw/zinc/11/74/10/585117410.db2.gz XLTMHHQVHNRTIM-OAHLLOKOSA-N 0 3 248.370 2.099 20 10 BECDHN C[C@@H]1C[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000754100742 585278297 /nfs/dbraw/zinc/27/82/97/585278297.db2.gz FDWJXRBBWXFAOZ-PWSUYJOCSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@@H]1C[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000754100742 585278298 /nfs/dbraw/zinc/27/82/98/585278298.db2.gz FDWJXRBBWXFAOZ-PWSUYJOCSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@H]1C[C@@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000754100737 585278402 /nfs/dbraw/zinc/27/84/02/585278402.db2.gz FDWJXRBBWXFAOZ-CMPLNLGQSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@H]1C[C@@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000754100737 585278403 /nfs/dbraw/zinc/27/84/03/585278403.db2.gz FDWJXRBBWXFAOZ-CMPLNLGQSA-N 0 3 205.301 2.480 20 10 BECDHN CC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000756342846 585317910 /nfs/dbraw/zinc/31/79/10/585317910.db2.gz MCPYSGLIHWTREP-NWDGAFQWSA-N 0 3 237.343 2.431 20 10 BECDHN COCC[NH2+][C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756342427 585318053 /nfs/dbraw/zinc/31/80/53/585318053.db2.gz JPNRSTNJVBJBOY-WPRPVWTQSA-N 0 3 239.290 2.316 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CC(C)(C)O)c([O-])c1C ZINC000756564325 585321156 /nfs/dbraw/zinc/32/11/56/585321156.db2.gz SNBHJJWYIMYHHU-LLVKDONJSA-N 0 3 237.343 2.431 20 10 BECDHN CO[C@H](C)[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000765607987 585491141 /nfs/dbraw/zinc/49/11/41/585491141.db2.gz GJUREHQQUJQBIV-GHMZBOCLSA-N 0 3 235.327 2.135 20 10 BECDHN COc1cccc([O-])c1C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000769448365 585556941 /nfs/dbraw/zinc/55/69/41/585556941.db2.gz MGPGVCQOYNFPHZ-GHMZBOCLSA-N 0 3 235.327 2.489 20 10 BECDHN Cc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c1[O-] ZINC000775985814 585688846 /nfs/dbraw/zinc/68/88/46/585688846.db2.gz OLOBGHLCSWHDES-OLZOCXBDSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)c1[O-] ZINC000775985814 585688847 /nfs/dbraw/zinc/68/88/47/585688847.db2.gz OLOBGHLCSWHDES-OLZOCXBDSA-N 0 3 248.370 2.225 20 10 BECDHN Cn1ccc(C[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000779091282 585744813 /nfs/dbraw/zinc/74/48/13/585744813.db2.gz QOCASQACAMHEQM-UHFFFAOYSA-N 0 3 234.274 2.160 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1[O-] ZINC000780893350 585785914 /nfs/dbraw/zinc/78/59/14/585785914.db2.gz WCXSXCUDTVXVFN-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@H]([C@H](C)O)C2)c1[O-] ZINC000780893350 585785915 /nfs/dbraw/zinc/78/59/15/585785915.db2.gz WCXSXCUDTVXVFN-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CC2(CO)CC2)c([O-])c1 ZINC000788608382 585927678 /nfs/dbraw/zinc/92/76/78/585927678.db2.gz GHGCTVIXCJKOMM-LBPRGKRZSA-N 0 3 249.354 2.432 20 10 BECDHN CN(C)c1ccc(CNCC2(F)CC2)cc1F ZINC000792941993 586007511 /nfs/dbraw/zinc/00/75/11/586007511.db2.gz YPOWLUQSGWYCIE-UHFFFAOYSA-N 0 3 240.297 2.483 20 10 BECDHN C[C@H]1C[C@H](C)N1Cc1cc2c(cc1O)OCO2 ZINC000793228488 586014771 /nfs/dbraw/zinc/01/47/71/586014771.db2.gz MVULCRKFGCTXHZ-IUCAKERBSA-N 0 3 235.283 2.104 20 10 BECDHN COCCC1([NH2+]Cc2ccccc2[O-])CCC1 ZINC000793329164 586016942 /nfs/dbraw/zinc/01/69/42/586016942.db2.gz JLYNSPGQBKQDAT-UHFFFAOYSA-N 0 3 235.327 2.441 20 10 BECDHN CC[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccc(C)cc1[O-] ZINC000794804386 586049374 /nfs/dbraw/zinc/04/93/74/586049374.db2.gz DSKJCWZTQDQCQF-TZMCWYRMSA-N 0 3 248.370 2.445 20 10 BECDHN CN(C)c1ccc(CN(C)Cc2cnc[nH]2)cc1 ZINC000796439442 586103234 /nfs/dbraw/zinc/10/32/34/586103234.db2.gz PCGSYNACCLLQBJ-UHFFFAOYSA-N 0 3 244.342 2.108 20 10 BECDHN COc1cccc([O-])c1C[NH+]1CC(C2CC2)C1 ZINC000812775169 586583915 /nfs/dbraw/zinc/58/39/15/586583915.db2.gz HYZGOPJVMUELEB-UHFFFAOYSA-N 0 3 233.311 2.243 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CCOC2)c([O-])c1 ZINC000815597836 586688894 /nfs/dbraw/zinc/68/88/94/586688894.db2.gz HIDXXVKALOVINL-NWDGAFQWSA-N 0 3 235.327 2.449 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648719 586751643 /nfs/dbraw/zinc/75/16/43/586751643.db2.gz OAZCILCFXPCRTH-NXEZZACHSA-N 0 3 221.300 2.241 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H]2C)c1 ZINC000816648719 586751645 /nfs/dbraw/zinc/75/16/45/586751645.db2.gz OAZCILCFXPCRTH-NXEZZACHSA-N 0 3 221.300 2.241 20 10 BECDHN COc1ccc(O)c(CN2C[C@@H](C)[C@H]2C)c1 ZINC000816648719 586751647 /nfs/dbraw/zinc/75/16/47/586751647.db2.gz OAZCILCFXPCRTH-NXEZZACHSA-N 0 3 221.300 2.241 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c1[O-] ZINC000817412738 586801602 /nfs/dbraw/zinc/80/16/02/586801602.db2.gz OQNWATWZPYIXPT-WCQYABFASA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c1[O-] ZINC000817412738 586801605 /nfs/dbraw/zinc/80/16/05/586801605.db2.gz OQNWATWZPYIXPT-WCQYABFASA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)C[C@@H](CO)C2)c1 ZINC000817412090 586802078 /nfs/dbraw/zinc/80/20/78/586802078.db2.gz CUOVPQMIPAVMDU-CHWSQXEVSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)C[C@@H](CO)C2)c1 ZINC000817412090 586802079 /nfs/dbraw/zinc/80/20/79/586802079.db2.gz CUOVPQMIPAVMDU-CHWSQXEVSA-N 0 3 249.354 2.151 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817418970 586803259 /nfs/dbraw/zinc/80/32/59/586803259.db2.gz MSBNOZJDGGJSAP-ZDUSSCGKSA-N 0 3 249.354 2.377 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](CCO)CC1 ZINC000817418970 586803260 /nfs/dbraw/zinc/80/32/60/586803260.db2.gz MSBNOZJDGGJSAP-ZDUSSCGKSA-N 0 3 249.354 2.377 20 10 BECDHN CC[C@@H]([NH2+]CCCN)c1cccc(Cl)c1[O-] ZINC000817938309 586844226 /nfs/dbraw/zinc/84/42/26/586844226.db2.gz IQYSIQKKAJFCSN-LLVKDONJSA-N 0 3 242.750 2.435 20 10 BECDHN CC[C@H]([NH2+]C1CCNCC1)c1ccc(C)cc1[O-] ZINC000817937582 586844271 /nfs/dbraw/zinc/84/42/71/586844271.db2.gz XYAFRAPQROUNRJ-AWEZNQCLSA-N 0 3 248.370 2.493 20 10 BECDHN C[C@H](N[C@H]1CC[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817945279 586846628 /nfs/dbraw/zinc/84/66/28/586846628.db2.gz YTEKTCFRKRMPIL-WPRPVWTQSA-N 0 3 240.734 2.058 20 10 BECDHN CC(C)[C@H](N)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817958443 586850715 /nfs/dbraw/zinc/85/07/15/586850715.db2.gz JTJTYJJDPHKKOB-JOYOIKCWSA-N 0 3 240.322 2.165 20 10 BECDHN C[C@H]([NH2+]CC(C)(C)N)c1cc(Cl)ccc1[O-] ZINC000817959665 586852031 /nfs/dbraw/zinc/85/20/31/586852031.db2.gz FUKAWTVVRALAPD-QMMMGPOBSA-N 0 3 242.750 2.434 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H](CN)C2CC2)c([O-])c1C ZINC000817961308 586852709 /nfs/dbraw/zinc/85/27/09/586852709.db2.gz WWXHVOJFGMUKBC-SMDDNHRTSA-N 0 3 248.370 2.397 20 10 BECDHN C[C@H](CN)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817961636 586853459 /nfs/dbraw/zinc/85/34/59/586853459.db2.gz BKVSRVGQBZVQES-BDAKNGLRSA-N 0 3 242.750 2.291 20 10 BECDHN CC[C@H]([NH2+]CC1(N)CCC1)c1ccccc1[O-] ZINC000817964591 586853770 /nfs/dbraw/zinc/85/37/70/586853770.db2.gz FMVIZHYUMZCMGK-LBPRGKRZSA-N 0 3 234.343 2.314 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+][C@H](C)CN)c1[O-] ZINC000817966647 586854785 /nfs/dbraw/zinc/85/47/85/586854785.db2.gz SIKOJCWTLAFYLM-BDAKNGLRSA-N 0 3 242.750 2.352 20 10 BECDHN C[C@@H](CN)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817970060 586856020 /nfs/dbraw/zinc/85/60/20/586856020.db2.gz KMYRDDDYHVFUGD-YUMQZZPRSA-N 0 3 228.723 2.043 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@@H](C)N)c1[O-] ZINC000817973578 586859989 /nfs/dbraw/zinc/85/99/89/586859989.db2.gz VIWKZRKYGRJLAF-BDAKNGLRSA-N 0 3 242.750 2.352 20 10 BECDHN CC[C@@H]([NH2+]C[C@H](C)N)c1cc(Cl)ccc1[O-] ZINC000817973794 586860043 /nfs/dbraw/zinc/86/00/43/586860043.db2.gz WQVCWRPFOAWOEX-GZMMTYOYSA-N 0 3 242.750 2.434 20 10 BECDHN CN(C)c1ccc(/C=C\CN[C@@H]2CCOC2)cc1 ZINC000818237037 586881806 /nfs/dbraw/zinc/88/18/06/586881806.db2.gz XHUVAKBTMAMFTE-VQTKUKTRSA-N 0 3 246.354 2.144 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c([O-])c1C ZINC000818358327 586889007 /nfs/dbraw/zinc/88/90/07/586889007.db2.gz VMWDHBJHTQOTDR-CYZMBNFOSA-N 0 3 235.327 2.183 20 10 BECDHN CC(C(=O)Nc1ccc(N)cc1)C(F)(F)F ZINC000818556223 586900485 /nfs/dbraw/zinc/90/04/85/586900485.db2.gz BOBHLIVQJCOGLK-ZCFIWIBFSA-N 0 3 232.205 2.406 20 10 BECDHN CO[C@@H]1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC000821392199 587115938 /nfs/dbraw/zinc/11/59/38/587115938.db2.gz VSNVAZMJIAPUQZ-CHWSQXEVSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@@H]1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC000821392199 587115939 /nfs/dbraw/zinc/11/59/39/587115939.db2.gz VSNVAZMJIAPUQZ-CHWSQXEVSA-N 0 3 235.327 2.392 20 10 BECDHN Cc1cccc(CN2CC3(CC3)C2)c1O ZINC000824534024 587274704 /nfs/dbraw/zinc/27/47/04/587274704.db2.gz XOTTUMMOCJCBQD-UHFFFAOYSA-N 0 3 203.285 2.296 20 10 BECDHN Cc1cccc(C[NH+]2CC3(CC3)C2)c1[O-] ZINC000824534024 587274705 /nfs/dbraw/zinc/27/47/05/587274705.db2.gz XOTTUMMOCJCBQD-UHFFFAOYSA-N 0 3 203.285 2.296 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H]2C2CC2)c1 ZINC000824649086 587280994 /nfs/dbraw/zinc/28/09/94/587280994.db2.gz BCLQZKODKHJKFZ-CYBMUJFWSA-N 0 3 233.311 2.385 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H]2C2CC2)c1 ZINC000824649086 587280995 /nfs/dbraw/zinc/28/09/95/587280995.db2.gz BCLQZKODKHJKFZ-CYBMUJFWSA-N 0 3 233.311 2.385 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]1C1CC1 ZINC000824649287 587281002 /nfs/dbraw/zinc/28/10/02/587281002.db2.gz CEBFNAZYZMGJOG-LBPRGKRZSA-N 0 3 203.285 2.377 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]1C1CC1 ZINC000824649287 587281003 /nfs/dbraw/zinc/28/10/03/587281003.db2.gz CEBFNAZYZMGJOG-LBPRGKRZSA-N 0 3 203.285 2.377 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824650671 587281098 /nfs/dbraw/zinc/28/10/98/587281098.db2.gz OTMOGWSEPCECRC-GFCCVEGCSA-N 0 3 233.311 2.385 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824650671 587281099 /nfs/dbraw/zinc/28/10/99/587281099.db2.gz OTMOGWSEPCECRC-GFCCVEGCSA-N 0 3 233.311 2.385 20 10 BECDHN CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000824815760 587288719 /nfs/dbraw/zinc/28/87/19/587288719.db2.gz YURFCAQSTNNFKR-SMDDNHRTSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000824815760 587288720 /nfs/dbraw/zinc/28/87/20/587288720.db2.gz YURFCAQSTNNFKR-SMDDNHRTSA-N 0 3 235.327 2.249 20 10 BECDHN CC1(C)CCCN1CC[NH2+]Cc1ccccc1[O-] ZINC000825326007 587315213 /nfs/dbraw/zinc/31/52/13/587315213.db2.gz JNQVMRJMAFNDRG-UHFFFAOYSA-N 0 3 248.370 2.356 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827152686 587371350 /nfs/dbraw/zinc/37/13/50/587371350.db2.gz UTQZOJDPQJVZKV-OAHLLOKOSA-N 0 3 247.338 2.129 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000827152686 587371351 /nfs/dbraw/zinc/37/13/51/587371351.db2.gz UTQZOJDPQJVZKV-OAHLLOKOSA-N 0 3 247.338 2.129 20 10 BECDHN Cc1cc(N(C)C)ccc1CNC1([C@@H](C)O)CC1 ZINC000827585338 587390213 /nfs/dbraw/zinc/39/02/13/587390213.db2.gz GCSAWTBJIQSNMQ-GFCCVEGCSA-N 0 3 248.370 2.064 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C2([C@H](C)O)CC2)cc1C ZINC000827585616 587390531 /nfs/dbraw/zinc/39/05/31/587390531.db2.gz MYNNWYHPPRXYHV-NSHDSACASA-N 0 3 235.327 2.012 20 10 BECDHN CC[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccccc1[O-] ZINC000834916149 587770762 /nfs/dbraw/zinc/77/07/62/587770762.db2.gz VMQNPHJMSUEDAC-YRGRVCCFSA-N 0 3 235.327 2.346 20 10 BECDHN COCCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835025823 587779138 /nfs/dbraw/zinc/77/91/38/587779138.db2.gz NTUYRNGIHJDPQO-AATRIKPKSA-N 0 3 248.370 2.344 20 10 BECDHN COC[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000835034290 587779367 /nfs/dbraw/zinc/77/93/67/587779367.db2.gz SMSVZFOYIDQQQC-SZZPACECSA-N 0 3 248.370 2.390 20 10 BECDHN CCOCCNC/C=C\c1ccc(N(C)C)cc1 ZINC000835041842 587779480 /nfs/dbraw/zinc/77/94/80/587779480.db2.gz AXERSHPNTPMQGY-WAYWQWQTSA-N 0 3 248.370 2.392 20 10 BECDHN CN(C)c1ccc(CNc2nccn2C)cc1 ZINC000840886908 587927950 /nfs/dbraw/zinc/92/79/50/587927950.db2.gz CRMXWAUYGGLJRW-UHFFFAOYSA-N 0 3 230.315 2.098 20 10 BECDHN Cc1cc(O)c(CNc2nccn2C)cc1C ZINC000840887579 587928212 /nfs/dbraw/zinc/92/82/12/587928212.db2.gz LWNORZXYBGRWNC-UHFFFAOYSA-N 0 3 231.299 2.355 20 10 BECDHN Cc1cc(N(C)C)ccc1CNCCF ZINC000840942564 587931387 /nfs/dbraw/zinc/93/13/87/587931387.db2.gz GOASTCSBLOQYEZ-UHFFFAOYSA-N 0 3 210.296 2.120 20 10 BECDHN COCC[C@H](C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000840955761 587931780 /nfs/dbraw/zinc/93/17/80/587931780.db2.gz WPVIKPRUUAAQKV-NSHDSACASA-N 0 3 237.343 2.463 20 10 BECDHN CCCC[C@H](CN)[NH2+]Cc1cccc(F)c1[O-] ZINC000841031367 587936463 /nfs/dbraw/zinc/93/64/63/587936463.db2.gz ZMLHVPZFQLPVKW-LLVKDONJSA-N 0 3 240.322 2.138 20 10 BECDHN CC[NH2+]CCNCc1c([O-])cc(C)cc1Cl ZINC000841037017 587937653 /nfs/dbraw/zinc/93/76/53/587937653.db2.gz XFTMMBFEZUEANU-UHFFFAOYSA-N 0 3 242.750 2.053 20 10 BECDHN C[C@H](CC[NH3+])NCc1c([O-])ccc(Cl)c1F ZINC000841051568 587939921 /nfs/dbraw/zinc/93/99/21/587939921.db2.gz QGDMHWVDCMLNIA-SSDOTTSWSA-N 0 3 246.713 2.012 20 10 BECDHN CC[NH2+][C@H](C)CNCc1cc(Cl)ccc1[O-] ZINC000841064567 587941555 /nfs/dbraw/zinc/94/15/55/587941555.db2.gz CAZJXCAFONKIRR-SECBINFHSA-N 0 3 242.750 2.133 20 10 BECDHN CC[C@@H]([NH3+])CNCc1c([O-])ccc(Cl)c1F ZINC000841073085 587943499 /nfs/dbraw/zinc/94/34/99/587943499.db2.gz VQRACMQYZOOCBL-SSDOTTSWSA-N 0 3 246.713 2.012 20 10 BECDHN CC[C@@H](N)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841073085 587943500 /nfs/dbraw/zinc/94/35/00/587943500.db2.gz VQRACMQYZOOCBL-SSDOTTSWSA-N 0 3 246.713 2.012 20 10 BECDHN Cc1cc(Cl)cc(C[NH2+][C@@H](C)[C@@H](C)N)c1[O-] ZINC000841076924 587943987 /nfs/dbraw/zinc/94/39/87/587943987.db2.gz UANHOJHKKOXEIG-BDAKNGLRSA-N 0 3 242.750 2.179 20 10 BECDHN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1cc(F)ccc1[O-] ZINC000841760088 587974369 /nfs/dbraw/zinc/97/43/69/587974369.db2.gz SUJJVKIQQUUOAZ-GMOODISLSA-N 0 3 239.290 2.095 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1C ZINC000841890366 587981976 /nfs/dbraw/zinc/98/19/76/587981976.db2.gz AGJYNYJTWJUBTJ-XBXGTLAGSA-N 0 3 235.327 2.012 20 10 BECDHN Cc1cc(Cl)cc(CN(C)[C@@H](C)C[NH3+])c1[O-] ZINC000843051084 588076896 /nfs/dbraw/zinc/07/68/96/588076896.db2.gz DZBPMDAEUQPJTJ-VIFPVBQESA-N 0 3 242.750 2.133 20 10 BECDHN CCOCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846141361 588258343 /nfs/dbraw/zinc/25/83/43/588258343.db2.gz NVAJXHCOTIWXKU-JTQLQIEISA-N 0 3 239.315 2.088 20 10 BECDHN CCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846139229 588258493 /nfs/dbraw/zinc/25/84/93/588258493.db2.gz XVOMKMSOVNKMGQ-VIFPVBQESA-N 0 3 209.289 2.461 20 10 BECDHN COc1cccc([C@@H](C)[NH2+]C[C@@H](C)OC)c1[O-] ZINC000846164111 588259056 /nfs/dbraw/zinc/25/90/56/588259056.db2.gz MSZNLWHESNKRGU-NXEZZACHSA-N 0 3 239.315 2.086 20 10 BECDHN COc1cccc([C@@H](C)[NH2+]C[C@H](C)OC)c1[O-] ZINC000846164115 588259100 /nfs/dbraw/zinc/25/91/00/588259100.db2.gz MSZNLWHESNKRGU-VHSXEESVSA-N 0 3 239.315 2.086 20 10 BECDHN CCc1cccc(C[N@H+](C)CC(C)(C)O)c1[O-] ZINC000848887223 588416593 /nfs/dbraw/zinc/41/65/93/588416593.db2.gz QSELIYZNTGZVMM-UHFFFAOYSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)CC(C)(C)O)c1[O-] ZINC000848887223 588416594 /nfs/dbraw/zinc/41/65/94/588416594.db2.gz QSELIYZNTGZVMM-UHFFFAOYSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[NH+]2CCC(C)(O)CC2)c1[O-] ZINC000848886723 588417121 /nfs/dbraw/zinc/41/71/21/588417121.db2.gz HPZKOCJTAPWWMV-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[NH2+][C@](C)(CO)C2CC2)c1[O-] ZINC000848900839 588418320 /nfs/dbraw/zinc/41/83/20/588418320.db2.gz KYJULILYLSNCKA-OAHLLOKOSA-N 0 3 249.354 2.205 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000848906661 588419549 /nfs/dbraw/zinc/41/95/49/588419549.db2.gz XPZRJKIQQGQSCZ-FZMZJTMJSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000848906661 588419550 /nfs/dbraw/zinc/41/95/50/588419550.db2.gz XPZRJKIQQGQSCZ-FZMZJTMJSA-N 0 3 249.354 2.157 20 10 BECDHN C[C@@H]1CCCN(C(=[NH2+])NCc2ccccc2[O-])C1 ZINC000848985025 588425378 /nfs/dbraw/zinc/42/53/78/588425378.db2.gz XOMROVBAZXMOBQ-LLVKDONJSA-N 0 3 247.342 2.148 20 10 BECDHN COC1CC(CC[NH2+]Cc2ccccc2[O-])C1 ZINC000850344076 588537931 /nfs/dbraw/zinc/53/79/31/588537931.db2.gz WGUKATVZGASXMZ-UHFFFAOYSA-N 0 3 235.327 2.297 20 10 BECDHN CC[C@@H](O)C[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000850529123 588557992 /nfs/dbraw/zinc/55/79/92/588557992.db2.gz NNYLMPYHWPXLOQ-VXGBXAGGSA-N 0 3 237.343 2.431 20 10 BECDHN CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(C)cc1[O-] ZINC000850579442 588561295 /nfs/dbraw/zinc/56/12/95/588561295.db2.gz XEJRTFUWSOOCKN-GVXVVHGQSA-N 0 3 235.327 2.265 20 10 BECDHN [O-]c1cc2c(cc1C[NH+](C1CC1)C1CC1)OCO2 ZINC000863305080 589277794 /nfs/dbraw/zinc/27/77/94/589277794.db2.gz UBTYOGRLNYZSKO-UHFFFAOYSA-N 0 3 247.294 2.248 20 10 BECDHN CC[C@@H](C)C[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000205806785 589471523 /nfs/dbraw/zinc/47/15/23/589471523.db2.gz YQDZTTHQNZENKM-DGCLKSJQSA-N 0 3 237.343 2.279 20 10 BECDHN CN(Cc1ccncc1)Cc1ccccc1O ZINC000121139152 589503604 /nfs/dbraw/zinc/50/36/04/589503604.db2.gz LZFJFYRGJALRTN-UHFFFAOYSA-N 0 3 228.295 2.419 20 10 BECDHN Cc1cccc(C[NH2+]C2CCC(O)CC2)c1[O-] ZINC000123514093 589739785 /nfs/dbraw/zinc/73/97/85/589739785.db2.gz XOIMHRWSCLRDJA-UHFFFAOYSA-N 0 3 235.327 2.094 20 10 BECDHN COC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000019904570 590040864 /nfs/dbraw/zinc/04/08/64/590040864.db2.gz RCIMZZPCEAFRNX-ZJUUUORDSA-N 0 3 209.289 2.078 20 10 BECDHN COC[C@@H](C)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019904835 590040893 /nfs/dbraw/zinc/04/08/93/590040893.db2.gz KCAXRGHWDRRXJE-NXEZZACHSA-N 0 3 239.315 2.086 20 10 BECDHN COc1ccc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000020186113 590082324 /nfs/dbraw/zinc/08/23/24/590082324.db2.gz WZFCUPGUVCCKSC-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H]2CCCN(C)C2)c1[O-] ZINC000124811972 590090741 /nfs/dbraw/zinc/09/07/41/590090741.db2.gz NWARMTVKTUWSAM-CYBMUJFWSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1cccc(O)c1CN1C[C@@H](C)O[C@H](C)C1 ZINC000876512323 590205842 /nfs/dbraw/zinc/20/58/42/590205842.db2.gz LNESBUSUQIECAE-VXGBXAGGSA-N 0 3 235.327 2.310 20 10 BECDHN COC1CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876554816 590215173 /nfs/dbraw/zinc/21/51/73/590215173.db2.gz UFLUMUOLHCNQEG-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[NH+]2CCSCC2)c([O-])c1 ZINC000876562240 590215369 /nfs/dbraw/zinc/21/53/69/590215369.db2.gz WXGSPQUWANKLKV-UHFFFAOYSA-N 0 3 223.341 2.249 20 10 BECDHN COCCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876646145 590225730 /nfs/dbraw/zinc/22/57/30/590225730.db2.gz SNOSDZGVOSTJJF-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN COCCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876646145 590225731 /nfs/dbraw/zinc/22/57/31/590225731.db2.gz SNOSDZGVOSTJJF-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN Cc1ccc(CN2CCO[C@@H](C)[C@@H]2C)c(O)c1 ZINC000876739311 590234871 /nfs/dbraw/zinc/23/48/71/590234871.db2.gz OAHLZAXCTZBZJW-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H]2C[C@H](C)O)c([O-])c1 ZINC000876748792 590237556 /nfs/dbraw/zinc/23/75/56/590237556.db2.gz FRMUARPXZOWQFC-GXTWGEPZSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2C[C@H](C)O)c([O-])c1 ZINC000876748792 590237558 /nfs/dbraw/zinc/23/75/58/590237558.db2.gz FRMUARPXZOWQFC-GXTWGEPZSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000876789819 590241628 /nfs/dbraw/zinc/24/16/28/590241628.db2.gz KHBIBFJPCLFWKT-HNNXBMFYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@]2(CCOC2)C1 ZINC000876789819 590241629 /nfs/dbraw/zinc/24/16/29/590241629.db2.gz KHBIBFJPCLFWKT-HNNXBMFYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)N(C)C ZINC000876889488 590254119 /nfs/dbraw/zinc/25/41/19/590254119.db2.gz OITRYNUIIDPHMA-UHFFFAOYSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)c1ccco1 ZINC000876918147 590257434 /nfs/dbraw/zinc/25/74/34/590257434.db2.gz ZCPAJXLUGPKWMA-ZDUSSCGKSA-N 0 3 247.294 2.117 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCCCO2)c([O-])c1 ZINC000876972521 590263096 /nfs/dbraw/zinc/26/30/96/590263096.db2.gz VENRDBUOCBVKCK-CYBMUJFWSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+][C@H](C)CCN(C)C)c([O-])c1 ZINC000876992211 590266067 /nfs/dbraw/zinc/26/60/67/590266067.db2.gz NSIRLIGURLTXPK-GFCCVEGCSA-N 0 3 236.359 2.130 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCC[C@@H]1CCO1 ZINC000876996500 590266852 /nfs/dbraw/zinc/26/68/52/590266852.db2.gz WWVPBICGMVLPSB-GFCCVEGCSA-N 0 3 221.300 2.051 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCC[C@H]1CCO1 ZINC000876996501 590266949 /nfs/dbraw/zinc/26/69/49/590266949.db2.gz WWVPBICGMVLPSB-LBPRGKRZSA-N 0 3 221.300 2.051 20 10 BECDHN CO[C@@H](C)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876997122 590266971 /nfs/dbraw/zinc/26/69/71/590266971.db2.gz ODYFKCLSLLPGPB-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000877019912 590269943 /nfs/dbraw/zinc/26/99/43/590269943.db2.gz IBKYPXHXBOFRGM-GFCCVEGCSA-N 0 3 246.354 2.027 20 10 BECDHN CCC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877028153 590271562 /nfs/dbraw/zinc/27/15/62/590271562.db2.gz ZGKLKBIYVIVQEV-CQSZACIVSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@@H](COC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877056676 590275845 /nfs/dbraw/zinc/27/58/45/590275845.db2.gz MNEONNUCPRBRIF-LBPRGKRZSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000877059336 590276300 /nfs/dbraw/zinc/27/63/00/590276300.db2.gz VGBNURHOUOCTHW-OLZOCXBDSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCSC2)c([O-])c1 ZINC000877071760 590277646 /nfs/dbraw/zinc/27/76/46/590277646.db2.gz BRWMNBHJFDAFLN-LLVKDONJSA-N 0 3 223.341 2.296 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(C)CCCO1 ZINC000877101020 590282889 /nfs/dbraw/zinc/28/28/89/590282889.db2.gz CJUREWNNKGYXJN-AWEZNQCLSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000877118644 590288577 /nfs/dbraw/zinc/28/85/77/590288577.db2.gz IPSXIUJHXPZWKF-NWDGAFQWSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[NH2+]CCN2CCC[C@@H]2C)c([O-])c1 ZINC000877156562 590293277 /nfs/dbraw/zinc/29/32/77/590293277.db2.gz XIWVMOALJCEXDG-ZDUSSCGKSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCN1CC[C@@H](C)C1 ZINC000877154229 590293432 /nfs/dbraw/zinc/29/34/32/590293432.db2.gz NMSZFBHLIISHSN-GFCCVEGCSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1ccc(C[NH2+][C@]2(C)CCO[C@@H]2C)c([O-])c1 ZINC000877306953 590310764 /nfs/dbraw/zinc/31/07/64/590310764.db2.gz BNRKZRVBDXZGAB-BXUZGUMPSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[N@@H+](C)CC2(O)CCC2)c([O-])c1 ZINC000877347099 590319128 /nfs/dbraw/zinc/31/91/28/590319128.db2.gz XOSSSHQPCMLCGG-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+](C)CC2(O)CCC2)c([O-])c1 ZINC000877347099 590319131 /nfs/dbraw/zinc/31/91/31/590319131.db2.gz XOSSSHQPCMLCGG-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@@H]2C)c([O-])c1 ZINC000877407062 590323681 /nfs/dbraw/zinc/32/36/81/590323681.db2.gz MEYWLNFEZYYSJQ-OLZOCXBDSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](C)N(C)C[C@@H]2C)c([O-])c1 ZINC000877407062 590323684 /nfs/dbraw/zinc/32/36/84/590323684.db2.gz MEYWLNFEZYYSJQ-OLZOCXBDSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@@H+]2CCN(C)[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000877409689 590323992 /nfs/dbraw/zinc/32/39/92/590323992.db2.gz XZEXVQYYXKPBCQ-STQMWFEESA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@H+]2CCN(C)[C@@H](C)[C@@H]2C)c([O-])c1 ZINC000877409689 590323995 /nfs/dbraw/zinc/32/39/95/590323995.db2.gz XZEXVQYYXKPBCQ-STQMWFEESA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCC[C@H]2CCO)c([O-])c1 ZINC000877442708 590328664 /nfs/dbraw/zinc/32/86/64/590328664.db2.gz UMGOPILYNAPGOH-JSGCOSHPSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC[C@H]1CCO ZINC000877442399 590328764 /nfs/dbraw/zinc/32/87/64/590328764.db2.gz GZFYLHAAZPTXSQ-JSGCOSHPSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CC1(N(C)C)CCC1 ZINC000877461865 590332274 /nfs/dbraw/zinc/33/22/74/590332274.db2.gz LHFFRYOSJKHPPM-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](CO)C(C)(C)C)c([O-])c1 ZINC000877480632 590337437 /nfs/dbraw/zinc/33/74/37/590337437.db2.gz BIXIKNSCJYHHDW-ZDUSSCGKSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](CO)CC2CCC2)c([O-])c1 ZINC000877491399 590340334 /nfs/dbraw/zinc/34/03/34/590340334.db2.gz RNLLENGPPNUAFG-CQSZACIVSA-N 0 3 249.354 2.341 20 10 BECDHN CC[N@H+](Cc1c(C)cccc1[O-])[C@H]1CCOC1 ZINC000877543503 590351688 /nfs/dbraw/zinc/35/16/88/590351688.db2.gz CLFRYOCGJUVLGG-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN CC[N@@H+](Cc1c(C)cccc1[O-])[C@H]1CCOC1 ZINC000877543503 590351689 /nfs/dbraw/zinc/35/16/89/590351689.db2.gz CLFRYOCGJUVLGG-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN CC[N@H+](Cc1ccc(C)cc1[O-])[C@H]1CCOC1 ZINC000877544716 590352884 /nfs/dbraw/zinc/35/28/84/590352884.db2.gz VAOZUBWTOXYTKT-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CC[N@@H+](Cc1ccc(C)cc1[O-])[C@H]1CCOC1 ZINC000877544716 590352887 /nfs/dbraw/zinc/35/28/87/590352887.db2.gz VAOZUBWTOXYTKT-ZDUSSCGKSA-N 0 3 235.327 2.311 20 10 BECDHN CC[N@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCOC1 ZINC000877544715 590352907 /nfs/dbraw/zinc/35/29/07/590352907.db2.gz VAOZUBWTOXYTKT-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN CC[N@@H+](Cc1ccc(C)cc1[O-])[C@@H]1CCOC1 ZINC000877544715 590352908 /nfs/dbraw/zinc/35/29/08/590352908.db2.gz VAOZUBWTOXYTKT-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[NH2+]C[C@]2(O)CCC[C@@H]2C)c([O-])c1 ZINC000877553288 590354973 /nfs/dbraw/zinc/35/49/73/590354973.db2.gz MUJFARXLEFSBPU-SWLSCSKDSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CCCCO ZINC000877561015 590359794 /nfs/dbraw/zinc/35/97/94/590359794.db2.gz BEHBRHDEMLPVCX-LBPRGKRZSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877562428 590360202 /nfs/dbraw/zinc/36/02/02/590360202.db2.gz ZVUFAAOPNXCOGQ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1c(C)cccc1[O-] ZINC000877562428 590360203 /nfs/dbraw/zinc/36/02/03/590360203.db2.gz ZVUFAAOPNXCOGQ-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CC(C)(C)O ZINC000877563691 590360871 /nfs/dbraw/zinc/36/08/71/590360871.db2.gz RAOGCZYJNRIRMA-LLVKDONJSA-N 0 3 237.343 2.340 20 10 BECDHN Cc1ccc(C[NH+]2CC3(C2)CCOCC3)c([O-])c1 ZINC000877581288 590365617 /nfs/dbraw/zinc/36/56/17/590365617.db2.gz VBEOXTWRUXQVOC-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN COCC[C@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877587178 590367390 /nfs/dbraw/zinc/36/73/90/590367390.db2.gz HIGNSRSMVLUBRY-NSHDSACASA-N 0 3 237.343 2.463 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC000877596555 590370060 /nfs/dbraw/zinc/37/00/60/590370060.db2.gz UGJZDGFIVRTVET-YPMHNXCESA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c([O-])c1 ZINC000877596555 590370062 /nfs/dbraw/zinc/37/00/62/590370062.db2.gz UGJZDGFIVRTVET-YPMHNXCESA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000877630262 590378262 /nfs/dbraw/zinc/37/82/62/590378262.db2.gz DIETUYGUNXPHOB-DOMZBBRYSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000877630262 590378264 /nfs/dbraw/zinc/37/82/64/590378264.db2.gz DIETUYGUNXPHOB-DOMZBBRYSA-N 0 3 247.338 2.169 20 10 BECDHN CCCN1CC[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877636500 590380683 /nfs/dbraw/zinc/38/06/83/590380683.db2.gz YXOQOJGJSKUGSE-AWEZNQCLSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000877640351 590381677 /nfs/dbraw/zinc/38/16/77/590381677.db2.gz LWYXVAKGJVAYEV-IUODEOHRSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000877640351 590381679 /nfs/dbraw/zinc/38/16/79/590381679.db2.gz LWYXVAKGJVAYEV-IUODEOHRSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000877637463 590382136 /nfs/dbraw/zinc/38/21/36/590382136.db2.gz ILDOCCFIJZSDMB-CHWSQXEVSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000877637463 590382138 /nfs/dbraw/zinc/38/21/38/590382138.db2.gz ILDOCCFIJZSDMB-CHWSQXEVSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)c([O-])c1 ZINC000877681286 590390603 /nfs/dbraw/zinc/39/06/03/590390603.db2.gz FXVMSSRAVDBKDV-GMXVVIOVSA-N 0 3 235.327 2.356 20 10 BECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccnn1C ZINC000877762148 590419208 /nfs/dbraw/zinc/41/92/08/590419208.db2.gz AIMDHVMFIVSBRJ-VIFPVBQESA-N 0 3 249.289 2.116 20 10 BECDHN Cc1cccc(CN[C@H](C)c2ccnn2C)c1O ZINC000877763222 590419323 /nfs/dbraw/zinc/41/93/23/590419323.db2.gz RBHSHOHUKXWITQ-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])c1ccnn1C ZINC000877762143 590419408 /nfs/dbraw/zinc/41/94/08/590419408.db2.gz AIMDHVMFIVSBRJ-SECBINFHSA-N 0 3 249.289 2.116 20 10 BECDHN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1c(C)cccc1[O-] ZINC000877779154 590422746 /nfs/dbraw/zinc/42/27/46/590422746.db2.gz ZRJCDRFCURYDAF-NEPJUHHUSA-N 0 3 237.343 2.340 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@@H](C(C)(C)O)C2)c1[O-] ZINC000877836401 590431125 /nfs/dbraw/zinc/43/11/25/590431125.db2.gz WIVOUSCZXMTXBH-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@@H](C(C)(C)O)C2)c1[O-] ZINC000877836401 590431127 /nfs/dbraw/zinc/43/11/27/590431127.db2.gz WIVOUSCZXMTXBH-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Nc1ccc(CCNCc2cncs2)cc1 ZINC000131583695 591624436 /nfs/dbraw/zinc/62/44/36/591624436.db2.gz VGMPPGKHNPXACV-UHFFFAOYSA-N 0 3 233.340 2.058 20 10 BECDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCF)c1 ZINC000132111380 591687649 /nfs/dbraw/zinc/68/76/49/591687649.db2.gz GBQHPHZZLLPNID-SECBINFHSA-N 0 3 227.279 2.411 20 10 BECDHN CCC[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000132580355 591721048 /nfs/dbraw/zinc/72/10/48/591721048.db2.gz WDGOKHFZFLNUHH-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN CCC[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000132580355 591721051 /nfs/dbraw/zinc/72/10/51/591721051.db2.gz WDGOKHFZFLNUHH-UHFFFAOYSA-N 0 3 209.289 2.243 20 10 BECDHN Oc1cc2c(cc1CNCc1ccoc1)OCO2 ZINC000134227227 591903774 /nfs/dbraw/zinc/90/37/74/591903774.db2.gz ARKITTXTLSHOIF-UHFFFAOYSA-N 0 3 247.250 2.004 20 10 BECDHN COCC[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000134906232 591957620 /nfs/dbraw/zinc/95/76/20/591957620.db2.gz IMLTWZVZMRUTHT-NSHDSACASA-N 0 3 223.316 2.306 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC2(CCC2)CO1 ZINC000886289593 592201709 /nfs/dbraw/zinc/20/17/09/592201709.db2.gz YUNFFUNEISCTEH-ZDUSSCGKSA-N 0 3 247.338 2.441 20 10 BECDHN C[C@H]([NH2+]C[C@H]1C[C@]12CCOC2)c1ccccc1[O-] ZINC000886310284 592204997 /nfs/dbraw/zinc/20/49/97/592204997.db2.gz IKPMUSSJLXFZMN-ZOWXZIJZSA-N 0 3 247.338 2.469 20 10 BECDHN C[C@@H]1SCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000220662537 592321518 /nfs/dbraw/zinc/32/15/18/592321518.db2.gz OOZOOQMOHXPQKB-GXSJLCMTSA-N 0 3 223.341 2.376 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCO[C@H]1C)c1ccccc1[O-] ZINC000300613727 592516136 /nfs/dbraw/zinc/51/61/36/592516136.db2.gz STVLIJJLGWFINX-SRVKXCTJSA-N 0 3 235.327 2.468 20 10 BECDHN CC(C)C[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000223660258 592537818 /nfs/dbraw/zinc/53/78/18/592537818.db2.gz OKWOUWRPLFZERB-NEPJUHHUSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H]([NH2+][C@@H]1COCC1(C)C)c1ccccc1[O-] ZINC000313031858 634439013 /nfs/dbraw/zinc/43/90/13/634439013.db2.gz ZCNCJANKLNEUHZ-GXFFZTMASA-N 0 3 235.327 2.468 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCc1cscn1 ZINC000082626177 631408365 /nfs/dbraw/zinc/40/83/65/631408365.db2.gz GHBSFDJKXMQRRC-UHFFFAOYSA-N 0 3 234.324 2.181 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000310115245 632702950 /nfs/dbraw/zinc/70/29/50/632702950.db2.gz CAOUWIFCOCKGKE-YPMHNXCESA-N 0 3 235.327 2.033 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@H](C)CO)c1[O-] ZINC000309367916 632981930 /nfs/dbraw/zinc/98/19/30/632981930.db2.gz BMSMKTYYNNMPJZ-RKDXNWHRSA-N 0 3 243.734 2.385 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@H]1CCOC1)CC2 ZINC000311106695 633068445 /nfs/dbraw/zinc/06/84/45/633068445.db2.gz VLMGSBRLZJDITP-AAEUAGOBSA-N 0 3 247.338 2.396 20 10 BECDHN COC[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000309513357 633940103 /nfs/dbraw/zinc/94/01/03/633940103.db2.gz QKFGZDNODWWBSG-KOLCDFICSA-N 0 3 221.300 2.004 20 10 BECDHN CC[C@H](C)[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000304065301 636320033 /nfs/dbraw/zinc/32/00/33/636320033.db2.gz SVJPLIPCBCATKU-FZMZJTMJSA-N 0 3 237.343 2.279 20 10 BECDHN [O-]c1ccccc1C[N@@H+](CCCCO)C1CC1 ZINC000305741988 636329718 /nfs/dbraw/zinc/32/97/18/636329718.db2.gz GSFGFDWVICZTLC-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN [O-]c1ccccc1C[N@H+](CCCCO)C1CC1 ZINC000305741988 636329722 /nfs/dbraw/zinc/32/97/22/636329722.db2.gz GSFGFDWVICZTLC-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163983540 640434976 /nfs/dbraw/zinc/43/49/76/640434976.db2.gz WVJFVIWUEUQJGQ-QWRGUYRKSA-N 0 3 223.316 2.204 20 10 BECDHN CC1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000226613632 640780280 /nfs/dbraw/zinc/78/02/80/640780280.db2.gz DSPLLQQTTAPZDM-UHFFFAOYSA-N 0 3 209.264 2.421 20 10 BECDHN CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000158220136 640825284 /nfs/dbraw/zinc/82/52/84/640825284.db2.gz CZYJPRIKNSJMRC-STQMWFEESA-N 0 3 235.327 2.439 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCS1 ZINC000087473086 640898334 /nfs/dbraw/zinc/89/83/34/640898334.db2.gz BZMVQFIQWRHESU-NSHDSACASA-N 0 3 223.341 2.377 20 10 BECDHN CC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000229964504 640998682 /nfs/dbraw/zinc/99/86/82/640998682.db2.gz XMKBIQPBYDDCBZ-WDEREUQCSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000230392237 641049092 /nfs/dbraw/zinc/04/90/92/641049092.db2.gz HKJGKNWXENXBML-ZANVPECISA-N 0 3 239.290 2.188 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1ccsc1 ZINC000152539222 641612114 /nfs/dbraw/zinc/61/21/14/641612114.db2.gz AUFYRLCUWPBJAP-ZDUSSCGKSA-N 0 3 249.335 2.277 20 10 BECDHN CN(Cc1ccnc(N)c1)Cc1ccccc1O ZINC000191571794 641930365 /nfs/dbraw/zinc/93/03/65/641930365.db2.gz LPHFIGNAESZABG-UHFFFAOYSA-N 0 3 243.310 2.001 20 10 BECDHN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCCO1 ZINC000180840527 642818594 /nfs/dbraw/zinc/81/85/94/642818594.db2.gz ULPYRLRBLIIOTK-ZDUSSCGKSA-N 0 3 239.290 2.190 20 10 BECDHN CC1(C)CC[C@@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000184768865 643236214 /nfs/dbraw/zinc/23/62/14/643236214.db2.gz DLIHTLMKPBJJSA-LBPRGKRZSA-N 0 3 235.327 2.439 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCOC2)c([O-])c1 ZINC000087783677 644503454 /nfs/dbraw/zinc/50/34/54/644503454.db2.gz NBJRXGYVCXZMRS-MNOVXSKESA-N 0 3 221.300 2.140 20 10 BECDHN C[N@H+](CCCF)Cc1cc(F)ccc1[O-] ZINC000716631662 712568049 /nfs/dbraw/zinc/56/80/49/712568049.db2.gz YCRBYUQQYNCNAI-UHFFFAOYSA-N 0 3 215.243 2.323 20 10 BECDHN C[N@@H+](CCCF)Cc1cc(F)ccc1[O-] ZINC000716631662 712568050 /nfs/dbraw/zinc/56/80/50/712568050.db2.gz YCRBYUQQYNCNAI-UHFFFAOYSA-N 0 3 215.243 2.323 20 10 BECDHN CC[C@H](C[C@H](C)O)[NH2+]Cc1ccccc1[O-] ZINC000716955665 712599939 /nfs/dbraw/zinc/59/99/39/712599939.db2.gz QVKDUJYLKNGQHN-CMPLNLGQSA-N 0 3 223.316 2.031 20 10 BECDHN Cc1cc(Cl)cc([C@H](C)[NH2+]C[C@H](C)O)c1[O-] ZINC000381566120 710657411 /nfs/dbraw/zinc/65/74/11/710657411.db2.gz ULKAHHXZIBFAPY-IUCAKERBSA-N 0 3 243.734 2.385 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](C)O ZINC000386945755 711039387 /nfs/dbraw/zinc/03/93/87/711039387.db2.gz WNWXRDPQXKLVDF-AUTRQRHGSA-N 0 3 241.306 2.341 20 10 BECDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCOC1 ZINC000388523724 711062379 /nfs/dbraw/zinc/06/23/79/711062379.db2.gz XTJUUJWRIZMWCT-WCQYABFASA-N 0 3 235.327 2.297 20 10 BECDHN Cc1cnn(C)c1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000394072229 711183944 /nfs/dbraw/zinc/18/39/44/711183944.db2.gz TYYRAYNLMDHCCM-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN