smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cc([O-])c(CN2CC[C@H]([NH3+])C2)cc1Cl ZINC001236173926 966297471 /nfs/dbraw/zinc/29/74/71/966297471.db2.gz RSVDAQMKZGXKRT-JTQLQIEISA-N 0 3 240.734 1.887 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])CC(OC)OC ZINC001207257038 968696834 /nfs/dbraw/zinc/69/68/34/968696834.db2.gz TYOFTFMMBVEVOM-UHFFFAOYSA-N 0 3 239.315 1.833 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])CC(OC)OC ZINC001207257038 968696839 /nfs/dbraw/zinc/69/68/39/968696839.db2.gz TYOFTFMMBVEVOM-UHFFFAOYSA-N 0 3 239.315 1.833 20 10 BDCDHN CO[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000234889959 973775502 /nfs/dbraw/zinc/77/55/02/973775502.db2.gz NTCSXYVSZNTXQR-NSHDSACASA-N 0 3 225.263 1.752 20 10 BDCDHN CO[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000234889959 973775509 /nfs/dbraw/zinc/77/55/09/973775509.db2.gz NTCSXYVSZNTXQR-NSHDSACASA-N 0 3 225.263 1.752 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCNC1=O)c1cc(F)ccc1[O-] ZINC000693908728 959530120 /nfs/dbraw/zinc/53/01/20/959530120.db2.gz RNVOQJOAOAXQIA-XCBNKYQSSA-N 0 3 238.262 1.070 20 10 BDCDHN Oc1ccc(O)c(CN2CC[C@H](F)[C@@H](O)C2)c1 ZINC001141156254 960893186 /nfs/dbraw/zinc/89/31/86/960893186.db2.gz IQZCOYTYWVQBOE-JQWIXIFHSA-N 0 3 241.262 1.003 20 10 BDCDHN C[C@H](CC(N)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000383581199 963584512 /nfs/dbraw/zinc/58/45/12/963584512.db2.gz FLIXXCWEWWFSFX-SCZZXKLOSA-N 0 3 234.299 1.233 20 10 BDCDHN [NH3+][C@@]12CC[C@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC001235978643 966186955 /nfs/dbraw/zinc/18/69/55/966186955.db2.gz JOKWESSICKZHHX-GXFFZTMASA-N 0 3 236.290 1.454 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@]1(C)O ZINC001203549927 966672259 /nfs/dbraw/zinc/67/22/59/966672259.db2.gz DASBWCQDWBAZNA-RISCZKNCSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@]1(C)O ZINC001203549927 966672260 /nfs/dbraw/zinc/67/22/60/966672260.db2.gz DASBWCQDWBAZNA-RISCZKNCSA-N 0 3 235.327 1.985 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CC(C2COC2)C1 ZINC001203547771 966680269 /nfs/dbraw/zinc/68/02/69/966680269.db2.gz XMIMDVKAXNXEQA-UHFFFAOYSA-N 0 3 219.284 1.470 20 10 BDCDHN OC[C@@H]1C[C@H](F)CN(Cc2ccccc2O)C1 ZINC001203550541 966684573 /nfs/dbraw/zinc/68/45/73/966684573.db2.gz YOYRMYQIVYDFJG-PWSUYJOCSA-N 0 3 239.290 1.545 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC001203550484 966685241 /nfs/dbraw/zinc/68/52/41/966685241.db2.gz VYJGEAUFQZLHCU-AAEUAGOBSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC001203550484 966685249 /nfs/dbraw/zinc/68/52/49/966685249.db2.gz VYJGEAUFQZLHCU-AAEUAGOBSA-N 0 3 235.327 1.985 20 10 BDCDHN COC(=O)CC[N@H+](Cc1ccccc1[O-])C1CC1 ZINC001203561296 966687031 /nfs/dbraw/zinc/68/70/31/966687031.db2.gz PUIWLDKRBDLSHY-UHFFFAOYSA-N 0 3 249.310 1.920 20 10 BDCDHN COC(=O)CC[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC001203561296 966687037 /nfs/dbraw/zinc/68/70/37/966687037.db2.gz PUIWLDKRBDLSHY-UHFFFAOYSA-N 0 3 249.310 1.920 20 10 BDCDHN Oc1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001204271991 966955023 /nfs/dbraw/zinc/95/50/23/966955023.db2.gz FYWMCNMGKWOQAP-UHFFFAOYSA-N 0 3 235.283 1.055 20 10 BDCDHN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279231 966958486 /nfs/dbraw/zinc/95/84/86/966958486.db2.gz SZCLOXURQFZWOZ-SKDRFNHKSA-N 0 3 237.299 1.443 20 10 BDCDHN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279231 966958491 /nfs/dbraw/zinc/95/84/91/966958491.db2.gz SZCLOXURQFZWOZ-SKDRFNHKSA-N 0 3 237.299 1.443 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001204281051 966961309 /nfs/dbraw/zinc/96/13/09/966961309.db2.gz OJYJUGBBTYTIFT-GXFFZTMASA-N 0 3 235.283 1.319 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001204281051 966961315 /nfs/dbraw/zinc/96/13/15/966961315.db2.gz OJYJUGBBTYTIFT-GXFFZTMASA-N 0 3 235.283 1.319 20 10 BDCDHN C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(Cl)cc1[O-] ZINC001205182565 967410299 /nfs/dbraw/zinc/41/02/99/967410299.db2.gz BBZIAXIWZCWRQU-LDYMZIIASA-N 0 3 240.734 1.967 20 10 BDCDHN [O-]c1cccc2c1C[N@H+](C[C@H]1CCCO1)CC2 ZINC001207887401 968914789 /nfs/dbraw/zinc/91/47/89/968914789.db2.gz HZTTZDIDTFYWLB-GFCCVEGCSA-N 0 3 233.311 1.929 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1CCCO1)CC2 ZINC001207887401 968914793 /nfs/dbraw/zinc/91/47/93/968914793.db2.gz HZTTZDIDTFYWLB-GFCCVEGCSA-N 0 3 233.311 1.929 20 10 BDCDHN [O-]c1c(O)cccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172222719 974457038 /nfs/dbraw/zinc/45/70/38/974457038.db2.gz GRZAHOJSGHIQAN-YOGCLGLASA-N 0 3 249.310 1.897 20 10 BDCDHN CCN(Cc1cccc(C)c1O)C1CN(C)C1 ZINC001231595191 977642001 /nfs/dbraw/zinc/64/20/01/977642001.db2.gz UNSAJUSCAFCEIG-UHFFFAOYSA-N 0 3 234.343 1.837 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(CCO2)CC1 ZINC001204279418 978942312 /nfs/dbraw/zinc/94/23/12/978942312.db2.gz YOAASBXLAQGEQI-UHFFFAOYSA-N 0 3 249.310 1.853 20 10 BDCDHN CCc1ccc(C[NH+]2CCC(O)CC2)c([O-])c1 ZINC001236783264 979722735 /nfs/dbraw/zinc/72/27/35/979722735.db2.gz IXPXCJXHGFEDIQ-UHFFFAOYSA-N 0 3 235.327 1.911 20 10 BDCDHN CN1CCC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203560522 979758414 /nfs/dbraw/zinc/75/84/14/979758414.db2.gz BQUUQZMOACIYHK-JSGCOSHPSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CCC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203560522 979758425 /nfs/dbraw/zinc/75/84/25/979758425.db2.gz BQUUQZMOACIYHK-JSGCOSHPSA-N 0 3 246.354 1.918 20 10 BDCDHN CCOc1ccc(C[NH+]2CCC2)c([O-])c1 ZINC001237045727 979808608 /nfs/dbraw/zinc/80/86/08/979808608.db2.gz SMDLYNIGUJVIHY-UHFFFAOYSA-N 0 3 207.273 1.997 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(CO)C1 ZINC001237486121 979909200 /nfs/dbraw/zinc/90/92/00/979909200.db2.gz VWZLRBIOSPURIO-CQSZACIVSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(CO)C1 ZINC001237486121 979909205 /nfs/dbraw/zinc/90/92/05/979909205.db2.gz VWZLRBIOSPURIO-CQSZACIVSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H]1CO ZINC001237484872 979911287 /nfs/dbraw/zinc/91/12/87/979911287.db2.gz JFYQMRCHCCMSHF-LLVKDONJSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H]1CO ZINC001237484872 979911293 /nfs/dbraw/zinc/91/12/93/979911293.db2.gz JFYQMRCHCCMSHF-LLVKDONJSA-N 0 3 221.300 1.657 20 10 BDCDHN C[C@H]([NH2+]CCOCCCO)c1ccccc1[O-] ZINC001345427236 980605898 /nfs/dbraw/zinc/60/58/98/980605898.db2.gz NTPCJFHAKJYVBK-NSHDSACASA-N 0 3 239.315 1.442 20 10 BDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1ccc(O)c(O)c1 ZINC001203884201 982595736 /nfs/dbraw/zinc/59/57/36/982595736.db2.gz TWDVTGJQSSTOJP-RYUDHWBXSA-N 0 3 248.326 1.376 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000877608210 983955554 /nfs/dbraw/zinc/95/55/54/983955554.db2.gz RMPDYCVKXDRFNL-JQWIXIFHSA-N 0 3 221.300 1.968 20 10 BDCDHN Cc1cc(C)c(CN2CC3(CCN3C)C2)c(O)c1 ZINC001276365097 986097320 /nfs/dbraw/zinc/09/73/20/986097320.db2.gz LBCGLPGWZWDHGD-UHFFFAOYSA-N 0 3 246.354 1.899 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH2+][C@H]1CCCOCC1 ZINC000393873912 986864101 /nfs/dbraw/zinc/86/41/01/986864101.db2.gz DVLVONKBSHXHHC-NSHDSACASA-N 0 3 237.299 1.757 20 10 BDCDHN [O-]c1c(F)cccc1C[N@@H+]1CCN2CC[C@@H]2C1 ZINC001138130940 990886173 /nfs/dbraw/zinc/88/61/73/990886173.db2.gz LYYWSJHBSDIOBA-LLVKDONJSA-N 0 3 236.290 1.421 20 10 BDCDHN [O-]c1c(F)cccc1C[N@H+]1CCN2CC[C@@H]2C1 ZINC001138130940 990886180 /nfs/dbraw/zinc/88/61/80/990886180.db2.gz LYYWSJHBSDIOBA-LLVKDONJSA-N 0 3 236.290 1.421 20 10 BDCDHN [O-]c1c(F)cccc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001138130940 990886181 /nfs/dbraw/zinc/88/61/81/990886181.db2.gz LYYWSJHBSDIOBA-LLVKDONJSA-N 0 3 236.290 1.421 20 10 BDCDHN [O-]c1c(F)cccc1CN1CC[N@H+]2CC[C@@H]2C1 ZINC001138130940 990886184 /nfs/dbraw/zinc/88/61/84/990886184.db2.gz LYYWSJHBSDIOBA-LLVKDONJSA-N 0 3 236.290 1.421 20 10 BDCDHN CC(C)CC[C@@H](N)C(=O)NCc1ccc(N)cc1 ZINC001263304256 993215482 /nfs/dbraw/zinc/21/54/82/993215482.db2.gz XAGBREMBPZHWMH-CYBMUJFWSA-N 0 3 249.358 1.649 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000272378027 187336218 /nfs/dbraw/zinc/33/62/18/187336218.db2.gz HIESWTNHJVMHHW-ZWNOBZJWSA-N 0 3 221.300 1.595 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000272378027 187336219 /nfs/dbraw/zinc/33/62/19/187336219.db2.gz HIESWTNHJVMHHW-ZWNOBZJWSA-N 0 3 221.300 1.595 20 10 BDCDHN CC(C)(O)C1C[NH+](Cc2ccccc2[O-])C1 ZINC000297464653 187255429 /nfs/dbraw/zinc/25/54/29/187255429.db2.gz RVCSSMGAXSISDY-UHFFFAOYSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801157 343355940 /nfs/dbraw/zinc/35/59/40/343355940.db2.gz QJTLUEHRABXUQI-SNVBAGLBSA-N 0 3 235.331 1.058 20 10 BDCDHN C[C@@H](CO)NCc1ccc2c(c1)CCO2 ZINC000037363050 343343917 /nfs/dbraw/zinc/34/39/17/343343917.db2.gz ZPBWOKDMTZENQZ-VIFPVBQESA-N 0 3 207.273 1.092 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CCC(CCO)CC1 ZINC000409422993 343814309 /nfs/dbraw/zinc/81/43/09/343814309.db2.gz KMVDNMYLCYSNET-UHFFFAOYSA-N 0 3 235.327 1.987 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000128233190 187297419 /nfs/dbraw/zinc/29/74/19/187297419.db2.gz XMQCEBJYXGJSSU-RYUDHWBXSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1cccc(C[NH+]2CC(CC(N)=O)C2)c1[O-] ZINC000297389802 179073622 /nfs/dbraw/zinc/07/36/22/179073622.db2.gz KKFGNFVOWXPGMF-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1[O-] ZINC000271841932 179077905 /nfs/dbraw/zinc/07/79/05/179077905.db2.gz TYWXWDHTQIGACN-LBPRGKRZSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC[C@H](CO)C2)c1[O-] ZINC000271841932 179077906 /nfs/dbraw/zinc/07/79/06/179077906.db2.gz TYWXWDHTQIGACN-LBPRGKRZSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2CCOC2)c1[O-] ZINC000162827745 179093492 /nfs/dbraw/zinc/09/34/92/179093492.db2.gz SLYUTELQIVDTRK-LLVKDONJSA-N 0 3 221.300 1.827 20 10 BDCDHN CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000189967859 347316732 /nfs/dbraw/zinc/31/67/32/347316732.db2.gz RISCGNHGUPMMPW-RYUDHWBXSA-N 0 3 239.290 1.780 20 10 BDCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000280482203 351846501 /nfs/dbraw/zinc/84/65/01/351846501.db2.gz OCUNZFHKZINSDQ-GFCCVEGCSA-N 0 3 221.300 1.595 20 10 BDCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000280482203 351846504 /nfs/dbraw/zinc/84/65/04/351846504.db2.gz OCUNZFHKZINSDQ-GFCCVEGCSA-N 0 3 221.300 1.595 20 10 BDCDHN CN(C)c1ccc(CN(C)C2(CO)CC2)cc1 ZINC000285589815 188034732 /nfs/dbraw/zinc/03/47/32/188034732.db2.gz ULMGQSOIHVXFHJ-UHFFFAOYSA-N 0 3 234.343 1.709 20 10 BDCDHN NC(=O)CC1CCN(Cc2ccc(N)cc2)CC1 ZINC000042427197 181220792 /nfs/dbraw/zinc/22/07/92/181220792.db2.gz YICABCGZJYJWQB-UHFFFAOYSA-N 0 3 247.342 1.356 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)N(C)C ZINC000296485257 364785654 /nfs/dbraw/zinc/78/56/54/364785654.db2.gz PHRCNGIOLKTTJG-GXSJLCMTSA-N 0 3 248.326 1.446 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372360485 183275073 /nfs/dbraw/zinc/27/50/73/183275073.db2.gz WXZXLBDSPNJPIS-LBPRGKRZSA-N 0 3 237.274 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372360485 183275075 /nfs/dbraw/zinc/27/50/75/183275075.db2.gz WXZXLBDSPNJPIS-LBPRGKRZSA-N 0 3 237.274 1.488 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCN2CCC1CC2 ZINC000377702729 183301463 /nfs/dbraw/zinc/30/14/63/183301463.db2.gz UTMFHFBZVRRGEJ-UHFFFAOYSA-N 0 3 232.327 1.672 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCN2CCC1CC2 ZINC000377702729 183301464 /nfs/dbraw/zinc/30/14/64/183301464.db2.gz UTMFHFBZVRRGEJ-UHFFFAOYSA-N 0 3 232.327 1.672 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038043826 183303227 /nfs/dbraw/zinc/30/32/27/183303227.db2.gz MHOKEGWTCXXCID-NSHDSACASA-N 0 3 221.300 1.908 20 10 BDCDHN C[C@H](CO)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000077421963 384066631 /nfs/dbraw/zinc/06/66/31/384066631.db2.gz JEZVMNNYFZAZIL-ZJUUUORDSA-N 0 3 209.289 1.499 20 10 BDCDHN COC[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000132743478 384247369 /nfs/dbraw/zinc/24/73/69/384247369.db2.gz AKCDPQCDSSTUHE-LLVKDONJSA-N 0 3 221.300 1.861 20 10 BDCDHN COC[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000132743478 384247374 /nfs/dbraw/zinc/24/73/74/384247374.db2.gz AKCDPQCDSSTUHE-LLVKDONJSA-N 0 3 221.300 1.861 20 10 BDCDHN CC[N@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000160245636 384397445 /nfs/dbraw/zinc/39/74/45/384397445.db2.gz HKHIOTQIMHLIIO-UHFFFAOYSA-N 0 3 225.288 1.861 20 10 BDCDHN CC[N@@H+](C)Cc1cc(OC)c(OC)cc1[O-] ZINC000160245636 384397452 /nfs/dbraw/zinc/39/74/52/384397452.db2.gz HKHIOTQIMHLIIO-UHFFFAOYSA-N 0 3 225.288 1.861 20 10 BDCDHN Nc1ccc(NC(=O)[C@H]2CCCCN2)cc1 ZINC000160338128 384401814 /nfs/dbraw/zinc/40/18/14/384401814.db2.gz AUXBWFKJZCBIBL-LLVKDONJSA-N 0 3 219.288 1.349 20 10 BDCDHN CC[C@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020194911 384591653 /nfs/dbraw/zinc/59/16/53/384591653.db2.gz PFCWRTFIVYPSDM-NXEZZACHSA-N 0 3 209.289 1.814 20 10 BDCDHN CC[C@H](CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000020195052 384593001 /nfs/dbraw/zinc/59/30/01/384593001.db2.gz VCRWLFYNVIOENQ-SNVBAGLBSA-N 0 3 225.288 1.261 20 10 BDCDHN Cc1cccc(C[NH2+]CCCCCO)c1[O-] ZINC000083352853 384761196 /nfs/dbraw/zinc/76/11/96/384761196.db2.gz OUGPFEIEKIPHGU-UHFFFAOYSA-N 0 3 223.316 1.953 20 10 BDCDHN C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000130164172 385225493 /nfs/dbraw/zinc/22/54/93/385225493.db2.gz OXDNMDUOAKECFR-QWRGUYRKSA-N 0 3 222.332 1.993 20 10 BDCDHN C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1[O-] ZINC000167431496 385313907 /nfs/dbraw/zinc/31/39/07/385313907.db2.gz NVBZARJTRSCYCU-JTQLQIEISA-N 0 3 248.326 1.569 20 10 BDCDHN CC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000229970523 385694007 /nfs/dbraw/zinc/69/40/07/385694007.db2.gz ATUQDPYVNRMQIP-SCZZXKLOSA-N 0 3 227.279 1.953 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273564586 385857033 /nfs/dbraw/zinc/85/70/33/385857033.db2.gz JCVRFFBKBLRGON-QWRGUYRKSA-N 0 3 248.326 1.582 20 10 BDCDHN Cc1nc(CC[N@@H+](C)Cc2ccccc2[O-])no1 ZINC000272317246 385893736 /nfs/dbraw/zinc/89/37/36/385893736.db2.gz STRPMJGWVUOFRK-UHFFFAOYSA-N 0 3 247.298 1.758 20 10 BDCDHN Cc1nc(CC[N@H+](C)Cc2ccccc2[O-])no1 ZINC000272317246 385893740 /nfs/dbraw/zinc/89/37/40/385893740.db2.gz STRPMJGWVUOFRK-UHFFFAOYSA-N 0 3 247.298 1.758 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCc2cn[nH]c2)c1 ZINC000289886410 385936015 /nfs/dbraw/zinc/93/60/15/385936015.db2.gz QCUXBQYZSQYRDH-UHFFFAOYSA-N 0 3 231.299 1.756 20 10 BDCDHN COC[C@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000234827678 386104779 /nfs/dbraw/zinc/10/47/79/386104779.db2.gz VDEGACKVQUGGBT-UWVGGRQHSA-N 0 3 225.288 1.050 20 10 BDCDHN COC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000234899302 386114422 /nfs/dbraw/zinc/11/44/22/386114422.db2.gz VASWKLQCASEKSW-GHMZBOCLSA-N 0 3 239.315 1.359 20 10 BDCDHN C[C@H](CCN(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226588596 386341739 /nfs/dbraw/zinc/34/17/39/386341739.db2.gz PNRNHKHQDXNWTK-SNVBAGLBSA-N 0 3 240.322 1.961 20 10 BDCDHN CC[C@H](O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226616552 386343612 /nfs/dbraw/zinc/34/36/12/386343612.db2.gz SDLVTNZXHNJKAD-NSHDSACASA-N 0 3 227.279 1.782 20 10 BDCDHN C[C@@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000226617975 386344538 /nfs/dbraw/zinc/34/45/38/386344538.db2.gz AYWIXZYERFAXMN-GFCCVEGCSA-N 0 3 225.263 1.800 20 10 BDCDHN COC[C@H](C[NH2+]Cc1cccc(C)c1[O-])OC ZINC000227717483 386506900 /nfs/dbraw/zinc/50/69/00/386506900.db2.gz YRIDWAUUYZRFNY-LBPRGKRZSA-N 0 3 239.315 1.452 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000295907312 386706093 /nfs/dbraw/zinc/70/60/93/386706093.db2.gz IYUCEQYNSRSHPF-QNSHHTMESA-N 0 3 225.263 1.705 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000295851587 386708566 /nfs/dbraw/zinc/70/85/66/386708566.db2.gz DYLBHEQSEROZOG-MXWKQRLJSA-N 0 3 221.300 1.875 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]CC2COC2)c1 ZINC000527818215 387706551 /nfs/dbraw/zinc/70/65/51/387706551.db2.gz RDSVKYRLRGQZPT-UHFFFAOYSA-N 0 3 237.299 1.527 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]CC2COC2)c([O-])c1 ZINC000528023048 387828811 /nfs/dbraw/zinc/82/88/11/387828811.db2.gz CDQDPEOVRRAVDJ-JTQLQIEISA-N 0 3 221.300 1.998 20 10 BDCDHN COC[C@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179946246 397854535 /nfs/dbraw/zinc/85/45/35/397854535.db2.gz XPYAMPIHHQYYAI-VIFPVBQESA-N 0 3 227.279 1.998 20 10 BDCDHN COC[C@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179946246 397854537 /nfs/dbraw/zinc/85/45/37/397854537.db2.gz XPYAMPIHHQYYAI-VIFPVBQESA-N 0 3 227.279 1.998 20 10 BDCDHN CC1(CO)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000184072393 168051740 /nfs/dbraw/zinc/05/17/40/168051740.db2.gz FKRHECHIZGFOOK-UHFFFAOYSA-N 0 3 235.327 1.987 20 10 BDCDHN CCOCCN(C)Cc1cccc(OC)c1O ZINC000156089449 170389970 /nfs/dbraw/zinc/38/99/70/170389970.db2.gz PBLBPMPPFUEHRX-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CC[C@@](C)(CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070898938 171169087 /nfs/dbraw/zinc/16/90/87/171169087.db2.gz YQARMFVPMKLKHF-ZDUSSCGKSA-N 0 3 223.316 1.951 20 10 BDCDHN CN(C)C/C=C/C(=O)N(C)Cc1ccccc1O ZINC000265882953 172398187 /nfs/dbraw/zinc/39/81/87/172398187.db2.gz JIKVDQJCEPWMIT-RMKNXTFCSA-N 0 3 248.326 1.468 20 10 BDCDHN CN1C[C@@H]([NH2+]Cc2ccccc2[O-])CCC1=O ZINC000077899907 173187328 /nfs/dbraw/zinc/18/73/28/173187328.db2.gz JIJXAVNNPXPKQT-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN CNC(=O)[C@@H]1CCCN1Cc1cc(C)ccc1O ZINC000133592127 173298505 /nfs/dbraw/zinc/29/85/05/173298505.db2.gz PYGOEHZCAVGMLU-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN CNC(=O)[C@H](C)C[N@H+](C)Cc1ccccc1[O-] ZINC000179585201 173301079 /nfs/dbraw/zinc/30/10/79/173301079.db2.gz QQYHCLCNLLIRGF-SNVBAGLBSA-N 0 3 236.315 1.206 20 10 BDCDHN CNC(=O)[C@H](C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000179585201 173301080 /nfs/dbraw/zinc/30/10/80/173301080.db2.gz QQYHCLCNLLIRGF-SNVBAGLBSA-N 0 3 236.315 1.206 20 10 BDCDHN CNC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000228099606 173308872 /nfs/dbraw/zinc/30/88/72/173308872.db2.gz XNAHWMJRMPYMGI-CQSZACIVSA-N 0 3 248.326 1.350 20 10 BDCDHN CNC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000228099606 173308873 /nfs/dbraw/zinc/30/88/73/173308873.db2.gz XNAHWMJRMPYMGI-CQSZACIVSA-N 0 3 248.326 1.350 20 10 BDCDHN COCCC[N@H+](C)Cc1ccccc1[O-] ZINC000096477927 174217729 /nfs/dbraw/zinc/21/77/29/174217729.db2.gz AZKYQBDAGWENAW-UHFFFAOYSA-N 0 3 209.289 1.861 20 10 BDCDHN COCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000096477927 174217731 /nfs/dbraw/zinc/21/77/31/174217731.db2.gz AZKYQBDAGWENAW-UHFFFAOYSA-N 0 3 209.289 1.861 20 10 BDCDHN COCCOCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000071408665 174357870 /nfs/dbraw/zinc/35/78/70/174357870.db2.gz WLZYRNQJCXJYCI-UHFFFAOYSA-N 0 3 239.315 1.453 20 10 BDCDHN COc1ccc(CNC[C@@H](C)O)cc1C ZINC000035052332 175107159 /nfs/dbraw/zinc/10/71/59/175107159.db2.gz SXZXRHPWASCLLV-SNVBAGLBSA-N 0 3 209.289 1.474 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CCC(C)(C)O)c1 ZINC000274992889 175159023 /nfs/dbraw/zinc/15/90/23/175159023.db2.gz ZLDAHXZTTPNVRA-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@]2(C)CCOC2)c1 ZINC000164777317 175159090 /nfs/dbraw/zinc/15/90/90/175159090.db2.gz NPFLHJUTEDWAKO-ZDUSSCGKSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](C)CO)c1 ZINC000164726346 175159573 /nfs/dbraw/zinc/15/95/73/175159573.db2.gz WJEAKVSQMSCISL-ZJUUUORDSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CO)c1 ZINC000035602999 175160486 /nfs/dbraw/zinc/16/04/86/175160486.db2.gz DUYOAJLSKAHSLA-DTWKUNHWSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1cccc(C[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000097435948 175264928 /nfs/dbraw/zinc/26/49/28/175264928.db2.gz ZZJPCKYWHGOAKS-JTQLQIEISA-N 0 3 239.315 1.509 20 10 BDCDHN COc1cccc(C[NH2+][C@@H](C)[C@H](C)OC)c1[O-] ZINC000189106839 175266360 /nfs/dbraw/zinc/26/63/60/175266360.db2.gz HKNJXTOKHNKFBH-UWVGGRQHSA-N 0 3 239.315 1.914 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1[O-] ZINC000042544117 176899024 /nfs/dbraw/zinc/89/90/24/176899024.db2.gz APWITNXQFKBVDN-WDEREUQCSA-N 0 3 220.316 1.747 20 10 BDCDHN C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccccc1[O-] ZINC000290144725 177325445 /nfs/dbraw/zinc/32/54/45/177325445.db2.gz KPMDALLQQACRHE-RYUDHWBXSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1C[C@@H](CO)CC[N@H+]1Cc1ccccc1[O-] ZINC000290144725 177325446 /nfs/dbraw/zinc/32/54/46/177325446.db2.gz KPMDALLQQACRHE-RYUDHWBXSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]([NH2+]CC1COC1)c1ccccc1[O-] ZINC000528028387 262903630 /nfs/dbraw/zinc/90/36/30/262903630.db2.gz WVJLIFSPEXLXHA-VIFPVBQESA-N 0 3 207.273 1.689 20 10 BDCDHN CN(C)c1ccc(CN2C[C@H](O)C3(CC3)C2)cc1 ZINC000373513713 490142305 /nfs/dbraw/zinc/14/23/05/490142305.db2.gz DAOVGGNPFGABTI-AWEZNQCLSA-N 0 3 246.354 1.709 20 10 BDCDHN C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1[O-] ZINC000725848867 582904568 /nfs/dbraw/zinc/90/45/68/582904568.db2.gz AHMBCBIJUSOIBD-SNVBAGLBSA-N 0 3 232.287 1.162 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)c1[O-] ZINC000814173158 583342409 /nfs/dbraw/zinc/34/24/09/583342409.db2.gz HDIXITNLYCAHNU-JSGCOSHPSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)c1[O-] ZINC000814173158 583342412 /nfs/dbraw/zinc/34/24/12/583342412.db2.gz HDIXITNLYCAHNU-JSGCOSHPSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2COCO2)cc1C ZINC000894871976 583540293 /nfs/dbraw/zinc/54/02/93/583540293.db2.gz HOIIHCOPCXCVDQ-GFCCVEGCSA-N 0 3 237.299 1.472 20 10 BDCDHN CC1=NO[C@H](C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000895302965 583644907 /nfs/dbraw/zinc/64/49/07/583644907.db2.gz XZFXGRXGLJFPSI-LBPRGKRZSA-N 0 3 234.299 1.955 20 10 BDCDHN COCC1C[NH+](Cc2cc(C)ccc2[O-])C1 ZINC000895971957 583756409 /nfs/dbraw/zinc/75/64/09/583756409.db2.gz YUHCRXSXXOARJO-UHFFFAOYSA-N 0 3 221.300 1.779 20 10 BDCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000897681308 584039375 /nfs/dbraw/zinc/03/93/75/584039375.db2.gz QTPLAMHWUUHTPT-UFBFGSQYSA-N 0 3 225.263 1.344 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000897681308 584039377 /nfs/dbraw/zinc/03/93/77/584039377.db2.gz QTPLAMHWUUHTPT-UFBFGSQYSA-N 0 3 225.263 1.344 20 10 BDCDHN CC[N@H+](CCC(=O)NC)Cc1ccccc1[O-] ZINC000897709337 584042425 /nfs/dbraw/zinc/04/24/25/584042425.db2.gz AZLFPZLPUXKLPX-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN CC[N@@H+](CCC(=O)NC)Cc1ccccc1[O-] ZINC000897709337 584042426 /nfs/dbraw/zinc/04/24/26/584042426.db2.gz AZLFPZLPUXKLPX-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN CCOc1ccc(CN[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000841045418 584122210 /nfs/dbraw/zinc/12/22/10/584122210.db2.gz URSGMHLZNPNYPD-NSHDSACASA-N 0 3 236.315 1.242 20 10 BDCDHN NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000858495300 588960531 /nfs/dbraw/zinc/96/05/31/588960531.db2.gz ZZJOHHPFGSZTEA-DCAQKATOSA-N 0 3 246.310 1.233 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000858494054 588960561 /nfs/dbraw/zinc/96/05/61/588960561.db2.gz MAFRFUJZWHDJAO-OPRDCNLKSA-N 0 3 234.299 1.307 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]CC2COC2)c1[O-] ZINC000858551831 588964689 /nfs/dbraw/zinc/96/46/89/588964689.db2.gz ALZMPRDLXQYEQN-VIFPVBQESA-N 0 3 237.299 1.698 20 10 BDCDHN C[C@@H]1C[NH2+]C[C@H]1CNCc1cccc(F)c1[O-] ZINC000903964303 584833791 /nfs/dbraw/zinc/83/37/91/584833791.db2.gz IRUGAKDCXIVHCU-KOLCDFICSA-N 0 3 238.306 1.476 20 10 BDCDHN C[C@@H]1C[NH2+]C[C@H]1NCc1cc(F)ccc1[O-] ZINC000903964818 584834758 /nfs/dbraw/zinc/83/47/58/584834758.db2.gz WLYSJNIGXMSIBM-LDYMZIIASA-N 0 3 224.279 1.229 20 10 BDCDHN CCOc1ccc(C[NH2+]CC[C@H](C)O)c([O-])c1 ZINC000758478976 584905814 /nfs/dbraw/zinc/90/58/14/584905814.db2.gz AAHWJYFMZVOPGK-JTQLQIEISA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817972238 584993650 /nfs/dbraw/zinc/99/36/50/584993650.db2.gz KLTCAIXGKILTEB-YUMQZZPRSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000838916121 585078152 /nfs/dbraw/zinc/07/81/52/585078152.db2.gz DVFBHNBAXFUJPT-MNOVXSKESA-N 0 3 248.326 1.569 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000838916124 585078229 /nfs/dbraw/zinc/07/82/29/585078229.db2.gz DVFBHNBAXFUJPT-QWRGUYRKSA-N 0 3 248.326 1.569 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@H](CO)C2CC2)cc1C ZINC000742371116 585125275 /nfs/dbraw/zinc/12/52/75/585125275.db2.gz IBSRCCMLQUUUCU-CYBMUJFWSA-N 0 3 235.327 1.870 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@@H](C)CC(N)=O)cc1C ZINC000746474459 585168411 /nfs/dbraw/zinc/16/84/11/585168411.db2.gz CQUXXETXBDXTJC-JTQLQIEISA-N 0 3 236.315 1.363 20 10 BDCDHN C[C@H](CC[NH+](C)C)NC(=O)c1cc([O-])cs1 ZINC000748362323 585191805 /nfs/dbraw/zinc/19/18/05/585191805.db2.gz FCEQSGCLMOHSHS-MRVPVSSYSA-N 0 3 242.344 1.524 20 10 BDCDHN COc1cccc(O)c1CN(C)C1CC(O)C1 ZINC000761223228 585412491 /nfs/dbraw/zinc/41/24/91/585412491.db2.gz NPGFESQJKIMPAD-UHFFFAOYSA-N 0 3 237.299 1.356 20 10 BDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768439915 585538272 /nfs/dbraw/zinc/53/82/72/585538272.db2.gz ACURHDAIXZJSGT-LBPRGKRZSA-N 0 3 235.283 1.412 20 10 BDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768439915 585538273 /nfs/dbraw/zinc/53/82/73/585538273.db2.gz ACURHDAIXZJSGT-LBPRGKRZSA-N 0 3 235.283 1.412 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](CO)C1 ZINC000769246243 585551614 /nfs/dbraw/zinc/55/16/14/585551614.db2.gz YGKPVIDPQMTBMF-JTQLQIEISA-N 0 3 237.299 1.215 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](CO)C1 ZINC000769246243 585551615 /nfs/dbraw/zinc/55/16/15/585551615.db2.gz YGKPVIDPQMTBMF-JTQLQIEISA-N 0 3 237.299 1.215 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000769541440 585559125 /nfs/dbraw/zinc/55/91/25/585559125.db2.gz BFILHFLJJYUQEH-CYBMUJFWSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@](C)(O)C1 ZINC000769541440 585559126 /nfs/dbraw/zinc/55/91/26/585559126.db2.gz BFILHFLJJYUQEH-CYBMUJFWSA-N 0 3 237.299 1.358 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])[C@H](C)CN1C ZINC000775987318 585688799 /nfs/dbraw/zinc/68/87/99/585688799.db2.gz VKSQXHBMKHJWEF-VXGBXAGGSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])[C@H](C)CN1C ZINC000775987318 585688800 /nfs/dbraw/zinc/68/88/00/585688800.db2.gz VKSQXHBMKHJWEF-VXGBXAGGSA-N 0 3 234.343 1.917 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)C2CC2)c1 ZINC000776176981 585691786 /nfs/dbraw/zinc/69/17/86/585691786.db2.gz HDTFAGCSZVLGJJ-LBPRGKRZSA-N 0 3 237.299 1.261 20 10 BDCDHN CNC(=O)C1([NH2+]Cc2ccccc2[O-])CCCC1 ZINC000779173072 585746800 /nfs/dbraw/zinc/74/68/00/585746800.db2.gz AOYBXIHVADVTHJ-UHFFFAOYSA-N 0 3 248.326 1.541 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788270956 585920653 /nfs/dbraw/zinc/92/06/53/585920653.db2.gz XPABBELVVIWMFU-MWLCHTKSSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788270956 585920654 /nfs/dbraw/zinc/92/06/54/585920654.db2.gz XPABBELVVIWMFU-MWLCHTKSSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCCCCO ZINC000790483812 585965254 /nfs/dbraw/zinc/96/52/54/585965254.db2.gz SXNJQVCFYBJIEJ-UHFFFAOYSA-N 0 3 239.315 1.653 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)CCCO ZINC000799738951 586195450 /nfs/dbraw/zinc/19/54/50/586195450.db2.gz DBRHTOSDSOOBKH-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)CCCO ZINC000799738951 586195454 /nfs/dbraw/zinc/19/54/54/586195454.db2.gz DBRHTOSDSOOBKH-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000801733378 586269862 /nfs/dbraw/zinc/26/98/62/586269862.db2.gz DRIXKLDRVRFCPG-LBPRGKRZSA-N 0 3 248.326 1.539 20 10 BDCDHN COC[C@H]1CCN1Cc1c(O)cccc1OC ZINC000816637178 586746410 /nfs/dbraw/zinc/74/64/10/586746410.db2.gz VRAPMELJBWHFLD-SNVBAGLBSA-N 0 3 237.299 1.622 20 10 BDCDHN C[C@@H]([NH2+]CCCN)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817938984 586844461 /nfs/dbraw/zinc/84/44/61/586844461.db2.gz WXVKOMYHCXGZRL-MRVPVSSYSA-N 0 3 239.275 1.300 20 10 BDCDHN C[C@@H](NCCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817938984 586844462 /nfs/dbraw/zinc/84/44/62/586844462.db2.gz WXVKOMYHCXGZRL-MRVPVSSYSA-N 0 3 239.275 1.300 20 10 BDCDHN C[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817945300 586845864 /nfs/dbraw/zinc/84/58/64/586845864.db2.gz ZBPSFXMPMBJCFF-PSASIEDQSA-N 0 3 224.279 1.544 20 10 BDCDHN Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]C2)c([O-])c1 ZINC000817944587 586846653 /nfs/dbraw/zinc/84/66/53/586846653.db2.gz HGRSXBNSDIXAFX-WDEREUQCSA-N 0 3 220.316 1.713 20 10 BDCDHN C[NH2+]CCN[C@@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817952592 586847755 /nfs/dbraw/zinc/84/77/55/586847755.db2.gz RULDXIWTMGXGDA-WCBMZHEXSA-N 0 3 238.306 1.889 20 10 BDCDHN Cc1cc(Cl)cc([C@H](C)NC2C[NH2+]C2)c1[O-] ZINC000817956311 586849601 /nfs/dbraw/zinc/84/96/01/586849601.db2.gz WGZMAMLLKNRBPT-QMMMGPOBSA-N 0 3 240.734 1.976 20 10 BDCDHN C[C@@H]1C[C@H](NC2C[NH2+]C2)c2c1c(F)ccc2[O-] ZINC000817955442 586849622 /nfs/dbraw/zinc/84/96/22/586849622.db2.gz AVZBVQWXOLELBU-XCBNKYQSSA-N 0 3 236.290 1.641 20 10 BDCDHN NC[C@@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000817960267 586851188 /nfs/dbraw/zinc/85/11/88/586851188.db2.gz LHBYWTJRECOYTK-VXGBXAGGSA-N 0 3 232.327 1.706 20 10 BDCDHN C[C@H](CN)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817966283 586855071 /nfs/dbraw/zinc/85/50/71/586855071.db2.gz KHDXHVNKKFDADO-SFYZADRCSA-N 0 3 212.268 1.529 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]1O)CC2 ZINC000818358282 586888907 /nfs/dbraw/zinc/88/89/07/586888907.db2.gz SRRYNPUUXFDBGR-GMTAPVOTSA-N 0 3 219.284 1.492 20 10 BDCDHN C[NH+](C)CCCNC(=O)c1cc([O-])cs1 ZINC000823645758 587234326 /nfs/dbraw/zinc/23/43/26/587234326.db2.gz RPZOXHHBKOJTKH-UHFFFAOYSA-N 0 3 228.317 1.135 20 10 BDCDHN CC[C@H](CO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000824533275 587273863 /nfs/dbraw/zinc/27/38/63/587273863.db2.gz COGCNRULADXUIM-LLVKDONJSA-N 0 3 227.279 1.734 20 10 BDCDHN CC[C@H](CO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000824533275 587273864 /nfs/dbraw/zinc/27/38/64/587273864.db2.gz COGCNRULADXUIM-LLVKDONJSA-N 0 3 227.279 1.734 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000825257064 587311541 /nfs/dbraw/zinc/31/15/41/587311541.db2.gz SSBAMZHCRLBOTD-BBBLOLIVSA-N 0 3 237.299 1.575 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1 ZINC000825311807 587314055 /nfs/dbraw/zinc/31/40/55/587314055.db2.gz OIZZMTGOYZLWEJ-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)C[C@H](O)C2)c1 ZINC000825311807 587314057 /nfs/dbraw/zinc/31/40/57/587314057.db2.gz OIZZMTGOYZLWEJ-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN COc1ccc(O)c(CN2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827289875 587375420 /nfs/dbraw/zinc/37/54/20/587375420.db2.gz DOAIPLUTUUVMRJ-SMDDNHRTSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827289875 587375421 /nfs/dbraw/zinc/37/54/21/587375421.db2.gz DOAIPLUTUUVMRJ-SMDDNHRTSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827289875 587375422 /nfs/dbraw/zinc/37/54/22/587375422.db2.gz DOAIPLUTUUVMRJ-SMDDNHRTSA-N 0 3 249.310 1.358 20 10 BDCDHN Nc1ccc(NC(=O)[C@@H](N)C2CCC2)cc1 ZINC000832250164 587651967 /nfs/dbraw/zinc/65/19/67/587651967.db2.gz LKTKEVPOBDDNLF-NSHDSACASA-N 0 3 219.288 1.335 20 10 BDCDHN CC(C)C(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832284805 587653398 /nfs/dbraw/zinc/65/33/98/587653398.db2.gz MSFTVTFPJIOEIO-ZDUSSCGKSA-N 0 3 249.358 1.525 20 10 BDCDHN CC[NH2+]CCNCc1cccc(F)c1[O-] ZINC000841037184 587937724 /nfs/dbraw/zinc/93/77/24/587937724.db2.gz PURVAHRGLRTZAK-UHFFFAOYSA-N 0 3 212.268 1.230 20 10 BDCDHN CCNCC[NH2+]Cc1cccc(F)c1[O-] ZINC000841037184 587937725 /nfs/dbraw/zinc/93/77/25/587937725.db2.gz PURVAHRGLRTZAK-UHFFFAOYSA-N 0 3 212.268 1.230 20 10 BDCDHN [O-]c1ccc(Cl)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000841036716 587937866 /nfs/dbraw/zinc/93/78/66/587937866.db2.gz WGRBEZAYUHWODN-NSHDSACASA-N 0 3 240.734 1.887 20 10 BDCDHN COc1cccc([O-])c1CN[C@H]1CCC[NH2+]C1 ZINC000841043053 587939280 /nfs/dbraw/zinc/93/92/80/587939280.db2.gz NMWFCPACTATEMC-JTQLQIEISA-N 0 3 236.315 1.242 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCCNCC1 ZINC000841057115 587940852 /nfs/dbraw/zinc/94/08/52/587940852.db2.gz IIWGIKRDQRQXJH-LLVKDONJSA-N 0 3 238.306 1.763 20 10 BDCDHN CC[C@H]([NH3+])CNCc1cccc(Cl)c1[O-] ZINC000841071340 587942352 /nfs/dbraw/zinc/94/23/52/587942352.db2.gz DIWCNMZYVQXFEE-VIFPVBQESA-N 0 3 228.723 1.873 20 10 BDCDHN [O-]c1c(F)cccc1CN[C@H]1CCCC[NH2+]C1 ZINC000841090366 587945812 /nfs/dbraw/zinc/94/58/12/587945812.db2.gz OJOXDCDMPDOOBK-NSHDSACASA-N 0 3 238.306 1.763 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+][C@H]1CCCCNC1 ZINC000841090366 587945813 /nfs/dbraw/zinc/94/58/13/587945813.db2.gz OJOXDCDMPDOOBK-NSHDSACASA-N 0 3 238.306 1.763 20 10 BDCDHN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)CN1 ZINC000841849469 587977777 /nfs/dbraw/zinc/97/77/77/587977777.db2.gz WHRDXWPTDQCMCG-MNOVXSKESA-N 0 3 247.342 1.020 20 10 BDCDHN CCOc1ccc(CN(C)[C@H](C)C[NH3+])c([O-])c1 ZINC000843051474 588077233 /nfs/dbraw/zinc/07/72/33/588077233.db2.gz JCJWSNPWPBXJRQ-SNVBAGLBSA-N 0 3 238.331 1.570 20 10 BDCDHN C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccccc1[O-] ZINC000843121696 588083167 /nfs/dbraw/zinc/08/31/67/588083167.db2.gz HPBRANHVWCYTIR-RYUDHWBXSA-N 0 3 238.306 1.524 20 10 BDCDHN COc1cccc([O-])c1CN(C)C1CC([NH3+])C1 ZINC000843125278 588083221 /nfs/dbraw/zinc/08/32/21/588083221.db2.gz QRGLJMIGSDCOLP-UHFFFAOYSA-N 0 3 236.315 1.322 20 10 BDCDHN CCOc1ccc(CN(C)C2C[NH2+]C2)c([O-])c1 ZINC000843124972 588083700 /nfs/dbraw/zinc/08/37/00/588083700.db2.gz SWZGQQQKXCJGGN-UHFFFAOYSA-N 0 3 236.315 1.195 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]C[C@@H](C)O)c1[O-] ZINC000846138307 588258471 /nfs/dbraw/zinc/25/84/71/588258471.db2.gz QEOVCYYSVFFBJN-RKDXNWHRSA-N 0 3 225.288 1.432 20 10 BDCDHN CC[C@H](CO)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846135201 588258579 /nfs/dbraw/zinc/25/85/79/588258579.db2.gz CBSCDJISGIIBOI-NXEZZACHSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@H](C)CCO)c1[O-] ZINC000846148454 588258630 /nfs/dbraw/zinc/25/86/30/588258630.db2.gz ZQIAZJMAXXYUFA-NXEZZACHSA-N 0 3 239.315 1.822 20 10 BDCDHN NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000846195731 588259630 /nfs/dbraw/zinc/25/96/30/588259630.db2.gz ZZJOHHPFGSZTEA-AXFHLTTASA-N 0 3 246.310 1.233 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H](CO)CCF)CC2 ZINC000846210321 588259696 /nfs/dbraw/zinc/25/96/96/588259696.db2.gz XZNCRZMAPNEVPG-WDEREUQCSA-N 0 3 239.290 1.690 20 10 BDCDHN CCc1cccc(C[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000848915532 588420404 /nfs/dbraw/zinc/42/04/04/588420404.db2.gz XEZRYJMLCMSVSR-TXEJJXNPSA-N 0 3 221.300 1.568 20 10 BDCDHN COc1ccc(CNC2=[NH+]CCCN2C)c([O-])c1 ZINC000849025190 588440231 /nfs/dbraw/zinc/44/02/31/588440231.db2.gz SIWQLUPJLRVUKL-UHFFFAOYSA-N 0 3 249.314 1.182 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C/C=C\CO ZINC000850358032 588539028 /nfs/dbraw/zinc/53/90/28/588539028.db2.gz ZRFDDFAJGGPTQD-IHWYPQMZSA-N 0 3 223.272 1.039 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000850578798 588561723 /nfs/dbraw/zinc/56/17/23/588561723.db2.gz NZAITOBZQDNQSU-GUBZILKMSA-N 0 3 207.273 1.566 20 10 BDCDHN Nc1ccc(NC(=O)C2(N)CC3(CCC3)C2)cc1 ZINC000851633719 588612181 /nfs/dbraw/zinc/61/21/81/588612181.db2.gz QXPAGBNDAMOZTD-UHFFFAOYSA-N 0 3 245.326 1.869 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1[O-] ZINC000862546114 589219853 /nfs/dbraw/zinc/21/98/53/589219853.db2.gz GYVLWTFVJMTNGS-VXGBXAGGSA-N 0 3 247.294 1.305 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1[O-] ZINC000862546114 589219854 /nfs/dbraw/zinc/21/98/54/589219854.db2.gz GYVLWTFVJMTNGS-VXGBXAGGSA-N 0 3 247.294 1.305 20 10 BDCDHN C[C@@H](NC(=O)[C@H](N)C1CCC1)c1ccccc1O ZINC000870988561 589706623 /nfs/dbraw/zinc/70/66/23/589706623.db2.gz SNMSONWTUKBZNJ-NOZJJQNGSA-N 0 3 248.326 1.697 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccccc1[O-] ZINC000872141369 589882527 /nfs/dbraw/zinc/88/25/27/589882527.db2.gz UCYPRVWXPPAQMV-IRUJWGPZSA-N 0 3 237.299 1.193 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC000876528125 590209264 /nfs/dbraw/zinc/20/92/64/590209264.db2.gz PXCUDPZUZNUCQR-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC000876528125 590209265 /nfs/dbraw/zinc/20/92/65/590209265.db2.gz PXCUDPZUZNUCQR-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1O ZINC000876814351 590245694 /nfs/dbraw/zinc/24/56/94/590245694.db2.gz DZQCRRINBWYFHW-FZMZJTMJSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1O ZINC000876814351 590245696 /nfs/dbraw/zinc/24/56/96/590245696.db2.gz DZQCRRINBWYFHW-FZMZJTMJSA-N 0 3 235.327 1.903 20 10 BDCDHN CC(=O)NCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876911905 590255941 /nfs/dbraw/zinc/25/59/41/590255941.db2.gz AHFKXEGLGIIYRG-UHFFFAOYSA-N 0 3 236.315 1.316 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)c([O-])c1 ZINC000876965719 590262079 /nfs/dbraw/zinc/26/20/79/590262079.db2.gz IUGPIJGFNFSJLY-SNVBAGLBSA-N 0 3 249.232 1.713 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)C2)c([O-])c1 ZINC000877019457 590269915 /nfs/dbraw/zinc/26/99/15/590269915.db2.gz MQGXBXRWLOEXRE-GFCCVEGCSA-N 0 3 220.316 1.494 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@](C)(O)C1CC1 ZINC000877028654 590271437 /nfs/dbraw/zinc/27/14/37/590271437.db2.gz CFGVHBCSEBKTLH-AWEZNQCLSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)C(C)C ZINC000877037436 590273053 /nfs/dbraw/zinc/27/30/53/590273053.db2.gz QUGMCFQKSJATEJ-ZDUSSCGKSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)c([O-])c1 ZINC000877057452 590275885 /nfs/dbraw/zinc/27/58/85/590275885.db2.gz FCUHILBRTHWRCN-MNOVXSKESA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000877071443 590277518 /nfs/dbraw/zinc/27/75/18/590277518.db2.gz NWOMKGZRVDBHPS-YPMHNXCESA-N 0 3 235.327 1.951 20 10 BDCDHN CC[C@@H](NC)C(=O)N(C)c1ccc(N)cc1 ZINC000877074166 590278172 /nfs/dbraw/zinc/27/81/72/590278172.db2.gz APMFCCULQPHAKX-LLVKDONJSA-N 0 3 221.304 1.230 20 10 BDCDHN C[C@H]1CCN[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877076699 590278963 /nfs/dbraw/zinc/27/89/63/590278963.db2.gz UDDXLQQQDSQLFI-GWCFXTLKSA-N 0 3 247.342 1.620 20 10 BDCDHN CN(C(=O)[C@H](N)CC(F)F)c1ccc(N)cc1 ZINC000877077750 590279358 /nfs/dbraw/zinc/27/93/58/590279358.db2.gz SSMMNQPZYHSYPM-SECBINFHSA-N 0 3 243.257 1.214 20 10 BDCDHN COC[C@@H](O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877125508 590290154 /nfs/dbraw/zinc/29/01/54/590290154.db2.gz OBNASCVAGPFPHK-LBPRGKRZSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc(C[NH2+]CCCOCCO)c([O-])c1 ZINC000877184912 590298464 /nfs/dbraw/zinc/29/84/64/590298464.db2.gz SSEICHBFSNXCPQ-UHFFFAOYSA-N 0 3 239.315 1.189 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000877534754 590349765 /nfs/dbraw/zinc/34/97/65/590349765.db2.gz GWLQLBDDLDVGNX-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000877534754 590349768 /nfs/dbraw/zinc/34/97/68/590349768.db2.gz GWLQLBDDLDVGNX-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000877534755 590349923 /nfs/dbraw/zinc/34/99/23/590349923.db2.gz GWLQLBDDLDVGNX-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000877534755 590349924 /nfs/dbraw/zinc/34/99/24/590349924.db2.gz GWLQLBDDLDVGNX-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(CN2CCC[C@@H]2C(N)=O)c(O)c1 ZINC000877569112 590362278 /nfs/dbraw/zinc/36/22/78/590362278.db2.gz HDWGXMGAGILXEN-LLVKDONJSA-N 0 3 234.299 1.150 20 10 BDCDHN Cc1cccc(O)c1CN1CC(O)(C(C)C)C1 ZINC000877580616 590364497 /nfs/dbraw/zinc/36/44/97/590364497.db2.gz VCTAZOUEZUCNRI-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c([O-])c1 ZINC000877593593 590369159 /nfs/dbraw/zinc/36/91/59/590369159.db2.gz WSDYSEMIXODHQD-BJHJDKERSA-N 0 3 221.300 1.704 20 10 BDCDHN CC(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877594988 590370411 /nfs/dbraw/zinc/37/04/11/590370411.db2.gz PADZZHIBWSENRI-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN CC(=O)N[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877594988 590370413 /nfs/dbraw/zinc/37/04/13/590370413.db2.gz PADZZHIBWSENRI-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c([O-])c1 ZINC000877700288 590394025 /nfs/dbraw/zinc/39/40/25/590394025.db2.gz LPLDVWHACSPAPK-RYUDHWBXSA-N 0 3 221.300 1.704 20 10 BDCDHN CC(C)(O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000877835040 590431908 /nfs/dbraw/zinc/43/19/08/590431908.db2.gz FHHUNVWOMGOQMI-GFCCVEGCSA-N 0 3 235.327 1.985 20 10 BDCDHN CC(C)(O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000877835040 590431912 /nfs/dbraw/zinc/43/19/12/590431912.db2.gz FHHUNVWOMGOQMI-GFCCVEGCSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]([NH2+]CC[C@H]1CCNC1=O)c1ccccc1[O-] ZINC000879649584 590841680 /nfs/dbraw/zinc/84/16/80/590841680.db2.gz WQGJEXYYLWNLPU-MNOVXSKESA-N 0 3 248.326 1.569 20 10 BDCDHN C[C@@H]([NH2+]CC[C@@H]1CCNC1=O)c1ccccc1[O-] ZINC000879649582 590842215 /nfs/dbraw/zinc/84/22/15/590842215.db2.gz WQGJEXYYLWNLPU-GHMZBOCLSA-N 0 3 248.326 1.569 20 10 BDCDHN CC(C)[N@@H+](Cc1ccccc1[O-])C[C@@H](C)O ZINC000128552531 591119678 /nfs/dbraw/zinc/11/96/78/591119678.db2.gz BBALSPDLIZQGGQ-LLVKDONJSA-N 0 3 223.316 1.983 20 10 BDCDHN CC(C)[N@H+](Cc1ccccc1[O-])C[C@@H](C)O ZINC000128552531 591119680 /nfs/dbraw/zinc/11/96/80/591119680.db2.gz BBALSPDLIZQGGQ-LLVKDONJSA-N 0 3 223.316 1.983 20 10 BDCDHN C[C@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270876 591176780 /nfs/dbraw/zinc/17/67/80/591176780.db2.gz CZBMCGCGYSTACA-JTQLQIEISA-N 0 3 245.330 1.412 20 10 BDCDHN CC(C)C[C@@H](N)C(=O)NCc1ccccc1O ZINC000130182121 591447224 /nfs/dbraw/zinc/44/72/24/591447224.db2.gz CXMIGFCGNWRZPK-LLVKDONJSA-N 0 3 236.315 1.382 20 10 BDCDHN CC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1C ZINC000130534425 591480509 /nfs/dbraw/zinc/48/05/09/591480509.db2.gz FMYWPQXZHIQXJN-CYBMUJFWSA-N 0 3 249.358 1.415 20 10 BDCDHN CCN(CC[NH3+])Cc1c([O-])cccc1Cl ZINC000300868168 592523443 /nfs/dbraw/zinc/52/34/43/592523443.db2.gz WROYKGCUFJLMLZ-UHFFFAOYSA-N 0 3 228.723 1.826 20 10 BDCDHN CC1(C)C[NH2+]CCN1Cc1cc(F)ccc1[O-] ZINC000220294871 635301636 /nfs/dbraw/zinc/30/16/36/635301636.db2.gz LQLDSLHAXCNNTK-UHFFFAOYSA-N 0 3 238.306 1.715 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(F)ccc1[O-] ZINC000168830504 633151537 /nfs/dbraw/zinc/15/15/37/633151537.db2.gz DSQBONJJNUCYSL-JGVFFNPUSA-N 0 3 240.278 1.446 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H]1CO ZINC000191179446 634205932 /nfs/dbraw/zinc/20/59/32/634205932.db2.gz ZVPANAHJGCLZTH-CMPLNLGQSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H]1CO ZINC000191179446 634205936 /nfs/dbraw/zinc/20/59/36/634205936.db2.gz ZVPANAHJGCLZTH-CMPLNLGQSA-N 0 3 221.300 1.595 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000896897764 636246541 /nfs/dbraw/zinc/24/65/41/636246541.db2.gz VPDHYMCSFXDQON-LLVKDONJSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897844547 636838500 /nfs/dbraw/zinc/83/85/00/636838500.db2.gz RTAOQAGTOJMLMK-IWXRYERYSA-N 0 3 233.311 1.704 20 10 BDCDHN CNC(=O)C[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000323039838 636892705 /nfs/dbraw/zinc/89/27/05/636892705.db2.gz OIXZRNTXKFKLBG-MRVPVSSYSA-N 0 3 240.278 1.146 20 10 BDCDHN CNC(=O)C[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000323039845 636892738 /nfs/dbraw/zinc/89/27/38/636892738.db2.gz OIXZRNTXKFKLBG-QMMMGPOBSA-N 0 3 240.278 1.146 20 10 BDCDHN CC[C@H](C)C[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000911660888 639692367 /nfs/dbraw/zinc/69/23/67/639692367.db2.gz NWISYQBOKOCACX-CABZTGNLSA-N 0 3 235.331 1.971 20 10 BDCDHN CC(C)C[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000163761035 640415958 /nfs/dbraw/zinc/41/59/58/640415958.db2.gz BWECKNDQZSWSDA-LBPRGKRZSA-N 0 3 223.316 1.889 20 10 BDCDHN CCOC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000044688533 640449059 /nfs/dbraw/zinc/44/90/59/640449059.db2.gz PSUPPIUUFISMCG-SNVBAGLBSA-N 0 3 209.289 1.907 20 10 BDCDHN COC[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000083347411 640535056 /nfs/dbraw/zinc/53/50/56/640535056.db2.gz NITISNNUIRCJJV-MRVPVSSYSA-N 0 3 213.252 1.656 20 10 BDCDHN COC[C@@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610309 640777943 /nfs/dbraw/zinc/77/79/43/640777943.db2.gz XYNOWUGMXRZYGU-LLVKDONJSA-N 0 3 243.278 1.018 20 10 BDCDHN COCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000083345877 643436426 /nfs/dbraw/zinc/43/64/26/643436426.db2.gz NBBSVGRSBOUHNQ-UHFFFAOYSA-N 0 3 209.289 1.827 20 10 BDCDHN Cc1ccc(C[NH2+]C2CCN(C)CC2)c([O-])c1 ZINC000083361139 643440380 /nfs/dbraw/zinc/44/03/80/643440380.db2.gz WEWXYARUQAVRLR-UHFFFAOYSA-N 0 3 234.343 1.884 20 10 BDCDHN COc1ccc(O)c([C@@H](C)NCc2c[nH]cn2)c1 ZINC000088750720 644529101 /nfs/dbraw/zinc/52/91/01/644529101.db2.gz ZNLVMEQMXSTJDY-SECBINFHSA-N 0 3 247.298 1.975 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccccc1[O-] ZINC000817984034 644995084 /nfs/dbraw/zinc/99/50/84/644995084.db2.gz VCIKIOFLHGPVRD-QWRGUYRKSA-N 0 3 236.315 1.031 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)CCF ZINC000846098152 645405567 /nfs/dbraw/zinc/40/55/67/645405567.db2.gz ZTMRUMLJKLHFHR-SECBINFHSA-N 0 3 243.278 1.211 20 10 BDCDHN C[NH2+]CCN(C)Cc1cc(F)ccc1[O-] ZINC000220343449 645890459 /nfs/dbraw/zinc/89/04/59/645890459.db2.gz QKYRRGQLSXUSTC-UHFFFAOYSA-N 0 3 212.268 1.183 20 10 BDCDHN CCCN(CC[N+](=O)[O-])Cc1ccccc1O ZINC000929753905 646285594 /nfs/dbraw/zinc/28/55/94/646285594.db2.gz YELFPEVBKZHRIZ-UHFFFAOYSA-N 0 3 238.287 1.881 20 10 BDCDHN CCN1C[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC000391595237 711138806 /nfs/dbraw/zinc/13/88/06/711138806.db2.gz HINVPNHIUZEKSQ-QWRGUYRKSA-N 0 3 248.326 1.664 20 10 BDCDHN CO[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000706538727 712149302 /nfs/dbraw/zinc/14/93/02/712149302.db2.gz FQHYPFJLISJBTP-XYPYZODXSA-N 0 3 207.273 1.659 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCOC[C@H]1O)CC2 ZINC000706726495 712153236 /nfs/dbraw/zinc/15/32/36/712153236.db2.gz BSQITMFZXUSZIA-NQBHXWOUSA-N 0 3 249.310 1.119 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(F)ccc1[O-] ZINC000707593338 712175181 /nfs/dbraw/zinc/17/51/81/712175181.db2.gz HROIXPWZKAUWDK-KKZNHRDASA-N 0 3 239.290 1.953 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC1=CCOCC1 ZINC000824597605 712354805 /nfs/dbraw/zinc/35/48/05/712354805.db2.gz VNPVFFDOCPFBJH-UHFFFAOYSA-N 0 3 249.310 1.837 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1CCN1C)c1ccccc1[O-] ZINC000712537141 712442817 /nfs/dbraw/zinc/44/28/17/712442817.db2.gz AMQNDKUIEYUIMF-WDEREUQCSA-N 0 3 220.316 1.747 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCC[C@H](C)O ZINC000877484823 712631212 /nfs/dbraw/zinc/63/12/12/712631212.db2.gz PCCRGPNVXWSGCK-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN COc1ccc(CNC/C=C\CO)cc1C ZINC000717532254 712660464 /nfs/dbraw/zinc/66/04/64/712660464.db2.gz MQQVYFNYTPDXIK-ARJAWSKDSA-N 0 3 221.300 1.642 20 10 BDCDHN CC[C@@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801172 712758822 /nfs/dbraw/zinc/75/88/22/712758822.db2.gz MRCBIXLYLNTNBP-CYBMUJFWSA-N 0 3 249.358 1.448 20 10 BDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)N ZINC000037807403 712761675 /nfs/dbraw/zinc/76/16/75/712761675.db2.gz SKTUTFUYNOTGAT-NSHDSACASA-N 0 3 249.358 1.448 20 10 BDCDHN Cc1cncc(CC[NH2+]Cc2ccccc2[O-])n1 ZINC000402803318 970858595 /nfs/dbraw/zinc/85/85/95/970858595.db2.gz YAPKJQHKPXJXFR-UHFFFAOYSA-N 0 3 243.310 1.823 20 10 BDCDHN CCCNC(=O)C[C@@H]([NH3+])c1ccccc1[O-] ZINC001220234919 972190288 /nfs/dbraw/zinc/19/02/88/972190288.db2.gz VLBBENAIHIYZPL-SNVBAGLBSA-N 0 3 222.288 1.308 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC000300046199 960853006 /nfs/dbraw/zinc/85/30/06/960853006.db2.gz RIKPUSXMHFOPLM-GFCCVEGCSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@@H](OC)C2)c([O-])c1 ZINC000300046199 960853017 /nfs/dbraw/zinc/85/30/17/960853017.db2.gz RIKPUSXMHFOPLM-GFCCVEGCSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc(N)c1N[C@H]1CN2CCC1CC2 ZINC001163393977 965393866 /nfs/dbraw/zinc/39/38/66/965393866.db2.gz ATZNVBBDOOYVHJ-LBPRGKRZSA-N 0 3 247.342 1.784 20 10 BDCDHN C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1CO ZINC001203549902 966671172 /nfs/dbraw/zinc/67/11/72/966671172.db2.gz BWQMQDVNVRMICU-YPMHNXCESA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1CO ZINC001203549902 966671186 /nfs/dbraw/zinc/67/11/86/966671186.db2.gz BWQMQDVNVRMICU-YPMHNXCESA-N 0 3 235.327 1.985 20 10 BDCDHN OC[C@H]1C[C@@H](F)CN(Cc2ccccc2O)C1 ZINC001203550539 966678559 /nfs/dbraw/zinc/67/85/59/966678559.db2.gz YOYRMYQIVYDFJG-CMPLNLGQSA-N 0 3 239.290 1.545 20 10 BDCDHN C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccccc1[O-] ZINC001203550279 966680568 /nfs/dbraw/zinc/68/05/68/966680568.db2.gz PPZDGZRPUKWMJF-JQWIXIFHSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccccc1[O-] ZINC001203550279 966680577 /nfs/dbraw/zinc/68/05/77/966680577.db2.gz PPZDGZRPUKWMJF-JQWIXIFHSA-N 0 3 221.300 1.737 20 10 BDCDHN COc1ccc(C[N@@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001203621759 966710404 /nfs/dbraw/zinc/71/04/04/966710404.db2.gz IWXHFWIRAXHLBT-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1ccc(C[N@H+]2CCC3(COC3)C2)c([O-])c1 ZINC001203621759 966710411 /nfs/dbraw/zinc/71/04/11/966710411.db2.gz IWXHFWIRAXHLBT-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001203621501 966710796 /nfs/dbraw/zinc/71/07/96/966710796.db2.gz WLAGSEOAEPAUBE-KOLCDFICSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001203621501 966710800 /nfs/dbraw/zinc/71/08/00/966710800.db2.gz WLAGSEOAEPAUBE-KOLCDFICSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc(O)c(CN2CCN3CC[C@@H]3C2)c1 ZINC001203683705 966735426 /nfs/dbraw/zinc/73/54/26/966735426.db2.gz AXGHUWPASWRGPL-GFCCVEGCSA-N 0 3 248.326 1.291 20 10 BDCDHN CN(Cc1ccc(O)c(O)c1)[C@H]1CCCOC1 ZINC001203883353 966808461 /nfs/dbraw/zinc/80/84/61/966808461.db2.gz ITAZVBBHQJMKIB-NSHDSACASA-N 0 3 237.299 1.709 20 10 BDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])CC1CC1 ZINC001204272038 966951363 /nfs/dbraw/zinc/95/13/63/966951363.db2.gz IFMMDBIKTSBJNT-UHFFFAOYSA-N 0 3 207.273 1.940 20 10 BDCDHN C[N@H+](Cc1ccc(O)cc1[O-])CC1CC1 ZINC001204272038 966951372 /nfs/dbraw/zinc/95/13/72/966951372.db2.gz IFMMDBIKTSBJNT-UHFFFAOYSA-N 0 3 207.273 1.940 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204276108 966955987 /nfs/dbraw/zinc/95/59/87/966955987.db2.gz GZEVJTWVKAFJHS-KCJUWKMLSA-N 0 3 223.272 1.053 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204276108 966955992 /nfs/dbraw/zinc/95/59/92/966955992.db2.gz GZEVJTWVKAFJHS-KCJUWKMLSA-N 0 3 223.272 1.053 20 10 BDCDHN C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277331 966961119 /nfs/dbraw/zinc/96/11/19/966961119.db2.gz ZSASARATOQUTLF-ONGXEEELSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277331 966961122 /nfs/dbraw/zinc/96/11/22/966961122.db2.gz ZSASARATOQUTLF-ONGXEEELSA-N 0 3 237.299 1.301 20 10 BDCDHN OCC1CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327485 966970935 /nfs/dbraw/zinc/97/09/35/966970935.db2.gz VOBAINAJURBKKN-UHFFFAOYSA-N 0 3 246.354 1.711 20 10 BDCDHN CCc1ccc(CN2C[C@@H](F)[C@@H](N)C2)c(O)c1 ZINC001204836900 967190824 /nfs/dbraw/zinc/19/08/24/967190824.db2.gz LEXWUYGYTNRTRC-NEPJUHHUSA-N 0 3 238.306 1.436 20 10 BDCDHN CCC[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252789115 968964961 /nfs/dbraw/zinc/96/49/61/968964961.db2.gz MSCAFUWUCUFEQF-LBPRGKRZSA-N 0 3 235.327 1.911 20 10 BDCDHN CCC[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252789115 968964968 /nfs/dbraw/zinc/96/49/68/968964968.db2.gz MSCAFUWUCUFEQF-LBPRGKRZSA-N 0 3 235.327 1.911 20 10 BDCDHN Cn1cncc1NCc1ccc(O)c(O)c1 ZINC001169992625 969959742 /nfs/dbraw/zinc/95/97/42/969959742.db2.gz IASDMTZRKCXXMB-UHFFFAOYSA-N 0 3 219.244 1.443 20 10 BDCDHN Nc1ccc(CN[C@H]2CNCCC2(F)F)cc1 ZINC001334775303 976643482 /nfs/dbraw/zinc/64/34/82/976643482.db2.gz VMJVMMOROOCHNP-NSHDSACASA-N 0 3 241.285 1.356 20 10 BDCDHN Cc1cnccc1Nc1cccc(N)c1O ZINC001174538348 976824444 /nfs/dbraw/zinc/82/44/44/976824444.db2.gz GWLHUWMBAIHQCU-UHFFFAOYSA-N 0 3 215.256 1.843 20 10 BDCDHN CC(C)[C@H]([NH3+])C(=O)NCc1c([O-])cccc1F ZINC001341012445 979195652 /nfs/dbraw/zinc/19/56/52/979195652.db2.gz YNYMKPZATNJUFP-NSHDSACASA-N 0 3 240.278 1.131 20 10 BDCDHN C[NH2+]CCCC(=O)NCc1c([O-])cccc1F ZINC001341125874 979243738 /nfs/dbraw/zinc/24/37/38/979243738.db2.gz YCDACCNHCNPTQS-UHFFFAOYSA-N 0 3 240.278 1.147 20 10 BDCDHN [NH3+][C@]12C[C@H]1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001236024463 979320562 /nfs/dbraw/zinc/32/05/62/979320562.db2.gz IWSLAYOOLHRBSU-CABZTGNLSA-N 0 3 238.718 1.579 20 10 BDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001236784629 979729221 /nfs/dbraw/zinc/72/92/21/979729221.db2.gz XKESXMKPHQIGTB-GFCCVEGCSA-N 0 3 221.300 1.521 20 10 BDCDHN CCc1ccc(C[N@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001236784629 979729227 /nfs/dbraw/zinc/72/92/27/979729227.db2.gz XKESXMKPHQIGTB-GFCCVEGCSA-N 0 3 221.300 1.521 20 10 BDCDHN CCc1ccc(CN2CC3(COC3)C2)c(O)c1 ZINC001236784605 979730508 /nfs/dbraw/zinc/73/05/08/979730508.db2.gz XHSOZDMLFLCJFP-UHFFFAOYSA-N 0 3 233.311 1.787 20 10 BDCDHN C[C@H](N)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001236904874 979791871 /nfs/dbraw/zinc/79/18/71/979791871.db2.gz SYDSOYYDEMZFHR-ZETCQYMHSA-N 0 3 230.258 1.449 20 10 BDCDHN C[C@H](N)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001236904874 979791879 /nfs/dbraw/zinc/79/18/79/979791879.db2.gz SYDSOYYDEMZFHR-ZETCQYMHSA-N 0 3 230.258 1.449 20 10 BDCDHN C[C@]1(CO)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874527 982553684 /nfs/dbraw/zinc/55/36/84/982553684.db2.gz ADFHCLCCQQTOBB-ZDUSSCGKSA-N 0 3 237.299 1.302 20 10 BDCDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1CCOC1)CC2 ZINC001202512933 983838582 /nfs/dbraw/zinc/83/85/82/983838582.db2.gz LOBXRAVYOXCLDB-NSHDSACASA-N 0 3 233.311 1.787 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1CCOC1)CC2 ZINC001202512933 983838583 /nfs/dbraw/zinc/83/85/83/983838583.db2.gz LOBXRAVYOXCLDB-NSHDSACASA-N 0 3 233.311 1.787 20 10 BDCDHN C[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000688046041 985524064 /nfs/dbraw/zinc/52/40/64/985524064.db2.gz GWKYORWWPOBGNY-MWLCHTKSSA-N 0 3 207.273 1.517 20 10 BDCDHN Cc1ccc(O)c(CN2CCCC[C@@H]2C(N)=O)c1 ZINC000162084874 990948049 /nfs/dbraw/zinc/94/80/49/990948049.db2.gz RVHCLRGPQLPCAZ-GFCCVEGCSA-N 0 3 248.326 1.540 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H](O)C2)cc1C ZINC000298575201 178195564 /nfs/dbraw/zinc/19/55/64/178195564.db2.gz BIZGSSQISWBELX-CYBMUJFWSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H](O)C2)cc1C ZINC000298575201 178195565 /nfs/dbraw/zinc/19/55/65/178195565.db2.gz BIZGSSQISWBELX-CYBMUJFWSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)cc1C ZINC000092763683 178195668 /nfs/dbraw/zinc/19/56/68/178195668.db2.gz HJMOCFLFBFEXLT-GFCCVEGCSA-N 0 3 235.327 1.823 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](CO)C2)cc1C ZINC000092763683 178195671 /nfs/dbraw/zinc/19/56/71/178195671.db2.gz HJMOCFLFBFEXLT-GFCCVEGCSA-N 0 3 235.327 1.823 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H](O)C2CC2)cc1C ZINC000266219716 178197755 /nfs/dbraw/zinc/19/77/55/178197755.db2.gz RAFWXPXSAIFYQC-CQSZACIVSA-N 0 3 235.327 1.870 20 10 BDCDHN CO[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000133140002 398310458 /nfs/dbraw/zinc/31/04/58/398310458.db2.gz UDNXNDAMHZTKIO-UWVGGRQHSA-N 0 3 209.289 1.905 20 10 BDCDHN C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1[O-] ZINC000037154847 343336830 /nfs/dbraw/zinc/33/68/30/343336830.db2.gz YRWXLBVHCCMDJV-LLVKDONJSA-N 0 3 231.299 1.767 20 10 BDCDHN CC(C)[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825816 187264020 /nfs/dbraw/zinc/26/40/20/187264020.db2.gz WZZBIVWNRLYLBZ-ZDUSSCGKSA-N 0 3 249.358 1.352 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)N(C)C)c1 ZINC000070955272 187275352 /nfs/dbraw/zinc/27/53/52/187275352.db2.gz LGBBPDOMHHELPT-NSHDSACASA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]CCO)c([O-])c1C ZINC000134911040 178839669 /nfs/dbraw/zinc/83/96/69/178839669.db2.gz KUYMPOPFDIGABL-SNVBAGLBSA-N 0 3 209.289 1.652 20 10 BDCDHN Cc1cccc(C[NH+]2CCC(CO)CC2)c1[O-] ZINC000271835010 179073718 /nfs/dbraw/zinc/07/37/18/179073718.db2.gz RTCVBTZZLLIAPQ-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H](N(C)C)C2)c1[O-] ZINC000160235485 179082907 /nfs/dbraw/zinc/08/29/07/179082907.db2.gz WLDCADRONSLBQZ-ZDUSSCGKSA-N 0 3 234.343 1.837 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H](N(C)C)C2)c1[O-] ZINC000160235485 179082908 /nfs/dbraw/zinc/08/29/08/179082908.db2.gz WLDCADRONSLBQZ-ZDUSSCGKSA-N 0 3 234.343 1.837 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1[O-] ZINC000280452562 179084281 /nfs/dbraw/zinc/08/42/81/179084281.db2.gz