COC[C@@H](C[NH2+]Cc1ccccc1[O-])C(C)C ZINC000721985906 710696399 /nfs/dbraw/zinc/69/63/99/710696399.db2.gz LSAUQBYSDKGOEN-CYBMUJFWSA-N 0 3 237.343 2.400 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H](C)O1 ZINC000385120442 711665296 /nfs/dbraw/zinc/66/52/96/711665296.db2.gz KASZETQPVKYOTK-VDDIYKPWSA-N 0 3 239.290 2.187 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])[C@H](C)O1 ZINC000385120441 711665301 /nfs/dbraw/zinc/66/53/01/711665301.db2.gz KASZETQPVKYOTK-PTRXPTGYSA-N 0 3 239.290 2.187 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(C)(C)O ZINC000393971764 711759000 /nfs/dbraw/zinc/75/90/00/711759000.db2.gz OAQGMEQHSHBUDO-MWLCHTKSSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000701511521 712024754 /nfs/dbraw/zinc/02/47/54/712024754.db2.gz JVRPZALHVGXULD-AAEUAGOBSA-N 0 3 235.327 2.439 20 10 BECDHN C[C@H]([NH2+][C@@H](C)C1(CO)CC1)c1ccccc1[O-] ZINC000710185115 712247682 /nfs/dbraw/zinc/24/76/82/712247682.db2.gz OJPVBZUUCAWHRK-QWRGUYRKSA-N 0 3 235.327 2.204 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C=CCC1 ZINC000711657566 712315077 /nfs/dbraw/zinc/31/50/77/712315077.db2.gz XBSGABBOKFMZGO-LLVKDONJSA-N 0 3 203.285 2.448 20 10 BECDHN C[C@H]([NH2+]CCc1cn[nH]c1)c1cc(F)ccc1[O-] ZINC000379589849 712389646 /nfs/dbraw/zinc/38/96/46/712389646.db2.gz SDPJSRFOHXJCIN-VIFPVBQESA-N 0 3 249.289 2.148 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccccc1[O-] ZINC000712586929 712434600 /nfs/dbraw/zinc/43/46/00/712434600.db2.gz PQDPYUACBDYVPF-WCQYABFASA-N 0 3 234.343 2.137 20 10 BECDHN C[C@H]([NH2+]CCOC1CC1)c1ccccc1[O-] ZINC000714976116 712503063 /nfs/dbraw/zinc/50/30/63/712503063.db2.gz UHNNVWUOXYALAD-JTQLQIEISA-N 0 3 221.300 2.222 20 10 BECDHN Cc1c[nH]nc1CNCc1cc(C)ccc1O ZINC000716480864 712565407 /nfs/dbraw/zinc/56/54/07/712565407.db2.gz BRLWHQMVRSUOGC-UHFFFAOYSA-N 0 3 231.299 2.022 20 10 BECDHN C[C@H]1CSC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000379897856 712621844 /nfs/dbraw/zinc/62/18/44/712621844.db2.gz HJIDGGQIBDQXAC-ONGXEEELSA-N 0 3 223.341 2.233 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)CCCCCO ZINC000877484652 712631219 /nfs/dbraw/zinc/63/12/19/712631219.db2.gz FFRJMPKGRLJSKK-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)CCCCCO ZINC000877484652 712631221 /nfs/dbraw/zinc/63/12/21/712631221.db2.gz FFRJMPKGRLJSKK-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN C[C@@H]([NH2+][C@H](CO)CC(F)F)c1ccccc1[O-] ZINC000717825466 712682078 /nfs/dbraw/zinc/68/20/78/712682078.db2.gz PJDLZUCABYPQNO-BDAKNGLRSA-N 0 3 245.269 2.059 20 10 BECDHN COc1ncccc1CNCc1ccccc1O ZINC000037650489 712734083 /nfs/dbraw/zinc/73/40/83/712734083.db2.gz RXJUPCMGRDOJQP-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN CO[C@@]1(C)C[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000694362183 959840768 /nfs/dbraw/zinc/84/07/68/959840768.db2.gz MXOPRVCEZSXXRC-CKLFPEKLSA-N 0 3 239.290 2.359 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC1SCCS1 ZINC000692888217 961179936 /nfs/dbraw/zinc/17/99/36/961179936.db2.gz IYXFUQPQHUSRTJ-UHFFFAOYSA-N 0 3 241.381 2.288 20 10 BECDHN COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC000133007492 1166159161 /nfs/dbraw/zinc/15/91/61/1166159161.db2.gz ZDKPBXRNBDIASB-CMPLNLGQSA-N 0 3 233.311 2.385 20 10 BECDHN COc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2C3)c([O-])c1 ZINC000133007492 1166159165 /nfs/dbraw/zinc/15/91/65/1166159165.db2.gz ZDKPBXRNBDIASB-CMPLNLGQSA-N 0 3 233.311 2.385 20 10 BECDHN CCCCC[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC001253549196 969222254 /nfs/dbraw/zinc/22/22/54/969222254.db2.gz OJGPHDYJJJNQAR-ZDUSSCGKSA-N 0 3 237.343 2.423 20 10 BECDHN Cc1ccncc1C[NH2+]Cc1ccccc1[O-] ZINC000158701858 1166516936 /nfs/dbraw/zinc/51/69/36/1166516936.db2.gz REGPGFRRLIOTOM-UHFFFAOYSA-N 0 3 228.295 2.385 20 10 BECDHN CC(C)(CF)[NH2+]Cc1cc(F)ccc1[O-] ZINC000309004962 1167236674 /nfs/dbraw/zinc/23/66/74/1167236674.db2.gz PKDJCPGWDCIORQ-UHFFFAOYSA-N 0 3 215.243 2.369 20 10 BECDHN COCC[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000383832781 1169251968 /nfs/dbraw/zinc/25/19/68/1169251968.db2.gz JDOWTWAVYNOUEW-JQWIXIFHSA-N 0 3 235.327 2.394 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000402685825 970831557 /nfs/dbraw/zinc/83/15/57/970831557.db2.gz KAFYYTFKVKGDKF-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCCOC1 ZINC000402685825 970831567 /nfs/dbraw/zinc/83/15/67/970831567.db2.gz KAFYYTFKVKGDKF-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCCOCC1 ZINC001170831629 971950475 /nfs/dbraw/zinc/95/04/75/971950475.db2.gz QWVLOCLXRGMQPN-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCCOCC1 ZINC001170831629 971950479 /nfs/dbraw/zinc/95/04/79/971950479.db2.gz QWVLOCLXRGMQPN-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN Cn1ccc2ncc(C3=CCCN(C)C3)cc21 ZINC001241571412 1169733536 /nfs/dbraw/zinc/73/35/36/1169733536.db2.gz YNZVISLCDYASTF-UHFFFAOYSA-N 0 3 227.311 2.292 20 10 BECDHN C[C@@H]([NH2+][C@H]1CO[C@H](C)C1)c1cc(F)ccc1[O-] ZINC000402134045 957056632 /nfs/dbraw/zinc/05/66/32/957056632.db2.gz IBSXDOKOMGCSLT-FXPVBKGRSA-N 0 3 239.290 2.359 20 10 BECDHN Cc1ccc(O)c(CN2C[C@@H](C)[C@@H](F)C2)c1 ZINC001140617451 960462771 /nfs/dbraw/zinc/46/27/71/960462771.db2.gz OMWXJPCOUPUCOK-PWSUYJOCSA-N 0 3 223.291 2.490 20 10 BECDHN Cc1ccc(O)c(CN2CCCC23COC3)c1 ZINC001140621124 960465899 /nfs/dbraw/zinc/46/58/99/960465899.db2.gz PXRPIEGSUKSFHY-UHFFFAOYSA-N 0 3 233.311 2.065 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCC[C@](C)(O)C2)c([O-])c1 ZINC001140947912 960740163 /nfs/dbraw/zinc/74/01/63/960740163.db2.gz LHEKDGNQAXGDQH-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+]2CCCC[C@](C)(O)C2)c([O-])c1 ZINC001140947912 960740177 /nfs/dbraw/zinc/74/01/77/960740177.db2.gz LHEKDGNQAXGDQH-HNNXBMFYSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c([O-])c1 ZINC001140947933 960740739 /nfs/dbraw/zinc/74/07/39/960740739.db2.gz LXRNHHGCRNXRTG-DOMZBBRYSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H]3CCO[C@H]3C2)c([O-])c1 ZINC001140947933 960740758 /nfs/dbraw/zinc/74/07/58/960740758.db2.gz LXRNHHGCRNXRTG-DOMZBBRYSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](CO)CC[C@@H]2C)c([O-])c1 ZINC001140948121 960744119 /nfs/dbraw/zinc/74/41/19/960744119.db2.gz UFCIKYILMHABIK-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](CO)CC[C@@H]2C)c([O-])c1 ZINC001140948121 960744134 /nfs/dbraw/zinc/74/41/34/960744134.db2.gz UFCIKYILMHABIK-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](CO)CC[C@@H]2C)c([O-])c1 ZINC001140948120 960749104 /nfs/dbraw/zinc/74/91/04/960749104.db2.gz UFCIKYILMHABIK-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](CO)CC[C@@H]2C)c([O-])c1 ZINC001140948120 960749114 /nfs/dbraw/zinc/74/91/14/960749114.db2.gz UFCIKYILMHABIK-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN CCO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957761 960754362 /nfs/dbraw/zinc/75/43/62/960754362.db2.gz NBGWDMZMNKHSBU-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN CCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC001140957761 960754374 /nfs/dbraw/zinc/75/43/74/960754374.db2.gz NBGWDMZMNKHSBU-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN CSCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001140954094 960755059 /nfs/dbraw/zinc/75/50/59/960755059.db2.gz LJOBXKCYMSCRFW-UHFFFAOYSA-N 0 3 225.357 2.495 20 10 BECDHN CSCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001140954094 960755084 /nfs/dbraw/zinc/75/50/84/960755084.db2.gz LJOBXKCYMSCRFW-UHFFFAOYSA-N 0 3 225.357 2.495 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c([O-])c1 ZINC001140957762 960756933 /nfs/dbraw/zinc/75/69/33/960756933.db2.gz NDAPAOZENPIHOO-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@]23CCOC3)c([O-])c1 ZINC001140957762 960756945 /nfs/dbraw/zinc/75/69/45/960756945.db2.gz NDAPAOZENPIHOO-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001140950986 960762152 /nfs/dbraw/zinc/76/21/52/960762152.db2.gz RWZPTAAQGVIMHV-DGCLKSJQSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001140950986 960762171 /nfs/dbraw/zinc/76/21/71/960762171.db2.gz RWZPTAAQGVIMHV-DGCLKSJQSA-N 0 3 235.327 2.046 20 10 BECDHN CCN(Cc1cn[nH]c1)Cc1ccccc1O ZINC001203097099 960880979 /nfs/dbraw/zinc/88/09/79/960880979.db2.gz XGQHDSFPBRGUGO-UHFFFAOYSA-N 0 3 231.299 2.137 20 10 BECDHN C[C@@H]1C[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CCO1 ZINC001168137191 963835320 /nfs/dbraw/zinc/83/53/20/963835320.db2.gz NLRXHBYLRYISJI-DGCLKSJQSA-N 0 3 247.338 2.318 20 10 BECDHN C[C@@H]1C[C@H]([N@H+]2CCc3cccc([O-])c3C2)CCO1 ZINC001168137191 963835325 /nfs/dbraw/zinc/83/53/25/963835325.db2.gz NLRXHBYLRYISJI-DGCLKSJQSA-N 0 3 247.338 2.318 20 10 BECDHN C[C@H]1C[C@H]([N@@H+]2CCc3cccc([O-])c3C2)CCO1 ZINC001168137197 963836013 /nfs/dbraw/zinc/83/60/13/963836013.db2.gz NLRXHBYLRYISJI-WCQYABFASA-N 0 3 247.338 2.318 20 10 BECDHN C[C@H]1C[C@H]([N@H+]2CCc3cccc([O-])c3C2)CCO1 ZINC001168137197 963836017 /nfs/dbraw/zinc/83/60/17/963836017.db2.gz NLRXHBYLRYISJI-WCQYABFASA-N 0 3 247.338 2.318 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCN(C)C2)c([O-])c1 ZINC000042545124 964828581 /nfs/dbraw/zinc/82/85/81/964828581.db2.gz AQDJKZBSGSBENA-NEPJUHHUSA-N 0 3 234.343 2.055 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C=CCC1 ZINC000698207389 965104829 /nfs/dbraw/zinc/10/48/29/965104829.db2.gz XJLMWRGJWBBJDS-LLVKDONJSA-N 0 3 207.248 2.340 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C=CCC1 ZINC000698207391 965107801 /nfs/dbraw/zinc/10/78/01/965107801.db2.gz XJLMWRGJWBBJDS-NSHDSACASA-N 0 3 207.248 2.340 20 10 BECDHN C[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000699773174 966084914 /nfs/dbraw/zinc/08/49/14/966084914.db2.gz GBBZOVUWLIHJKY-ADEWGFFLSA-N 0 3 233.311 2.004 20 10 BECDHN Cc1nccnc1CN[C@@H](C)c1ccccc1O ZINC000699949091 966259845 /nfs/dbraw/zinc/25/98/45/966259845.db2.gz ZTQWMCAJOZKNIU-JTQLQIEISA-N 0 3 243.310 2.341 20 10 BECDHN CCc1ccc(C[N@@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001236783713 966533888 /nfs/dbraw/zinc/53/38/88/966533888.db2.gz OKYANYSYBJLLPM-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@H+]2CCCC[C@H]2CO)c([O-])c1 ZINC001236783713 966533900 /nfs/dbraw/zinc/53/39/00/966533900.db2.gz OKYANYSYBJLLPM-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC001236784755 966534036 /nfs/dbraw/zinc/53/40/36/966534036.db2.gz ZSOPPUHBAJEFTI-ZDUSSCGKSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1ccc(C[N@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC001236784755 966534046 /nfs/dbraw/zinc/53/40/46/966534046.db2.gz ZSOPPUHBAJEFTI-ZDUSSCGKSA-N 0 3 249.354 2.159 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](CO)CC[C@@H]1C ZINC001237485409 966663694 /nfs/dbraw/zinc/66/36/94/966663694.db2.gz OYJDIYOHJONIMU-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](CO)CC[C@@H]1C ZINC001237485409 966663700 /nfs/dbraw/zinc/66/37/00/966663700.db2.gz OYJDIYOHJONIMU-STQMWFEESA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](CO)CC[C@H]1C ZINC001237485377 966664334 /nfs/dbraw/zinc/66/43/34/966664334.db2.gz OYJDIYOHJONIMU-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](CO)CC[C@H]1C ZINC001237485377 966664347 /nfs/dbraw/zinc/66/43/47/966664347.db2.gz OYJDIYOHJONIMU-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN CC1(C)C[N@H+](Cc2ccccc2[O-])[C@@](C)(CO)C1 ZINC001203550157 966685334 /nfs/dbraw/zinc/68/53/34/966685334.db2.gz KHZWXRYAYIQBDT-OAHLLOKOSA-N 0 3 249.354 2.375 20 10 BECDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])[C@@](C)(CO)C1 ZINC001203550157 966685355 /nfs/dbraw/zinc/68/53/55/966685355.db2.gz KHZWXRYAYIQBDT-OAHLLOKOSA-N 0 3 249.354 2.375 20 10 BECDHN CC(=O)[C@H]1CCCCN1Cc1ccccc1O ZINC001203558463 966689315 /nfs/dbraw/zinc/68/93/15/966689315.db2.gz IAINNNLQDZMWNU-CYBMUJFWSA-N 0 3 233.311 2.336 20 10 BECDHN CC[N@H+](CCn1cccn1)Cc1ccccc1[O-] ZINC001203558675 966691535 /nfs/dbraw/zinc/69/15/35/966691535.db2.gz UPLNUUPNNXUQCF-UHFFFAOYSA-N 0 3 245.326 2.111 20 10 BECDHN CC[N@@H+](CCn1cccn1)Cc1ccccc1[O-] ZINC001203558675 966691543 /nfs/dbraw/zinc/69/15/43/966691543.db2.gz UPLNUUPNNXUQCF-UHFFFAOYSA-N 0 3 245.326 2.111 20 10 BECDHN COc1cccc(CN2CC3(CCC3)C2)c1O ZINC001203588994 966700915 /nfs/dbraw/zinc/70/09/15/966700915.db2.gz ADMJRWFWXBBKLG-UHFFFAOYSA-N 0 3 233.311 2.387 20 10 BECDHN C[C@@H]1CCCCN1Cc1ccc(O)c(O)c1 ZINC001203873565 966803336 /nfs/dbraw/zinc/80/33/36/966803336.db2.gz GALBAXDXZQRURP-SNVBAGLBSA-N 0 3 221.300 2.472 20 10 BECDHN Oc1ccc(CN2CCC[C@H](CF)C2)cc1O ZINC001203880433 966810111 /nfs/dbraw/zinc/81/01/11/966810111.db2.gz AUELHOVMSHCDLV-LLVKDONJSA-N 0 3 239.290 2.279 20 10 BECDHN CN(C)c1ccc(CN2CC[C@@]23CCOC3)cc1 ZINC001203937433 966825331 /nfs/dbraw/zinc/82/53/31/966825331.db2.gz QONJTCWBJRFLAZ-HNNXBMFYSA-N 0 3 246.354 2.117 20 10 BECDHN CC[C@H](C)[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204273551 966954348 /nfs/dbraw/zinc/95/43/48/966954348.db2.gz REKDJVLHSPGNGN-VIFPVBQESA-N 0 3 209.289 2.328 20 10 BECDHN CC[C@H](C)[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204273551 966954354 /nfs/dbraw/zinc/95/43/54/966954354.db2.gz REKDJVLHSPGNGN-VIFPVBQESA-N 0 3 209.289 2.328 20 10 BECDHN C[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204272216 966955930 /nfs/dbraw/zinc/95/59/30/966955930.db2.gz JWWPZRNSVTXMJF-SNVBAGLBSA-N 0 3 221.300 2.472 20 10 BECDHN C[C@@H]1CCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204272216 966955934 /nfs/dbraw/zinc/95/59/34/966955934.db2.gz JWWPZRNSVTXMJF-SNVBAGLBSA-N 0 3 221.300 2.472 20 10 BECDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CC2)CC1 ZINC001204276748 966958560 /nfs/dbraw/zinc/95/85/60/966958560.db2.gz PYFARLFAECEQEY-UHFFFAOYSA-N 0 3 233.311 2.474 20 10 BECDHN COc1cc(CN2CCC[C@@H]2C)cc(O)c1O ZINC001204340294 966974170 /nfs/dbraw/zinc/97/41/70/966974170.db2.gz KTMBLSIUEPKKTA-VIFPVBQESA-N 0 3 237.299 2.091 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1CCCOC1)CC2 ZINC001207471335 968790248 /nfs/dbraw/zinc/79/02/48/968790248.db2.gz GBZFNXHBDLPBEM-LBPRGKRZSA-N 0 3 247.338 2.177 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1CCCOC1)CC2 ZINC001207471335 968790256 /nfs/dbraw/zinc/79/02/56/968790256.db2.gz GBZFNXHBDLPBEM-LBPRGKRZSA-N 0 3 247.338 2.177 20 10 BECDHN C[C@H]1C[C@@H]1C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209434346 969508871 /nfs/dbraw/zinc/50/88/71/969508871.db2.gz YBIGTXODZKBKGT-CMPLNLGQSA-N 0 3 217.312 2.406 20 10 BECDHN C[C@H]1C[C@@H]1C[N@H+]1CCc2cccc([O-])c2C1 ZINC001209434346 969508879 /nfs/dbraw/zinc/50/88/79/969508879.db2.gz YBIGTXODZKBKGT-CMPLNLGQSA-N 0 3 217.312 2.406 20 10 BECDHN CCN(Cc1c[nH]nc1C)Cc1ccccc1O ZINC001209557272 969544279 /nfs/dbraw/zinc/54/42/79/969544279.db2.gz PXPCBLVWFZEREK-UHFFFAOYSA-N 0 3 245.326 2.446 20 10 BECDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCSC1)CC2 ZINC001255290329 970046033 /nfs/dbraw/zinc/04/60/33/970046033.db2.gz CRYUZWGNFYGEEX-LLVKDONJSA-N 0 3 235.352 2.256 20 10 BECDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCSC1)CC2 ZINC001255290329 970046039 /nfs/dbraw/zinc/04/60/39/970046039.db2.gz CRYUZWGNFYGEEX-LLVKDONJSA-N 0 3 235.352 2.256 20 10 BECDHN CC[N@H+](Cc1ccc(OC)cc1[O-])C1CC1 ZINC000180103648 970528241 /nfs/dbraw/zinc/52/82/41/970528241.db2.gz LTIQCUWGVBQPHY-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CC[N@@H+](Cc1ccc(OC)cc1[O-])C1CC1 ZINC000180103648 970528248 /nfs/dbraw/zinc/52/82/48/970528248.db2.gz LTIQCUWGVBQPHY-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CC[N@H+](Cc1cc(F)ccc1[O-])CC(C)(C)O ZINC000180160142 970530070 /nfs/dbraw/zinc/53/00/70/970530070.db2.gz DEOCAWQPLLVJBY-UHFFFAOYSA-N 0 3 241.306 2.124 20 10 BECDHN CC[N@@H+](Cc1cc(F)ccc1[O-])CC(C)(C)O ZINC000180160142 970530082 /nfs/dbraw/zinc/53/00/82/970530082.db2.gz DEOCAWQPLLVJBY-UHFFFAOYSA-N 0 3 241.306 2.124 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])CC1CCC(O)CC1 ZINC001330503253 974281890 /nfs/dbraw/zinc/28/18/90/974281890.db2.gz HFFULFQAWOMKOA-UHFFFAOYSA-N 0 3 249.354 2.375 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])CC1CCC(O)CC1 ZINC001330503253 974281902 /nfs/dbraw/zinc/28/19/02/974281902.db2.gz HFFULFQAWOMKOA-UHFFFAOYSA-N 0 3 249.354 2.375 20 10 BECDHN Cc1cnccc1Nc1cc(F)ccc1O ZINC001174537680 976823924 /nfs/dbraw/zinc/82/39/24/976823924.db2.gz MNKYUDQYFZEJBK-UHFFFAOYSA-N 0 3 218.231 2.400 20 10 BECDHN COc1cc(N(C)C)ccc1CN(C)C1CC1 ZINC001231847592 977770920 /nfs/dbraw/zinc/77/09/20/977770920.db2.gz AHJBWNFKIKDKMO-UHFFFAOYSA-N 0 3 234.343 2.355 20 10 BECDHN COc1cc(N(C)C)ccc1CN1CC[C@H]1C ZINC001231849218 977771191 /nfs/dbraw/zinc/77/11/91/977771191.db2.gz OVJUJBHJIABZTN-LLVKDONJSA-N 0 3 234.343 2.355 20 10 BECDHN CCCCN(C)Cc1cc(O)c(O)c(O)c1 ZINC001233010048 978406662 /nfs/dbraw/zinc/40/66/62/978406662.db2.gz IQHGBIASHYKAJN-UHFFFAOYSA-N 0 3 225.288 2.035 20 10 BECDHN CCCCCN(C)Cc1cc(O)c(O)c(O)c1 ZINC001233010667 978407456 /nfs/dbraw/zinc/40/74/56/978407456.db2.gz SSWMWMDZXHLUGM-UHFFFAOYSA-N 0 3 239.315 2.425 20 10 BECDHN C[NH+](C)Cc1cccc(OC(F)(F)F)c1[O-] ZINC001233728016 978681894 /nfs/dbraw/zinc/68/18/94/978681894.db2.gz SSEIWAZOYFFGGQ-UHFFFAOYSA-N 0 3 235.205 2.352 20 10 BECDHN CCc1ccc(C[N@@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC001236783968 979732920 /nfs/dbraw/zinc/73/29/20/979732920.db2.gz QPASBFFGPWQRFZ-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@H+]2CCC[C@H](O)CC2)c([O-])c1 ZINC001236783968 979732930 /nfs/dbraw/zinc/73/29/30/979732930.db2.gz QPASBFFGPWQRFZ-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[NH+]2CC(C3COC3)C2)c([O-])c1 ZINC001236782479 979734179 /nfs/dbraw/zinc/73/41/79/979734179.db2.gz BQIHTTOXERWKCU-UHFFFAOYSA-N 0 3 247.338 2.033 20 10 BECDHN CC(C)c1ccc(CN2CCN(C)CC2)c(O)c1 ZINC001237047920 979811843 /nfs/dbraw/zinc/81/18/43/979811843.db2.gz NYCJFWBOPCGQEH-UHFFFAOYSA-N 0 3 248.370 2.263 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCC[C@H](O)C1 ZINC001237485900 979910369 /nfs/dbraw/zinc/91/03/69/979910369.db2.gz VHHTYOPQCILBON-LBPRGKRZSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCC[C@H](O)C1 ZINC001237485900 979910373 /nfs/dbraw/zinc/91/03/73/979910373.db2.gz VHHTYOPQCILBON-LBPRGKRZSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001237486680 979911128 /nfs/dbraw/zinc/91/11/28/979911128.db2.gz BHMWKYOKNUYQLA-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001237486680 979911135 /nfs/dbraw/zinc/91/11/35/979911135.db2.gz BHMWKYOKNUYQLA-HNNXBMFYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237484670 979911406 /nfs/dbraw/zinc/91/14/06/979911406.db2.gz HCGQIHNPYCGGQI-DOMZBBRYSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001237484670 979911409 /nfs/dbraw/zinc/91/14/09/979911409.db2.gz HCGQIHNPYCGGQI-DOMZBBRYSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC001237487131 979916919 /nfs/dbraw/zinc/91/69/19/979916919.db2.gz GSCRVIPWGAUKRD-RYUDHWBXSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)C[C@@H]1C ZINC001237487131 979916924 /nfs/dbraw/zinc/91/69/24/979916924.db2.gz GSCRVIPWGAUKRD-RYUDHWBXSA-N 0 3 235.327 2.046 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC=CO1 ZINC000379967034 984060911 /nfs/dbraw/zinc/06/09/11/984060911.db2.gz IDTQFXARCJDOGH-GFCCVEGCSA-N 0 3 237.274 2.314 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1(CO)CC1 ZINC000696129657 987341636 /nfs/dbraw/zinc/34/16/36/987341636.db2.gz BZERZOXJZYFNQO-CMPLNLGQSA-N 0 3 247.338 2.130 20 10 BECDHN CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000389563227 993754289 /nfs/dbraw/zinc/75/42/89/993754289.db2.gz URIZCOIMBHJRHI-VXGBXAGGSA-N 0 3 234.343 2.137 20 10 BECDHN CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000389563225 993756679 /nfs/dbraw/zinc/75/66/79/993756679.db2.gz URIZCOIMBHJRHI-NWDGAFQWSA-N 0 3 234.343 2.137 20 10 BECDHN Nc1ccc(CN[C@H]2CCCn3nccc32)cc1 ZINC001337837774 995223008 /nfs/dbraw/zinc/22/30/08/995223008.db2.gz FIAXZCDQBCKHCW-ZDUSSCGKSA-N 0 3 242.326 2.090 20 10 BECDHN CC(C)c1ccc(O)c(CN2CCN(C)CC2)c1 ZINC001621113095 1170719108 /nfs/dbraw/zinc/71/91/08/1170719108.db2.gz VROOPJWNZPVVSQ-UHFFFAOYSA-N 0 3 248.370 2.263 20 10 BECDHN C[C@@H](Cc1ccco1)[NH2+]Cc1cccc(O)c1[O-] ZINC000041117114 1171169391 /nfs/dbraw/zinc/16/93/91/1171169391.db2.gz JZCGIVCMWQGZGS-JTQLQIEISA-N 0 3 247.294 2.412 20 10 BECDHN Cc1ccc(O)c([C@H](C)NCc2ccnn2C)c1 ZINC000071333339 398147119 /nfs/dbraw/zinc/14/71/19/398147119.db2.gz SMEXWRBBZKYNLY-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc(O)c([C@@H](C)NCc2ccnn2C)c1 ZINC000071333337 398147139 /nfs/dbraw/zinc/14/71/39/398147139.db2.gz SMEXWRBBZKYNLY-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN Cc1cc(Cl)cc(C[N@H+](C)CCCO)c1[O-] ZINC000281760851 178063588 /nfs/dbraw/zinc/06/35/88/178063588.db2.gz LKVTYOSTTNCHPO-UHFFFAOYSA-N 0 3 243.734 2.168 20 10 BECDHN Cc1cc(Cl)cc(C[N@@H+](C)CCCO)c1[O-] ZINC000281760851 178063590 /nfs/dbraw/zinc/06/35/90/178063590.db2.gz LKVTYOSTTNCHPO-UHFFFAOYSA-N 0 3 243.734 2.168 20 10 BECDHN C[C@@H]([NH2+]CCC(C)(C)O)c1cc(F)ccc1[O-] ZINC000274775950 398164664 /nfs/dbraw/zinc/16/46/64/398164664.db2.gz JCVQZDGAPSVUPV-SECBINFHSA-N 0 3 241.306 2.343 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](O)CC2)cc1C ZINC000293993754 178195299 /nfs/dbraw/zinc/19/52/99/178195299.db2.gz LVJXPPLDLLPUJE-AWEZNQCLSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](O)CC2)cc1C ZINC000293993754 178195300 /nfs/dbraw/zinc/19/53/00/178195300.db2.gz LVJXPPLDLLPUJE-AWEZNQCLSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C(C)(C)[C@@H](C)O)cc1C ZINC000270623540 178196816 /nfs/dbraw/zinc/19/68/16/178196816.db2.gz CUTACXNTDNKIFA-LLVKDONJSA-N 0 3 237.343 2.258 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CCCCCO)cc1C ZINC000192902936 178197488 /nfs/dbraw/zinc/19/74/88/178197488.db2.gz LDEJTPNEIFBJJB-UHFFFAOYSA-N 0 3 237.343 2.261 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CCC(C)(C)O)cc1C ZINC000274761321 178197574 /nfs/dbraw/zinc/19/75/74/178197574.db2.gz OZRLLCRGQMEMNU-UHFFFAOYSA-N 0 3 237.343 2.260 20 10 BECDHN CC[C@H]([NH2+]CCOC)c1ccccc1[O-] ZINC000019881620 342960682 /nfs/dbraw/zinc/96/06/82/342960682.db2.gz HXJDBLFXBQBNQE-NSHDSACASA-N 0 3 209.289 2.079 20 10 BECDHN CC[C@H](CO)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000020195455 342976147 /nfs/dbraw/zinc/97/61/47/342976147.db2.gz FYWKMVXDQYQHBO-PWSUYJOCSA-N 0 3 223.316 2.204 20 10 BECDHN CC[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1[O-] ZINC000041158727 343415861 /nfs/dbraw/zinc/41/58/61/343415861.db2.gz MBCQPMRHAIUJFL-CYBMUJFWSA-N 0 3 245.326 2.367 20 10 BECDHN COC[C@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000045656693 343532528 /nfs/dbraw/zinc/53/25/28/343532528.db2.gz ZUVUJQUUNBMKSA-GHMZBOCLSA-N 0 3 223.316 2.325 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976155 343958365 /nfs/dbraw/zinc/95/83/65/343958365.db2.gz ZITDVRLBVWVRQX-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976155 343958366 /nfs/dbraw/zinc/95/83/66/343958366.db2.gz ZITDVRLBVWVRQX-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]C[C@@H](C)O ZINC000035601682 178805025 /nfs/dbraw/zinc/80/50/25/178805025.db2.gz IBTYYXHVEPNRAW-HBNTYKKESA-N 0 3 235.327 2.219 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCCC[C@@H]1O ZINC000089912285 345565400 /nfs/dbraw/zinc/56/54/00/345565400.db2.gz LCQSRMMAEFABKW-JSGCOSHPSA-N 0 3 235.327 2.128 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCCC[C@@H]1O ZINC000089912285 345565402 /nfs/dbraw/zinc/56/54/02/345565402.db2.gz LCQSRMMAEFABKW-JSGCOSHPSA-N 0 3 235.327 2.128 20 10 BECDHN Cc1cccc(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000271870944 179066529 /nfs/dbraw/zinc/06/65/29/179066529.db2.gz SDKMYWDNMIWTEE-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c1[O-] ZINC000271870944 179066531 /nfs/dbraw/zinc/06/65/31/179066531.db2.gz SDKMYWDNMIWTEE-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@H+](C)C[C@H]2CCC[C@H]2O)c1[O-] ZINC000271870947 179067668 /nfs/dbraw/zinc/06/76/68/179067668.db2.gz SDKMYWDNMIWTEE-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+](C)C[C@H]2CCC[C@H]2O)c1[O-] ZINC000271870947 179067670 /nfs/dbraw/zinc/06/76/70/179067670.db2.gz SDKMYWDNMIWTEE-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(CN2CCO[C@H](C)[C@@H]2C)c1O ZINC000180256943 179079254 /nfs/dbraw/zinc/07/92/54/179079254.db2.gz ZHPJIPUILDOJGO-NWDGAFQWSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc(C[NH2+]CCOCC(F)F)c1[O-] ZINC000189001844 179091780 /nfs/dbraw/zinc/09/17/80/179091780.db2.gz GOMMTJIBYZFGEV-UHFFFAOYSA-N 0 3 245.269 2.072 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2C)c1[O-] ZINC000277321576 179098916 /nfs/dbraw/zinc/09/89/16/179098916.db2.gz CCTNLAPLZLNPTK-WCQYABFASA-N 0 3 235.327 2.215 20 10 BECDHN CC(C)[C@@]1(CO)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000368225657 187384912 /nfs/dbraw/zinc/38/49/12/187384912.db2.gz LWZLJCBYXPTLDE-HNNXBMFYSA-N 0 3 249.354 2.233 20 10 BECDHN CC(C)[C@@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368225657 187384914 /nfs/dbraw/zinc/38/49/14/187384914.db2.gz LWZLJCBYXPTLDE-HNNXBMFYSA-N 0 3 249.354 2.233 20 10 BECDHN Cc1cccnc1CC[NH2+]Cc1ccccc1[O-] ZINC000295028049 179369769 /nfs/dbraw/zinc/36/97/69/179369769.db2.gz NQAGAALHGFBJJR-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCOC2)c1 ZINC000071408213 188130979 /nfs/dbraw/zinc/13/09/79/188130979.db2.gz YFUMCDOKHVIVRR-GFCCVEGCSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1n[nH]cc1C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617743 188145783 /nfs/dbraw/zinc/14/57/83/188145783.db2.gz LXBJPEZPCMEHML-VIFPVBQESA-N 0 3 249.289 2.414 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1[O-] ZINC000183448375 188168909 /nfs/dbraw/zinc/16/89/09/188168909.db2.gz ZZSJETRYQCZQGR-VXGBXAGGSA-N 0 3 234.343 2.137 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296567108 353828462 /nfs/dbraw/zinc/82/84/62/353828462.db2.gz UUWYTSSIPUKGOE-IVPXFZNXSA-N 0 3 247.338 2.296 20 10 BECDHN CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000191694410 355834223 /nfs/dbraw/zinc/83/42/23/355834223.db2.gz IBEWCEKGYSAFAS-WDEREUQCSA-N 0 3 223.316 2.214 20 10 BECDHN C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296587157 364784846 /nfs/dbraw/zinc/78/48/46/364784846.db2.gz WMARVVUNTSGSAR-RAIGVLPGSA-N 0 3 247.338 2.394 20 10 BECDHN CO[C@@H](C[NH2+]Cc1ccccc1[O-])C(C)C ZINC000072924690 368785567 /nfs/dbraw/zinc/78/55/67/368785567.db2.gz DSSOCPUPZQNCKY-ZDUSSCGKSA-N 0 3 223.316 2.153 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCSCC1 ZINC000273356407 183274806 /nfs/dbraw/zinc/27/48/06/183274806.db2.gz CETSTEUEZAIWOE-UHFFFAOYSA-N 0 3 241.331 2.470 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1CCCSCC1 ZINC000273356407 183274808 /nfs/dbraw/zinc/27/48/08/183274808.db2.gz CETSTEUEZAIWOE-UHFFFAOYSA-N 0 3 241.331 2.470 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCSC1 ZINC000229417672 183275100 /nfs/dbraw/zinc/27/51/00/183275100.db2.gz AOAPASSDXFWEPA-SECBINFHSA-N 0 3 241.331 2.374 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCCOC1)CC2 ZINC000297170147 183298564 /nfs/dbraw/zinc/29/85/64/183298564.db2.gz DKAOPSRPCKDYMW-NWDGAFQWSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCOC1)CC2 ZINC000296022350 183298699 /nfs/dbraw/zinc/29/86/99/183298699.db2.gz PPXMBBRLEIMERI-WCQYABFASA-N 0 3 247.338 2.396 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC2(C1)CCOCC2 ZINC000272356787 183301206 /nfs/dbraw/zinc/30/12/06/183301206.db2.gz DUKZMZGJLHGPHU-UHFFFAOYSA-N 0 3 247.338 2.395 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000272356787 183301209 /nfs/dbraw/zinc/30/12/09/183301209.db2.gz DUKZMZGJLHGPHU-UHFFFAOYSA-N 0 3 247.338 2.395 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCOCC1 ZINC000161435261 183303289 /nfs/dbraw/zinc/30/32/89/183303289.db2.gz NJGSBNQEXIQMNP-GFCCVEGCSA-N 0 3 221.300 2.051 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H]1CCCSC1 ZINC000075152008 183303373 /nfs/dbraw/zinc/30/33/73/183303373.db2.gz KFWKKYAUWGTEOP-NSHDSACASA-N 0 3 223.341 2.377 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000162937042 183303754 /nfs/dbraw/zinc/30/37/54/183303754.db2.gz XUNPUUQECFZRCY-LBPRGKRZSA-N 0 3 219.284 2.175 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000077205533 183303879 /nfs/dbraw/zinc/30/38/79/183303879.db2.gz XCKVJFRDENGUBL-GXTWGEPZSA-N 0 3 235.327 2.033 20 10 BECDHN c1cc(CNCCOCC2CC2)cc2c1OCC2 ZINC000224534698 183368305 /nfs/dbraw/zinc/36/83/05/183368305.db2.gz SCJTUYCRDKUWSG-UHFFFAOYSA-N 0 3 247.338 2.138 20 10 BECDHN CCC[C@@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000293571573 169384495 /nfs/dbraw/zinc/38/44/95/169384495.db2.gz DOSYGWCPZXGKPO-LBPRGKRZSA-N 0 3 223.316 2.297 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@H]2CCOC2)c([O-])c1 ZINC000037738308 384003697 /nfs/dbraw/zinc/00/36/97/384003697.db2.gz XXDJJSLLWFPMSY-VXGBXAGGSA-N 0 3 235.327 2.388 20 10 BECDHN CN(C)c1ccc(CNCc2ccn(C)c2)cc1 ZINC000091007312 384090100 /nfs/dbraw/zinc/09/01/00/384090100.db2.gz IGVAGGGJDXLZQE-UHFFFAOYSA-N 0 3 243.354 2.381 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038088023 384066176 /nfs/dbraw/zinc/06/61/76/384066176.db2.gz BBAARNRQHWOGSC-VXGBXAGGSA-N 0 3 236.359 2.301 20 10 BECDHN CC[C@@H](COC)[NH2+][C@H](C)c1ccccc1[O-] ZINC000070625206 384128404 /nfs/dbraw/zinc/12/84/04/384128404.db2.gz IZUPUACWVXKAJS-MNOVXSKESA-N 0 3 223.316 2.468 20 10 BECDHN CO[C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000091772169 384142919 /nfs/dbraw/zinc/14/29/19/384142919.db2.gz PRPZQXXWOQPUNR-HNNXBMFYSA-N 0 3 248.370 2.363 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCn2ccnc2)c([O-])c1 ZINC000041119322 384181207 /nfs/dbraw/zinc/18/12/07/384181207.db2.gz WVDWYIJQGKEYLA-LBPRGKRZSA-N 0 3 245.326 2.248 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCO)c1 ZINC000132492187 384232530 /nfs/dbraw/zinc/23/25/30/384232530.db2.gz NJYIWONJCORPHW-GHMZBOCLSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@H](CCN(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297598558 384306916 /nfs/dbraw/zinc/30/69/16/384306916.db2.gz HXJBMZKTLNPFDQ-YPMHNXCESA-N 0 3 248.370 2.309 20 10 BECDHN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618502 384307377 /nfs/dbraw/zinc/30/73/77/384307377.db2.gz JLPVBOJEMWCMFV-JOYOIKCWSA-N 0 3 241.306 2.199 20 10 BECDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)CN(C)C ZINC000297388544 384281029 /nfs/dbraw/zinc/28/10/29/384281029.db2.gz RQZXUNOIYIQYNT-DGCLKSJQSA-N 0 3 248.370 2.167 20 10 BECDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)CN(C)C ZINC000297388542 384281462 /nfs/dbraw/zinc/28/14/62/384281462.db2.gz RQZXUNOIYIQYNT-AAEUAGOBSA-N 0 3 248.370 2.167 20 10 BECDHN Cc1ccc(O)c(CN2CCOCC2(C)C)c1 ZINC000133540584 384297716 /nfs/dbraw/zinc/29/77/16/384297716.db2.gz OPWTWKNHRXAGLA-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)CCO)c1ccccc1[O-] ZINC000120627470 384367598 /nfs/dbraw/zinc/36/75/98/384367598.db2.gz PVTMMBVOOIWYNH-JQWIXIFHSA-N 0 3 223.316 2.204 20 10 BECDHN C[C@@H](C1CC1)[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000120851703 384383461 /nfs/dbraw/zinc/38/34/61/384383461.db2.gz FGDLKPJBQAENIS-VIFPVBQESA-N 0 3 249.310 2.351 20 10 BECDHN C[C@@H](C1CC1)[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000120851703 384383465 /nfs/dbraw/zinc/38/34/65/384383465.db2.gz FGDLKPJBQAENIS-VIFPVBQESA-N 0 3 249.310 2.351 20 10 BECDHN CCOCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000036229153 384434059 /nfs/dbraw/zinc/43/40/59/384434059.db2.gz XBXBUIZXKUNFGR-SNVBAGLBSA-N 0 3 209.289 2.079 20 10 BECDHN C[N@H+](CCCCCCO)Cc1ccccc1[O-] ZINC000079321499 384491805 /nfs/dbraw/zinc/49/18/05/384491805.db2.gz JSIMQHQNPUCDFN-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN C[N@@H+](CCCCCCO)Cc1ccccc1[O-] ZINC000079321499 384491809 /nfs/dbraw/zinc/49/18/09/384491809.db2.gz JSIMQHQNPUCDFN-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN CC[C@@H](CO)[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000020195453 384593096 /nfs/dbraw/zinc/59/30/96/384593096.db2.gz FYWKMVXDQYQHBO-JQWIXIFHSA-N 0 3 223.316 2.204 20 10 BECDHN CCSCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000289539697 384673040 /nfs/dbraw/zinc/67/30/40/384673040.db2.gz WRRHKEISRBVWRP-UHFFFAOYSA-N 0 3 241.356 2.244 20 10 BECDHN CCOc1ccc([O-])c(C[NH+]2CCCC2)c1 ZINC000101590285 384683455 /nfs/dbraw/zinc/68/34/55/384683455.db2.gz HGKFQXZFFWIBRE-UHFFFAOYSA-N 0 3 221.300 2.387 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000185141705 384684602 /nfs/dbraw/zinc/68/46/02/384684602.db2.gz UEWHOJXVDZKZDF-STQMWFEESA-N 0 3 248.370 2.445 20 10 BECDHN CN(Cc1ccc(N(C)C)cc1)C[C@@H]1CCCO1 ZINC000102675125 384721724 /nfs/dbraw/zinc/72/17/24/384721724.db2.gz ZPULARXVNSAWTE-HNNXBMFYSA-N 0 3 248.370 2.363 20 10 BECDHN CCN(C)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000054110222 384820671 /nfs/dbraw/zinc/82/06/71/384820671.db2.gz XTOAHKYHRDAIPM-LBPRGKRZSA-N 0 3 236.359 2.303 20 10 BECDHN CC[C@H](C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000289602080 384789694 /nfs/dbraw/zinc/78/96/94/384789694.db2.gz BPTUNCKWFLTMHG-GHMZBOCLSA-N 0 3 223.316 2.468 20 10 BECDHN CC(C)[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163979445 384886108 /nfs/dbraw/zinc/88/61/08/384886108.db2.gz CJZMVVDCONGZIY-GXFFZTMASA-N 0 3 223.316 2.060 20 10 BECDHN Cc1ccc(O)c(CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000126929157 384846357 /nfs/dbraw/zinc/84/63/57/384846357.db2.gz VBLVBNZSPSJVAL-VXGBXAGGSA-N 0 3 235.327 2.310 20 10 BECDHN CC(C)[C@@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000086122465 384986927 /nfs/dbraw/zinc/98/69/27/384986927.db2.gz WRJCPZSSSNUZPH-ZYHUDNBSSA-N 0 3 223.316 2.060 20 10 BECDHN C[C@@H]([NH2+]CCc1cnn(C)c1)c1ccccc1[O-] ZINC000128145654 385005098 /nfs/dbraw/zinc/00/50/98/385005098.db2.gz MDEJCCYBEJGEPX-LLVKDONJSA-N 0 3 245.326 2.019 20 10 BECDHN CC[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000290958964 385068654 /nfs/dbraw/zinc/06/86/54/385068654.db2.gz RJOKJNLHBQWRMN-NSHDSACASA-N 0 3 227.279 2.046 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCC(C)(C)CO)c1 ZINC000294759465 385182096 /nfs/dbraw/zinc/18/20/96/385182096.db2.gz IYSKLXAWFADHMR-UHFFFAOYSA-N 0 3 237.343 2.199 20 10 BECDHN CO[C@](C)(C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000291099356 385203767 /nfs/dbraw/zinc/20/37/67/385203767.db2.gz ZMKKSMHURDXWKP-CQSZACIVSA-N 0 3 235.327 2.297 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000153881570 385288093 /nfs/dbraw/zinc/28/80/93/385288093.db2.gz RZTWJKZVTFVPFA-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCOC1 ZINC000153881570 385288098 /nfs/dbraw/zinc/28/80/98/385288098.db2.gz RZTWJKZVTFVPFA-LBPRGKRZSA-N 0 3 235.327 2.251 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCCCO)c([O-])c1 ZINC000193279797 385390279 /nfs/dbraw/zinc/39/02/79/385390279.db2.gz YHIBBEQLFIYDQN-LLVKDONJSA-N 0 3 223.316 2.124 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CN(C)C)c1 ZINC000168763565 385384845 /nfs/dbraw/zinc/38/48/45/385384845.db2.gz JNMCIUSIWSBKEB-NWDGAFQWSA-N 0 3 236.359 2.301 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CN(C)C)c1 ZINC000168763650 385385070 /nfs/dbraw/zinc/38/50/70/385385070.db2.gz JNMCIUSIWSBKEB-RYUDHWBXSA-N 0 3 236.359 2.301 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](O)C(C)C)c1 ZINC000168774926 385386086 /nfs/dbraw/zinc/38/60/86/385386086.db2.gz SSDWPECDKFPJQJ-FZMZJTMJSA-N 0 3 237.343 2.368 20 10 BECDHN CO[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179570659 385473973 /nfs/dbraw/zinc/47/39/73/385473973.db2.gz BNAGLGGBTDPDIQ-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN CO[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179570659 385473976 /nfs/dbraw/zinc/47/39/76/385473976.db2.gz BNAGLGGBTDPDIQ-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN CCCCC[N@H+](CCO)Cc1ccccc1[O-] ZINC000179556182 385474666 /nfs/dbraw/zinc/47/46/66/385474666.db2.gz ZCXPOQRREMAYSO-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN CCCCC[N@@H+](CCO)Cc1ccccc1[O-] ZINC000179556182 385474669 /nfs/dbraw/zinc/47/46/69/385474669.db2.gz