LJJSUQYJCXZHGC-GFCCVEGCSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1[O-] ZINC000280452562 179084284 /nfs/dbraw/zinc/08/42/84/179084284.db2.gz LJJSUQYJCXZHGC-GFCCVEGCSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1[O-] ZINC000224569555 179092155 /nfs/dbraw/zinc/09/21/55/179092155.db2.gz SEGHZEJGPAPJNX-ZDUSSCGKSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2CCCOC2)c1[O-] ZINC000162860085 179098660 /nfs/dbraw/zinc/09/86/60/179098660.db2.gz NLFRHSVIMZCJIZ-GFCCVEGCSA-N 0 3 221.300 1.969 20 10 BDCDHN CC[C@@H](O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226616543 350442614 /nfs/dbraw/zinc/44/26/14/350442614.db2.gz SDLVTNZXHNJKAD-LLVKDONJSA-N 0 3 227.279 1.782 20 10 BDCDHN CCN(Cc1cccc(C)c1O)[C@@H]1CCNC1=O ZINC000281785889 351910439 /nfs/dbraw/zinc/91/04/39/351910439.db2.gz NOHVFFSXBWNYPE-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN CC[N@H+](Cc1cccc(OC)c1[O-])[C@@H](C)CO ZINC000293621725 353758356 /nfs/dbraw/zinc/75/83/56/353758356.db2.gz KVNIHMUVAAKQAL-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])[C@@H](C)CO ZINC000293621725 353758360 /nfs/dbraw/zinc/75/83/60/353758360.db2.gz KVNIHMUVAAKQAL-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CNC(=O)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297326840 364788484 /nfs/dbraw/zinc/78/84/84/364788484.db2.gz NRWYJKSUEHFPML-WPRPVWTQSA-N 0 3 234.299 1.104 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](O)C1 ZINC000179935539 183275603 /nfs/dbraw/zinc/27/56/03/183275603.db2.gz XZLVKRIVURVDPU-JTQLQIEISA-N 0 3 211.236 1.098 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](O)C1 ZINC000179935539 183275608 /nfs/dbraw/zinc/27/56/08/183275608.db2.gz XZLVKRIVURVDPU-JTQLQIEISA-N 0 3 211.236 1.098 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375289621 183301428 /nfs/dbraw/zinc/30/14/28/183301428.db2.gz XEWGMMQNRVEDAC-GFCCVEGCSA-N 0 3 219.284 1.349 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375289621 183301429 /nfs/dbraw/zinc/30/14/29/183301429.db2.gz XEWGMMQNRVEDAC-GFCCVEGCSA-N 0 3 219.284 1.349 20 10 BDCDHN CCCN[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000294882804 169274626 /nfs/dbraw/zinc/27/46/26/169274626.db2.gz XPTICJHWPMVMCR-VIFPVBQESA-N 0 3 221.304 1.595 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)CCCO)c1 ZINC000087358808 383827327 /nfs/dbraw/zinc/82/73/27/383827327.db2.gz UPHVBBLCZFWPJF-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000036977393 383924263 /nfs/dbraw/zinc/92/42/63/383924263.db2.gz OQROCBIXQYSZNS-CMPLNLGQSA-N 0 3 248.326 1.712 20 10 BDCDHN CCOCCNCc1ccc2c(c1)CCO2 ZINC000037363106 383974110 /nfs/dbraw/zinc/97/41/10/383974110.db2.gz OVJALQJDPBQTTJ-UHFFFAOYSA-N 0 3 221.300 1.748 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)CO)c1 ZINC000078638544 384075005 /nfs/dbraw/zinc/07/50/05/384075005.db2.gz QRLDDCYCCLVGLD-JTQLQIEISA-N 0 3 209.289 1.419 20 10 BDCDHN Cc1ccc(O)c(CNCc2ccnn2C)c1 ZINC000071409419 384164999 /nfs/dbraw/zinc/16/49/99/384164999.db2.gz KQSHKWBRYMXZGE-UHFFFAOYSA-N 0 3 231.299 1.724 20 10 BDCDHN Cc1ccc(O)c(CN[C@H]2CCCNC2=O)c1 ZINC000071408989 384165161 /nfs/dbraw/zinc/16/51/61/384165161.db2.gz MCBZDELLGMWFMZ-NSHDSACASA-N 0 3 234.299 1.069 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCNC2=O)c1 ZINC000071408989 384165167 /nfs/dbraw/zinc/16/51/67/384165167.db2.gz MCBZDELLGMWFMZ-NSHDSACASA-N 0 3 234.299 1.069 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC000132771214 384251175 /nfs/dbraw/zinc/25/11/75/384251175.db2.gz ZTWMJDWDIWXQLL-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)[C@H]2CCOC2)c1 ZINC000132771214 384251178 /nfs/dbraw/zinc/25/11/78/384251178.db2.gz ZTWMJDWDIWXQLL-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000035629069 384417004 /nfs/dbraw/zinc/41/70/04/384417004.db2.gz WFPWAOXCHZCBEI-NXEZZACHSA-N 0 3 209.289 1.732 20 10 BDCDHN Cn1cncc1C[NH2+]Cc1ccccc1[O-] ZINC000122238963 384465077 /nfs/dbraw/zinc/46/50/77/384465077.db2.gz GRBDPJDWPPXYEQ-UHFFFAOYSA-N 0 3 217.272 1.416 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000111235622 384582016 /nfs/dbraw/zinc/58/20/16/384582016.db2.gz FQXUJVDNVKZTOZ-NSHDSACASA-N 0 3 221.300 1.861 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCOC1 ZINC000111235622 384582026 /nfs/dbraw/zinc/58/20/26/384582026.db2.gz FQXUJVDNVKZTOZ-NSHDSACASA-N 0 3 221.300 1.861 20 10 BDCDHN CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000050394199 384621097 /nfs/dbraw/zinc/62/10/97/384621097.db2.gz QGFJNIYGQRQOOX-RYUDHWBXSA-N 0 3 248.326 1.712 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000020195049 384591912 /nfs/dbraw/zinc/59/19/12/384591912.db2.gz VCRWLFYNVIOENQ-JTQLQIEISA-N 0 3 225.288 1.261 20 10 BDCDHN CC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000128446000 385038095 /nfs/dbraw/zinc/03/80/95/385038095.db2.gz NIHQGOKRKFNXTA-NSHDSACASA-N 0 3 209.289 1.595 20 10 BDCDHN CC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000128446000 385038099 /nfs/dbraw/zinc/03/80/99/385038099.db2.gz NIHQGOKRKFNXTA-NSHDSACASA-N 0 3 209.289 1.595 20 10 BDCDHN CCOc1cccc(C[NH2+]C[C@H](C)OC)c1[O-] ZINC000191206120 385292098 /nfs/dbraw/zinc/29/20/98/385292098.db2.gz GTPQMNBOROJKHG-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1[O-] ZINC000179889283 385381403 /nfs/dbraw/zinc/38/14/03/385381403.db2.gz NPESWIYDZAPIFJ-SNVBAGLBSA-N 0 3 248.326 1.569 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193692272 385409584 /nfs/dbraw/zinc/40/95/84/385409584.db2.gz UIIMQPUZGSFFKD-GWCFXTLKSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193692272 385409587 /nfs/dbraw/zinc/40/95/87/385409587.db2.gz UIIMQPUZGSFFKD-GWCFXTLKSA-N 0 3 248.326 1.315 20 10 BDCDHN C[C@H](C[S@@](C)=O)N(C)Cc1ccccc1O ZINC000185225798 385724645 /nfs/dbraw/zinc/72/46/45/385724645.db2.gz ZTYJFTVAIDKKCO-QLJPJBMISA-N 0 3 241.356 1.591 20 10 BDCDHN C[C@H]1NCCN(C(=O)Cc2ccc(N)cc2)[C@H]1C ZINC000262804361 385886845 /nfs/dbraw/zinc/88/68/45/385886845.db2.gz PVBNRNAVUQPWHH-MNOVXSKESA-N 0 3 247.342 1.020 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@H]1O ZINC000272038312 385870524 /nfs/dbraw/zinc/87/05/24/385870524.db2.gz ZRIADYVQSWNTBG-WCQYABFASA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@H]1O ZINC000272038312 385870535 /nfs/dbraw/zinc/87/05/35/385870535.db2.gz ZRIADYVQSWNTBG-WCQYABFASA-N 0 3 235.327 1.903 20 10 BDCDHN C[N@H+](CCCCO)Cc1ccccc1[O-] ZINC000264620677 386253938 /nfs/dbraw/zinc/25/39/38/386253938.db2.gz QZGWIBKFDAHXHR-UHFFFAOYSA-N 0 3 209.289 1.597 20 10 BDCDHN C[N@@H+](CCCCO)Cc1ccccc1[O-] ZINC000264620677 386253946 /nfs/dbraw/zinc/25/39/46/386253946.db2.gz QZGWIBKFDAHXHR-UHFFFAOYSA-N 0 3 209.289 1.597 20 10 BDCDHN C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611394 386343432 /nfs/dbraw/zinc/34/34/32/386343432.db2.gz SEQZRDZYCLQGEL-DTWKUNHWSA-N 0 3 227.279 1.638 20 10 BDCDHN CN1CCC(C(=O)NCc2ccccc2O)CC1 ZINC000269173651 386758214 /nfs/dbraw/zinc/75/82/14/386758214.db2.gz ZWDRJBSASUDILY-UHFFFAOYSA-N 0 3 248.326 1.350 20 10 BDCDHN CO[C@@H](C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000292884432 387248079 /nfs/dbraw/zinc/24/80/79/387248079.db2.gz CHPLSSKSPCZIBL-ZDUSSCGKSA-N 0 3 221.300 1.907 20 10 BDCDHN C[C@@H]([NH2+]CC1COC1)c1cc(F)ccc1[O-] ZINC000528026823 387832166 /nfs/dbraw/zinc/83/21/66/387832166.db2.gz QVAMWKHCYDMSHF-MRVPVSSYSA-N 0 3 225.263 1.828 20 10 BDCDHN C[C@@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N(C)C ZINC000297659971 388430486 /nfs/dbraw/zinc/43/04/86/388430486.db2.gz KNFDAHVBAAOXCB-JQWIXIFHSA-N 0 3 234.343 1.919 20 10 BDCDHN C[C@@H](O)CCC[NH2+]Cc1ccccc1[O-] ZINC000227959705 388762442 /nfs/dbraw/zinc/76/24/42/388762442.db2.gz NPCVAJAHXXVEAQ-SNVBAGLBSA-N 0 3 209.289 1.643 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000259468672 135142818 /nfs/dbraw/zinc/14/28/18/135142818.db2.gz WNLKYSGLGFBSLT-GDNZZTSVSA-N 0 3 219.284 1.062 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000259468672 135142819 /nfs/dbraw/zinc/14/28/19/135142819.db2.gz WNLKYSGLGFBSLT-GDNZZTSVSA-N 0 3 219.284 1.062 20 10 BDCDHN CC(C)NC(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295877321 167061596 /nfs/dbraw/zinc/06/15/96/167061596.db2.gz HKERMEBCLLAXRG-NSHDSACASA-N 0 3 248.326 1.494 20 10 BDCDHN CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295778208 170089394 /nfs/dbraw/zinc/08/93/94/170089394.db2.gz ARVMKWNVMYQGMP-MWLCHTKSSA-N 0 3 248.326 1.494 20 10 BDCDHN CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036795289 170096284 /nfs/dbraw/zinc/09/62/84/170096284.db2.gz XTLQJXHIAIUBPV-ZJUUUORDSA-N 0 3 236.315 1.567 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000272355104 171087811 /nfs/dbraw/zinc/08/78/11/171087811.db2.gz DQWGERXUKJTDKS-NOZJJQNGSA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000272355104 171087812 /nfs/dbraw/zinc/08/78/12/171087812.db2.gz DQWGERXUKJTDKS-NOZJJQNGSA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccccc1O ZINC000083363571 171395501 /nfs/dbraw/zinc/39/55/01/171395501.db2.gz BOTTZFHPZVBDQA-CABZTGNLSA-N 0 3 236.315 1.382 20 10 BDCDHN CNC(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000272834238 173243415 /nfs/dbraw/zinc/24/34/15/173243415.db2.gz IPEZIIMXUHMJNN-SNVBAGLBSA-N 0 3 236.315 1.569 20 10 BDCDHN CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000133594092 173299147 /nfs/dbraw/zinc/29/91/47/173299147.db2.gz ZLBSFRZYZLEGIK-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN CNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000133594092 173299148 /nfs/dbraw/zinc/29/91/48/173299148.db2.gz ZLBSFRZYZLEGIK-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN COCC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000082367509 174384753 /nfs/dbraw/zinc/38/47/53/174384753.db2.gz PHQORNODTINBNX-SNVBAGLBSA-N 0 3 209.289 1.907 20 10 BDCDHN COCC[C@@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000281541117 174390333 /nfs/dbraw/zinc/39/03/33/174390333.db2.gz IQXSFCLNWLHEFE-MNOVXSKESA-N 0 3 239.315 1.440 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000179665511 175157603 /nfs/dbraw/zinc/15/76/03/175157603.db2.gz OXUWXHSZPZDCII-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000179665511 175157604 /nfs/dbraw/zinc/15/76/04/175157604.db2.gz OXUWXHSZPZDCII-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCCOC2)c1 ZINC000103960265 175158580 /nfs/dbraw/zinc/15/85/80/175158580.db2.gz MKXYBDJHMZQYRY-NSHDSACASA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)OC)c1 ZINC000191204783 175158777 /nfs/dbraw/zinc/15/87/77/175158777.db2.gz GUQZTYYIHCMZGT-SECBINFHSA-N 0 3 225.288 1.525 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC(C)(C)O)c1 ZINC000087010659 175160151 /nfs/dbraw/zinc/16/01/51/175160151.db2.gz YEPNRIIUGFSTMT-VIFPVBQESA-N 0 3 239.315 1.822 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CCO)c1 ZINC000132435488 175160685 /nfs/dbraw/zinc/16/06/85/175160685.db2.gz KVZYOEUWXVLTME-NXEZZACHSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc(CNCc2cn[nH]c2)c1O ZINC000038005803 175265586 /nfs/dbraw/zinc/26/55/86/175265586.db2.gz FIKKFLCZHDOLSX-UHFFFAOYSA-N 0 3 233.271 1.414 20 10 BDCDHN CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000164279012 175565625 /nfs/dbraw/zinc/56/56/25/175565625.db2.gz NPWYYJMMHGATNN-BXKDBHETSA-N 0 3 241.356 1.594 20 10 BDCDHN C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111363 175757262 /nfs/dbraw/zinc/75/72/62/175757262.db2.gz KYKZMGFKYQAOSP-YUMQZZPRSA-N 0 3 213.252 1.563 20 10 BDCDHN C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000193687278 176184397 /nfs/dbraw/zinc/18/43/97/176184397.db2.gz BUNGSUKQRXSLDE-BXKDBHETSA-N 0 3 234.299 1.006 20 10 BDCDHN C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000277915001 176341790 /nfs/dbraw/zinc/34/17/90/176341790.db2.gz PQNYJUPRZUSKRM-PWSUYJOCSA-N 0 3 221.300 1.907 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H](C)N1C ZINC000141909518 177266186 /nfs/dbraw/zinc/26/61/86/177266186.db2.gz JBUKOHRSIQKNEB-TXEJJXNPSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H](C)N1C ZINC000141909518 177266188 /nfs/dbraw/zinc/26/61/88/177266188.db2.gz JBUKOHRSIQKNEB-TXEJJXNPSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@H]1C[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134228134 177381807 /nfs/dbraw/zinc/38/18/07/177381807.db2.gz YRVMBJJOFHNVQQ-IUCAKERBSA-N 0 3 235.283 1.867 20 10 BDCDHN Cc1cccc(C[NH2+]CC23CC(C2)CO3)c1[O-] ZINC000529662401 324372579 /nfs/dbraw/zinc/37/25/79/324372579.db2.gz JVIXMCJOYHPGNU-UHFFFAOYSA-N 0 3 233.311 1.969 20 10 BDCDHN COc1cccc([O-])c1CNCC12CC(C1)C[NH2+]2 ZINC000853245782 588728332 /nfs/dbraw/zinc/72/83/32/588728332.db2.gz CSJOFHIXXLOSLD-UHFFFAOYSA-N 0 3 248.326 1.242 20 10 BDCDHN CCC[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC000112377513 588796358 /nfs/dbraw/zinc/79/63/58/588796358.db2.gz VACOVZHJTMNAQL-ZDUSSCGKSA-N 0 3 235.327 1.872 20 10 BDCDHN Cc1cccc(C[NH2+][C@H](C)CCO)c1[O-] ZINC000133551425 582743106 /nfs/dbraw/zinc/74/31/06/582743106.db2.gz HJNDEJBLOWGZMT-SNVBAGLBSA-N 0 3 209.289 1.561 20 10 BDCDHN CNC[C@@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000854231721 583083054 /nfs/dbraw/zinc/08/30/54/583083054.db2.gz KSAWDYFCXHIHRK-SFYZADRCSA-N 0 3 244.285 1.929 20 10 BDCDHN C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000840979159 583214642 /nfs/dbraw/zinc/21/46/42/583214642.db2.gz RXQNGRDCNFIACW-AAEUAGOBSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000840979159 583214645 /nfs/dbraw/zinc/21/46/45/583214645.db2.gz RXQNGRDCNFIACW-AAEUAGOBSA-N 0 3 235.327 1.985 20 10 BDCDHN COc1cc(C)cc(C[NH2+]CCCO)c1[O-] ZINC000894145684 583318092 /nfs/dbraw/zinc/31/80/92/583318092.db2.gz GZOQYKCNKPILQF-UHFFFAOYSA-N 0 3 225.288 1.181 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000814172970 583342894 /nfs/dbraw/zinc/34/28/94/583342894.db2.gz DSNRVZHRZRPGMR-TZMCWYRMSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000814172970 583342896 /nfs/dbraw/zinc/34/28/96/583342896.db2.gz DSNRVZHRZRPGMR-TZMCWYRMSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2COCO2)cc1C ZINC000894871978 583540247 /nfs/dbraw/zinc/54/02/47/583540247.db2.gz HOIIHCOPCXCVDQ-LBPRGKRZSA-N 0 3 237.299 1.472 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000788269447 583600224 /nfs/dbraw/zinc/60/02/24/583600224.db2.gz NRVMJFHJCGSIIE-GXSJLCMTSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000788269447 583600226 /nfs/dbraw/zinc/60/02/26/583600226.db2.gz NRVMJFHJCGSIIE-GXSJLCMTSA-N 0 3 237.299 1.356 20 10 BDCDHN CCOc1ccc(CN(C)C[C@H](C)[NH3+])c([O-])c1 ZINC000863650775 583994731 /nfs/dbraw/zinc/99/47/31/583994731.db2.gz AAJINOMYKIDOOM-JTQLQIEISA-N 0 3 238.331 1.570 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897680527 584038357 /nfs/dbraw/zinc/03/83/57/584038357.db2.gz SGAMOMRIGLTCBV-GWCFXTLKSA-N 0 3 235.327 1.767 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897680527 584038358 /nfs/dbraw/zinc/03/83/58/584038358.db2.gz SGAMOMRIGLTCBV-GWCFXTLKSA-N 0 3 235.327 1.767 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897681626 584038891 /nfs/dbraw/zinc/03/88/91/584038891.db2.gz XSTYFWGMVUACMM-ZYHUDNBSSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897681626 584038892 /nfs/dbraw/zinc/03/88/92/584038892.db2.gz XSTYFWGMVUACMM-ZYHUDNBSSA-N 0 3 221.300 1.513 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000897684467 584040186 /nfs/dbraw/zinc/04/01/86/584040186.db2.gz PPMTWQJDBJEWHT-SKDRFNHKSA-N 0 3 207.273 1.205 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000897684467 584040188 /nfs/dbraw/zinc/04/01/88/584040188.db2.gz PPMTWQJDBJEWHT-SKDRFNHKSA-N 0 3 207.273 1.205 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000858494053 588960714 /nfs/dbraw/zinc/96/07/14/588960714.db2.gz MAFRFUJZWHDJAO-GUBZILKMSA-N 0 3 234.299 1.307 20 10 BDCDHN OC[C@H]1CCN1Cc1cc2c(cc1O)CCCC2 ZINC000902630400 584647136 /nfs/dbraw/zinc/64/71/36/584647136.db2.gz AUARUIYIWYVZFK-CQSZACIVSA-N 0 3 247.338 1.838 20 10 BDCDHN C[C@@H]1C[NH2+]C[C@H]1NCc1cc(Cl)ccc1[O-] ZINC000903960729 584828079 /nfs/dbraw/zinc/82/80/79/584828079.db2.gz WYMYPIJTSLZZSP-LDYMZIIASA-N 0 3 240.734 1.743 20 10 BDCDHN COc1cccc(C[NH2+][C@@H](CO)C2CC2)c1[O-] ZINC000734164119 584959086 /nfs/dbraw/zinc/95/90/86/584959086.db2.gz KIMCAFZNXIZKCJ-NSHDSACASA-N 0 3 237.299 1.261 20 10 BDCDHN C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc(F)ccc1[O-] ZINC000817959294 584992521 /nfs/dbraw/zinc/99/25/21/584992521.db2.gz FJIHXJJFTGQVFB-PELKAZGASA-N 0 3 238.306 1.919 20 10 BDCDHN CC[C@H]([NH2+][C@@H](C)CN)c1ccccc1[O-] ZINC000817970116 584993314 /nfs/dbraw/zinc/99/33/14/584993314.db2.gz LUGZHJJYHNTOLY-ONGXEEELSA-N 0 3 208.305 1.780 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]CCN2CCC2)cc1C ZINC000752099993 585242327 /nfs/dbraw/zinc/24/23/27/585242327.db2.gz FFUDFKZKDCRJSY-UHFFFAOYSA-N 0 3 234.343 1.804 20 10 BDCDHN COCCN(C)Cc1cc(OC)c(C)cc1O ZINC000768441246 585538360 /nfs/dbraw/zinc/53/83/60/585538360.db2.gz XQEPJLJMTJEKHX-UHFFFAOYSA-N 0 3 239.315 1.787 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)CC[C@H](C)O ZINC000769450856 585557130 /nfs/dbraw/zinc/55/71/30/585557130.db2.gz IDSNAQBHRRIXIT-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)CC[C@H](C)O ZINC000769450856 585557131 /nfs/dbraw/zinc/55/71/31/585557131.db2.gz IDSNAQBHRRIXIT-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(O)c1CN1CCN(C)CC1 ZINC000771926013 585604536 /nfs/dbraw/zinc/60/45/36/585604536.db2.gz FRWPPGCDDCQFSI-UHFFFAOYSA-N 0 3 236.315 1.148 20 10 BDCDHN COC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000775650110 585682533 /nfs/dbraw/zinc/68/25/33/585682533.db2.gz QMLKHIDDJJWNIM-LBPRGKRZSA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000775650110 585682534 /nfs/dbraw/zinc/68/25/34/585682534.db2.gz QMLKHIDDJJWNIM-LBPRGKRZSA-N 0 3 249.310 1.696 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788266907 585920228 /nfs/dbraw/zinc/92/02/28/585920228.db2.gz CXUXWLXMQHACHS-PWSUYJOCSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788266907 585920229 /nfs/dbraw/zinc/92/02/29/585920229.db2.gz CXUXWLXMQHACHS-PWSUYJOCSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1C ZINC000788271151 585920750 /nfs/dbraw/zinc/92/07/50/585920750.db2.gz ZFINUBFKVCKIBR-YPMHNXCESA-N 0 3 235.327 1.964 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2C)cc1C ZINC000788271151 585920751 /nfs/dbraw/zinc/92/07/51/585920751.db2.gz ZFINUBFKVCKIBR-YPMHNXCESA-N 0 3 235.327 1.964 20 10 BDCDHN CC[N@H+](CCOCCO)Cc1ccccc1[O-] ZINC000800532781 586224094 /nfs/dbraw/zinc/22/40/94/586224094.db2.gz WUJPLYDBBLAGNA-UHFFFAOYSA-N 0 3 239.315 1.223 20 10 BDCDHN CC[N@@H+](CCOCCO)Cc1ccccc1[O-] ZINC000800532781 586224097 /nfs/dbraw/zinc/22/40/97/586224097.db2.gz WUJPLYDBBLAGNA-UHFFFAOYSA-N 0 3 239.315 1.223 20 10 BDCDHN CC1(C)[C@H](O)CC[N@@H+]1Cc1ccccc1[O-] ZINC000812778125 586584205 /nfs/dbraw/zinc/58/42/05/586584205.db2.gz CCSQXMAZSCDBIR-GFCCVEGCSA-N 0 3 221.300 1.737 20 10 BDCDHN CC1(C)[C@H](O)CC[N@H+]1Cc1ccccc1[O-] ZINC000812778125 586584206 /nfs/dbraw/zinc/58/42/06/586584206.db2.gz CCSQXMAZSCDBIR-GFCCVEGCSA-N 0 3 221.300 1.737 20 10 BDCDHN Cc1cc(CN2CCN(C)CC2)ccc1N(C)C ZINC000815013954 586664203 /nfs/dbraw/zinc/66/42/03/586664203.db2.gz SPMJWZCECQTSQH-UHFFFAOYSA-N 0 3 247.386 1.808 20 10 BDCDHN C[NH2+]CCCN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817940459 586845469 /nfs/dbraw/zinc/84/54/69/586845469.db2.gz MTAXKBGKAVSHKL-MRVPVSSYSA-N 0 3 244.285 1.931 20 10 BDCDHN C[NH2+]CCN[C@@H](C)c1cc(F)ccc1[O-] ZINC000817952899 586848605 /nfs/dbraw/zinc/84/86/05/586848605.db2.gz WJXKDRLBUOOZIN-QMMMGPOBSA-N 0 3 212.268 1.401 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000822503669 587172220 /nfs/dbraw/zinc/17/22/20/587172220.db2.gz KNBAVLBDDUWWRR-GHMZBOCLSA-N 0 3 207.273 1.314 20 10 BDCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000827812390 587403878 /nfs/dbraw/zinc/40/38/78/587403878.db2.gz LKGXNIVJHNYBAR-UMSPYCQHSA-N 0 3 249.310 1.742 20 10 BDCDHN C[C@@H](CO)C[N@H+](C)Cc1ccccc1[O-] ZINC000121397383 587593537 /nfs/dbraw/zinc/59/35/37/587593537.db2.gz WJBFVMRUTRUOMD-SNVBAGLBSA-N 0 3 209.289 1.452 20 10 BDCDHN C[C@@H](CO)C[N@@H+](C)Cc1ccccc1[O-] ZINC000121397383 587593538 /nfs/dbraw/zinc/59/35/38/587593538.db2.gz WJBFVMRUTRUOMD-SNVBAGLBSA-N 0 3 209.289 1.452 20 10 BDCDHN Nc1ccc(NC(=O)CNCC2CC2)cc1 ZINC000832244423 587652207 /nfs/dbraw/zinc/65/22/07/587652207.db2.gz RNIOVJOWXXSVSL-UHFFFAOYSA-N 0 3 219.288 1.207 20 10 BDCDHN CCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832283916 587653144 /nfs/dbraw/zinc/65/31/44/587653144.db2.gz CZWISKCQRGXHEJ-LBPRGKRZSA-N 0 3 235.331 1.279 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@]2(C)CCC(=O)N2)c1 ZINC000835061643 587779957 /nfs/dbraw/zinc/77/99/57/587779957.db2.gz UGXLYVUTJMHPMM-AWEZNQCLSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1[O-] ZINC000835061145 587780041 /nfs/dbraw/zinc/78/00/41/587780041.db2.gz QGFLAKXMNHZZFQ-CQSZACIVSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1cc(Cl)cc(CN[C@H]2CC[NH2+]C2)c1[O-] ZINC000841044685 587939152 /nfs/dbraw/zinc/93/91/52/587939152.db2.gz GATVGFGPIIUMQX-NSHDSACASA-N 0 3 240.734 1.806 20 10 BDCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)CN)c1[O-] ZINC000841059306 587940838 /nfs/dbraw/zinc/94/08/38/587940838.db2.gz ALTLRGJZBWNQTK-MRVPVSSYSA-N 0 3 228.723 1.791 20 10 BDCDHN CC[NH2+][C@H](C)CNCc1cc(F)ccc1[O-] ZINC000841065757 587942739 /nfs/dbraw/zinc/94/27/39/587942739.db2.gz MQYZKUVCKMSDBE-SECBINFHSA-N 0 3 226.295 1.619 20 10 BDCDHN [NH3+]CC[C@H](NCc1ccccc1[O-])C(F)(F)F ZINC000841091295 587946515 /nfs/dbraw/zinc/94/65/15/587946515.db2.gz XHQDPJKJBBTBLW-JTQLQIEISA-N 0 3 248.248 1.762 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000841890449 587982150 /nfs/dbraw/zinc/98/21/50/587982150.db2.gz AYNJNZTZSPVBPI-GSJFWJNXSA-N 0 3 237.299 1.404 20 10 BDCDHN C[NH2+][C@H]1CCN(Cc2c([O-])cccc2OC)C1 ZINC000843045233 588076196 /nfs/dbraw/zinc/07/61/96/588076196.db2.gz QHEBEENYHXYDPA-JTQLQIEISA-N 0 3 236.315 1.195 20 10 BDCDHN O=[S@]1C[C@@H]2C[C@H]1CN2Cc1ccccc1O ZINC000846103682 588256628 /nfs/dbraw/zinc/25/66/28/588256628.db2.gz UZFILLPVXABESS-MMPTUQATSA-N 0 3 237.324 1.097 20 10 BDCDHN O=[S@@]1C[C@@H]2C[C@H]1CN2Cc1ccccc1O ZINC000846103681 588256648 /nfs/dbraw/zinc/25/66/48/588256648.db2.gz UZFILLPVXABESS-XMZIXOGTSA-N 0 3 237.324 1.097 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)[C@@H](C)CCO)c1 ZINC000846111439 588257385 /nfs/dbraw/zinc/25/73/85/588257385.db2.gz OZYXHNRNKZCPFQ-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CCO)c1 ZINC000846111439 588257386 /nfs/dbraw/zinc/25/73/86/588257386.db2.gz OZYXHNRNKZCPFQ-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846135210 588258544 /nfs/dbraw/zinc/25/85/44/588258544.db2.gz CBSCDJISGIIBOI-ZJUUUORDSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000846175353 588259221 /nfs/dbraw/zinc/25/92/21/588259221.db2.gz YQOWLHAQYUURLD-JMJZKYOTSA-N 0 3 237.299 1.575 20 10 BDCDHN C[C@H]1C[C@@H]([NH3+])CCN1Cc1cccc(F)c1[O-] ZINC000846701862 588283719 /nfs/dbraw/zinc/28/37/19/588283719.db2.gz DUANCMORAXKYFR-ONGXEEELSA-N 0 3 238.306 1.843 20 10 BDCDHN [NH3+]C[C@H](NCc1ccccc1[O-])C(F)(F)F ZINC000848716375 588408093 /nfs/dbraw/zinc/40/80/93/588408093.db2.gz XJVBGLZNTFNKAE-VIFPVBQESA-N 0 3 234.221 1.371 20 10 BDCDHN CCc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1[O-] ZINC000848881550 588415980 /nfs/dbraw/zinc/41/59/80/588415980.db2.gz QTVREAYXXJBDCP-GFCCVEGCSA-N 0 3 221.300 1.521 20 10 BDCDHN CCc1cccc(C[N@H+]2CC[C@@H](O)C2)c1[O-] ZINC000848881550 588415981 /nfs/dbraw/zinc/41/59/81/588415981.db2.gz QTVREAYXXJBDCP-GFCCVEGCSA-N 0 3 221.300 1.521 20 10 BDCDHN CCc1cccc(C[N@@H+]2CC[C@H](CO)C2)c1[O-] ZINC000848886136 588416616 /nfs/dbraw/zinc/41/66/16/588416616.db2.gz TWAVOVCSVUHBQF-NSHDSACASA-N 0 3 235.327 1.769 20 10 BDCDHN CCc1cccc(C[N@H+]2CC[C@H](CO)C2)c1[O-] ZINC000848886136 588416617 /nfs/dbraw/zinc/41/66/17/588416617.db2.gz TWAVOVCSVUHBQF-NSHDSACASA-N 0 3 235.327 1.769 20 10 BDCDHN [NH2+]=C(NCc1ccccc1[O-])NCC1CCC1 ZINC000848985033 588425425 /nfs/dbraw/zinc/42/54/25/588425425.db2.gz YALPBRWFLHGKOF-UHFFFAOYSA-N 0 3 233.315 1.806 20 10 BDCDHN COc1cccc(CNC2=[NH+]CCCN2C)c1[O-] ZINC000849002617 588431250 /nfs/dbraw/zinc/43/12/50/588431250.db2.gz MPBQSQCWLILEHH-UHFFFAOYSA-N 0 3 249.314 1.182 20 10 BDCDHN CC[C@H](COC)[NH2+]Cc1c([O-])cccc1OC ZINC000850151005 588521961 /nfs/dbraw/zinc/52/19/61/588521961.db2.gz QECKFCAABPUUKO-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN CCOc1ccc(C[NH2+]C/C=C/CO)c([O-])c1 ZINC000850358000 588539111 /nfs/dbraw/zinc/53/91/11/588539111.db2.gz YHAZDLPRGACILT-ONEGZZNKSA-N 0 3 237.299 1.429 20 10 BDCDHN CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000850579044 588561848 /nfs/dbraw/zinc/56/18/48/588561848.db2.gz RFOIFYXRJDVRLC-NHCYSSNCSA-N 0 3 221.300 1.956 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862444135 589213762 /nfs/dbraw/zinc/21/37/62/589213762.db2.gz YIYXIXXHYZJRPP-DTORHVGOSA-N 0 3 207.248 1.983 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862444135 589213763 /nfs/dbraw/zinc/21/37/63/589213763.db2.gz YIYXIXXHYZJRPP-DTORHVGOSA-N 0 3 207.248 1.983 20 10 BDCDHN CCc1cccc(C[NH2+]CC2COC2)c1[O-] ZINC000862532118 589218102 /nfs/dbraw/zinc/21/81/02/589218102.db2.gz QIJKANWBSFCYMF-UHFFFAOYSA-N 0 3 221.300 1.691 20 10 BDCDHN C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])CN1 ZINC000863485159 589293374 /nfs/dbraw/zinc/29/33/74/589293374.db2.gz VOQLEKYPDSZJMO-KOLCDFICSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@@H]1CC[C@H](NCc2cccc(F)c2[O-])C[NH2+]1 ZINC000863485159 589293375 /nfs/dbraw/zinc/29/33/75/589293375.db2.gz VOQLEKYPDSZJMO-KOLCDFICSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccccc1[O-] ZINC000864454067 589366196 /nfs/dbraw/zinc/36/61/96/589366196.db2.gz STLFRFMULZNUIT-PSASIEDQSA-N 0 3 219.288 1.415 20 10 BDCDHN COc1cccc(CNC(=[NH2+])N[C@H]2C[C@@H]2C)c1[O-] ZINC000864455968 589366945 /nfs/dbraw/zinc/36/69/45/589366945.db2.gz AZHVGNLNKASTQI-WPRPVWTQSA-N 0 3 249.314 1.423 20 10 BDCDHN CC[C@@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988216 589707245 /nfs/dbraw/zinc/70/72/45/589707245.db2.gz JCGOGVCBXZYIJT-WCBMZHEXSA-N 0 3 222.288 1.307 20 10 BDCDHN C[C@H](NC(=O)C(C)(C)N)c1ccccc1O ZINC000870988639 589707314 /nfs/dbraw/zinc/70/73/14/589707314.db2.gz VVJICLKYCUPWDT-QMMMGPOBSA-N 0 3 222.288 1.307 20 10 BDCDHN CN(Cc1ccccc1[O-])CC12CC(C1)C[NH2+]2 ZINC000873204014 589994487 /nfs/dbraw/zinc/99/44/87/589994487.db2.gz WMWBUIPYQXAVQJ-UHFFFAOYSA-N 0 3 232.327 1.576 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC000876659835 590227176 /nfs/dbraw/zinc/22/71/76/590227176.db2.gz HISFNTPZNJYKRH-NSHDSACASA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC000876659835 590227178 /nfs/dbraw/zinc/22/71/78/590227178.db2.gz HISFNTPZNJYKRH-NSHDSACASA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H]1CCOC1 ZINC000876690655 590231004 /nfs/dbraw/zinc/23/10/04/590231004.db2.gz OYQBIPIMSWKCPM-NSHDSACASA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)[C@H]1CCOC1 ZINC000876690655 590231005 /nfs/dbraw/zinc/23/10/05/590231005.db2.gz OYQBIPIMSWKCPM-NSHDSACASA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000876791704 590241903 /nfs/dbraw/zinc/24/19/03/590241903.db2.gz PAHHCSASPJDCGK-CYBMUJFWSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(O)C1 ZINC000876791704 590241904 /nfs/dbraw/zinc/24/19/04/590241904.db2.gz PAHHCSASPJDCGK-CYBMUJFWSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C1CCN(C)CC1 ZINC000876897357 590254877 /nfs/dbraw/zinc/25/48/77/590254877.db2.gz BMLLWDPTGNXPEG-UHFFFAOYSA-N 0 3 234.343 1.884 20 10 BDCDHN CC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876915368 590256319 /nfs/dbraw/zinc/25/63/19/590256319.db2.gz QIZBPBHQUBRDSE-ZDUSSCGKSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)Cn2cncn2)c([O-])c1 ZINC000876977025 590264088 /nfs/dbraw/zinc/26/40/88/590264088.db2.gz QZBGCORMUDPOCV-NSHDSACASA-N 0 3 246.314 1.470 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)C(C)C ZINC000877037435 590272937 /nfs/dbraw/zinc/27/29/37/590272937.db2.gz QUGMCFQKSJATEJ-CYBMUJFWSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCC[S@@](C)=O ZINC000877052459 590275163 /nfs/dbraw/zinc/27/51/63/590275163.db2.gz XGFJEHVABHLVGG-MRXNPFEDSA-N 0 3 241.356 1.559 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CCO ZINC000877052245 590275380 /nfs/dbraw/zinc/27/53/80/590275380.db2.gz UDADQXSWWMXIOQ-SNVBAGLBSA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)[C@@H](C)CO ZINC000877058268 590275727 /nfs/dbraw/zinc/27/57/27/590275727.db2.gz WYBZCVAKMUFUIS-WDEREUQCSA-N 0 3 223.316 1.807 20 10 BDCDHN