ZCXPOQRREMAYSO-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN CC[C@H]1C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC000281253096 385650903 /nfs/dbraw/zinc/65/09/03/385650903.db2.gz MRIPQEOJAXIBDJ-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CC[C@H]1C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC000281253096 385650910 /nfs/dbraw/zinc/65/09/10/385650910.db2.gz MRIPQEOJAXIBDJ-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@H](C)C1 ZINC000282171396 385737878 /nfs/dbraw/zinc/73/78/78/385737878.db2.gz FAPHZQFJWLIAIS-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H](C)C1 ZINC000282171396 385737885 /nfs/dbraw/zinc/73/78/85/385737885.db2.gz FAPHZQFJWLIAIS-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN CC[N@H+](CCCN(C)C)Cc1ccccc1[O-] ZINC000230744743 385754839 /nfs/dbraw/zinc/75/48/39/385754839.db2.gz GFHYLEPGNHMFOV-UHFFFAOYSA-N 0 3 236.359 2.166 20 10 BECDHN CC[N@@H+](CCCN(C)C)Cc1ccccc1[O-] ZINC000230744743 385754844 /nfs/dbraw/zinc/75/48/44/385754844.db2.gz GFHYLEPGNHMFOV-UHFFFAOYSA-N 0 3 236.359 2.166 20 10 BECDHN CCC1(CO)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000271468417 385830672 /nfs/dbraw/zinc/83/06/72/385830672.db2.gz YJZXBSHLIVZCPG-UHFFFAOYSA-N 0 3 249.354 2.377 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000123535519 385887298 /nfs/dbraw/zinc/88/72/98/385887298.db2.gz XEBBZEAMOWJRLW-GHMZBOCLSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCCO)c([O-])c1 ZINC000284890368 385888575 /nfs/dbraw/zinc/88/85/75/385888575.db2.gz BTLJLHFEMZVMNR-GFCCVEGCSA-N 0 3 237.343 2.432 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C2(CCO)CCCC2)c1 ZINC000285426275 385925475 /nfs/dbraw/zinc/92/54/75/385925475.db2.gz HBPIWDUNIGQWCV-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCOC[C@H]2C)c1 ZINC000285418326 385925749 /nfs/dbraw/zinc/92/57/49/385925749.db2.gz GKLPDXROKHJVHF-OLZOCXBDSA-N 0 3 249.354 2.463 20 10 BECDHN CO[C@H](C)CN(C)Cc1ccc(N(C)C)cc1 ZINC000272781256 385932030 /nfs/dbraw/zinc/93/20/30/385932030.db2.gz HQLZUYCTZZEIHM-GFCCVEGCSA-N 0 3 236.359 2.219 20 10 BECDHN CC[C@](C)(CCO)[NH2+]Cc1cccc(C)c1[O-] ZINC000224906882 386156066 /nfs/dbraw/zinc/15/60/66/386156066.db2.gz SYRQLUZYJWMWIL-CQSZACIVSA-N 0 3 237.343 2.341 20 10 BECDHN C[N@H+](CCOC1CCC1)Cc1ccccc1[O-] ZINC000287931376 386157356 /nfs/dbraw/zinc/15/73/56/386157356.db2.gz WVCHKWRGPQJEFY-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN C[N@@H+](CCOC1CCC1)Cc1ccccc1[O-] ZINC000287931376 386157361 /nfs/dbraw/zinc/15/73/61/386157361.db2.gz WVCHKWRGPQJEFY-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296278320 386159314 /nfs/dbraw/zinc/15/93/14/386159314.db2.gz COGUNQKTMZGUKH-HOSYDEDBSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)c1 ZINC000276003854 386259549 /nfs/dbraw/zinc/25/95/49/386259549.db2.gz NWHOCWVLWVBNTA-HDJSIYSDSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CC[C@H](O)CC2)c1 ZINC000276003854 386259553 /nfs/dbraw/zinc/25/95/53/386259553.db2.gz NWHOCWVLWVBNTA-HDJSIYSDSA-N 0 3 249.354 2.436 20 10 BECDHN CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297155592 386228803 /nfs/dbraw/zinc/22/88/03/386228803.db2.gz COGUNQKTMZGUKH-CKYFFXLPSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC000289337367 386285273 /nfs/dbraw/zinc/28/52/73/386285273.db2.gz HKDUGSNKBRMNPC-TXEJJXNPSA-N 0 3 221.300 2.001 20 10 BECDHN CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC000289337367 386285277 /nfs/dbraw/zinc/28/52/77/386285277.db2.gz HKDUGSNKBRMNPC-TXEJJXNPSA-N 0 3 221.300 2.001 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C1CCC(CO)CC1 ZINC000290530818 386450275 /nfs/dbraw/zinc/45/02/75/386450275.db2.gz QPRSNXLIDXUYQR-UHFFFAOYSA-N 0 3 249.354 2.375 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C1CCC(CO)CC1 ZINC000290530818 386450279 /nfs/dbraw/zinc/45/02/79/386450279.db2.gz QPRSNXLIDXUYQR-UHFFFAOYSA-N 0 3 249.354 2.375 20 10 BECDHN CC(C)C[C@H](CO)[N@H+](C)Cc1ccccc1[O-] ZINC000290375636 386426984 /nfs/dbraw/zinc/42/69/84/386426984.db2.gz HTZXTMQXLXVTKL-CYBMUJFWSA-N 0 3 237.343 2.231 20 10 BECDHN CC(C)C[C@H](CO)[N@@H+](C)Cc1ccccc1[O-] ZINC000290375636 386426990 /nfs/dbraw/zinc/42/69/90/386426990.db2.gz HTZXTMQXLXVTKL-CYBMUJFWSA-N 0 3 237.343 2.231 20 10 BECDHN C[C@@H](O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228042054 386534634 /nfs/dbraw/zinc/53/46/34/386534634.db2.gz MIAXFEBYQZCSHP-MNOVXSKESA-N 0 3 223.316 2.204 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](O)CC2)c1 ZINC000293991658 386672100 /nfs/dbraw/zinc/67/21/00/386672100.db2.gz LQGXGXBAZYKARE-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC000293991658 386672107 /nfs/dbraw/zinc/67/21/07/386672107.db2.gz LQGXGXBAZYKARE-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN C[C@@]1(O)CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000279720422 386728138 /nfs/dbraw/zinc/72/81/38/386728138.db2.gz UPAOZFUYMMEIGJ-CQSZACIVSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@@]1(O)CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000279720422 386728143 /nfs/dbraw/zinc/72/81/43/386728143.db2.gz UPAOZFUYMMEIGJ-CQSZACIVSA-N 0 3 235.327 2.129 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H](C)CCO)c([O-])c1 ZINC000293251815 386794296 /nfs/dbraw/zinc/79/42/96/386794296.db2.gz BPIMSNDITZRJDV-VXGBXAGGSA-N 0 3 237.343 2.431 20 10 BECDHN CO[C@H](C[NH2+]Cc1cc(C)ccc1[O-])C1CC1 ZINC000293219941 386770388 /nfs/dbraw/zinc/77/03/88/386770388.db2.gz YQGUPBYFCOLGCF-CQSZACIVSA-N 0 3 235.327 2.215 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)CO)c1ccc(C)cc1[O-] ZINC000280036709 386773136 /nfs/dbraw/zinc/77/31/36/386773136.db2.gz IMJAAHLJJKNOCI-YPMHNXCESA-N 0 3 237.343 2.370 20 10 BECDHN CO[C@@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000191203878 386774031 /nfs/dbraw/zinc/77/40/31/386774031.db2.gz KFCFFPLMFWGSAL-VIFPVBQESA-N 0 3 243.734 2.479 20 10 BECDHN C[C@@H](NCC1=NOCC1)c1ccc(N(C)C)cc1 ZINC001645342037 1172655536 /nfs/dbraw/zinc/65/55/36/1172655536.db2.gz ZAMIREXAZFMRKH-LLVKDONJSA-N 0 3 247.342 2.180 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CC([C@H]3CCOC3)C2)c1 ZINC000368441932 386974418 /nfs/dbraw/zinc/97/44/18/386974418.db2.gz NKAOUJHWWOZSOS-LBPRGKRZSA-N 0 3 247.338 2.169 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000230316724 387260455 /nfs/dbraw/zinc/26/04/55/387260455.db2.gz MUYCQTDVTVLDJI-OCCSQVGLSA-N 0 3 233.311 2.049 20 10 BECDHN CO[C@@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000378637461 387791016 /nfs/dbraw/zinc/79/10/16/387791016.db2.gz NJXNYELMLVEYFG-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000378637461 387791022 /nfs/dbraw/zinc/79/10/22/387791022.db2.gz NJXNYELMLVEYFG-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CCOc1ccc(O)c(CN[C@@H](C)CF)c1 ZINC000288347110 387979227 /nfs/dbraw/zinc/97/92/27/387979227.db2.gz BUAIXPMXGDCZRF-VIFPVBQESA-N 0 3 227.279 2.239 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)[C@@H]1CCOC1 ZINC000297156506 388428532 /nfs/dbraw/zinc/42/85/32/388428532.db2.gz BDEICBLHTXNXHK-CYZMBNFOSA-N 0 3 247.338 2.394 20 10 BECDHN C[C@H](CCO)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000297434902 388429888 /nfs/dbraw/zinc/42/98/88/388429888.db2.gz VOSKGAARNHSLQC-RYUDHWBXSA-N 0 3 237.343 2.451 20 10 BECDHN C[C@@H](CCCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297616463 388430899 /nfs/dbraw/zinc/43/08/99/388430899.db2.gz ISPPEVPKKFRBNE-CMPLNLGQSA-N 0 3 235.327 2.130 20 10 BECDHN CO[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])C(C)C ZINC000272347818 389032139 /nfs/dbraw/zinc/03/21/39/389032139.db2.gz CTEIVUNWYXKIJM-ZDUSSCGKSA-N 0 3 241.306 2.292 20 10 BECDHN COCCNCc1ccc(N2CCCCC2)cc1 ZINC000020085565 132329963 /nfs/dbraw/zinc/32/99/63/132329963.db2.gz ZZGKAVZEDZBEAB-UHFFFAOYSA-N 0 3 248.370 2.413 20 10 BECDHN Oc1ccccc1CN1CCOC[C@H]1C1CC1 ZINC000179579768 134321686 /nfs/dbraw/zinc/32/16/86/134321686.db2.gz FEEPRHYCMMLXMB-ZDUSSCGKSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000179577228 134321769 /nfs/dbraw/zinc/32/17/69/134321769.db2.gz MEDLBVSQORUUKF-HIFRSBDPSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2OCCC[C@@H]2C1 ZINC000179577228 134321770 /nfs/dbraw/zinc/32/17/70/134321770.db2.gz MEDLBVSQORUUKF-HIFRSBDPSA-N 0 3 247.338 2.393 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000180615660 134330524 /nfs/dbraw/zinc/33/05/24/134330524.db2.gz UUCWONHFJSUHQM-OAHLLOKOSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c1[O-] ZINC000180615660 134330525 /nfs/dbraw/zinc/33/05/25/134330525.db2.gz UUCWONHFJSUHQM-OAHLLOKOSA-N 0 3 247.338 2.313 20 10 BECDHN C/C=C/C[C@@H](CO)NCc1ccc2c(c1)CCO2 ZINC000185816988 397873311 /nfs/dbraw/zinc/87/33/11/397873311.db2.gz UTIXBKVNHGVLPO-HSWBROFVSA-N 0 3 247.338 2.038 20 10 BECDHN CC(C)[C@@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000228794619 167393650 /nfs/dbraw/zinc/39/36/50/167393650.db2.gz CVDDRKODJYBLLS-DGCLKSJQSA-N 0 3 237.343 2.450 20 10 BECDHN CCN1CC[C@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000037644121 170017356 /nfs/dbraw/zinc/01/73/56/170017356.db2.gz MDHKCSBVURRMAA-QWHCGFSZSA-N 0 3 248.370 2.385 20 10 BECDHN CCOCC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000293129883 170355319 /nfs/dbraw/zinc/35/53/19/170355319.db2.gz ZQJFURSZAQBBBD-UHFFFAOYSA-N 0 3 223.316 2.297 20 10 BECDHN CC[C@@](C)(CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180837872 171165349 /nfs/dbraw/zinc/16/53/49/171165349.db2.gz IZIAPHGOQFKLRT-ZDUSSCGKSA-N 0 3 241.306 2.172 20 10 BECDHN CC[C@H]1CN(Cc2ccccc2O)C[C@H](C)O1 ZINC000179563403 171662422 /nfs/dbraw/zinc/66/24/22/171662422.db2.gz AKIIDPHMIZDKBI-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN COCC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000156034036 174120780 /nfs/dbraw/zinc/12/07/80/174120780.db2.gz LNWXSERMBFBONI-UHFFFAOYSA-N 0 3 235.327 2.251 20 10 BECDHN COCCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000020142525 174249351 /nfs/dbraw/zinc/24/93/51/174249351.db2.gz MEVKTMUUAXRHEE-JTQLQIEISA-N 0 3 239.315 2.088 20 10 BECDHN COc1ccc(CNCc2ccccn2)c(O)c1 ZINC000040905810 175108012 /nfs/dbraw/zinc/10/80/12/175108012.db2.gz KHVMMLHFYDRISP-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2C)c1 ZINC000132650722 175158164 /nfs/dbraw/zinc/15/81/64/175158164.db2.gz NAFSTUJLQKKTLR-JTQLQIEISA-N 0 3 221.300 2.385 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2C)c1 ZINC000132650722 175158165 /nfs/dbraw/zinc/15/81/65/175158165.db2.gz NAFSTUJLQKKTLR-JTQLQIEISA-N 0 3 221.300 2.385 20 10 BECDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H]2C)c1 ZINC000162519451 175158711 /nfs/dbraw/zinc/15/87/11/175158711.db2.gz GGMHGNJOIFORPV-ZJUUUORDSA-N 0 3 221.300 2.146 20 10 BECDHN COc1cccc(C[NH2+]CC(C)C)c1[O-] ZINC000019883066 175263140 /nfs/dbraw/zinc/26/31/40/175263140.db2.gz FQEMPSZYSNJIDA-UHFFFAOYSA-N 0 3 209.289 2.146 20 10 BECDHN COc1cccc(C[NH2+]CCC(F)(F)F)c1[O-] ZINC000063098640 175263835 /nfs/dbraw/zinc/26/38/35/175263835.db2.gz FRIMFUTZRANLRH-UHFFFAOYSA-N 0 3 249.232 2.443 20 10 BECDHN COc1cccc(C[NH2+]C[C@@H](C)SC)c1[O-] ZINC000128185589 175264901 /nfs/dbraw/zinc/26/49/01/175264901.db2.gz FVPGNECXTOCSEK-SECBINFHSA-N 0 3 241.356 2.242 20 10 BECDHN C[C@@H]1CC[C@@H](C[N@H+](C)Cc2ccccc2[O-])O1 ZINC000190860984 176202762 /nfs/dbraw/zinc/20/27/62/176202762.db2.gz RYTOPCITNQFVAQ-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1CC[C@@H](C[N@@H+](C)Cc2ccccc2[O-])O1 ZINC000190860984 176202765 /nfs/dbraw/zinc/20/27/65/176202765.db2.gz RYTOPCITNQFVAQ-YPMHNXCESA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1CC[C@H](C[N@H+](C)Cc2ccccc2[O-])O1 ZINC000190860952 176224028 /nfs/dbraw/zinc/22/40/28/176224028.db2.gz RYTOPCITNQFVAQ-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2[O-])O1 ZINC000190860952 176224030 /nfs/dbraw/zinc/22/40/30/176224030.db2.gz RYTOPCITNQFVAQ-DGCLKSJQSA-N 0 3 235.327 2.392 20 10 BECDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CCCO1 ZINC000132722136 176307695 /nfs/dbraw/zinc/30/76/95/176307695.db2.gz NKEHTLWNOQWLEV-LLVKDONJSA-N 0 3 221.300 2.003 20 10 BECDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CCCO1 ZINC000132722136 176307696 /nfs/dbraw/zinc/30/76/96/176307696.db2.gz NKEHTLWNOQWLEV-LLVKDONJSA-N 0 3 221.300 2.003 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])[C@@H](C)O1 ZINC000295264090 176377291 /nfs/dbraw/zinc/37/72/91/176377291.db2.gz VGCOJFYMPBDRBU-CKYFFXLPSA-N 0 3 221.300 2.048 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CN1C1CC1 ZINC000122327904 176378366 /nfs/dbraw/zinc/37/83/66/176378366.db2.gz UHMNEUMQCQJPNL-DGCLKSJQSA-N 0 3 246.354 2.107 20 10 BECDHN C[C@H]1CCC[C@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000293011519 177144275 /nfs/dbraw/zinc/14/42/75/177144275.db2.gz OAKYCFCQFYEYPT-FZMZJTMJSA-N 0 3 235.327 2.033 20 10 BECDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226563348 177162827 /nfs/dbraw/zinc/16/28/27/177162827.db2.gz XTVZESCXSGFQMS-VIFPVBQESA-N 0 3 209.264 2.373 20 10 BECDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226563348 177162828 /nfs/dbraw/zinc/16/28/28/177162828.db2.gz XTVZESCXSGFQMS-VIFPVBQESA-N 0 3 209.264 2.373 20 10 BECDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CN1C1CC1 ZINC000122327719 177370953 /nfs/dbraw/zinc/37/09/53/177370953.db2.gz UHMNEUMQCQJPNL-AAEUAGOBSA-N 0 3 246.354 2.107 20 10 BECDHN CC[C@@H]([NH2+]CC1COC1)c1ccccc1[O-] ZINC000528024747 262902851 /nfs/dbraw/zinc/90/28/51/262902851.db2.gz JOXQHYYXOOOTQW-GFCCVEGCSA-N 0 3 221.300 2.079 20 10 BECDHN COC[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000113310990 588831021 /nfs/dbraw/zinc/83/10/21/588831021.db2.gz XTXICMOZWODFIH-JTQLQIEISA-N 0 3 240.322 2.016 20 10 BECDHN CCC[C@@H](C)[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000846014860 582642299 /nfs/dbraw/zinc/64/22/99/582642299.db2.gz AMHXGOAQDQGPOE-YPMHNXCESA-N 0 3 237.343 2.279 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000857061260 588884635 /nfs/dbraw/zinc/88/46/35/588884635.db2.gz NBBNZIYXJOKPNV-OCCSQVGLSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)[C@H](CO)C2)c1 ZINC000857061260 588884637 /nfs/dbraw/zinc/88/46/37/588884637.db2.gz NBBNZIYXJOKPNV-OCCSQVGLSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H](CO)CC1CCC1 ZINC000894837263 583529310 /nfs/dbraw/zinc/52/93/10/583529310.db2.gz ZBUBTTUQPRJRJC-ZDUSSCGKSA-N 0 3 249.354 2.341 20 10 BECDHN COc1ccc(C[NH2+][C@@H]2C=CCC2)c([O-])c1OC ZINC000895338960 583653587 /nfs/dbraw/zinc/65/35/87/583653587.db2.gz WJIMOIPPCINSCE-LLVKDONJSA-N 0 3 249.310 2.218 20 10 BECDHN C[C@@H](O)C1(NCc2ccc3c(c2)CCCO3)CC1 ZINC000895443331 583674248 /nfs/dbraw/zinc/67/42/48/583674248.db2.gz VNLMOUNHNQFZGE-LLVKDONJSA-N 0 3 247.338 2.015 20 10 BECDHN C/C=C\C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000858289969 588942439 /nfs/dbraw/zinc/94/24/39/588942439.db2.gz CEOXRDQRAWLCSU-HYXAFXHYSA-N 0 3 221.300 2.457 20 10 BECDHN CC[C@@H]([NH3+])CNCc1c([O-])cc(C)cc1Cl ZINC000841071942 584392378 /nfs/dbraw/zinc/39/23/78/584392378.db2.gz KCJYKVJGLQFXIT-SECBINFHSA-N 0 3 242.750 2.181 20 10 BECDHN CC[C@H]([NH2+]CC1(N)CC1)c1ccc(F)cc1[O-] ZINC000902404915 584588741 /nfs/dbraw/zinc/58/87/41/584588741.db2.gz GZGZJUBMPWZXEA-NSHDSACASA-N 0 3 238.306 2.063 20 10 BECDHN CC[C@@H]([NH2+]CC1(N)CC1)c1ccc(C)cc1[O-] ZINC000902404874 584589255 /nfs/dbraw/zinc/58/92/55/584589255.db2.gz GMFCFNSHJVZMPI-GFCCVEGCSA-N 0 3 234.343 2.233 20 10 BECDHN CC[C@H]([NH2+]CCCON)c1ccc(C)cc1[O-] ZINC000902425412 584593822 /nfs/dbraw/zinc/59/38/22/584593822.db2.gz NJBJDQWVEFJLBJ-LBPRGKRZSA-N 0 3 238.331 2.022 20 10 BECDHN C[C@H](N[C@@H]1C[NH2+]CC1(C)C)c1ccccc1[O-] ZINC000902447887 584604702 /nfs/dbraw/zinc/60/47/02/584604702.db2.gz BSXCPXKIEVNXNX-GXFFZTMASA-N 0 3 234.343 2.041 20 10 BECDHN C[C@@H]([NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12)c1ccccc1[O-] ZINC000903287106 584745671 /nfs/dbraw/zinc/74/56/71/584745671.db2.gz AADUTRPDXVZVRE-MHVRPGDESA-N 0 3 245.322 2.219 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C1CC(CCO)C1)CC2 ZINC000903334288 584751212 /nfs/dbraw/zinc/75/12/12/584751212.db2.gz ZPOGMWLUBMWEFC-KGPNIALWSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H]([NH2+][C@@H]1COC[C@H]1C1CC1)c1ccccc1[O-] ZINC000903438804 584762939 /nfs/dbraw/zinc/76/29/39/584762939.db2.gz XFVABJJJKDFEOU-LEWSCRJBSA-N 0 3 247.338 2.468 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000827700666 584900705 /nfs/dbraw/zinc/90/07/05/584900705.db2.gz WOAMURYYSCYKAY-WFASDCNBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@](C)(CO)C2)c1 ZINC000827700666 584900706 /nfs/dbraw/zinc/90/07/06/584900706.db2.gz WOAMURYYSCYKAY-WFASDCNBSA-N 0 3 249.354 2.151 20 10 BECDHN CC[C@@H](N)C[NH2+][C@H](CC)c1ccc(F)cc1[O-] ZINC000817979339 584994325 /nfs/dbraw/zinc/99/43/25/584994325.db2.gz JNCBSNCAWKFGGA-ZYHUDNBSSA-N 0 3 240.322 2.309 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC2(C1)CCOCC2 ZINC000839140546 585094390 /nfs/dbraw/zinc/09/43/90/585094390.db2.gz FDNTYBNOEAJOHC-UHFFFAOYSA-N 0 3 233.311 2.005 20 10 BECDHN CC[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000839192927 585097959 /nfs/dbraw/zinc/09/79/59/585097959.db2.gz UOSYEILMRNMODD-OLZOCXBDSA-N 0 3 235.327 2.358 20 10 BECDHN CC[C@H](C[C@H](C)CO)[NH2+]Cc1ccccc1[O-] ZINC000743499126 585137462 /nfs/dbraw/zinc/13/74/62/585137462.db2.gz HUEMBKMYGDKZLC-WCQYABFASA-N 0 3 237.343 2.279 20 10 BECDHN COc1ccc(C[NH2+]Cc2ccn(C)c2)c([O-])c1 ZINC000748098539 585186917 /nfs/dbraw/zinc/18/69/17/585186917.db2.gz GXCNWEHUNMXTMU-UHFFFAOYSA-N 0 3 246.310 2.029 20 10 BECDHN C[C@H]1C[C@H]1C[N@H+](C)Cc1ccccc1[O-] ZINC000754100740 585278156 /nfs/dbraw/zinc/27/81/56/585278156.db2.gz FDWJXRBBWXFAOZ-JQWIXIFHSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@H]1C[C@H]1C[N@@H+](C)Cc1ccccc1[O-] ZINC000754100740 585278157 /nfs/dbraw/zinc/27/81/57/585278157.db2.gz FDWJXRBBWXFAOZ-JQWIXIFHSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@@H](CO)[NH2+][C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000756657256 585322165 /nfs/dbraw/zinc/32/21/65/585322165.db2.gz BWEMGJSXVXUYCO-OYNCUSHFSA-N 0 3 239.290 2.050 20 10 BECDHN CCOc1ccc(C[N@H+](C)C2CC2)c([O-])c1 ZINC000768336364 585535710 /nfs/dbraw/zinc/53/57/10/585535710.db2.gz SGPSPKHSHAOXIR-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CCOc1ccc(C[N@@H+](C)C2CC2)c([O-])c1 ZINC000768336364 585535711 /nfs/dbraw/zinc/53/57/11/585535711.db2.gz SGPSPKHSHAOXIR-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc([O-])c1C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000769448367 585556606 /nfs/dbraw/zinc/55/66/06/585556606.db2.gz MGPGVCQOYNFPHZ-QWRGUYRKSA-N 0 3 235.327 2.489 20 10 BECDHN OC[C@H](NCc1ccccc1O)c1ccsc1 ZINC000769936251 585566730 /nfs/dbraw/zinc/56/67/30/585566730.db2.gz VDMPVQKVEPTCEM-LBPRGKRZSA-N 0 3 249.335 2.277 20 10 BECDHN C[C@H]([NH2+]CCN1CC[C@H](C)C1)c1ccccc1[O-] ZINC000775130782 585672616 /nfs/dbraw/zinc/67/26/16/585672616.db2.gz OGFBJROGSGCRHT-STQMWFEESA-N 0 3 248.370 2.385 20 10 BECDHN C[C@H]([NH2+]C[C@@H](O)c1ccco1)c1ccccc1[O-] ZINC000775136492 585672644 /nfs/dbraw/zinc/67/26/44/585672644.db2.gz KGWDRIPVNDWZIP-GXFFZTMASA-N 0 3 247.294 2.369 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2CCC2(C)C)c1 ZINC000775702991 585683286 /nfs/dbraw/zinc/68/32/86/585683286.db2.gz HGFXYAKVWJKKMB-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2CCC2(C)C)c1 ZINC000775702991 585683287 /nfs/dbraw/zinc/68/32/87/585683287.db2.gz HGFXYAKVWJKKMB-UHFFFAOYSA-N 0 3 221.300 2.385 20 10 BECDHN CC(C)[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](C)O ZINC000779013659 585744056 /nfs/dbraw/zinc/74/40/56/585744056.db2.gz HQWFAAILIXCDAZ-JTQLQIEISA-N 0 3 241.306 2.123 20 10 BECDHN CC(C)[N@H+](Cc1cc(F)ccc1[O-])C[C@H](C)O ZINC000779013659 585744057 /nfs/dbraw/zinc/74/40/57/585744057.db2.gz HQWFAAILIXCDAZ-JTQLQIEISA-N 0 3 241.306 2.123 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000780893310 585785836 /nfs/dbraw/zinc/78/58/36/585785836.db2.gz WCXSXCUDTVXVFN-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000780893310 585785837 /nfs/dbraw/zinc/78/58/37/585785837.db2.gz WCXSXCUDTVXVFN-CHWSQXEVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000789557762 585944125 /nfs/dbraw/zinc/94/41/25/585944125.db2.gz LTLFANYIDVPZAF-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@]2(C)CO)c1[O-] ZINC000789557762 585944126 /nfs/dbraw/zinc/94/41/26/585944126.db2.gz LTLFANYIDVPZAF-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN COc1ccc([O-])c(C[NH+]2CC(C3CC3)C2)c1 ZINC000812775979 586584017 /nfs/dbraw/zinc/58/40/17/586584017.db2.gz QDPNAWNSDMLGRU-UHFFFAOYSA-N 0 3 233.311 2.243 20 10 BECDHN COc1ccc(O)c(CN2CC(C3CC3)C2)c1 ZINC000812775979 586584018 /nfs/dbraw/zinc/58/40/18/586584018.db2.gz QDPNAWNSDMLGRU-UHFFFAOYSA-N 0 3 233.311 2.243 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@@H](O)C2(C)C)c1[O-] ZINC000812778175 586584045 /nfs/dbraw/zinc/58/40/45/586584045.db2.gz CKYJYVFKQBWPOZ-GFCCVEGCSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@@H](O)C2(C)C)c1[O-] ZINC000812778175 586584046 /nfs/dbraw/zinc/58/40/46/586584046.db2.gz CKYJYVFKQBWPOZ-GFCCVEGCSA-N 0 3 235.327 2.046 20 10 BECDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cc[nH]c(=O)c1 ZINC000815148364 586670588 /nfs/dbraw/zinc/67/05/88/586670588.db2.gz UQBIOSGYUDLJMT-SNVBAGLBSA-N 0 3 244.294 2.344 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CCOC2)c([O-])c1 ZINC000815597835 586688802 /nfs/dbraw/zinc/68/88/02/586688802.db2.gz HIDXXVKALOVINL-NEPJUHHUSA-N 0 3 235.327 2.449 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1[O-] ZINC000817412739 586801399 /nfs/dbraw/zinc/80/13/99/586801399.db2.gz OQNWATWZPYIXPT-YPMHNXCESA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1[O-] ZINC000817412739 586801400 /nfs/dbraw/zinc/80/14/00/586801400.db2.gz OQNWATWZPYIXPT-YPMHNXCESA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)CC[C@H]2C)cc1C ZINC000817413883 586801461 /nfs/dbraw/zinc/80/14/61/586801461.db2.gz CFVOJRPAMLVNAJ-TZMCWYRMSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)CC[C@H]2C)cc1C ZINC000817413883 586801462 /nfs/dbraw/zinc/80/14/62/586801462.db2.gz CFVOJRPAMLVNAJ-TZMCWYRMSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000817414055 586801616 /nfs/dbraw/zinc/80/16/16/586801616.db2.gz FDSGWHZLTQEQGD-YPMHNXCESA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000817414055 586801619 /nfs/dbraw/zinc/80/16/19/586801619.db2.gz FDSGWHZLTQEQGD-YPMHNXCESA-N 0 3 235.327 2.046 20 10 BECDHN CC[C@H](NCC[NH2+]C)c1cc(Cl)ccc1[O-] ZINC000817953292 586848745 /nfs/dbraw/zinc/84/87/45/586848745.db2.gz ZFPKBVPPXQHBQE-NSHDSACASA-N 0 3 242.750 2.306 20 10 BECDHN CC[C@H]([NH2+]CCNC)c1cc(Cl)ccc1[O-] ZINC000817953292 586848747 /nfs/dbraw/zinc/84/87/47/586848747.db2.gz ZFPKBVPPXQHBQE-NSHDSACASA-N 0 3 242.750 2.306 20 10 BECDHN C[C@@H]([NH2+]CC(C)(C)N)c1cc(F)cc(F)c1[O-] ZINC000817961178 586851295 /nfs/dbraw/zinc/85/12/95/586851295.db2.gz YKBYUIOHFRDFIL-SSDOTTSWSA-N 0 3 244.285 2.058 20 10 BECDHN C[C@@H](NCC(C)(C)[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817961178 586851296 /nfs/dbraw/zinc/85/12/96/586851296.db2.gz YKBYUIOHFRDFIL-SSDOTTSWSA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(C)cc1[O-] ZINC000817959729 586851354 /nfs/dbraw/zinc/85/13/54/586851354.db2.gz HRHADEZKKOVLGS-KGLIPLIRSA-N 0 3 248.370 2.479 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)CN)c1ccc(F)cc1[O-] ZINC000817963022 586853211 /nfs/dbraw/zinc/85/32/11/586853211.db2.gz QHGPLHSMGRJHRC-CABZTGNLSA-N 0 3 240.322 2.167 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(C)cc1[O-] ZINC000817965680 586855404 /nfs/dbraw/zinc/85/54/04/586855404.db2.gz TUIOACTZTMHENG-KGLIPLIRSA-N 0 3 248.370 2.479 20 10 BECDHN CC[C@@H]([NH2+][C@@H](C)CN)c1cc(Cl)ccc1[O-] ZINC000817969333 586856526 /nfs/dbraw/zinc/85/65/26/586856526.db2.gz BXHMUWZUSWTMIF-GZMMTYOYSA-N 0 3 242.750 2.434 20 10 BECDHN C[C@@H](CN)[NH2+][C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817970344 586858442 /nfs/dbraw/zinc/85/84/42/586858442.db2.gz RPXGPSQDJMQBPL-WEDXCCLWSA-N 0 3 238.306 2.016 20 10 BECDHN CC[C@H]([NH2+]C[C@@H](C)N)c1cc(Cl)ccc1[O-] ZINC000817973795 586860723 /nfs/dbraw/zinc/86/07/23/586860723.db2.gz WQVCWRPFOAWOEX-KCJUWKMLSA-N 0 3 242.750 2.434 20 10 BECDHN C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978079 586861390 /nfs/dbraw/zinc/86/13/90/586861390.db2.gz VOSUFHRKNHQNNO-CSMHCCOUSA-N 0 3 244.285 2.057 20 10 BECDHN C[C@@H]([NH3+])[C@H](C)N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817978079 586861391 /nfs/dbraw/zinc/86/13/91/586861391.db2.gz VOSUFHRKNHQNNO-CSMHCCOUSA-N 0 3 244.285 2.057 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](N)CC)c1ccccc1[O-] ZINC000817979372 586862112 /nfs/dbraw/zinc/86/21/12/586862112.db2.gz JYHQIRZUUXHMFT-CMPLNLGQSA-N 0 3 222.332 2.170 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@H]1CC12CC2 ZINC000818231073 586880604 /nfs/dbraw/zinc/88/06/04/586880604.db2.gz UPXRYJAULBPYBJ-LBPRGKRZSA-N 0 3 219.284 2.043 20 10 BECDHN Cc1cccc(C[NH+]2C[C@H](C)C(O)[C@@H](C)C2)c1[O-] ZINC000827151985 587371453 /nfs/dbraw/zinc/37/14/53/587371453.db2.gz ONTBQQZFUSAJIF-RYUDHWBXSA-N 0 3 249.354 2.149 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(CO)C2)c1[O-] ZINC000827700826 587397279 /nfs/dbraw/zinc/39/72/79/587397279.db2.gz XVHNHIJEPBEHMI-DOMZBBRYSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(CO)C2)c1[O-] ZINC000827700826 587397280 /nfs/dbraw/zinc/39/72/80/587397280.db2.gz XVHNHIJEPBEHMI-DOMZBBRYSA-N 0 3 249.354 2.151 20 10 BECDHN C[C@H](CO)N(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000835053913 587779675 /nfs/dbraw/zinc/77/96/75/587779675.db2.gz QDZJIGZYAQCPCM-URWSZGRFSA-N 0 3 248.370 2.078 20 10 BECDHN Cc1ccc(O)c(CNc2nccn2C)c1 ZINC000840887568 587927879 /nfs/dbraw/zinc/92/78/79/587927879.db2.gz LJFIXDGLYXRWGV-UHFFFAOYSA-N 0 3 217.272 2.046 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000840977805 587932919 /nfs/dbraw/zinc/93/29/19/587932919.db2.gz KBBHAFVJGTXXJZ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@H](CO)[C@@H]2C)c1[O-] ZINC000840977805 587932920 /nfs/dbraw/zinc/93/29/20/587932920.db2.gz KBBHAFVJGTXXJZ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN CC(C)(N)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841029889 587935942 /nfs/dbraw/zinc/93/59/42/587935942.db2.gz CKJNJFXHISMOKP-UHFFFAOYSA-N 0 3 246.713 2.012 20 10 BECDHN CC(C)([NH3+])CNCc1cc(Cl)cc(F)c1[O-] ZINC000841029889 587935943 /nfs/dbraw/zinc/93/59/43/587935943.db2.gz CKJNJFXHISMOKP-UHFFFAOYSA-N 0 3 246.713 2.012 20 10 BECDHN Cc1cccc(C[NH2+][C@H](CN)CC(C)C)c1[O-] ZINC000841038469 587937442 /nfs/dbraw/zinc/93/74/42/587937442.db2.gz JZGOYFKMUAPOAM-ZDUSSCGKSA-N 0 3 236.359 2.164 20 10 BECDHN C[NH2+]CCCNCc1c([O-])cc(C)cc1Cl ZINC000841043674 587939238 /nfs/dbraw/zinc/93/92/38/587939238.db2.gz ZUXQJEUJPKBYRY-UHFFFAOYSA-N 0 3 242.750 2.053 20 10 BECDHN C[C@@H](C[NH3+])NCc1cc(Cl)cc(Cl)c1[O-] ZINC000841063873 587941325 /nfs/dbraw/zinc/94/13/25/587941325.db2.gz RNNALCYEQYJBHA-LURJTMIESA-N 0 3 249.141 2.136 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CO[C@H](C)C2)cc1C ZINC000842774428 588062255 /nfs/dbraw/zinc/06/22/55/588062255.db2.gz HLJIGZHPSCRCGI-YPMHNXCESA-N 0 3 235.327 2.276 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2CO[C@H](C)C2)cc1C ZINC000842774424 588062546 /nfs/dbraw/zinc/06/25/46/588062546.db2.gz HLJIGZHPSCRCGI-DGCLKSJQSA-N 0 3 235.327 2.276 20 10 BECDHN Cc1cc([O-])c(CN(C)[C@@H](C)C[NH3+])c(Cl)c1 ZINC000843053126 588076716 /nfs/dbraw/zinc/07/67/16/588076716.db2.gz YRBHHUWYDJAPRE-VIFPVBQESA-N 0 3 242.750 2.133 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H](CO)CCF)c([O-])c1 ZINC000846209370 588260037 /nfs/dbraw/zinc/26/00/37/588260037.db2.gz QRXRFNPDEYNIRI-MNOVXSKESA-N 0 3 241.306 2.072 20 10 BECDHN CCc1cccc(C[N@H+]2C[C@@H](CC)[C@H](O)C2)c1[O-] ZINC000848891467 588417987 /nfs/dbraw/zinc/41/79/87/588417987.db2.gz YPFYFBSFSRJPNR-TZMCWYRMSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2C[C@@H](CC)[C@H](O)C2)c1[O-] ZINC000848891467 588417988 /nfs/dbraw/zinc/41/79/88/588417988.db2.gz YPFYFBSFSRJPNR-TZMCWYRMSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@H]2COC)c1[O-] ZINC000848914446 588420190 /nfs/dbraw/zinc/42/01/90/588420190.db2.gz NABWLIQPTDLMMG-CYBMUJFWSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@H]2COC)c1[O-] ZINC000848914446 588420191 /nfs/dbraw/zinc/42/01/91/588420191.db2.gz NABWLIQPTDLMMG-CYBMUJFWSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1cccc(CN2CC[C@@H]2COC)c1O ZINC000848914446 588420193 /nfs/dbraw/zinc/42/01/93/588420193.db2.gz NABWLIQPTDLMMG-CYBMUJFWSA-N 0 3 235.327 2.175 20 10 BECDHN CCc1cccc(C[N@H+](C)[C@H](C)CCO)c1[O-] ZINC000848918616 588420793 /nfs/dbraw/zinc/42/07/93/588420793.db2.gz GAIHHRKWEKEPAL-LLVKDONJSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](C)[C@H](C)CCO)c1[O-] ZINC000848918616 588420794 /nfs/dbraw/zinc/42/07/94/588420794.db2.gz GAIHHRKWEKEPAL-LLVKDONJSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[NH+]2CC(C(C)(C)O)C2)c1[O-] ZINC000848917564 588420919 /nfs/dbraw/zinc/42/09/19/588420919.db2.gz WCYZHFSHZNXOJM-UHFFFAOYSA-N 0 3 249.354 2.157 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H](C)C2(CO)CC2)cc1C ZINC000850360556 588540697 /nfs/dbraw/zinc/54/06/97/588540697.db2.gz GGAQOLWUNNDMBY-GFCCVEGCSA-N 0 3 249.354 2.260 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)C23CCC3)c1 ZINC000850389053 588543156 /nfs/dbraw/zinc/54/31/56/588543156.db2.gz SLJPMYMLKRDUSK-UONOGXRCSA-N 0 3 247.338 2.094 20 10 BECDHN CC[C@@H]([NH2+]C/C=C\CO)c1ccc(C)cc1[O-] ZINC000850507181 588553445 /nfs/dbraw/zinc/55/34/45/588553445.db2.gz DTJPKNCVGVYNMH-DSYXLKISSA-N 0 3 235.327 2.290 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]C/C=C/CO)c([O-])c1 ZINC000850509091 588554548 /nfs/dbraw/zinc/55/45/48/588554548.db2.gz PBWLYZFYZJOKFS-ZYOFXKKJSA-N 0 3 235.327 2.208 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]C/C=C\CO)c([O-])c1 ZINC000850509087 588554607 /nfs/dbraw/zinc/55/46/07/588554607.db2.gz PBWLYZFYZJOKFS-QMAVJUDZSA-N 0 3 235.327 2.208 20 10 BECDHN CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000862441366 589213419 /nfs/dbraw/zinc/21/34/19/589213419.db2.gz QTIGBDONRHNCFK-TXEJJXNPSA-N 0 3 233.311 2.243 20 10 BECDHN CCOc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC000862441366 589213422 /nfs/dbraw/zinc/21/34/22/589213422.db2.gz QTIGBDONRHNCFK-TXEJJXNPSA-N 0 3 233.311 2.243 20 10 BECDHN CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862441719 589213483 /nfs/dbraw/zinc/21/34/83/589213483.db2.gz UQOSPNVZBYZYDA-TXEJJXNPSA-N 0 3 233.311 2.243 20 10 BECDHN CCOc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862441719 589213484 /nfs/dbraw/zinc/21/34/84/589213484.db2.gz UQOSPNVZBYZYDA-TXEJJXNPSA-N 0 3 233.311 2.243 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)CC2(C)COC2)c1 ZINC000862476579 589216567 /nfs/dbraw/zinc/21/65/67/589216567.db2.gz DFEJEBOFKVFFII-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)CC2(C)COC2)c1 ZINC000862476579 589216568 /nfs/dbraw/zinc/21/65/68/589216568.db2.gz DFEJEBOFKVFFII-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN C/C=C/C[NH2+]Cc1cc(OC)c(OC)cc1[O-] ZINC000862530369 589218358 /nfs/dbraw/zinc/21/83/58/589218358.db2.gz LDMFQSUQUDWRDQ-SNAWJCMRSA-N 0 3 237.299 2.075 20 10 BECDHN CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccccc1[O-] ZINC000863543345 589297248 /nfs/dbraw/zinc/29/72/48/589297248.db2.gz MWBXFUKVMVFMDQ-KGYLQXTDSA-N 0 3 234.343 2.183 20 10 BECDHN CS[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000865733934 589459053 /nfs/dbraw/zinc/45/90/53/589459053.db2.gz AXSPILYSWMRQCS-XYPYZODXSA-N 0 3 223.341 2.376 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCCC[C@H]1O)CC2 ZINC000866638540 589506609 /nfs/dbraw/zinc/50/66/09/589506609.db2.gz HYEGSPCEBXXGCB-RWMBFGLXSA-N 0 3 247.338 2.273 20 10 BECDHN CC[C@@H]([NH2+]CC(C)(C)CO)c1ccccc1[O-] ZINC000122052813 589552028 /nfs/dbraw/zinc/55/20/28/589552028.db2.gz DFEXKDBKOXAVIC-GFCCVEGCSA-N 0 3 237.343 2.451 20 10 BECDHN CCCOc1ccc(CNC[C@H](C)O)cc1C ZINC000873006344 589978942 /nfs/dbraw/zinc/97/89/42/589978942.db2.gz FLUVAQDQXMKANS-LBPRGKRZSA-N 0 3 237.343 2.254 20 10 BECDHN CCCOc1ccc(CNC2(CO)CC2)cc1C ZINC000873094798 589984464 /nfs/dbraw/zinc/98/44/64/589984464.db2.gz NVRYIUHVLYGCPU-UHFFFAOYSA-N 0 3 249.354 2.398 20 10 BECDHN CCCOc1ccc(CN[C@@H]2CC[C@H]2O)cc1C ZINC000873133055 589985602 /nfs/dbraw/zinc/98/56/02/589985602.db2.gz BQCKYTSXYNYACR-ZIAGYGMSSA-N 0 3 249.354 2.397 20 10 BECDHN COC[C@H](C)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019904834 590040884 /nfs/dbraw/zinc/04/08/84/590040884.db2.gz KCAXRGHWDRRXJE-UWVGGRQHSA-N 0 3 239.315 2.086 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)COC)c1ccccc1[O-] ZINC000019904908 590041042 /nfs/dbraw/zinc/04/10/42/590041042.db2.gz IBSWDDRGFXXXIS-JQWIXIFHSA-N 0 3 223.316 2.468 20 10 BECDHN CCCN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000020189622 590082924 /nfs/dbraw/zinc/08/29/24/590082924.db2.gz PFVMOHMVLWVHIG-UHFFFAOYSA-N 0 3 248.370 2.356 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCN(C3CC3)C2)c1[O-] ZINC000124806122 590090698 /nfs/dbraw/zinc/09/06/98/590090698.db2.gz PZONRKIWIFJMLV-ZDUSSCGKSA-N 0 3 246.354 2.027 20 10 BECDHN Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)c(O)c1 ZINC000876512688 590205799 /nfs/dbraw/zinc/20/57/99/590205799.db2.gz VZRBXRGWUGJIBP-TXEJJXNPSA-N 0 3 235.327 2.310 20 10 BECDHN CC[C@H]1CN(Cc2c(C)cccc2O)CCO1 ZINC000876560276 590215566 /nfs/dbraw/zinc/21/55/66/590215566.db2.gz JOFXVWUQSXESLF-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN COC[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876726030 590233788 /nfs/dbraw/zinc/23/37/88/590233788.db2.gz TYAABGSNJQTSFJ-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876726030 590233790 /nfs/dbraw/zinc/23/37/90/590233790.db2.gz TYAABGSNJQTSFJ-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H]2C[C@H](C)O)c([O-])c1 ZINC000876748794 590237488 /nfs/dbraw/zinc/23/74/88/590237488.db2.gz FRMUARPXZOWQFC-JSGCOSHPSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c([O-])c1 ZINC000876748794 590237490 /nfs/dbraw/zinc/23/74/90/590237490.db2.gz FRMUARPXZOWQFC-JSGCOSHPSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@H+]2CCOC[C@H](C)C2)c([O-])c1 ZINC000876752603 590237639 /nfs/dbraw/zinc/23/76/39/590237639.db2.gz UKESNVPJZJOWAP-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2CCOC[C@H](C)C2)c([O-])c1 ZINC000876752603 590237640 /nfs/dbraw/zinc/23/76/40/590237640.db2.gz UKESNVPJZJOWAP-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC000876760514 590239087 /nfs/dbraw/zinc/23/90/87/590239087.db2.gz SNLICNRGTLJDNX-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@](C)(O)C2)c([O-])c1 ZINC000876760514 590239089 /nfs/dbraw/zinc/23/90/89/590239089.db2.gz SNLICNRGTLJDNX-CQSZACIVSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC000876789493 590241418 /nfs/dbraw/zinc/24/14/18/590241418.db2.gz CCGFYWSYRQITHL-OAHLLOKOSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC000876789491 590241412 /nfs/dbraw/zinc/24/14/12/590241412.db2.gz CCGFYWSYRQITHL-HNNXBMFYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@]3(CCOC3)C2)c([O-])c1 ZINC000876789491 590241414 /nfs/dbraw/zinc/24/14/14/590241414.db2.gz CCGFYWSYRQITHL-HNNXBMFYSA-N 0 3 247.338 2.313 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@]3(CCOC3)C2)c([O-])c1 ZINC000876789493 590241420 /nfs/dbraw/zinc/24/14/20/590241420.db2.gz CCGFYWSYRQITHL-OAHLLOKOSA-N 0 3 247.338 2.313 20 10 BECDHN CCN1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876881122 590252745 /nfs/dbraw/zinc/25/27/45/590252745.db2.gz BEBGHMZJLHEYQB-AWEZNQCLSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H](C)Cn1cccn1 ZINC000876926951 590257908 /nfs/dbraw/zinc/25/79/08/590257908.db2.gz LXGLMKGCRUQXFX-GFCCVEGCSA-N 0 3 245.326 2.075 20 10 BECDHN COCCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876934738 590258520 /nfs/dbraw/zinc/25/85/20/590258520.db2.gz MJOCPPFOXRMYAU-UHFFFAOYSA-N 0 3 223.316 2.217 20 10 BECDHN COCCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876934450 