CN(C(=O)[C@H](N)C1CCC1)c1ccc(N)cc1 ZINC000877076977 590278758 /nfs/dbraw/zinc/27/87/58/590278758.db2.gz ZJDVKZCFAGQLMN-GFCCVEGCSA-N 0 3 233.315 1.359 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCC1 ZINC000877112065 590287295 /nfs/dbraw/zinc/28/72/95/590287295.db2.gz ODYXCEUNVZRASP-UHFFFAOYSA-N 0 3 220.316 1.496 20 10 BDCDHN CC[C@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877138409 590290988 /nfs/dbraw/zinc/29/09/88/590290988.db2.gz YPLQFHPILULZCK-SNVBAGLBSA-N 0 3 209.289 1.561 20 10 BDCDHN CCOCC[NH2+]Cc1c(C)cccc1[O-] ZINC000877146264 590292355 /nfs/dbraw/zinc/29/23/55/590292355.db2.gz QQKFJRDGYSTFQU-UHFFFAOYSA-N 0 3 209.289 1.827 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877460873 590331146 /nfs/dbraw/zinc/33/11/46/590331146.db2.gz YPLQFHPILULZCK-JTQLQIEISA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](CO)CC(F)F)c([O-])c1 ZINC000877479305 590336853 /nfs/dbraw/zinc/33/68/53/590336853.db2.gz UYPUWOUVDCGYRT-JTQLQIEISA-N 0 3 245.269 1.806 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c([O-])c1 ZINC000877499634 590341904 /nfs/dbraw/zinc/34/19/04/590341904.db2.gz RNAYJPSLONIVJV-GWCFXTLKSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H](C)CO ZINC000877526809 590347898 /nfs/dbraw/zinc/34/78/98/590347898.db2.gz LVNQDWKNJBSOKW-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H](C)CO ZINC000877526809 590347899 /nfs/dbraw/zinc/34/78/99/590347899.db2.gz LVNQDWKNJBSOKW-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN CCN1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])CC1=O ZINC000877566892 590362028 /nfs/dbraw/zinc/36/20/28/590362028.db2.gz BNJRGGNUFSYVLL-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN COC(=O)C1(C)CN(Cc2c(C)cccc2O)C1 ZINC000877599655 590371058 /nfs/dbraw/zinc/37/10/58/590371058.db2.gz CPEFLVIILHYYSZ-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN Cc1ccc(C[NH2+]CCN2CCCC2=O)c([O-])c1 ZINC000877613562 590373733 /nfs/dbraw/zinc/37/37/33/590373733.db2.gz LWCKZQQXWQNAEB-UHFFFAOYSA-N 0 3 248.326 1.413 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)c([O-])c1 ZINC000877624193 590377070 /nfs/dbraw/zinc/37/70/70/590377070.db2.gz AGASRLYNDGJSJM-NSHDSACASA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[N@@H+](C)C2(CO)CC2)c([O-])c1 ZINC000877642486 590382240 /nfs/dbraw/zinc/38/22/40/590382240.db2.gz XBSKJUMIATWJIE-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[N@H+](C)C2(CO)CC2)c([O-])c1 ZINC000877642486 590382242 /nfs/dbraw/zinc/38/22/42/590382242.db2.gz XBSKJUMIATWJIE-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN [NH3+][C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000128319700 590978850 /nfs/dbraw/zinc/97/88/50/590978850.db2.gz JMLWGGLIQUVZGU-QMMMGPOBSA-N 0 3 226.707 1.579 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCSC2)c1 ZINC000129580961 591329192 /nfs/dbraw/zinc/32/91/92/591329192.db2.gz PCTFCNKQJXZWKW-SNVBAGLBSA-N 0 3 239.340 1.996 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@@H](C)O)cc1C ZINC000130759022 591515769 /nfs/dbraw/zinc/51/57/69/591515769.db2.gz XJLJNKCEEOKFAX-LLVKDONJSA-N 0 3 223.316 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)C[C@@H](C)O)cc1C ZINC000130759022 591515771 /nfs/dbraw/zinc/51/57/71/591515771.db2.gz XJLJNKCEEOKFAX-LLVKDONJSA-N 0 3 223.316 1.822 20 10 BDCDHN COC(CN(C)Cc1ccccc1O)OC ZINC000131027140 591543262 /nfs/dbraw/zinc/54/32/62/591543262.db2.gz BJQXITWPVOLMIL-UHFFFAOYSA-N 0 3 225.288 1.443 20 10 BDCDHN Nc1ccc(CCNC(=O)[C@H](N)CC2CC2)cc1 ZINC000884028908 591812529 /nfs/dbraw/zinc/81/25/29/591812529.db2.gz VZHIMHPVLSEQRF-CYBMUJFWSA-N 0 3 247.342 1.055 20 10 BDCDHN CC(C)(CO)C[NH2+]Cc1ccccc1[O-] ZINC000133525581 591819131 /nfs/dbraw/zinc/81/91/31/591819131.db2.gz WRKGHKSFULQVOR-UHFFFAOYSA-N 0 3 209.289 1.500 20 10 BDCDHN COc1ccc(CN[C@H](C)CC(N)=O)cc1C ZINC000135729700 592042034 /nfs/dbraw/zinc/04/20/34/592042034.db2.gz YVYUFTCSVKNZGX-SNVBAGLBSA-N 0 3 236.315 1.357 20 10 BDCDHN CN(Cc1ccccc1O)C(=O)[C@@H](N)CC1CC1 ZINC000302666579 592551093 /nfs/dbraw/zinc/55/10/93/592551093.db2.gz KGMXIFFUDAPJFB-LBPRGKRZSA-N 0 3 248.326 1.478 20 10 BDCDHN COC(OC)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000234595457 635556279 /nfs/dbraw/zinc/55/62/79/635556279.db2.gz BUCVCTXRQDUVAL-MRVPVSSYSA-N 0 3 243.278 1.628 20 10 BDCDHN CC(C)(CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000310465465 632743676 /nfs/dbraw/zinc/74/36/76/632743676.db2.gz GNYNVGHMDSQHIE-LLVKDONJSA-N 0 3 235.327 1.988 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c([O-])c1 ZINC000168830055 633149174 /nfs/dbraw/zinc/14/91/74/633149174.db2.gz UWARYVFRIYZWSG-UWVGGRQHSA-N 0 3 236.315 1.615 20 10 BDCDHN C[C@@H](N[C@H]1CNOC1)c1cc(F)ccc1O ZINC000925870452 635583880 /nfs/dbraw/zinc/58/38/80/635583880.db2.gz WTEYOXGPHMYZLW-APPZFPTMSA-N 0 3 226.251 1.085 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCN1C ZINC000896593949 636205324 /nfs/dbraw/zinc/20/53/24/636205324.db2.gz DAJBGHDDIBVEJJ-LLVKDONJSA-N 0 3 220.316 1.494 20 10 BDCDHN CC[C@@H]([NH2+]CCCON)c1ccccc1[O-] ZINC000902425887 637305043 /nfs/dbraw/zinc/30/50/43/637305043.db2.gz OSBMAPAVTITKDN-LLVKDONJSA-N 0 3 224.304 1.713 20 10 BDCDHN C[NH2+][C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000150073520 639300096 /nfs/dbraw/zinc/30/00/96/639300096.db2.gz RYBIBJHPPRHKAY-LLVKDONJSA-N 0 3 240.734 1.839 20 10 BDCDHN COC[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000083345899 643436408 /nfs/dbraw/zinc/43/64/08/643436408.db2.gz JFVPBQSRTLPTTJ-SNVBAGLBSA-N 0 3 209.289 1.825 20 10 BDCDHN C[NH2+]CCN(C)Cc1cc(Cl)ccc1[O-] ZINC000069800739 643451589 /nfs/dbraw/zinc/45/15/89/643451589.db2.gz UWERSNQYSMYGTH-UHFFFAOYSA-N 0 3 228.723 1.697 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000050394508 643695971 /nfs/dbraw/zinc/69/59/71/643695971.db2.gz DCFJVIQDGRVSHP-MWLCHTKSSA-N 0 3 234.299 1.321 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(F)ccc1[O-] ZINC000094617858 644720514 /nfs/dbraw/zinc/72/05/14/644720514.db2.gz QZUUWIWSDVNAGL-MWLCHTKSSA-N 0 3 238.306 1.886 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC000249958458 644745331 /nfs/dbraw/zinc/74/53/31/644745331.db2.gz JKRKDOHPOANPPD-ZYHUDNBSSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC000249958458 644745340 /nfs/dbraw/zinc/74/53/40/644745340.db2.gz JKRKDOHPOANPPD-ZYHUDNBSSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccccc1[O-] ZINC000817984032 644994146 /nfs/dbraw/zinc/99/41/46/644994146.db2.gz VCIKIOFLHGPVRD-GHMZBOCLSA-N 0 3 236.315 1.031 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1CNCCO1)c1ccccc1[O-] ZINC000817984035 644994203 /nfs/dbraw/zinc/99/42/03/644994203.db2.gz VCIKIOFLHGPVRD-WDEREUQCSA-N 0 3 236.315 1.031 20 10 BDCDHN CC[C@H]([NH2+][C@@H]1CNOC1)c1ccccc1[O-] ZINC000925862136 646514628 /nfs/dbraw/zinc/51/46/28/646514628.db2.gz LOZOWNZFEZICPJ-KOLCDFICSA-N 0 3 222.288 1.336 20 10 BDCDHN CO[C@H](C)C[N@H+](C)Cc1ccccc1[O-] ZINC000182334452 711894878 /nfs/dbraw/zinc/89/48/78/711894878.db2.gz CNFQWZFFEYJTNV-SNVBAGLBSA-N 0 3 209.289 1.859 20 10 BDCDHN CO[C@H](C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000182334452 711894883 /nfs/dbraw/zinc/89/48/83/711894883.db2.gz CNFQWZFFEYJTNV-SNVBAGLBSA-N 0 3 209.289 1.859 20 10 BDCDHN C[C@H]([NH2+]CC1OCCO1)c1ccccc1[O-] ZINC000381339591 710624214 /nfs/dbraw/zinc/62/42/14/710624214.db2.gz XCFDDNPEVWNIAL-VIFPVBQESA-N 0 3 223.272 1.416 20 10 BDCDHN CCOC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000045686355 711487859 /nfs/dbraw/zinc/48/78/59/711487859.db2.gz OFZIKMNGZGLTAN-JTQLQIEISA-N 0 3 237.299 1.996 20 10 BDCDHN CCOC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000382449049 711504936 /nfs/dbraw/zinc/50/49/36/711504936.db2.gz HPNOKGNRLCONMW-WDEREUQCSA-N 0 3 239.315 1.440 20 10 BDCDHN [O-]c1ccc(F)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385390623 711704017 /nfs/dbraw/zinc/70/40/17/711704017.db2.gz SJIDDIDFMPYCIO-SKDRFNHKSA-N 0 3 236.290 1.325 20 10 BDCDHN CCN1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000722341524 711741365 /nfs/dbraw/zinc/74/13/65/711741365.db2.gz IUZIPLIBJRKZFH-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccccc1[O-] ZINC000707641943 712176231 /nfs/dbraw/zinc/17/62/31/712176231.db2.gz YMLXWCVQSWSBQC-MXWKQRLJSA-N 0 3 221.300 1.814 20 10 BDCDHN CN1CC[C@@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000712581803 712433638 /nfs/dbraw/zinc/43/36/38/712433638.db2.gz PSYZIFWNDNLLNS-NEPJUHHUSA-N 0 3 232.327 1.673 20 10 BDCDHN C[C@H]([NH2+]C/C=C/CO)c1ccccc1[O-] ZINC000717533044 712660635 /nfs/dbraw/zinc/66/06/35/712660635.db2.gz MAJPWVZJDWTZEC-YEZKRMTDSA-N 0 3 207.273 1.591 20 10 BDCDHN Cc1c(O)ccc(CN2CCSCC2)c1O ZINC001140744258 960544329 /nfs/dbraw/zinc/54/43/29/960544329.db2.gz QYVWSMRGPLHLLL-UHFFFAOYSA-N 0 3 239.340 1.955 20 10 BDCDHN COC[C@@H]1CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233336292 978569423 /nfs/dbraw/zinc/56/94/23/978569423.db2.gz GRVXQEGZLPTCHY-QMMMGPOBSA-N 0 3 243.253 1.891 20 10 BDCDHN COC[C@@H]1CC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233336292 978569426 /nfs/dbraw/zinc/56/94/26/978569426.db2.gz GRVXQEGZLPTCHY-QMMMGPOBSA-N 0 3 243.253 1.891 20 10 BDCDHN C[C@@]1([NH3+])CCN(Cc2c([O-])cccc2Cl)C1 ZINC000405851712 971315088 /nfs/dbraw/zinc/31/50/88/971315088.db2.gz YFVUUPGMMRQDER-GFCCVEGCSA-N 0 3 240.734 1.969 20 10 BDCDHN COC(CN(C)Cc1ccc(C)cc1O)OC ZINC001140950705 960757246 /nfs/dbraw/zinc/75/72/46/960757246.db2.gz DTMFUPYAQSFPBM-UHFFFAOYSA-N 0 3 239.315 1.751 20 10 BDCDHN C[C@@H]1CN(Cc2cc(O)ccc2O)CCN1C ZINC001141159813 960896784 /nfs/dbraw/zinc/89/67/84/960896784.db2.gz LIZIIGCYVSEFPT-SNVBAGLBSA-N 0 3 236.315 1.234 20 10 BDCDHN CN(Cc1cc(O)ccc1O)[C@@H]1CCOC1 ZINC001141159809 960897398 /nfs/dbraw/zinc/89/73/98/960897398.db2.gz KZBLFDJLOSNNJQ-SNVBAGLBSA-N 0 3 223.272 1.319 20 10 BDCDHN CC(=O)[C@@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162599 960904504 /nfs/dbraw/zinc/90/45/04/960904504.db2.gz WUGMZMGYIWQBQN-SNVBAGLBSA-N 0 3 235.283 1.509 20 10 BDCDHN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1[O-] ZINC001203555646 966693160 /nfs/dbraw/zinc/69/31/60/966693160.db2.gz BAJYOUNHMYYOHO-ZYHUDNBSSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccccc1[O-] ZINC001203555646 966693165 /nfs/dbraw/zinc/69/31/65/966693165.db2.gz BAJYOUNHMYYOHO-ZYHUDNBSSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C[C@@H]1O ZINC001204276074 966952795 /nfs/dbraw/zinc/95/27/95/966952795.db2.gz FTJDUFXMHQKIHH-RNCFNFMXSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@@H]1O ZINC001204276074 966952804 /nfs/dbraw/zinc/95/28/04/966952804.db2.gz FTJDUFXMHQKIHH-RNCFNFMXSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@H](O)CN1CCCc2cc(O)c(O)cc2C1 ZINC001251962029 968397290 /nfs/dbraw/zinc/39/72/90/968397290.db2.gz DJTQLHKRCLGULL-VIFPVBQESA-N 0 3 237.299 1.227 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC000180199897 968488589 /nfs/dbraw/zinc/48/85/89/968488589.db2.gz WCZNXIUVCITQLU-ZDUSSCGKSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC000180199897 968488596 /nfs/dbraw/zinc/48/85/96/968488596.db2.gz WCZNXIUVCITQLU-ZDUSSCGKSA-N 0 3 237.299 1.358 20 10 BDCDHN CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC001169501542 969685619 /nfs/dbraw/zinc/68/56/19/969685619.db2.gz AHIMATTVFKNJIW-JQWIXIFHSA-N 0 3 248.326 1.664 20 10 BDCDHN Cc1cccc(CNc2cc(CN)ncn2)c1O ZINC001160769477 973050789 /nfs/dbraw/zinc/05/07/89/973050789.db2.gz OYOMEXRIWBQOIJ-UHFFFAOYSA-N 0 3 244.298 1.561 20 10 BDCDHN Cc1ccc(O)c2c1[C@H](C)C[C@@H]2N[C@@H]1CNOC1 ZINC001332880546 975308467 /nfs/dbraw/zinc/30/84/67/975308467.db2.gz WWBASPXVIQSLDM-MXWKQRLJSA-N 0 3 248.326 1.742 20 10 BDCDHN CN(c1ccc(N)cc1)C1=CCCN(C)C1 ZINC001175578244 977595901 /nfs/dbraw/zinc/59/59/01/977595901.db2.gz JGOZJLPZPLLVJO-UHFFFAOYSA-N 0 3 217.316 1.924 20 10 BDCDHN CCN(CC)Cc1cc(O)c(O)c(O)c1 ZINC001233010069 978406906 /nfs/dbraw/zinc/40/69/06/978406906.db2.gz JPESRVHRGATCSQ-UHFFFAOYSA-N 0 3 211.261 1.645 20 10 BDCDHN CN1CCN(Cc2c(O)ccc(F)c2F)CC1 ZINC001233331710 978560584 /nfs/dbraw/zinc/56/05/84/978560584.db2.gz HWFDRYDCJBGLEY-UHFFFAOYSA-N 0 3 242.269 1.418 20 10 BDCDHN CN1CCC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203560525 979757821 /nfs/dbraw/zinc/75/78/21/979757821.db2.gz BQUUQZMOACIYHK-TZMCWYRMSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203560525 979757828 /nfs/dbraw/zinc/75/78/28/979757828.db2.gz BQUUQZMOACIYHK-TZMCWYRMSA-N 0 3 246.354 1.918 20 10 BDCDHN COC(=O)CC[N@H+](C)Cc1c(C)cccc1[O-] ZINC001237491969 979916576 /nfs/dbraw/zinc/91/65/76/979916576.db2.gz NFCZCWDPTSUYIM-UHFFFAOYSA-N 0 3 237.299 1.696 20 10 BDCDHN COC(=O)CC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC001237491969 979916586 /nfs/dbraw/zinc/91/65/86/979916586.db2.gz NFCZCWDPTSUYIM-UHFFFAOYSA-N 0 3 237.299 1.696 20 10 BDCDHN CC(C)[C@@H](C(=O)NCc1ccc(N)cc1)N(C)C ZINC001343474283 980119239 /nfs/dbraw/zinc/11/92/39/980119239.db2.gz UCEVKYZWTPYLEE-ZDUSSCGKSA-N 0 3 249.358 1.471 20 10 BDCDHN C[C@H](NCc1ccc(N)cc1)c1ccnn1C ZINC001345160084 980569956 /nfs/dbraw/zinc/56/99/56/980569956.db2.gz QTLKQLKFSUGPAP-JTQLQIEISA-N 0 3 230.315 1.853 20 10 BDCDHN Cn1ccc(-c2cncc3cc[nH]c32)cc1=O ZINC001240986802 982071281 /nfs/dbraw/zinc/07/12/81/982071281.db2.gz VUZXKXZGFHVORL-UHFFFAOYSA-N 0 3 225.251 1.929 20 10 BDCDHN Oc1ccc(CN2CCC[C@]23CCOC3)cc1O ZINC001203878565 982568516 /nfs/dbraw/zinc/56/85/16/982568516.db2.gz CPFADUMHWBKKPD-CQSZACIVSA-N 0 3 249.310 1.853 20 10 BDCDHN COCCN1CCN(Cc2ccc(N)cc2)CC1 ZINC001356083644 983569332 /nfs/dbraw/zinc/56/93/32/983569332.db2.gz WUNLXHDFKFZGQX-UHFFFAOYSA-N 0 3 249.358 1.033 20 10 BDCDHN O=C(Cc1c[nH]cn1)N1Cc2cccc(O)c2C1 ZINC001455037701 985057558 /nfs/dbraw/zinc/05/75/58/985057558.db2.gz TYYPXZPDHKMEDL-UHFFFAOYSA-N 0 3 243.266 1.200 20 10 BDCDHN COC(=O)N(C)CC[NH2+]Cc1ccccc1[O-] ZINC000689494309 986678310 /nfs/dbraw/zinc/67/83/10/986678310.db2.gz OXCRUEURXMLHQR-UHFFFAOYSA-N 0 3 238.287 1.180 20 10 BDCDHN COc1cc(C)c(C[N@H+](C)CCCO)c([O-])c1 ZINC001474470072 987729231 /nfs/dbraw/zinc/72/92/31/987729231.db2.gz YBEMOLSKEJQZNH-UHFFFAOYSA-N 0 3 239.315 1.523 20 10 BDCDHN COc1cc(C)c(C[N@@H+](C)CCCO)c([O-])c1 ZINC001474470072 987729236 /nfs/dbraw/zinc/72/92/36/987729236.db2.gz YBEMOLSKEJQZNH-UHFFFAOYSA-N 0 3 239.315 1.523 20 10 BDCDHN CC[C@@H]([NH2+]Cc1c([O-])cccc1OC)[C@H](C)O ZINC001325133329 989096057 /nfs/dbraw/zinc/09/60/57/989096057.db2.gz PIVRNMDTXAPWHX-GXSJLCMTSA-N 0 3 239.315 1.650 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC001140057102 991508037 /nfs/dbraw/zinc/50/80/37/991508037.db2.gz COQMLGAJUCUYFQ-NOZJJQNGSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC001140057102 991508049 /nfs/dbraw/zinc/50/80/49/991508049.db2.gz COQMLGAJUCUYFQ-NOZJJQNGSA-N 0 3 239.290 1.734 20 10 BDCDHN Cc1cc([O-])c(CNC2C[NH2+]C2)c(Cl)c1 ZINC001574144395 992813714 /nfs/dbraw/zinc/81/37/14/992813714.db2.gz QDCKFAXDUZYUNO-UHFFFAOYSA-N 0 3 226.707 1.415 20 10 BDCDHN C[C@H]1CCN(CC(=O)NCc2ccc(N)cc2)C1 ZINC001576728972 993406268 /nfs/dbraw/zinc/40/62/68/993406268.db2.gz BBBDFUXJHAJGAO-NSHDSACASA-N 0 3 247.342 1.227 20 10 BDCDHN CCN1CC[C@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC000389188000 993744018 /nfs/dbraw/zinc/74/40/18/993744018.db2.gz SZODQOWCYNZGPP-NSHDSACASA-N 0 3 236.315 1.282 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]CC(C)(C)O)cc1C ZINC000164538968 178197630 /nfs/dbraw/zinc/19/76/30/178197630.db2.gz BENFXBWTXVBMCF-UHFFFAOYSA-N 0 3 223.316 1.870 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]CCCCO)cc1C ZINC000193255736 178197838 /nfs/dbraw/zinc/19/78/38/178197838.db2.gz XZVIXJPIUOHUGD-UHFFFAOYSA-N 0 3 223.316 1.871 20 10 BDCDHN CC(C)[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000272262565 187335710 /nfs/dbraw/zinc/33/57/10/187335710.db2.gz KHOPYPWQLMBTIX-UHFFFAOYSA-N 0 3 227.279 1.734 20 10 BDCDHN CC(C)[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000272262565 187335712 /nfs/dbraw/zinc/33/57/12/187335712.db2.gz KHOPYPWQLMBTIX-UHFFFAOYSA-N 0 3 227.279 1.734 20 10 BDCDHN CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000133139774 398310728 /nfs/dbraw/zinc/31/07/28/398310728.db2.gz UDNXNDAMHZTKIO-NXEZZACHSA-N 0 3 209.289 1.905 20 10 BDCDHN C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000228791599 398341733 /nfs/dbraw/zinc/34/17/33/398341733.db2.gz MJQPSMBSCAOCDA-OIBJUYFYSA-N 0 3 249.232 1.966 20 10 BDCDHN CC[C@@H]([NH2+][C@@H](C)CO)c1ccccc1[O-] ZINC000035602845 343299774 /nfs/dbraw/zinc/29/97/74/343299774.db2.gz YWQZBLCLTGPWSI-GXSJLCMTSA-N 0 3 209.289 1.814 20 10 BDCDHN Nc1ccc(CN2CCN(C3CC3)CC2)cc1 ZINC000042317629 343434548 /nfs/dbraw/zinc/43/45/48/343434548.db2.gz XAIXMLZCBNHJKI-UHFFFAOYSA-N 0 3 231.343 1.549 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@]2(C)CCOC2)c1 ZINC000120220124 178799173 /nfs/dbraw/zinc/79/91/73/178799173.db2.gz LVDQYCYSVHYLAD-ZDUSSCGKSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1cccc(CN(CC(N)=O)C(C)C)c1O ZINC000124514537 179071021 /nfs/dbraw/zinc/07/10/21/179071021.db2.gz UFQBAIJPYXIBAI-UHFFFAOYSA-N 0 3 236.315 1.396 20 10 BDCDHN Cc1cccc(C[N@@H+](C)CC[C@@H](C)O)c1[O-] ZINC000132508300 179065703 /nfs/dbraw/zinc/06/57/03/179065703.db2.gz ANZBVOHVNQILHB-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[N@H+](C)CC[C@@H](C)O)c1[O-] ZINC000132508300 179065704 /nfs/dbraw/zinc/06/57/04/179065704.db2.gz ANZBVOHVNQILHB-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(CN2CCNC(=O)C[C@@H]2C)c1O ZINC000368132323 179075750 /nfs/dbraw/zinc/07/57/50/179075750.db2.gz FSHZBPKCQXQLPP-NSHDSACASA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1[O-] ZINC000124835576 179098198 /nfs/dbraw/zinc/09/81/98/179098198.db2.gz GOQNEULKJGXYLF-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2CCCCNC2=O)c1[O-] ZINC000124696833 179102038 /nfs/dbraw/zinc/10/20/38/179102038.db2.gz BKMNULVYKJKWOA-LBPRGKRZSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1cccc(CN[C@H]2CCCCNC2=O)c1O ZINC000124696833 179102040 /nfs/dbraw/zinc/10/20/40/179102040.db2.gz BKMNULVYKJKWOA-LBPRGKRZSA-N 0 3 248.326 1.459 20 10 BDCDHN CCN(Cc1ccccc1O)[C@@H]1CCNC1=O ZINC000281798981 351909924 /nfs/dbraw/zinc/90/99/24/351909924.db2.gz OSOSABQEXZYAEZ-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCO)CC2 ZINC000296009500 183060811 /nfs/dbraw/zinc/06/08/11/183060811.db2.gz OTEOSLNJOJNZKX-SNVBAGLBSA-N 0 3 207.273 1.352 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1CO ZINC000179981287 183119514 /nfs/dbraw/zinc/11/95/14/183119514.db2.gz XBIMAHYLASNODZ-NSHDSACASA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1CO ZINC000179981287 183119518 /nfs/dbraw/zinc/11/95/18/183119518.db2.gz XBIMAHYLASNODZ-NSHDSACASA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000363940275 183303339 /nfs/dbraw/zinc/30/33/39/183303339.db2.gz XOOYODZUZZPZDV-LBPRGKRZSA-N 0 3 243.310 1.762 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000070880282 183303748 /nfs/dbraw/zinc/30/37/48/183303748.db2.gz RTNHHAZPHGGSJN-GFCCVEGCSA-N 0 3 207.273 1.253 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCOC1 ZINC000037738032 183303766 /nfs/dbraw/zinc/30/37/66/183303766.db2.gz AUFJXIPUDALONE-SNVBAGLBSA-N 0 3 207.273 1.518 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188818653 183304131 /nfs/dbraw/zinc/30/41/31/183304131.db2.gz IWYRJVOFKJLDAE-JQWIXIFHSA-N 0 3 221.300 1.643 20 10 BDCDHN COC[C@@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000072629626 384012844 /nfs/dbraw/zinc/01/28/44/384012844.db2.gz IBVFMJLFYQFRMG-SNVBAGLBSA-N 0 3 209.289 1.859 20 10 BDCDHN COC[C@@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000072629626 384012848 /nfs/dbraw/zinc/01/28/48/384012848.db2.gz IBVFMJLFYQFRMG-SNVBAGLBSA-N 0 3 209.289 1.859 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000071012510 384147699 /nfs/dbraw/zinc/14/76/99/384147699.db2.gz DBHNPCUBFZHHNG-GFCCVEGCSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCOC2)c1 ZINC000071012513 384148112 /nfs/dbraw/zinc/14/81/12/384148112.db2.gz DBHNPCUBFZHHNG-LBPRGKRZSA-N 0 3 221.300 1.969 20 10 BDCDHN COC[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000071264963 384156340 /nfs/dbraw/zinc/15/63/40/384156340.db2.gz YVMWENYSVJPPTL-GHMZBOCLSA-N 0 3 239.315 1.359 20 10 BDCDHN COC[C@H](O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000071265164 384156615 /nfs/dbraw/zinc/15/66/15/384156615.db2.gz LBIKVFCCIAOASP-GHMZBOCLSA-N 0 3 239.315 1.359 20 10 BDCDHN C[C@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000132433380 384189650 /nfs/dbraw/zinc/18/96/50/384189650.db2.gz HATLBZPDAXAMOR-NXEZZACHSA-N 0 3 209.289 1.814 20 10 BDCDHN COC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000132679499 384243012 /nfs/dbraw/zinc/24/30/12/384243012.db2.gz WLKJJYKWRFEXJY-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN COC[C@@H](C)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000132679499 384243019 /nfs/dbraw/zinc/24/30/19/384243019.db2.gz WLKJJYKWRFEXJY-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN C[C@H]1OCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000120820928 384382789 /nfs/dbraw/zinc/38/27/89/384382789.db2.gz GJLMVLIBOKYEQM-ZWNOBZJWSA-N 0 3 233.311 1.889 20 10 BDCDHN COC[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019904652 384552280 /nfs/dbraw/zinc/55/22/80/384552280.db2.gz VWPCASGGWYOJPE-SECBINFHSA-N 0 3 225.288 1.525 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000272919357 384623376 /nfs/dbraw/zinc/62/33/76/384623376.db2.gz XULWYGVCQKNPKI-ZJUUUORDSA-N 0 3 234.299 1.274 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000272919355 384624362 /nfs/dbraw/zinc/62/43/62/384624362.db2.gz XULWYGVCQKNPKI-VHSXEESVSA-N 0 3 234.299 1.274 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020196165 384596070 /nfs/dbraw/zinc/59/60/70/384596070.db2.gz GWSXSDQVXBPGMQ-JTQLQIEISA-N 0 3 225.288 1.261 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)CO)c([O-])c1 ZINC000083219206 384752916 /nfs/dbraw/zinc/75/29/16/384752916.db2.gz DMCHHMIEBFEDPQ-QWRGUYRKSA-N 0 3 223.316 1.980 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1[O-] ZINC000084061484 384832083 /nfs/dbraw/zinc/83/20/83/384832083.db2.gz MJMJXDGJRCWKJL-QWRGUYRKSA-N 0 3 248.326 1.664 20 10 BDCDHN Cc1ccc([O-])c(C[NH+]2CC(C(C)(C)O)C2)c1 ZINC000297439250 384807112 /nfs/dbraw/zinc/80/71/12/384807112.db2.gz PHFRWVABEYNFCG-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN CS[C@@H](CO)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000164279254 384955217 /nfs/dbraw/zinc/95/52/17/384955217.db2.gz NPWYYJMMHGATNN-SKDRFNHKSA-N 0 3 241.356 1.594 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000194543369 385439101 /nfs/dbraw/zinc/43/91/01/385439101.db2.gz SQJLIRLPOQMRFR-OKILXGFUSA-N 0 3 246.354 1.694 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1 ZINC000194543369 385439103 /nfs/dbraw/zinc/43/91/03/385439103.db2.gz SQJLIRLPOQMRFR-OKILXGFUSA-N 0 3 246.354 1.694 20 10 BDCDHN C[C@@H]([NH2+]CCCOCCO)c1ccccc1[O-] ZINC000183721922 385793424 /nfs/dbraw/zinc/79/34/24/385793424.db2.gz MRRCKOZMCXTWMD-LLVKDONJSA-N 0 3 239.315 1.442 20 10 BDCDHN COC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000234892399 386114524 /nfs/dbraw/zinc/11/45/24/386114524.db2.gz VDEGACKVQUGGBT-VHSXEESVSA-N 0 3 225.288 1.050 20 10 BDCDHN Cn1nccc1CC[N@H+](C)Cc1ccccc1[O-] ZINC000276316748 386302137 /nfs/dbraw/zinc/30/21/37/386302137.db2.gz NOEXNQHCCIJVOK-UHFFFAOYSA-N 0 3 245.326 1.800 20 10 BDCDHN Cn1nccc1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000276316748 386302141 /nfs/dbraw/zinc/30/21/41/386302141.db2.gz NOEXNQHCCIJVOK-UHFFFAOYSA-N 0 3 245.326 1.800 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H](C)CO)c1 ZINC000289517183 386320688 /nfs/dbraw/zinc/32/06/88/386320688.db2.gz VCTYDJQENQJXAZ-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)[C@H](C)CO)c1 ZINC000289517183 386320695 /nfs/dbraw/zinc/32/06/95/386320695.db2.gz VCTYDJQENQJXAZ-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611405 386344912 /nfs/dbraw/zinc/34/49/12/386344912.db2.gz SEQZRDZYCLQGEL-IUCAKERBSA-N 0 3 227.279 1.638 20 10 BDCDHN CO[C@H]1COC[C@@H]1NCc1cc(C)ccc1O ZINC000289900489 386367065 /nfs/dbraw/zinc/36/70/65/386367065.db2.gz UBRLGSMQOKPAMB-AAEUAGOBSA-N 0 3 237.299 1.204 20 10 BDCDHN CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000289900489 386367070 /nfs/dbraw/zinc/36/70/70/386367070.db2.gz UBRLGSMQOKPAMB-AAEUAGOBSA-N 0 3 237.299 1.204 20 10 BDCDHN COC[C@@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226587911 386337901 /nfs/dbraw/zinc/33/79/01/386337901.db2.gz WNRHVQSDFNJVNP-VIFPVBQESA-N 0 3 227.279 1.903 20 10 BDCDHN COC[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000227717467 386506681 /nfs/dbraw/zinc/50/66/81/386506681.db2.gz OGHCDTPEXWNBGQ-LLVKDONJSA-N 0 3 243.278 1.282 20 10 BDCDHN C[N@H+](CCC(C)(C)O)Cc1ccccc1[O-] ZINC000267456608 386546451 /nfs/dbraw/zinc/54/64/51/386546451.db2.gz SZWNTRGGRDCEPW-UHFFFAOYSA-N 0 3 223.316 1.985 20 10 BDCDHN C[N@@H+](CCC(C)(C)O)Cc1ccccc1[O-] ZINC000267456608 386546457 /nfs/dbraw/zinc/54/64/57/386546457.db2.gz SZWNTRGGRDCEPW-UHFFFAOYSA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@H](CO)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000295074396 386690857 /nfs/dbraw/zinc/69/08/57/386690857.db2.gz HSBJFKIFYCWBOK-GFCCVEGCSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[C@H](CO)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000295074396 386690870 /nfs/dbraw/zinc/69/08/70/386690870.db2.gz HSBJFKIFYCWBOK-GFCCVEGCSA-N 0 3 223.316 1.903 20 10 BDCDHN C[C@H](CF)NCc1cc2c(cc1O)OCO2 ZINC000288371561 386755652 /nfs/dbraw/zinc/75/56/52/386755652.db2.gz FCTRJWHGTYOXRS-SSDOTTSWSA-N 0 3 227.235 1.569 20 10 BDCDHN CO[C@@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000191204950 386776558 /nfs/dbraw/zinc/77/65/58/386776558.db2.gz JZFJEBNIGVOGFO-QMMMGPOBSA-N 0 3 213.252 1.656 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]CC2COC2)c([O-])c1 ZINC000528023049 387828310 /nfs/dbraw/zinc/82/83/10/387828310.db2.gz CDQDPEOVRRAVDJ-SNVBAGLBSA-N 0 3 221.300 1.998 20 10 BDCDHN COc1cc(Cl)cc(C[NH2+]CCO)c1[O-] ZINC000076274284 387865011 /nfs/dbraw/zinc/86/50/11/387865011.db2.gz RUVWXHNTJBTLGS-UHFFFAOYSA-N 0 3 231.679 1.136 20 10 BDCDHN COC[C@@H](O)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000224932967 387942030 /nfs/dbraw/zinc/94/20/30/387942030.db2.gz BWHUPOHPEJYIIJ-LBPRGKRZSA-N 0 3 239.315 1.188 20 10 BDCDHN C[C@H](C[S@](C)=O)[NH2+]Cc1ccccc1[O-] ZINC000164253865 388182955 /nfs/dbraw/zinc/18/29/55/388182955.db2.gz KGQWHRSITWNHOZ-RFAUZJTJSA-N 0 3 227.329 1.249 20 10 BDCDHN C[C@@H](CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295782696 398087705 /nfs/dbraw/zinc/08/77/05/398087705.db2.gz AZVWVETYNIOKNZ-MWLCHTKSSA-N 0 3 221.300 1.598 20 10 BDCDHN C[C@H](CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295782700 398087970 /nfs/dbraw/zinc/08/79/70/398087970.db2.gz AZVWVETYNIOKNZ-ONGXEEELSA-N 0 3 221.300 1.598 20 10 BDCDHN CCOCCN(C)Cc1cc(OC)ccc1O ZINC000156089179 170390336 /nfs/dbraw/zinc/39/03/36/170390336.db2.gz HGDMKUYJHUDMMH-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000274859954 171540018 /nfs/dbraw/zinc/54/00/18/171540018.db2.gz CQOUTCQKYXWLAW-PWSUYJOCSA-N 0 3 248.326 1.664 20 10 BDCDHN CN(C)C(=O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297542538 172360426 /nfs/dbraw/zinc/36/04/26/172360426.db2.gz FELINGIBGLXNNQ-LLVKDONJSA-N 0 3 248.326 1.447 20 10 BDCDHN CN1CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000163759252 173056041 /nfs/dbraw/zinc/05/60/41/173056041.db2.gz QCBLHTHXXQCFSM-LBPRGKRZSA-N 0 3 220.316 1.576 20 10 BDCDHN CN1C[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000194538508 173197563 /nfs/dbraw/zinc/19/75/63/173197563.db2.gz YARKCWYBJDVRHV-BETUJISGSA-N 0 3 232.327 1.386 20 10 BDCDHN CN1C[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]2C1 ZINC000194538508 173197565 /nfs/dbraw/zinc/19/75/65/173197565.db2.gz YARKCWYBJDVRHV-BETUJISGSA-N 0 3 232.327 1.386 20 10 BDCDHN CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000042560269 173303693 /nfs/dbraw/zinc/30/36/93/173303693.db2.gz OTWYEEWJIQQPFP-BDAKNGLRSA-N 0 3 222.288 1.177 20 10 BDCDHN COCC[C@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000081705325 174406653 /nfs/dbraw/zinc/40/66/53/174406653.db2.gz WBQHAOYEZGOLLC-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000071265166 174597863 /nfs/dbraw/zinc/59/78/63/174597863.db2.gz LBIKVFCCIAOASP-WDEREUQCSA-N 0 3 239.315 1.359 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](CCO)C(C)C)c1 ZINC000271793390 175157031 /nfs/dbraw/zinc/15/70/31/175157031.db2.gz