590258721 /nfs/dbraw/zinc/25/87/21/590258721.db2.gz HNPNEWSUMWMCQS-UHFFFAOYSA-N 0 3 223.316 2.217 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H]2CCCCO2)c([O-])c1 ZINC000876972522 590263134 /nfs/dbraw/zinc/26/31/34/590263134.db2.gz VENRDBUOCBVKCK-ZDUSSCGKSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCc1nccs1 ZINC000876991715 590266139 /nfs/dbraw/zinc/26/61/39/590266139.db2.gz CXPHKKQAUWYRLP-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN Cc1ccc(C[NH2+]CCc2nccs2)c([O-])c1 ZINC000876992201 590266514 /nfs/dbraw/zinc/26/65/14/590266514.db2.gz NKVXEVZINBODBK-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H](C)N(C)C2CC2)c([O-])c1 ZINC000877024118 590270309 /nfs/dbraw/zinc/27/03/09/590270309.db2.gz QWAFENVSSGUSMR-LBPRGKRZSA-N 0 3 248.370 2.273 20 10 BECDHN CCC[C@@](C)(CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877034841 590272341 /nfs/dbraw/zinc/27/23/41/590272341.db2.gz BTVJKMYCWSPAEV-AWEZNQCLSA-N 0 3 237.343 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000877056219 590275759 /nfs/dbraw/zinc/27/57/59/590275759.db2.gz QQYAHVYPWMGJOV-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@H](O)C2)c([O-])c1 ZINC000877058677 590276168 /nfs/dbraw/zinc/27/61/68/590276168.db2.gz LCXCWFLGAZWVNL-JSGCOSHPSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)C[C@@H](C)O ZINC000877058405 590276240 /nfs/dbraw/zinc/27/62/40/590276240.db2.gz IDPCPWBKKIRAAA-ZYHUDNBSSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H](C)C[C@@H](C)O)c([O-])c1 ZINC000877059521 590276447 /nfs/dbraw/zinc/27/64/47/590276447.db2.gz XTOBTSXZULFOLI-NWDGAFQWSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H](CCO)C(C)C ZINC000877062882 590276540 /nfs/dbraw/zinc/27/65/40/590276540.db2.gz DSINMOAZPHRPIT-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN CO[C@H](C[NH2+]Cc1ccc(C)cc1[O-])C(C)C ZINC000877068317 590277317 /nfs/dbraw/zinc/27/73/17/590277317.db2.gz VEKKXJJNAHCGDD-CQSZACIVSA-N 0 3 237.343 2.461 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000877070782 590277498 /nfs/dbraw/zinc/27/74/98/590277498.db2.gz VYCZCQIMVSKMCC-CHWSQXEVSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000877070783 590277667 /nfs/dbraw/zinc/27/76/67/590277667.db2.gz VYCZCQIMVSKMCC-OLZOCXBDSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000877070921 590277722 /nfs/dbraw/zinc/27/77/22/590277722.db2.gz YUMXOBSNQCCHHA-OCCSQVGLSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCN1CCC[C@@H]1C ZINC000877154024 590293574 /nfs/dbraw/zinc/29/35/74/590293574.db2.gz LVAQDBGBNYFBFG-ZDUSSCGKSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc(C[NH2+][C@]2(C)CCCOC2)c([O-])c1 ZINC000877163892 590294612 /nfs/dbraw/zinc/29/46/12/590294612.db2.gz WCVWVKLNFPVMFV-CQSZACIVSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[NH2+]C2(CO)CCCCC2)c([O-])c1 ZINC000877354922 590319272 /nfs/dbraw/zinc/31/92/72/590319272.db2.gz JMBTYNWOMJLZAS-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN Cc1ccc(CN2CCO[C@@H](C3CC3)C2)c(O)c1 ZINC000877423951 590325534 /nfs/dbraw/zinc/32/55/34/590325534.db2.gz NSEMHCQOJRBEQH-OAHLLOKOSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000877461859 590332064 /nfs/dbraw/zinc/33/20/64/590332064.db2.gz KZMMBYQSMCZFSA-CQSZACIVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000877461859 590332066 /nfs/dbraw/zinc/33/20/66/590332066.db2.gz KZMMBYQSMCZFSA-CQSZACIVSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCOC[C@H]2C)c([O-])c1 ZINC000877479695 590336924 /nfs/dbraw/zinc/33/69/24/590336924.db2.gz VWSXCWLGIZIBCR-YPMHNXCESA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@](C)(O)CC2)c([O-])c1 ZINC000877489193 590339008 /nfs/dbraw/zinc/33/90/08/590339008.db2.gz LEVYPFAHFBPZJU-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@](C)(O)CC2)c([O-])c1 ZINC000877489193 590339010 /nfs/dbraw/zinc/33/90/10/590339010.db2.gz LEVYPFAHFBPZJU-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[NH2+]CCN2CC=CCC2)c([O-])c1 ZINC000877492011 590340178 /nfs/dbraw/zinc/34/01/78/590340178.db2.gz ZOTLPVDSCJJHLV-UHFFFAOYSA-N 0 3 246.354 2.052 20 10 BECDHN CO[C@@H](C)C[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000877522825 590346079 /nfs/dbraw/zinc/34/60/79/590346079.db2.gz HDTWGBWNYCHEAQ-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN CO[C@@H](C)C[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000877522825 590346081 /nfs/dbraw/zinc/34/60/81/590346081.db2.gz HDTWGBWNYCHEAQ-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN COCC(C)(C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877547509 590353804 /nfs/dbraw/zinc/35/38/04/590353804.db2.gz ZCZDBMHYPXPNIQ-UHFFFAOYSA-N 0 3 237.343 2.463 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@]2(O)CCC[C@H]2C)c([O-])c1 ZINC000877553286 590355453 /nfs/dbraw/zinc/35/54/53/590355453.db2.gz MUJFARXLEFSBPU-DOMZBBRYSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](O)CC1 ZINC000877554555 590356181 /nfs/dbraw/zinc/35/61/81/590356181.db2.gz KGXDWXUWXRRMRK-LBPRGKRZSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](O)CC1 ZINC000877554555 590356179 /nfs/dbraw/zinc/35/61/79/590356179.db2.gz KGXDWXUWXRRMRK-LBPRGKRZSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[NH+]2CC3(CC3)C2)c([O-])c1 ZINC000877555905 590356270 /nfs/dbraw/zinc/35/62/70/590356270.db2.gz GNULAKUEIWKWDD-UHFFFAOYSA-N 0 3 203.285 2.296 20 10 BECDHN Cc1ccc(CN2CC[C@@H](F)C2)c(O)c1 ZINC000877559467 590358934 /nfs/dbraw/zinc/35/89/34/590358934.db2.gz ODKWDDWWTPWOIH-LLVKDONJSA-N 0 3 209.264 2.244 20 10 BECDHN Cc1ccc(C[NH2+][C@H](C)CCCCO)c([O-])c1 ZINC000877562446 590359661 /nfs/dbraw/zinc/35/96/61/590359661.db2.gz SQHZHWRQWWYUIS-GFCCVEGCSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877561389 590360257 /nfs/dbraw/zinc/36/02/57/590360257.db2.gz LWMYCIMVRNTZAJ-KGLIPLIRSA-N 0 3 249.354 2.293 20 10 BECDHN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877561389 590360259 /nfs/dbraw/zinc/36/02/59/590360259.db2.gz LWMYCIMVRNTZAJ-KGLIPLIRSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1nocc1CNCc1c(C)cccc1O ZINC000877563101 590360878 /nfs/dbraw/zinc/36/08/78/590360878.db2.gz HUUOQWMLJHIIPZ-UHFFFAOYSA-N 0 3 232.283 2.287 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000877576485 590363725 /nfs/dbraw/zinc/36/37/25/590363725.db2.gz LLDHTGDOBALOMA-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CCCO)C1 ZINC000877576485 590363728 /nfs/dbraw/zinc/36/37/28/590363728.db2.gz LLDHTGDOBALOMA-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN COCC1(C)C[NH+](Cc2c(C)cccc2[O-])C1 ZINC000877582133 590365591 /nfs/dbraw/zinc/36/55/91/590365591.db2.gz JVQHTGQJFKRDNR-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c([O-])c1 ZINC000877586423 590367771 /nfs/dbraw/zinc/36/77/71/590367771.db2.gz DLBUIXHBKUGYDM-RYUDHWBXSA-N 0 3 235.352 2.390 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CS3)c([O-])c1 ZINC000877586423 590367773 /nfs/dbraw/zinc/36/77/73/590367773.db2.gz DLBUIXHBKUGYDM-RYUDHWBXSA-N 0 3 235.352 2.390 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000877593252 590369420 /nfs/dbraw/zinc/36/94/20/590369420.db2.gz QVXDAGJOGRIRDG-TZMCWYRMSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000877595156 590369736 /nfs/dbraw/zinc/36/97/36/590369736.db2.gz UAKHETPPBSMPIP-AAEUAGOBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000877595156 590369739 /nfs/dbraw/zinc/36/97/39/590369739.db2.gz UAKHETPPBSMPIP-AAEUAGOBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CC23CC3)c([O-])c1 ZINC000877597459 590370897 /nfs/dbraw/zinc/37/08/97/590370897.db2.gz MSMXGXFDCAVPEO-GFCCVEGCSA-N 0 3 203.285 2.343 20 10 BECDHN Cc1ccc(C[N@@H+](C[C@@H](C)O)C2CC2)c([O-])c1 ZINC000877621325 590376125 /nfs/dbraw/zinc/37/61/25/590376125.db2.gz QOQZUWUBSMREDV-LLVKDONJSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@H+](C[C@@H](C)O)C2CC2)c([O-])c1 ZINC000877621325 590376128 /nfs/dbraw/zinc/37/61/28/590376128.db2.gz QOQZUWUBSMREDV-LLVKDONJSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000877630264 590378470 /nfs/dbraw/zinc/37/84/70/590378470.db2.gz DIETUYGUNXPHOB-SWLSCSKDSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000877630264 590378471 /nfs/dbraw/zinc/37/84/71/590378471.db2.gz DIETUYGUNXPHOB-SWLSCSKDSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H]3COC[C@H]3C2)c([O-])c1 ZINC000877638025 590381663 /nfs/dbraw/zinc/38/16/63/590381663.db2.gz RKVOYVSJWOQJDO-ZIAGYGMSSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H]3COC[C@H]3C2)c([O-])c1 ZINC000877638025 590381665 /nfs/dbraw/zinc/38/16/65/590381665.db2.gz RKVOYVSJWOQJDO-ZIAGYGMSSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000877646880 590384224 /nfs/dbraw/zinc/38/42/24/590384224.db2.gz MNWQTTKHZAANSZ-AAEUAGOBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000877646880 590384226 /nfs/dbraw/zinc/38/42/26/590384226.db2.gz MNWQTTKHZAANSZ-AAEUAGOBSA-N 0 3 249.354 2.151 20 10 BECDHN [O-]c1cccc2c1C[N@H+](CC[C@H]1CCOC1)C2 ZINC000877702593 590396358 /nfs/dbraw/zinc/39/63/58/590396358.db2.gz CVJZGPVJHPHGEQ-NSHDSACASA-N 0 3 233.311 2.134 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](CC[C@H]1CCOC1)C2 ZINC000877702593 590396361 /nfs/dbraw/zinc/39/63/61/590396361.db2.gz CVJZGPVJHPHGEQ-NSHDSACASA-N 0 3 233.311 2.134 20 10 BECDHN CC(C)[C@H]1C[N@H+](Cc2ccccc2[O-])CCN1C ZINC000877751193 590414571 /nfs/dbraw/zinc/41/45/71/590414571.db2.gz YABPYFXUJBRJEK-CQSZACIVSA-N 0 3 248.370 2.164 20 10 BECDHN CC(C)[C@H]1C[N@@H+](Cc2ccccc2[O-])CCN1C ZINC000877751193 590414576 /nfs/dbraw/zinc/41/45/76/590414576.db2.gz YABPYFXUJBRJEK-CQSZACIVSA-N 0 3 248.370 2.164 20 10 BECDHN CCn1cncc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000877755423 590416909 /nfs/dbraw/zinc/41/69/09/590416909.db2.gz AVXOYHZLBHTJRD-LLVKDONJSA-N 0 3 245.326 2.459 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c([O-])c1 ZINC000877837213 590432783 /nfs/dbraw/zinc/43/27/83/590432783.db2.gz VTMZGXIXNLTKHH-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c([O-])c1 ZINC000877837213 590432785 /nfs/dbraw/zinc/43/27/85/590432785.db2.gz VTMZGXIXNLTKHH-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN CC(C)[C@@H](O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000878242318 590528608 /nfs/dbraw/zinc/52/86/08/590528608.db2.gz OMENLGARRXRUJZ-ZDUSSCGKSA-N 0 3 237.343 2.231 20 10 BECDHN CC(C)[C@@H](O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000878242318 590528611 /nfs/dbraw/zinc/52/86/11/590528611.db2.gz OMENLGARRXRUJZ-ZDUSSCGKSA-N 0 3 237.343 2.231 20 10 BECDHN CC(C)[C@@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650264 590843036 /nfs/dbraw/zinc/84/30/36/590843036.db2.gz SKWRPKKTTFVKKB-YPMHNXCESA-N 0 3 237.343 2.450 20 10 BECDHN COC(=O)/C(C)=C\C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879651355 590843509 /nfs/dbraw/zinc/84/35/09/590843509.db2.gz RWTBPIRIFNLSNN-IEHMKBBKSA-N 0 3 249.310 2.162 20 10 BECDHN C[NH2+]CCCN(C)Cc1c([O-])cccc1Cl ZINC000128352014 591002276 /nfs/dbraw/zinc/00/22/76/591002276.db2.gz VWQVTQWJSQHMLG-UHFFFAOYSA-N 0 3 242.750 2.087 20 10 BECDHN CCN1CC[C@H]1C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000883360339 591630458 /nfs/dbraw/zinc/63/04/58/591630458.db2.gz APVBHZCVHMVYHM-AWEZNQCLSA-N 0 3 248.370 2.193 20 10 BECDHN CCOC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000132464395 591709728 /nfs/dbraw/zinc/70/97/28/591709728.db2.gz RLTPLOIAQVOBJT-UHFFFAOYSA-N 0 3 235.327 2.393 20 10 BECDHN COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000301028778 592526842 /nfs/dbraw/zinc/52/68/42/592526842.db2.gz TYBUBGYWOKXADC-JTQLQIEISA-N 0 3 223.316 2.295 20 10 BECDHN CC(C)C[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000223660151 592537774 /nfs/dbraw/zinc/53/77/74/592537774.db2.gz OKWOUWRPLFZERB-RYUDHWBXSA-N 0 3 237.343 2.450 20 10 BECDHN c1csc(SCCN2CCCC2)n1 ZINC000308339376 631293534 /nfs/dbraw/zinc/29/35/34/631293534.db2.gz QAZUMQZSQOSIPX-UHFFFAOYSA-N 0 3 214.359 2.331 20 10 BECDHN C[C@H]([NH2+][C@@H](C)C(C)(C)O)c1ccccc1[O-] ZINC000309511043 632433076 /nfs/dbraw/zinc/43/30/76/632433076.db2.gz XHOVETKKLXUUAS-UWVGGRQHSA-N 0 3 223.316 2.202 20 10 BECDHN C[C@H]1CSC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000309817275 632672532 /nfs/dbraw/zinc/67/25/32/632672532.db2.gz VMVCDXCITRAZLR-GZMMTYOYSA-N 0 3 241.331 2.372 20 10 BECDHN C[C@H](O)C[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310472314 632745776 /nfs/dbraw/zinc/74/57/76/632745776.db2.gz IXRGELFZODVFES-NHCYSSNCSA-N 0 3 235.327 2.129 20 10 BECDHN C[C@H]1CC[C@@H](C[NH2+]Cc2ccccc2[O-])O1 ZINC000162939974 633042136 /nfs/dbraw/zinc/04/21/36/633042136.db2.gz ULVKZBYNQVIVNK-JQWIXIFHSA-N 0 3 221.300 2.049 20 10 BECDHN CC(C)[C@@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311112396 633067957 /nfs/dbraw/zinc/06/79/57/633067957.db2.gz WYRVNFBPIQLAHK-DOMZBBRYSA-N 0 3 249.354 2.376 20 10 BECDHN CC[C@@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168795807 633149012 /nfs/dbraw/zinc/14/90/12/633149012.db2.gz YHHRWYPPCYMSFO-KOLCDFICSA-N 0 3 241.306 2.343 20 10 BECDHN COc1cccc([O-])c1C[NH2+][C@H](C)C1CC1 ZINC000309878450 633890217 /nfs/dbraw/zinc/89/02/17/633890217.db2.gz UKCYLZCVKSBYFX-SECBINFHSA-N 0 3 221.300 2.289 20 10 BECDHN CC[C@@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000309445157 633920743 /nfs/dbraw/zinc/92/07/43/633920743.db2.gz JNWKYZYBYMOOHF-CYBMUJFWSA-N 0 3 221.300 2.051 20 10 BECDHN CC[C@H]([NH2+]CCOC)c1ccc(C)cc1[O-] ZINC000310035433 634099280 /nfs/dbraw/zinc/09/92/80/634099280.db2.gz TYGPDVRWNBMJCU-LBPRGKRZSA-N 0 3 223.316 2.388 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CC2 ZINC000297526724 634236849 /nfs/dbraw/zinc/23/68/49/634236849.db2.gz DIEUXQYWOHSPBK-CZXHOFHRSA-N 0 3 245.322 2.289 20 10 BECDHN Oc1ccccc1CN1CCO[C@@H](C2CCC2)C1 ZINC000840955250 635385845 /nfs/dbraw/zinc/38/58/45/635385845.db2.gz SPDYJKYLLNUAHD-OAHLLOKOSA-N 0 3 247.338 2.393 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCCN(C)C1)c1ccccc1[O-] ZINC000040671897 636938472 /nfs/dbraw/zinc/93/84/72/636938472.db2.gz WZAQRKGGENTEPD-NWDGAFQWSA-N 0 3 234.343 2.137 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC[C@@H]1CCOC1)CC2 ZINC000311106701 639533401 /nfs/dbraw/zinc/53/34/01/639533401.db2.gz VLMGSBRLZJDITP-YPMHNXCESA-N 0 3 247.338 2.396 20 10 BECDHN CCN(CC)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000045690137 711488228 /nfs/dbraw/zinc/48/82/28/711488228.db2.gz IDJSBVJSYQVSMX-GFCCVEGCSA-N 0 3 236.359 2.212 20 10 BECDHN CCC[C@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000164163119 640452047 /nfs/dbraw/zinc/45/20/47/640452047.db2.gz LWIPXWUTXATGLQ-CYBMUJFWSA-N 0 3 223.316 2.033 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCCCn1ccnc1 ZINC000045094476 640504343 /nfs/dbraw/zinc/50/43/43/640504343.db2.gz GONDUBRWANPAMV-UHFFFAOYSA-N 0 3 245.326 2.159 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H]1CCOC1 ZINC000230393256 641048925 /nfs/dbraw/zinc/04/89/25/641048925.db2.gz PWPQTUPGRJBKTB-JTQLQIEISA-N 0 3 239.290 2.048 20 10 BECDHN C[C@@H]([NH2+]CC[C@H]1CCOC1)c1ccccc1[O-] ZINC000230410547 641052366 /nfs/dbraw/zinc/05/23/66/641052366.db2.gz LLDKQIUDHDZUJX-NEPJUHHUSA-N 0 3 235.327 2.469 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000230669381 641078591 /nfs/dbraw/zinc/07/85/91/641078591.db2.gz LKAILHMVPJLVDQ-AAEUAGOBSA-N 0 3 235.327 2.033 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000230669376 641078756 /nfs/dbraw/zinc/07/87/56/641078756.db2.gz LKAILHMVPJLVDQ-WCQYABFASA-N 0 3 235.327 2.033 20 10 BECDHN CC(C)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000183509633 643140276 /nfs/dbraw/zinc/14/02/76/643140276.db2.gz KPNVJPJMJLQDFM-BXUZGUMPSA-N 0 3 237.343 2.450 20 10 BECDHN Cc1cc(N(C)C)ccc1CNCc1cn[nH]c1 ZINC000734511419 643500983 /nfs/dbraw/zinc/50/09/83/643500983.db2.gz AWOHYWUVECTFPS-UHFFFAOYSA-N 0 3 244.342 2.074 20 10 BECDHN CO[C@@]1(C)C[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000922264949 643935098 /nfs/dbraw/zinc/93/50/98/643935098.db2.gz ZBNACBAAEMQAEL-CABCVRRESA-N 0 3 247.338 2.279 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000769488853 644682457 /nfs/dbraw/zinc/68/24/57/644682457.db2.gz RWCKFEMWMHLMQD-TXEJJXNPSA-N 0 3 247.338 2.489 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000769488853 644682461 /nfs/dbraw/zinc/68/24/61/644682461.db2.gz RWCKFEMWMHLMQD-TXEJJXNPSA-N 0 3 247.338 2.489 20 10 BECDHN CC[C@H](N)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981151 644994741 /nfs/dbraw/zinc/99/47/41/644994741.db2.gz ZMOILFZPGXGTPP-APPZFPTMSA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@H]([NH3+])CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981151 644994747 /nfs/dbraw/zinc/99/47/47/644994747.db2.gz ZMOILFZPGXGTPP-APPZFPTMSA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@@H](N)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981153 644995094 /nfs/dbraw/zinc/99/50/94/644995094.db2.gz ZMOILFZPGXGTPP-IONNQARKSA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@@H]([NH3+])CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817981153 644995098 /nfs/dbraw/zinc/99/50/98/644995098.db2.gz ZMOILFZPGXGTPP-IONNQARKSA-N 0 3 244.285 2.058 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC=CO1 ZINC000877459588 645797513 /nfs/dbraw/zinc/79/75/13/645797513.db2.gz LHSYTUBGKQCWNE-LBPRGKRZSA-N 0 3 233.311 2.483 20 10 BECDHN CCC[C@@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000716815456 712576522 /nfs/dbraw/zinc/57/65/22/712576522.db2.gz RMXHNZFMNMYSNQ-LBPRGKRZSA-N 0 3 241.306 2.172 20 10 BECDHN CC(=O)c1cc(F)cc(CN2C[C@@H]3C[C@@H]3C2)c1O ZINC000380375940 712900202 /nfs/dbraw/zinc/90/02/02/712900202.db2.gz IBTNIIHUBMOPJG-AOOOYVTPSA-N 0 3 249.285 2.186 20 10 BECDHN CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1[O-])[C@H](C)O ZINC000386945760 711038830 /nfs/dbraw/zinc/03/88/30/711038830.db2.gz WNWXRDPQXKLVDF-PTRXPTGYSA-N 0 3 241.306 2.341 20 10 BECDHN COCCCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000397088607 711377065 /nfs/dbraw/zinc/37/70/65/711377065.db2.gz GSRMXLVRALYLQE-UHFFFAOYSA-N 0 3 241.306 2.390 20 10 BECDHN COCCCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000397088607 711377068 /nfs/dbraw/zinc/37/70/68/711377068.db2.gz GSRMXLVRALYLQE-UHFFFAOYSA-N 0 3 241.306 2.390 20 10 BECDHN C[C@@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000386582334 711032682 /nfs/dbraw/zinc/03/26/82/711032682.db2.gz AHOYXCYSYXKCLS-IUODEOHRSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@](O)(C[NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000386582333 711032786 /nfs/dbraw/zinc/03/27/86/711032786.db2.gz AHOYXCYSYXKCLS-DOMZBBRYSA-N 0 3 247.338 2.130 20 10 BECDHN Cc1ccc(CN[C@@H](C)c2ccccc2O)nn1 ZINC000396724872 711369612 /nfs/dbraw/zinc/36/96/12/711369612.db2.gz YDWGSTGTBBANRZ-NSHDSACASA-N 0 3 243.310 2.341 20 10 BECDHN C[C@@]1(C[NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000397193154 711379808 /nfs/dbraw/zinc/37/98/08/711379808.db2.gz QKMOHRZLKLKIKN-ZDUSSCGKSA-N 0 3 239.290 2.048 20 10 BECDHN CC(C)N(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000386450982 711556735 /nfs/dbraw/zinc/55/67/35/711556735.db2.gz DQAYUEIGMZAWBW-CYBMUJFWSA-N 0 3 248.370 2.309 20 10 BECDHN COC(C)(C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000382398689 711601425 /nfs/dbraw/zinc/60/14/25/711601425.db2.gz KACSXYYTPIHNEO-LLVKDONJSA-N 0 3 235.327 2.394 20 10 BECDHN COC1CC(C[NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000703139449 712067002 /nfs/dbraw/zinc/06/70/02/712067002.db2.gz YDUHMMGKLADTIL-VOMCLLRMSA-N 0 3 235.327 2.468 20 10 BECDHN CC[C@@H]([NH2+]C[C@H]1CCN1C)c1ccccc1[O-] ZINC000712586926 712434947 /nfs/dbraw/zinc/43/49/47/712434947.db2.gz PQDPYUACBDYVPF-DGCLKSJQSA-N 0 3 234.343 2.137 20 10 BECDHN CCN1CC[C@@H]1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000712561569 712445736 /nfs/dbraw/zinc/44/57/36/712445736.db2.gz CZBVVZGBDGADGH-VXGBXAGGSA-N 0 3 234.343 2.137 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC000715476027 712520825 /nfs/dbraw/zinc/52/08/25/712520825.db2.gz ZTAWBPIGAPZWFW-HIFRSBDPSA-N 0 3 247.338 2.439 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CO)C1CCC1)CC2 ZINC000717617515 712662762 /nfs/dbraw/zinc/66/27/62/712662762.db2.gz ZSVPGEGCCYPXSB-OLZOCXBDSA-N 0 3 247.338 2.130 20 10 BECDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000380145667 712699657 /nfs/dbraw/zinc/69/96/57/712699657.db2.gz HIWDABSOVGNBSB-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000380145667 712699659 /nfs/dbraw/zinc/69/96/59/712699659.db2.gz HIWDABSOVGNBSB-LBPRGKRZSA-N 0 3 239.290 2.142 20 10 BECDHN C[C@@H]1[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1C ZINC000719648744 712820717 /nfs/dbraw/zinc/82/07/17/712820717.db2.gz RRJHJAQFKUCSQQ-RAIGVLPGSA-N 0 3 246.354 2.062 20 10 BECDHN CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000380240610 712843332 /nfs/dbraw/zinc/84/33/32/712843332.db2.gz NDUGCIUPLNPXRR-CMPLNLGQSA-N 0 3 223.341 2.376 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2C[C@H](O)C2)c([O-])c1 ZINC000720938492 712880357 /nfs/dbraw/zinc/88/03/57/712880357.db2.gz BFBRQIRBNAUQMO-SRVKXCTJSA-N 0 3 235.327 2.122 20 10 BECDHN C[C@@H]([NH2+][C@@H]1CO[C@H](C)C1)c1ccccc1[O-] ZINC000402111343 956977576 /nfs/dbraw/zinc/97/75/76/956977576.db2.gz DKSBWWKKRHBTNM-MXWKQRLJSA-N 0 3 221.300 2.220 20 10 BECDHN CC(C)[N@H+](CCCO)Cc1cc(F)ccc1[O-] ZINC001140055208 957489137 /nfs/dbraw/zinc/48/91/37/957489137.db2.gz NTQXHDHQLBWMRX-UHFFFAOYSA-N 0 3 241.306 2.124 20 10 BECDHN CC(C)[N@@H+](CCCO)Cc1cc(F)ccc1[O-] ZINC001140055208 957489150 /nfs/dbraw/zinc/48/91/50/957489150.db2.gz NTQXHDHQLBWMRX-UHFFFAOYSA-N 0 3 241.306 2.124 20 10 BECDHN Cc1ccc(O)c(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001140619722 960465868 /nfs/dbraw/zinc/46/58/68/960465868.db2.gz LSTKRWOMONMIPE-DRZSPHRISA-N 0 3 235.302 2.490 20 10 BECDHN Cc1ccc(O)c(CN2CCCCC23COC3)c1 ZINC001140621342 960467451 /nfs/dbraw/zinc/46/74/51/960467451.db2.gz XUQXRXORAUKXIZ-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(O)c(CN2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001140619723 960467725 /nfs/dbraw/zinc/46/77/25/960467725.db2.gz LSTKRWOMONMIPE-WCFLWFBJSA-N 0 3 235.302 2.490 20 10 BECDHN Cc1ccc(C[N@@H+](CCCO)C(C)C)c([O-])c1 ZINC001140950165 960744759 /nfs/dbraw/zinc/74/47/59/960744759.db2.gz SWNVBGACGDUBGH-UHFFFAOYSA-N 0 3 237.343 2.293 20 10 BECDHN Cc1ccc(C[N@H+](CCCO)C(C)C)c([O-])c1 ZINC001140950165 960744771 /nfs/dbraw/zinc/74/47/71/960744771.db2.gz SWNVBGACGDUBGH-UHFFFAOYSA-N 0 3 237.343 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC001140948075 960747857 /nfs/dbraw/zinc/74/78/57/960747857.db2.gz RTKPHWCMESFYQO-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC001140948075 960747877 /nfs/dbraw/zinc/74/78/77/960747877.db2.gz RTKPHWCMESFYQO-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCC[C@@](C)(O)C2)c([O-])c1 ZINC001140947913 960748608 /nfs/dbraw/zinc/74/86/08/960748608.db2.gz LHEKDGNQAXGDQH-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+]2CCCC[C@@](C)(O)C2)c([O-])c1 ZINC001140947913 960748618 /nfs/dbraw/zinc/74/86/18/960748618.db2.gz LHEKDGNQAXGDQH-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c([O-])c1 ZINC001140947874 960749414 /nfs/dbraw/zinc/74/94/14/960749414.db2.gz JECQLHVQXMIHJL-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@]3(CCCO3)C2)c([O-])c1 ZINC001140947874 960749435 /nfs/dbraw/zinc/74/94/35/960749435.db2.gz JECQLHVQXMIHJL-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001140948354 960750173 /nfs/dbraw/zinc/75/01/73/960750173.db2.gz GFPFPIQPGQGRAT-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCCC[C@@H]2CO)c([O-])c1 ZINC001140948354 960750202 /nfs/dbraw/zinc/75/02/02/960750202.db2.gz GFPFPIQPGQGRAT-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1 ZINC001140957803 960757821 /nfs/dbraw/zinc/75/78/21/960757821.db2.gz OCDDOKXXQFIQBP-ZFWWWQNUSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H]3OCC[C@H]3C2)c([O-])c1 ZINC001140957803 960757838 /nfs/dbraw/zinc/75/78/38/960757838.db2.gz OCDDOKXXQFIQBP-ZFWWWQNUSA-N 0 3 247.338 2.311 20 10 BECDHN COc1cc([O-])c(C[N@H+](C)C(C)C)c(OC)c1 ZINC001141032058 960826001 /nfs/dbraw/zinc/82/60/01/960826001.db2.gz QKVZSPJIPZCWNO-UHFFFAOYSA-N 0 3 239.315 2.250 20 10 BECDHN COc1cc([O-])c(C[N@@H+](C)C(C)C)c(OC)c1 ZINC001141032058 960826004 /nfs/dbraw/zinc/82/60/04/960826004.db2.gz QKVZSPJIPZCWNO-UHFFFAOYSA-N 0 3 239.315 2.250 20 10 BECDHN COc1cc(C)cc(CN[C@@H](C)CF)c1O ZINC000894854968 963108567 /nfs/dbraw/zinc/10/85/67/963108567.db2.gz LMZZZAJMAJOOGG-VIFPVBQESA-N 0 3 227.279 2.157 20 10 BECDHN C[C@H]([NH2+][C@H]1COC[C@H]1C)c1cc(F)ccc1[O-] ZINC000699811819 966099276 /nfs/dbraw/zinc/09/92/76/966099276.db2.gz YJCQPLRKDRZQND-PTRXPTGYSA-N 0 3 239.290 2.217 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC001237485385 966663490 /nfs/dbraw/zinc/66/34/90/966663490.db2.gz OYJDIYOHJONIMU-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](CO)CC[C@H]1C ZINC001237485385 966663497 /nfs/dbraw/zinc/66/34/97/966663497.db2.gz OYJDIYOHJONIMU-OLZOCXBDSA-N 0 3 249.354 2.293 20 10 BECDHN CC[N@H+](Cc1ccc(O)cc1[O-])C1CC1 ZINC001204272832 966950848 /nfs/dbraw/zinc/95/08/48/966950848.db2.gz TXORZQHFXGAULM-UHFFFAOYSA-N 0 3 207.273 2.082 20 10 BECDHN CC[N@@H+](Cc1ccc(O)cc1[O-])C1CC1 ZINC001204272832 966950855 /nfs/dbraw/zinc/95/08/55/966950855.db2.gz TXORZQHFXGAULM-UHFFFAOYSA-N 0 3 207.273 2.082 20 10 BECDHN C[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204272215 966954084 /nfs/dbraw/zinc/95/40/84/966954084.db2.gz JWWPZRNSVTXMJF-JTQLQIEISA-N 0 3 221.300 2.472 20 10 BECDHN C[C@H]1CCCC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204272215 966954089 /nfs/dbraw/zinc/95/40/89/966954089.db2.gz JWWPZRNSVTXMJF-JTQLQIEISA-N 0 3 221.300 2.472 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC12CC2 ZINC001204273118 966954897 /nfs/dbraw/zinc/95/48/97/966954897.db2.gz YXLRWAKSVVHEGD-UHFFFAOYSA-N 0 3 219.284 2.226 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC12CC2 ZINC001204273118 966954900 /nfs/dbraw/zinc/95/49/00/966954900.db2.gz YXLRWAKSVVHEGD-UHFFFAOYSA-N 0 3 219.284 2.226 20 10 BECDHN [O-]c1cc(O)ccc1C[N@@H+]1CC2CCC1CC2 ZINC001204277802 966958285 /nfs/dbraw/zinc/95/82/85/966958285.db2.gz AMBOKOOUOGALTO-UHFFFAOYSA-N 0 3 233.311 2.472 20 10 BECDHN [O-]c1cc(O)ccc1C[N@H+]1CC2CCC1CC2 ZINC001204277802 966958290 /nfs/dbraw/zinc/95/82/90/966958290.db2.gz AMBOKOOUOGALTO-UHFFFAOYSA-N 0 3 233.311 2.472 20 10 BECDHN Nc1ccc(NC(=O)[C@@H](N)C2CCCCC2)cc1 ZINC001118256584 968095328 /nfs/dbraw/zinc/09/53/28/968095328.db2.gz YCLXYPWNSVYTIM-ZDUSSCGKSA-N 0 3 247.342 2.115 20 10 BECDHN Cc1cc(C[NH2+]Cc2ccccc2[O-])sn1 ZINC000404463960 968893624 /nfs/dbraw/zinc/89/36/24/968893624.db2.gz RAMHJMYWWJABHS-UHFFFAOYSA-N 0 3 234.324 2.447 20 10 BECDHN Cc1cc(CNCc2ccccc2O)sn1 ZINC000404463960 968893629 /nfs/dbraw/zinc/89/36/29/968893629.db2.gz RAMHJMYWWJABHS-UHFFFAOYSA-N 0 3 234.324 2.447 20 10 BECDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)C ZINC001253764482 969379915 /nfs/dbraw/zinc/37/99/15/969379915.db2.gz CDULBUYZHGYVAB-CQSZACIVSA-N 0 3 237.343 2.231 20 10 BECDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)C ZINC001253764482 969379918 /nfs/dbraw/zinc/37/99/18/969379918.db2.gz CDULBUYZHGYVAB-CQSZACIVSA-N 0 3 237.343 2.231 20 10 BECDHN C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CO1 ZINC000402055476 970758929 /nfs/dbraw/zinc/75/89/29/970758929.db2.gz RDOZBQMQHBNPJM-JLLWLGSASA-N 0 3 233.311 2.147 20 10 BECDHN COc1ccc(N2CCCC3(CN(C)C3)C2)cc1 ZINC001276924850 973302058 /nfs/dbraw/zinc/30/20/58/973302058.db2.gz PVABUHBIBBDNJR-UHFFFAOYSA-N 0 3 246.354 2.227 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCSC1)CC2 ZINC000390801476 973943821 /nfs/dbraw/zinc/94/38/21/973943821.db2.gz ZLEGRYXTWQJXRW-GHMZBOCLSA-N 0 3 235.352 2.475 20 10 BECDHN COc1ccc(Nc2ccncc2C)c(O)c1 ZINC001174540180 976831524 /nfs/dbraw/zinc/83/15/24/976831524.db2.gz WPIQBOYJBOSTJU-UHFFFAOYSA-N 0 3 230.267 2.270 20 10 BECDHN Cc1cccc(CN2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1O ZINC001231591577 977639673 /nfs/dbraw/zinc/63/96/73/977639673.db2.gz HBDNTVHTVXYERD-AVGNSLFASA-N 0 3 235.302 2.490 20 10 BECDHN Cc1cc(C)c(CN2CCCC23COC3)c(O)c1 ZINC001231846222 977756843 /nfs/dbraw/zinc/75/68/43/977756843.db2.gz IEQPNFLBALFDKU-UHFFFAOYSA-N 0 3 247.338 2.374 20 10 BECDHN CN(Cc1cc(O)c(O)c(O)c1)CC(C)(C)C ZINC001233011482 978411339 /nfs/dbraw/zinc/41/13/39/978411339.db2.gz AMTZIUKTKVPTMJ-UHFFFAOYSA-N 0 3 239.315 2.281 20 10 BECDHN Oc1c(CN2CCC2)cccc1OC(F)(F)F ZINC001233728734 978681676 /nfs/dbraw/zinc/68/16/76/978681676.db2.gz ZQAMYFUZKUUBBI-UHFFFAOYSA-N 0 3 247.216 2.497 20 10 BECDHN CC(C)(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001235673888 979113789 /nfs/dbraw/zinc/11/37/89/979113789.db2.gz AZCPHNYWJFXSTB-CYBMUJFWSA-N 0 3 249.354 2.256 20 10 BECDHN CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001235673888 979113794 /nfs/dbraw/zinc/11/37/94/979113794.db2.gz AZCPHNYWJFXSTB-CYBMUJFWSA-N 0 3 249.354 2.256 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCOCC1CCC1 ZINC000690483316 979542497 /nfs/dbraw/zinc/54/24/97/979542497.db2.gz DKCHYLWDUSMLGI-UHFFFAOYSA-N 0 3 235.327 2.299 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001236782301 979731805 /nfs/dbraw/zinc/73/18/05/979731805.db2.gz AHHKKPWSWFDNCV-RISCZKNCSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001236782301 979731810 /nfs/dbraw/zinc/73/18/10/979731810.db2.gz AHHKKPWSWFDNCV-RISCZKNCSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1ccc(C[NH+]2CC(COC)C2)c([O-])c1 ZINC001236784288 979732968 /nfs/dbraw/zinc/73/29/68/979732968.db2.gz TZGCXBPOGHWPRS-UHFFFAOYSA-N 0 3 235.327 2.033 20 10 BECDHN CCc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001236787445 979735075 /nfs/dbraw/zinc/73/50/75/979735075.db2.gz VHBXHWGHMMVJLE-BETUJISGSA-N 0 3 217.312 2.406 20 10 BECDHN CCc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001236787445 979735079 /nfs/dbraw/zinc/73/50/79/979735079.db2.gz VHBXHWGHMMVJLE-BETUJISGSA-N 0 3 217.312 2.406 20 10 BECDHN COc1cc(C)c(C[NH+]2CC(C)C2)c([O-])c1 ZINC001236812638 979747599 /nfs/dbraw/zinc/74/75/99/979747599.db2.gz AJFBUALCCOHEDT-UHFFFAOYSA-N 0 3 221.300 2.161 20 10 BECDHN CC[C@H]([NH3+])CN(C)Cc1c([O-])cccc1Cl ZINC001236869925 979776201 /nfs/dbraw/zinc/77/62/01/979776201.db2.gz ZPZROIBACMYBBE-VIFPVBQESA-N 0 3 242.750 2.215 20 10 BECDHN CC(C)c1ccc(C[NH+]2CCC(O)CC2)c([O-])c1 ZINC001237048193 979812791 /nfs/dbraw/zinc/81/27/91/979812791.db2.gz QZCCDVMYSVSLMQ-UHFFFAOYSA-N 0 3 249.354 2.472 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001237486238 979910254 /nfs/dbraw/zinc/91/02/54/979910254.db2.gz ZJSUBBPLMZCCPP-DOMZBBRYSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@](C)(O)C1 ZINC001237486238 979910248 /nfs/dbraw/zinc/91/02/48/979910248.db2.gz ZJSUBBPLMZCCPP-DOMZBBRYSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)C[C@@H]1C ZINC001237487125 979916019 /nfs/dbraw/zinc/91/60/19/979916019.db2.gz GSCRVIPWGAUKRD-NWDGAFQWSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)C[C@@H]1C ZINC001237487125 979916031 /nfs/dbraw/zinc/91/60/31/979916031.db2.gz GSCRVIPWGAUKRD-NWDGAFQWSA-N 0 3 235.327 2.046 20 10 BECDHN CN1CC=C(c2ccc3c(c2)OCCN3C)CC1 ZINC001241321752 982480843 /nfs/dbraw/zinc/48/08/43/982480843.db2.gz CVGTVNMRIDMKKT-UHFFFAOYSA-N 0 3 244.338 2.234 20 10 BECDHN Oc1ccc(CN2CCC[C@H](F)CC2)cc1O ZINC001203875506 982560458 /nfs/dbraw/zinc/56/04/58/982560458.db2.gz OEFSMUJVCBOYOE-NSHDSACASA-N 0 3 239.290 2.422 20 10 BECDHN CO[C@H]1CC[C@H](C)[N@H+](Cc2ccccc2[O-])C1 ZINC000687213437 985267527 /nfs/dbraw/zinc/26/75/27/985267527.db2.gz WABOOYGSNSVHGW-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN CO[C@H]1CC[C@H](C)[N@@H+](Cc2ccccc2[O-])C1 ZINC000687213437 985267549 /nfs/dbraw/zinc/26/75/49/985267549.db2.gz WABOOYGSNSVHGW-AAEUAGOBSA-N 0 3 235.327 2.392 20 10 BECDHN CN(C)[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001116505511 987609013 /nfs/dbraw/zinc/60/90/13/987609013.db2.gz IOUAGAUWFAFPGR-ZIAGYGMSSA-N 0 3 248.370 2.355 20 10 BECDHN O=c1cc(CN2Cc3cccc(O)c3C2)cc[nH]1 ZINC001621490682 1170829709 /nfs/dbraw/zinc/82/97/09/1170829709.db2.gz IMLQJKMSRGTNBR-UHFFFAOYSA-N 0 3 242.278 2.009 20 10 BECDHN O=c1cc(C[N@@H+]2Cc3cccc([O-])c3C2)cc[nH]1 ZINC001621490682 1170829712 /nfs/dbraw/zinc/82/97/12/1170829712.db2.gz IMLQJKMSRGTNBR-UHFFFAOYSA-N 0 3 242.278 2.009 20 10 BECDHN O=c1cc(C[N@H+]2Cc3cccc([O-])c3C2)cc[nH]1 ZINC001621490682 1170829718 /nfs/dbraw/zinc/82/97/18/1170829718.db2.gz IMLQJKMSRGTNBR-UHFFFAOYSA-N 0 3 242.278 2.009 20 10 BECDHN Cc1nnsc1CNCc1cc(C)ccc1O ZINC000291782627 398188855 /nfs/dbraw/zinc/18/88/55/398188855.db2.gz UZZLWSDDUWYGRT-UHFFFAOYSA-N 0 3 249.339 2.150 20 10 BECDHN Cc1cc([O-])c(C[NH+]2CCC(C)(O)CC2)cc1C ZINC000177188047 178195129 /nfs/dbraw/zinc/19/51/29/178195129.db2.gz HUFXKYSTZNYLKH-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](O)[C@H]2C)cc1C ZINC000294697754 178195517 /nfs/dbraw/zinc/19/55/17/178195517.db2.gz AZFALOCZIFZPID-TZMCWYRMSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)[C@H]2C)cc1C ZINC000294697754 178195518 /nfs/dbraw/zinc/19/55/18/178195518.db2.gz AZFALOCZIFZPID-TZMCWYRMSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCCOC2)cc1C ZINC000237761984 178196718 /nfs/dbraw/zinc/19/67/18/178196718.db2.gz JORUDLVLSGDTHZ-CYBMUJFWSA-N 0 3 235.327 2.278 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@H]2CC[C@@H](O)C2)cc1C ZINC000188829800 178197066 /nfs/dbraw/zinc/19/70/66/178197066.db2.gz RPJVHIXYONRMCG-GXTWGEPZSA-N 0 3 249.354 2.260 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)CN(C)C)cc1C ZINC000290077300 178197708 /nfs/dbraw/zinc/19/77/08/178197708.db2.gz IOTJSACWHBZYAT-LBPRGKRZSA-N 0 3 236.359 2.049 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCOC[C@@H](C)C2)c1 ZINC000370053959 398249733 /nfs/dbraw/zinc/24/97/33/398249733.db2.gz SJSXARGRTSVTGK-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCOC[C@@H](C)C2)c1 ZINC000370053959 398249737 /nfs/dbraw/zinc/24/97/37/398249737.db2.gz SJSXARGRTSVTGK-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)O)c1 ZINC000083461145 398282257 /nfs/dbraw/zinc/28/22/57/398282257.db2.gz XWFFYJVJDBYLFC-SNVBAGLBSA-N 0 3 223.316 2.122 20 10 BECDHN CCCCOCC[NH2+]Cc1ccccc1[O-] ZINC000040506120 343405560 /nfs/dbraw/zinc/40/55/60/343405560.db2.gz MBWRUFZYNOPBQA-UHFFFAOYSA-N 0 3 223.316 2.299 20 10 BECDHN CC(C)(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042880341 343456659 /nfs/dbraw/zinc/45/66/59/343456659.db2.gz MARRFLGQKKTPLN-UHFFFAOYSA-N 0 3 237.299 2.257 20 10 BECDHN Cc1ccc([O-])c2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](C)O ZINC000035601679 178806268 /nfs/dbraw/zinc/80/62/68/178806268.db2.gz IBTYYXHVEPNRAW-MXWKQRLJSA-N 0 3 235.327 2.219 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000093483086 345673453 /nfs/dbraw/zinc/67/34/53/345673453.db2.gz VOZIKSISFUZGII-OCCSQVGLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@@H](C)O)c1 ZINC000093483086 345673454 /nfs/dbraw/zinc/67/34/54/345673454.db2.gz VOZIKSISFUZGII-OCCSQVGLSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC23CCOCC3)c1[O-] ZINC000369327835 179074724 /nfs/dbraw/zinc/07/47/24/179074724.db2.gz WVDUSNUPIJCWSK-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[N@H+]2CCC23CCOCC3)c1[O-] ZINC000369327835 179074727 /nfs/dbraw/zinc/07/47/27/179074727.db2.gz WVDUSNUPIJCWSK-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc(C[NH+]2CC([C@@H]3CCOC3)C2)c1[O-] ZINC000366249385 179073836 /nfs/dbraw/zinc/07/38/36/179073836.db2.gz JUNVWCFJYBZLEO-CYBMUJFWSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc(CN2CCO[C@H](C3CC3)C2)c1O ZINC000364520162 179078969 /nfs/dbraw/zinc/07/89/69/179078969.db2.gz KMEDKWCMKXQIOD-AWEZNQCLSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000369683745 179081674 /nfs/dbraw/zinc/08/16/74/179081674.db2.gz ONNJJAOVYQQHCC-GXTWGEPZSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H]3OCC[C@H]3C2)c1[O-] ZINC000369683745 179081675 /nfs/dbraw/zinc/08/16/75/179081675.db2.gz ONNJJAOVYQQHCC-GXTWGEPZSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc(C[NH2+]CC(C)(C)CCO)c1[O-] ZINC000224874652 179089705 /nfs/dbraw/zinc/08/97/05/179089705.db2.gz VRDBVTYRVRRNPO-UHFFFAOYSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2C)c1[O-] ZINC000277321570 179098019 /nfs/dbraw/zinc/09/80/19/179098019.db2.gz CCTNLAPLZLNPTK-DGCLKSJQSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1cccc(C[NH2+]CCOCC2CC2)c1[O-] ZINC000224808757 179092602 /nfs/dbraw/zinc/09/26/02/179092602.db2.gz SJPSFYCOGNCOOD-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](C)Cn2ccnc2)c1[O-] ZINC000124706224 179094889 /nfs/dbraw/zinc/09/48/89/179094889.db2.gz LKLFKRRNTDMIMV-LBPRGKRZSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCCC[C@H]2O)c1[O-] ZINC000124815512 179098698 /nfs/dbraw/zinc/09/86/98/179098698.db2.gz QHQJOAWDEDELMV-CHWSQXEVSA-N 0 3 235.327 2.094 20 10 BECDHN Cc1cccc(CN[C@H](C)c2cn[nH]c2)c1O ZINC000224934905 179100262 /nfs/dbraw/zinc/10/02/62/179100262.db2.gz CCDAFDCIBQTBSW-SNVBAGLBSA-N 0 3 231.299 2.275 20 10 BECDHN Cc1cccc(C[NH2+][C@H](CCO)C(C)C)c1[O-] ZINC000224869075 179101009 /nfs/dbraw/zinc/10/10/09/179101009.db2.gz DCKXOXQKPPXKES-CYBMUJFWSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1cccc(C[NH2+][C@H]2CCOC[C@H]2C)c1[O-] ZINC000277321582 179101978 /nfs/dbraw/zinc/10/19/78/179101978.db2.gz CCTNLAPLZLNPTK-YPMHNXCESA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ncsc1C[NH2+]Cc1ccccc1[O-] ZINC000070836506 180322585 /nfs/dbraw/zinc/32/25/85/180322585.db2.gz YUBBLPORWGONJG-UHFFFAOYSA-N 0 3 234.324 2.447 20 10 BECDHN CO[C@H](C[NH2+]Cc1cc(C)ccc1[O-])C(C)C ZINC000072924444 351762064 /nfs/dbraw/zinc/76/20/64/351762064.db2.gz NWHODWWSIVFQIJ-CQSZACIVSA-N 0 3 237.343 2.461 20 10 BECDHN CC1(C)CCC[C@@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000293064970 352338334 /nfs/dbraw/zinc/33/83/34/352338334.db2.gz UZADPBQCXKVGDJ-OAHLLOKOSA-N 0 3 249.354 2.423 20 10 BECDHN CN(C)c1ccc(CN(C)C2CC2)cc1F ZINC000271094858 188199298 /nfs/dbraw/zinc/19/92/98/188199298.db2.gz YBNPYMXMOBQLDA-UHFFFAOYSA-N 0 3 222.307 2.486 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCOC[C@@H]2C)c1 ZINC000285418327 188207818 /nfs/dbraw/zinc/20/78/18/188207818.db2.gz GKLPDXROKHJVHF-QWHCGFSZSA-N 0 3 249.354 2.463 20 10 BECDHN CO[C@@H](C)C[N@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000285164917 188208715 /nfs/dbraw/zinc/20/87/15/188208715.db2.gz PUBCRHYWBMOPMV-LBPRGKRZSA-N 0 3 237.343 2.476 20 10 BECDHN CO[C@@H](C)C[N@@H+](C)Cc1cc(C)c(C)cc1[O-] ZINC000285164917 188208716 /nfs/dbraw/zinc/20/87/16/188208716.db2.gz PUBCRHYWBMOPMV-LBPRGKRZSA-N 0 3 237.343 2.476 20 10 BECDHN CO[C@H](C[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000293735983 541302665 /nfs/dbraw/zinc/30/26/65/541302665.db2.gz VIAJOUJIRMKQKR-CYBMUJFWSA-N 0 3 239.290 2.046 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCCCO)CC2 ZINC000296322989 183047040 /nfs/dbraw/zinc/04/70/40/183047040.db2.gz FWBPZRDUULDYMY-LBPRGKRZSA-N 0 3 235.327 2.132 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)CC2 ZINC000296620000 183125631 /nfs/dbraw/zinc/12/56/31/183125631.db2.gz WUALKGLSXGNAQC-KGYLQXTDSA-N 0 3 247.338 2.130 20 10 BECDHN CCC[N@H+](CCCCO)Cc1ccccc1[O-] ZINC000264083595 169153432 /nfs/dbraw/zinc/15/34/32/169153432.db2.gz FDXYHNJFLNLFOZ-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN CCC[N@@H+](CCCCO)Cc1ccccc1[O-] ZINC000264083595 169153435 /nfs/dbraw/zinc/15/34/35/169153435.db2.gz FDXYHNJFLNLFOZ-UHFFFAOYSA-N 0 3 237.343 2.377 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1CCCO1)CC2 ZINC000295939104 183298294 /nfs/dbraw/zinc/29/82/94/183298294.db2.gz KTUUCZHGLYYODG-VXGBXAGGSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCCSCC1 ZINC000273408008 183301063 /nfs/dbraw/zinc/30/10/63/183301063.db2.gz NSFCYBBMZZJQTA-UHFFFAOYSA-N 0 3 223.341 2.331 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCCSCC1 ZINC000273408008 183301066 /nfs/dbraw/zinc/30/10/66/183301066.db2.gz NSFCYBBMZZJQTA-UHFFFAOYSA-N 0 3 223.341 2.331 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCc1nccs1 ZINC000060942187 183303601 /nfs/dbraw/zinc/30/36/01/183303601.db2.gz DMNMGDLVEDEEEV-UHFFFAOYSA-N 0 3 234.324 2.181 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1ccccc1 ZINC000035601343 183303990 /nfs/dbraw/zinc/30/39/90/183303990.db2.gz DUOBTLZXSMLYCD-OAHLLOKOSA-N 0 3 243.306 2.215 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1ccccc1 ZINC000035601344 183304086 /nfs/dbraw/zinc/30/40/86/183304086.db2.gz DUOBTLZXSMLYCD-HNNXBMFYSA-N 0 3 243.306 2.215 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000271460097 169179027 /nfs/dbraw/zinc/17/90/27/169179027.db2.gz WVFHKQSXHVFYAL-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000271460097 169179030 /nfs/dbraw/zinc/17/90/30/169179030.db2.gz WVFHKQSXHVFYAL-CYBMUJFWSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)N(C)C2CC2)c1 ZINC000113337410 383977760 /nfs/dbraw/zinc/97/77/60/383977760.db2.gz QEFDVKZAXWAFMX-GFCCVEGCSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1ccc(O)c([C@@H](C)NCc2cnn(C)c2)c1 ZINC000041159112 384180030 /nfs/dbraw/zinc/18/00/30/384180030.db2.gz XFTCEUDPEIYBQT-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc(O)c([C@H](C)NCc2cnn(C)c2)c1 ZINC000041159114 384180906 /nfs/dbraw/zinc/18/09/06/384180906.db2.gz XFTCEUDPEIYBQT-NSHDSACASA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCn2ccnc2)c([O-])c1 ZINC000041119320 384181336 /nfs/dbraw/zinc/18/13/36/384181336.db2.gz WVDWYIJQGKEYLA-GFCCVEGCSA-N 0 3 245.326 2.248 20 10 BECDHN Cc1ccc(O)c(CN2CCO[C@H](C)[C@@H]2C)c1 ZINC000093418536 384206230 /nfs/dbraw/zinc/20/62/30/384206230.db2.gz FSAMJJLJURAKTH-NWDGAFQWSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1ccc(O)c(CN2CCOC3(CCC3)C2)c1 ZINC000093640519 384255042 /nfs/dbraw/zinc/25/50/42/384255042.db2.gz PTAULWQVVHHRGI-UHFFFAOYSA-N 0 3 247.338 2.456 20 10 BECDHN C[C@H]([NH2+]CCn1ccnc1)c1cc(F)ccc1[O-] ZINC000094617845 384306200 /nfs/dbraw/zinc/30/62/00/384306200.db2.gz XUJFASIECMZWSH-JTQLQIEISA-N 0 3 249.289 2.079 20 10 BECDHN CC[C@H](CCO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000094948287 384321376 /nfs/dbraw/zinc/32/13/76/384321376.db2.gz DCAHEKRURAUZJV-VXGBXAGGSA-N 0 3 237.343 2.451 20 10 BECDHN CC[C@@H](CCO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000094948286 384321808 /nfs/dbraw/zinc/32/18/08/384321808.db2.gz DCAHEKRURAUZJV-NEPJUHHUSA-N 0 3 237.343 2.451 20 10 BECDHN COCC[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000078638591 384454880 /nfs/dbraw/zinc/45/48/80/384454880.db2.gz HQYGFJTVCVDFIV-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCO1 ZINC000161304402 384480002 /nfs/dbraw/zinc/48/00/02/384480002.db2.gz IACBNKOVEXWZRD-ZYHUDNBSSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CCCO1)c1ccccc1[O-] ZINC000019963527 384562119 /nfs/dbraw/zinc/56/21/19/384562119.db2.gz YZURDEZFFUJSAQ-WDEREUQCSA-N 0 3 221.300 2.222 20 10 BECDHN CC[C@@H]([NH2+]CCCOC)c1ccccc1[O-] ZINC000020142593 384584831 /nfs/dbraw/zinc/58/48/31/384584831.db2.gz XLGBGNGBGSLVPB-GFCCVEGCSA-N 0 3 223.316 2.469 20 10 BECDHN CC[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020196021 384597453 /nfs/dbraw/zinc/59/74/53/384597453.db2.gz KWMQUUMVXOUONX-GHMZBOCLSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCCO1 ZINC000020206257 384599332 /nfs/dbraw/zinc/59/93/32/384599332.db2.gz ONTDIZSHVIFUJR-GWCFXTLKSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCCO1 ZINC000020206263 384599544 /nfs/dbraw/zinc/59/95/44/384599544.db2.gz ONTDIZSHVIFUJR-GXFFZTMASA-N 0 3 221.300 2.049 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCCN2C)c1 ZINC000185141743 384683580 /nfs/dbraw/zinc/68/35/80/384683580.db2.gz UEWHOJXVDZKZDF-QWHCGFSZSA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H]2CCCN2C)c1 ZINC000185141689 384683647 /nfs/dbraw/zinc/68/36/47/384683647.db2.gz UEWHOJXVDZKZDF-OLZOCXBDSA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H]2CCCN2C)c([O-])c1 ZINC000185142391 384683741 /nfs/dbraw/zinc/68/37/41/384683741.db2.gz FUUUGZLVNKOWJO-QWHCGFSZSA-N 0 3 248.370 2.445 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)CCn2cccn2)c1 ZINC000125312864 384710520 /nfs/dbraw/zinc/71/05/20/384710520.db2.gz HMLVRFVXPGIMLI-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)CCn2cccn2)c1 ZINC000125312864 384710527 /nfs/dbraw/zinc/71/05/27/384710527.db2.gz HMLVRFVXPGIMLI-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1ccc(O)c(CN(C)CCn2cccn2)c1 ZINC000125312864 384710532 /nfs/dbraw/zinc/71/05/32/384710532.db2.gz HMLVRFVXPGIMLI-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN CCN(C)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000054110017 384820647 /nfs/dbraw/zinc/82/06/47/384820647.db2.gz ZNRGFLUROQHIOC-LBPRGKRZSA-N 0 3 236.359 2.303 20 10 BECDHN C[C@H]([NH2+]CCc1cn[nH]c1)c1ccccc1[O-] ZINC000289632292 384955541 /nfs/dbraw/zinc/95/55/41/384955541.db2.gz FGGROONZLBNIIV-JTQLQIEISA-N 0 3 231.299 2.009 20 10 BECDHN Cc1c(CNCc2cc(C)ccc2O)cnn1C ZINC000156610017 384908534 /nfs/dbraw/zinc/90/85/34/384908534.db2.gz PMHNJGOMHPYTBK-UHFFFAOYSA-N 0 3 245.326 2.032 20 10 BECDHN C[C@@H]([NH2+]C[C@@H](C)CCO)c1ccccc1[O-] ZINC000085125562 384919697 /nfs/dbraw/zinc/91/96/97/384919697.db2.gz YKGXBPIJHKKXTB-WDEREUQCSA-N 0 3 223.316 2.061 20 10 BECDHN C[C@H]([NH2+]CCc1cnn(C)c1)c1ccccc1[O-] ZINC000128145421 385005150 /nfs/dbraw/zinc/00/51/50/385005150.db2.gz MDEJCCYBEJGEPX-NSHDSACASA-N 0 3 245.326 2.019 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@H](CO)CC2)c1 ZINC000153182237 385241080 /nfs/dbraw/zinc/24/10/80/385241080.db2.gz CBVSSYCSQRCBTH-XBXGTLAGSA-N 0 3 249.354 2.341 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000153881674 385288423 /nfs/dbraw/zinc/28/84/23/385288423.db2.gz RZTWJKZVTFVPFA-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCOC1 ZINC000153881674 385288426 /nfs/dbraw/zinc/28/84/26/385288426.db2.gz RZTWJKZVTFVPFA-GFCCVEGCSA-N 0 3 235.327 2.251 20 10 BECDHN CO[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000191206411 385293473 /nfs/dbraw/zinc/29/34/73/385293473.db2.gz HSHNDXZTHAETJO-QWRGUYRKSA-N 0 3 223.316 2.386 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)CN(C)C)c1ccccc1[O-] ZINC000168723171 385383962 /nfs/dbraw/zinc/38/39/62/385383962.db2.gz PQKSKGXSRNBRPX-AAEUAGOBSA-N 0 3 236.359 2.383 20 10 BECDHN CCC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168772766 385385012 /nfs/dbraw/zinc/38/50/12/385385012.db2.gz UPEJDQINQRGQLU-GXSJLCMTSA-N 0 3 241.306 2.343 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](O)C(C)C)c1 ZINC000168775128 385385873 /nfs/dbraw/zinc/38/58/73/385385873.db2.gz SSDWPECDKFPJQJ-SMDDNHRTSA-N 0 3 237.343 2.368 20 10 BECDHN CC[C@@H]([NH2+]CCCCO)c1ccccc1[O-] ZINC000193279301 385391159 /nfs/dbraw/zinc/39/11/59/385391159.db2.gz HOPTYMMIADGEQZ-GFCCVEGCSA-N 0 3 223.316 2.205 20 10 BECDHN CO[C@@H](C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000182426719 385443645 /nfs/dbraw/zinc/44/36/45/385443645.db2.gz HPMVCCNCJQWQST-VHSXEESVSA-N 0 3 209.289 2.078 20 10 BECDHN CO[C@H](C)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000182426701 385443834 /nfs/dbraw/zinc/44/38/34/385443834.db2.gz HPMVCCNCJQWQST-ZJUUUORDSA-N 0 3 209.289 2.078 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CC(C)(C)O)c1 ZINC000295138215 385459578 /nfs/dbraw/zinc/45/95/78/385459578.db2.gz ZDVFIHSUOVGFFD-NSHDSACASA-N 0 3 237.343 2.340 20 10 BECDHN CCCC[N@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000270997662 385770455 /nfs/dbraw/zinc/77/04/55/385770455.db2.gz JZSTVPZBSGEXON-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN CCCC[N@@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000270997662 385770459 /nfs/dbraw/zinc/77/04/59/385770459.db2.gz JZSTVPZBSGEXON-UHFFFAOYSA-N 0 3 237.343 2.295 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)C ZINC000283867136 385837487 /nfs/dbraw/zinc/83/74/87/385837487.db2.gz IEACBWKYGJHBEJ-ZDUSSCGKSA-N 0 3 237.343 2.231 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C(C)(C)C ZINC000283867136 385837490 /nfs/dbraw/zinc/83/74/90/385837490.db2.gz IEACBWKYGJHBEJ-ZDUSSCGKSA-N 0 3 237.343 2.231 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H](C)O)c([O-])c1 ZINC000283993285 385843507 /nfs/dbraw/zinc/84/35/07/385843507.db2.gz HLKMARQFVMYXQZ-MNOVXSKESA-N 0 3 223.316 2.040 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCOC[C@@H]2C)c1 ZINC000285418328 385925270 /nfs/dbraw/zinc/92/52/70/385925270.db2.gz GKLPDXROKHJVHF-STQMWFEESA-N 0 3 249.354 2.463 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)CO)c([O-])c1C ZINC000273399459 385994051 /nfs/dbraw/zinc/99/40/51/385994051.db2.gz MTAWWMCLWVFSGJ-CABZTGNLSA-N 0 3 237.343 2.288 20 10 BECDHN C[C@@]1([NH2+]Cc2ccccc2[O-])CCO[C@@H]1C1CC1 ZINC000273057724 385964245 /nfs/dbraw/zinc/96/42/45/385964245.db2.gz DKXYRUXQJSLAII-HUUCEWRRSA-N 0 3 247.338 2.439 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275971324 386258592 /nfs/dbraw/zinc/25/85/92/386258592.db2.gz LSQZGWRPVLVRAD-AWEZNQCLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](O)C(C)(C)C2)c1 ZINC000275971324 386258597 /nfs/dbraw/zinc/25/85/97/386258597.db2.gz LSQZGWRPVLVRAD-AWEZNQCLSA-N 0 3 249.354 2.293 20 10 BECDHN CCC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226608117 386344955 /nfs/dbraw/zinc/34/49/55/386344955.db2.gz CWMKZLWBCIXHCL-ZDUSSCGKSA-N 0 3 241.306 2.172 20 10 BECDHN Cc1ccc([C@H](O)C[NH2+]Cc2ccccc2[O-])o1 ZINC000265962881 386386168 /nfs/dbraw/zinc/38/61/68/386386168.db2.gz JKRJGFCOBOPYIX-CYBMUJFWSA-N 0 3 247.294 2.117 20 10 BECDHN C[C@@H](O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000228042079 386535903 /nfs/dbraw/zinc/53/59/03/386535903.db2.gz MIAXFEBYQZCSHP-GHMZBOCLSA-N 0 3 223.316 2.204 20 10 BECDHN C[C@H](O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228042064 386536049 /nfs/dbraw/zinc/53/60/49/386536049.db2.gz MIAXFEBYQZCSHP-QWRGUYRKSA-N 0 3 223.316 2.204 20 10 BECDHN Cc1ccc(O)c(CN2CCO[C@@H]3CCC[C@H]32)c1 ZINC000228143540 386547067 /nfs/dbraw/zinc/54/70/67/386547067.db2.gz MHDYCQOOTFZYHX-UKRRQHHQSA-N 0 3 247.338 2.454 20 10 BECDHN CO[C@H](C)C[NH2+]Cc1cc(Cl)cc(C)c1[O-] ZINC000191203861 386774219 /nfs/dbraw/zinc/77/42/19/386774219.db2.gz KFCFFPLMFWGSAL-SECBINFHSA-N 0 3 243.734 2.479 20 10 BECDHN CO[C@@H](C)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000191651262 387038941 /nfs/dbraw/zinc/03/89/41/387038941.db2.gz YLBPQGDIDJNASS-AXFHLTTASA-N 0 3 223.316 2.466 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373328981 387357458 /nfs/dbraw/zinc/35/74/58/387357458.db2.gz SWBPLNNSFFBFEF-OAHLLOKOSA-N 0 3 247.338 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@](O)(C3CC3)C2)c1 ZINC000373328981 387357463 /nfs/dbraw/zinc/35/74/63/387357463.db2.gz SWBPLNNSFFBFEF-OAHLLOKOSA-N 0 3 247.338 2.047 20 10 BECDHN C[NH+](C)Cc1c([O-])cccc1Br ZINC000575553063 387655809 /nfs/dbraw/zinc/65/58/09/387655809.db2.gz UDCWEPRMJQEUHU-UHFFFAOYSA-N 0 3 230.105 2.216 20 10 BECDHN C[C@H]([NH2+]CC12CC(C1)CO2)c1ccccc1[O-] ZINC000527985280 387802126 /nfs/dbraw/zinc/80/21/26/387802126.db2.gz UQLMRCGGNXMFPJ-IFQILLTASA-N 0 3 233.311 2.222 20 10 BECDHN Cc1cc(C)c([C@@H](C)[NH2+]CC2COC2)c([O-])c1 ZINC000528024276 387828283 /nfs/dbraw/zinc/82/82/83/387828283.db2.gz DQKWGJHQZPLLNT-LLVKDONJSA-N 0 3 235.327 2.306 20 10 BECDHN CC[C@@H]([NH2+]CC1COC1)c1ccc(C)cc1[O-] ZINC000528025945 387830708 /nfs/dbraw/zinc/83/07/08/387830708.db2.gz HDZXJYYWFLSBKR-CYBMUJFWSA-N 0 3 235.327 2.388 20 10 BECDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])CN(C)C ZINC000293688647 388390725 /nfs/dbraw/zinc/39/07/25/388390725.db2.gz NQBQNBAREJFAMS-NEPJUHHUSA-N 0 3 236.359 2.241 20 10 BECDHN CO[C@@H](C)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296331518 388422170 /nfs/dbraw/zinc/42/21/70/388422170.db2.gz GHQWYFYOBOSRCE-ONGXEEELSA-N 0 3 221.300 2.004 20 10 BECDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)c1cn[nH]c1 ZINC000296670248 388425529 /nfs/dbraw/zinc/42/55/29/388425529.db2.gz FUMUVMUVZLREHZ-JOYOIKCWSA-N 0 3 243.310 2.453 20 10 BECDHN CC[C@@H](CCO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297625791 388430510 /nfs/dbraw/zinc/43/05/10/388430510.db2.gz JBYNRZCFBRIEAH-AAEUAGOBSA-N 0 3 249.354 2.378 20 10 BECDHN CO[C@@H](C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297895358 388432341 /nfs/dbraw/zinc/43/23/41/388432341.db2.gz VTXSENWHPXGHSF-JQWIXIFHSA-N 0 3 235.327 2.394 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC2=CCCOC2)c1 ZINC000288463190 388626543 /nfs/dbraw/zinc/62/65/43/388626543.db2.gz OHKSCJSBSZIGHH-UHFFFAOYSA-N 0 3 233.311 2.137 20 10 BECDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000226582834 388722812 /nfs/dbraw/zinc/72/28/12/388722812.db2.gz XVBWHDFLNWSPBQ-QMMMGPOBSA-N 0 3 209.264 2.419 20 10 BECDHN CO[C@H](C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000272522306 389032848 /nfs/dbraw/zinc/03/28/48/389032848.db2.gz YKTRILOPKLIHJR-SECBINFHSA-N 0 3 227.279 2.046 20 10 BECDHN C[C@@H]([NH2+]CCC(C)(C)O)c1ccccc1[O-] ZINC000271654868 389024127 /nfs/dbraw/zinc/02/41/27/389024127.db2.gz JTNBRKRILSXZLA-SNVBAGLBSA-N 0 3 223.316 2.204 20 10 BECDHN CO[C@@H](C[NH2+]Cc1cccc(C)c1[O-])C(C)C ZINC000271829522 389026101 /nfs/dbraw/zinc/02/61/01/389026101.db2.gz OKQVTIWAGXLUQD-ZDUSSCGKSA-N 0 3 237.343 2.461 20 10 BECDHN C[C@@H]([NH2+]C[C@H](O)C(C)(C)C)c1ccccc1[O-] ZINC000272852009 389035769 /nfs/dbraw/zinc/03/57/69/389035769.db2.gz LFZGVSFFMAODJK-MFKMUULPSA-N 0 3 237.343 2.450 20 10 BECDHN Oc1ccccc1CN1CCOC[C@@H]1C1CC1 ZINC000179579756 134321861 /nfs/dbraw/zinc/32/18/61/134321861.db2.gz FEEPRHYCMMLXMB-CYBMUJFWSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000179583411 134322285 /nfs/dbraw/zinc/32/22/85/134322285.db2.gz PWSMUMVJBPUESG-CQSZACIVSA-N 0 3 233.311 2.005 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@]2(CCOC2)C1 ZINC000179583411 134322286 /nfs/dbraw/zinc/32/22/86/134322286.db2.gz PWSMUMVJBPUESG-CQSZACIVSA-N 0 3 233.311 2.005 20 10 BECDHN C/C=C/C[C@H](CO)NCc1ccc2c(c1)CCO2 ZINC000185817012 397873636 /nfs/dbraw/zinc/87/36/36/397873636.db2.gz UTIXBKVNHGVLPO-BAABZTOOSA-N 0 3 247.338 2.038 20 10 BECDHN CCSCC[NH2+]Cc1ccccc1[O-] ZINC000162959595 397960241 /nfs/dbraw/zinc/96/02/41/397960241.db2.gz QGKGJCHURJQHNF-UHFFFAOYSA-N 0 3 211.330 2.235 20 10 BECDHN CC[C@@H]([NH2+]CCCN(C)C)c1ccccc1[O-] ZINC000019958962 397962873 /nfs/dbraw/zinc/96/28/73/397962873.db2.gz BJATZLCDFDOTLG-CYBMUJFWSA-N 0 3 236.359 2.385 20 10 BECDHN CC1CC([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226614221 168146912 /nfs/dbraw/zinc/14/69/12/168146912.db2.gz HIZXVMVHQSHYMS-UHFFFAOYSA-N 0 3 209.264 2.419 20 10 BECDHN CCN1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000037644122 170007693 /nfs/dbraw/zinc/00/76/93/170007693.db2.gz MDHKCSBVURRMAA-STQMWFEESA-N 0 3 248.370 2.385 20 10 BECDHN CCOCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000019962912 170381447 /nfs/dbraw/zinc/38/14/47/170381447.db2.gz KTKIOXLQWPGIJH-NSHDSACASA-N 0 3 223.316 2.469 20 10 BECDHN CCOCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000165419137 170389712 /nfs/dbraw/zinc/38/97/12/170389712.db2.gz XWXMTAURHFTZQF-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CCOCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000165419137 170389714 /nfs/dbraw/zinc/38/97/14/170389714.db2.gz XWXMTAURHFTZQF-UHFFFAOYSA-N 0 3 223.316 2.169 20 10 BECDHN CC[C@@H]1C[N@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1O ZINC000271244467 171087997 /nfs/dbraw/zinc/08/79/97/171087997.db2.gz BUTKZVBYTHHKCH-DOMZBBRYSA-N 0 3 249.354 2.212 20 10 BECDHN CC[C@@H]1C[N@@H+](Cc2cc(C)c(C)cc2[O-])C[C@@H]1O ZINC000271244467 171087999 /nfs/dbraw/zinc/08/79/99/171087999.db2.gz BUTKZVBYTHHKCH-DOMZBBRYSA-N 0 3 249.354 2.212 20 10 BECDHN CCn1cc([C@@H](C)[NH2+]Cc2ccccc2[O-])cn1 ZINC000130435172 172194475 /nfs/dbraw/zinc/19/44/75/172194475.db2.gz OYJKZWJVWBYYLT-LLVKDONJSA-N 0 3 245.326 2.459 20 10 BECDHN COCC1(NCc2ccc(N(C)C)cc2)CCC1 ZINC000284187030 174109117 /nfs/dbraw/zinc/10/91/17/174109117.db2.gz XZWVFMZWSMXOFN-UHFFFAOYSA-N 0 3 248.370 2.411 20 10 BECDHN COCCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296012556 174202769 /nfs/dbraw/zinc/20/27/69/174202769.db2.gz PAEBJFOVWQSENI-GFCCVEGCSA-N 0 3 235.327 2.396 20 10 BECDHN COCCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000044655466 174203466 /nfs/dbraw/zinc/20/34/66/174203466.db2.gz MIBWSAFSEXQKEO-LLVKDONJSA-N 0 3 223.316 2.469 20 10 BECDHN COCCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296012558 174204074 /nfs/dbraw/zinc/20/40/74/174204074.db2.gz PAEBJFOVWQSENI-LBPRGKRZSA-N 0 3 235.327 2.396 20 10 BECDHN COC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000019904571 174550773 /nfs/dbraw/zinc/55/07/73/174550773.db2.gz RCIMZZPCEAFRNX-UWVGGRQHSA-N 0 3 209.289 2.078 20 10 BECDHN CO[C@@H](C)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000191209621 174706125 /nfs/dbraw/zinc/70/61/25/174706125.db2.gz BZKFSIZQFBJAFO-WDEREUQCSA-N 0 3 223.316 2.386 20 10 BECDHN COc1ccc([O-])c(C[NH2+]CCc2ccco2)c1 ZINC000035661467 175159041 /nfs/dbraw/zinc/15/90/41/175159041.db2.gz GYLIJLMURKCCLI-UHFFFAOYSA-N 0 3 247.294 2.326 20 10 BECDHN COc1ccc(O)c(CNCc2ccccn2)c1 ZINC000020091763 175159286 /nfs/dbraw/zinc/15/92/86/175159286.db2.gz AGTATZROGIUEJM-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C(C)C)c1 ZINC000019880735 175159848 /nfs/dbraw/zinc/15/98/48/175159848.db2.gz PQBQMTFSVVWIRD-SECBINFHSA-N 0 3 209.289 2.460 20 10 BECDHN COc1ccc([O-])c([C@@H](C)[NH2+]C2CC2)c1 ZINC000021960809 175160033 /nfs/dbraw/zinc/16/00/33/175160033.db2.gz DHJMGVZTDGYGAK-MRVPVSSYSA-N 0 3 207.273 2.214 20 10 BECDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)OC)c1 ZINC000182434768 175160046 /nfs/dbraw/zinc/16/00/46/175160046.db2.gz LTLOZWOLUOYZNP-UWVGGRQHSA-N 0 3 239.315 2.086 20 10 BECDHN COc1cccc(C[N@@H+]2CCC[C@H]2C)c1[O-] ZINC000132652984 175258003 /nfs/dbraw/zinc/25/80/03/175258003.db2.gz HDDRHGVTEQDHHB-SNVBAGLBSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc(C[N@H+]2CCC[C@H]2C)c1[O-] ZINC000132652984 175258004 /nfs/dbraw/zinc/25/80/04/175258004.db2.gz HDDRHGVTEQDHHB-SNVBAGLBSA-N 0 3 221.300 2.385 20 10 BECDHN COc1cccc(C[NH2+][C@H](C)CSC)c1[O-] ZINC000076768957 175268275 /nfs/dbraw/zinc/26/82/75/175268275.db2.gz OANYDHQRQRLHNX-SECBINFHSA-N 0 3 241.356 2.242 20 10 BECDHN C[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1[O-] ZINC000278559642 176924703 /nfs/dbraw/zinc/92/47/03/176924703.db2.gz OZTIGFDMUFHJSJ-GVXVVHGQSA-N 0 3 235.327 2.468 20 10 BECDHN C[C@H]1CC[C@H](C[N@H+](C)Cc2ccccc2[O-])O1 ZINC000190860968 177200983 /nfs/dbraw/zinc/20/09/83/177200983.db2.gz RYTOPCITNQFVAQ-WCQYABFASA-N 0 3 235.327 2.392 20 10 BECDHN C[C@H]1CC[C@H](C[N@@H+](C)Cc2ccccc2[O-])O1 ZINC000190860968 177200984 /nfs/dbraw/zinc/20/09/84/177200984.db2.gz RYTOPCITNQFVAQ-WCQYABFASA-N 0 3 235.327 2.392 20 10 BECDHN C[C@H]1CN(Cc2ccccc2O)[C@@H](C)CO1 ZINC000217777415 177265848 /nfs/dbraw/zinc/26/58/48/177265848.db2.gz YBIJZSUQEIAVTR-QWRGUYRKSA-N 0 3 221.300 2.001 20 10 BECDHN C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CCN1C ZINC000179579740 177327174 /nfs/dbraw/zinc/32/71/74/177327174.db2.gz HFPNXVCRNNKZCV-JSGCOSHPSA-N 0 3 248.370 2.307 20 10 BECDHN C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CCN1C ZINC000179579740 177327176 /nfs/dbraw/zinc/32/71/76/177327176.db2.gz HFPNXVCRNNKZCV-JSGCOSHPSA-N 0 3 248.370 2.307 20 10 BECDHN C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCO1 ZINC000226617592 177370680 /nfs/dbraw/zinc/37/06/80/177370680.db2.gz STTYLWNMTUXDOR-JOYOIKCWSA-N 0 3 239.290 2.188 20 10 BECDHN C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1ccccc1[O-] ZINC000530219812 323218164 /nfs/dbraw/zinc/21/81/64/323218164.db2.gz MZUIHFKIRQTVQY-SMDDNHRTSA-N 0 3 246.354 2.327 20 10 BECDHN CC[C@H](COC)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297573468 490308303 /nfs/dbraw/zinc/30/83/03/490308303.db2.gz GUSKRBSNXONXME-VXGBXAGGSA-N 0 3 235.327 2.394 20 10 BECDHN CC[C@H](C)[NH2+]Cc1ccc(OC)c(OC)c1[O-] ZINC000892429024 582885183 /nfs/dbraw/zinc/88/51/83/582885183.db2.gz APTSKAZTKNKBDT-VIFPVBQESA-N 0 3 239.315 2.298 20 10 BECDHN CC[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000112465870 588799145 /nfs/dbraw/zinc/79/91/45/588799145.db2.gz IQRRNOGBMLZJNI-LLVKDONJSA-N 0 3 249.310 2.495 20 10 BECDHN CC[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000112465870 588799146 /nfs/dbraw/zinc/79/91/46/588799146.db2.gz IQRRNOGBMLZJNI-LLVKDONJSA-N 0 3 249.310 2.495 20 10 BECDHN C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297677348 582684438 /nfs/dbraw/zinc/68/44/38/582684438.db2.gz LITRGGGYUGOBLM-GMXVVIOVSA-N 0 3 249.354 2.376 20 10 BECDHN COCC[C@@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000840955545 583183692 /nfs/dbraw/zinc/18/36/92/583183692.db2.gz SOJSNIOKHZGSOD-LLVKDONJSA-N 0 3 223.316 2.154 20 10 BECDHN CC[C@]1(O)CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877440489 583314347 /nfs/dbraw/zinc/31/43/47/583314347.db2.gz ABUYPBIJPXSUBZ-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@]1(O)CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877440489 583314349 /nfs/dbraw/zinc/31/43/49/583314349.db2.gz ABUYPBIJPXSUBZ-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000877515513 583322110 /nfs/dbraw/zinc/32/21/10/583322110.db2.gz HRCDIAOUYCWPST-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@H+](C)[C@@H]2CCCOC2)c([O-])c1 ZINC000877515513 583322111 /nfs/dbraw/zinc/32/21/11/583322111.db2.gz HRCDIAOUYCWPST-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](C)O2)c([O-])c1 ZINC000877578858 583336262 /nfs/dbraw/zinc/33/62/62/583336262.db2.gz NZDRQTGJHUZCCL-DGCLKSJQSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CC2(C1)CCCOC2 ZINC000877580027 583336927 /nfs/dbraw/zinc/33/69/27/583336927.db2.gz DRSUKYSJFODVLW-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN COc1ccc(C[NH2+][C@@H]2CC23CC3)c([O-])c1OC ZINC000895009376 583567385 /nfs/dbraw/zinc/56/73/85/583567385.db2.gz WHQRHEVQTMLRIQ-LLVKDONJSA-N 0 3 249.310 2.052 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCCC[C@H]2CO)c([O-])c1 ZINC000895152227 583607045 /nfs/dbraw/zinc/60/70/45/583607045.db2.gz YXRNFRDDVJWVNR-AWEZNQCLSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+]2CCCCC[C@H]2CO)c([O-])c1 ZINC000895152227 583607046 /nfs/dbraw/zinc/60/70/46/583607046.db2.gz YXRNFRDDVJWVNR-AWEZNQCLSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCCC[C@@H]2CO)c([O-])c1 ZINC000895152231 583607091 /nfs/dbraw/zinc/60/70/91/583607091.db2.gz YXRNFRDDVJWVNR-CQSZACIVSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[N@H+]2CCCCC[C@@H]2CO)c([O-])c1 ZINC000895152231 583607093 /nfs/dbraw/zinc/60/70/93/583607093.db2.gz YXRNFRDDVJWVNR-CQSZACIVSA-N 0 3 249.354 2.438 20 10 BECDHN C[C@H](O)C1(NCc2ccc3c(c2)CCCO3)CC1 ZINC000895443332 583674163 /nfs/dbraw/zinc/67/41/63/583674163.db2.gz VNLMOUNHNQFZGE-NSHDSACASA-N 0 3 247.338 2.015 20 10 BECDHN Cc1ccc(C[NH2+]CCc2ccns2)c([O-])c1 ZINC000895528035 583685154 /nfs/dbraw/zinc/68/51/54/583685154.db2.gz SANUWSAZEGHJFS-UHFFFAOYSA-N 0 3 248.351 2.489 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847889 583736774 /nfs/dbraw/zinc/73/67/74/583736774.db2.gz XFGQLZLZJZRSCV-ZFWWWQNUSA-N 0 3 247.338 2.393 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895847889 583736777 /nfs/dbraw/zinc/73/67/77/583736777.db2.gz XFGQLZLZJZRSCV-ZFWWWQNUSA-N 0 3 247.338 2.393 20 10 BECDHN CCNCc1cc(F)c(N(C)C)cc1F ZINC000858088498 588931518 /nfs/dbraw/zinc/93/15/18/588931518.db2.gz HDVNEUFBMFMNMW-UHFFFAOYSA-N 0 3 214.259 2.140 20 10 BECDHN C/C=C\C[NH2+]Cc1c([O-])cccc1OC ZINC000858291390 588942366 /nfs/dbraw/zinc/94/23/66/588942366.db2.gz XPRKESUCJNHRRU-ARJAWSKDSA-N 0 3 207.273 2.067 20 10 BECDHN C/C=C/C[NH2+]Cc1cc(OCC)ccc1[O-] ZINC000858289968 588942415 /nfs/dbraw/zinc/94/24/15/588942415.db2.gz CEOXRDQRAWLCSU-HWKANZROSA-N 0 3 221.300 2.457 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2CC23CC(O)C3)cc1C ZINC000897849968 584054657 /nfs/dbraw/zinc/05/46/57/584054657.db2.gz CEVGKNOYNSTRQD-BLZCZZARSA-N 0 3 247.338 2.012 20 10 BECDHN CCc1cccc(C[NH2+]CC[C@@H](O)C2CC2)c1[O-] ZINC000898198140 584097822 /nfs/dbraw/zinc/09/78/22/584097822.db2.gz BNEYBUFHVMBUDE-CQSZACIVSA-N 0 3 249.354 2.205 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)c([O-])c1 ZINC000898377436 584113986 /nfs/dbraw/zinc/11/39/86/584113986.db2.gz VABUBLBMUOUCTF-UONOGXRCSA-N 0 3 247.338 2.215 20 10 BECDHN CC[C@H]([NH2+]CC1(N)CC1)c1ccc(C)cc1[O-] ZINC000902404876 584589216 /nfs/dbraw/zinc/58/92/16/584589216.db2.gz GMFCFNSHJVZMPI-LBPRGKRZSA-N 0 3 234.343 2.233 20 10 BECDHN Cc1ccc([C@@H](C)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c([O-])c1 ZINC000902477290 584603619 /nfs/dbraw/zinc/60/36/19/584603619.db2.gz SJXZRWSFWVZKRA-MHDGFBEUSA-N 0 3 246.354 2.244 20 10 BECDHN Cc1ccc([C@@H](C)N[C@H]2C[NH2+]CC2(C)C)c([O-])c1 ZINC000902450550 584606787 /nfs/dbraw/zinc/60/67/87/584606787.db2.gz TWKMSDFXYSGGTL-RISCZKNCSA-N 0 3 248.370 2.349 20 10 BECDHN [O-]c1ccc2ccccc2c1C[N@H+]1CC[C@@H]1CO ZINC000902628754 584646473 /nfs/dbraw/zinc/64/64/73/584646473.db2.gz DMWJLOJRKHASMP-GFCCVEGCSA-N 0 3 243.306 2.112 20 10 BECDHN [O-]c1ccc2ccccc2c1C[N@@H+]1CC[C@@H]1CO ZINC000902628754 584646474 /nfs/dbraw/zinc/64/64/74/584646474.db2.gz DMWJLOJRKHASMP-GFCCVEGCSA-N 0 3 243.306 2.112 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C)c([O-])c1C ZINC000903319421 584746474 /nfs/dbraw/zinc/74/64/74/584746474.db2.gz ZCGCARAENWWXJY-OLZOCXBDSA-N 0 3 248.370 2.364 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CCN2C)c([O-])c1 ZINC000903315894 584749567 /nfs/dbraw/zinc/74/95/67/584749567.db2.gz ABCLAERTGUNCLM-STQMWFEESA-N 0 3 248.370 2.364 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@@H](O)C1CC1)CC2 ZINC000903407484 584758826 /nfs/dbraw/zinc/75/88/26/584758826.db2.gz OPZSXGOCKDNMNV-CHWSQXEVSA-N 0 3 247.338 2.130 20 10 BECDHN C[N@H+](Cc1cc2c(cc1[O-])CCC2)[C@H]1CCOC1 ZINC000730260088 584897099 /nfs/dbraw/zinc/89/70/99/584897099.db2.gz LDYNTYJZIIURJW-AWEZNQCLSA-N 0 3 247.338 2.102 20 10 BECDHN C[N@@H+](Cc1cc2c(cc1[O-])CCC2)[C@H]1CCOC1 ZINC000730260088 584897101 /nfs/dbraw/zinc/89/71/01/584897101.db2.gz LDYNTYJZIIURJW-AWEZNQCLSA-N 0 3 247.338 2.102 20 10 BECDHN CC[N@H+](Cc1cc2c(cc1[O-])OCO2)C1CCC1 ZINC000738052086 585040607 /nfs/dbraw/zinc/04/06/07/585040607.db2.gz DYFXQUTWYRWRQS-UHFFFAOYSA-N 0 3 249.310 2.495 20 10 BECDHN CC[N@@H+](Cc1cc2c(cc1[O-])OCO2)C1CCC1 ZINC000738052086 585040608 /nfs/dbraw/zinc/04/06/08/585040608.db2.gz DYFXQUTWYRWRQS-UHFFFAOYSA-N 0 3 249.310 2.495 20 10 BECDHN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1[O-] ZINC000839131841 585094083 /nfs/dbraw/zinc/09/40/83/585094083.db2.gz PNVOFXLQLAUOGG-TXEJJXNPSA-N 0 3 231.295 2.088 20 10 BECDHN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1[O-] ZINC000839131841 585094084 /nfs/dbraw/zinc/09/40/84/585094084.db2.gz PNVOFXLQLAUOGG-TXEJJXNPSA-N 0 3 231.295 2.088 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC000839141528 585094412 /nfs/dbraw/zinc/09/44/12/585094412.db2.gz SADJTBPIYYXOJD-UHFFFAOYSA-N 0 3 247.338 2.313 20 10 BECDHN CC[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000839191842 585097532 /nfs/dbraw/zinc/09/75/32/585097532.db2.gz KPFHIXJIZAXIGF-YPMHNXCESA-N 0 3 221.300 2.049 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H]2CCCN(C)C2)cc1C ZINC000742367824 585125158 /nfs/dbraw/zinc/12/51/58/585125158.db2.gz KRKUOHKAFNODOL-AWEZNQCLSA-N 0 3 248.370 2.193 20 10 BECDHN [O-]c1cc2c(cc1C[N@@H+]1CCCOCC1)CCC2 ZINC000748073099 585186875 /nfs/dbraw/zinc/18/68/75/585186875.db2.gz RMQJVZMJBJRLLC-UHFFFAOYSA-N 0 3 247.338 2.103 20 10 BECDHN [O-]c1cc2c(cc1C[N@H+]1CCCOCC1)CCC2 ZINC000748073099 585186876 /nfs/dbraw/zinc/18/68/76/585186876.db2.gz RMQJVZMJBJRLLC-UHFFFAOYSA-N 0 3 247.338 2.103 20 10 BECDHN Oc1cc2c(cc1CN1CCCOCC1)CCC2 ZINC000748073099 585186877 /nfs/dbraw/zinc/18/68/77/585186877.db2.gz RMQJVZMJBJRLLC-UHFFFAOYSA-N 0 3 247.338 2.103 20 10 BECDHN C[C@H](O)C[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756343223 585317898 /nfs/dbraw/zinc/31/78/98/585317898.db2.gz VQRTZBFJSCXPPW-KHQFGBGNSA-N 0 3 239.290 2.050 20 10 BECDHN CC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756342845 585317970 /nfs/dbraw/zinc/31/79/70/585317970.db2.gz MCPYSGLIHWTREP-NEPJUHHUSA-N 0 3 237.343 2.431 20 10 BECDHN CC[C@H](CO)[NH2+][C@H](C)c1ccc(C)c(C)c1[O-] ZINC000756342850 585318073 /nfs/dbraw/zinc/31/80/73/585318073.db2.gz MCPYSGLIHWTREP-VXGBXAGGSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC(C)(C)O)c([O-])c1C ZINC000756564328 585321179 /nfs/dbraw/zinc/32/11/79/585321179.db2.gz SNBHJJWYIMYHHU-NSHDSACASA-N 0 3 237.343 2.431 20 10 BECDHN COc1cccc([O-])c1C[N@H+](C)CC1CC1 ZINC000768915437 585545815 /nfs/dbraw/zinc/54/58/15/585545815.db2.gz MWFFJBVVIRXFJN-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN COc1cccc([O-])c1C[N@@H+](C)CC1CC1 ZINC000768915437 585545816 /nfs/dbraw/zinc/54/58/16/585545816.db2.gz MWFFJBVVIRXFJN-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](CCCO)C2CC2)c1 ZINC000769405810 585555613 /nfs/dbraw/zinc/55/56/13/585555613.db2.gz YMIWHTGNZKSZBO-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](CCCO)C2CC2)c1 ZINC000769405810 585555614 /nfs/dbraw/zinc/55/56/14/585555614.db2.gz YMIWHTGNZKSZBO-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN OC[C@@H](NCc1ccccc1O)c1ccsc1 ZINC000769936250 585566508 /nfs/dbraw/zinc/56/65/08/585566508.db2.gz VDMPVQKVEPTCEM-GFCCVEGCSA-N 0 3 249.335 2.277 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@H](CCO)C2)c1[O-] ZINC000775681231 585683197 /nfs/dbraw/zinc/68/31/97/585683197.db2.gz NRXRLOBGRXKHOD-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@H](CCO)C2)c1[O-] ZINC000775681231 585683198 /nfs/dbraw/zinc/68/31/98/585683198.db2.gz NRXRLOBGRXKHOD-CYBMUJFWSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(C[NH2+]CCN2CC[C@H](C)C2)c1[O-] ZINC000777483036 585713527 /nfs/dbraw/zinc/71/35/27/585713527.db2.gz BTAVXPRBLIKIJT-LBPRGKRZSA-N 0 3 248.370 2.132 20 10 BECDHN C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccccc1[O-] ZINC000777824411 585720770 /nfs/dbraw/zinc/72/07/70/585720770.db2.gz FBQVPOFHWAVVHU-JSGCOSHPSA-N 0 3 248.370 2.164 20 10 BECDHN C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccccc1[O-] ZINC000777824411 585720771 /nfs/dbraw/zinc/72/07/71/585720771.db2.gz FBQVPOFHWAVVHU-JSGCOSHPSA-N 0 3 248.370 2.164 20 10 BECDHN [O-]c1ccccc1C[NH2+]Cc1ccc(F)nc1 ZINC000778165683 585726653 /nfs/dbraw/zinc/72/66/53/585726653.db2.gz POPUOMVTOPBOCY-UHFFFAOYSA-N 0 3 232.258 2.216 20 10 BECDHN COc1cc(CN2CC=CCC2)c(O)cc1C ZINC000778576270 585737353 /nfs/dbraw/zinc/73/73/53/585737353.db2.gz FNJSEUGJAXNFTR-UHFFFAOYSA-N 0 3 233.311 2.471 20 10 BECDHN COc1ccc(O)c(CN2CC=CCC2)c1 ZINC000779159399 585746109 /nfs/dbraw/zinc/74/61/09/585746109.db2.gz IOXZLEAZBZJYAO-UHFFFAOYSA-N 0 3 219.284 2.163 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H](C)C[C@@H](C)O)cc1C ZINC000782979056 585826580 /nfs/dbraw/zinc/82/65/80/585826580.db2.gz NIGLQCUOQQYPRG-NWDGAFQWSA-N 0 3 237.343 2.258 20 10 BECDHN Cc1cc(CN[C@H](C)c2ccccc2O)ncn1 ZINC000783526753 585836107 /nfs/dbraw/zinc/83/61/07/585836107.db2.gz YXUVICRJRGZEKU-LLVKDONJSA-N 0 3 243.310 2.341 20 10 BECDHN COc1cccc(C[NH+]2[C@H](C)C[C@H]2C)c1[O-] ZINC000793220813 586014350 /nfs/dbraw/zinc/01/43/50/586014350.db2.gz QREUSXHJPRCEPB-NXEZZACHSA-N 0 3 221.300 2.384 20 10 BECDHN COc1cccc([O-])c1C[NH+]1[C@H](C)C[C@H]1C ZINC000793220035 586014457 /nfs/dbraw/zinc/01/44/57/586014457.db2.gz JIQCLNFZMGQXBJ-NXEZZACHSA-N 0 3 221.300 2.384 20 10 BECDHN C[C@@H]1COCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000796496449 586105191 /nfs/dbraw/zinc/10/51/91/586105191.db2.gz AKVGTNQZDNATDA-NEPJUHHUSA-N 0 3 235.327 2.154 20 10 BECDHN CCN(C)c1ccc(CN(C)C2(CO)CC2)cc1 ZINC000815118495 586667150 /nfs/dbraw/zinc/66/71/50/586667150.db2.gz WJANBRPFUCCHLE-UHFFFAOYSA-N 0 3 248.370 2.099 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H]1C ZINC000816649131 586751764 /nfs/dbraw/zinc/75/17/64/586751764.db2.gz URQBEHJEVSLERC-NXEZZACHSA-N 0 3 221.300 2.241 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H]1C ZINC000816649131 586751765 /nfs/dbraw/zinc/75/17/65/586751765.db2.gz URQBEHJEVSLERC-NXEZZACHSA-N 0 3 