JPYQTMMTCWLLDG-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](CCO)C(C)C)c1 ZINC000271793390 175157032 /nfs/dbraw/zinc/15/70/32/175157032.db2.gz JPYQTMMTCWLLDG-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)CCO)c1 ZINC000097436197 175158735 /nfs/dbraw/zinc/15/87/35/175158735.db2.gz PQMBMGKLRGJOEL-SNVBAGLBSA-N 0 3 239.315 1.509 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CCn2cccn2)c1 ZINC000042539170 175158987 /nfs/dbraw/zinc/15/89/87/175158987.db2.gz PQCLETXQYVBMOA-UHFFFAOYSA-N 0 3 247.298 1.387 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038087868 175159135 /nfs/dbraw/zinc/15/91/35/175159135.db2.gz LOILEJBBTXYPPY-SNVBAGLBSA-N 0 3 238.331 1.441 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)N(C)C)c1 ZINC000038087867 175159297 /nfs/dbraw/zinc/15/92/97/175159297.db2.gz LOILEJBBTXYPPY-JTQLQIEISA-N 0 3 238.331 1.441 20 10 BDCDHN COc1cccc(CN2CC3(C2)CCOC3)c1O ZINC000293909906 175256820 /nfs/dbraw/zinc/25/68/20/175256820.db2.gz FYEFUUKRIRLUPO-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1cccc(C[NH2+]C(C)(C)CO)c1[O-] ZINC000020196443 175262943 /nfs/dbraw/zinc/26/29/43/175262943.db2.gz NFSFAZUDGOXEJC-UHFFFAOYSA-N 0 3 225.288 1.261 20 10 BDCDHN COc1cccc(C[NH2+]CC[C@@H](C)OC)c1[O-] ZINC000263831258 175264967 /nfs/dbraw/zinc/26/49/67/175264967.db2.gz VINWYZUYBITWRJ-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN COc1cccc(C[NH2+][C@H](C)[C@@H](C)CO)c1[O-] ZINC000077421966 175268111 /nfs/dbraw/zinc/26/81/11/175268111.db2.gz YNSVVNCQDGCUAB-VHSXEESVSA-N 0 3 239.315 1.507 20 10 BDCDHN C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000193687324 177174212 /nfs/dbraw/zinc/17/42/12/177174212.db2.gz BUNGSUKQRXSLDE-CABZTGNLSA-N 0 3 234.299 1.006 20 10 BDCDHN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1[O-] ZINC000292686301 177335646 /nfs/dbraw/zinc/33/56/46/177335646.db2.gz BAJYOUNHMYYOHO-JQWIXIFHSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1[O-] ZINC000292686301 177335648 /nfs/dbraw/zinc/33/56/48/177335648.db2.gz BAJYOUNHMYYOHO-JQWIXIFHSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1[O-] ZINC000725849390 582907041 /nfs/dbraw/zinc/90/70/41/582907041.db2.gz MBWOSTABWQCDOP-LLVKDONJSA-N 0 3 243.310 1.903 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)c1[O-] ZINC000814173161 583342762 /nfs/dbraw/zinc/34/27/62/583342762.db2.gz HDIXITNLYCAHNU-TZMCWYRMSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)c1[O-] ZINC000814173161 583342764 /nfs/dbraw/zinc/34/27/64/583342764.db2.gz HDIXITNLYCAHNU-TZMCWYRMSA-N 0 3 246.354 1.837 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCSC[C@H]1CO ZINC000877780338 583347481 /nfs/dbraw/zinc/34/74/81/583347481.db2.gz NCOULJUJZNYDAR-LLVKDONJSA-N 0 3 239.340 1.302 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCSC[C@H]1CO ZINC000877780338 583347484 /nfs/dbraw/zinc/34/74/84/583347484.db2.gz NCOULJUJZNYDAR-LLVKDONJSA-N 0 3 239.340 1.302 20 10 BDCDHN CCN1CCN(Cc2ccc(C)cc2O)CC1 ZINC000205610702 583401474 /nfs/dbraw/zinc/40/14/74/583401474.db2.gz PQZXVBBIOKZADX-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN COc1cc(C)cc(C[NH2+][C@H](C)CCO)c1[O-] ZINC000894284641 583410268 /nfs/dbraw/zinc/41/02/68/583410268.db2.gz RQUOAELJMMKPJE-SNVBAGLBSA-N 0 3 239.315 1.570 20 10 BDCDHN COCC[C@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000894654338 583500860 /nfs/dbraw/zinc/50/08/60/583500860.db2.gz FODACRLPYJGKNV-LLVKDONJSA-N 0 3 239.315 1.188 20 10 BDCDHN c1cc(CNC[C@H]2COCO2)cc2c1OCC2 ZINC000894870551 583539698 /nfs/dbraw/zinc/53/96/98/583539698.db2.gz LXFSKMSYCSIOQG-LBPRGKRZSA-N 0 3 235.283 1.084 20 10 BDCDHN CC1=NO[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000895312073 583646973 /nfs/dbraw/zinc/64/69/73/583646973.db2.gz TXQYPIBOMMLBSY-LLVKDONJSA-N 0 3 220.272 1.647 20 10 BDCDHN COc1cc(C)cc(CNC2CSC2)c1O ZINC000895316028 583648773 /nfs/dbraw/zinc/64/87/73/583648773.db2.gz GOGFIOKERUNRIQ-UHFFFAOYSA-N 0 3 239.340 1.914 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000895784771 583727268 /nfs/dbraw/zinc/72/72/68/583727268.db2.gz LJZRGPNNWGVNRJ-LNSITVRQSA-N 0 3 247.338 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000895784771 583727270 /nfs/dbraw/zinc/72/72/70/583727270.db2.gz LJZRGPNNWGVNRJ-LNSITVRQSA-N 0 3 247.338 1.903 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000858295511 588942964 /nfs/dbraw/zinc/94/29/64/588942964.db2.gz CFTQDZAOOHDEPX-AOOOYVTPSA-N 0 3 237.299 1.261 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897684009 584040361 /nfs/dbraw/zinc/04/03/61/584040361.db2.gz JCLFFDBFUCOINX-MFKMUULPSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897684009 584040362 /nfs/dbraw/zinc/04/03/62/584040362.db2.gz JCLFFDBFUCOINX-MFKMUULPSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc(C[NH2+]C2CC(CCO)C2)c1[O-] ZINC000898008081 584070433 /nfs/dbraw/zinc/07/04/33/584070433.db2.gz LJKNGCJQCHXATF-UHFFFAOYSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]CC2(N)CC2)c([O-])c1 ZINC000902405632 584573323 /nfs/dbraw/zinc/57/33/23/584573323.db2.gz JMHBXZONJBZZPX-JTQLQIEISA-N 0 3 220.316 1.843 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]CC2(N)CC2)c([O-])c1 ZINC000902405633 584573369 /nfs/dbraw/zinc/57/33/69/584573369.db2.gz JMHBXZONJBZZPX-SNVBAGLBSA-N 0 3 220.316 1.843 20 10 BDCDHN CC[C@@H]([NH2+]CC1(N)CC1)c1ccccc1[O-] ZINC000902408624 584575761 /nfs/dbraw/zinc/57/57/61/584575761.db2.gz ZRSDXVQBWMIQRV-LLVKDONJSA-N 0 3 220.316 1.924 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)C2(CO)CC2)c1 ZINC000827903493 584901085 /nfs/dbraw/zinc/90/10/85/584901085.db2.gz ISWRYWNWQULLNP-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)C2(CO)CC2)c1 ZINC000827903493 584901086 /nfs/dbraw/zinc/90/10/86/584901086.db2.gz ISWRYWNWQULLNP-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN C[C@H](CNC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000732268170 584934934 /nfs/dbraw/zinc/93/49/34/584934934.db2.gz DAQDTXAKIUHJCU-SSDOTTSWSA-N 0 3 228.317 1.134 20 10 BDCDHN C[C@H](CNC(=O)C1=CC(=O)CS1)N(C)C ZINC000732268170 584934935 /nfs/dbraw/zinc/93/49/35/584934935.db2.gz DAQDTXAKIUHJCU-SSDOTTSWSA-N 0 3 228.317 1.134 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000838916126 585078168 /nfs/dbraw/zinc/07/81/68/585078168.db2.gz DVFBHNBAXFUJPT-WDEREUQCSA-N 0 3 248.326 1.569 20 10 BDCDHN [NH3+][C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000219836431 585149650 /nfs/dbraw/zinc/14/96/50/585149650.db2.gz IEILJIJOVPAZBY-SNVBAGLBSA-N 0 3 210.252 1.064 20 10 BDCDHN COc1cccc(CN(C)C2CC(O)C2)c1O ZINC000761223326 585412311 /nfs/dbraw/zinc/41/23/11/585412311.db2.gz PIVMRKDBGSZRPY-UHFFFAOYSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000761223326 585412312 /nfs/dbraw/zinc/41/23/12/585412312.db2.gz PIVMRKDBGSZRPY-UHFFFAOYSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc(C[N@@H+](C)C2CC(O)C2)c1[O-] ZINC000761223326 585412313 /nfs/dbraw/zinc/41/23/13/585412313.db2.gz PIVMRKDBGSZRPY-UHFFFAOYSA-N 0 3 237.299 1.356 20 10 BDCDHN [O-]c1cc2c(cc1C[NH+]1CCCC1)[C@@H](O)CO2 ZINC000768437776 585538372 /nfs/dbraw/zinc/53/83/72/585538372.db2.gz GNZPHTSQAHFVRJ-LBPRGKRZSA-N 0 3 235.283 1.414 20 10 BDCDHN COc1cccc(O)c1CN(C)[C@@H]1CCOC1 ZINC000769332228 585553939 /nfs/dbraw/zinc/55/39/39/585553939.db2.gz ZCFGHWNWYNISSB-SNVBAGLBSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@](C)(O)C1 ZINC000769541442 585559004 /nfs/dbraw/zinc/55/90/04/585559004.db2.gz BFILHFLJJYUQEH-ZDUSSCGKSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@](C)(O)C1 ZINC000769541442 585559005 /nfs/dbraw/zinc/55/90/05/585559005.db2.gz BFILHFLJJYUQEH-ZDUSSCGKSA-N 0 3 237.299 1.358 20 10 BDCDHN COC(=O)[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000770504565 585575311 /nfs/dbraw/zinc/57/53/11/585575311.db2.gz JJOJBSOLKFNQQY-JQWIXIFHSA-N 0 3 249.310 1.633 20 10 BDCDHN COC(=O)[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1C ZINC000770504565 585575312 /nfs/dbraw/zinc/57/53/12/585575312.db2.gz JJOJBSOLKFNQQY-JQWIXIFHSA-N 0 3 249.310 1.633 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])[C@@H](C)CN1C ZINC000775987313 585688716 /nfs/dbraw/zinc/68/87/16/585688716.db2.gz VKSQXHBMKHJWEF-RYUDHWBXSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])[C@@H](C)CN1C ZINC000775987313 585688717 /nfs/dbraw/zinc/68/87/17/585688717.db2.gz VKSQXHBMKHJWEF-RYUDHWBXSA-N 0 3 234.343 1.917 20 10 BDCDHN CC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779217792 585747523 /nfs/dbraw/zinc/74/75/23/585747523.db2.gz BPIQVUNCEZLQAY-CYBMUJFWSA-N 0 3 239.290 1.878 20 10 BDCDHN CC[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779217792 585747524 /nfs/dbraw/zinc/74/75/24/585747524.db2.gz BPIQVUNCEZLQAY-CYBMUJFWSA-N 0 3 239.290 1.878 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783735432 585841140 /nfs/dbraw/zinc/84/11/40/585841140.db2.gz QEODIIAWHJBMJX-YGRLFVJLSA-N 0 3 249.310 1.215 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783735432 585841141 /nfs/dbraw/zinc/84/11/41/585841141.db2.gz QEODIIAWHJBMJX-YGRLFVJLSA-N 0 3 249.310 1.215 20 10 BDCDHN COc1ccc(O)c(CN2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783734569 585841237 /nfs/dbraw/zinc/84/12/37/585841237.db2.gz MQUWQRGQFOJVPM-SMDDNHRTSA-N 0 3 249.310 1.215 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783734569 585841238 /nfs/dbraw/zinc/84/12/38/585841238.db2.gz MQUWQRGQFOJVPM-SMDDNHRTSA-N 0 3 249.310 1.215 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783734569 585841239 /nfs/dbraw/zinc/84/12/39/585841239.db2.gz MQUWQRGQFOJVPM-SMDDNHRTSA-N 0 3 249.310 1.215 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788270951 585920079 /nfs/dbraw/zinc/92/00/79/585920079.db2.gz XPABBELVVIWMFU-GXSJLCMTSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788270951 585920080 /nfs/dbraw/zinc/92/00/80/585920080.db2.gz XPABBELVVIWMFU-GXSJLCMTSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)CCCCO ZINC000788268851 585920202 /nfs/dbraw/zinc/92/02/02/585920202.db2.gz LCCTUSTYAABZQM-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)CCCCO ZINC000788268851 585920203 /nfs/dbraw/zinc/92/02/03/585920203.db2.gz LCCTUSTYAABZQM-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN Cc1cccc(CN2CC[C@](F)(CO)C2)c1O ZINC000802661477 586308606 /nfs/dbraw/zinc/30/86/06/586308606.db2.gz QMOUUZNNMQBOKO-CYBMUJFWSA-N 0 3 239.290 1.607 20 10 BDCDHN COc1cccc(C[N@H+](C)[C@H](C)CO)c1[O-] ZINC000809745923 586516465 /nfs/dbraw/zinc/51/64/65/586516465.db2.gz NOSJZYNRDPJJKG-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN COc1cccc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000809745923 586516466 /nfs/dbraw/zinc/51/64/66/586516466.db2.gz NOSJZYNRDPJJKG-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCC[S@](C)=O)c1 ZINC000116919771 589055603 /nfs/dbraw/zinc/05/56/03/589055603.db2.gz ZVEDHOMMCGHSBV-MRXNPFEDSA-N 0 3 241.356 1.559 20 10 BDCDHN C[S@](=O)CCC[NH2+]Cc1ccccc1[O-] ZINC000116919998 589055717 /nfs/dbraw/zinc/05/57/17/589055717.db2.gz ZNNZLGYRWCQFHE-OAHLLOKOSA-N 0 3 227.329 1.250 20 10 BDCDHN CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000812778590 586583879 /nfs/dbraw/zinc/58/38/79/586583879.db2.gz MEBCEUMMSJZUFF-GFCCVEGCSA-N 0 3 239.290 1.877 20 10 BDCDHN CC1(C)[C@H](O)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000812778590 586583880 /nfs/dbraw/zinc/58/38/80/586583880.db2.gz MEBCEUMMSJZUFF-GFCCVEGCSA-N 0 3 239.290 1.877 20 10 BDCDHN CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccccc1[O-] ZINC000812778127 586583936 /nfs/dbraw/zinc/58/39/36/586583936.db2.gz CCSQXMAZSCDBIR-LBPRGKRZSA-N 0 3 221.300 1.737 20 10 BDCDHN CC1(C)[C@@H](O)CC[N@H+]1Cc1ccccc1[O-] ZINC000812778127 586583937 /nfs/dbraw/zinc/58/39/37/586583937.db2.gz CCSQXMAZSCDBIR-LBPRGKRZSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1[O-] ZINC000817942129 586845698 /nfs/dbraw/zinc/84/56/98/586845698.db2.gz XADDSTHUDCLDOS-KOLCDFICSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817942129 586845699 /nfs/dbraw/zinc/84/56/99/586845699.db2.gz XADDSTHUDCLDOS-KOLCDFICSA-N 0 3 238.306 1.934 20 10 BDCDHN [O-]c1cccc2c1[C@@H](N[C@H]1CC[NH2+]C1)CC2 ZINC000817944609 586845879 /nfs/dbraw/zinc/84/58/79/586845879.db2.gz IAOHRXDULMPLMM-QWRGUYRKSA-N 0 3 218.300 1.331 20 10 BDCDHN CCNCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817952810 586848551 /nfs/dbraw/zinc/84/85/51/586848551.db2.gz UFYPZYLYJSGDOK-QMMMGPOBSA-N 0 3 244.285 1.931 20 10 BDCDHN C[C@H]([NH2+]CC1(N)CCC1)c1ccccc1[O-] ZINC000817965575 586854125 /nfs/dbraw/zinc/85/41/25/586854125.db2.gz XWEYINIHASEUJJ-JTQLQIEISA-N 0 3 220.316 1.924 20 10 BDCDHN C[C@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(F)cc1[O-] ZINC000817965931 586854771 /nfs/dbraw/zinc/85/47/71/586854771.db2.gz XCTLLZKVBKZMII-QPUJVOFHSA-N 0 3 238.306 1.919 20 10 BDCDHN CC[C@@H]([NH2+]C[C@H](C)N)c1ccc(F)cc1[O-] ZINC000817974170 586860275 /nfs/dbraw/zinc/86/02/75/586860275.db2.gz ZXGLGKUJQDQNIF-GZMMTYOYSA-N 0 3 226.295 1.919 20 10 BDCDHN Cc1ccc([C@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([O-])c1 ZINC000817977581 586862175 /nfs/dbraw/zinc/86/21/75/586862175.db2.gz KXCIJTQRZCSISJ-PQFRYHKHSA-N 0 3 232.327 1.569 20 10 BDCDHN C[C@@]12COC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000827284725 587375310 /nfs/dbraw/zinc/37/53/10/587375310.db2.gz VWWDKNPTSINGSL-TZMCWYRMSA-N 0 3 233.311 1.861 20 10 BDCDHN C[C@@]12COC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000827284725 587375311 /nfs/dbraw/zinc/37/53/11/587375311.db2.gz VWWDKNPTSINGSL-TZMCWYRMSA-N 0 3 233.311 1.861 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)C2(CO)CC2)cc1C ZINC000827903483 587408873 /nfs/dbraw/zinc/40/88/73/587408873.db2.gz IMFQDKCBPMEYRR-UHFFFAOYSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)C2(CO)CC2)cc1C ZINC000827903483 587408874 /nfs/dbraw/zinc/40/88/74/587408874.db2.gz IMFQDKCBPMEYRR-UHFFFAOYSA-N 0 3 235.327 1.966 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1(CO)CCC1 ZINC000827904042 587409618 /nfs/dbraw/zinc/40/96/18/587409618.db2.gz UKKLRDWJAJBVBY-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1(CO)CCC1 ZINC000827904042 587409620 /nfs/dbraw/zinc/40/96/20/587409620.db2.gz UKKLRDWJAJBVBY-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN C[C@@H](NC1CC1)C(=O)Nc1ccc(N)cc1 ZINC000832243987 587652174 /nfs/dbraw/zinc/65/21/74/587652174.db2.gz CRQIOLQTTDZFAQ-MRVPVSSYSA-N 0 3 219.288 1.348 20 10 BDCDHN CCCN(C)CC(=O)NCCc1ccc(N)cc1 ZINC000832658872 587674486 /nfs/dbraw/zinc/67/44/86/587674486.db2.gz FCBQIEIMAZBCHN-UHFFFAOYSA-N 0 3 249.358 1.269 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000834907311 587770224 /nfs/dbraw/zinc/77/02/24/587770224.db2.gz NOPLOJVVWPJVHD-GARJFASQSA-N 0 3 248.326 1.697 20 10 BDCDHN CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000840824849 587923807 /nfs/dbraw/zinc/92/38/07/587923807.db2.gz QFSQDXWWDBEWHG-XHVZSJERSA-N 0 3 237.299 1.457 20 10 BDCDHN [O-]c1cccc(Cl)c1CN[C@H]1CC[NH2+]C1 ZINC000841044805 587939475 /nfs/dbraw/zinc/93/94/75/587939475.db2.gz INKGFHOXZKRBPV-QMMMGPOBSA-N 0 3 226.707 1.497 20 10 BDCDHN N[C@@H](C[NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000841048559 587940250 /nfs/dbraw/zinc/94/02/50/587940250.db2.gz FDFREPAAMTYVFJ-NSHDSACASA-N 0 3 224.279 1.358 20 10 BDCDHN [NH3+][C@@H](CNCc1cccc(F)c1[O-])C1CC1 ZINC000841048559 587940251 /nfs/dbraw/zinc/94/02/51/587940251.db2.gz FDFREPAAMTYVFJ-NSHDSACASA-N 0 3 224.279 1.358 20 10 BDCDHN C[C@H]1CCNC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841059767 587941419 /nfs/dbraw/zinc/94/14/19/587941419.db2.gz WTTCMAKJPSOOEQ-JOYOIKCWSA-N 0 3 238.306 1.619 20 10 BDCDHN C[C@H]1CC[NH2+]C[C@H]1NCc1cccc(F)c1[O-] ZINC000841059767 587941420 /nfs/dbraw/zinc/94/14/20/587941420.db2.gz WTTCMAKJPSOOEQ-JOYOIKCWSA-N 0 3 238.306 1.619 20 10 BDCDHN CC1(C)[NH2+]CC[C@H]1NCc1cc(F)ccc1[O-] ZINC000841086077 587946078 /nfs/dbraw/zinc/94/60/78/587946078.db2.gz LTIUWEVYQAPQQJ-GFCCVEGCSA-N 0 3 238.306 1.761 20 10 BDCDHN [O-]c1ccccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105312 587946796 /nfs/dbraw/zinc/94/67/96/587946796.db2.gz KFFISEFLZSBNEY-AWEZNQCLSA-N 0 3 232.327 1.720 20 10 BDCDHN C[C@@H](CN)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050858 588077146 /nfs/dbraw/zinc/07/71/46/588077146.db2.gz AIQJFOAFPVCXKF-ZETCQYMHSA-N 0 3 246.713 1.964 20 10 BDCDHN C[C@@H](CN)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050858 588077147 /nfs/dbraw/zinc/07/71/47/588077147.db2.gz AIQJFOAFPVCXKF-ZETCQYMHSA-N 0 3 246.713 1.964 20 10 BDCDHN C[C@]1(CN)CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843116306 588082673 /nfs/dbraw/zinc/08/26/73/588082673.db2.gz KIPXASARFMCLMW-CYBMUJFWSA-N 0 3 238.306 1.702 20 10 BDCDHN C[C@]1(CN)CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843116306 588082674 /nfs/dbraw/zinc/08/26/74/588082674.db2.gz KIPXASARFMCLMW-CYBMUJFWSA-N 0 3 238.306 1.702 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](CO)CCF)c1 ZINC000846101194 588256732 /nfs/dbraw/zinc/25/67/32/588256732.db2.gz RAJOMMPDFMHSCT-SNVBAGLBSA-N 0 3 243.278 1.211 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)CO)c1[O-] ZINC000846148188 588258764 /nfs/dbraw/zinc/25/87/64/588258764.db2.gz OZECMJFTQYRFQV-DTWKUNHWSA-N 0 3 225.288 1.432 20 10 BDCDHN C[C@H]([NH2+][C@H](CO)CCF)c1cc(F)ccc1[O-] ZINC000846208312 588260045 /nfs/dbraw/zinc/26/00/45/588260045.db2.gz IGFCZLBSEFVSLV-WPRPVWTQSA-N 0 3 245.269 1.902 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1[O-] ZINC000848904826 588418271 /nfs/dbraw/zinc/41/82/71/588418271.db2.gz BRRWKBQBVHTEFD-DZGCQCFKSA-N 0 3 247.338 1.769 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1[O-] ZINC000848904826 588418272 /nfs/dbraw/zinc/41/82/72/588418272.db2.gz BRRWKBQBVHTEFD-DZGCQCFKSA-N 0 3 247.338 1.769 20 10 BDCDHN CCc1cccc(C[N@H+](C)C[C@H](C)O)c1[O-] ZINC000848902968 588418479 /nfs/dbraw/zinc/41/84/79/588418479.db2.gz VWKULVCQGJIOBM-JTQLQIEISA-N 0 3 223.316 1.767 20 10 BDCDHN CCc1cccc(C[N@@H+](C)C[C@H](C)O)c1[O-] ZINC000848902968 588418481 /nfs/dbraw/zinc/41/84/81/588418481.db2.gz VWKULVCQGJIOBM-JTQLQIEISA-N 0 3 223.316 1.767 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000848905979 588418828 /nfs/dbraw/zinc/41/88/28/588418828.db2.gz OTRSUNDXEVTQFS-MFKMUULPSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000848905979 588418830 /nfs/dbraw/zinc/41/88/30/588418830.db2.gz OTRSUNDXEVTQFS-MFKMUULPSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1[O-] ZINC000848904827 588418975 /nfs/dbraw/zinc/41/89/75/588418975.db2.gz BRRWKBQBVHTEFD-HIFRSBDPSA-N 0 3 247.338 1.769 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1[O-] ZINC000848904827 588418977 /nfs/dbraw/zinc/41/89/77/588418977.db2.gz BRRWKBQBVHTEFD-HIFRSBDPSA-N 0 3 247.338 1.769 20 10 BDCDHN CC[C@@H](COC)[NH2+]Cc1c([O-])cccc1OC ZINC000850151004 588521661 /nfs/dbraw/zinc/52/16/61/588521661.db2.gz QECKFCAABPUUKO-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN CN(C)c1ccc(CNC/C=C/CO)cc1F ZINC000850357210 588538567 /nfs/dbraw/zinc/53/85/67/588538567.db2.gz BBVJNSODNRTLCL-ONEGZZNKSA-N 0 3 238.306 1.530 20 10 BDCDHN CC[C@H](C(=O)NCCc1ccc(N)cc1)N(C)C ZINC000863585376 589302424 /nfs/dbraw/zinc/30/24/24/589302424.db2.gz XCNSPBIBKQLJNK-CYBMUJFWSA-N 0 3 249.358 1.268 20 10 BDCDHN C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1[O-] ZINC000864454070 589365943 /nfs/dbraw/zinc/36/59/43/589365943.db2.gz STLFRFMULZNUIT-WPRPVWTQSA-N 0 3 219.288 1.415 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000872265839 589902968 /nfs/dbraw/zinc/90/29/68/589902968.db2.gz MJIOLOQDBJGKHZ-BETUJISGSA-N 0 3 233.311 1.779 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000872265839 589902970 /nfs/dbraw/zinc/90/29/70/589902970.db2.gz MJIOLOQDBJGKHZ-BETUJISGSA-N 0 3 233.311 1.779 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2COCCO2)c1[O-] ZINC000124719458 590076361 /nfs/dbraw/zinc/07/63/61/590076361.db2.gz NWYFNYOQBQJJML-LBPRGKRZSA-N 0 3 237.299 1.206 20 10 BDCDHN Cc1cccc(C[NH2+]CCn2cccn2)c1[O-] ZINC000124725984 590079639 /nfs/dbraw/zinc/07/96/39/590079639.db2.gz LYDCBXAWBCZRGT-UHFFFAOYSA-N 0 3 231.299 1.687 20 10 BDCDHN COCC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876564199 590216559 /nfs/dbraw/zinc/21/65/59/590216559.db2.gz JQNMNLNRBPPFNT-UHFFFAOYSA-N 0 3 209.289 1.779 20 10 BDCDHN COCC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876564199 590216561 /nfs/dbraw/zinc/21/65/61/590216561.db2.gz JQNMNLNRBPPFNT-UHFFFAOYSA-N 0 3 209.289 1.779 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000876660526 590227364 /nfs/dbraw/zinc/22/73/64/590227364.db2.gz UVSHJKDLXDFSOZ-LLVKDONJSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CO)C1 ZINC000876660526 590227365 /nfs/dbraw/zinc/22/73/65/590227365.db2.gz UVSHJKDLXDFSOZ-LLVKDONJSA-N 0 3 221.300 1.515 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1O ZINC000876814350 590246157 /nfs/dbraw/zinc/24/61/57/590246157.db2.gz DZQCRRINBWYFHW-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1O ZINC000876814350 590246158 /nfs/dbraw/zinc/24/61/58/590246158.db2.gz DZQCRRINBWYFHW-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCC(=O)N(C)C ZINC000876989905 590265567 /nfs/dbraw/zinc/26/55/67/590265567.db2.gz JZZMNGBGILMMJE-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN Cc1ccc(C[NH2+]CCCn2cncn2)c([O-])c1 ZINC000877012046 590268749 /nfs/dbraw/zinc/26/87/49/590268749.db2.gz NWMMMLIYJPIPHF-UHFFFAOYSA-N 0 3 246.314 1.472 20 10 BDCDHN CC[C@@H](CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877054947 590275234 /nfs/dbraw/zinc/27/52/34/590275234.db2.gz LWMYHYBLRGJRSZ-LBPRGKRZSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)c([O-])c1 ZINC000877057453 590275789 /nfs/dbraw/zinc/27/57/89/590275789.db2.gz FCUHILBRTHWRCN-QWRGUYRKSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](CCO)C2CC2)c([O-])c1 ZINC000877058789 590276379 /nfs/dbraw/zinc/27/63/79/590276379.db2.gz GHOJODXPCKLMLR-ZDUSSCGKSA-N 0 3 235.327 1.951 20 10 BDCDHN CCCN[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077791 590279351 /nfs/dbraw/zinc/27/93/51/590279351.db2.gz USFPRZXMRQFWMK-JTQLQIEISA-N 0 3 235.331 1.620 20 10 BDCDHN CN(C(=O)[C@H]1NCC1(C)C)c1ccc(N)cc1 ZINC000877077623 590279372 /nfs/dbraw/zinc/27/93/72/590279372.db2.gz OZHRDYWUQSXPSH-LLVKDONJSA-N 0 3 233.315 1.230 20 10 BDCDHN Cc1ccc(C[NH2+][C@@]2(C)CCOC2)c([O-])c1 ZINC000877121186 590288890 /nfs/dbraw/zinc/28/88/90/590288890.db2.gz PXYIFXMJMUZTGI-ZDUSSCGKSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c([O-])c1 ZINC000877183261 590297904 /nfs/dbraw/zinc/29/79/04/590297904.db2.gz BECMAKMANVUXGM-NWDGAFQWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c([O-])c1 ZINC000877183261 590297906 /nfs/dbraw/zinc/29/79/06/590297906.db2.gz BECMAKMANVUXGM-NWDGAFQWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c([O-])c1 ZINC000877183260 590297969 /nfs/dbraw/zinc/29/79/69/590297969.db2.gz BECMAKMANVUXGM-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c([O-])c1 ZINC000877183260 590297971 /nfs/dbraw/zinc/29/79/71/590297971.db2.gz BECMAKMANVUXGM-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+](C)C[C@H](C)O)c([O-])c1 ZINC000877320678 590314936 /nfs/dbraw/zinc/31/49/36/590314936.db2.gz QEBVBNOJXLNNDX-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc(C[N@H+](C)C[C@H](C)O)c([O-])c1 ZINC000877320678 590314939 /nfs/dbraw/zinc/31/49/39/590314939.db2.gz QEBVBNOJXLNNDX-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000877430384 590325430 /nfs/dbraw/zinc/32/54/30/590325430.db2.gz HHFMRSIEBWHOAI-OLZOCXBDSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC000877434746 590326870 /nfs/dbraw/zinc/32/68/70/590326870.db2.gz TZKCBRDXGPDEQK-DGCLKSJQSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H](C)C2)c([O-])c1 ZINC000877434746 590326872 /nfs/dbraw/zinc/32/68/72/590326872.db2.gz TZKCBRDXGPDEQK-DGCLKSJQSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC000877434748 590327320 /nfs/dbraw/zinc/32/73/20/590327320.db2.gz TZKCBRDXGPDEQK-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](O)[C@H](C)C2)c([O-])c1 ZINC000877434748 590327322 /nfs/dbraw/zinc/32/73/22/590327322.db2.gz TZKCBRDXGPDEQK-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000877433986 590327354 /nfs/dbraw/zinc/32/73/54/590327354.db2.gz LCLVUBDQFLSKHU-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)[C@H](C)C1 ZINC000877433986 590327355 /nfs/dbraw/zinc/32/73/55/590327355.db2.gz LCLVUBDQFLSKHU-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+](C)CCCCO)c([O-])c1 ZINC000877471763 590335361 /nfs/dbraw/zinc/33/53/61/590335361.db2.gz ZTOMECZLEMMWHG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CCCCO)c([O-])c1 ZINC000877471763 590335363 /nfs/dbraw/zinc/33/53/63/590335363.db2.gz ZTOMECZLEMMWHG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)c([O-])c1 ZINC000877547292 590352928 /nfs/dbraw/zinc/35/29/28/590352928.db2.gz SIWYJZDPLAGJLY-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)c([O-])c1 ZINC000877547292 590352929 /nfs/dbraw/zinc/35/29/29/590352929.db2.gz SIWYJZDPLAGJLY-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc([O-])c1C[NH+]1CC2(C1)CCOC2 ZINC000877554843 590356906 /nfs/dbraw/zinc/35/69/06/590356906.db2.gz OXRXPACFFSZREG-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1ccc(C[NH+]2CC3(C2)CCOC3)c([O-])c1 ZINC000877554594 590356937 /nfs/dbraw/zinc/35/69/37/590356937.db2.gz LTNOFRICXYNZDE-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN CC[C@@H]([NH2+]Cc1c(C)cccc1[O-])C(=O)NC ZINC000877575673 590363829 /nfs/dbraw/zinc/36/38/29/590363829.db2.gz BALJAZZENQENEN-LLVKDONJSA-N 0 3 236.315 1.315 20 10 BDCDHN CO[C@@](C)(CO)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877616515 590374794 /nfs/dbraw/zinc/37/47/94/590374794.db2.gz CRSUFKCAYPMCPU-CYBMUJFWSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000877633463 590379140 /nfs/dbraw/zinc/37/91/40/590379140.db2.gz MBNLFCOISSFJQW-NSHDSACASA-N 0 3 234.299 1.069 20 10 BDCDHN CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648892 590842332 /nfs/dbraw/zinc/84/23/32/590842332.db2.gz FHGUFFBAWZWCBM-RNCFNFMXSA-N 0 3 237.299 1.383 20 10 BDCDHN [NH3+]C[C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000128320179 590979405 /nfs/dbraw/zinc/97/94/05/590979405.db2.gz SIHJNYDOUYHRCI-SECBINFHSA-N 0 3 240.734 1.826 20 10 BDCDHN CCNC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000135719760 592033537 /nfs/dbraw/zinc/03/35/37/592033537.db2.gz YDHYUKLZLLBUBD-JTQLQIEISA-N 0 3 236.315 1.569 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCCO1 ZINC000725841687 632765179 /nfs/dbraw/zinc/76/51/79/632765179.db2.gz UXZFHNPANNSFDD-JTQLQIEISA-N 0 3 237.299 1.669 20 10 BDCDHN C[C@@]1(C[NH2+]Cc2ccccc2[O-])CCOC1 ZINC000309824823 633786342 /nfs/dbraw/zinc/78/63/42/633786342.db2.gz XCXHKFQJVGZECH-ZDUSSCGKSA-N 0 3 221.300 1.908 20 10 BDCDHN C[C@]1(C[NH2+]Cc2ccccc2[O-])CCOC1 ZINC000309824821 633786379 /nfs/dbraw/zinc/78/63/79/633786379.db2.gz XCXHKFQJVGZECH-CYBMUJFWSA-N 0 3 221.300 1.908 20 10 BDCDHN CN(CC[NH3+])Cc1cc(Cl)ccc1[O-] ZINC000054416790 636636698 /nfs/dbraw/zinc/63/66/98/636636698.db2.gz ZEEMAHYOKCHQSJ-UHFFFAOYSA-N 0 3 214.696 1.436 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c([O-])c1 ZINC000323592505 637092438 /nfs/dbraw/zinc/09/24/38/637092438.db2.gz XNSYNCIFKLTXEW-NDMJEZRESA-N 0 3 237.299 1.111 20 10 BDCDHN CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000167879192 640759689 /nfs/dbraw/zinc/75/96/89/640759689.db2.gz MASLDVGJXUUWIF-JTQLQIEISA-N 0 3 236.315 1.395 20 10 BDCDHN C[S@](=O)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610844 640779388 /nfs/dbraw/zinc/77/93/88/640779388.db2.gz QENBEQZXFQCHPN-INIZCTEOSA-N 0 3 245.319 1.390 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1[O-] ZINC000087783051 641036979 /nfs/dbraw/zinc/03/69/79/641036979.db2.gz SJLIJQFCALURPS-NXEZZACHSA-N 0 3 207.273 1.832 20 10 BDCDHN Cn1ccc(CC[NH2+]Cc2ccccc2[O-])n1 ZINC000230880441 641109283 /nfs/dbraw/zinc/10/92/83/641109283.db2.gz POGQVHCOTZDSPJ-UHFFFAOYSA-N 0 3 231.299 1.458 20 10 BDCDHN CCCN(Cc1ccccc1O)[C@@H](C)C(N)=O ZINC000174372646 641273033 /nfs/dbraw/zinc/27/30/33/641273033.db2.gz SDGUSFQNGNJLMU-JTQLQIEISA-N 0 3 236.315 1.478 20 10 BDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H](C)C(N)=O ZINC000174372646 641273038 /nfs/dbraw/zinc/27/30/38/641273038.db2.gz SDGUSFQNGNJLMU-JTQLQIEISA-N 0 3 236.315 1.478 20 10 BDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H](C)C(N)=O ZINC000174372646 641273041 /nfs/dbraw/zinc/27/30/41/641273041.db2.gz SDGUSFQNGNJLMU-JTQLQIEISA-N 0 3 236.315 1.478 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914433009 641702309 /nfs/dbraw/zinc/70/23/09/641702309.db2.gz IZYFJCKAVVQUOW-CHWSQXEVSA-N 0 3 233.311 1.907 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@@H]1O ZINC000305745872 642686932 /nfs/dbraw/zinc/68/69/32/642686932.db2.gz OXXVDSISGAZFLD-JSGCOSHPSA-N 0 3 235.327 1.985 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@@H]1O ZINC000305745872 642686938 /nfs/dbraw/zinc/68/69/38/642686938.db2.gz OXXVDSISGAZFLD-JSGCOSHPSA-N 0 3 235.327 1.985 20 10 BDCDHN CC(=O)OC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179576056 642731171 /nfs/dbraw/zinc/73/11/71/642731171.db2.gz LIDMDNIEUVJATH-UHFFFAOYSA-N 0 3 249.310 1.920 20 10 BDCDHN CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1[O-] ZINC000824637836 645057259 /nfs/dbraw/zinc/05/72/59/645057259.db2.gz ZYVTXMJWVWEXKQ-CHWSQXEVSA-N 0 3 235.327 1.985 20 10 BDCDHN CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccccc1[O-] ZINC000824637836 645057263 /nfs/dbraw/zinc/05/72/63/645057263.db2.gz ZYVTXMJWVWEXKQ-CHWSQXEVSA-N 0 3 235.327 1.985 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCCCO ZINC000381557359 710654730 /nfs/dbraw/zinc/65/47/30/710654730.db2.gz PNHOCISHCHMGKO-UHFFFAOYSA-N 0 3 225.288 1.263 20 10 BDCDHN COCC(COC)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000388444261 711061037 /nfs/dbraw/zinc/06/10/37/711061037.db2.gz URZVLQJXSNRQHY-JTQLQIEISA-N 0 3 239.315 1.704 20 10 BDCDHN CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000702513507 712054250 /nfs/dbraw/zinc/05/42/50/712054250.db2.gz HVTGDXRGRZUGOZ-ZWNOBZJWSA-N 0 3 239.315 1.440 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccccc1[O-] ZINC000707764254 712177843 /nfs/dbraw/zinc/17/78/43/712177843.db2.gz ZUKHDPDGGBZLLL-PWSUYJOCSA-N 0 3 248.326 1.664 20 10 BDCDHN CCN1CC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000712583748 712434218 /nfs/dbraw/zinc/43/42/18/712434218.db2.gz VQEXZCKVBMYMJS-LBPRGKRZSA-N 0 3 238.306 1.715 20 10 BDCDHN C[C@H]([NH2+]C/C=C\CO)c1ccccc1[O-] ZINC000717533038 712660502 /nfs/dbraw/zinc/66/05/02/712660502.db2.gz MAJPWVZJDWTZEC-LWTINBJPSA-N 0 3 207.273 1.591 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000720908040 712877555 /nfs/dbraw/zinc/87/75/55/712877555.db2.gz TVRWWJFQSJCONN-ATZCPNFKSA-N 0 3 239.290 1.953 20 10 BDCDHN COC[C@@H]1CCCN1Cc1ccc(O)c(O)c1 ZINC001203875363 966807020 /nfs/dbraw/zinc/80/70/20/966807020.db2.gz MQQUJIMOQGOZRL-NSHDSACASA-N 0 3 237.299 1.709 20 10 BDCDHN CC(C)[N@H+](CCCO)Cc1ccc(O)cc1[O-] ZINC001204275675 978919642 /nfs/dbraw/zinc/91/96/42/978919642.db2.gz YCVQCSSAQCDNNX-UHFFFAOYSA-N 0 3 239.315 1.691 20 10 BDCDHN CC(C)[N@@H+](CCCO)Cc1ccc(O)cc1[O-] ZINC001204275675 978919645 /nfs/dbraw/zinc/91/96/45/978919645.db2.gz YCVQCSSAQCDNNX-UHFFFAOYSA-N 0 3 239.315 1.691 20 10 BDCDHN COc1cc(C)c(C[N@H+](C)CCO)c([O-])c1 ZINC001236257286 979477730 /nfs/dbraw/zinc/47/77/30/979477730.db2.gz YZKGPDDXUFDQSI-UHFFFAOYSA-N 0 3 225.288 1.133 20 10 BDCDHN COc1cc(C)c(C[N@@H+](C)CCO)c([O-])c1 ZINC001236257286 979477735 /nfs/dbraw/zinc/47/77/35/979477735.db2.gz YZKGPDDXUFDQSI-UHFFFAOYSA-N 0 3 225.288 1.133 20 10 BDCDHN CN(C)c1ccc(CN2CCNC2)c(Cl)c1 ZINC001236844908 979757903 /nfs/dbraw/zinc/75/79/03/979757903.db2.gz XCRIVCSUXHHPLZ-UHFFFAOYSA-N 0 3 239.750 1.769 20 10 BDCDHN Cc1cc(F)cc(CN2CCC(O)CC2)c1O ZINC001238055618 980133844 /nfs/dbraw/zinc/13/38/44/980133844.db2.gz APXLJMBBCXBOEO-UHFFFAOYSA-N 0 3 239.290 1.796 20 10 BDCDHN COC(CN(C)Cc1cc(C)ccc1O)OC ZINC001140623601 960466948 /nfs/dbraw/zinc/46/69/48/960466948.db2.gz XUCFLIIKJZKZRL-UHFFFAOYSA-N 0 3 239.315 1.751 20 10 BDCDHN COc1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000092456043 960807072 /nfs/dbraw/zinc/80/70/72/960807072.db2.gz FVNGCKULDKGXFS-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000092456043 960807079 /nfs/dbraw/zinc/80/70/79/960807079.db2.gz FVNGCKULDKGXFS-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN CC(C)[N@H+](CCCO)Cc1ccccc1[O-] ZINC001203555619 966690736 /nfs/dbraw/zinc/69/07/36/966690736.db2.gz ARPHFRUZLJDZKX-UHFFFAOYSA-N 0 3 223.316 1.985 20 10 BDCDHN CC(C)[N@@H+](CCCO)Cc1ccccc1[O-] ZINC001203555619 966690742 /nfs/dbraw/zinc/69/07/42/966690742.db2.gz ARPHFRUZLJDZKX-UHFFFAOYSA-N 0 3 223.316 1.985 20 10 BDCDHN COc1ccc(C[NH+]2CC=CC2)c([O-])c1 ZINC001203620857 966708354 /nfs/dbraw/zinc/70/83/54/966708354.db2.gz JZKFKUYMJIXWNT-UHFFFAOYSA-N 0 3 205.257 1.773 20 10 BDCDHN Oc1ccc(CN2C[C@@H]3C[C@@H]3C2)cc1O ZINC001203874866 966804876 /nfs/dbraw/zinc/80/48/76/966804876.db2.gz DRJBDQRCOZAORU-AOOOYVTPSA-N 0 3 205.257 1.550 20 10 BDCDHN Oc1ccc(CN2CC[C@@H]3COC[C@@H]3C2)cc1O ZINC001203875087 966806510 /nfs/dbraw/zinc/80/65/10/966806510.db2.gz GYXMVUNOPATOFI-NEPJUHHUSA-N 0 3 249.310 1.566 20 10 BDCDHN Oc1ccc(CN2CC[C@H]3OCC[C@@H]3C2)cc1O ZINC001203880553 966809583 /nfs/dbraw/zinc/80/95/83/966809583.db2.gz VLUQTLYETIABGL-BXUZGUMPSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001203558491 967007842 /nfs/dbraw/zinc/00/78/42/967007842.db2.gz KKGYAFALUHXWPJ-WCQYABFASA-N 0 3 219.284 1.613 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001203558491 967007848 /nfs/dbraw/zinc/00/78/48/967007848.db2.gz KKGYAFALUHXWPJ-WCQYABFASA-N 0 3 219.284 1.613 20 10 BDCDHN Cc1cc(F)cc(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204843440 967195652 /nfs/dbraw/zinc/19/56/52/967195652.db2.gz PIERCUWFOLHKST-MNOVXSKESA-N 0 3 242.269 1.321 20 10 BDCDHN C[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001251963343 968402097 /nfs/dbraw/zinc/40/20/97/968402097.db2.gz ZJSNUINICONISV-VIFPVBQESA-N 0 3 207.273 1.131 20 10 BDCDHN C[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001251963343 968402098 /nfs/dbraw/zinc/40/20/98/968402098.db2.gz ZJSNUINICONISV-VIFPVBQESA-N 0 3 207.273 1.131 20 10 BDCDHN [O-]c1cccc2c1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC001207887402 968913570 /nfs/dbraw/zinc/91/35/70/968913570.db2.gz HZTTZDIDTFYWLB-LBPRGKRZSA-N 0 3 233.311 1.929 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+](C[C@@H]1CCCO1)CC2 ZINC001207887402 968913577 /nfs/dbraw/zinc/91/35/77/968913577.db2.gz HZTTZDIDTFYWLB-LBPRGKRZSA-N 0 3 233.311 1.929 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+](C1CCOCC1)CC2 ZINC001255044236 969864989 /nfs/dbraw/zinc/86/49/89/969864989.db2.gz OHQLGUBCHYRQHM-UHFFFAOYSA-N 0 3 233.311 1.929 20 10 BDCDHN [O-]c1cccc2c1C[N@H+](C1CCOCC1)CC2 ZINC001255044236 969864993 /nfs/dbraw/zinc/86/49/93/969864993.db2.gz OHQLGUBCHYRQHM-UHFFFAOYSA-N 0 3 233.311 1.929 20 10 BDCDHN CN1CCC[C@@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001255493614 970249575 /nfs/dbraw/zinc/24/95/75/970249575.db2.gz ZUSDHXNSMUDEFW-CYBMUJFWSA-N 0 3 246.354 1.845 20 10 BDCDHN CN1CCC[C@@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001255493614 970249585 /nfs/dbraw/zinc/24/95/85/970249585.db2.gz ZUSDHXNSMUDEFW-CYBMUJFWSA-N 0 3 246.354 1.845 20 10 BDCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000401968298 970751910 /nfs/dbraw/zinc/75/19/10/970751910.db2.gz IBLUXNBKZIKOMC-KOLCDFICSA-N 0 3 207.273 1.659 20 10 BDCDHN CCN(Cc1cc(O)c(O)c(O)c1)C1CC1 ZINC001233010114 978405786 /nfs/dbraw/zinc/40/57/86/978405786.db2.gz LBUIRDPJXGTCBE-UHFFFAOYSA-N 0 3 223.272 1.788 20 10 BDCDHN Nc1ccc(CN[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001337838789 978524575 /nfs/dbraw/zinc/52/45/75/978524575.db2.gz UKGHGXWNTFCMTD-GFCCVEGCSA-N 0 3 245.326 1.122 20 10 BDCDHN Nc1ccc(CN[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001337838790 978524703 /nfs/dbraw/zinc/52/47/03/978524703.db2.gz UKGHGXWNTFCMTD-LBPRGKRZSA-N 0 3 245.326 1.122 20 10 BDCDHN COC[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276995 978927794 /nfs/dbraw/zinc/92/77/94/978927794.db2.gz VEZNCNICXRODHX-JTQLQIEISA-N 0 3 237.299 1.566 20 10 BDCDHN COC[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276995 978927805 /nfs/dbraw/zinc/92/78/05/978927805.db2.gz VEZNCNICXRODHX-JTQLQIEISA-N 0 3 237.299 1.566 20 10 BDCDHN [O-]c1cccc2c1C[N@H+](CCCCCO)CC2 ZINC001236072571 979361096 /nfs/dbraw/zinc/36/10/96/979361096.db2.gz KBEDAMADYAUMFL-UHFFFAOYSA-N 0 3 235.327 1.913 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+](CCCCCO)CC2 ZINC001236072571 979361102 /nfs/dbraw/zinc/36/11/02/979361102.db2.gz KBEDAMADYAUMFL-UHFFFAOYSA-N 0 3 235.327 1.913 20 10 BDCDHN CCc1ccc(CN2CC(C)(CO)C2)c(O)c1 ZINC001236782838 979727235 /nfs/dbraw/zinc/72/72/35/979727235.db2.gz FNOFKKZHRDHONA-UHFFFAOYSA-N 0 3 235.327 1.769 20 10 BDCDHN CCOc1ccc(CN2CC(CO)C2)c(O)c1 ZINC001237042505 979808403 /nfs/dbraw/zinc/80/84/03/979808403.db2.gz XDPOXZLYASLZRU-UHFFFAOYSA-N 0 3 237.299 1.215 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H]1CO ZINC001237484873 979909463 /nfs/dbraw/zinc/90/94/63/979909463.db2.gz JFYQMRCHCCMSHF-NSHDSACASA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H]1CO ZINC001237484873 979909471 /nfs/dbraw/zinc/90/94/71/979909471.db2.gz JFYQMRCHCCMSHF-NSHDSACASA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC001237484515 979910577 /nfs/dbraw/zinc/91/05/77/979910577.db2.gz DTAPKLIHNAOTMO-MNOVXSKESA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC001237484515 979910587 /nfs/dbraw/zinc/91/05/87/979910587.db2.gz DTAPKLIHNAOTMO-MNOVXSKESA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC001238064140 980133206 /nfs/dbraw/zinc/13/32/06/980133206.db2.gz OPLMNCFPFXMNQL-LBPRGKRZSA-N 0 3 239.290 1.796 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC001238064140 980133215 /nfs/dbraw/zinc/13/32/15/980133215.db2.gz OPLMNCFPFXMNQL-LBPRGKRZSA-N 0 3 239.290 1.796 20 10 BDCDHN CC[NH2+][C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC001354863994 983377670 /nfs/dbraw/zinc/37/76/70/983377670.db2.gz BETCELXGJUHWHT-QMMMGPOBSA-N 0 3 240.278 1.146 20 10 BDCDHN [O-]c1cccc2c1C[N@H+](C[C@H]1CCOC1)CC2 ZINC001202512929 983838968 /nfs/dbraw/zinc/83/89/68/983838968.db2.gz LOBXRAVYOXCLDB-LLVKDONJSA-N 0 3 233.311 1.787 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+](C[C@H]1CCOC1)CC2 ZINC001202512929 983838969 /nfs/dbraw/zinc/83/89/69/983838969.db2.gz LOBXRAVYOXCLDB-LLVKDONJSA-N 0 3 233.311 1.787 20 10 BDCDHN Cc1ccc(O)c(CN2CC3(CCN3C)C2)c1 ZINC001275312014 984535136 /nfs/dbraw/zinc/53/51/36/984535136.db2.gz YPIZTOZKACTGLM-UHFFFAOYSA-N 0 3 232.327 1.591 20 10 BDCDHN C[NH2+]CCCNCc1cc(F)cc(F)c1[O-] ZINC001578691569 985292765 /nfs/dbraw/zinc/29/27/65/985292765.db2.gz QHPFZQJCFOEHEX-UHFFFAOYSA-N 0 3 230.258 1.370 20 10 BDCDHN CN1CC2(C1)CN(Cc1cc(F)ccc1O)C2 ZINC001140056206 991508978 /nfs/dbraw/zinc/50/89/78/991508978.db2.gz MDBMAVXKFYYNOS-UHFFFAOYSA-N 0 3 236.290 1.279 20 10 BDCDHN CO[C@@H](C)C1C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC001140060234 991511415 /nfs/dbraw/zinc/51/14/15/991511415.db2.gz QDZGPIAACOJUNB-VIFPVBQESA-N 0 3 239.290 1.998 20 10 BDCDHN COC(=O)C1CC([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC001560970680 991672159 /nfs/dbraw/zinc/67/21/59/991672159.db2.gz FGHYGEYLPRJURY-WHXUTIOJSA-N 0 3 249.310 1.994 20 10 BDCDHN Cc1cc(C[NH2+]Cc2cc(F)ccc2[O-])n(C)n1 ZINC000284383756 178023999 /nfs/dbraw/zinc/02/39/99/178023999.db2.gz ONZGDHSXLAXBLF-UHFFFAOYSA-N 0 3 249.289 1.863 20 10 BDCDHN CC(C)[C@@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297527032 398205738 /nfs/dbraw/zinc/20/57/38/398205738.db2.gz DJYNSFJEIMFFDT-NWDGAFQWSA-N 0 3 235.327 1.986 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@](C)(O)C2)cc1C ZINC000180189386 178195754 /nfs/dbraw/zinc/19/57/54/178195754.db2.gz CODGJUKULRVKEF-CQSZACIVSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@](C)(O)C2)cc1C ZINC000180189386 178195759 /nfs/dbraw/zinc/19/57/59/178195759.db2.gz CODGJUKULRVKEF-CQSZACIVSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc(O)c(CN2CCNC(=O)CC2)cc1C ZINC000044780978 178195881 /nfs/dbraw/zinc/19/58/81/178195881.db2.gz OHELJZFTDFCCBN-UHFFFAOYSA-N 0 3 248.326 1.331 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000228791588 398341742 /nfs/dbraw/zinc/34/17/42/398341742.db2.gz MJQPSMBSCAOCDA-GMSGAONNSA-N 0 3 249.232 1.966 20 10 BDCDHN Cc1cccc(C[N@@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000162817914 179068308 /nfs/dbraw/zinc/06/83/08/179068308.db2.gz LPYVVNJJZMJZHZ-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc(C[N@H+](C)[C@@H]2CCOC2)c1[O-] ZINC000162817914 179068310 /nfs/dbraw/zinc/06/83/10/179068310.db2.gz LPYVVNJJZMJZHZ-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000180633995 179082878 /nfs/dbraw/zinc/08/28/78/179082878.db2.gz CTPMXOPPLXSWTN-CYBMUJFWSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000180633995 179082882 /nfs/dbraw/zinc/08/28/82/179082882.db2.gz CTPMXOPPLXSWTN-CYBMUJFWSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000180634017 179082925 /nfs/dbraw/zinc/08/29/25/179082925.db2.gz CTPMXOPPLXSWTN-ZDUSSCGKSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000180634017 179082927 /nfs/dbraw/zinc/08/29/27/179082927.db2.gz CTPMXOPPLXSWTN-ZDUSSCGKSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[NH2+]CCN2CCCC2)c1[O-] ZINC000127870014 179091989 /nfs/dbraw/zinc/09/19/89/179091989.db2.gz GWIREPOSHRKGNA-UHFFFAOYSA-N 0 3 234.343 1.886 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1[O-] ZINC000271905205 179097140 /nfs/dbraw/zinc/09/71/40/179097140.db2.gz WMVLIPZLPGIOJP-LLVKDONJSA-N 0 3 234.299 1.021 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2CCCOC2)c1[O-] ZINC000162860213 179101918 /nfs/dbraw/zinc/10/19/18/179101918.db2.gz NLFRHSVIMZCJIZ-LBPRGKRZSA-N 0 3 221.300 1.969 20 10 BDCDHN Cn1cc(C[NH2+][C@H]2CCc3cccc([O-])c32)cn1 ZINC000295836007 188051218 /nfs/dbraw/zinc/05/12/18/188051218.db2.gz FHRHUNZCSPCBHF-LBPRGKRZSA-N 0 3 243.310 1.903 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCCCO ZINC000194530711 183052392 /nfs/dbraw/zinc/05/23/92/183052392.db2.gz TWUIMVXSCZVOHI-UHFFFAOYSA-N 0 3 213.252 1.393 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](CO)C1 ZINC000128551773 183124602 /nfs/dbraw/zinc/12/46/02/183124602.db2.gz AHJKDMGXUJONRF-SNVBAGLBSA-N 0 3 207.273 1.206 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000128551773 183124604 /nfs/dbraw/zinc/12/46/04/183124604.db2.gz AHJKDMGXUJONRF-SNVBAGLBSA-N 0 3 207.273 1.206 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCC1(O)CCC1 ZINC000285070770 183274739 /nfs/dbraw/zinc/27/47/39/183274739.db2.gz LYPCHCOWZUXLII-UHFFFAOYSA-N 0 3 239.290 1.926 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000294231193 183302426 /nfs/dbraw/zinc/30/24/26/183302426.db2.gz ZHWQKDQCQYOXFT-GFCCVEGCSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000294231193 183302427 /nfs/dbraw/zinc/30/24/27/183302427.db2.gz ZHWQKDQCQYOXFT-GFCCVEGCSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCOCC(F)F ZINC000190902020 183303004 /nfs/dbraw/zinc/30/30/04/183303004.db2.gz KAHKQKAYJWAZBW-UHFFFAOYSA-N 0 3 231.242 1.764 20 10 BDCDHN COC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000111236469 383843823 /nfs/dbraw/zinc/84/38/23/383843823.db2.gz WVKPUFGAKURXDI-UHFFFAOYSA-N 0 3 223.272 1.387 20 10 BDCDHN COC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000111236469 383843840 /nfs/dbraw/zinc/84/38/40/383843840.db2.gz WVKPUFGAKURXDI-UHFFFAOYSA-N 0 3 223.272 1.387 20 10 BDCDHN CC[C@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296224271 383978824 /nfs/dbraw/zinc/97/88/24/383978824.db2.gz ZXIAQPFFUPNMQR-MNOVXSKESA-N 0 3 221.300 1.740 20 10 BDCDHN CC[C@H](CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070955056 384144138 /nfs/dbraw/zinc/14/41/38/384144138.db2.gz UGYSWHDGXQEKOV-LLVKDONJSA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000070955250 384144276 /nfs/dbraw/zinc/14/42/76/384144276.db2.gz QHRVJIXAJCZALB-NSHDSACASA-N 0 3 221.300 1.827 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCC(=O)N(C)C)c1 ZINC000071408033 384165233 /nfs/dbraw/zinc/16/52/33/384165233.db2.gz NIMKMVZRBGHSQL-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN CCCCN(CC(N)=O)Cc1ccccc1O ZINC000132865661 384258578 /nfs/dbraw/zinc/25/85/78/384258578.db2.gz JUTJQXNFLVMYKK-UHFFFAOYSA-N 0 3 236.315 1.480 20 10 BDCDHN CC[C@@H]([NH2+]CCCO)c1ccccc1[O-] ZINC000020188185 384588028 /nfs/dbraw/zinc/58/80/28/384588028.db2.gz UXMDTNUBKYZNRL-LLVKDONJSA-N 0 3 209.289 1.815 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]CCOCCO)c([O-])c1 ZINC000020199204 384596195 /nfs/dbraw/zinc/59/61/95/384596195.db2.gz KNXFRXBAPQDZND-NSHDSACASA-N 0 3 239.315 1.360 20 10 BDCDHN CCN(C)C(=O)CNCc1ccc(N(C)C)cc1 ZINC000185182152 384689337 /nfs/dbraw/zinc/68/93/37/384689337.db2.gz ISVAATQYKQKCNQ-UHFFFAOYSA-N 0 3 249.358 1.321 20 10 BDCDHN C[C@H]([NH2+]CC(C)(C)O)c1cc(F)ccc1[O-] ZINC000087111427 385073346 /nfs/dbraw/zinc/07/33/46/385073346.db2.gz VWXCAQPIOROPLD-QMMMGPOBSA-N 0 3 227.279 1.953 20 10 BDCDHN [NH3+][C@@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000050227705 385312876 /nfs/dbraw/zinc/31/28/76/385312876.db2.gz KRRNFZYQYCCCAB-SNVBAGLBSA-N 0 3 226.707 1.579 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000191185883 385289736 /nfs/dbraw/zinc/28/97/36/385289736.db2.gz LFMPQMBZVVSUBL-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000191185883 385289741 /nfs/dbraw/zinc/28/97/41/385289741.db2.gz LFMPQMBZVVSUBL-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN CCN(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000179902690 385499689 /nfs/dbraw/zinc/49/96/89/385499689.db2.gz NCOHYJDHYMXRBV-SNVBAGLBSA-N 0 3 236.315 1.521 20 10 BDCDHN C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000183629658 385779530 /nfs/dbraw/zinc/77/95/30/385779530.db2.gz JOQGPRGPCPOCSW-ZWNOBZJWSA-N 0 3 237.299 1.194 20 10 BDCDHN CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000294896033 385912572 /nfs/dbraw/zinc/91/25/72/385912572.db2.gz RFOIFYXRJDVRLC-UMNHJUIQSA-N 0 3 221.300 1.956 20 10 BDCDHN COC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000234898387 386114154 /nfs/dbraw/zinc/11/41/54/386114154.db2.gz PPNDVANZNWUBSY-GHMZBOCLSA-N 0 3 239.315 1.359 20 10 BDCDHN C[C@H](CO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000289179920 386269915 /nfs/dbraw/zinc/26/99/15/386269915.db2.gz AKDWHFRIQPHYGU-MRVPVSSYSA-N 0 3 213.252 1.344 20 10 BDCDHN C[C@H](CO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000289179920 386269918 /nfs/dbraw/zinc/26/99/18/386269918.db2.gz AKDWHFRIQPHYGU-MRVPVSSYSA-N 0 3 213.252 1.344 20 10 BDCDHN COC[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565056 386334588 /nfs/dbraw/zinc/33/45/88/386334588.db2.gz JUQBDERIMXIGSV-SNVBAGLBSA-N 0 3 239.290 2.000 20 10 BDCDHN COC[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565056 386334592 /nfs/dbraw/zinc/33/45/92/386334592.db2.gz JUQBDERIMXIGSV-SNVBAGLBSA-N 0 3 239.290 2.000 20 10 BDCDHN CC[C@@H](CO)[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000295072624 386692256 /nfs/dbraw/zinc/69/22/56/386692256.db2.gz HMQQSVVNLLFLGT-NSHDSACASA-N 0 3 239.315 1.604 20 10 BDCDHN CC[C@@H](CO)[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000295072624 386692262 /nfs/dbraw/zinc/69/22/62/386692262.db2.gz HMQQSVVNLLFLGT-NSHDSACASA-N 0 3 239.315 1.604 20 10 BDCDHN C[C@@H](CN(C)C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297436608 388429647 /nfs/dbraw/zinc/42/96/47/388429647.db2.gz VSOKLPVFGJUDHI-CMPLNLGQSA-N 0 3 234.343 1.919 20 10 BDCDHN CC(C)[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297613964 388430762 /nfs/dbraw/zinc/43/07/62/388430762.db2.gz IREDGLKZDKQTQM-YPMHNXCESA-N 0 3 235.327 1.986 20 10 BDCDHN C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000164490198 397998110 /nfs/dbraw/zinc/99/81/10/397998110.db2.gz LAYSUMWEBRFCOO-XQJJYNOISA-N 0 3 241.356 1.810 20 10 BDCDHN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000163421522 168008483 /nfs/dbraw/zinc/00/84/83/168008483.db2.gz KOGUUWCKIQKSKL-VXGBXAGGSA-N 0 3 221.300 1.641 20 10 BDCDHN CCOCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000181484428 170390529 /nfs/dbraw/zinc/39/05/29/170390529.db2.gz FNCALKWGUUXUGF-UHFFFAOYSA-N 0 3 227.279 2.000 20 10 BDCDHN CCOCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000181484428 170390531 /nfs/dbraw/zinc/39/05/31/170390531.db2.gz FNCALKWGUUXUGF-UHFFFAOYSA-N 0 3 227.279 2.000 20 10 BDCDHN CN(C)C(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000020125735 172394469 /nfs/dbraw/zinc/39/44/69/172394469.db2.gz LRGJKELGETXZAS-UHFFFAOYSA-N 0 3 222.332 1.822 20 10 BDCDHN COCCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000070955009 174247168 /nfs/dbraw/zinc/24/71/68/174247168.db2.gz PBUVSMAMDLNBIL-UHFFFAOYSA-N 0 3 209.289 1.827 20 10 BDCDHN COCC[C@@H](CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000282355739 174389127 /nfs/dbraw/zinc/38/91/27/174389127.db2.gz VVLPNMGWAJNMNJ-LBPRGKRZSA-N 0 3 239.315 1.188 20 10 BDCDHN COC[C@H](O)CNCc1ccc(OC)c(C)c1 ZINC000071269057 174597910 /nfs/dbraw/zinc/59/79/10/174597910.db2.gz ALNJAYYZGGWEBA-GFCCVEGCSA-N 0 3 239.315 1.101 20 10 BDCDHN CO[C@H](C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000191205055 174834214 /nfs/dbraw/zinc/83/42/14/174834214.db2.gz DPOQFEUKSBWGDX-SNVBAGLBSA-N 0 3 209.289 1.825 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C(C)(C)[C@H](C)O)c1 ZINC000164786773 175157847 /nfs/dbraw/zinc/15/78/47/175157847.db2.gz OIIXVYCBIAWZGX-VIFPVBQESA-N 0 3 239.315 1.650 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134236707 175159435 /nfs/dbraw/zinc/15/94/35/175159435.db2.gz MKZPQFMIXJHXTD-BXKDBHETSA-N 0 3 237.299 1.668 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000086629170 175160195 /nfs/dbraw/zinc/16/01/95/175160195.db2.gz KKTRZHYDABDAFJ-ZJUUUORDSA-N 0 3 239.315 1.680 20 10 BDCDHN COc1cccc(C[NH2+]C[C@H](C)CO)c1[O-] ZINC000082367471 175264100 /nfs/dbraw/zinc/26/41/00/175264100.db2.gz VSASQVUFQMZYCJ-VIFPVBQESA-N 0 3 225.288 1.119 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccccc1[O-] ZINC000272864236 175784678 /nfs/dbraw/zinc/78/46/78/175784678.db2.gz NLFPUZFQVHALLO-WDEREUQCSA-N 0 3 246.314 1.723 20 10 BDCDHN C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccccc1[O-] ZINC000377825473 177062873 /nfs/dbraw/zinc/06/28/73/177062873.db2.gz CBLCOWDAIZQUBP-JTQLQIEISA-N 0 3 234.299 1.103 20 10 BDCDHN C[C@H]1CC(=O)NCC[N@H+]1Cc1ccccc1[O-] ZINC000377825473 177062874 /nfs/dbraw/zinc/06/28/74/177062874.db2.gz CBLCOWDAIZQUBP-JTQLQIEISA-N 0 3 234.299 1.103 20 10 BDCDHN C[C@@H]([NH2+]CC1COC1)c1ccccc1[O-] ZINC000528028385 262903713 /nfs/dbraw/zinc/90/37/13/262903713.db2.gz WVJLIFSPEXLXHA-SECBINFHSA-N 0 3 207.273 1.689 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCOCCF ZINC000853091462 588719324 /nfs/dbraw/zinc/71/93/24/588719324.db2.gz JSPGUVHBARRGBX-UHFFFAOYSA-N 0 3 243.278 1.477 20 10 BDCDHN C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(F)ccc1[O-] ZINC000854231698 588781387 /nfs/dbraw/zinc/78/13/87/588781387.db2.gz JYUAWASRADADPQ-BDAKNGLRSA-N 0 3 226.295 1.790 20 10 BDCDHN C[C@@H](CCNC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000855417659 588832284 /nfs/dbraw/zinc/83/22/84/588832284.db2.gz MHAGKMSWWQZGSN-QMMMGPOBSA-N 0 3 242.344 1.524 20 10 BDCDHN CC1(C)C[C@@H](O)C[N@H+](Cc2ccccc2[O-])C1 ZINC000877754002 583345817 /nfs/dbraw/zinc/34/58/17/583345817.db2.gz WFYFQLQDFYARDJ-GFCCVEGCSA-N 0 3 235.327 1.985 20 10 BDCDHN CC1(C)C[C@@H](O)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000877754002 583345818 /nfs/dbraw/zinc/34/58/18/583345818.db2.gz WFYFQLQDFYARDJ-GFCCVEGCSA-N 0 3 235.327 1.985 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1COCO1 ZINC000894880144 583543710 /nfs/dbraw/zinc/54/37/10/583543710.db2.gz AMLUXJWMAPNOMV-SNVBAGLBSA-N 0 3 223.272 1.163 20 10 BDCDHN CCOc1ccc(O)c(CN2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647813 583699528 /nfs/dbraw/zinc/69/95/28/583699528.db2.gz MICMZWRJHWICFV-FZMZJTMJSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647813 583699529 /nfs/dbraw/zinc/69/95/29/583699529.db2.gz MICMZWRJHWICFV-FZMZJTMJSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647813 583699531 /nfs/dbraw/zinc/69/95/31/583699531.db2.gz MICMZWRJHWICFV-FZMZJTMJSA-N 0 3 249.310 1.358 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651739 583703435 /nfs/dbraw/zinc/70/34/35/583703435.db2.gz BRKHQWDHELZMCW-GWCFXTLKSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651739 583703436 /nfs/dbraw/zinc/70/34/36/583703436.db2.gz BRKHQWDHELZMCW-GWCFXTLKSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1ccc(C[NH2+]C2CC(CC(N)=O)C2)c([O-])c1 ZINC000896406553 583800752 /nfs/dbraw/zinc/80/07/52/583800752.db2.gz IZEROTRDWKOBSY-UHFFFAOYSA-N 0 3 248.326 1.444 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897678371 584036550 /nfs/dbraw/zinc/03/65/50/584036550.db2.gz ASNUPLVHCVFXPY-ZWNOBZJWSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897678371 584036551 /nfs/dbraw/zinc/03/65/51/584036551.db2.gz ASNUPLVHCVFXPY-ZWNOBZJWSA-N 0 3 221.300 1.513 20 10 BDCDHN NOCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000902415066 584601101 /nfs/dbraw/zinc/60/11/01/584601101.db2.gz KIGWFXJSZVTJTO-JTQLQIEISA-N 0 3 222.288 1.250 20 10 BDCDHN COc1cc(CN2CC[C@H]2CO)c(O)cc1C ZINC000902630673 584647112 /nfs/dbraw/zinc/64/71/12/584647112.db2.gz BYNHZAIBDUNAJL-NSHDSACASA-N 0 3 237.299 1.276 20 10 BDCDHN C[C@@H](N)[C@@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841076373 584742836 /nfs/dbraw/zinc/74/28/36/584742836.db2.gz GPROOTBQXCIIBI-HTQZYQBOSA-N 0 3 212.268 1.357 20 10 BDCDHN Cc1cc(Cl)cc(C[NH2+]C/C=C\CO)c1[O-] ZINC000826936593 584896408 /nfs/dbraw/zinc/89/64/08/584896408.db2.gz ACEMUXPTACNZJM-IHWYPQMZSA-N 0 3 241.718 1.992 20 10 BDCDHN Cc1ccc([O-])c(C[NH+]2CC(CCO)C2)c1 ZINC000839140275 585094336 /nfs/dbraw/zinc/09/43/36/585094336.db2.gz LCMUCQFYXXTFJK-UHFFFAOYSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1ccc(O)c(CN2CC(CCO)C2)c1 ZINC000839140275 585094337 /nfs/dbraw/zinc/09/43/37/585094337.db2.gz LCMUCQFYXXTFJK-UHFFFAOYSA-N 0 3 221.300 1.515 20 10 BDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768440141 585538429 /nfs/dbraw/zinc/53/84/29/585538429.db2.gz DIPUGXZTTGDGTK-CYBMUJFWSA-N 0 3 249.310 1.802 20 10 BDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768440141 585538430 /nfs/dbraw/zinc/53/84/30/585538430.db2.gz DIPUGXZTTGDGTK-CYBMUJFWSA-N 0 3 249.310 1.802 20 10 BDCDHN CO[C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000769446262 585556598 /nfs/dbraw/zinc/55/65/98/585556598.db2.gz LNESRFGQUBROBK-CQSZACIVSA-N 0 3 234.343 1.973 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](CCO)C1 ZINC000770511030 585575344 /nfs/dbraw/zinc/57/53/44/585575344.db2.gz VXWAHOVNIZPNBU-LBPRGKRZSA-N 0 3 235.327 1.987 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](CCO)C1 ZINC000770511030 585575345 /nfs/dbraw/zinc/57/53/45/585575345.db2.gz VXWAHOVNIZPNBU-LBPRGKRZSA-N 0 3 235.327 1.987 20 10 BDCDHN C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1[O-] ZINC000788268586 585920246 /nfs/dbraw/zinc/92/02/46/585920246.db2.gz GKHCDJNANZDBNI-ONGXEEELSA-N 0 3 207.273 1.347 20 10 BDCDHN C[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1[O-] ZINC000788268586 585920247 /nfs/dbraw/zinc/92/02/47/585920247.db2.gz GKHCDJNANZDBNI-ONGXEEELSA-N 0 3 207.273 1.347 20 10 BDCDHN CC[C@@H](C[NH2+]Cc1c([O-])cccc1OC)OC ZINC000810175678 586535920 /nfs/dbraw/zinc/53/59/20/586535920.db2.gz AZOWBLQQJVVTEN-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@@H]1C[C@H]([NH2+]CCN)c2c1c(F)ccc2[O-] ZINC000817935450 586843246 /nfs/dbraw/zinc/84/32/46/586843246.db2.gz WERXVXVPVNSXCG-APPZFPTMSA-N 0 3 224.279 1.628 20 10 BDCDHN CC[C@@H]([NH2+]CCN)c1ccc(C)cc1[O-] ZINC000817934281 586843381 /nfs/dbraw/zinc/84/33/81/586843381.db2.gz FYROUMLXLOXEMT-LLVKDONJSA-N 0 3 208.305 1.700 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1CCNCC1)CC2 ZINC000817937257 586844716 /nfs/dbraw/zinc/84/47/16/586844716.db2.gz VZZYZKYPRSGBOY-LBPRGKRZSA-N 0 3 232.327 1.721 20 10 BDCDHN C[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000817944565 586845947 /nfs/dbraw/zinc/84/59/47/586845947.db2.gz GZWQSMVUSHXFHV-ZJUUUORDSA-N 0 3 206.289 1.405 20 10 BDCDHN C[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000817944563 586846225 /nfs/dbraw/zinc/84/62/25/586846225.db2.gz GZWQSMVUSHXFHV-UWVGGRQHSA-N 0 3 206.289 1.405 20 10 BDCDHN C[C@H](C[NH3+])N[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817966164 586855528 /nfs/dbraw/zinc/85/55/28/586855528.db2.gz HSBGQOJGUUCJRH-HTQZYQBOSA-N 0 3 239.275 1.298 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1cc(F)ccc1[O-] ZINC000817965965 586855766 /nfs/dbraw/zinc/85/57/66/586855766.db2.gz XSUNLGJHIFGGPC-PRHODGIISA-N 0 3 238.306 1.919 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CN)c1ccc(F)cc1[O-] ZINC000817969607 586856016 /nfs/dbraw/zinc/85/60/16/586856016.db2.gz FADKZQPUNAYFNI-JGVFFNPUSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@H](N)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817972764 