221.300 2.241 20 10 BECDHN CC[C@@H]1CN(C)CC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000816660763 586752824 /nfs/dbraw/zinc/75/28/24/586752824.db2.gz OKQFGORJYQWFIX-CQSZACIVSA-N 0 3 248.370 2.227 20 10 BECDHN CC[C@@H]1CN(C)CC[N@H+]1Cc1cccc(C)c1[O-] ZINC000816660763 586752825 /nfs/dbraw/zinc/75/28/25/586752825.db2.gz OKQFGORJYQWFIX-CQSZACIVSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000817412734 586801452 /nfs/dbraw/zinc/80/14/52/586801452.db2.gz OQNWATWZPYIXPT-AAEUAGOBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](C)C[C@H](CO)C2)c1[O-] ZINC000817412734 586801453 /nfs/dbraw/zinc/80/14/53/586801453.db2.gz OQNWATWZPYIXPT-AAEUAGOBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](CO)C2)c1 ZINC000817412091 586801875 /nfs/dbraw/zinc/80/18/75/586801875.db2.gz CUOVPQMIPAVMDU-OLZOCXBDSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)C[C@H](CO)C2)c1 ZINC000817412091 586801877 /nfs/dbraw/zinc/80/18/77/586801877.db2.gz CUOVPQMIPAVMDU-OLZOCXBDSA-N 0 3 249.354 2.151 20 10 BECDHN C[C@H](NCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817934441 586843330 /nfs/dbraw/zinc/84/33/30/586843330.db2.gz ILDKMMXHQSAKON-LURJTMIESA-N 0 3 249.141 2.308 20 10 BECDHN CC[C@@H]([NH2+]C1CCNCC1)c1ccccc1[O-] ZINC000817936314 586844150 /nfs/dbraw/zinc/84/41/50/586844150.db2.gz NWMXBXHXDVLLNJ-CYBMUJFWSA-N 0 3 234.343 2.185 20 10 BECDHN CC[NH2+]CCN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817953272 586849248 /nfs/dbraw/zinc/84/92/48/586849248.db2.gz YFWWRKIXNHWRKA-VIFPVBQESA-N 0 3 242.750 2.306 20 10 BECDHN CC(C)C[C@@H](CN)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817960185 586851958 /nfs/dbraw/zinc/85/19/58/586851958.db2.gz YACWCRCXHKCWKZ-STQMWFEESA-N 0 3 248.370 2.343 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H](CN)C2CC2)c([O-])c1C ZINC000817961305 586852619 /nfs/dbraw/zinc/85/26/19/586852619.db2.gz WWXHVOJFGMUKBC-BXUZGUMPSA-N 0 3 248.370 2.397 20 10 BECDHN C[C@@H]([NH2+]CC1(N)CCC1)c1ccc(F)cc1[O-] ZINC000817965235 586854075 /nfs/dbraw/zinc/85/40/75/586854075.db2.gz RLYYPVVKDNZYMG-SECBINFHSA-N 0 3 238.306 2.063 20 10 BECDHN C[C@@H]([NH2+]CC1(N)CCC1)c1cc(F)ccc1[O-] ZINC000817965269 586854138 /nfs/dbraw/zinc/85/41/38/586854138.db2.gz SLASFNJJSCWDKU-SECBINFHSA-N 0 3 238.306 2.063 20 10 BECDHN CC[C@@H]([NH2+]CC1(N)CCC1)c1ccccc1[O-] ZINC000817964590 586854310 /nfs/dbraw/zinc/85/43/10/586854310.db2.gz FMVIZHYUMZCMGK-GFCCVEGCSA-N 0 3 234.343 2.314 20 10 BECDHN C[C@H]([NH2+][C@H]1CNCC[C@@H]1C)c1ccccc1[O-] ZINC000817967839 586856243 /nfs/dbraw/zinc/85/62/43/586856243.db2.gz MLBAJMPNWKQSPA-GVXVVHGQSA-N 0 3 234.343 2.041 20 10 BECDHN C[C@H]([NH2+][C@H]1CNCC[C@H]1C)c1ccccc1[O-] ZINC000817967842 586856272 /nfs/dbraw/zinc/85/62/72/586856272.db2.gz MLBAJMPNWKQSPA-MDZLAQPJSA-N 0 3 234.343 2.041 20 10 BECDHN CC[C@@H]([NH2+][C@@H](C)CN)c1ccc(C)cc1[O-] ZINC000817969619 586856333 /nfs/dbraw/zinc/85/63/33/586856333.db2.gz FCGAOZLJSFONCJ-CMPLNLGQSA-N 0 3 222.332 2.089 20 10 BECDHN CC[NH2+][C@H](C)CN[C@H](C)c1cc(F)ccc1[O-] ZINC000817971843 586858684 /nfs/dbraw/zinc/85/86/84/586858684.db2.gz HSKRDOBHAAUGQL-NXEZZACHSA-N 0 3 240.322 2.180 20 10 BECDHN N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000818614448 586906747 /nfs/dbraw/zinc/90/67/47/586906747.db2.gz AVWUKHZUOVDVOO-UPJWGTAASA-N 0 3 246.354 2.239 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134172 587306042 /nfs/dbraw/zinc/30/60/42/587306042.db2.gz WLANGSMTKNIBEM-HNNXBMFYSA-N 0 3 247.338 2.395 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000825134172 587306043 /nfs/dbraw/zinc/30/60/43/587306043.db2.gz WLANGSMTKNIBEM-HNNXBMFYSA-N 0 3 247.338 2.395 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H](CCCO)C2)c1[O-] ZINC000825338764 587315837 /nfs/dbraw/zinc/31/58/37/587315837.db2.gz UMFXKPCAUQERRD-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H](CCCO)C2)c1[O-] ZINC000825338764 587315839 /nfs/dbraw/zinc/31/58/39/587315839.db2.gz UMFXKPCAUQERRD-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN COCCC1C[NH+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000826898958 587364881 /nfs/dbraw/zinc/36/48/81/587364881.db2.gz BRLFNLKYRMLIIM-UHFFFAOYSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cccc(C[NH+]2C[C@@H](C)C(O)[C@H](C)C2)c1[O-] ZINC000827151986 587371183 /nfs/dbraw/zinc/37/11/83/587371183.db2.gz ONTBQQZFUSAJIF-VXGBXAGGSA-N 0 3 249.354 2.149 20 10 BECDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000827151984 587371426 /nfs/dbraw/zinc/37/14/26/587371426.db2.gz ONTBQQZFUSAJIF-IMRBUKKESA-N 0 3 249.354 2.149 20 10 BECDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)[C@@H](C)C2)c1[O-] ZINC000827151984 587371427 /nfs/dbraw/zinc/37/14/27/587371427.db2.gz ONTBQQZFUSAJIF-IMRBUKKESA-N 0 3 249.354 2.149 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506315 587384621 /nfs/dbraw/zinc/38/46/21/587384621.db2.gz GKXLBCBOBFZCQZ-NXEZZACHSA-N 0 3 221.275 2.373 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000827506315 587384623 /nfs/dbraw/zinc/38/46/23/587384623.db2.gz GKXLBCBOBFZCQZ-NXEZZACHSA-N 0 3 221.275 2.373 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC3(COC3)C2)c1[O-] ZINC000827643428 587394225 /nfs/dbraw/zinc/39/42/25/587394225.db2.gz LMVISRWVRLKQSG-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN CCc1cccc(C[N@H+]2CCC3(COC3)C2)c1[O-] ZINC000827643428 587394226 /nfs/dbraw/zinc/39/42/26/587394226.db2.gz LMVISRWVRLKQSG-UHFFFAOYSA-N 0 3 247.338 2.177 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+](C)C2(CO)CCC2)c1 ZINC000827904021 587409461 /nfs/dbraw/zinc/40/94/61/587409461.db2.gz SZANLBFSUWCVBY-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc([O-])c(C[N@H+](C)C2(CO)CCC2)c1 ZINC000827904021 587409462 /nfs/dbraw/zinc/40/94/62/587409462.db2.gz SZANLBFSUWCVBY-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CCO)C1CC1)CC2 ZINC000834669395 587763622 /nfs/dbraw/zinc/76/36/22/587763622.db2.gz XLXVZEFNGIMUPR-STQMWFEESA-N 0 3 247.338 2.130 20 10 BECDHN COCC1([NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000834729803 587765025 /nfs/dbraw/zinc/76/50/25/587765025.db2.gz KZPVZHBXXDXVPY-NSHDSACASA-N 0 3 233.311 2.148 20 10 BECDHN CN(C)c1ccc(/C=C\CN[C@H]2CCOC2)cc1 ZINC000835042714 587779290 /nfs/dbraw/zinc/77/92/90/587779290.db2.gz XHUVAKBTMAMFTE-NQHOJNORSA-N 0 3 246.354 2.144 20 10 BECDHN CC[C@@H](C)[NH2+]Cc1c([O-])cccc1OC ZINC000835033656 587779317 /nfs/dbraw/zinc/77/93/17/587779317.db2.gz IKTDRYPPFNMJDV-SECBINFHSA-N 0 3 209.289 2.289 20 10 BECDHN CN(C)c1ccc(/C=C/CN(C)CCCO)cc1 ZINC000835052131 587779684 /nfs/dbraw/zinc/77/96/84/587779684.db2.gz OFLWQZURWYOMBX-GQCTYLIASA-N 0 3 248.370 2.080 20 10 BECDHN CN(C)c1ccc(CNc2nccn2C)cc1F ZINC000840887784 587928324 /nfs/dbraw/zinc/92/83/24/587928324.db2.gz PKVFKJMUGVLXMF-UHFFFAOYSA-N 0 3 248.305 2.237 20 10 BECDHN COC1([C@@H](C)[NH2+]Cc2ccccc2[O-])CCC1 ZINC000840969542 587933302 /nfs/dbraw/zinc/93/33/02/587933302.db2.gz HVEXUJFROIIJED-LLVKDONJSA-N 0 3 235.327 2.439 20 10 BECDHN C[NH2+]CCN(C)Cc1c([O-])cc(C)cc1Cl ZINC000843057472 588077977 /nfs/dbraw/zinc/07/79/77/588077977.db2.gz OASANMGZXVYAKQ-UHFFFAOYSA-N 0 3 242.750 2.005 20 10 BECDHN CCn1nccc1C[NH2+][C@H](C)c1ccccc1[O-] ZINC000845988951 588252702 /nfs/dbraw/zinc/25/27/02/588252702.db2.gz CMYJOBXSTVMHPV-LLVKDONJSA-N 0 3 245.326 2.459 20 10 BECDHN CCc1cccc(C[N@H+](CCO)C(C)C)c1[O-] ZINC000848881190 588416187 /nfs/dbraw/zinc/41/61/87/588416187.db2.gz WHQREXJUVFJIBZ-UHFFFAOYSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@@H+](CCO)C(C)C)c1[O-] ZINC000848881190 588416189 /nfs/dbraw/zinc/41/61/89/588416189.db2.gz WHQREXJUVFJIBZ-UHFFFAOYSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@H+](CCCO)C2CC2)c1[O-] ZINC000848887461 588416915 /nfs/dbraw/zinc/41/69/15/588416915.db2.gz WZGBCWKKGUTMFN-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+](CCCO)C2CC2)c1[O-] ZINC000848887461 588416916 /nfs/dbraw/zinc/41/69/16/588416916.db2.gz WZGBCWKKGUTMFN-UHFFFAOYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+]2CCC[C@@]2(C)CO)c1[O-] ZINC000848906046 588418918 /nfs/dbraw/zinc/41/89/18/588418918.db2.gz QBTSSUSLQCPFMS-HNNXBMFYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@H+]2CCC[C@@]2(C)CO)c1[O-] ZINC000848906046 588418919 /nfs/dbraw/zinc/41/89/19/588418919.db2.gz QBTSSUSLQCPFMS-HNNXBMFYSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c1[O-] ZINC000848906665 588419627 /nfs/dbraw/zinc/41/96/27/588419627.db2.gz XPZRJKIQQGQSCZ-SMDDNHRTSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@H](C)[C@H]2CO)c1[O-] ZINC000848906665 588419629 /nfs/dbraw/zinc/41/96/29/588419629.db2.gz XPZRJKIQQGQSCZ-SMDDNHRTSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[NH2+][C@H](C)[C@H](C)OC)c1[O-] ZINC000848912292 588419764 /nfs/dbraw/zinc/41/97/64/588419764.db2.gz DHBDDJUVNGMVKH-MNOVXSKESA-N 0 3 237.343 2.468 20 10 BECDHN CCc1cccc(C[N@@H+](CC)[C@H](C)CO)c1[O-] ZINC000848913391 588419976 /nfs/dbraw/zinc/41/99/76/588419976.db2.gz VPPPDYWHEKLMEG-LLVKDONJSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@H+](CC)[C@H](C)CO)c1[O-] ZINC000848913391 588419977 /nfs/dbraw/zinc/41/99/77/588419977.db2.gz VPPPDYWHEKLMEG-LLVKDONJSA-N 0 3 237.343 2.157 20 10 BECDHN COc1cccc(C[NH2+][C@H]2[C@@H]3CCC[C@@H]32)c1[O-] ZINC000850392059 588543986 /nfs/dbraw/zinc/54/39/86/588543986.db2.gz FXZUCENVMNBXCM-PJXYFTJBSA-N 0 3 233.311 2.289 20 10 BECDHN CCN(C)c1ccc([C@H](C)NC/C=C\CO)cc1 ZINC000850506938 588553627 /nfs/dbraw/zinc/55/36/27/588553627.db2.gz CRQGKVCAQIKKSI-SZZPACECSA-N 0 3 248.370 2.342 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c([O-])c1C ZINC000850579029 588561840 /nfs/dbraw/zinc/56/18/40/588561840.db2.gz QVXPPRGLMYCMOZ-SRVKXCTJSA-N 0 3 235.327 2.183 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)CC2(C)COC2)cc1C ZINC000862476606 589216365 /nfs/dbraw/zinc/21/63/65/589216365.db2.gz DWWZZNJYPDKCEW-UHFFFAOYSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)CC2(C)COC2)cc1C ZINC000862476606 589216366 /nfs/dbraw/zinc/21/63/66/589216366.db2.gz DWWZZNJYPDKCEW-UHFFFAOYSA-N 0 3 249.354 2.477 20 10 BECDHN COc1cccc(CNCC(C)(C)F)c1O ZINC000865653661 589454474 /nfs/dbraw/zinc/45/44/74/589454474.db2.gz IQQMQQLXAGWART-UHFFFAOYSA-N 0 3 227.279 2.239 20 10 BECDHN [O-]c1ccccc1C[NH2+]CC[C@H](O)C1CCCC1 ZINC000865874815 589466710 /nfs/dbraw/zinc/46/67/10/589466710.db2.gz JGEPYALPGSHYKD-HNNXBMFYSA-N 0 3 249.354 2.423 20 10 BECDHN COC[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000124599272 590061168 /nfs/dbraw/zinc/06/11/68/590061168.db2.gz YMCCWEDACKYHOA-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000124599272 590061170 /nfs/dbraw/zinc/06/11/70/590061170.db2.gz YMCCWEDACKYHOA-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCN2CCCC2)c([O-])c1 ZINC000020127062 590076342 /nfs/dbraw/zinc/07/63/42/590076342.db2.gz WSQBXHKBANTHAR-CYBMUJFWSA-N 0 3 248.370 2.447 20 10 BECDHN CCCN1CCN(Cc2ccc(C)cc2O)CC1 ZINC000876523009 590207850 /nfs/dbraw/zinc/20/78/50/590207850.db2.gz IHQDCQIFKWKNEV-UHFFFAOYSA-N 0 3 248.370 2.228 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000876693196 590231166 /nfs/dbraw/zinc/23/11/66/590231166.db2.gz AZEKTYJRQCXVFZ-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000876693196 590231167 /nfs/dbraw/zinc/23/11/67/590231167.db2.gz AZEKTYJRQCXVFZ-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN CCN1CC[N@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000876715763 590232617 /nfs/dbraw/zinc/23/26/17/590232617.db2.gz SKJVQPZWNCKKLH-CYBMUJFWSA-N 0 3 248.370 2.227 20 10 BECDHN CCN1CC[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1C ZINC000876715763 590232618 /nfs/dbraw/zinc/23/26/18/590232618.db2.gz SKJVQPZWNCKKLH-CYBMUJFWSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1ccc(C[N@H+](C)CCn2cccn2)c([O-])c1 ZINC000876730103 590234324 /nfs/dbraw/zinc/23/43/24/590234324.db2.gz CSZNZGLRCMDPPW-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1ccc(C[N@@H+](C)CCn2cccn2)c([O-])c1 ZINC000876730103 590234325 /nfs/dbraw/zinc/23/43/25/590234325.db2.gz CSZNZGLRCMDPPW-UHFFFAOYSA-N 0 3 245.326 2.029 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCCOC[C@H]1C ZINC000876751971 590238327 /nfs/dbraw/zinc/23/83/27/590238327.db2.gz CEECMMOEVBNPPH-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCCOC[C@H]1C ZINC000876751971 590238329 /nfs/dbraw/zinc/23/83/29/590238329.db2.gz CEECMMOEVBNPPH-GFCCVEGCSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(CN2CCOC[C@@H]2C2CC2)c(O)c1 ZINC000876765932 590239457 /nfs/dbraw/zinc/23/94/57/590239457.db2.gz WYAKUUXPWNRFHV-CQSZACIVSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(CN2CCOC[C@H]2C2CC2)c(O)c1 ZINC000876765931 590239946 /nfs/dbraw/zinc/23/99/46/590239946.db2.gz WYAKUUXPWNRFHV-AWEZNQCLSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1ccc(C[N@H+](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000876789005 590240805 /nfs/dbraw/zinc/24/08/05/590240805.db2.gz QOWALNGEUBSATC-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1ccc(C[N@@H+](C)C[C@@H]2CCOC2)c([O-])c1 ZINC000876789005 590240806 /nfs/dbraw/zinc/24/08/06/590240806.db2.gz QOWALNGEUBSATC-LBPRGKRZSA-N 0 3 235.327 2.169 20 10 BECDHN CCN1CCC([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000876889766 590254565 /nfs/dbraw/zinc/25/45/65/590254565.db2.gz QCCMHMWYJKRHID-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc(O)c(CN2CCSCC2)c1 ZINC000126224259 590254753 /nfs/dbraw/zinc/25/47/53/590254753.db2.gz JHRSYKQJVADYKF-UHFFFAOYSA-N 0 3 223.341 2.249 20 10 BECDHN Cc1ccc([O-])c(C[NH+]2CCSCC2)c1 ZINC000126224259 590254755 /nfs/dbraw/zinc/25/47/55/590254755.db2.gz JHRSYKQJVADYKF-UHFFFAOYSA-N 0 3 223.341 2.249 20 10 BECDHN CCOCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876906390 590255835 /nfs/dbraw/zinc/25/58/35/590255835.db2.gz YGDBGDPIVVRKFQ-UHFFFAOYSA-N 0 3 223.316 2.217 20 10 BECDHN Cc1ccc(C[NH2+]CCCn2cccn2)c([O-])c1 ZINC000876920674 590257325 /nfs/dbraw/zinc/25/73/25/590257325.db2.gz ZSFFKRAFOPQOMH-UHFFFAOYSA-N 0 3 245.326 2.077 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2C[C@H]2C)c([O-])c1 ZINC000876931186 590258076 /nfs/dbraw/zinc/25/80/76/590258076.db2.gz KTMUGMVBDKACRR-ZYHUDNBSSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCCOC2)c([O-])c1 ZINC000876957310 590260827 /nfs/dbraw/zinc/26/08/27/590260827.db2.gz XGRTULZYYQNSSG-GFCCVEGCSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc(C[NH2+]CCN(C)C(C)C)c([O-])c1 ZINC000876996502 590266842 /nfs/dbraw/zinc/26/68/42/590266842.db2.gz WXGZIJKZJCLDPD-UHFFFAOYSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000877019913 590269752 /nfs/dbraw/zinc/26/97/52/590269752.db2.gz IBKYPXHXBOFRGM-LBPRGKRZSA-N 0 3 246.354 2.027 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCCN(C)C2)c([O-])c1 ZINC000877026509 590270813 /nfs/dbraw/zinc/27/08/13/590270813.db2.gz BNZFDDBWIDDWKV-CYBMUJFWSA-N 0 3 248.370 2.132 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H]2CCCC[C@@H]2O)c([O-])c1 ZINC000877056787 590275648 /nfs/dbraw/zinc/27/56/48/590275648.db2.gz WWEMMHYYZQUWCB-OCCSQVGLSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1ccc(C[NH2+][C@H](C)c2cnn(C)c2)c([O-])c1 ZINC000877059511 590276051 /nfs/dbraw/zinc/27/60/51/590276051.db2.gz XLLFRTJGMNYCBD-LLVKDONJSA-N 0 3 245.326 2.285 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H](C)C[C@H](C)O)c([O-])c1 ZINC000877059520 590276084 /nfs/dbraw/zinc/27/60/84/590276084.db2.gz XTOBTSXZULFOLI-NEPJUHHUSA-N 0 3 237.343 2.197 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)c([O-])c1 ZINC000877070922 590277698 /nfs/dbraw/zinc/27/76/98/590277698.db2.gz YUMXOBSNQCCHHA-TZMCWYRMSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C1CCC(C)(O)CC1 ZINC000877074911 590278376 /nfs/dbraw/zinc/27/83/76/590278376.db2.gz GAVWTQHZOCXJQA-UHFFFAOYSA-N 0 3 249.354 2.484 20 10 BECDHN CC(C(=O)N(C)c1ccc(N)cc1)C(F)(F)F ZINC000877078616 590279336 /nfs/dbraw/zinc/27/93/36/590279336.db2.gz WWQUAXHACOEJRR-SSDOTTSWSA-N 0 3 246.232 2.430 20 10 BECDHN Cc1ccc(C[NH2+]CC2(CCO)CCC2)c([O-])c1 ZINC000877092327 590281249 /nfs/dbraw/zinc/28/12/49/590281249.db2.gz ZVPJGLNEAHJWQE-UHFFFAOYSA-N 0 3 249.354 2.343 20 10 BECDHN CC[C@@H](CCO)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877110949 590287516 /nfs/dbraw/zinc/28/75/16/590287516.db2.gz GRRLXGCFGREFDM-LBPRGKRZSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1ccc(C[NH2+][C@@]2(C)CCCOC2)c([O-])c1 ZINC000877163891 590294521 /nfs/dbraw/zinc/29/45/21/590294521.db2.gz WCVWVKLNFPVMFV-AWEZNQCLSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c([O-])c1 ZINC000877170321 590296032 /nfs/dbraw/zinc/29/60/32/590296032.db2.gz MBXZPXSBGNLQEL-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c([O-])c1 ZINC000877170321 590296033 /nfs/dbraw/zinc/29/60/33/590296033.db2.gz MBXZPXSBGNLQEL-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[NH2+][C@@]2(C)CCO[C@H]2C)c([O-])c1 ZINC000877306954 590310788 /nfs/dbraw/zinc/31/07/88/590310788.db2.gz BNRKZRVBDXZGAB-FZMZJTMJSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[NH2+]CC[C@@H]2CCOC2)c([O-])c1 ZINC000877314054 590312950 /nfs/dbraw/zinc/31/29/50/590312950.db2.gz OYBVEQQMLNZHGL-GFCCVEGCSA-N 0 3 235.327 2.217 20 10 BECDHN Cc1ccc(C[N@@H+]2CCN(C)[C@H](C)[C@@H]2C)c([O-])c1 ZINC000877409687 590323701 /nfs/dbraw/zinc/32/37/01/590323701.db2.gz XZEXVQYYXKPBCQ-OLZOCXBDSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@H+]2CCN(C)[C@H](C)[C@@H]2C)c([O-])c1 ZINC000877409687 590323704 /nfs/dbraw/zinc/32/37/04/590323704.db2.gz XZEXVQYYXKPBCQ-OLZOCXBDSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](C)N(C)C[C@H]2C)c([O-])c1 ZINC000877407057 590324359 /nfs/dbraw/zinc/32/43/59/590324359.db2.gz MEYWLNFEZYYSJQ-CHWSQXEVSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](C)N(C)C[C@H]2C)c([O-])c1 ZINC000877407057 590324361 /nfs/dbraw/zinc/32/43/61/590324361.db2.gz MEYWLNFEZYYSJQ-CHWSQXEVSA-N 0 3 248.370 2.225 20 10 BECDHN CC[C@]1(CO)CCC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877463207 590332422 /nfs/dbraw/zinc/33/24/22/590332422.db2.gz AETVFCWZJRWNBW-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@]1(CO)CCC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877463207 590332425 /nfs/dbraw/zinc/33/24/25/590332425.db2.gz AETVFCWZJRWNBW-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN Cc1ccc(C[NH2+]CCOCC(F)F)c([O-])c1 ZINC000877467555 590333892 /nfs/dbraw/zinc/33/38/92/590333892.db2.gz JRXKQYHKLMMWJW-UHFFFAOYSA-N 0 3 245.269 2.072 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000877464575 590334245 /nfs/dbraw/zinc/33/42/45/590334245.db2.gz QKXSWEWVYWMXNV-JOCQHMNTSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000877464575 590334247 /nfs/dbraw/zinc/33/42/47/590334247.db2.gz QKXSWEWVYWMXNV-JOCQHMNTSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[NH2+]C2(CCO)CCCC2)c([O-])c1 ZINC000877514557 590345114 /nfs/dbraw/zinc/34/51/14/590345114.db2.gz NCKIUAARXMCKDD-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H](CO)C(C)C)c([O-])c1 ZINC000877523523 590347180 /nfs/dbraw/zinc/34/71/80/590347180.db2.gz XBHRCZXUQRWSQI-ZDUSSCGKSA-N 0 3 237.343 2.055 20 10 BECDHN CC[C@@H](C[NH2+]Cc1c(C)cccc1[O-])OC ZINC000877541487 590350495 /nfs/dbraw/zinc/35/04/95/590350495.db2.gz OUUFTPGFIHLHSY-NSHDSACASA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](CO)C2CCCC2)c([O-])c1 ZINC000877542999 590351544 /nfs/dbraw/zinc/35/15/44/590351544.db2.gz UYMOFAVSLGOWMS-AWEZNQCLSA-N 0 3 249.354 2.341 20 10 BECDHN CC[C@H](C[NH2+]Cc1ccc(C)cc1[O-])OC ZINC000877542094 590351619 /nfs/dbraw/zinc/35/16/19/590351619.db2.gz VDADFELQBROQOM-GFCCVEGCSA-N 0 3 223.316 2.215 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H](O)C2(C)C)c([O-])c1 ZINC000877542238 590352292 /nfs/dbraw/zinc/35/22/92/590352292.db2.gz QLZXDBXBRBIPDP-ZDUSSCGKSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H](O)C2(C)C)c([O-])c1 ZINC000877542238 590352294 /nfs/dbraw/zinc/35/22/94/590352294.db2.gz QLZXDBXBRBIPDP-ZDUSSCGKSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1nnsc1CNCc1ccc(C)cc1O ZINC000877546987 590353392 /nfs/dbraw/zinc/35/33/92/590353392.db2.gz ZYUISDWFVROQLI-UHFFFAOYSA-N 0 3 249.339 2.150 20 10 BECDHN CO[C@H](C[NH2+]Cc1ccc(C)cc1[O-])C1CC1 ZINC000877552535 590355241 /nfs/dbraw/zinc/35/52/41/590355241.db2.gz PTDNBFJFOQPEBY-CQSZACIVSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(O)CCC[C@@H]1C ZINC000877553087 590355265 /nfs/dbraw/zinc/35/52/65/590355265.db2.gz JAIWJPBITDQMSJ-WFASDCNBSA-N 0 3 249.354 2.341 20 10 BECDHN CO[C@H](C[NH2+]Cc1c(C)cccc1[O-])C1CC1 ZINC000877551841 590355418 /nfs/dbraw/zinc/35/54/18/590355418.db2.gz FCYBFGAOGAJNAI-CQSZACIVSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H](C)CCCO)c([O-])c1 ZINC000877560660 590360084 /nfs/dbraw/zinc/36/00/84/590360084.db2.gz XQTXJZYSSUWJAR-GFCCVEGCSA-N 0 3 237.343 2.199 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@@H](CO)[C@@H]2C)c([O-])c1 ZINC000877591608 590368519 /nfs/dbraw/zinc/36/85/19/590368519.db2.gz HCARICPRXCIELE-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)[C@@H]2C)c([O-])c1 ZINC000877591608 590368521 /nfs/dbraw/zinc/36/85/21/590368521.db2.gz HCARICPRXCIELE-JSGCOSHPSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](CO)C[C@H](C)C2)c([O-])c1 ZINC000877594865 590370524 /nfs/dbraw/zinc/37/05/24/590370524.db2.gz LGXCDSDYFDKNNN-QWHCGFSZSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](CO)C[C@H](C)C2)c([O-])c1 ZINC000877594865 590370527 /nfs/dbraw/zinc/37/05/27/590370527.db2.gz LGXCDSDYFDKNNN-QWHCGFSZSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC000877596552 590370611 /nfs/dbraw/zinc/37/06/11/590370611.db2.gz UGJZDGFIVRTVET-DGCLKSJQSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@H](O)CC[C@H]2C)c([O-])c1 ZINC000877596552 590370614 /nfs/dbraw/zinc/37/06/14/590370614.db2.gz UGJZDGFIVRTVET-DGCLKSJQSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CC23CC3)c([O-])c1 ZINC000877597460 590370934 /nfs/dbraw/zinc/37/09/34/590370934.db2.gz MSMXGXFDCAVPEO-LBPRGKRZSA-N 0 3 203.285 2.343 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000877630263 590377974 /nfs/dbraw/zinc/37/79/74/590377974.db2.gz DIETUYGUNXPHOB-IUODEOHRSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000877630263 590377976 /nfs/dbraw/zinc/37/79/76/590377976.db2.gz DIETUYGUNXPHOB-IUODEOHRSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([O-])c1 ZINC000877640704 590381235 /nfs/dbraw/zinc/38/12/35/590381235.db2.gz QVOFAJNOBQLUCT-IUODEOHRSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@](C)(CO)C2)c([O-])c1 ZINC000877640704 590381236 /nfs/dbraw/zinc/38/12/36/590381236.db2.gz QVOFAJNOBQLUCT-IUODEOHRSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@H]3COC[C@H]3C2)c([O-])c1 ZINC000877638024 590381245 /nfs/dbraw/zinc/38/12/45/590381245.db2.gz RKVOYVSJWOQJDO-UONOGXRCSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@H]3COC[C@H]3C2)c([O-])c1 ZINC000877638024 590381248 /nfs/dbraw/zinc/38/12/48/590381248.db2.gz RKVOYVSJWOQJDO-UONOGXRCSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000877640350 590381526 /nfs/dbraw/zinc/38/15/26/590381526.db2.gz LWYXVAKGJVAYEV-DOMZBBRYSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000877640350 590381529 /nfs/dbraw/zinc/38/15/29/590381529.db2.gz LWYXVAKGJVAYEV-DOMZBBRYSA-N 0 3 249.354 2.151 20 10 BECDHN COCC1(C2CC2)C[NH+](Cc2ccccc2[O-])C1 ZINC000877685613 590391959 /nfs/dbraw/zinc/39/19/59/590391959.db2.gz CRLBTCUKOFEUTP-UHFFFAOYSA-N 0 3 247.338 2.251 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877752271 590416304 /nfs/dbraw/zinc/41/63/04/590416304.db2.gz ODCZPUYGQZVJMS-LBPRGKRZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000877752271 590416305 /nfs/dbraw/zinc/41/63/05/590416305.db2.gz ODCZPUYGQZVJMS-LBPRGKRZSA-N 0 3 249.354 2.293 20 10 BECDHN C[C@@H]([NH2+][C@H]1CO[C@@H](C)C1)c1ccccc1[O-] ZINC000877755535 590416919 /nfs/dbraw/zinc/41/69/19/590416919.db2.gz DKSBWWKKRHBTNM-HBNTYKKESA-N 0 3 221.300 2.220 20 10 BECDHN C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)c1ccccc1[O-] ZINC000877758021 590417768 /nfs/dbraw/zinc/41/77/68/590417768.db2.gz DKSBWWKKRHBTNM-DCAQKATOSA-N 0 3 221.300 2.220 20 10 BECDHN Cc1ncc(C[NH2+][C@H](C)c2ccccc2[O-])cn1 ZINC000877756560 590418095 /nfs/dbraw/zinc/41/80/95/590418095.db2.gz RYHQWIUOQJSLQE-SNVBAGLBSA-N 0 3 243.310 2.341 20 10 BECDHN CC[C@@H](C[C@@H](C)O)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877779332 590423193 /nfs/dbraw/zinc/42/31/93/590423193.db2.gz WADHNNMYHJZJNZ-YPMHNXCESA-N 0 3 237.343 2.340 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H](C(C)(C)O)C2)c1[O-] ZINC000877836402 590431933 /nfs/dbraw/zinc/43/19/33/590431933.db2.gz WIVOUSCZXMTXBH-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H](C(C)(C)O)C2)c1[O-] ZINC000877836402 590431936 /nfs/dbraw/zinc/43/19/36/590431936.db2.gz WIVOUSCZXMTXBH-ZDUSSCGKSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[NH2+]C2(CO)CCCC2)c1[O-] ZINC000127878898 590825699 /nfs/dbraw/zinc/82/56/99/590825699.db2.gz ZNYPJCDMOVFCIZ-UHFFFAOYSA-N 0 3 235.327 2.095 20 10 BECDHN COC(C)(C)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000133987087 591873629 /nfs/dbraw/zinc/87/36/29/591873629.db2.gz VUESWZAJVXJFQT-SNVBAGLBSA-N 0 3 223.316 2.468 20 10 BECDHN COc1cccc(CNCc2ccoc2)c1O ZINC000134227146 591903689 /nfs/dbraw/zinc/90/36/89/591903689.db2.gz GNHORPAVNOFJSI-UHFFFAOYSA-N 0 3 233.267 2.284 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@]2(C)CCCOC2)c1 ZINC000221343429 592417177 /nfs/dbraw/zinc/41/71/77/592417177.db2.gz JMMBMZYGLZQRMJ-AWEZNQCLSA-N 0 3 235.327 2.359 20 10 BECDHN COC[C@@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000083398068 631425312 /nfs/dbraw/zinc/42/53/12/631425312.db2.gz DSTUFSQPCJNIFO-GFCCVEGCSA-N 0 3 223.316 2.153 20 10 BECDHN C[C@H]1CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000309049788 632627361 /nfs/dbraw/zinc/62/73/61/632627361.db2.gz OXQIENBEAVZMPY-GZMMTYOYSA-N 0 3 209.264 2.419 20 10 BECDHN Cc1nccn1CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000310898153 633016428 /nfs/dbraw/zinc/01/64/28/633016428.db2.gz DUDYRPFRBYNVHA-NSHDSACASA-N 0 3 245.326 2.248 20 10 BECDHN CC[C@@H](O)C[NH2+][C@@H](CC)c1ccccc1[O-] ZINC000162330621 633028358 /nfs/dbraw/zinc/02/83/58/633028358.db2.gz DNKLXEYSBRWSJU-PWSUYJOCSA-N 0 3 223.316 2.204 20 10 BECDHN Oc1ccccc1CN1CCO[C@H](C2CCC2)C1 ZINC000840955247 635386323 /nfs/dbraw/zinc/38/63/23/635386323.db2.gz SPDYJKYLLNUAHD-HNNXBMFYSA-N 0 3 247.338 2.393 20 10 BECDHN CC[C@@](C)(C[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000322639364 636875544 /nfs/dbraw/zinc/87/55/44/636875544.db2.gz TWTBVZNTPFIESL-ZDUSSCGKSA-N 0 3 241.306 2.436 20 10 BECDHN C[C@H]([NH2+][C@H]1CCCN(C)C1)c1ccccc1[O-] ZINC000040671899 636938424 /nfs/dbraw/zinc/93/84/24/636938424.db2.gz WZAQRKGGENTEPD-RYUDHWBXSA-N 0 3 234.343 2.137 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]CC[C@H]1CCOC1)CC2 ZINC000311106699 639534583 /nfs/dbraw/zinc/53/45/83/639534583.db2.gz VLMGSBRLZJDITP-WCQYABFASA-N 0 3 247.338 2.396 20 10 BECDHN CCOC(=O)/C=C\C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000931556980 640272454 /nfs/dbraw/zinc/27/24/54/640272454.db2.gz GIVMPACJTBAQLI-WDDYJBPVSA-N 0 3 249.310 2.162 20 10 BECDHN CC[C@H]([NH2+]CC1(O)CCC1)c1ccccc1[O-] ZINC000164048695 640439708 /nfs/dbraw/zinc/43/97/08/640439708.db2.gz DCPAZKGNDDEXHW-LBPRGKRZSA-N 0 3 235.327 2.348 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCSC1 ZINC000226613125 640780121 /nfs/dbraw/zinc/78/01/21/640780121.db2.gz FGYLLPRLKKUPLE-JTQLQIEISA-N 0 3 227.304 2.126 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000230669372 641078256 /nfs/dbraw/zinc/07/82/56/641078256.db2.gz LKAILHMVPJLVDQ-DGCLKSJQSA-N 0 3 235.327 2.033 20 10 BECDHN C[C@@H]([NH2+]CCCN(C)C)c1ccc(F)cc1[O-] ZINC000062744921 641087828 /nfs/dbraw/zinc/08/78/28/641087828.db2.gz BMWGYPBXGQQQEW-SNVBAGLBSA-N 0 3 240.322 2.134 20 10 BECDHN C[C@H]([NH2+]CCc1ccn(C)n1)c1ccccc1[O-] ZINC000230899638 641115396 /nfs/dbraw/zinc/11/53/96/641115396.db2.gz JNZMJUGXXZIHSG-NSHDSACASA-N 0 3 245.326 2.019 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H](CO)c1ccccc1 ZINC000062999130 641118172 /nfs/dbraw/zinc/11/81/72/641118172.db2.gz ZGNKJVGPLJYOJO-CQSZACIVSA-N 0 3 243.306 2.215 20 10 BECDHN COC[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000307781902 641202197 /nfs/dbraw/zinc/20/21/97/641202197.db2.gz QAXJMGXSXWZKDK-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN COC[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000307781902 641202202 /nfs/dbraw/zinc/20/22/02/641202202.db2.gz QAXJMGXSXWZKDK-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN Cc1n[nH]cc1CNCc1ccc(N(C)C)cc1 ZINC000035273945 641348068 /nfs/dbraw/zinc/34/80/68/641348068.db2.gz GFZFLWAOXUZIML-UHFFFAOYSA-N 0 3 244.342 2.074 20 10 BECDHN C[C@@H](NCc1c[nH]cn1)c1ccc(N(C)C)cc1 ZINC000088750662 641387120 /nfs/dbraw/zinc/38/71/20/641387120.db2.gz VSLRIPQVJLHLMZ-LLVKDONJSA-N 0 3 244.342 2.327 20 10 BECDHN C[C@@H](NCc1cnc[nH]1)c1ccc(N(C)C)cc1 ZINC000088750662 641387128 /nfs/dbraw/zinc/38/71/28/641387128.db2.gz VSLRIPQVJLHLMZ-LLVKDONJSA-N 0 3 244.342 2.327 20 10 BECDHN CC1(C)COC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000313022143 641527227 /nfs/dbraw/zinc/52/72/27/641527227.db2.gz BBFKOVFXUMRUIF-DGCLKSJQSA-N 0 3 247.338 2.394 20 10 BECDHN COc1ccc(CNC2CSC2)cc1C ZINC000075152023 641747008 /nfs/dbraw/zinc/74/70/08/641747008.db2.gz OSEQZEOAVLBZNI-UHFFFAOYSA-N 0 3 223.341 2.209 20 10 BECDHN CC[C@@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000324365974 641781902 /nfs/dbraw/zinc/78/19/02/641781902.db2.gz WSCYSLZCWRVKPE-LLVKDONJSA-N 0 3 249.310 2.399 20 10 BECDHN CC(C)[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180741780 642812167 /nfs/dbraw/zinc/81/21/67/642812167.db2.gz JIRMIHPLPZFYID-ZDUSSCGKSA-N 0 3 241.306 2.028 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CCO)c([O-])c1 ZINC000097439708 643131516 /nfs/dbraw/zinc/13/15/16/643131516.db2.gz KCJAKFGUPZSGJY-NWDGAFQWSA-N 0 3 237.343 2.370 20 10 BECDHN C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)c1ccccc1[O-] ZINC000183514753 643137477 /nfs/dbraw/zinc/13/74/77/643137477.db2.gz RRSFRYFUHNULQP-FTUHBYGFSA-N 0 3 233.311 2.363 20 10 BECDHN CO[C@@H](C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000733329073 643327878 /nfs/dbraw/zinc/32/78/78/643327878.db2.gz MCULTZYCRPJUAI-JTQLQIEISA-N 0 3 249.232 2.059 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000923033123 644239872 /nfs/dbraw/zinc/23/98/72/644239872.db2.gz QMHDDDWKNZVYLK-SWLSCSKDSA-N 0 3 245.322 2.193 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)C[C@H](C)O)c1cc(F)ccc1[O-] ZINC000252763529 644901055 /nfs/dbraw/zinc/90/10/55/644901055.db2.gz OGJIPWRILGUFGM-LPEHRKFASA-N 0 3 241.306 2.341 20 10 BECDHN Cc1ccc(C[N@H+](C)CC2=CCCOC2)c([O-])c1 ZINC000877628304 645804861 /nfs/dbraw/zinc/80/48/61/645804861.db2.gz GMJPMHUXWVANSU-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN Cc1ccc(C[N@@H+](C)CC2=CCCOC2)c([O-])c1 ZINC000877628304 645804865 /nfs/dbraw/zinc/80/48/65/645804865.db2.gz GMJPMHUXWVANSU-UHFFFAOYSA-N 0 3 247.338 2.479 20 10 BECDHN CC[C@@H](C[C@H](C)O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000716853647 712578580 /nfs/dbraw/zinc/57/85/80/712578580.db2.gz QDXXRDNPBKIGEY-CABZTGNLSA-N 0 3 241.306 2.170 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C[C@H](C)O1 ZINC000724268590 710738129 /nfs/dbraw/zinc/73/81/29/710738129.db2.gz JMINENGYSVFNSC-PJXYFTJBSA-N 0 3 235.327 2.438 20 10 BECDHN CC(C)N(C)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000383307727 710980789 /nfs/dbraw/zinc/98/07/89/710980789.db2.gz QEGCMLUDURLVKS-LBPRGKRZSA-N 0 3 236.359 2.211 20 10 BECDHN CC[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000393493984 711160071 /nfs/dbraw/zinc/16/00/71/711160071.db2.gz VABDHUHJDGVNOP-CYBMUJFWSA-N 0 3 239.290 2.190 20 10 BECDHN C[C@@H]([NH2+]C[C@@]1(C)CCOC1)c1ccccc1[O-] ZINC000397132566 711378250 /nfs/dbraw/zinc/37/82/50/711378250.db2.gz WXLKLJRNMKUQHK-BXUZGUMPSA-N 0 3 235.327 2.469 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](C)O ZINC000386727925 711649948 /nfs/dbraw/zinc/64/99/48/711649948.db2.gz UOMOFAXMQPIEJA-NHCYSSNCSA-N 0 3 223.316 2.202 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]CCCCF ZINC000389643713 711766377 /nfs/dbraw/zinc/76/63/77/711766377.db2.gz RQDDDUXUBOLUSQ-UHFFFAOYSA-N 0 3 215.243 2.371 20 10 BECDHN CC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)[C@@H](C)O ZINC000386961673 711763881 /nfs/dbraw/zinc/76/38/81/711763881.db2.gz ZGEIWANATVCEFG-USWWRNFRSA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1[O-] ZINC000042544572 711808738 /nfs/dbraw/zinc/80/87/38/711808738.db2.gz LAPIFNHSMSHJQV-YPMHNXCESA-N 0 3 234.343 2.137 20 10 BECDHN CC[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccccc1[O-] ZINC000707680861 712176137 /nfs/dbraw/zinc/17/61/37/712176137.db2.gz RDNQDNQMYNGAHF-NTZNESFSSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@H]([NH2+]CCc1cn[nH]c1)c1ccccc1[O-] ZINC000379571726 712388185 /nfs/dbraw/zinc/38/81/85/712388185.db2.gz RJXQORVCZWNYFX-ZDUSSCGKSA-N 0 3 245.326 2.399 20 10 BECDHN CCN1CC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000712612568 712437858 /nfs/dbraw/zinc/43/78/58/712437858.db2.gz BEVYCNIWNTVDAQ-STQMWFEESA-N 0 3 246.354 2.063 20 10 BECDHN C[C@@H]([NH2+]CC[C@H](O)C(F)F)c1ccccc1[O-] ZINC000716714025 712570769 /nfs/dbraw/zinc/57/07/69/712570769.db2.gz SJFNXCVGVLRRQR-KCJUWKMLSA-N 0 3 245.269 2.059 20 10 BECDHN C[C@H]([NH2+][C@@H](CO)CC(F)F)c1ccccc1[O-] ZINC000717825469 712682095 /nfs/dbraw/zinc/68/20/95/712682095.db2.gz PJDLZUCABYPQNO-DTWKUNHWSA-N 0 3 245.269 2.059 20 10 BECDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000380145666 712699687 /nfs/dbraw/zinc/69/96/87/712699687.db2.gz HIWDABSOVGNBSB-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000380145666 712699688 /nfs/dbraw/zinc/69/96/88/712699688.db2.gz HIWDABSOVGNBSB-GFCCVEGCSA-N 0 3 239.290 2.142 20 10 BECDHN C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CCN1C ZINC000719648741 712820721 /nfs/dbraw/zinc/82/07/21/712820721.db2.gz RRJHJAQFKUCSQQ-KGYLQXTDSA-N 0 3 246.354 2.062 20 10 BECDHN Cc1cccc(CN2CC[C@@H](F)C2)c1O ZINC000689849211 1166365797 /nfs/dbraw/zinc/36/57/97/1166365797.db2.gz ODVBGAMLQWLFKH-LLVKDONJSA-N 0 3 209.264 2.244 20 10 BECDHN [O-]c1ccccc1C[NH2+]CCOC1CCCC1 ZINC000111607879 1166623098 /nfs/dbraw/zinc/62/30/98/1166623098.db2.gz VWXWWVYZBVFMST-UHFFFAOYSA-N 0 3 235.327 2.441 20 10 BECDHN COCC[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000383832783 1169252058 /nfs/dbraw/zinc/25/20/58/1169252058.db2.gz JDOWTWAVYNOUEW-ZYHUDNBSSA-N 0 3 235.327 2.394 20 10 BECDHN C[C@H]([NH2+]C[C@H](O)C1CCC1)c1ccccc1[O-] ZINC000316592269 972288191 /nfs/dbraw/zinc/28/81/91/972288191.db2.gz OJEAHXMSYVNVNJ-HZMBPMFUSA-N 0 3 235.327 2.204 20 10 BECDHN C[C@H]([NH2+]C[C@@H](O)C1CCC1)c1ccccc1[O-] ZINC000316592277 972288710 /nfs/dbraw/zinc/28/87/10/972288710.db2.gz OJEAHXMSYVNVNJ-IINYFYTJSA-N 0 3 235.327 2.204 20 10 BECDHN CN(Cc1cccc(=O)[nH]1)Cc1ccccc1O ZINC001207073242 957918463 /nfs/dbraw/zinc/91/84/63/957918463.db2.gz HLBZBXMHAGVPSV-UHFFFAOYSA-N 0 3 244.294 2.125 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724813890 959684419 /nfs/dbraw/zinc/68/44/19/959684419.db2.gz HWKSNURYTFCKSR-JSGCOSHPSA-N 0 3 233.311 2.003 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC000724813890 959684424 /nfs/dbraw/zinc/68/44/24/959684424.db2.gz HWKSNURYTFCKSR-JSGCOSHPSA-N 0 3 233.311 2.003 20 10 BECDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)CC2)c([O-])c1 ZINC001140948096 960122590 /nfs/dbraw/zinc/12/25/90/960122590.db2.gz SPSAMHXSCNGCAZ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)CC2)c([O-])c1 ZINC001140948096 960122598 /nfs/dbraw/zinc/12/25/98/960122598.db2.gz SPSAMHXSCNGCAZ-GXTWGEPZSA-N 0 3 249.354 2.293 20 10 BECDHN CC(=O)[C@@H]1CCCN1Cc1cc(C)ccc1O ZINC001140624255 960467975 /nfs/dbraw/zinc/46/79/75/960467975.db2.gz NHMOGYSHQQMMES-ZDUSSCGKSA-N 0 3 233.311 2.254 20 10 BECDHN [O-]c1cccc2c1C[N@H+](Cc1cc[nH]c1)CC2 ZINC001140709327 960530914 /nfs/dbraw/zinc/53/09/14/960530914.db2.gz YQVTXHUUASPKNR-UHFFFAOYSA-N 0 3 228.295 2.279 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](Cc1cc[nH]c1)CC2 ZINC001140709327 960530928 /nfs/dbraw/zinc/53/09/28/960530928.db2.gz YQVTXHUUASPKNR-UHFFFAOYSA-N 0 3 228.295 2.279 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001140947871 960741029 /nfs/dbraw/zinc/74/10/29/960741029.db2.gz JCHYDWDBAIMKJL-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001140947871 960741048 /nfs/dbraw/zinc/74/10/48/960741048.db2.gz JCHYDWDBAIMKJL-CYBMUJFWSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001140947758 960741482 /nfs/dbraw/zinc/74/14/82/960741482.db2.gz DRHANELDOHTUAY-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC001140947758 960741501 /nfs/dbraw/zinc/74/15/01/960741501.db2.gz DRHANELDOHTUAY-OCCSQVGLSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc(C[N@@H+]2CCC[C@]23CCOC3)c([O-])c1 ZINC001140957763 960761769 /nfs/dbraw/zinc/76/17/69/960761769.db2.gz NDAPAOZENPIHOO-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1ccc(C[N@H+]2CCC[C@]23CCOC3)c([O-])c1 ZINC001140957763 960761783 /nfs/dbraw/zinc/76/17/83/960761783.db2.gz NDAPAOZENPIHOO-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN C[C@@H]1CCN1Cc1ccc2c(c1)OCCN2C ZINC001141141442 960886175 /nfs/dbraw/zinc/88/61/75/960886175.db2.gz YRPVSPYZWGHXEB-LLVKDONJSA-N 0 3 232.327 2.109 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CCN(C)C2)c([O-])c1 ZINC000042545122 964827036 /nfs/dbraw/zinc/82/70/36/964827036.db2.gz AQDJKZBSGSBENA-NWDGAFQWSA-N 0 3 234.343 2.055 20 10 BECDHN C[C@H]([NH2+][C@H]1COC[C@@H]1C)c1ccccc1[O-] ZINC000699474969 965903364 /nfs/dbraw/zinc/90/33/64/965903364.db2.gz LKBXIJOKBYGEKW-NHCYSSNCSA-N 0 3 221.300 2.078 20 10 BECDHN C[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000699773177 966086268 /nfs/dbraw/zinc/08/62/68/966086268.db2.gz GBBZOVUWLIHJKY-YUSALJHKSA-N 0 3 233.311 2.004 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H]2COC[C@H]2C)c([O-])c1 ZINC000699792844 966097315 /nfs/dbraw/zinc/09/73/15/966097315.db2.gz WQFWIVPRKBGYTL-MDZLAQPJSA-N 0 3 235.327 2.386 20 10 BECDHN C[C@H]1CCN(Cc2ccccc2O)CCC1=O ZINC001203550139 966684993 /nfs/dbraw/zinc/68/49/93/966684993.db2.gz JIHDMFGMOXKPCN-NSHDSACASA-N 0 3 233.311 2.193 20 10 BECDHN CC(C)[C@@H]1COCC[N@@H+]1Cc1ccccc1[O-] ZINC001203557166 966691950 /nfs/dbraw/zinc/69/19/50/966691950.db2.gz ZXQQDGJEHZUKCR-ZDUSSCGKSA-N 0 3 235.327 2.249 20 10 BECDHN CC(C)[C@@H]1COCC[N@H+]1Cc1ccccc1[O-] ZINC001203557166 966691957 /nfs/dbraw/zinc/69/19/57/966691957.db2.gz ZXQQDGJEHZUKCR-ZDUSSCGKSA-N 0 3 235.327 2.249 20 10 BECDHN CC(C)[C@@H]1COCCN1Cc1ccccc1O ZINC001203557166 966691962 /nfs/dbraw/zinc/69/19/62/966691962.db2.gz ZXQQDGJEHZUKCR-ZDUSSCGKSA-N 0 3 235.327 2.249 20 10 BECDHN [O-]c1ccccc1C[NH+]1CC(c2cccnc2)C1 ZINC001203558518 966692136 /nfs/dbraw/zinc/69/21/36/966692136.db2.gz LPRBPWHUTWUIQI-UHFFFAOYSA-N 0 3 240.306 2.387 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000691301109 966789208 /nfs/dbraw/zinc/78/92/08/966789208.db2.gz CQGGGMKLBNCMJU-GXTWGEPZSA-N 0 3 233.311 2.049 20 10 BECDHN CC1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874460 966804805 /nfs/dbraw/zinc/80/48/05/966804805.db2.gz YVCMCZRODPWLIG-UHFFFAOYSA-N 0 3 221.300 2.330 20 10 BECDHN CCC[N@H+](CC)Cc1ccc(O)cc1[O-] ZINC001204272948 966950797 /nfs/dbraw/zinc/95/07/97/966950797.db2.gz VMAVAEWQOBWMQB-UHFFFAOYSA-N 0 3 209.289 2.330 20 10 BECDHN CCC[N@@H+](CC)Cc1ccc(O)cc1[O-] ZINC001204272948 966950808 /nfs/dbraw/zinc/95/08/08/966950808.db2.gz VMAVAEWQOBWMQB-UHFFFAOYSA-N 0 3 209.289 2.330 20 10 BECDHN C[N@H+](Cc1ccc(O)cc1[O-])C1CCCC1 ZINC001204274714 966953687 /nfs/dbraw/zinc/95/36/87/966953687.db2.gz HIAVVNYDGHGARL-UHFFFAOYSA-N 0 3 221.300 2.472 20 10 BECDHN C[N@@H+](Cc1ccc(O)cc1[O-])C1CCCC1 ZINC001204274714 966953694 /nfs/dbraw/zinc/95/36/94/966953694.db2.gz HIAVVNYDGHGARL-UHFFFAOYSA-N 0 3 221.300 2.472 20 10 BECDHN C[N@@H+](Cc1ccc(O)cc1[O-])CC1CCC1 ZINC001204274717 966955162 /nfs/dbraw/zinc/95/51/62/966955162.db2.gz HJORTBMOLHXKCJ-UHFFFAOYSA-N 0 3 221.300 2.330 20 10 BECDHN C[N@H+](Cc1ccc(O)cc1[O-])CC1CCC1 ZINC001204274717 966955169 /nfs/dbraw/zinc/95/51/69/966955169.db2.gz HJORTBMOLHXKCJ-UHFFFAOYSA-N 0 3 221.300 2.330 20 10 BECDHN CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000711231919 968003617 /nfs/dbraw/zinc/00/36/17/968003617.db2.gz NVMFKNGSDVFTTH-NWDGAFQWSA-N 0 3 221.300 2.049 20 10 BECDHN CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000711231933 968004824 /nfs/dbraw/zinc/00/48/24/968004824.db2.gz NVMFKNGSDVFTTH-VXGBXAGGSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CO1 ZINC000402055478 970757692 /nfs/dbraw/zinc/75/76/92/970757692.db2.gz RDOZBQMQHBNPJM-USWWRNFRSA-N 0 3 233.311 2.147 20 10 BECDHN Oc1cc(O)c(CN2CC3(C2)CCCC3)cc1O ZINC001233483207 978611342 /nfs/dbraw/zinc/61/13/42/978611342.db2.gz QWRNZBOFCGABHC-UHFFFAOYSA-N 0 3 249.310 2.179 20 10 BECDHN CCc1ccc(C[N@@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001236784389 979729044 /nfs/dbraw/zinc/72/90/44/979729044.db2.gz VZOOYKSCLKNPFN-FZMZJTMJSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@H+]2[C@@H](C)CC[C@H]2CO)c([O-])c1 ZINC001236784389 979729049 /nfs/dbraw/zinc/72/90/49/979729049.db2.gz VZOOYKSCLKNPFN-FZMZJTMJSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001236783283 979730044 /nfs/dbraw/zinc/73/00/44/979730044.db2.gz JOGGUPCWTLKBFZ-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@H+]2CCCC[C@@H](O)C2)c([O-])c1 ZINC001236783283 979730050 /nfs/dbraw/zinc/73/00/50/979730050.db2.gz JOGGUPCWTLKBFZ-CQSZACIVSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001236789629 979733224 /nfs/dbraw/zinc/73/32/24/979733224.db2.gz BWKCOWXIYKRHBA-BXUZGUMPSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001236789629 979733234 /nfs/dbraw/zinc/73/32/34/979733234.db2.gz BWKCOWXIYKRHBA-BXUZGUMPSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1ccc(C[N@@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001236783282 979733986 /nfs/dbraw/zinc/73/39/86/979733986.db2.gz JOGGUPCWTLKBFZ-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@H+]2CCCC[C@H](O)C2)c([O-])c1 ZINC001236783282 979733994 /nfs/dbraw/zinc/73/39/94/979733994.db2.gz JOGGUPCWTLKBFZ-AWEZNQCLSA-N 0 3 249.354 2.301 20 10 BECDHN CCc1ccc(C[N@@H+]2CC[C@H](C(C)=O)C2)c([O-])c1 ZINC001236792767 979737241 /nfs/dbraw/zinc/73/72/41/979737241.db2.gz QZLMODLDZBCSQE-ZDUSSCGKSA-N 0 3 247.338 2.366 20 10 BECDHN CCc1ccc(C[N@H+]2CC[C@H](C(C)=O)C2)c([O-])c1 ZINC001236792767 979737252 /nfs/dbraw/zinc/73/72/52/979737252.db2.gz QZLMODLDZBCSQE-ZDUSSCGKSA-N 0 3 247.338 2.366 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](O)CC[C@H]1C ZINC001237484855 979908606 /nfs/dbraw/zinc/90/86/06/979908606.db2.gz IUWCMWXQMHUKAZ-VXGBXAGGSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](O)CC[C@H]1C ZINC001237484855 979908615 /nfs/dbraw/zinc/90/86/15/979908615.db2.gz IUWCMWXQMHUKAZ-VXGBXAGGSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC001237486211 979911269 /nfs/dbraw/zinc/91/12/69/979911269.db2.gz XYZCKJQSGISREA-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC001237486211 979911272 /nfs/dbraw/zinc/91/12/72/979911272.db2.gz XYZCKJQSGISREA-TZMCWYRMSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001237486681 979915273 /nfs/dbraw/zinc/91/52/73/979915273.db2.gz BHMWKYOKNUYQLA-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001237486681 979915280 /nfs/dbraw/zinc/91/52/80/979915280.db2.gz BHMWKYOKNUYQLA-OAHLLOKOSA-N 0 3 247.338 2.456 20 10 BECDHN CC[C@H]1COCCN1Cc1c(C)cccc1O ZINC001237487877 979916514 /nfs/dbraw/zinc/91/65/14/979916514.db2.gz NZDSFCPPPFDXQW-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cc(F)cc(CN2CC[C@H]2C)c1O ZINC001238064884 980132596 /nfs/dbraw/zinc/13/25/96/980132596.db2.gz RFRTZWNJIIKGRL-SECBINFHSA-N 0 3 209.264 2.434 20 10 BECDHN Cn1cc(C(C)(C)NCc2ccc(N)cc2)cn1 ZINC001352790284 982582637 /nfs/dbraw/zinc/58/26/37/982582637.db2.gz QFCPCCMKLHCXDP-UHFFFAOYSA-N 0 3 244.342 2.027 20 10 BECDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC=CO1 ZINC000379967036 984062815 /nfs/dbraw/zinc/06/28/15/984062815.db2.gz IDTQFXARCJDOGH-LBPRGKRZSA-N 0 3 237.274 2.314 20 10 BECDHN CN(Cc1cc(Cl)ccc1[O-])CC(C)(C)[NH3+] ZINC000691993355 985110774 /nfs/dbraw/zinc/11/07/74/985110774.db2.gz QYUVTBITUWAXLR-UHFFFAOYSA-N 0 3 242.750 2.215 20 10 BECDHN Cc1cccc(CC[NH2+]Cc2ccccc2[O-])n1 ZINC000280724819 986322128 /nfs/dbraw/zinc/32/21/28/986322128.db2.gz YILLXJYWXBKVHE-UHFFFAOYSA-N 0 3 242.322 2.428 20 10 BECDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1(CO)CC1 ZINC000696129661 987340481 /nfs/dbraw/zinc/34/04/81/987340481.db2.gz BZERZOXJZYFNQO-JQWIXIFHSA-N 0 3 247.338 2.130 20 10 BECDHN C[C@H]([NH2+]Cc1cccnc1N)c1ccccc1[O-] ZINC001473725026 987538784 /nfs/dbraw/zinc/53/87/84/987538784.db2.gz YSAMPSPCGPCFPX-JTQLQIEISA-N 0 3 243.310 2.220 20 10 BECDHN CN(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC001116505510 987608032 /nfs/dbraw/zinc/60/80/32/987608032.db2.gz IOUAGAUWFAFPGR-UONOGXRCSA-N 0 3 248.370 2.355 20 10 BECDHN CN(C)[C@H]1CCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC001116505508 987608904 /nfs/dbraw/zinc/60/89/04/987608904.db2.gz IOUAGAUWFAFPGR-KBPBESRZSA-N 0 3 248.370 2.355 20 10 BECDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001140058818 991511926 /nfs/dbraw/zinc/51/19/26/991511926.db2.gz MSCBVRHDHCFBBX-CNDDSTCGSA-N 0 3 239.265 2.179 20 10 BECDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001140058818 991511934 /nfs/dbraw/zinc/51/19/34/991511934.db2.gz MSCBVRHDHCFBBX-CNDDSTCGSA-N 0 3 239.265 2.179 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H]2CCOC2)cc1C ZINC000176100300 178194522 /nfs/dbraw/zinc/19/45/22/178194522.db2.gz ZQSMAUNRNSVDSK-ZDUSSCGKSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H]2CCOC2)cc1C ZINC000176100300 178194523 /nfs/dbraw/zinc/19/45/23/178194523.db2.gz ZQSMAUNRNSVDSK-ZDUSSCGKSA-N 0 3 249.354 2.477 20 10 BECDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C[C@@H]2C)cc1C ZINC000292707557 178196430 /nfs/dbraw/zinc/19/64/30/178196430.db2.gz CZUYVNINFARJDW-JSGCOSHPSA-N 0 3 249.354 2.354 20 10 BECDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C[C@@H]2C)cc1C ZINC000292707557 178196431 /nfs/dbraw/zinc/19/64/31/178196431.db2.gz CZUYVNINFARJDW-JSGCOSHPSA-N 0 3 249.354 2.354 20 10 BECDHN CC[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1[O-] ZINC000037738070 343353697 /nfs/dbraw/zinc/35/36/97/343353697.db2.gz OZUSVYXHPXICGZ-DGCLKSJQSA-N 0 3 235.327 2.469 20 10 BECDHN CCN1CCC[C@@H]1C[NH2+]Cc1cccc(C)c1[O-] ZINC000083378967 344174899 /nfs/dbraw/zinc/17/48/99/344174899.db2.gz YWWDBLUZFLCVSK-CQSZACIVSA-N 0 3 248.370 2.275 20 10 BECDHN CC[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1[O-] ZINC000120627661 344896426 /nfs/dbraw/zinc/89/64/26/344896426.db2.gz PVTMMBVOOIWYNH-CMPLNLGQSA-N 0 3 223.316 2.204 20 10 BECDHN Cc1cccc(C[NH+]2CCC(C)(O)CC2)c1[O-] ZINC000180285633 179074195 /nfs/dbraw/zinc/07/41/95/179074195.db2.gz SXECPXYNOSZKQC-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000180624140 179067382 /nfs/dbraw/zinc/06/73/82/179067382.db2.gz FOGCVITZBZCKLK-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@@H+](C)C[C@H]2CCOC2)c1[O-] ZINC000180624140 179067383 /nfs/dbraw/zinc/06/73/83/179067383.db2.gz FOGCVITZBZCKLK-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@H+]2CCOC[C@H](C)C2)c1[O-] ZINC000378445179 179079828 /nfs/dbraw/zinc/07/98/28/179079828.db2.gz SLMLMAFQXUOJJI-LLVKDONJSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@@H+]2CCOC[C@H](C)C2)c1[O-] ZINC000378445179 179079831 /nfs/dbraw/zinc/07/98/31/179079831.db2.gz SLMLMAFQXUOJJI-LLVKDONJSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(CN2CCOCC2(C)C)c1O ZINC000124565121 179080124 /nfs/dbraw/zinc/08/01/24/179080124.db2.gz JNKSJJDDRMFSDQ-UHFFFAOYSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc(CN2CCOC[C@H]2C2CC2)c1O ZINC000180425850 179080435 /nfs/dbraw/zinc/08/04/35/179080435.db2.gz LXLFOGUOZCEUBU-AWEZNQCLSA-N 0 3 247.338 2.311 20 10 BECDHN Cc1cccc(C[NH2+]CC2(N(C)C)CCC2)c1[O-] ZINC000097927554 179090351 /nfs/dbraw/zinc/09/03/51/179090351.db2.gz PODOPHKEFVXISK-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1cccc(C[NH2+]C[C@H]2C[C@H]2C)c1[O-] ZINC000162517968 179094201 /nfs/dbraw/zinc/09/42/01/179094201.db2.gz KPGSEGBANNYWPN-ZYHUDNBSSA-N 0 3 205.301 2.446 20 10 BECDHN Cc1cccc(C[NH2+][C@@H](C)CC(C)(C)O)c1[O-] ZINC000295015400 179095009 /nfs/dbraw/zinc/09/50/09/179095009.db2.gz JWRWADUIFODDIK-NSHDSACASA-N 0 3 237.343 2.340 20 10 BECDHN Cc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1[O-] ZINC000294722020 179097420 /nfs/dbraw/zinc/09/74/20/179097420.db2.gz FPCGXMPSGIVOHC-GFCCVEGCSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CCCO)c([O-])c1C ZINC000134904187 191108916 /nfs/dbraw/zinc/10/89/16/191108916.db2.gz PPGSVJPTRLINMD-NSHDSACASA-N 0 3 223.316 2.042 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC[C@H]2CCCO2)c1 ZINC000071408227 188130248 /nfs/dbraw/zinc/13/02/48/188130248.db2.gz XXBJXVDJTKXKJG-CYBMUJFWSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CCOC(C)C)c1 ZINC000134123399 188156379 /nfs/dbraw/zinc/15/63/79/188156379.db2.gz NOWWLHMSXNHFAQ-UHFFFAOYSA-N 0 3 223.316 2.215 20 10 BECDHN CO[C@@H](C)C[N@H+](C)Cc1cccc(C)c1[O-] ZINC000289186395 188210801 /nfs/dbraw/zinc/21/08/01/188210801.db2.gz APKLOHBNDDUGAZ-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN CO[C@@H](C)C[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000289186395 188210803 /nfs/dbraw/zinc/21/08/03/188210803.db2.gz APKLOHBNDDUGAZ-NSHDSACASA-N 0 3 223.316 2.167 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000133945400 358773233 /nfs/dbraw/zinc/77/32/33/358773233.db2.gz PKSWHBPJLFGILT-CQSZACIVSA-N 0 3 246.354 2.062 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](N2CCCC2)C1 ZINC000133945400 358773235 /nfs/dbraw/zinc/77/32/35/358773235.db2.gz PKSWHBPJLFGILT-CQSZACIVSA-N 0 3 246.354 2.062 20 10 BECDHN [O-]c1ccccc1C[N@@H+](CCO)C1CCCC1 ZINC000267174728 183071235 /nfs/dbraw/zinc/07/12/35/183071235.db2.gz WIORHCUPTSFEBW-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN [O-]c1ccccc1C[N@H+](CCO)C1CCCC1 ZINC000267174728 183071238 /nfs/dbraw/zinc/07/12/38/183071238.db2.gz WIORHCUPTSFEBW-UHFFFAOYSA-N 0 3 235.327 2.129 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1CCOC1)CC2 ZINC000296072365 183297000 /nfs/dbraw/zinc/29/70/00/183297000.db2.gz SDTAPFQBDILBFD-PWSUYJOCSA-N 0 3 233.311 2.006 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1CCCO1)CC2 ZINC000295939088 183297567 /nfs/dbraw/zinc/29/75/67/183297567.db2.gz KTUUCZHGLYYODG-NWDGAFQWSA-N 0 3 233.311 2.148 20 10 BECDHN [O-]c1ccccc1C[NH2+]C1CCN(C2CC2)CC1 ZINC000037140851 183301029 /nfs/dbraw/zinc/30/10/29/183301029.db2.gz JHHAAIPDIVZTEB-UHFFFAOYSA-N 0 3 246.354 2.109 20 10 BECDHN CCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019432917 169275890 /nfs/dbraw/zinc/27/58/90/169275890.db2.gz GJILCRDYHDFOAH-VIFPVBQESA-N 0 3 209.289 2.461 20 10 BECDHN C[C@@H]([NH2+]C[C@H]1CCOC1)c1ccccc1[O-] ZINC000037738245 384002903 /nfs/dbraw/zinc/00/29/03/384002903.db2.gz CERLPWLUEVSMQV-GHMZBOCLSA-N 0 3 221.300 2.079 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H]2CCOC2)c1 ZINC000037738587 384003914 /nfs/dbraw/zinc/00/39/14/384003914.db2.gz SAQPCAAYTPBTER-NWDGAFQWSA-N 0 3 235.327 2.388 20 10 BECDHN Cn1ccc(C[N@H+](C)Cc2ccccc2[O-])c1 ZINC000091956723 384157418 /nfs/dbraw/zinc/15/74/18/384157418.db2.gz BMOWQWJDSYQNND-UHFFFAOYSA-N 0 3 230.311 2.363 20 10 BECDHN Cn1ccc(C[N@@H+](C)Cc2ccccc2[O-])c1 ZINC000091956723 384157421 /nfs/dbraw/zinc/15/74/21/384157421.db2.gz BMOWQWJDSYQNND-UHFFFAOYSA-N 0 3 230.311 2.363 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976141 384145857 /nfs/dbraw/zinc/14/58/57/384145857.db2.gz CNVHRNWTQDRHTK-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCCO1 ZINC000070976141 384145859 /nfs/dbraw/zinc/14/58/59/384145859.db2.gz CNVHRNWTQDRHTK-LBPRGKRZSA-N 0 3 221.300 2.003 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H](CO)C(C)C)c([O-])c1 ZINC000092393666 384175438 /nfs/dbraw/zinc/17/54/38/384175438.db2.gz XBYBEHYHDZTCFY-WCQYABFASA-N 0 3 237.343 2.368 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)N(C)C)c1 ZINC000071406410 384165655 /nfs/dbraw/zinc/16/56/55/384165655.db2.gz HYGUWXMPWXHLNJ-UHFFFAOYSA-N 0 3 236.359 2.130 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000071407943 384166892 /nfs/dbraw/zinc/16/68/92/384166892.db2.gz DUUVWICMDKEKOE-LBPRGKRZSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1ccc(O)c(CN2C[C@@H](C)OC[C@@H]2C)c1 ZINC000132181814 384219026 /nfs/dbraw/zinc/21/90/26/384219026.db2.gz NWFYHKVFZGLUBI-NWDGAFQWSA-N 0 3 235.327 2.310 20 10 BECDHN C[C@H]([NH2+]Cc1cc2c(cc1[O-])OCO2)C1CC1 ZINC000042879742 384249319 /nfs/dbraw/zinc/24/93/19/384249319.db2.gz RCEFKTVDHRVNLM-QMMMGPOBSA-N 0 3 235.283 2.009 20 10 BECDHN Cc1ccc(O)c(CN2CCOC[C@@H]2C2CC2)c1 ZINC000093645755 384255078 /nfs/dbraw/zinc/25/50/78/384255078.db2.gz RPFOOMUXWWUGTG-CQSZACIVSA-N 0 3 247.338 2.311 20 10 BECDHN C[C@H]([NH2+]C[C@H](C)N(C)C)c1cc(F)ccc1[O-] ZINC000094617783 384307941 /nfs/dbraw/zinc/30/79/41/384307941.db2.gz XMYUQNZCBNJGAL-UWVGGRQHSA-N 0 3 240.322 2.132 20 10 BECDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2(C)COC2)c1 ZINC000094721618 384310556 /nfs/dbraw/zinc/31/05/56/384310556.db2.gz JERIUHXHUYMEMF-NSHDSACASA-N 0 3 235.327 2.388 20 10 BECDHN CC[C@@H](CCO)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000094949624 384323406 /nfs/dbraw/zinc/32/34/06/384323406.db2.gz GWWWHBNXMCGNOS-LBPRGKRZSA-N 0 3 237.343 2.199 20 10 BECDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CN1C1CC1 ZINC000122327516 384474797 /nfs/dbraw/zinc/47/47/97/384474797.db2.gz UHMNEUMQCQJPNL-YPMHNXCESA-N 0 3 246.354 2.107 20 10 BECDHN COC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000183625847 384539352 /nfs/dbraw/zinc/53/93/52/384539352.db2.gz QJKRWFAAPAKNMT-GWCFXTLKSA-N 0 3 235.327 2.468 20 10 BECDHN COC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C1CC1 ZINC000183625875 384541393 /nfs/dbraw/zinc/54/13/93/384541393.db2.gz QJKRWFAAPAKNMT-GXFFZTMASA-N 0 3 235.327 2.468 20 10 BECDHN C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)c1ccccc1[O-] ZINC000051991382 384706498 /nfs/dbraw/zinc/70/64/98/384706498.db2.gz FTQQCDKBHHFZSZ-JKOKRWQUSA-N 0 3 235.327 2.346 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@@H]2C=C[C@H](CO)C2)c([O-])c1 ZINC000185830702 384775945 /nfs/dbraw/zinc/77/59/45/384775945.db2.gz PFAJVXMOGFCMPH-RWMBFGLXSA-N 0 3 247.338 2.288 20 10 BECDHN COC[C@@]1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000294288993 384729240 /nfs/dbraw/zinc/72/92/40/384729240.db2.gz UCIYZUCQARQTTO-AWEZNQCLSA-N 0 3 235.327 2.251 20 10 BECDHN COC[C@@]1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000294288993 384729245 /nfs/dbraw/zinc/72/92/45/384729245.db2.gz UCIYZUCQARQTTO-AWEZNQCLSA-N 0 3 235.327 2.251 20 10 BECDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C)c1[O-] ZINC000290838301 384817368 /nfs/dbraw/zinc/81/73/68/384817368.db2.gz IBEWCEKGYSAFAS-GHMZBOCLSA-N 0 3 223.316 2.214 20 10 BECDHN Cc1ccc([O-])c(C[NH2+]CC2CCOCC2)c1 ZINC000104188131 384810899 /nfs/dbraw/zinc/81/08/99/384810899.db2.gz SNSUCANNDGJZCQ-UHFFFAOYSA-N 0 3 235.327 2.217 20 10 BECDHN CC[C@H](C)[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297794998 384917894 /nfs/dbraw/zinc/91/78/94/384917894.db2.gz QDQSQZAQUZUTDX-VHRBIJSZSA-N 0 3 249.354 2.376 20 10 BECDHN CC(C)[C@@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000086122459 384988707 /nfs/dbraw/zinc/98/87/07/384988707.db2.gz WRJCPZSSSNUZPH-CMPLNLGQSA-N 0 3 223.316 2.060 20 10 BECDHN CCOCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111380 385074579 /nfs/dbraw/zinc/07/45/79/385074579.db2.gz WTOGWVRNISTGLD-SECBINFHSA-N 0 3 227.279 2.218 20 10 BECDHN C[C@H]([NH2+]CCOCC(F)F)c1ccccc1[O-] ZINC000189831626 385188837 /nfs/dbraw/zinc/18/88/37/385188837.db2.gz NLLQRQYXDQUBRS-VIFPVBQESA-N 0 3 245.269 2.325 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC[C@H]2CCO)c1 ZINC000189942302 385197629 /nfs/dbraw/zinc/19/76/29/385197629.db2.gz QYFNPGMYYINFRH-JSGCOSHPSA-N 0 3 249.354 2.341 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CC[C@H](O)C1)c1ccccc1[O-] ZINC000189315879 385144391 /nfs/dbraw/zinc/14/43/91/385144391.db2.gz QJRFETVGNWMENF-SRVKXCTJSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@H]([NH2+][C@@H](C)CO)c1ccc(C)cc1[O-] ZINC000279957346 385237140 /nfs/dbraw/zinc/23/71/40/385237140.db2.gz CDCQPHXZLJMCMH-JQWIXIFHSA-N 0 3 223.316 2.122 20 10 BECDHN CC[C@H]([NH2+][C@H](C)CO)c1ccc(C)cc1[O-] ZINC000279957347 385237707 /nfs/dbraw/zinc/23/77/07/385237707.db2.gz CDCQPHXZLJMCMH-PWSUYJOCSA-N 0 3 223.316 2.122 20 10 BECDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@@H]1CCOC1 ZINC000167453385 385316829 /nfs/dbraw/zinc/31/68/29/385316829.db2.gz GLTWUXBGGHVFQA-GRYCIOLGSA-N 0 3 235.327 2.468 20 10 BECDHN CC[C@H]([NH2+]C[C@H](C)O)c1ccc(C)cc1[O-] ZINC000280224566 385282423 /nfs/dbraw/zinc/28/24/23/385282423.db2.gz UYMREXCVQXEGJN-JQWIXIFHSA-N 0 3 223.316 2.122 20 10 BECDHN CO[C@H](C)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000191210552 385291779 /nfs/dbraw/zinc/29/17/79/385291779.db2.gz ZDJRDIJZURWGSH-RKDXNWHRSA-N 0 3 227.279 2.217 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]C[C@H](O)C(C)C)c([O-])c1 ZINC000168777269 385386694 /nfs/dbraw/zinc/38/66/94/385386694.db2.gz QFCAVOKSASDPCA-FZMZJTMJSA-N 0 3 237.343 2.368 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCSC1 ZINC000179560714 385474460 /nfs/dbraw/zinc/47/44/60/385474460.db2.gz JFLDEFJXNKDSIT-NSHDSACASA-N 0 3 223.341 2.330 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCSC1 ZINC000179560714 385474462 /nfs/dbraw/zinc/47/44/62/385474462.db2.gz JFLDEFJXNKDSIT-NSHDSACASA-N 0 3 223.341 2.330 20 10 BECDHN CO[C@]1(C)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000230299918 385728889 /nfs/dbraw/zinc/72/88/89/385728889.db2.gz BHXRQSSZZCFJQD-CQSZACIVSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@]1(C)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000230299918 385728891 /nfs/dbraw/zinc/72/88/91/385728891.db2.gz BHXRQSSZZCFJQD-CQSZACIVSA-N 0 3 235.327 2.393 20 10 BECDHN C[C@H]([NH2+]C[C@H]1CCCN1C)c1ccccc1[O-] ZINC000183448360 385763653 /nfs/dbraw/zinc/76/36/53/385763653.db2.gz ZZSJETRYQCZQGR-NWDGAFQWSA-N 0 3 234.343 2.137 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000271204815 385802288 /nfs/dbraw/zinc/80/22/88/385802288.db2.gz VOZIKSISFUZGII-JSGCOSHPSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2C[C@H](C)O)c1 ZINC000271204815 385802295 /nfs/dbraw/zinc/80/22/95/385802295.db2.gz VOZIKSISFUZGII-JSGCOSHPSA-N 0 3 249.354 2.436 20 10 BECDHN CCC1(O)CC[NH+](Cc2cc(C)ccc2[O-])CC1 ZINC000271194276 385804227 /nfs/dbraw/zinc/80/42/27/385804227.db2.gz NAVDGHKSGCNABS-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)C ZINC000283867131 385837007 /nfs/dbraw/zinc/83/70/07/385837007.db2.gz IEACBWKYGJHBEJ-CYBMUJFWSA-N 0 3 237.343 2.231 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C(C)(C)C ZINC000283867131 385837012 /nfs/dbraw/zinc/83/70/12/385837012.db2.gz IEACBWKYGJHBEJ-CYBMUJFWSA-N 0 3 237.343 2.231 20 10 BECDHN CC[C@@H](CO)[NH2+][C@H](C)c1c(C)cc(C)cc1[O-] ZINC000284977855 385891648 /nfs/dbraw/zinc/89/16/48/385891648.db2.gz GADVTXDYBLIZOE-NEPJUHHUSA-N 0 3 237.343 2.431 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCCC[C@@H]1O ZINC000272587408 385915812 /nfs/dbraw/zinc/91/58/12/385915812.db2.gz HIJKCXIFKZCQPB-HIFRSBDPSA-N 0 3 249.354 2.375 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCCC[C@@H]1O ZINC000272587408 385915814 /nfs/dbraw/zinc/91/58/14/385915814.db2.gz HIJKCXIFKZCQPB-HIFRSBDPSA-N 0 3 249.354 2.375 20 10 BECDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CCO)c([O-])c1C ZINC000273359228 385991692 /nfs/dbraw/zinc/99/16/92/385991692.db2.gz ABQJCUFUPBTCAV-PWSUYJOCSA-N 0 3 237.343 2.431 20 10 BECDHN CO[C@H](C)C[N@H+](C)Cc1cccc(C)c1[O-] ZINC000289186392 386268353 /nfs/dbraw/zinc/26/83/53/386268353.db2.gz APKLOHBNDDUGAZ-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN CO[C@H](C)C[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000289186392 386268358 /nfs/dbraw/zinc/26/83/58/386268358.db2.gz APKLOHBNDDUGAZ-LLVKDONJSA-N 0 3 223.316 2.167 20 10 BECDHN CC(C)C[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586222 386336820 /nfs/dbraw/zinc/33/68/20/386336820.db2.gz YZRXYPQNVOACMV-GFCCVEGCSA-N 0 3 241.306 2.028 20 10 BECDHN CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000135224904 386497846 /nfs/dbraw/zinc/49/78/46/386497846.db2.gz RVTYXBSZZXIBNR-TZMCWYRMSA-N 0 3 235.327 2.439 20 10 BECDHN C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)c1ccccc1[O-] ZINC000228851734 386626895 /nfs/dbraw/zinc/62/68/95/386626895.db2.gz WMNDEMWEVMIVIJ-ZWKOPEQDSA-N 0 3 235.327 2.202 20 10 BECDHN Cc1cc(CN2CCC(O)CC2)ccc1N(C)C ZINC000293339875 386653881 /nfs/dbraw/zinc/65/38/81/386653881.db2.gz DBCMSVLVKLDZKG-UHFFFAOYSA-N 0 3 248.370 2.018 20 10 BECDHN C[C@@H](CO)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228799479 386618298 /nfs/dbraw/zinc/61/82/98/386618298.db2.gz CHDNFGLDWVACGY-NEPJUHHUSA-N 0 3 237.343 2.451 20 10 BECDHN CC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)c(C)c1[O-] ZINC000293616583 386661106 /nfs/dbraw/zinc/66/11/06/386661106.db2.gz JLKRMERUIRRIQD-RYUDHWBXSA-N 0 3 237.343 2.431 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+]CCCCO)c([O-])c1C ZINC000279485378 386687034 /nfs/dbraw/zinc/68/70/34/386687034.db2.gz LEZZTZPPBYQYHJ-GFCCVEGCSA-N 0 3 237.343 2.432 20 10 BECDHN CC[C@H]1CC[N@@H+]1Cc1cccc(OC)c1[O-] ZINC000292872610 386739356 /nfs/dbraw/zinc/73/93/56/386739356.db2.gz WOCHNUWQSZCABZ-NSHDSACASA-N 0 3 221.300 2.385 20 10 BECDHN CC[C@H]1CC[N@H+]1Cc1cccc(OC)c1[O-] ZINC000292872610 386739364 /nfs/dbraw/zinc/73/93/64/386739364.db2.gz WOCHNUWQSZCABZ-NSHDSACASA-N 0 3 221.300 2.385 20 10 BECDHN Cc1nnsc1CN[C@@H](C)c1ccccc1O ZINC000293262086 386789650 /nfs/dbraw/zinc/78/96/50/386789650.db2.gz CAAXFFFULVLQKB-QMMMGPOBSA-N 0 3 249.339 2.403 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)CO)c1ccc(C)cc1[O-] ZINC000280036705 386773286 /nfs/dbraw/zinc/77/32/86/386773286.db2.gz IMJAAHLJJKNOCI-DGCLKSJQSA-N 0 3 237.343 2.370 20 10 BECDHN C[C@@H]([NH2+]CCC1(O)CCC1)c1ccccc1[O-] ZINC000284524954 387202839 /nfs/dbraw/zinc/20/28/39/387202839.db2.gz ZKRMRSFQFSZARE-LLVKDONJSA-N 0 3 235.327 2.348 20 10 BECDHN CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccccc1[O-] ZINC000527762509 387700717 /nfs/dbraw/zinc/70/07/17/387700717.db2.gz CZNNSSTYNFPXTL-RISCZKNCSA-N 0 3 233.311 2.049 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@@]23C[C@@H]2COC3(C)C)c1 ZINC000527767099 387702867 /nfs/dbraw/zinc/70/28/67/387702867.db2.gz RXIDMXUNPTYURR-DOMZBBRYSA-N 0 3 247.338 2.358 20 10 BECDHN CO[C@H]1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000378637465 387790599 /nfs/dbraw/zinc/79/05/99/387790599.db2.gz NJXNYELMLVEYFG-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CO[C@H]1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000378637465 387790602 /nfs/dbraw/zinc/79/06/02/387790602.db2.gz NJXNYELMLVEYFG-ZDUSSCGKSA-N 0 3 235.327 2.393 20 10 BECDHN CSC1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000193659821 387800534 /nfs/dbraw/zinc/80/05/34/387800534.db2.gz SGLXMMPFQGKBPR-UHFFFAOYSA-N 0 3 223.341 2.377 20 10 BECDHN C[C@@H]([NH2+]C[C@H](C)CN(C)C)c1ccccc1[O-] ZINC000293688652 388390330 /nfs/dbraw/zinc/39/03/30/388390330.db2.gz NQBQNBAREJFAMS-NWDGAFQWSA-N 0 3 236.359 2.241 20 10 BECDHN C[C@H](CCCCO)[NH2+]Cc1ccccc1[O-] ZINC000272517595 389034006 /nfs/dbraw/zinc/03/40/06/389034006.db2.gz XYYOMFPCMCGACA-LLVKDONJSA-N 0 3 223.316 2.033 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1=CCCOC1)CC2 ZINC000297260608 135380106 /nfs/dbraw/zinc/38/01/06/135380106.db2.gz JXWUCROKUDACEW-ZDUSSCGKSA-N 0 3 245.322 2.316 20 10 BECDHN CC(C)OCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000083369422 167222646 /nfs/dbraw/zinc/22/26/46/167222646.db2.gz DKFQJJLRWGNKRE-UHFFFAOYSA-N 0 3 241.306 2.436 20 10 BECDHN CC(C)OCCNCc1ccc2c(c1)CCO2 ZINC000168954055 167241694 /nfs/dbraw/zinc/24/16/94/167241694.db2.gz NDYUACVIWRJRKI-UHFFFAOYSA-N 0 3 235.327 2.136 20 10 BECDHN CC1([NH2+]Cc2cc(F)ccc2[O-])CCOCC1 ZINC000180854450 168063228 /nfs/dbraw/zinc/06/32/28/168063228.db2.gz FNHJQPLSIMEJFU-UHFFFAOYSA-N 0 3 239.290 2.190 20 10 BECDHN CCn1cc(CNCc2cccc(C)c2O)cn1 ZINC000271843857 172171491 /nfs/dbraw/zinc/17/14/91/172171491.db2.gz RICKYCFYARSHMP-UHFFFAOYSA-N 0 3 245.326 2.207 20 10 BECDHN CCn1cc(C[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000272381360 172172655 /nfs/dbraw/zinc/17/26/55/172172655.db2.gz HRMGPFGPIKOXNE-UHFFFAOYSA-N 0 3 249.289 2.038 20 10 BECDHN COCCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000044655463 174202044 /nfs/dbraw/zinc/20/20/44/174202044.db2.gz MIBWSAFSEXQKEO-NSHDSACASA-N 0 3 223.316 2.469 20 10 BECDHN COCCC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000035628872 174249245 /nfs/dbraw/zinc/24/92/45/174249245.db2.gz YZAXZNLLCKMZGX-NSHDSACASA-N 0 3 223.316 2.388 20 10 BECDHN COc1ccc(CNC[C@@H]2CCCO2)cc1C ZINC000035052587 175107307 /nfs/dbraw/zinc/10/73/07/175107307.db2.gz ROMWRAOVVVVNLX-ZDUSSCGKSA-N 0 3 235.327 2.272 20 10 BECDHN COc1ccc([O-])c(C[N@H+](C)CC2CC2)c1 ZINC000179793099 175157737 /nfs/dbraw/zinc/15/77/37/175157737.db2.gz PLRFQVTXTTVLSP-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN COc1ccc([O-])c(C[N@@H+](C)CC2CC2)c1 ZINC000179793099 175157739 /nfs/dbraw/zinc/15/77/39/175157739.db2.gz PLRFQVTXTTVLSP-UHFFFAOYSA-N 0 3 221.300 2.243 20 10 BECDHN COc1ccc([O-])c(C[NH2+]C[C@H]2C[C@H]2C)c1 ZINC000162519153 175159168 /nfs/dbraw/zinc/15/91/68/175159168.db2.gz GGMHGNJOIFORPV-NXEZZACHSA-N 0 3 221.300 2.146 20 10 BECDHN COc1cccc(C[NH+]2C[C@H](C)[C@@H](C)C2)c1[O-] ZINC000211649950 175261387 /nfs/dbraw/zinc/26/13/87/175261387.db2.gz BXXKHHJMXVABSY-QWRGUYRKSA-N 0 3 235.327 2.489 20 10 BECDHN COc1cccc(C[NH2+]C[C@H]2C[C@H]2C)c1[O-] ZINC000136401740 175265804 /nfs/dbraw/zinc/26/58/04/175265804.db2.gz ZPLDTFQPITUYDT-MWLCHTKSSA-N 0 3 221.300 2.146 20 10 BECDHN COc1cccc(CNCc2ccccn2)c1O ZINC000006625212 175266083 /nfs/dbraw/zinc/26/60/83/175266083.db2.gz JUCYGHNASSUSEP-UHFFFAOYSA-N 0 3 244.294 2.086 20 10 BECDHN C[C@@H]1C[NH+](Cc2ccccc2[O-])C[C@H]1C ZINC000132753023 176307096 /nfs/dbraw/zinc/30/70/96/176307096.db2.gz ZLYRARXNDQHOJF-GHMZBOCLSA-N 0 3 205.301 2.480 20 10 BECDHN C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000097987284 177109930 /nfs/dbraw/zinc/10/99/30/177109930.db2.gz YSNKXOYQHQMGRL-VIFPVBQESA-N 0 3 235.283 2.105 20 10 BECDHN C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OCO2 ZINC000097987284 177109931 /nfs/dbraw/zinc/10/99/31/177109931.db2.gz YSNKXOYQHQMGRL-VIFPVBQESA-N 0 3 235.283 2.105 20 10 BECDHN C[C@H]1C[C@@H](O)CCN1Cc1ccc(N(C)C)cc1 ZINC000292288197 177335919 /nfs/dbraw/zinc/33/59/19/177335919.db2.gz CFNLKUOHZMYTAJ-WFASDCNBSA-N 0 3 248.370 2.098 20 10 BECDHN COc1ccc(CN[C@@H]2C[C@@H](O)C2(C)C)cc1C ZINC000129580227 323008818 /nfs/dbraw/zinc/00/88/18/323008818.db2.gz CTQUJXKNJWGVTF-ZIAGYGMSSA-N 0 3 249.354 2.253 20 10 BECDHN Cc1[nH]nc(CN(C)Cc2ccccc2O)c1C ZINC000893961389 583256148 /nfs/dbraw/zinc/25/61/48/583256148.db2.gz FZLNBAWUPLDSFO-UHFFFAOYSA-N 0 3 245.326 2.364 20 10 BECDHN CCC[NH2+]Cc1cc(C)cc(OC)c1[O-] ZINC000894147252 583318692 /nfs/dbraw/zinc/31/86/92/583318692.db2.gz IPOTVFYGLVEPRS-UHFFFAOYSA-N 0 3 209.289 2.209 20 10 BECDHN COc1cc(C)cc(C[NH2+]C[C@@H]2C[C@H]2C)c1[O-] ZINC000894175548 583326842 /nfs/dbraw/zinc/32/68/42/583326842.db2.gz IXXONWGOSLKDLF-MNOVXSKESA-N 0 3 235.327 2.455 20 10 BECDHN Cc1ccc(C[NH2+]CC[C@H](C)CCO)c([O-])c1 ZINC000877556420 583331124 /nfs/dbraw/zinc/33/11/24/583331124.db2.gz GBYHXDRYWBTGHL-NSHDSACASA-N 0 3 237.343 2.199 20 10 BECDHN CC[C@H](C[C@@H](C)O)[NH2+]Cc1c(C)cccc1[O-] ZINC000877779157 583347943 /nfs/dbraw/zinc/34/79/43/583347943.db2.gz ZRJCDRFCURYDAF-VXGBXAGGSA-N 0 3 237.343 2.340 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836395 583350698 /nfs/dbraw/zinc/35/06/98/583350698.db2.gz WFDCBOZSWNLGDI-GFCCVEGCSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000877836395 583350700 /nfs/dbraw/zinc/35/07/00/583350700.db2.gz WFDCBOZSWNLGDI-GFCCVEGCSA-N 0 3 249.354 2.293 20 10 BECDHN C/C=C/C[C@@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000894481331 583470828 /nfs/dbraw/zinc/47/08/28/583470828.db2.gz WRLLSJMTPHVVPD-PCAWENJQSA-N 0 3 235.327 2.117 20 10 BECDHN CCc1cccc(CNC[C@H]2CC(C)=NO2)c1O ZINC000895299841 583641859 /nfs/dbraw/zinc/64/18/59/583641859.db2.gz GQZUAUVMNXEZOX-CYBMUJFWSA-N 0 3 248.326 2.209 20 10 BECDHN CCc1cccc(C[NH2+]C[C@H]2CC(C)=NO2)c1[O-] ZINC000895299841 583641861 /nfs/dbraw/zinc/64/18/61/583641861.db2.gz GQZUAUVMNXEZOX-CYBMUJFWSA-N 0 3 248.326 2.209 20 10 BECDHN COc1ccc(C[NH2+][C@H]2C=CCC2)c([O-])c1OC ZINC000895338962 583653299 /nfs/dbraw/zinc/65/32/99/583653299.db2.gz WJIMOIPPCINSCE-NSHDSACASA-N 0 3 249.310 2.218 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CCN(C)C(C)(C)C1 ZINC000895564773 583691296 /nfs/dbraw/zinc/69/12/96/583691296.db2.gz LYLHFEMHVMJRJZ-UHFFFAOYSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CCN(C)C(C)(C)C1 ZINC000895564773 583691298 /nfs/dbraw/zinc/69/12/98/583691298.db2.gz LYLHFEMHVMJRJZ-UHFFFAOYSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)CCCF ZINC000895895832 583743841 /nfs/dbraw/zinc/74/38/41/583743841.db2.gz DYCOUFQBJNVUMK-UHFFFAOYSA-N 0 3 211.280 2.492 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)CCCF ZINC000895895832 583743842 /nfs/dbraw/zinc/74/38/42/583743842.db2.gz DYCOUFQBJNVUMK-UHFFFAOYSA-N 0 3 211.280 2.492 20 10 BECDHN CC1(C)CC[C@@H](CO)[N@H+](Cc2ccccc2[O-])C1 ZINC000895925630 583747590 /nfs/dbraw/zinc/74/75/90/583747590.db2.gz HAJDPRHRWCAEPQ-ZDUSSCGKSA-N 0 3 249.354 2.375 20 10 BECDHN CC1(C)CC[C@@H](CO)[N@@H+](Cc2ccccc2[O-])C1 ZINC000895925630 583747592 /nfs/dbraw/zinc/74/75/92/583747592.db2.gz HAJDPRHRWCAEPQ-ZDUSSCGKSA-N 0 3 249.354 2.375 20 10 BECDHN COCC1C[NH+](Cc2cc(C)c(C)cc2[O-])C1 ZINC000895971521 583756165 /nfs/dbraw/zinc/75/61/65/583756165.db2.gz RYDYPYKPKWFOPN-UHFFFAOYSA-N 0 3 235.327 2.087 20 10 BECDHN COc1cccc([O-])c1C[NH2+]CC1CC=CC1 ZINC000858221004 588939489 /nfs/dbraw/zinc/93/94/89/588939489.db2.gz XDYAGFZIIRHXOK-UHFFFAOYSA-N 0 3 233.311 2.457 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC23CC(O)C3)cc1C ZINC000897849975 584054721 /nfs/dbraw/zinc/05/47/21/584054721.db2.gz CEVGKNOYNSTRQD-HNFVBEJKSA-N 0 3 247.338 2.012 20 10 BECDHN Cc1cc([O-])c(C[NH2+]CC[C@H](O)C2CC2)cc1C ZINC000898202502 584089695 /nfs/dbraw/zinc/08/96/95/584089695.db2.gz JBCQNQMRBYHNLF-AWEZNQCLSA-N 0 3 249.354 2.260 20 10 BECDHN COc1cccc(CNC/C=C/Cl)c1O ZINC000898436300 584136272 /nfs/dbraw/zinc/13/62/72/584136272.db2.gz RUXNQTDQYQRTCV-ZZXKWVIFSA-N 0 3 227.691 2.243 20 10 BECDHN C[C@@H]([NH2+]CC1(N)CC1)c1cc(Cl)ccc1[O-] ZINC000902407072 584573709 /nfs/dbraw/zinc/57/37/09/584573709.db2.gz PBISMIXOTNWGIY-MRVPVSSYSA-N 0 3 240.734 2.188 20 10 BECDHN C[C@H]([NH2+]CC1(N)CC1)c1cc(Cl)ccc1[O-] ZINC000902407075 584574013 /nfs/dbraw/zinc/57/40/13/584574013.db2.gz PBISMIXOTNWGIY-QMMMGPOBSA-N 0 3 240.734 2.188 20 10 BECDHN C[C@@H](N[C@H]1C[NH2+]CC1(C)C)c1ccccc1[O-] ZINC000902447888 584604778 /nfs/dbraw/zinc/60/47/78/584604778.db2.gz BSXCPXKIEVNXNX-MFKMUULPSA-N 0 3 234.343 2.041 20 10 BECDHN Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000877062971 584889348 /nfs/dbraw/zinc/88/93/48/584889348.db2.gz AAEHSJWPLHXJJM-WCQYABFASA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)c([O-])c1 ZINC000877062966 584889396 /nfs/dbraw/zinc/88/93/96/584889396.db2.gz AAEHSJWPLHXJJM-DGCLKSJQSA-N 0 3 235.327 2.215 20 10 BECDHN Cc1ccc(C[NH2+][C@H]2CCO[C@H](C)C2)c([O-])c1 ZINC000877118650 584890749 /nfs/dbraw/zinc/89/07/49/584890749.db2.gz IUYSVTLCNUJPEV-YPMHNXCESA-N 0 3 235.327 2.358 20 10 BECDHN Cc1ccc(C[NH2+][C@@H]2CCO[C@@H](C)C2)c([O-])c1 ZINC000877118649 584890805 /nfs/dbraw/zinc/89/08/05/584890805.db2.gz IUYSVTLCNUJPEV-WCQYABFASA-N 0 3 235.327 2.358 20 10 BECDHN CC[C@H]([NH2+]CCCNC)c1ccc(F)cc1[O-] ZINC000817941741 584991844 /nfs/dbraw/zinc/99/18/44/584991844.db2.gz WAYDBYBAWBVKMI-LBPRGKRZSA-N 0 3 240.322 2.182 20 10 BECDHN