586858677 /nfs/dbraw/zinc/85/86/77/586858677.db2.gz OIOFJEYESTZWBM-YUMQZZPRSA-N 0 3 212.268 1.529 20 10 BDCDHN CC[C@@H]([NH2+]C[C@H](C)N)c1ccccc1[O-] ZINC000817974001 586860031 /nfs/dbraw/zinc/86/00/31/586860031.db2.gz XIPRRAVLJKVWCY-GXSJLCMTSA-N 0 3 208.305 1.780 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](C)N ZINC000817977119 586860870 /nfs/dbraw/zinc/86/08/70/586860870.db2.gz BQNXHWPDZLZDLP-YIZRAAEISA-N 0 3 226.295 1.918 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818358335 586888988 /nfs/dbraw/zinc/88/89/88/586888988.db2.gz WARWOVIHXGDSIW-RLCGTCKNSA-N 0 3 237.299 1.575 20 10 BDCDHN CN1CCN(Cc2ccccc2O)CCC1=O ZINC000827359433 587378391 /nfs/dbraw/zinc/37/83/91/587378391.db2.gz NUVHWGFOXHMYII-UHFFFAOYSA-N 0 3 234.299 1.056 20 10 BDCDHN C[C@H](O)C1([NH2+]Cc2ccccc2[O-])CC1 ZINC000827580546 587389709 /nfs/dbraw/zinc/38/97/09/587389709.db2.gz UMBCZLKRPCNWKJ-VIFPVBQESA-N 0 3 207.273 1.395 20 10 BDCDHN Nc1ccc(NC(=O)[C@H](N)C2CCC2)cc1 ZINC000832250162 587652083 /nfs/dbraw/zinc/65/20/83/587652083.db2.gz LKTKEVPOBDDNLF-LLVKDONJSA-N 0 3 219.288 1.335 20 10 BDCDHN CN(C)c1ccc([C@H](N)CNC(=O)C2CC2)cc1 ZINC000832286135 587653096 /nfs/dbraw/zinc/65/30/96/587653096.db2.gz WPKWOFLQFMSWPN-CYBMUJFWSA-N 0 3 247.342 1.279 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+][C@H]1CCCNCC1 ZINC000841057117 587940729 /nfs/dbraw/zinc/94/07/29/587940729.db2.gz IIWGIKRDQRQXJH-NSHDSACASA-N 0 3 238.306 1.763 20 10 BDCDHN C[C@@H]1NCCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841063782 587941801 /nfs/dbraw/zinc/94/18/01/587941801.db2.gz OJUNBJJPPCLVMW-CABZTGNLSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@@H]1[NH2+]CCC[C@@H]1NCc1cccc(F)c1[O-] ZINC000841063782 587941803 /nfs/dbraw/zinc/94/18/03/587941803.db2.gz OJUNBJJPPCLVMW-CABZTGNLSA-N 0 3 238.306 1.761 20 10 BDCDHN CCOc1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([O-])c1 ZINC000841079028 587944709 /nfs/dbraw/zinc/94/47/09/587944709.db2.gz VRPHOADZACWJSV-IMRBUKKESA-N 0 3 248.326 1.098 20 10 BDCDHN C[NH2+]CCCN(C)Cc1c([O-])cccc1OC ZINC000841103444 587946432 /nfs/dbraw/zinc/94/64/32/587946432.db2.gz IALBHPXPGCVHCF-UHFFFAOYSA-N 0 3 238.331 1.442 20 10 BDCDHN C[C@@]1(O)C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000841758135 587974488 /nfs/dbraw/zinc/97/44/88/587974488.db2.gz DAOFVWHLHSGDGZ-COPLHBTASA-N 0 3 233.311 1.883 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842773589 588062210 /nfs/dbraw/zinc/06/22/10/588062210.db2.gz BLKJKFCFVAMJDV-VHSXEESVSA-N 0 3 237.299 1.668 20 10 BDCDHN [O-]c1ccccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055666 588077902 /nfs/dbraw/zinc/07/79/02/588077902.db2.gz MWANMJPRPMBPIP-ZDUSSCGKSA-N 0 3 232.327 1.719 20 10 BDCDHN Oc1ccccc1CN1CCNC[C@@H]1C(F)F ZINC000843124700 588083943 /nfs/dbraw/zinc/08/39/43/588083943.db2.gz KDBNEKTUVMWCGL-SNVBAGLBSA-N 0 3 242.269 1.431 20 10 BDCDHN CC[C@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846171487 588259279 /nfs/dbraw/zinc/25/92/79/588259279.db2.gz SZFVJTDKMJNOGK-UWVGGRQHSA-N 0 3 239.315 1.822 20 10 BDCDHN CCc1cccc(C[NH2+][C@@H](CO)C2CC2)c1[O-] ZINC000848897370 588417869 /nfs/dbraw/zinc/41/78/69/588417869.db2.gz PSSMMIAQHZLUID-ZDUSSCGKSA-N 0 3 235.327 1.815 20 10 BDCDHN CCc1cccc(C[N@@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000848890284 588417935 /nfs/dbraw/zinc/41/79/35/588417935.db2.gz RMSDREBCBMOGIO-AWEZNQCLSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000848890284 588417937 /nfs/dbraw/zinc/41/79/37/588417937.db2.gz RMSDREBCBMOGIO-AWEZNQCLSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000848905977 588418691 /nfs/dbraw/zinc/41/86/91/588418691.db2.gz OTRSUNDXEVTQFS-GWCFXTLKSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000848905977 588418692 /nfs/dbraw/zinc/41/86/92/588418692.db2.gz OTRSUNDXEVTQFS-GWCFXTLKSA-N 0 3 235.327 1.910 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]C/C=C/CO)c1 ZINC000850357527 588538696 /nfs/dbraw/zinc/53/86/96/588538696.db2.gz MNURYDNZCLSPTH-ONEGZZNKSA-N 0 3 237.299 1.429 20 10 BDCDHN CCOc1ccc(O)c(CNC/C=C/CO)c1 ZINC000850357527 588538698 /nfs/dbraw/zinc/53/86/98/588538698.db2.gz MNURYDNZCLSPTH-ONEGZZNKSA-N 0 3 237.299 1.429 20 10 BDCDHN CN(C)c1ccc(/C=C\CNC/C=C/CO)cc1 ZINC000850358045 588539106 /nfs/dbraw/zinc/53/91/06/588539106.db2.gz ZYEWQRXIXVAUCJ-ICWBMWKASA-N 0 3 246.354 1.904 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850417674 588545008 /nfs/dbraw/zinc/54/50/08/588545008.db2.gz HNLYEYVPQFKGEY-XYPYZODXSA-N 0 3 237.299 1.404 20 10 BDCDHN CON(C)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000850478632 588548147 /nfs/dbraw/zinc/54/81/47/588548147.db2.gz DTBWSYNXGWRMKT-JTQLQIEISA-N 0 3 224.304 1.536 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579201 588561714 /nfs/dbraw/zinc/56/17/14/588561714.db2.gz SSBAMZHCRLBOTD-OPRDCNLKSA-N 0 3 237.299 1.575 20 10 BDCDHN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1[O-] ZINC000863546806 589297686 /nfs/dbraw/zinc/29/76/86/589297686.db2.gz MOIVOXFOUZVUIE-HOTUBEGUSA-N 0 3 238.306 1.932 20 10 BDCDHN C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCc2cccc([O-])c21 ZINC000863548038 589298464 /nfs/dbraw/zinc/29/84/64/589298464.db2.gz MZXSZUURTNGLOY-WCQGTBRESA-N 0 3 232.327 1.720 20 10 BDCDHN C[C@@H](N)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652949 589307830 /nfs/dbraw/zinc/30/78/30/589307830.db2.gz ZXWVZMVVQYWXCI-SSDOTTSWSA-N 0 3 246.713 1.964 20 10 BDCDHN C[C@@H](N)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652949 589307832 /nfs/dbraw/zinc/30/78/32/589307832.db2.gz ZXWVZMVVQYWXCI-SSDOTTSWSA-N 0 3 246.713 1.964 20 10 BDCDHN Cc1ccc([O-])c(CNC2=[NH+]CCCN2)c1 ZINC000864356938 589355233 /nfs/dbraw/zinc/35/52/33/589355233.db2.gz RBTGIMAIODCQAB-UHFFFAOYSA-N 0 3 219.288 1.140 20 10 BDCDHN COc1ccc(CNCC[S@](C)=O)cc1C ZINC000124198500 589960025 /nfs/dbraw/zinc/96/00/25/589960025.db2.gz VYGVACHEHFUIOT-MRXNPFEDSA-N 0 3 241.356 1.472 20 10 BDCDHN CNC(=O)[C@H]1CCCN1Cc1cccc(C)c1O ZINC000124557371 590050672 /nfs/dbraw/zinc/05/06/72/590050672.db2.gz KTGPYCBWHAXBNH-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2COCCO2)c1[O-] ZINC000124719244 590076909 /nfs/dbraw/zinc/07/69/09/590076909.db2.gz NWYFNYOQBQJJML-GFCCVEGCSA-N 0 3 237.299 1.206 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CC[C@H](C)O)c([O-])c1 ZINC000876744763 590236092 /nfs/dbraw/zinc/23/60/92/590236092.db2.gz AQSVVNQBQSCULK-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@H+](C)CC[C@H](C)O)c([O-])c1 ZINC000876744763 590236093 /nfs/dbraw/zinc/23/60/93/590236093.db2.gz AQSVVNQBQSCULK-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c([O-])c1 ZINC000876743885 590236585 /nfs/dbraw/zinc/23/65/85/590236585.db2.gz KLKPLDCJNHFVNA-GXTWGEPZSA-N 0 3 246.354 1.884 20 10 BDCDHN Cc1ccc(C[NH2+]CCC[S@](C)=O)c([O-])c1 ZINC000877051945 590274916 /nfs/dbraw/zinc/27/49/16/590274916.db2.gz ONETXCLNDLPDIQ-INIZCTEOSA-N 0 3 241.356 1.559 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000877071509 590277502 /nfs/dbraw/zinc/27/75/02/590277502.db2.gz PWYXQFFJDWSXRC-WCQYABFASA-N 0 3 235.327 1.951 20 10 BDCDHN CN(C(=O)[C@@H]1NCC1(C)C)c1ccc(N)cc1 ZINC000877077624 590279220 /nfs/dbraw/zinc/27/92/20/590279220.db2.gz OZHRDYWUQSXPSH-NSHDSACASA-N 0 3 233.315 1.230 20 10 BDCDHN CCNC(=O)[C@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877143015 590291425 /nfs/dbraw/zinc/29/14/25/590291425.db2.gz YRZRQZWHMIHFNA-JTQLQIEISA-N 0 3 236.315 1.315 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000877184001 590298422 /nfs/dbraw/zinc/29/84/22/590298422.db2.gz JYSGMWKGCRDJID-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000877184001 590298424 /nfs/dbraw/zinc/29/84/24/590298424.db2.gz JYSGMWKGCRDJID-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN C[C@H](NC(=O)C1(N)CC1)c1ccccc1O ZINC000877255402 590304294 /nfs/dbraw/zinc/30/42/94/590304294.db2.gz CCUGLJRTHSHKNP-QMMMGPOBSA-N 0 3 220.272 1.061 20 10 BDCDHN CCN(C)C(=O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877423314 590325555 /nfs/dbraw/zinc/32/55/55/590325555.db2.gz XINUWXRSCVQUEE-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN Cc1ccc(C[NH2+]CCCCO)c([O-])c1 ZINC000877482587 590337337 /nfs/dbraw/zinc/33/73/37/590337337.db2.gz DBIVQXUUIPDKHN-UHFFFAOYSA-N 0 3 209.289 1.563 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000877486864 590339391 /nfs/dbraw/zinc/33/93/91/590339391.db2.gz SJFSGBFRSLZZJH-CYBMUJFWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H](O)C(C)(C)C2)c([O-])c1 ZINC000877486864 590339394 /nfs/dbraw/zinc/33/93/94/590339394.db2.gz SJFSGBFRSLZZJH-CYBMUJFWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000877494550 590340670 /nfs/dbraw/zinc/34/06/70/590340670.db2.gz YFXGHTZXHVOVFG-CQSZACIVSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000877494550 590340673 /nfs/dbraw/zinc/34/06/73/590340673.db2.gz YFXGHTZXHVOVFG-CQSZACIVSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[N@H+](C)C[C@H](O)C2CC2)c([O-])c1 ZINC000877527710 590348699 /nfs/dbraw/zinc/34/86/99/590348699.db2.gz OCJLZTMYDVZNEK-AWEZNQCLSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+](C)C[C@H](O)C2CC2)c([O-])c1 ZINC000877527710 590348702 /nfs/dbraw/zinc/34/87/02/590348702.db2.gz OCJLZTMYDVZNEK-AWEZNQCLSA-N 0 3 235.327 1.903 20 10 BDCDHN COC[C@H]1CC[N@H+]1Cc1c(C)cccc1[O-] ZINC000877551202 590355372 /nfs/dbraw/zinc/35/53/72/590355372.db2.gz XQJCXNHHCOHFQO-LLVKDONJSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@H]1CC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877551202 590355369 /nfs/dbraw/zinc/35/53/69/590355369.db2.gz XQJCXNHHCOHFQO-LLVKDONJSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1(N(C)C)CC1 ZINC000877594811 590369950 /nfs/dbraw/zinc/36/99/50/590369950.db2.gz ZWIHCIIKMIGHEU-UHFFFAOYSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c([O-])c1 ZINC000877609727 590372462 /nfs/dbraw/zinc/37/24/62/590372462.db2.gz HSBLRYUNBKLUGG-PHIMTYICSA-N 0 3 234.299 1.054 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCCC1=O ZINC000877613505 590373633 /nfs/dbraw/zinc/37/36/33/590373633.db2.gz KVBBTEAAVUJDMN-UHFFFAOYSA-N 0 3 248.326 1.413 20 10 BDCDHN CCOc1ccc(C[NH2+]C2CSC2)c([O-])c1 ZINC000877635310 590380921 /nfs/dbraw/zinc/38/09/21/590380921.db2.gz LVMOWEAJIPUTOS-UHFFFAOYSA-N 0 3 239.340 1.996 20 10 BDCDHN Cc1ccc(CNCc2cn[nH]n2)c(O)c1 ZINC000877649336 590384167 /nfs/dbraw/zinc/38/41/67/590384167.db2.gz UOOWIMWNYHJRFV-UHFFFAOYSA-N 0 3 218.260 1.109 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1COC1 ZINC000877657883 590385934 /nfs/dbraw/zinc/38/59/34/590385934.db2.gz KIVYGORWVXIECG-UHFFFAOYSA-N 0 3 207.273 1.437 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)c1ccccc1[O-] ZINC000877758360 590418328 /nfs/dbraw/zinc/41/83/28/590418328.db2.gz VUSGJEOELNAOQC-WDEREUQCSA-N 0 3 248.326 1.712 20 10 BDCDHN C[C@H]1CCN[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000127714787 590758794 /nfs/dbraw/zinc/75/87/94/590758794.db2.gz SGBABAVXEMQNQV-CMPLNLGQSA-N 0 3 248.326 1.397 20 10 BDCDHN C[C@H]([NH2+]CC[C@H]1CCNC1=O)c1ccccc1[O-] ZINC000879650359 590843557 /nfs/dbraw/zinc/84/35/57/590843557.db2.gz WQGJEXYYLWNLPU-QWRGUYRKSA-N 0 3 248.326 1.569 20 10 BDCDHN [NH3+][C@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000128318010 590979092 /nfs/dbraw/zinc/97/90/92/590979092.db2.gz IKIACLOQNGNAKQ-VIFPVBQESA-N 0 3 240.734 1.969 20 10 BDCDHN CCN(C)c1ccc(CN2CC=C[C@@H]2CO)cc1 ZINC000880492139 591067613 /nfs/dbraw/zinc/06/76/13/591067613.db2.gz OCMQDRKTFLNGGV-OAHLLOKOSA-N 0 3 246.354 1.875 20 10 BDCDHN CCN(C)c1ccc(CN2CC=C[C@H]2CO)cc1 ZINC000880492138 591069377 /nfs/dbraw/zinc/06/93/77/591069377.db2.gz OCMQDRKTFLNGGV-HNNXBMFYSA-N 0 3 246.354 1.875 20 10 BDCDHN Nc1ccc(NC(=O)[C@H](N)CC2CC2)cc1 ZINC000884009483 591796801 /nfs/dbraw/zinc/79/68/01/591796801.db2.gz XVQLTBCKLFTYQP-LLVKDONJSA-N 0 3 219.288 1.335 20 10 BDCDHN [O-]c1ccc(F)cc1CN1CCC[NH2+]CC1 ZINC000219395258 592223941 /nfs/dbraw/zinc/22/39/41/592223941.db2.gz XQKYBEAAJDLBQD-UHFFFAOYSA-N 0 3 224.279 1.327 20 10 BDCDHN CO[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000300046732 592501592 /nfs/dbraw/zinc/50/15/92/592501592.db2.gz ZEZXCMFAXGJTIF-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN CO[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000300046732 592501594 /nfs/dbraw/zinc/50/15/94/592501594.db2.gz ZEZXCMFAXGJTIF-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN C[C@@H]1CN(Cc2cc(F)ccc2[O-])CC[NH2+]1 ZINC000226561638 635436783 /nfs/dbraw/zinc/43/67/83/635436783.db2.gz XSMIRUOLBNEZCM-SECBINFHSA-N 0 3 224.279 1.325 20 10 BDCDHN CC[S@@](=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000163978747 633067544 /nfs/dbraw/zinc/06/75/44/633067544.db2.gz HHEDPFKAYLNQAQ-HWPZZCPQSA-N 0 3 241.356 1.811 20 10 BDCDHN Cc1cc(N(C)C)ccc1CNC(=O)C1(N)CC1 ZINC000169100895 633155316 /nfs/dbraw/zinc/15/53/16/633155316.db2.gz FYRRUEUKDSCJFD-UHFFFAOYSA-N 0 3 247.342 1.169 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H](CO)C1CC1 ZINC000883002225 636152787 /nfs/dbraw/zinc/15/27/87/636152787.db2.gz AAMVEKBAUOWGQG-LLVKDONJSA-N 0 3 237.299 1.261 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H](CO)C1CC1 ZINC000883002226 636153148 /nfs/dbraw/zinc/15/31/48/636153148.db2.gz AAMVEKBAUOWGQG-NSHDSACASA-N 0 3 237.299 1.261 20 10 BDCDHN O=C1CC[C@@H](C[NH2+][C@@H]2CCc3cccc([O-])c32)N1 ZINC000311059542 634208966 /nfs/dbraw/zinc/20/89/66/634208966.db2.gz JWOQQGTUYSUDIX-WDEREUQCSA-N 0 3 246.310 1.248 20 10 BDCDHN CC(C)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000083347405 640534843 /nfs/dbraw/zinc/53/48/43/640534843.db2.gz RKSDQCICOMQXJT-UHFFFAOYSA-N 0 3 213.252 1.392 20 10 BDCDHN CN1CCC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226586120 640778287 /nfs/dbraw/zinc/77/82/87/640778287.db2.gz IZORPAXLHBLVMK-LBPRGKRZSA-N 0 3 238.306 1.715 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCOC1 ZINC000226617184 640779786 /nfs/dbraw/zinc/77/97/86/640779786.db2.gz TYVYAMIOPLAGBC-JTQLQIEISA-N 0 3 211.236 1.410 20 10 BDCDHN CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000228356271 640872084 /nfs/dbraw/zinc/87/20/84/640872084.db2.gz QPOISAZZDOHLSD-GFCCVEGCSA-N 0 3 234.299 1.103 20 10 BDCDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000228356271 640872088 /nfs/dbraw/zinc/87/20/88/640872088.db2.gz QPOISAZZDOHLSD-GFCCVEGCSA-N 0 3 234.299 1.103 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1[O-] ZINC000087783056 641036580 /nfs/dbraw/zinc/03/65/80/641036580.db2.gz SJLIJQFCALURPS-ZJUUUORDSA-N 0 3 207.273 1.832 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC000190045145 641831067 /nfs/dbraw/zinc/83/10/67/641831067.db2.gz JKRKDOHPOANPPD-JQWIXIFHSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC000190045145 641831073 /nfs/dbraw/zinc/83/10/73/641831073.db2.gz JKRKDOHPOANPPD-JQWIXIFHSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(F)ccc1[O-] ZINC000094617859 644721139 /nfs/dbraw/zinc/72/11/39/644721139.db2.gz QZUUWIWSDVNAGL-ONGXEEELSA-N 0 3 238.306 1.886 20 10 BDCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC000249873251 644743079 /nfs/dbraw/zinc/74/30/79/644743079.db2.gz GNGPUJGEVDVCBG-JOYOIKCWSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC000249873251 644743085 /nfs/dbraw/zinc/74/30/85/644743085.db2.gz GNGPUJGEVDVCBG-JOYOIKCWSA-N 0 3 239.290 1.734 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1C[C@H](CO)C1)CC2 ZINC000927149184 645573192 /nfs/dbraw/zinc/57/31/92/645573192.db2.gz XBPKFBOQYPTHQL-DLOVCJGASA-N 0 3 233.311 1.740 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C1(CO)CC1 ZINC000877625578 645802128 /nfs/dbraw/zinc/80/21/28/645802128.db2.gz PQWRTMSDRPCAEX-LLVKDONJSA-N 0 3 235.327 1.951 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C1CSC1 ZINC000701973475 712034024 /nfs/dbraw/zinc/03/40/24/712034024.db2.gz QHNIRUXMZKQYIL-UHFFFAOYSA-N 0 3 213.277 1.736 20 10 BDCDHN C[C@H](NCc1c[nH]nn1)c1ccc(N(C)C)cc1 ZINC000398339438 711408495 /nfs/dbraw/zinc/40/84/95/711408495.db2.gz MHCPTCLRCJHTCD-JTQLQIEISA-N 0 3 245.330 1.722 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCNC(=O)CC1)c1ccccc1[O-] ZINC000396670720 711365412 /nfs/dbraw/zinc/36/54/12/711365412.db2.gz YNNYPGLOUXRISB-GHMZBOCLSA-N 0 3 248.326 1.712 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC[C@H](C)OC ZINC000726607383 711438867 /nfs/dbraw/zinc/43/88/67/711438867.db2.gz OGAIDQAXGXSQCI-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN CCOC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000382449042 711505185 /nfs/dbraw/zinc/50/51/85/711505185.db2.gz HPNOKGNRLCONMW-MNOVXSKESA-N 0 3 239.315 1.440 20 10 BDCDHN Cc1ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)c([O-])c1 ZINC000896896856 711783292 /nfs/dbraw/zinc/78/32/92/711783292.db2.gz NYOPYVIDPLFUHX-NSHDSACASA-N 0 3 248.326 1.316 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@H]1CO ZINC000164763120 711825359 /nfs/dbraw/zinc/82/53/59/711825359.db2.gz OOZNTBHQRFESLJ-RYUDHWBXSA-N 0 3 221.300 1.643 20 10 BDCDHN CCN1CC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000712583713 712434247 /nfs/dbraw/zinc/43/42/47/712434247.db2.gz VQEXZCKVBMYMJS-GFCCVEGCSA-N 0 3 238.306 1.715 20 10 BDCDHN COC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000036891782 712513391 /nfs/dbraw/zinc/51/33/91/712513391.db2.gz RUMIMTIWHAQXGU-SECBINFHSA-N 0 3 223.272 1.606 20 10 BDCDHN CC[C@H]([NH2+]C/C=C\CO)c1ccccc1[O-] ZINC000717533782 712660735 /nfs/dbraw/zinc/66/07/35/712660735.db2.gz ZNXRWDODVZPDFP-FJOGCWAESA-N 0 3 221.300 1.981 20 10 BDCDHN C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C ZINC000719621392 712817568 /nfs/dbraw/zinc/81/75/68/712817568.db2.gz ZVVBUEIJJDPUQL-BXKDBHETSA-N 0 3 238.306 1.714 20 10 BDCDHN C[C@@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC001329120881 973494486 /nfs/dbraw/zinc/49/44/86/973494486.db2.gz BISORBNUTDYVLO-MRVPVSSYSA-N 0 3 244.285 1.501 20 10 BDCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000397864538 957854546 /nfs/dbraw/zinc/85/45/46/957854546.db2.gz ZEKBJIKFOOIGPQ-JGPRNRPPSA-N 0 3 219.284 1.986 20 10 BDCDHN Cc1c(O)ccc(CN2CCN(C)CC2)c1O ZINC001140741834 960546429 /nfs/dbraw/zinc/54/64/29/960546429.db2.gz DJWHYIRDRGLGLR-UHFFFAOYSA-N 0 3 236.315 1.154 20 10 BDCDHN Cc1c(O)ccc(CN2CC[C@]23CCOC3)c1O ZINC001140749967 960553054 /nfs/dbraw/zinc/55/30/54/960553054.db2.gz QGGMOSZTDUABQL-CQSZACIVSA-N 0 3 249.310 1.771 20 10 BDCDHN Cc1ccc(C[N@H+](C)CC2COC2)c([O-])c1 ZINC001140950905 960759574 /nfs/dbraw/zinc/75/95/74/960759574.db2.gz OPKPORHQFKZMMI-UHFFFAOYSA-N 0 3 221.300 1.779 20 10 BDCDHN CO[C@@H](C)C1CN(Cc2cc(O)ccc2O)C1 ZINC001141161280 960896444 /nfs/dbraw/zinc/89/64/44/960896444.db2.gz BYTZVRIGYFYXRS-VIFPVBQESA-N 0 3 237.299 1.565 20 10 BDCDHN COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001203621897 966711284 /nfs/dbraw/zinc/71/12/84/966711284.db2.gz JPHJEOFBBVAULV-PHIMTYICSA-N 0 3 219.284 1.853 20 10 BDCDHN COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1 ZINC001203621897 966711288 /nfs/dbraw/zinc/71/12/88/966711288.db2.gz JPHJEOFBBVAULV-PHIMTYICSA-N 0 3 219.284 1.853 20 10 BDCDHN Oc1ccc(CN2CCC[C@H](O)CC2)cc1O ZINC001203875300 966806690 /nfs/dbraw/zinc/80/66/90/966806690.db2.gz KMKYDWJQKLGXHM-NSHDSACASA-N 0 3 237.299 1.445 20 10 BDCDHN O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1[O-] ZINC001204277305 966958659 /nfs/dbraw/zinc/95/86/59/966958659.db2.gz YMIQGBXUMPCNRS-PHIMTYICSA-N 0 3 247.294 1.794 20 10 BDCDHN O=C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(O)cc1[O-] ZINC001204277305 966958661 /nfs/dbraw/zinc/95/86/61/966958661.db2.gz YMIQGBXUMPCNRS-PHIMTYICSA-N 0 3 247.294 1.794 20 10 BDCDHN COC(C[N@@H+]1CCc2cccc([O-])c2C1)OC ZINC001207255748 968697954 /nfs/dbraw/zinc/69/79/54/968697954.db2.gz KMADUEPDUHVFPZ-UHFFFAOYSA-N 0 3 237.299 1.369 20 10 BDCDHN COC(C[N@H+]1CCc2cccc([O-])c2C1)OC ZINC001207255748 968697960 /nfs/dbraw/zinc/69/79/60/968697960.db2.gz KMADUEPDUHVFPZ-UHFFFAOYSA-N 0 3 237.299 1.369 20 10 BDCDHN Oc1cc(O)c(CN2CCC[C@@H](F)C2)c(O)c1 ZINC001144509201 972856072 /nfs/dbraw/zinc/85/60/72/972856072.db2.gz OVAASZCFSWBFPT-MRVPVSSYSA-N 0 3 241.262 1.737 20 10 BDCDHN CO[C@@H](C)C1C[NH+](Cc2ccc(O)cc2[O-])C1 ZINC001204277399 978930756 /nfs/dbraw/zinc/93/07/56/978930756.db2.gz CMSROVRJQIVQFJ-VIFPVBQESA-N 0 3 237.299 1.565 20 10 BDCDHN CCc1ccc(CN2CCNC(=O)CC2)c(O)c1 ZINC001236784354 979731168 /nfs/dbraw/zinc/73/11/68/979731168.db2.gz VDCXAMKQISRYCH-UHFFFAOYSA-N 0 3 248.326 1.277 20 10 BDCDHN CCc1ccc(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001236784311 979731502 /nfs/dbraw/zinc/73/15/02/979731502.db2.gz UNXZWRJXELNHEH-ZDUSSCGKSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1ccc(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC001236784311 979731509 /nfs/dbraw/zinc/73/15/09/979731509.db2.gz UNXZWRJXELNHEH-ZDUSSCGKSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001236790412 979741613 /nfs/dbraw/zinc/74/16/13/979741613.db2.gz WXCUDCLBFSWJJW-GFCCVEGCSA-N 0 3 235.327 1.769 20 10 BDCDHN CCc1ccc(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC001236790412 979741619 /nfs/dbraw/zinc/74/16/19/979741619.db2.gz WXCUDCLBFSWJJW-GFCCVEGCSA-N 0 3 235.327 1.769 20 10 BDCDHN COc1cc(C)c(CN2CC3(COC3)C2)c(O)c1 ZINC001236818966 979745465 /nfs/dbraw/zinc/74/54/65/979745465.db2.gz QRFGGZYPSNDJOO-UHFFFAOYSA-N 0 3 249.310 1.541 20 10 BDCDHN Cc1cc(F)cc(CN2CC(N(C)C)C2)c1O ZINC001238057148 980133601 /nfs/dbraw/zinc/13/36/01/980133601.db2.gz IXTZBYKJMNISIT-UHFFFAOYSA-N 0 3 238.306 1.586 20 10 BDCDHN COCC1C[NH+](Cc2ccc(OC)cc2[O-])C1 ZINC001203621214 980254448 /nfs/dbraw/zinc/25/44/48/980254448.db2.gz PRKPHTPFHDWJRT-UHFFFAOYSA-N 0 3 237.299 1.479 20 10 BDCDHN C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(Cl)cc1[O-] ZINC001579467399 985965127 /nfs/dbraw/zinc/96/51/27/985965127.db2.gz CAMXUKNYMZAMQT-LDYMZIIASA-N 0 3 240.734 1.743 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000195006952 136221353 /nfs/dbraw/zinc/22/13/53/136221353.db2.gz CNFIXMGENJSMPG-CABZTGNLSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cccc(CN[C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000195006952 136221354 /nfs/dbraw/zinc/22/13/54/136221354.db2.gz CNFIXMGENJSMPG-CABZTGNLSA-N 0 3 248.326 1.315 20 10 BDCDHN COC[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000019904654 342962264 /nfs/dbraw/zinc/96/22/64/342962264.db2.gz VWPCASGGWYOJPE-VIFPVBQESA-N 0 3 225.288 1.525 20 10 BDCDHN CCN1CCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000019959875 342964646 /nfs/dbraw/zinc/96/46/46/342964646.db2.gz VYZFVGWSSXTIKK-ZDUSSCGKSA-N 0 3 234.343 1.966 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1[O-] ZINC000036794364 343324172 /nfs/dbraw/zinc/32/41/72/343324172.db2.gz CQIVYBDWPLYURD-ZJUUUORDSA-N 0 3 236.315 1.520 20 10 BDCDHN CC[C@H]([NH2+]C[C@@H](C)O)c1ccccc1[O-] ZINC000035601759 187258169 /nfs/dbraw/zinc/25/81/69/187258169.db2.gz GLPQHFJETHNBNS-KOLCDFICSA-N 0 3 209.289 1.814 20 10 BDCDHN CC(C)C[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000040773563 187264245 /nfs/dbraw/zinc/26/42/45/187264245.db2.gz UEAXEJFRXDNORT-GFCCVEGCSA-N 0 3 223.316 1.889 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCCCCO)c1 ZINC000083352854 187284216 /nfs/dbraw/zinc/28/42/16/187284216.db2.gz RWSJVVZKUBECCF-UHFFFAOYSA-N 0 3 223.316 1.953 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCO)c1 ZINC000035628920 178804156 /nfs/dbraw/zinc/80/41/56/178804156.db2.gz SKGOBVOLVAGQKA-JTQLQIEISA-N 0 3 209.289 1.734 20 10 BDCDHN CCCN(CC(N)=O)Cc1ccccc1O ZINC000060378116 345772290 /nfs/dbraw/zinc/77/22/90/345772290.db2.gz VEPXPZNZQOKMMO-UHFFFAOYSA-N 0 3 222.288 1.090 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000188839871 187312392 /nfs/dbraw/zinc/31/23/92/187312392.db2.gz SEALPYKZKNKIRV-AAEUAGOBSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000183374410 179077061 /nfs/dbraw/zinc/07/70/61/179077061.db2.gz BBTFGSMVRPAYQQ-LBPRGKRZSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1[O-] ZINC000183374410 179077064 /nfs/dbraw/zinc/07/70/64/179077064.db2.gz BBTFGSMVRPAYQQ-LBPRGKRZSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(CN2CCN(C3CC3)CC2)c1O ZINC000179670568 179076673 /nfs/dbraw/zinc/07/66/73/179076673.db2.gz OVSWECXSEQQFER-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1cccc(CNCc2cnnn2C)c1O ZINC000289244901 179096245 /nfs/dbraw/zinc/09/62/45/179096245.db2.gz ANMMQYVQRWVYPV-UHFFFAOYSA-N 0 3 232.287 1.119 20 10 BDCDHN CC(C)(C)[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000207538121 348776402 /nfs/dbraw/zinc/77/64/02/348776402.db2.gz WHJPLZJRKJLOTE-LBPRGKRZSA-N 0 3 223.316 1.889 20 10 BDCDHN CC[N@H+](Cc1cc(OC)ccc1[O-])[C@H](C)CO ZINC000292678206 352326716 /nfs/dbraw/zinc/32/67/16/352326716.db2.gz ALUABBIVVCQILI-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])[C@H](C)CO ZINC000292678206 352326717 /nfs/dbraw/zinc/32/67/17/352326717.db2.gz ALUABBIVVCQILI-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CC(C)(O)CC[NH2+]Cc1ccccc1[O-] ZINC000162953851 188048694 /nfs/dbraw/zinc/04/86/94/188048694.db2.gz OAVIHESRMSRLJE-UHFFFAOYSA-N 0 3 209.289 1.643 20 10 BDCDHN NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000155066235 181281136 /nfs/dbraw/zinc/28/11/36/181281136.db2.gz AXLMESDZKPNYKB-NSHDSACASA-N 0 3 234.299 1.090 20 10 BDCDHN NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000155066235 181281138 /nfs/dbraw/zinc/28/11/38/181281138.db2.gz AXLMESDZKPNYKB-NSHDSACASA-N 0 3 234.299 1.090 20 10 BDCDHN COc1ccc(O)c(CN2CCCOCC2)c1 ZINC000134188107 358781639 /nfs/dbraw/zinc/78/16/39/358781639.db2.gz OAGRFEBBKUCVPZ-UHFFFAOYSA-N 0 3 237.299 1.623 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCCCCO ZINC000083355412 183046979 /nfs/dbraw/zinc/04/69/79/183046979.db2.gz DKBABUFBXROPID-UHFFFAOYSA-N 0 3 227.279 1.784 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000164784535 183121265 /nfs/dbraw/zinc/12/12/65/183121265.db2.gz CCQPFHFRXMZFKI-NSHDSACASA-N 0 3 207.273 1.349 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000164784535 183121268 /nfs/dbraw/zinc/12/12/68/183121268.db2.gz CCQPFHFRXMZFKI-NSHDSACASA-N 0 3 207.273 1.349 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1cn[nH]c1 ZINC000291692305 183275443 /nfs/dbraw/zinc/27/54/43/183275443.db2.gz YFYNLRRCHBEDCE-UHFFFAOYSA-N 0 3 235.262 1.587 20 10 BDCDHN CCCN(Cc1ccccc1O)C(=O)[C@H](C)N ZINC000156729646 169177396 /nfs/dbraw/zinc/17/73/96/169177396.db2.gz CKYQCISBHPCOCP-JTQLQIEISA-N 0 3 236.315 1.478 20 10 BDCDHN CCC[N@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000161222010 169166337 /nfs/dbraw/zinc/16/63/37/169166337.db2.gz WKMXEDXHNZFUNH-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCC[N@@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000161222010 169166339 /nfs/dbraw/zinc/16/63/39/169166339.db2.gz WKMXEDXHNZFUNH-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCC[N@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000271823052 169167322 /nfs/dbraw/zinc/16/73/22/169167322.db2.gz PONQKHNJLWIEJH-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCC[N@@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000271823052 169167324 /nfs/dbraw/zinc/16/73/24/169167324.db2.gz PONQKHNJLWIEJH-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN c1cc(CNC[C@@H]2CCCO2)cc2c1OCC2 ZINC000001503075 183367882 /nfs/dbraw/zinc/36/78/82/183367882.db2.gz IEYPWNCLKNXLKY-ZDUSSCGKSA-N 0 3 233.311 1.890 20 10 BDCDHN CCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042878975 169266864 /nfs/dbraw/zinc/26/68/64/169266864.db2.gz GHGMUFJAQXSIRZ-UHFFFAOYSA-N 0 3 209.245 1.621 20 10 BDCDHN CCN(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295831053 383858229 /nfs/dbraw/zinc/85/82/29/383858229.db2.gz DXNKFJJWHPHDME-LBPRGKRZSA-N 0 3 234.343 1.921 20 10 BDCDHN CCOCCNCc1ccc(N(C)C)cc1 ZINC000035151404 383833177 /nfs/dbraw/zinc/83/31/77/383833177.db2.gz WWRIACCEZVVLBD-UHFFFAOYSA-N 0 3 222.332 1.879 20 10 BDCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)C ZINC000036794363 383911155 /nfs/dbraw/zinc/91/11/55/383911155.db2.gz CQIVYBDWPLYURD-UWVGGRQHSA-N 0 3 236.315 1.520 20 10 BDCDHN CN(Cc1ccccc1O)C(=O)[C@H]1CCCCN1 ZINC000037823730 384023532 /nfs/dbraw/zinc/02/35/32/384023532.db2.gz ABWXKPISCDTETJ-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCCNC2=O)c1 ZINC000071407442 384165460 /nfs/dbraw/zinc/16/54/60/384165460.db2.gz AMBMKQXXHNFUFY-GFCCVEGCSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1ccc(O)c(CN[C@@H]2CCCCNC2=O)c1 ZINC000071407442 384165464 /nfs/dbraw/zinc/16/54/64/384165464.db2.gz AMBMKQXXHNFUFY-GFCCVEGCSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1ccc(O)c(CNCC(=O)NC2CC2)c1 