CCC(O)(CC)CC[NH2+]Cc1ccccc1[O-] ZINC000788078779 585009966 /nfs/dbraw/zinc/00/99/66/585009966.db2.gz ZWTFXLABAIEGDJ-UHFFFAOYSA-N 0 3 237.343 2.423 20 10 BECDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCCO2)cc1C ZINC000742366032 585125040 /nfs/dbraw/zinc/12/50/40/585125040.db2.gz BPJFLQGJEVATGV-ZDUSSCGKSA-N 0 3 235.327 2.278 20 10 BECDHN Oc1ccccc1CNCc1cccc(F)n1 ZINC000747936878 585186153 /nfs/dbraw/zinc/18/61/53/585186153.db2.gz BHZAKJRIQMLPRQ-UHFFFAOYSA-N 0 3 232.258 2.216 20 10 BECDHN Cc1cc(C)c(O)c(CN2C[C@H]3CC[C@@H](C2)O3)c1 ZINC000754736145 585290213 /nfs/dbraw/zinc/29/02/13/585290213.db2.gz HOHLAHCHHXYJRO-OKILXGFUSA-N 0 3 247.338 2.372 20 10 BECDHN Cc1cc([O-])c(C[NH2+][C@H](CO)CC2CC2)cc1C ZINC000754833591 585291338 /nfs/dbraw/zinc/29/13/38/585291338.db2.gz KJXPLDXKSNYAMB-AWEZNQCLSA-N 0 3 249.354 2.260 20 10 BECDHN COCC[NH2+][C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000756342424 585317997 /nfs/dbraw/zinc/31/79/97/585317997.db2.gz JPNRSTNJVBJBOY-PSASIEDQSA-N 0 3 239.290 2.316 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CCOC2)c([O-])c1C ZINC000756769825 585322762 /nfs/dbraw/zinc/32/27/62/585322762.db2.gz QYFFECQQWGJNQT-VXGBXAGGSA-N 0 3 235.327 2.449 20 10 BECDHN COCC1([NH2+][C@@H](C)c2cc(F)ccc2[O-])CC1 ZINC000756849837 585324368 /nfs/dbraw/zinc/32/43/68/585324368.db2.gz FYOLZZXIXFJGQZ-VIFPVBQESA-N 0 3 239.290 2.361 20 10 BECDHN Cc1cccc(C[N@@H+](C)CC2(O)CCC2)c1[O-] ZINC000761219301 585412416 /nfs/dbraw/zinc/41/24/16/585412416.db2.gz MVCZXTYDJJNQMH-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+](C)CC2(O)CCC2)c1[O-] ZINC000761219301 585412417 /nfs/dbraw/zinc/41/24/17/585412417.db2.gz MVCZXTYDJJNQMH-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN CO[C@@H](C)[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000765607989 585491162 /nfs/dbraw/zinc/49/11/62/585491162.db2.gz GJUREHQQUJQBIV-MNOVXSKESA-N 0 3 235.327 2.135 20 10 BECDHN COc1cccc([O-])c1C[N@H+](C)C(C)C ZINC000768140743 585532894 /nfs/dbraw/zinc/53/28/94/585532894.db2.gz IQDHOLOMFUEUIM-UHFFFAOYSA-N 0 3 209.289 2.241 20 10 BECDHN COc1cccc([O-])c1C[N@@H+](C)C(C)C ZINC000768140743 585532895 /nfs/dbraw/zinc/53/28/95/585532895.db2.gz IQDHOLOMFUEUIM-UHFFFAOYSA-N 0 3 209.289 2.241 20 10 BECDHN CO[C@H]1CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000774830337 585666890 /nfs/dbraw/zinc/66/68/90/585666890.db2.gz BZHFTWQWWTULLE-JSGCOSHPSA-N 0 3 235.327 2.297 20 10 BECDHN CO[C@H]1CCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000774830339 585666958 /nfs/dbraw/zinc/66/69/58/585666958.db2.gz BZHFTWQWWTULLE-OCCSQVGLSA-N 0 3 235.327 2.297 20 10 BECDHN Cc1cccc(C[N@@H+]2CCN(C)[C@H](C)[C@H]2C)c1[O-] ZINC000775985813 585689003 /nfs/dbraw/zinc/68/90/03/585689003.db2.gz OLOBGHLCSWHDES-CHWSQXEVSA-N 0 3 248.370 2.225 20 10 BECDHN Cc1cccc(C[N@H+]2CCN(C)[C@H](C)[C@H]2C)c1[O-] ZINC000775985813 585689004 /nfs/dbraw/zinc/68/90/04/585689004.db2.gz OLOBGHLCSWHDES-CHWSQXEVSA-N 0 3 248.370 2.225 20 10 BECDHN C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccccc1[O-] ZINC000777824410 585720868 /nfs/dbraw/zinc/72/08/68/585720868.db2.gz FBQVPOFHWAVVHU-GXTWGEPZSA-N 0 3 248.370 2.164 20 10 BECDHN C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccccc1[O-] ZINC000777824410 585720869 /nfs/dbraw/zinc/72/08/69/585720869.db2.gz FBQVPOFHWAVVHU-GXTWGEPZSA-N 0 3 248.370 2.164 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC=CCC2)c1 ZINC000779159669 585746029 /nfs/dbraw/zinc/74/60/29/585746029.db2.gz PTPBMRNINGSEOW-UHFFFAOYSA-N 0 3 203.285 2.463 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC=CCC2)c1 ZINC000779159669 585746030 /nfs/dbraw/zinc/74/60/30/585746030.db2.gz PTPBMRNINGSEOW-UHFFFAOYSA-N 0 3 203.285 2.463 20 10 BECDHN CC[C@]1(O)CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000779220086 585747554 /nfs/dbraw/zinc/74/75/54/585747554.db2.gz WQDAGQDRBRXILP-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN CC[C@]1(O)CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000779220086 585747555 /nfs/dbraw/zinc/74/75/55/585747555.db2.gz WQDAGQDRBRXILP-AWEZNQCLSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000780893312 585785845 /nfs/dbraw/zinc/78/58/45/585785845.db2.gz WCXSXCUDTVXVFN-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000780893312 585785846 /nfs/dbraw/zinc/78/58/46/585785846.db2.gz WCXSXCUDTVXVFN-QWHCGFSZSA-N 0 3 249.354 2.293 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@H](CO)CC1CCC1 ZINC000793323957 586016721 /nfs/dbraw/zinc/01/67/21/586016721.db2.gz VPYREZGQEAJTPT-ZDUSSCGKSA-N 0 3 235.327 2.033 20 10 BECDHN CCN(Cc1ccc(N(C)C)cc1)[C@@H]1CCOC1 ZINC000794550146 586043723 /nfs/dbraw/zinc/04/37/23/586043723.db2.gz KODRSMSYEGGOLU-OAHLLOKOSA-N 0 3 248.370 2.363 20 10 BECDHN CCCN1CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000796521491 586105731 /nfs/dbraw/zinc/10/57/31/586105731.db2.gz HNWLCPBRPSDMII-AWEZNQCLSA-N 0 3 248.370 2.356 20 10 BECDHN [O-]c1ccc(F)cc1C[NH+]1CC(C2CC2)C1 ZINC000812775214 586583898 /nfs/dbraw/zinc/58/38/98/586583898.db2.gz JHSLOANHNJZSDJ-UHFFFAOYSA-N 0 3 221.275 2.373 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000812778121 586583907 /nfs/dbraw/zinc/58/39/07/586583907.db2.gz CCECIIGKZIULOI-CYBMUJFWSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000812778121 586583908 /nfs/dbraw/zinc/58/39/08/586583908.db2.gz CCECIIGKZIULOI-CYBMUJFWSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@@H+]2CC[C@H](O)C2(C)C)c1[O-] ZINC000812778176 586584081 /nfs/dbraw/zinc/58/40/81/586584081.db2.gz CKYJYVFKQBWPOZ-LBPRGKRZSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc(C[N@H+]2CC[C@H](O)C2(C)C)c1[O-] ZINC000812778176 586584082 /nfs/dbraw/zinc/58/40/82/586584082.db2.gz CKYJYVFKQBWPOZ-LBPRGKRZSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cc(CN2CCCOCC2)ccc1N(C)C ZINC000815029005 586664373 /nfs/dbraw/zinc/66/43/73/586664373.db2.gz LCDWKLQIENGXDJ-UHFFFAOYSA-N 0 3 248.370 2.283 20 10 BECDHN Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC2)c([O-])c1 ZINC000815598305 586688830 /nfs/dbraw/zinc/68/88/30/586688830.db2.gz RCFMWJLHKLAGMB-ZDUSSCGKSA-N 0 3 248.370 2.365 20 10 BECDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648721 586751369 /nfs/dbraw/zinc/75/13/69/586751369.db2.gz OAZCILCFXPCRTH-VHSXEESVSA-N 0 3 221.300 2.241 20 10 BECDHN COc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H]2C)c1 ZINC000816648721 586751371 /nfs/dbraw/zinc/75/13/71/586751371.db2.gz OAZCILCFXPCRTH-VHSXEESVSA-N 0 3 221.300 2.241 20 10 BECDHN COc1ccc(O)c(CN2C[C@H](C)[C@H]2C)c1 ZINC000816648721 586751372 /nfs/dbraw/zinc/75/13/72/586751372.db2.gz OAZCILCFXPCRTH-VHSXEESVSA-N 0 3 221.300 2.241 20 10 BECDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000816649134 586751745 /nfs/dbraw/zinc/75/17/45/586751745.db2.gz URQBEHJEVSLERC-ZJUUUORDSA-N 0 3 221.300 2.241 20 10 BECDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@@H]1C ZINC000816649134 586751746 /nfs/dbraw/zinc/75/17/46/586751746.db2.gz URQBEHJEVSLERC-ZJUUUORDSA-N 0 3 221.300 2.241 20 10 BECDHN C[C@@H](NCC[NH3+])c1ccc(Cl)c(Cl)c1[O-] ZINC000817934442 586843416 /nfs/dbraw/zinc/84/34/16/586843416.db2.gz ILDKMMXHQSAKON-ZCFIWIBFSA-N 0 3 249.141 2.308 20 10 BECDHN C[C@@H](NCC[C@H](C)[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817951422 586847709 /nfs/dbraw/zinc/84/77/09/586847709.db2.gz FHDIWAUSZAPEIA-JGVFFNPUSA-N 0 3 244.285 2.058 20 10 BECDHN CC[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(C)cc1[O-] ZINC000817952847 586849157 /nfs/dbraw/zinc/84/91/57/586849157.db2.gz VHEKDXRTSCUKBJ-JSGCOSHPSA-N 0 3 248.370 2.493 20 10 BECDHN CC(C)C[C@H](CN)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817960182 586851487 /nfs/dbraw/zinc/85/14/87/586851487.db2.gz YACWCRCXHKCWKZ-OLZOCXBDSA-N 0 3 248.370 2.343 20 10 BECDHN CC(C)C[C@@H](CN)[NH2+][C@H](C)c1ccccc1[O-] ZINC000817960122 586851997 /nfs/dbraw/zinc/85/19/97/586851997.db2.gz XOJFIKRUEDASRI-NEPJUHHUSA-N 0 3 236.359 2.416 20 10 BECDHN CCC[NH2+]CCN[C@@H](C)c1ccccc1[O-] ZINC000817962042 586852414 /nfs/dbraw/zinc/85/24/14/586852414.db2.gz GYSCKTYIAHQXHW-NSHDSACASA-N 0 3 222.332 2.042 20 10 BECDHN CCCC[C@H](CN)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817963886 586853694 /nfs/dbraw/zinc/85/36/94/586853694.db2.gz XNMQCONJVLSRLQ-OLZOCXBDSA-N 0 3 248.370 2.487 20 10 BECDHN CCCC[C@H](CN)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817963885 586854281 /nfs/dbraw/zinc/85/42/81/586854281.db2.gz XNMQCONJVLSRLQ-CHWSQXEVSA-N 0 3 248.370 2.487 20 10 BECDHN C[C@H](CN)[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000817966292 586855397 /nfs/dbraw/zinc/85/53/97/586855397.db2.gz KMYRDDDYHVFUGD-HTQZYQBOSA-N 0 3 228.723 2.043 20 10 BECDHN Cc1cc(Cl)cc([C@@H](C)[NH2+][C@@H](C)CN)c1[O-] ZINC000817970363 586857531 /nfs/dbraw/zinc/85/75/31/586857531.db2.gz SIKOJCWTLAFYLM-DTWKUNHWSA-N 0 3 242.750 2.352 20 10 BECDHN CC[C@@H]([NH2+]C[C@@H](C)N)c1cc(Cl)ccc1[O-] ZINC000817973797 586860626 /nfs/dbraw/zinc/86/06/26/586860626.db2.gz WQVCWRPFOAWOEX-LDYMZIIASA-N 0 3 242.750 2.434 20 10 BECDHN C[C@H](N)C[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817973783 586860827 /nfs/dbraw/zinc/86/08/27/586860827.db2.gz WKBDIIUTHBQAAD-YUMQZZPRSA-N 0 3 228.723 2.043 20 10 BECDHN C[C@H]([NH3+])CN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817973783 586860829 /nfs/dbraw/zinc/86/08/29/586860829.db2.gz WKBDIIUTHBQAAD-YUMQZZPRSA-N 0 3 228.723 2.043 20 10 BECDHN C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817978172 586861651 /nfs/dbraw/zinc/86/16/51/586861651.db2.gz XULRISGYWWCCMC-HLTSFMKQSA-N 0 3 242.750 2.432 20 10 BECDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]1C1CC1 ZINC000824649263 587280684 /nfs/dbraw/zinc/28/06/84/587280684.db2.gz CEBFNAZYZMGJOG-GFCCVEGCSA-N 0 3 203.285 2.377 20 10 BECDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]1C1CC1 ZINC000824649263 587280685 /nfs/dbraw/zinc/28/06/85/587280685.db2.gz CEBFNAZYZMGJOG-GFCCVEGCSA-N 0 3 203.285 2.377 20 10 BECDHN CO[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000824815759 587288593 /nfs/dbraw/zinc/28/85/93/587288593.db2.gz YURFCAQSTNNFKR-RISCZKNCSA-N 0 3 235.327 2.249 20 10 BECDHN CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000824815759 587288594 /nfs/dbraw/zinc/28/85/94/587288594.db2.gz YURFCAQSTNNFKR-RISCZKNCSA-N 0 3 235.327 2.249 20 10 BECDHN CC[C@H]([NH2+]Cc1cc(C)c(C)cc1[O-])[C@H](C)O ZINC000824922267 587293467 /nfs/dbraw/zinc/29/34/67/587293467.db2.gz ZGMFHPBBSIRNHA-AAEUAGOBSA-N 0 3 237.343 2.258 20 10 BECDHN CC[C@@H]([NH2+]Cc1cc(C)c(C)cc1[O-])[C@@H](C)O ZINC000824922268 587293589 /nfs/dbraw/zinc/29/35/89/587293589.db2.gz ZGMFHPBBSIRNHA-DGCLKSJQSA-N 0 3 237.343 2.258 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CCCO)C2)c1 ZINC000825338846 587315768 /nfs/dbraw/zinc/31/57/68/587315768.db2.gz VLPZQNQZQIRTNE-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CCCO)C2)c1 ZINC000825338846 587315769 /nfs/dbraw/zinc/31/57/69/587315769.db2.gz VLPZQNQZQIRTNE-ZDUSSCGKSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1cccc(CN(C)Cc2cnc[nH]2)c1O ZINC000826770710 587361837 /nfs/dbraw/zinc/36/18/37/587361837.db2.gz ZUZYXHJZMHWQFX-UHFFFAOYSA-N 0 3 231.299 2.056 20 10 BECDHN Cc1cc(N(C)C)ccc1CN(C)C1(CO)CC1 ZINC000827897932 587408319 /nfs/dbraw/zinc/40/83/19/587408319.db2.gz CDJWGHBGNGJZRN-UHFFFAOYSA-N 0 3 248.370 2.018 20 10 BECDHN Cc1cc([O-])c(C[N@@H+](C)C2(CO)CCC2)cc1C ZINC000827903574 587408880 /nfs/dbraw/zinc/40/88/80/587408880.db2.gz KIZSNCDFBLKWHY-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN Cc1cc([O-])c(C[N@H+](C)C2(CO)CCC2)cc1C ZINC000827903574 587408881 /nfs/dbraw/zinc/40/88/81/587408881.db2.gz KIZSNCDFBLKWHY-UHFFFAOYSA-N 0 3 249.354 2.356 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CO)CC1CC1)CC2 ZINC000834693737 587764410 /nfs/dbraw/zinc/76/44/10/587764410.db2.gz QKNMKKIGLOBGQA-CHWSQXEVSA-N 0 3 247.338 2.130 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CO)CC1CC1)CC2 ZINC000834693739 587764566 /nfs/dbraw/zinc/76/45/66/587764566.db2.gz QKNMKKIGLOBGQA-OLZOCXBDSA-N 0 3 247.338 2.130 20 10 BECDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)CC2 ZINC000834903740 587769813 /nfs/dbraw/zinc/76/98/13/587769813.db2.gz QKLHCAXAYIRSJP-RWMBFGLXSA-N 0 3 247.338 2.130 20 10 BECDHN CCOCCNC/C=C/c1ccc(N(C)C)cc1 ZINC000835041839 587779476 /nfs/dbraw/zinc/77/94/76/587779476.db2.gz AXERSHPNTPMQGY-AATRIKPKSA-N 0 3 248.370 2.392 20 10 BECDHN COCC[C@@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000840955861 587931819 /nfs/dbraw/zinc/93/18/19/587931819.db2.gz YTKRKDLNQUMZJI-SNVBAGLBSA-N 0 3 241.306 2.294 20 10 BECDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(C)C ZINC000840968099 587932477 /nfs/dbraw/zinc/93/24/77/587932477.db2.gz VIWAILWOVGZRLT-TZMCWYRMSA-N 0 3 237.343 2.277 20 10 BECDHN CC[C@H]([NH3+])CNCc1c([O-])ccc(Cl)c1F ZINC000841073086 587943864 /nfs/dbraw/zinc/94/38/64/587943864.db2.gz VQRACMQYZOOCBL-ZETCQYMHSA-N 0 3 246.713 2.012 20 10 BECDHN CC[C@H](N)C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841073086 587943865 /nfs/dbraw/zinc/94/38/65/587943865.db2.gz VQRACMQYZOOCBL-ZETCQYMHSA-N 0 3 246.713 2.012 20 10 BECDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C)(O)C2)c([O-])c1 ZINC000841760703 587974382 /nfs/dbraw/zinc/97/43/82/587974382.db2.gz YNRDRXPOAFPBGO-GYSYKLTISA-N 0 3 235.327 2.265 20 10 BECDHN CC[C@@H](C[N@H+](C)Cc1ccccc1[O-])OC ZINC000842153857 588004292 /nfs/dbraw/zinc/00/42/92/588004292.db2.gz RNFXWUDMSGHFFI-LBPRGKRZSA-N 0 3 223.316 2.249 20 10 BECDHN CC[C@@H](C[N@@H+](C)Cc1ccccc1[O-])OC ZINC000842153857 588004294 /nfs/dbraw/zinc/00/42/94/588004294.db2.gz RNFXWUDMSGHFFI-LBPRGKRZSA-N 0 3 223.316 2.249 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846113511 588257654 /nfs/dbraw/zinc/25/76/54/588257654.db2.gz YHEZPNJHKINDIZ-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846113511 588257655 /nfs/dbraw/zinc/25/76/55/588257655.db2.gz YHEZPNJHKINDIZ-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN Cc1ccc(O)c(CN2C[C@H]3[C@@H](C2)C3(F)F)c1 ZINC000846113511 588257656 /nfs/dbraw/zinc/25/76/56/588257656.db2.gz YHEZPNJHKINDIZ-PHIMTYICSA-N 0 3 239.265 2.398 20 10 BECDHN COc1cccc([C@H](C)[NH2+]CCSC)c1[O-] ZINC000846135514 588258389 /nfs/dbraw/zinc/25/83/89/588258389.db2.gz DFRBKQXKJMAKLK-VIFPVBQESA-N 0 3 241.356 2.414 20 10 BECDHN COc1cccc([C@@H](C)[NH2+]CC2CC2)c1[O-] ZINC000846139623 588258394 /nfs/dbraw/zinc/25/83/94/588258394.db2.gz YCVNLVAMRXWARS-SECBINFHSA-N 0 3 221.300 2.461 20 10 BECDHN CCc1cccc(C[N@H+](CC)CCCO)c1[O-] ZINC000848887664 588417951 /nfs/dbraw/zinc/41/79/51/588417951.db2.gz BQTSDCZCGDMYFJ-UHFFFAOYSA-N 0 3 237.343 2.159 20 10 BECDHN CCc1cccc(C[N@@H+](CC)CCCO)c1[O-] ZINC000848887664 588417953 /nfs/dbraw/zinc/41/79/53/588417953.db2.gz BQTSDCZCGDMYFJ-UHFFFAOYSA-N 0 3 237.343 2.159 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000848902070 588418310 /nfs/dbraw/zinc/41/83/10/588418310.db2.gz JJWYVDBZCRCJIK-AAEUAGOBSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000848902070 588418311 /nfs/dbraw/zinc/41/83/11/588418311.db2.gz JJWYVDBZCRCJIK-AAEUAGOBSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1[O-] ZINC000848904395 588418378 /nfs/dbraw/zinc/41/83/78/588418378.db2.gz SFRKEPNZZGNQCI-SMDDNHRTSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c1[O-] ZINC000848904395 588418379 /nfs/dbraw/zinc/41/83/79/588418379.db2.gz SFRKEPNZZGNQCI-SMDDNHRTSA-N 0 3 249.354 2.157 20 10 BECDHN CCc1cccc(C[N@H+](C)CC2(CO)CC2)c1[O-] ZINC000848905120 588418964 /nfs/dbraw/zinc/41/89/64/588418964.db2.gz HLJGJBRLRNXWCV-UHFFFAOYSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[N@@H+](C)CC2(CO)CC2)c1[O-] ZINC000848905120 588418965 /nfs/dbraw/zinc/41/89/65/588418965.db2.gz HLJGJBRLRNXWCV-UHFFFAOYSA-N 0 3 249.354 2.159 20 10 BECDHN CCc1cccc(C[N@@H+](C)[C@@H](CC)CO)c1[O-] ZINC000848914665 588420276 /nfs/dbraw/zinc/42/02/76/588420276.db2.gz QQQHWNSZAOEDIN-ZDUSSCGKSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@H+](C)[C@@H](CC)CO)c1[O-] ZINC000848914665 588420277 /nfs/dbraw/zinc/42/02/77/588420277.db2.gz QQQHWNSZAOEDIN-ZDUSSCGKSA-N 0 3 237.343 2.157 20 10 BECDHN CCc1cccc(C[N@H+](C[C@@H](C)O)C2CC2)c1[O-] ZINC000848929719 588422173 /nfs/dbraw/zinc/42/21/73/588422173.db2.gz ZAARVAUHIJIYNK-LLVKDONJSA-N 0 3 249.354 2.300 20 10 BECDHN CCc1cccc(C[N@@H+](C[C@@H](C)O)C2CC2)c1[O-] ZINC000848929719 588422175 /nfs/dbraw/zinc/42/21/75/588422175.db2.gz ZAARVAUHIJIYNK-LLVKDONJSA-N 0 3 249.354 2.300 20 10 BECDHN CN(Cc1cccc(Cl)c1[O-])CC(C)(C)[NH3+] ZINC000849350865 588474996 /nfs/dbraw/zinc/47/49/96/588474996.db2.gz ZGURBGSFNFGBOB-UHFFFAOYSA-N 0 3 242.750 2.215 20 10 BECDHN C[N@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)N ZINC000849350865 588474997 /nfs/dbraw/zinc/47/49/97/588474997.db2.gz ZGURBGSFNFGBOB-UHFFFAOYSA-N 0 3 242.750 2.215 20 10 BECDHN C[N@@H+](Cc1cccc(Cl)c1[O-])CC(C)(C)N ZINC000849350865 588474998 /nfs/dbraw/zinc/47/49/98/588474998.db2.gz ZGURBGSFNFGBOB-UHFFFAOYSA-N 0 3 242.750 2.215 20 10 BECDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@H](O)C23CCC3)c1 ZINC000850389051 588543428 /nfs/dbraw/zinc/54/34/28/588543428.db2.gz SLJPMYMLKRDUSK-KBPBESRZSA-N 0 3 247.338 2.094 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCn2nccc21 ZINC000850430375 588546025 /nfs/dbraw/zinc/54/60/25/588546025.db2.gz OXHFVECXJMEPJM-GFCCVEGCSA-N 0 3 243.310 2.213 20 10 BECDHN CC[C@@H](NC/C=C\CO)c1ccc(N(C)C)cc1 ZINC000850506786 588553387 /nfs/dbraw/zinc/55/33/87/588553387.db2.gz BXGAEYSOJQYAHD-IYKSTZQJSA-N 0 3 248.370 2.342 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862440292 589212685 /nfs/dbraw/zinc/21/26/85/589212685.db2.gz HIKSUNRKGUXIDP-PHIMTYICSA-N 0 3 203.285 2.152 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862440292 589212687 /nfs/dbraw/zinc/21/26/87/589212687.db2.gz HIKSUNRKGUXIDP-PHIMTYICSA-N 0 3 203.285 2.152 20 10 BECDHN Cc1cccc(C[N@@H+](C)CC2(C)COC2)c1[O-] ZINC000862477910 589216285 /nfs/dbraw/zinc/21/62/85/589216285.db2.gz UKXCNXMIYHVYBJ-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc(C[N@H+](C)CC2(C)COC2)c1[O-] ZINC000862477910 589216287 /nfs/dbraw/zinc/21/62/87/589216287.db2.gz UKXCNXMIYHVYBJ-UHFFFAOYSA-N 0 3 235.327 2.169 20 10 BECDHN CC[C@H](C)C[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000205806807 589471539 /nfs/dbraw/zinc/47/15/39/589471539.db2.gz YQDZTTHQNZENKM-WCQYABFASA-N 0 3 237.343 2.279 20 10 BECDHN C[C@H]([NH2+]CC(C)(C)CO)c1ccccc1[O-] ZINC000122009834 589549680 /nfs/dbraw/zinc/54/96/80/589549680.db2.gz JJFGHDHCWADRCG-JTQLQIEISA-N 0 3 223.316 2.061 20 10 BECDHN CC[C@H]([NH2+]CC(C)(C)CO)c1ccccc1[O-] ZINC000122052592 589551646 /nfs/dbraw/zinc/55/16/46/589551646.db2.gz DFEXKDBKOXAVIC-LBPRGKRZSA-N 0 3 237.343 2.451 20 10 BECDHN Cc1ccc([C@H](C)[NH2+]CC2(CO)CC2)c([O-])c1 ZINC000122315402 589578517 /nfs/dbraw/zinc/57/85/17/589578517.db2.gz RXWAAKWCBNGQJK-NSHDSACASA-N 0 3 235.327 2.124 20 10 BECDHN CCCOc1ccc(CNC/C=C/CO)cc1C ZINC000873134587 589986013 /nfs/dbraw/zinc/98/60/13/589986013.db2.gz BNGQMLVOPNQIJD-SNAWJCMRSA-N 0 3 249.354 2.422 20 10 BECDHN CC[C@@H]([NH2+][C@@H](C)COC)c1ccccc1[O-] ZINC000019904907 590041109 /nfs/dbraw/zinc/04/11/09/590041109.db2.gz IBSWDDRGFXXXIS-CMPLNLGQSA-N 0 3 223.316 2.468 20 10 BECDHN CC[C@@H]1COCCN1Cc1cccc(C)c1O ZINC000124554191 590050146 /nfs/dbraw/zinc/05/01/46/590050146.db2.gz KTAXFMYLYCOFLV-CYBMUJFWSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[NH+]2CCC(CCO)CC2)c([O-])c1 ZINC000876563580 590216654 /nfs/dbraw/zinc/21/66/54/590216654.db2.gz AUICADAAWGCOBF-UHFFFAOYSA-N 0 3 249.354 2.295 20 10 BECDHN Cc1ccc(CN2C[C@H](C)OC[C@@H]2C)c(O)c1 ZINC000876598049 590220466 /nfs/dbraw/zinc/22/04/66/590220466.db2.gz TXCARNIGCULFQG-RYUDHWBXSA-N 0 3 235.327 2.310 20 10 BECDHN CO[C@H]1CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876610474 590221984 /nfs/dbraw/zinc/22/19/84/590221984.db2.gz VEHHZAFETSZPMQ-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN CO[C@H]1CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876610474 590221986 /nfs/dbraw/zinc/22/19/86/590221986.db2.gz VEHHZAFETSZPMQ-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CCC([C@H](C)O)CC1 ZINC000876681150 590230022 /nfs/dbraw/zinc/23/00/22/590230022.db2.gz ZKOXFMXXDONKTH-LBPRGKRZSA-N 0 3 249.354 2.293 20 10 BECDHN COC[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876726029 590233744 /nfs/dbraw/zinc/23/37/44/590233744.db2.gz TYAABGSNJQTSFJ-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN COC[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876726029 590233745 /nfs/dbraw/zinc/23/37/45/590233745.db2.gz TYAABGSNJQTSFJ-GFCCVEGCSA-N 0 3 235.327 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CN(C)C)C1 ZINC000876730040 590234572 /nfs/dbraw/zinc/23/45/72/590234572.db2.gz AWNPXGJQWDBSCJ-CYBMUJFWSA-N 0 3 248.370 2.084 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CN(C)C)C1 ZINC000876730040 590234574 /nfs/dbraw/zinc/23/45/74/590234574.db2.gz AWNPXGJQWDBSCJ-CYBMUJFWSA-N 0 3 248.370 2.084 20 10 BECDHN Cc1cccc(O)c1CN1C[C@H]2CC[C@@H](C1)O2 ZINC000876741112 590235263 /nfs/dbraw/zinc/23/52/63/590235263.db2.gz IVCWSFODESFBKX-TXEJJXNPSA-N 0 3 233.311 2.064 20 10 BECDHN Cc1ccc(CN2CCO[C@H](C)[C@@H]2C)c(O)c1 ZINC000876739310 590235468 /nfs/dbraw/zinc/23/54/68/590235468.db2.gz OAHLZAXCTZBZJW-NWDGAFQWSA-N 0 3 235.327 2.310 20 10 BECDHN Cc1cccc(O)c1CN(C)Cc1cn[nH]c1 ZINC000876738574 590235558 /nfs/dbraw/zinc/23/55/58/590235558.db2.gz HIWSKHXWPLDPGE-UHFFFAOYSA-N 0 3 231.299 2.056 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CCC(C)(O)CC1 ZINC000876745379 590236130 /nfs/dbraw/zinc/23/61/30/590236130.db2.gz CZEYREAMXUHBCQ-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1ccc(C[N@H+]2CCCOC[C@@H]2C)c([O-])c1 ZINC000876752566 590237691 /nfs/dbraw/zinc/23/76/91/590237691.db2.gz TUTQRAOXCNKTIG-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN Cc1ccc(C[N@@H+]2CCCOC[C@@H]2C)c([O-])c1 ZINC000876752566 590237693 /nfs/dbraw/zinc/23/76/93/590237693.db2.gz TUTQRAOXCNKTIG-LBPRGKRZSA-N 0 3 235.327 2.311 20 10 BECDHN CCC1(O)CC[NH+](Cc2c(C)cccc2[O-])CC1 ZINC000876765159 590239835 /nfs/dbraw/zinc/23/98/35/590239835.db2.gz UNXJIIGCHZRYHE-UHFFFAOYSA-N 0 3 249.354 2.438 20 10 BECDHN CSCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876894008 590255253 /nfs/dbraw/zinc/25/52/53/590255253.db2.gz RTBHTZYJORYRQN-UHFFFAOYSA-N 0 3 211.330 2.153 20 10 BECDHN Cc1ccc(C[NH2+][C@H](C)Cn2cccn2)c([O-])c1 ZINC000876926861 590257765 /nfs/dbraw/zinc/25/77/65/590257765.db2.gz IVSFMDZBNYMULZ-GFCCVEGCSA-N 0 3 245.326 2.075 20 10 BECDHN Cc1ccc(C[NH2+][C@H](C)Cn2ccnc2)c([O-])c1 ZINC000876929691 590258224 /nfs/dbraw/zinc/25/82/24/590258224.db2.gz MECXDDBNQJJKOR-GFCCVEGCSA-N 0 3 245.326 2.075 20 10 BECDHN COC[C@@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876986772 590265229 /nfs/dbraw/zinc/26/52/29/590265229.db2.gz KQSWEXFIRWLBDA-NSHDSACASA-N 0 3 223.316 2.073 20 10 BECDHN CCC(O)(CC)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876988612 590265848 /nfs/dbraw/zinc/26/58/48/590265848.db2.gz JFOVZHCYTOUQFK-UHFFFAOYSA-N 0 3 237.343 2.341 20 10 BECDHN CCN(CC[NH2+]Cc1c(C)cccc1[O-])C1CC1 ZINC000876995847 590266831 /nfs/dbraw/zinc/26/68/31/590266831.db2.gz KUSKAOWICURPBK-UHFFFAOYSA-N 0 3 248.370 2.275 20 10 BECDHN Cc1ccc(C[NH2+]C[C@@H](C)N(C)C2CC2)c([O-])c1 ZINC000877024117 590270317 /nfs/dbraw/zinc/27/03/17/590270317.db2.gz QWAFENVSSGUSMR-GFCCVEGCSA-N 0 3 248.370 2.273 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(C)CCOC1 ZINC000877039122 590272970 /nfs/dbraw/zinc/27/29/70/590272970.db2.gz HSPMFYCCDOIZLY-AWEZNQCLSA-N 0 3 235.327 2.217 20 10 BECDHN CC(C(=O)N(C)c1ccc(N)cc1)C(F)(F)F ZINC000877078617 590279114 /nfs/dbraw/zinc/27/91/14/590279114.db2.gz WWQUAXHACOEJRR-ZETCQYMHSA-N 0 3 246.232 2.430 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000877118643 590288383 /nfs/dbraw/zinc/28/83/83/590288383.db2.gz IPSXIUJHXPZWKF-NEPJUHHUSA-N 0 3 235.327 2.358 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000877442401 590328781 /nfs/dbraw/zinc/32/87/81/590328781.db2.gz GZFYLHAAZPTXSQ-TZMCWYRMSA-N 0 3 249.354 2.341 20 10 BECDHN CC[C@]1([NH2+]Cc2ccc(C)cc2[O-])CCOC1 ZINC000877473690 590335775 /nfs/dbraw/zinc/33/57/75/590335775.db2.gz PXPWTAYKBWNEBZ-AWEZNQCLSA-N 0 3 235.327 2.359 20 10 BECDHN Cc1cccc([O-])c1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000877489518 590339992 /nfs/dbraw/zinc/33/99/92/590339992.db2.gz PRPZMZSHNSBGPY-LBPRGKRZSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1ccc(C[NH2+]C[C@H](CO)C(C)C)c([O-])c1 ZINC000877523522 590346663 /nfs/dbraw/zinc/34/66/63/590346663.db2.gz XBHRCZXUQRWSQI-CYBMUJFWSA-N 0 3 237.343 2.055 20 10 BECDHN CC[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877553798 590357016 /nfs/dbraw/zinc/35/70/16/590357016.db2.gz YPRSQGUPYLJELG-AWEZNQCLSA-N 0 3 248.370 2.227 20 10 BECDHN CC[C@H]1CN(C)CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877553798 590357019 /nfs/dbraw/zinc/35/70/19/590357019.db2.gz YPRSQGUPYLJELG-AWEZNQCLSA-N 0 3 248.370 2.227 20 10 BECDHN Cc1cccc(O)c1CN1CC[C@@H](F)C1 ZINC000877558353 590358681 /nfs/dbraw/zinc/35/86/81/590358681.db2.gz FKMGAVZSPXZKDQ-SNVBAGLBSA-N 0 3 209.264 2.244 20 10 BECDHN Cc1ccc(CN2CC[C@H](F)C2)c(O)c1 ZINC000877559468 590359052 /nfs/dbraw/zinc/35/90/52/590359052.db2.gz ODKWDDWWTPWOIH-NSHDSACASA-N 0 3 209.264 2.244 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000877579056 590364705 /nfs/dbraw/zinc/36/47/05/590364705.db2.gz RUOOJXCYVUBFLJ-RYUDHWBXSA-N 0 3 235.327 2.358 20 10 BECDHN COCC[C@@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877587045 590367846 /nfs/dbraw/zinc/36/78/46/590367846.db2.gz BWDVMPXXWXQUFR-GFCCVEGCSA-N 0 3 237.343 2.463 20 10 BECDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000877592314 590368944 /nfs/dbraw/zinc/36/89/44/590368944.db2.gz NMWGFLMDPJEESP-QWHCGFSZSA-N 0 3 249.354 2.341 20 10 BECDHN Cc1cccc([O-])c1C[NH2+]CCCC1(O)CCC1 ZINC000877595769 590369821 /nfs/dbraw/zinc/36/98/21/590369821.db2.gz HYQCJZVCDGWIDK-UHFFFAOYSA-N 0 3 249.354 2.485 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000877621839 590376067 /nfs/dbraw/zinc/37/60/67/590376067.db2.gz XOQVMQBITYPZOZ-LLVKDONJSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C[C@@H](C)O)C1CC1 ZINC000877621839 590376070 /nfs/dbraw/zinc/37/60/70/590376070.db2.gz XOQVMQBITYPZOZ-LLVKDONJSA-N 0 3 235.327 2.046 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000877630365 590377825 /nfs/dbraw/zinc/37/78/25/590377825.db2.gz DIETUYGUNXPHOB-WFASDCNBSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000877630365 590377826 /nfs/dbraw/zinc/37/78/26/590377826.db2.gz DIETUYGUNXPHOB-WFASDCNBSA-N 0 3 247.338 2.169 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000877640353 590382098 /nfs/dbraw/zinc/38/20/98/590382098.db2.gz LWYXVAKGJVAYEV-WFASDCNBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000877640353 590382101 /nfs/dbraw/zinc/38/21/01/590382101.db2.gz LWYXVAKGJVAYEV-WFASDCNBSA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+](C)C1(CO)CCC1 ZINC000877641973 590382646 /nfs/dbraw/zinc/38/26/46/590382646.db2.gz NLCOEPJGILGUCO-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+](C)C1(CO)CCC1 ZINC000877641973 590382649 /nfs/dbraw/zinc/38/26/49/590382649.db2.gz NLCOEPJGILGUCO-UHFFFAOYSA-N 0 3 235.327 2.047 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000877646882 590384574 /nfs/dbraw/zinc/38/45/74/590384574.db2.gz MNWQTTKHZAANSZ-WCQYABFASA-N 0 3 249.354 2.151 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000877646882 590384577 /nfs/dbraw/zinc/38/45/77/590384577.db2.gz MNWQTTKHZAANSZ-WCQYABFASA-N 0 3 249.354 2.151 20 10 BECDHN CCC[C@@H](CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877666857 590389630 /nfs/dbraw/zinc/38/96/30/590389630.db2.gz IYCXZJZSEVUTHY-ZDUSSCGKSA-N 0 3 237.343 2.341 20 10 BECDHN CC[C@@]1(O)CCC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877691760 590392335 /nfs/dbraw/zinc/39/23/35/590392335.db2.gz VOXDXRSNMLWGON-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@@]1(O)CCC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877691760 590392336 /nfs/dbraw/zinc/39/23/36/590392336.db2.gz VOXDXRSNMLWGON-OAHLLOKOSA-N 0 3 249.354 2.438 20 10 BECDHN CC[C@]1(O)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000877691113 590392722 /nfs/dbraw/zinc/39/27/22/590392722.db2.gz IXFBTZGTKMQIGO-AWEZNQCLSA-N 0 3 235.327 2.129 20 10 BECDHN CC[C@]1(O)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000877691113 590392725 /nfs/dbraw/zinc/39/27/25/590392725.db2.gz IXFBTZGTKMQIGO-AWEZNQCLSA-N 0 3 235.327 2.129 20 10 BECDHN [O-]c1cccc2c1C[N@H+](CCC[C@H]1CCO1)C2 ZINC000877702795 590395645 /nfs/dbraw/zinc/39/56/45/590395645.db2.gz HVJKTKSXVWNOGG-LBPRGKRZSA-N 0 3 233.311 2.277 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](CCC[C@H]1CCO1)C2 ZINC000877702795 590395648 /nfs/dbraw/zinc/39/56/48/590395648.db2.gz HVJKTKSXVWNOGG-LBPRGKRZSA-N 0 3 233.311 2.277 20 10 BECDHN [O-]c1cccc2c1C[N@H+](C[C@H]1CCCOC1)C2 ZINC000877703026 590396205 /nfs/dbraw/zinc/39/62/05/590396205.db2.gz OVEZEPZZKFEVRP-LLVKDONJSA-N 0 3 233.311 2.134 20 10 BECDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1CCCOC1)C2 ZINC000877703026 590396207 /nfs/dbraw/zinc/39/62/07/590396207.db2.gz OVEZEPZZKFEVRP-LLVKDONJSA-N 0 3 233.311 2.134 20 10 BECDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)CC(C)(C)C2)c1 ZINC000877752984 590417081 /nfs/dbraw/zinc/41/70/81/590417081.db2.gz KYLVOCHHBYJEFO-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)CC(C)(C)C2)c1 ZINC000877752984 590417083 /nfs/dbraw/zinc/41/70/83/590417083.db2.gz KYLVOCHHBYJEFO-CYBMUJFWSA-N 0 3 249.354 2.293 20 10 BECDHN CCn1cncc1C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000877757961 590418112 /nfs/dbraw/zinc/41/81/12/590418112.db2.gz AVXOYHZLBHTJRD-NSHDSACASA-N 0 3 245.326 2.459 20 10 BECDHN CC[C@H](C[C@H](C)O)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877779329 590423129 /nfs/dbraw/zinc/42/31/29/590423129.db2.gz WADHNNMYHJZJNZ-WCQYABFASA-N 0 3 237.343 2.340 20 10 BECDHN COC(=O)/C(C)=C\C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648518 590841920 /nfs/dbraw/zinc/84/19/20/590841920.db2.gz RWTBPIRIFNLSNN-HIJJYWJESA-N 0 3 249.310 2.162 20 10 BECDHN CCN1CC[C@@H]1C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000883360340 591630259 /nfs/dbraw/zinc/63/02/59/591630259.db2.gz APVBHZCVHMVYHM-CQSZACIVSA-N 0 3 248.370 2.193 20 10 BECDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1C[C@]12CCOC2 ZINC000886065362 592142040 /nfs/dbraw/zinc/14/20/40/592142040.db2.gz SPQOCVPPIHOWJN-ZFWWWQNUSA-N 0 3 247.338 2.251 20 10 BECDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1C[C@]12CCOC2 ZINC000886065362 592142041 /nfs/dbraw/zinc/14/20/41/592142041.db2.gz SPQOCVPPIHOWJN-ZFWWWQNUSA-N 0 3 247.338 2.251 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN2CCCC[C@@H]12 ZINC000217655105 592148524 /nfs/dbraw/zinc/14/85/24/592148524.db2.gz AWHVUWOKNHGRFW-KGLIPLIRSA-N 0 3 246.354 2.109 20 10 BECDHN C[C@H]([NH2+]CCCN(C)C)c1c([O-])cccc1F ZINC000886489960 592235632 /nfs/dbraw/zinc/23/56/32/592235632.db2.gz VWHQUIYJTHTZNX-JTQLQIEISA-N 0 3 240.322 2.134 20 10 BECDHN C[C@H](NCCC[NH+](C)C)c1c([O-])cccc1F ZINC000886489960 592235635 /nfs/dbraw/zinc/23/56/35/592235635.db2.gz VWHQUIYJTHTZNX-JTQLQIEISA-N 0 3 240.322 2.134 20 10 BECDHN CC1(C)COC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000313023439 634438710 /nfs/dbraw/zinc/43/87/10/634438710.db2.gz ORCMMXCARHFKGJ-GFCCVEGCSA-N 0 3 239.290 2.046 20 10 BECDHN C[C@H]1CC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000309049790 631826133 /nfs/dbraw/zinc/82/61/33/631826133.db2.gz OXQIENBEAVZMPY-KWQFWETISA-N 0 3 209.264 2.419 20 10 BECDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C(C)(C)O ZINC000877552549 635740666 /nfs/dbraw/zinc/74/06/66/635740666.db2.gz QBKOQBBMSCGKOD-CYBMUJFWSA-N 0 3 237.343 2.340 20 10 BECDHN C[C@@H]1CC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000309049791 632627594 /nfs/dbraw/zinc/62/75/94/632627594.db2.gz OXQIENBEAVZMPY-LDYMZIIASA-N 0 3 209.264 2.419 20 10 BECDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000310115244 632701944 /nfs/dbraw/zinc/70/19/44/632701944.db2.gz CAOUWIFCOCKGKE-WCQYABFASA-N 0 3 235.327 2.033 20 10 BECDHN CC[C@@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310250070 632712061 /nfs/dbraw/zinc/71/20/61/632712061.db2.gz JZYIDGUVNLOZOC-NWDGAFQWSA-N 0 3 235.327 2.130 20 10 BECDHN CC[C@](C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310494112 632749359 /nfs/dbraw/zinc/74/93/59/632749359.db2.gz PGXIJKRQUMMQLX-RISCZKNCSA-N 0 3 235.327 2.130 20 10 BECDHN C[C@H]([NH2+]C[C@@H]1CCO[C@@H]1C)c1ccccc1[O-] ZINC000235505635 632770560 /nfs/dbraw/zinc/77/05/60/632770560.db2.gz STVLIJJLGWFINX-TUAOUCFPSA-N 0 3 235.327 2.468 20 10 BECDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000895438848 636143488 /nfs/dbraw/zinc/14/34/88/636143488.db2.gz NPPSWADZWTXDCB-ZIAGYGMSSA-N 0 3 249.354 2.436 20 10 BECDHN Cc1ccc(C[N@H+](C)[C@@H]2CCCC[C@H]2O)c([O-])c1 ZINC000895438848 636143493 /nfs/dbraw/zinc/14/34/93/636143493.db2.gz NPPSWADZWTXDCB-ZIAGYGMSSA-N 0 3 249.354 2.436 20 10 BECDHN CO[C@@H](C)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000309496051 633929650 /nfs/dbraw/zinc/92/96/50/633929650.db2.gz YLBPQGDIDJNASS-MXWKQRLJSA-N 0 3 223.316 2.466 20 10 BECDHN CC[C@H](C)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183510627 633981633 /nfs/dbraw/zinc/98/16/33/633981633.db2.gz GYCQFIWHSZBRRN-MJVIPROJSA-N 0 3 237.343 2.450 20 10 BECDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H]1O3)CC2 ZINC000297526719 634235482 /nfs/dbraw/zinc/23/54/82/634235482.db2.gz DIEUXQYWOHSPBK-BYNQJWBRSA-N 0 3 245.322 2.289 20 10 BECDHN CC(C)C[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000311184262 640862850 /nfs/dbraw/zinc/86/28/50/640862850.db2.gz ZZUKPHGTZYFDHQ-QWHCGFSZSA-N 0 3 249.354 2.376 20 10 BECDHN C[C@@H]1OCC[C@]1(C)[NH2+]Cc1ccccc1[O-] ZINC000230150861 641032199 /nfs/dbraw/zinc/03/21/99/641032199.db2.gz GGKMMYVESVGHSB-GWCFXTLKSA-N 0 3 221.300 2.049 20 10 BECDHN C[C@@H]([NH2+]CC[C@@H]1CCOC1)c1ccccc1[O-] ZINC000230410541 641052935 /nfs/dbraw/zinc/05/29/35/641052935.db2.gz LLDKQIUDHDZUJX-VXGBXAGGSA-N 0 3 235.327 2.469 20 10 BECDHN C[C@H]1OCCN(Cc2ccccc2O)[C@H]1C ZINC000179575454 642725523 /nfs/dbraw/zinc/72/55/23/642725523.db2.gz GFRAFCAIAAKLRZ-WDEREUQCSA-N 0 3 221.300 2.001 20 10 BECDHN CN(Cc1ccc[nH]1)Cc1ccccc1O ZINC000180243763 642781440 /nfs/dbraw/zinc/78/14/40/642781440.db2.gz QGVCTTJJTPDIKC-UHFFFAOYSA-N 0 3 216.284 2.352 20 10 BECDHN CC(C)[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183509615 643140375 /nfs/dbraw/zinc/14/03/75/643140375.db2.gz KPNVJPJMJLQDFM-FZMZJTMJSA-N 0 3 237.343 2.450 20 10 BECDHN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1cc(F)ccc1[O-] ZINC000186067959 643436395 /nfs/dbraw/zinc/43/63/95/643436395.db2.gz YZRSGAZIRQRZRX-QWRKXWFKSA-N 0 3 239.290 2.095 20 10 BECDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922721760 644076907 /nfs/dbraw/zinc/07/69/07/644076907.db2.gz CXYPECSLVXZQLN-YUTCNCBUSA-N 0 3 245.322 2.073 20 10 BECDHN C[C@H]([NH2+][C@H](CO)CC1CC1)c1ccccc1[O-] ZINC000783520180 644756690 /nfs/dbraw/zinc/75/66/90/644756690.db2.gz YWDHYBNNWLKGBQ-JQWIXIFHSA-N 0 3 235.327 2.204 20 10 BECDHN CC[C@@H](C)[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000304065299 644868792 /nfs/dbraw/zinc/86/87/92/644868792.db2.gz SVJPLIPCBCATKU-BXUZGUMPSA-N 0 3 237.343 2.279 20 10 BECDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000877628825 645804949 /nfs/dbraw/zinc/80/49/49/645804949.db2.gz NDECYORMSKBRAP-JYAVWHMHSA-N 0 3 249.354 2.149 20 10 BECDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000877628825 645804954 /nfs/dbraw/zinc/80/49/54/645804954.db2.gz NDECYORMSKBRAP-JYAVWHMHSA-N 0 3 249.354 2.149 20 10 BECDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](CC)CO ZINC000929753562 646286192 /nfs/dbraw/zinc/28/61/92/646286192.db2.gz SCLGDEWLUOTTMI-CYBMUJFWSA-N 0 3 237.343 2.375 20 10 BECDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](CC)CO ZINC000929753562 646286194 /nfs/dbraw/zinc/28/61/94/646286194.db2.gz SCLGDEWLUOTTMI-CYBMUJFWSA-N 0 3 237.343 2.375 20 10 BECDHN