ZINC000071407084 384166225 /nfs/dbraw/zinc/16/62/25/384166225.db2.gz LXBQVPQUTCPLNY-UHFFFAOYSA-N 0 3 234.299 1.069 20 10 BDCDHN CN(C)CC1([NH2+]Cc2ccccc2[O-])CCC1 ZINC000282286435 384211179 /nfs/dbraw/zinc/21/11/79/384211179.db2.gz QUGCRIGMLRFCIE-UHFFFAOYSA-N 0 3 234.343 1.966 20 10 BDCDHN Cc1ccc(O)c(CN(CC(N)=O)C(C)C)c1 ZINC000133009132 384266103 /nfs/dbraw/zinc/26/61/03/384266103.db2.gz VQZHUPKVSXKXMG-UHFFFAOYSA-N 0 3 236.315 1.396 20 10 BDCDHN C[C@@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000120226314 384340402 /nfs/dbraw/zinc/34/04/02/384340402.db2.gz XYHOMXZXRWNVOJ-CQSZACIVSA-N 0 3 233.311 1.890 20 10 BDCDHN C[C@]1(NCc2ccc3c(c2)CCO3)CCOC1 ZINC000120226187 384341946 /nfs/dbraw/zinc/34/19/46/384341946.db2.gz XYHOMXZXRWNVOJ-AWEZNQCLSA-N 0 3 233.311 1.890 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CO)c1 ZINC000035629073 384417614 /nfs/dbraw/zinc/41/76/14/384417614.db2.gz RIBKYERJTKUHEX-VHSXEESVSA-N 0 3 209.289 1.732 20 10 BDCDHN C[C@H]([NH2+]CCOCCO)c1ccccc1[O-] ZINC000020198667 384595513 /nfs/dbraw/zinc/59/55/13/384595513.db2.gz PBTPIRZNGQDKSH-JTQLQIEISA-N 0 3 225.288 1.052 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](C)CO)c1 ZINC000125739673 384744313 /nfs/dbraw/zinc/74/43/13/384744313.db2.gz FMOWYZNUCORAEH-MNOVXSKESA-N 0 3 223.316 1.807 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H](CC)CO)c1 ZINC000186523725 384851381 /nfs/dbraw/zinc/85/13/81/384851381.db2.gz ZBDBDWIWVYJSED-NSHDSACASA-N 0 3 239.315 1.651 20 10 BDCDHN Cc1cccc(C[NH2+][C@H](C)C[S@](C)=O)c1[O-] ZINC000164410170 384982455 /nfs/dbraw/zinc/98/24/55/384982455.db2.gz XZLIAZLAGMVDIL-QLJPJBMISA-N 0 3 241.356 1.557 20 10 BDCDHN C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000164490576 384998684 /nfs/dbraw/zinc/99/86/84/384998684.db2.gz LAYSUMWEBRFCOO-LSYCYVAJSA-N 0 3 241.356 1.810 20 10 BDCDHN C[C@H](CCCO)C[NH2+]Cc1ccccc1[O-] ZINC000294923799 385311920 /nfs/dbraw/zinc/31/19/20/385311920.db2.gz YXSXZNNHFBFAGS-LLVKDONJSA-N 0 3 223.316 1.890 20 10 BDCDHN COC(=O)C(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000167059477 385296137 /nfs/dbraw/zinc/29/61/37/385296137.db2.gz AGGWFZPEEZYJNP-UHFFFAOYSA-N 0 3 237.299 1.681 20 10 BDCDHN Nc1ccc(CCNC(=O)[C@H]2CCCCN2)cc1 ZINC000131836892 385364833 /nfs/dbraw/zinc/36/48/33/385364833.db2.gz GHLSLZKBCURNCB-CYBMUJFWSA-N 0 3 247.342 1.070 20 10 BDCDHN COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179555078 385472368 /nfs/dbraw/zinc/47/23/68/385472368.db2.gz VUTHKMSGQMVWDT-LBPRGKRZSA-N 0 3 249.310 1.777 20 10 BDCDHN COC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179555078 385472371 /nfs/dbraw/zinc/47/23/71/385472371.db2.gz VUTHKMSGQMVWDT-LBPRGKRZSA-N 0 3 249.310 1.777 20 10 BDCDHN COCC[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000172071662 385547481 /nfs/dbraw/zinc/54/74/81/385547481.db2.gz XIOIXXWZDCFNRQ-ZDUSSCGKSA-N 0 3 239.315 1.269 20 10 BDCDHN C[C@]1(C(=O)Nc2ccc(N)cc2)CCCCN1 ZINC000180895592 385554826 /nfs/dbraw/zinc/55/48/26/385554826.db2.gz LJVSZEVUZQHMNY-CYBMUJFWSA-N 0 3 233.315 1.740 20 10 BDCDHN C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000230392608 385735671 /nfs/dbraw/zinc/73/56/71/385735671.db2.gz ZPIWGRUCNZTYCG-PWJLMRLQSA-N 0 3 245.319 1.388 20 10 BDCDHN C[C@H](C[S@](C)=O)N(C)Cc1ccccc1O ZINC000185225763 385724561 /nfs/dbraw/zinc/72/45/61/385724561.db2.gz ZTYJFTVAIDKKCO-HWPZZCPQSA-N 0 3 241.356 1.591 20 10 BDCDHN C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272864234 385946097 /nfs/dbraw/zinc/94/60/97/385946097.db2.gz NLFPUZFQVHALLO-QWRGUYRKSA-N 0 3 246.314 1.723 20 10 BDCDHN C[C@@H](O)C(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618403 386344920 /nfs/dbraw/zinc/34/49/20/386344920.db2.gz LTXTZZCFPXLWFP-MRVPVSSYSA-N 0 3 227.279 1.780 20 10 BDCDHN C[C@H](CCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226612578 386345563 /nfs/dbraw/zinc/34/55/63/386345563.db2.gz KNSLVBRWMDSYDU-SECBINFHSA-N 0 3 227.279 1.639 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000368135266 386946939 /nfs/dbraw/zinc/94/69/39/386946939.db2.gz PDZODWCSPJRYLS-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000368135266 386946943 /nfs/dbraw/zinc/94/69/43/386946943.db2.gz PDZODWCSPJRYLS-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000111235624 387366412 /nfs/dbraw/zinc/36/64/12/387366412.db2.gz FQXUJVDNVKZTOZ-LLVKDONJSA-N 0 3 221.300 1.861 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCOC1 ZINC000111235624 387366417 /nfs/dbraw/zinc/36/64/17/387366417.db2.gz FQXUJVDNVKZTOZ-LLVKDONJSA-N 0 3 221.300 1.861 20 10 BDCDHN CCOCC[NH2+]Cc1cccc(C)c1[O-] ZINC000163728485 387911411 /nfs/dbraw/zinc/91/14/11/387911411.db2.gz SQTNOASMQJRJCA-UHFFFAOYSA-N 0 3 209.289 1.827 20 10 BDCDHN C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccccc1[O-] ZINC000164253976 388183173 /nfs/dbraw/zinc/18/31/73/388183173.db2.gz KGQWHRSITWNHOZ-VFZGTOFNSA-N 0 3 227.329 1.249 20 10 BDCDHN C[C@@H](C[S@](C)=O)[NH2+]Cc1ccccc1[O-] ZINC000164253761 388183585 /nfs/dbraw/zinc/18/35/85/388183585.db2.gz KGQWHRSITWNHOZ-BJOHPYRUSA-N 0 3 227.329 1.249 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367573420 388565528 /nfs/dbraw/zinc/56/55/28/388565528.db2.gz HMCCNUJZIIMKRI-XYYAHUGASA-N 0 3 233.311 1.683 20 10 BDCDHN CC[N@H+](CCCO)Cc1cc(F)ccc1[O-] ZINC000272292938 397976916 /nfs/dbraw/zinc/97/69/16/397976916.db2.gz OMHWAZNQMYAKDL-UHFFFAOYSA-N 0 3 227.279 1.736 20 10 BDCDHN CC[N@@H+](CCCO)Cc1cc(F)ccc1[O-] ZINC000272292938 397976918 /nfs/dbraw/zinc/97/69/18/397976918.db2.gz OMHWAZNQMYAKDL-UHFFFAOYSA-N 0 3 227.279 1.736 20 10 BDCDHN CC(C)NC(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295877319 167061768 /nfs/dbraw/zinc/06/17/68/167061768.db2.gz HKERMEBCLLAXRG-LLVKDONJSA-N 0 3 248.326 1.494 20 10 BDCDHN CC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162826662 171185059 /nfs/dbraw/zinc/18/50/59/171185059.db2.gz LIYTZXCMCSFIPX-CYBMUJFWSA-N 0 3 223.316 1.951 20 10 BDCDHN CN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000139745933 173086309 /nfs/dbraw/zinc/08/63/09/173086309.db2.gz PSCPIMOPTIOHAF-UHFFFAOYSA-N 0 3 224.279 1.279 20 10 BDCDHN CNC(=O)[C@H]1CCCCN1Cc1ccccc1O ZINC000133042699 173305925 /nfs/dbraw/zinc/30/59/25/173305925.db2.gz BBMNPYSGKVEWLD-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN COCCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000044655544 174200812 /nfs/dbraw/zinc/20/08/12/174200812.db2.gz KTBZANAOSQMAHK-UHFFFAOYSA-N 0 3 239.315 1.917 20 10 BDCDHN COCCN(C)Cc1cccc(OC)c1O ZINC000132707986 174281233 /nfs/dbraw/zinc/28/12/33/174281233.db2.gz WFCZDYAJNZBWSD-UHFFFAOYSA-N 0 3 225.288 1.479 20 10 BDCDHN COCCN(CCO)Cc1cccc(C)c1O ZINC000271751097 174293085 /nfs/dbraw/zinc/29/30/85/174293085.db2.gz VKBZDMXKZCDFKR-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COCC[N@H+](CCO)Cc1cccc(C)c1[O-] ZINC000271751097 174293086 /nfs/dbraw/zinc/29/30/86/174293086.db2.gz VKBZDMXKZCDFKR-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COCC[N@@H+](CCO)Cc1cccc(C)c1[O-] ZINC000271751097 174293087 /nfs/dbraw/zinc/29/30/87/174293087.db2.gz VKBZDMXKZCDFKR-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COCC[NH2+]Cc1cc(Cl)cc(OC)c1[O-] ZINC000076274270 174334999 /nfs/dbraw/zinc/33/49/99/174334999.db2.gz PQWFXDVVWDLROE-UHFFFAOYSA-N 0 3 245.706 1.790 20 10 BDCDHN COc1ccc(O)c(CNCc2c[nH]nc2C)c1 ZINC000038011222 175158557 /nfs/dbraw/zinc/15/85/57/175158557.db2.gz QTSGLRZVZPWXOR-UHFFFAOYSA-N 0 3 247.298 1.722 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC2=CCCOC2)c1 ZINC000127310492 175159028 /nfs/dbraw/zinc/15/90/28/175159028.db2.gz LTHUMPMHHNXDSC-UHFFFAOYSA-N 0 3 249.310 1.837 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000085983765 175160496 /nfs/dbraw/zinc/16/04/96/175160496.db2.gz HXWSWCHZYGUJAC-VHSXEESVSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc(C[NH2+][C@@H](C)[C@H](C)CO)c1[O-] ZINC000077421974 175266905 /nfs/dbraw/zinc/26/69/05/175266905.db2.gz YNSVVNCQDGCUAB-ZJUUUORDSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2CCSC2)c1[O-] ZINC000230705120 175267889 /nfs/dbraw/zinc/26/78/89/175267889.db2.gz DNFGJJUHIMLMBY-JTQLQIEISA-N 0 3 239.340 1.996 20 10 BDCDHN C[C@H](Cn1cccn1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584453 176730760 /nfs/dbraw/zinc/73/07/60/176730760.db2.gz HIOGFBIBMFTSDS-SNVBAGLBSA-N 0 3 249.289 1.906 20 10 BDCDHN C[C@H](O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297542399 487821263 /nfs/dbraw/zinc/82/12/63/487821263.db2.gz FCNZENBVOXVPQQ-ONGXEEELSA-N 0 3 221.300 1.740 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1COC1 ZINC000529674110 324375930 /nfs/dbraw/zinc/37/59/30/324375930.db2.gz LFXBYXCAWDIANZ-UHFFFAOYSA-N 0 3 211.236 1.267 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000127042852 491132135 /nfs/dbraw/zinc/13/21/35/491132135.db2.gz UKCTUNZLCHDHGP-PWSUYJOCSA-N 0 3 221.300 1.907 20 10 BDCDHN C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000854231097 588781650 /nfs/dbraw/zinc/78/16/50/588781650.db2.gz DTCFXQOFXRBPGM-BDAKNGLRSA-N 0 3 226.295 1.790 20 10 BDCDHN CNC[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000854231097 588781651 /nfs/dbraw/zinc/78/16/51/588781651.db2.gz DTCFXQOFXRBPGM-BDAKNGLRSA-N 0 3 226.295 1.790 20 10 BDCDHN COc1cc(C)cc(C[NH2+][C@@H](C)CCO)c1[O-] ZINC000894284640 583410228 /nfs/dbraw/zinc/41/02/28/583410228.db2.gz RQUOAELJMMKPJE-JTQLQIEISA-N 0 3 239.315 1.570 20 10 BDCDHN CN(C)c1ccc(CNC[C@@H]2COCO2)cc1 ZINC000894868902 583539113 /nfs/dbraw/zinc/53/91/13/583539113.db2.gz NOLBDLRGXJUIJH-CYBMUJFWSA-N 0 3 236.315 1.215 20 10 BDCDHN CC1=NO[C@@H](C[NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000895302963 583644775 /nfs/dbraw/zinc/64/47/75/583644775.db2.gz XZFXGRXGLJFPSI-GFCCVEGCSA-N 0 3 234.299 1.955 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000895655205 583701326 /nfs/dbraw/zinc/70/13/26/583701326.db2.gz UYCMPVIYGBNEDV-TZMCWYRMSA-N 0 3 233.311 1.521 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000895655205 583701328 /nfs/dbraw/zinc/70/13/28/583701328.db2.gz UYCMPVIYGBNEDV-TZMCWYRMSA-N 0 3 233.311 1.521 20 10 BDCDHN C[C@@]1(O)C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000841892336 583709127 /nfs/dbraw/zinc/70/91/27/583709127.db2.gz XSMUGOAHBGLRCS-KLPPZKSPSA-N 0 3 225.263 1.534 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000896554150 583811529 /nfs/dbraw/zinc/81/15/29/583811529.db2.gz HUTFHRYRMHGEJO-AAEUAGOBSA-N 0 3 234.343 1.883 20 10 BDCDHN CN1C[C@@H]([N@H+](C)Cc2ccccc2[O-])CCC1=O ZINC000862429002 583962597 /nfs/dbraw/zinc/96/25/97/583962597.db2.gz ZIUWNUDJQDSKQT-LBPRGKRZSA-N 0 3 248.326 1.445 20 10 BDCDHN CN1C[C@@H]([N@@H+](C)Cc2ccccc2[O-])CCC1=O ZINC000862429002 583962598 /nfs/dbraw/zinc/96/25/98/583962598.db2.gz ZIUWNUDJQDSKQT-LBPRGKRZSA-N 0 3 248.326 1.445 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000897681306 584039572 /nfs/dbraw/zinc/03/95/72/584039572.db2.gz QTPLAMHWUUHTPT-PRHODGIISA-N 0 3 225.263 1.344 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000897681306 584039574 /nfs/dbraw/zinc/03/95/74/584039574.db2.gz QTPLAMHWUUHTPT-PRHODGIISA-N 0 3 225.263 1.344 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897684683 584040001 /nfs/dbraw/zinc/04/00/01/584040001.db2.gz VDMZRTZDZTXBSP-CABZTGNLSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897684683 584040003 /nfs/dbraw/zinc/04/00/03/584040003.db2.gz VDMZRTZDZTXBSP-CABZTGNLSA-N 0 3 237.299 1.213 20 10 BDCDHN CCC[NH2+]CCNCc1cccc(F)c1[O-] ZINC000841046722 584124421 /nfs/dbraw/zinc/12/44/21/584124421.db2.gz LSAYTHXHWFDISR-UHFFFAOYSA-N 0 3 226.295 1.621 20 10 BDCDHN CCCNCC[NH2+]Cc1cccc(F)c1[O-] ZINC000841046722 584124423 /nfs/dbraw/zinc/12/44/23/584124423.db2.gz LSAYTHXHWFDISR-UHFFFAOYSA-N 0 3 226.295 1.621 20 10 BDCDHN C[C@H]([NH2+]CC1(N)CC1)c1ccc(F)cc1[O-] ZINC000902408159 584574863 /nfs/dbraw/zinc/57/48/63/584574863.db2.gz XHNRYSFAHYHBKH-QMMMGPOBSA-N 0 3 224.279 1.673 20 10 BDCDHN C[C@@H]([NH2+]CC1(N)CC1)c1cc(F)cc(F)c1[O-] ZINC000902408627 584575697 /nfs/dbraw/zinc/57/56/97/584575697.db2.gz ZSASWMKLYRTFCK-SSDOTTSWSA-N 0 3 242.269 1.812 20 10 BDCDHN C[C@@H](NCC1([NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000902408627 584575698 /nfs/dbraw/zinc/57/56/98/584575698.db2.gz ZSASWMKLYRTFCK-SSDOTTSWSA-N 0 3 242.269 1.812 20 10 BDCDHN CC1(C)C[NH2+]C[C@H]1N[C@@H]1CCc2cccc([O-])c21 ZINC000902446226 584594239 /nfs/dbraw/zinc/59/42/39/584594239.db2.gz SSAZZMAUXADVQM-DGCLKSJQSA-N 0 3 246.354 1.967 20 10 BDCDHN C[C@@H]1C[NH2+]C[C@H]1NCc1c([O-])cccc1Cl ZINC000903960595 584828335 /nfs/dbraw/zinc/82/83/35/584828335.db2.gz QLBBTOJBKPUCMN-LDYMZIIASA-N 0 3 240.734 1.743 20 10 BDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC1 ZINC000768443866 585538831 /nfs/dbraw/zinc/53/88/31/585538831.db2.gz VLPMLVLWMJPDGX-CYBMUJFWSA-N 0 3 249.310 1.660 20 10 BDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)CC1CC1 ZINC000768443866 585538832 /nfs/dbraw/zinc/53/88/32/585538832.db2.gz VLPMLVLWMJPDGX-CYBMUJFWSA-N 0 3 249.310 1.660 20 10 BDCDHN COC(=O)CC1([NH2+]Cc2ccccc2[O-])CCC1 ZINC000779110695 585745114 /nfs/dbraw/zinc/74/51/14/585745114.db2.gz DDVPCNMNNNPGLK-UHFFFAOYSA-N 0 3 249.310 1.968 20 10 BDCDHN CCOc1ccc(C[NH2+]CCCCO)c([O-])c1 ZINC000785534888 585875243 /nfs/dbraw/zinc/87/52/43/585875243.db2.gz PKVZILFKQVJVBT-UHFFFAOYSA-N 0 3 239.315 1.653 20 10 BDCDHN CNC(=O)[C@@H]([NH2+]Cc1ccccc1[O-])C(C)C ZINC000785590061 585876316 /nfs/dbraw/zinc/87/63/16/585876316.db2.gz XARTZXGLLWLCOD-LBPRGKRZSA-N 0 3 236.315 1.252 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)[C@H](C)CO ZINC000809745132 586516695 /nfs/dbraw/zinc/51/66/95/586516695.db2.gz DDOOZHSCTKEYTQ-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)CO ZINC000809745132 586516697 /nfs/dbraw/zinc/51/66/97/586516697.db2.gz DDOOZHSCTKEYTQ-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN Cc1cccc(C[N@H+](C)C[C@@H](O)C2CC2)c1[O-] ZINC000809753134 586517989 /nfs/dbraw/zinc/51/79/89/586517989.db2.gz ZTMOTTLEOGNJLE-CYBMUJFWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+](C)C[C@@H](O)C2CC2)c1[O-] ZINC000809753134 586517991 /nfs/dbraw/zinc/51/79/91/586517991.db2.gz ZTMOTTLEOGNJLE-CYBMUJFWSA-N 0 3 235.327 1.903 20 10 BDCDHN C[C@H]1C[C@H](CO)C[N@H+](Cc2ccccc2[O-])C1 ZINC000817412730 586801735 /nfs/dbraw/zinc/80/17/35/586801735.db2.gz ONBBIHFUUTWYID-RYUDHWBXSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000817412730 586801737 /nfs/dbraw/zinc/80/17/37/586801737.db2.gz ONBBIHFUUTWYID-RYUDHWBXSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCCNC1)c1ccc(F)cc1[O-] ZINC000817942134 586845202 /nfs/dbraw/zinc/84/52/02/586845202.db2.gz XADDSTHUDCLDOS-ONGXEEELSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@H](N[C@H]1CCC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817942134 586845204 /nfs/dbraw/zinc/84/52/04/586845204.db2.gz XADDSTHUDCLDOS-ONGXEEELSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000817944564 586845792 /nfs/dbraw/zinc/84/57/92/586845792.db2.gz GZWQSMVUSHXFHV-VHSXEESVSA-N 0 3 206.289 1.405 20 10 BDCDHN CC[C@@H]([NH2+]C1CNC1)c1ccc(F)cc1[O-] ZINC000817955665 586847055 /nfs/dbraw/zinc/84/70/55/586847055.db2.gz DTUTWYCORSDCEH-LLVKDONJSA-N 0 3 224.279 1.544 20 10 BDCDHN CNCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817953199 586848726 /nfs/dbraw/zinc/84/87/26/586848726.db2.gz WWQAKSGXIQXFOQ-SSDOTTSWSA-N 0 3 230.258 1.540 20 10 BDCDHN C[C@@H](NC1C[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817955482 586849640 /nfs/dbraw/zinc/84/96/40/586849640.db2.gz BWTODNNLFXBEDZ-SSDOTTSWSA-N 0 3 226.707 1.668 20 10 BDCDHN C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccc(F)cc1[O-] ZINC000817961264 586853384 /nfs/dbraw/zinc/85/33/84/586853384.db2.gz VZZJHPDNXHVHIR-PRHODGIISA-N 0 3 238.306 1.919 20 10 BDCDHN CN(C)c1ccc(/C=C\CN[C@@H]2CC[C@H]2O)cc1 ZINC000818230558 586880656 /nfs/dbraw/zinc/88/06/56/586880656.db2.gz GNQJYOIZGPWTSW-LPUOJRKPSA-N 0 3 246.354 1.879 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000822503366 587172261 /nfs/dbraw/zinc/17/22/61/587172261.db2.gz GZIWJRNCVHGBBU-ZYHUDNBSSA-N 0 3 223.272 1.014 20 10 BDCDHN Cc1cc(N(C)C)ccc1CN[C@H]1CCNC1=O ZINC000826774668 587361962 /nfs/dbraw/zinc/36/19/62/587361962.db2.gz XPAOCLQLQFIBTK-ZDUSSCGKSA-N 0 3 247.342 1.039 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H](C)[C@H]1O ZINC000827151972 587371462 /nfs/dbraw/zinc/37/14/62/587371462.db2.gz OISOFLGMNNNAEE-YABSGUDNSA-N 0 3 235.327 1.841 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H](C)[C@H]1O ZINC000827151972 587371463 /nfs/dbraw/zinc/37/14/63/587371463.db2.gz OISOFLGMNNNAEE-YABSGUDNSA-N 0 3 235.327 1.841 20 10 BDCDHN C[C@@]12COC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000827284722 587375240 /nfs/dbraw/zinc/37/52/40/587375240.db2.gz VWWDKNPTSINGSL-GXTWGEPZSA-N 0 3 233.311 1.861 20 10 BDCDHN C[C@@]12COC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000827284722 587375241 /nfs/dbraw/zinc/37/52/41/587375241.db2.gz VWWDKNPTSINGSL-GXTWGEPZSA-N 0 3 233.311 1.861 20 10 BDCDHN C[C@]12COC[C@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000827284724 587375332 /nfs/dbraw/zinc/37/53/32/587375332.db2.gz VWWDKNPTSINGSL-OCCSQVGLSA-N 0 3 233.311 1.861 20 10 BDCDHN C[C@]12COC[C@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000827284724 587375333 /nfs/dbraw/zinc/37/53/33/587375333.db2.gz VWWDKNPTSINGSL-OCCSQVGLSA-N 0 3 233.311 1.861 20 10 BDCDHN Cc1ccc(O)c(CN2CCCN(C=O)CC2)c1 ZINC000827872496 587406162 /nfs/dbraw/zinc/40/61/62/587406162.db2.gz VYCBJVZOCJEVTF-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1cnc(CC[NH2+]Cc2ccccc2[O-])cn1 ZINC000835061499 587779805 /nfs/dbraw/zinc/77/98/05/587779805.db2.gz MDSUBWSHOFHFON-UHFFFAOYSA-N 0 3 243.310 1.823 20 10 BDCDHN Cc1cccc(C[NH2+][C@H](CN)C2CC2)c1[O-] ZINC000841028771 587936820 /nfs/dbraw/zinc/93/68/20/587936820.db2.gz RLYPBXPXTKBPFB-GFCCVEGCSA-N 0 3 220.316 1.528 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCCCN1 ZINC000841033625 587937342 /nfs/dbraw/zinc/93/73/42/587937342.db2.gz YCOUPOSMSUHCTF-NSHDSACASA-N 0 3 238.306 1.763 20 10 BDCDHN [O-]c1c(F)cccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841033625 587937344 /nfs/dbraw/zinc/93/73/44/587937344.db2.gz YCOUPOSMSUHCTF-NSHDSACASA-N 0 3 238.306 1.763 20 10 BDCDHN [O-]c1cccc(Cl)c1CN[C@@H]1CCC[NH2+]C1 ZINC000841043866 587939333 /nfs/dbraw/zinc/93/93/33/587939333.db2.gz YBUMHHTUYNGKDL-SECBINFHSA-N 0 3 240.734 1.887 20 10 BDCDHN CCOc1ccc(CN[C@@H]2CC[NH2+]C2)c([O-])c1 ZINC000841045417 587939470 /nfs/dbraw/zinc/93/94/70/587939470.db2.gz URSGMHLZNPNYPD-LLVKDONJSA-N 0 3 236.315 1.242 20 10 BDCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CN)c1[O-] ZINC000841061123 587941102 /nfs/dbraw/zinc/94/11/02/587941102.db2.gz VQHPHRTXVBTDJF-SSDOTTSWSA-N 0 3 244.722 1.491 20 10 BDCDHN C[C@@H](CN)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841064257 587941267 /nfs/dbraw/zinc/94/12/67/587941267.db2.gz WTJNFGVKZUVOLQ-ZETCQYMHSA-N 0 3 214.696 1.482 20 10 BDCDHN C[C@@H](C[NH3+])NCc1cc(Cl)ccc1[O-] ZINC000841064257 587941269 /nfs/dbraw/zinc/94/12/69/587941269.db2.gz WTJNFGVKZUVOLQ-ZETCQYMHSA-N 0 3 214.696 1.482 20 10 BDCDHN C[C@@H]1C[C@H](NCc2cccc(F)c2[O-])CC[NH2+]1 ZINC000841061166 587941897 /nfs/dbraw/zinc/94/18/97/587941897.db2.gz FRFTWNBXPGAIAV-MWLCHTKSSA-N 0 3 238.306 1.761 20 10 BDCDHN [O-]c1c(F)cccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841090363 587945937 /nfs/dbraw/zinc/94/59/37/587945937.db2.gz OJOXDCDMPDOOBK-LLVKDONJSA-N 0 3 238.306 1.763 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCCCNC1 ZINC000841090363 587945940 /nfs/dbraw/zinc/94/59/40/587945940.db2.gz OJOXDCDMPDOOBK-LLVKDONJSA-N 0 3 238.306 1.763 20 10 BDCDHN Cc1cc(Cl)cc(CN2CC[C@@H]([NH3+])C2)c1[O-] ZINC000843045452 588076227 /nfs/dbraw/zinc/07/62/27/588076227.db2.gz RCXYHQMLPWXHBY-LLVKDONJSA-N 0 3 240.734 1.887 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000846193117 588259663 /nfs/dbraw/zinc/25/96/63/588259663.db2.gz YWMIUNFAFKGXAJ-MXWKQRLJSA-N 0 3 248.326 1.615 20 10 BDCDHN C[C@H]([NH2+][C@@H](CO)CCF)c1cc(F)ccc1[O-] ZINC000846208311 588260135 /nfs/dbraw/zinc/26/01/35/588260135.db2.gz IGFCZLBSEFVSLV-WCBMZHEXSA-N 0 3 245.269 1.902 20 10 BDCDHN CCc1cccc(C[N@H+](C)[C@@H](C)CO)c1[O-] ZINC000848909908 588419059 /nfs/dbraw/zinc/41/90/59/588419059.db2.gz CNEADEASHCGXNO-JTQLQIEISA-N 0 3 223.316 1.767 20 10 BDCDHN CCc1cccc(C[N@@H+](C)[C@@H](C)CO)c1[O-] ZINC000848909908 588419060 /nfs/dbraw/zinc/41/90/60/588419060.db2.gz CNEADEASHCGXNO-JTQLQIEISA-N 0 3 223.316 1.767 20 10 BDCDHN CCc1cccc(C[NH+]2CC(CCO)C2)c1[O-] ZINC000848916327 588420078 /nfs/dbraw/zinc/42/00/78/588420078.db2.gz GHDKIDJYBDBENL-UHFFFAOYSA-N 0 3 235.327 1.769 20 10 BDCDHN CCc1cccc(CN2CC(CCO)C2)c1O ZINC000848916327 588420079 /nfs/dbraw/zinc/42/00/79/588420079.db2.gz GHDKIDJYBDBENL-UHFFFAOYSA-N 0 3 235.327 1.769 20 10 BDCDHN COc1ccc([O-])c(CNC2=[NH+]CCCN2C)c1 ZINC000849009041 588433894 /nfs/dbraw/zinc/43/38/94/588433894.db2.gz SPSUSZAOWPJDGK-UHFFFAOYSA-N 0 3 249.314 1.182 20 10 BDCDHN C[C@@H]1[NH2+]CC[C@H]1NCc1ccccc1[O-] ZINC000863486724 589293017 /nfs/dbraw/zinc/29/30/17/589293017.db2.gz DBVQSMBUFZRYDI-GXSJLCMTSA-N 0 3 206.289 1.232 20 10 BDCDHN C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])CN1 ZINC000863485161 589293187 /nfs/dbraw/zinc/29/31/87/589293187.db2.gz VOQLEKYPDSZJMO-ONGXEEELSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@H]1CC[C@H](NCc2cccc(F)c2[O-])C[NH2+]1 ZINC000863485161 589293188 /nfs/dbraw/zinc/29/31/88/589293188.db2.gz VOQLEKYPDSZJMO-ONGXEEELSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@@H](NC(=O)C(C)(C)N)c1ccccc1O ZINC000870988638 589706716 /nfs/dbraw/zinc/70/67/16/589706716.db2.gz VVJICLKYCUPWDT-MRVPVSSYSA-N 0 3 222.288 1.307 20 10 BDCDHN CCCOc1ccc(CNCCO)cc1C ZINC000873007783 589979210 /nfs/dbraw/zinc/97/92/10/589979210.db2.gz FNQPXZXCKGORHB-UHFFFAOYSA-N 0 3 223.316 1.866 20 10 BDCDHN Cc1ccc(CN(CC(N)=O)C(C)C)c(O)c1 ZINC000876539848 590212338 /nfs/dbraw/zinc/21/23/38/590212338.db2.gz RAGNNESGULCSSU-UHFFFAOYSA-N 0 3 236.315 1.396 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCO1 ZINC000876890088 590254027 /nfs/dbraw/zinc/25/40/27/590254027.db2.gz WVACMIWOMZWSEF-LLVKDONJSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCOC1 ZINC000877008167 590268667 /nfs/dbraw/zinc/26/86/67/590268667.db2.gz MCOVHMABDNXNEW-LLVKDONJSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCCn1cncn1 ZINC000877011551 590268799 /nfs/dbraw/zinc/26/87/99/590268799.db2.gz FRWQLAIWRVTJOR-UHFFFAOYSA-N 0 3 246.314 1.472 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCOC1 ZINC000877008168 590268887 /nfs/dbraw/zinc/26/88/87/590268887.db2.gz MCOVHMABDNXNEW-NSHDSACASA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@](C)(O)C2CC2)c([O-])c1 ZINC000877027259 590271196 /nfs/dbraw/zinc/27/11/96/590271196.db2.gz LXPUFCUPGKJEMY-AWEZNQCLSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[NH2+]CC2(O)CCC2)c([O-])c1 ZINC000877039769 590273407 /nfs/dbraw/zinc/27/34/07/590273407.db2.gz PTZHRHVPWOZLLI-UHFFFAOYSA-N 0 3 221.300 1.705 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000877058267 590275837 /nfs/dbraw/zinc/27/58/37/590275837.db2.gz WYBZCVAKMUFUIS-QWRGUYRKSA-N 0 3 223.316 1.807 20 10 BDCDHN CC[C@@H](O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877112831 590287457 /nfs/dbraw/zinc/28/74/57/590287457.db2.gz YLZZGKPLKONVQM-GFCCVEGCSA-N 0 3 223.316 1.951 20 10 BDCDHN CC[C@@](C)(CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877143378 590291506 /nfs/dbraw/zinc/29/15/06/590291506.db2.gz MVNFGJVZFGUEOU-ZDUSSCGKSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c([O-])c1 ZINC000877159602 590293777 /nfs/dbraw/zinc/29/37/77/590293777.db2.gz ZNVGXOKJRGIAFJ-WCQYABFASA-N 0 3 233.311 1.727 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000877184004 590298658 /nfs/dbraw/zinc/29/86/58/590298658.db2.gz JYSGMWKGCRDJID-VXGBXAGGSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000877184004 590298659 /nfs/dbraw/zinc/29/86/59/590298659.db2.gz JYSGMWKGCRDJID-VXGBXAGGSA-N 0 3 235.327 1.903 20 10 BDCDHN COC[C@H](C[NH2+]Cc1c(C)cccc1[O-])OC ZINC000877189186 590299220 /nfs/dbraw/zinc/29/92/20/590299220.db2.gz KXQRFCFDSHFDRC-NSHDSACASA-N 0 3 239.315 1.452 20 10 BDCDHN C[C@H](NC(=O)[C@@H]1CCCCN1)c1ccccc1O ZINC000877255858 590304215 /nfs/dbraw/zinc/30/42/15/590304215.db2.gz IQADWPAXNVLLBC-JQWIXIFHSA-N 0 3 248.326 1.712 20 10 BDCDHN CCNCC(=O)N[C@@H](C)c1ccccc1O ZINC000877256123 590304430 /nfs/dbraw/zinc/30/44/30/590304430.db2.gz NTDJDVQPIQWOBP-VIFPVBQESA-N 0 3 222.288 1.179 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CC1(CO)CC1 ZINC000877461393 590331248 /nfs/dbraw/zinc/33/12/48/590331248.db2.gz FINLKHHATPSHTC-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CC1(CO)CC1 ZINC000877461393 590331250 /nfs/dbraw/zinc/33/12/50/590331250.db2.gz FINLKHHATPSHTC-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c([O-])c1 ZINC000877468069 590334428 /nfs/dbraw/zinc/33/44/28/590334428.db2.gz YCMCPUSIMCDOAG-CMPLNLGQSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c([O-])c1 ZINC000877468069 590334430 /nfs/dbraw/zinc/33/44/30/590334430.db2.gz YCMCPUSIMCDOAG-CMPLNLGQSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000877485762 590338410 /nfs/dbraw/zinc/33/84/10/590338410.db2.gz GHVFELUUMLFOQX-ZDUSSCGKSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000877485762 590338413 /nfs/dbraw/zinc/33/84/13/590338413.db2.gz GHVFELUUMLFOQX-ZDUSSCGKSA-N 0 3 235.327 1.903 20 10 BDCDHN COc1ccc(C[NH2+][C@H](C)[C@H](C)OC)c([O-])c1 ZINC000877493867 590340612 /nfs/dbraw/zinc/34/06/12/590340612.db2.gz PRSUEIAYVYYFIK-ZJUUUORDSA-N 0 3 239.315 1.914 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CCCO ZINC000877499179 590341735 /nfs/dbraw/zinc/34/17/35/590341735.db2.gz MBNQDTFPOIJNBO-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CCCO ZINC000877499179 590341737 /nfs/dbraw/zinc/34/17/37/590341737.db2.gz MBNQDTFPOIJNBO-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN Cc1ccc(C[N@H+](C)CCC(N)=O)c([O-])c1 ZINC000877520673 590345893 /nfs/dbraw/zinc/34/58/93/590345893.db2.gz FAWKVYWFWBISLB-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CCC(N)=O)c([O-])c1 ZINC000877520673 590345895 /nfs/dbraw/zinc/34/58/95/590345895.db2.gz FAWKVYWFWBISLB-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c([O-])c1 ZINC000877547290 590352706 /nfs/dbraw/zinc/35/27/06/590352706.db2.gz SIWYJZDPLAGJLY-GXTWGEPZSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c([O-])c1 ZINC000877547290 590352709 /nfs/dbraw/zinc/35/27/09/590352709.db2.gz SIWYJZDPLAGJLY-GXTWGEPZSA-N 0 3 246.354 1.837 20 10 BDCDHN CCN1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])CC1=O ZINC000877567536 590362033 /nfs/dbraw/zinc/36/20/33/590362033.db2.gz NWDIFXVPPYNSOM-NSHDSACASA-N 0 3 248.326 1.411 20 10 BDCDHN CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877594946 590369885 /nfs/dbraw/zinc/36/98/85/590369885.db2.gz NHORIXABKCUYAG-ZDUSSCGKSA-N 0 3 248.326 1.411 20 10 BDCDHN CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877594946 590369887 /nfs/dbraw/zinc/36/98/87/590369887.db2.gz NHORIXABKCUYAG-ZDUSSCGKSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[N@@H+](C)[C@@H](C)CCO)c([O-])c1 ZINC000877615533 590375245 /nfs/dbraw/zinc/37/52/45/590375245.db2.gz SOWNAMNWWHHBIZ-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@H+](C)[C@@H](C)CCO)c([O-])c1 ZINC000877615533 590375248 /nfs/dbraw/zinc/37/52/48/590375248.db2.gz SOWNAMNWWHHBIZ-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C/C=C/CO ZINC000877624792 590376764 /nfs/dbraw/zinc/37/67/64/590376764.db2.gz RWSZOXLBBNWJBU-NSCUHMNNSA-N 0 3 207.273 1.339 20 10 BDCDHN CO[C@@]1(C[N@@H+]2Cc3cccc([O-])c3C2)CCOC1 ZINC000877702797 590396812 /nfs/dbraw/zinc/39/68/12/590396812.db2.gz HVPSRNLDXXZEIM-CQSZACIVSA-N 0 3 249.310 1.513 20 10 BDCDHN CO[C@@]1(C[N@H+]2Cc3cccc([O-])c3C2)CCOC1 ZINC000877702797 590396814 /nfs/dbraw/zinc/39/68/14/590396814.db2.gz HVPSRNLDXXZEIM-CQSZACIVSA-N 0 3 249.310 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811452 590427088 /nfs/dbraw/zinc/42/70/88/590427088.db2.gz KSIVEDUMGBWBTR-XYPYZODXSA-N 0 3 221.300 1.561 20 10 BDCDHN CCOc1cccc(C[NH2+][C@@H]2CCOC2)c1[O-] ZINC000131159829 591561538 /nfs/dbraw/zinc/56/15/38/591561538.db2.gz LXOCWNOPANIRLM-LLVKDONJSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCOC2)c1 ZINC000131191879 591566216 /nfs/dbraw/zinc/56/62/16/591566216.db2.gz NPVIULSMWWYILP-UWVGGRQHSA-N 0 3 237.299 1.840 20 10 BDCDHN CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccccc1[O-] ZINC000136101042 592094044 /nfs/dbraw/zinc/09/40/44/592094044.db2.gz XFJLXWAYNKYDFC-MWLCHTKSSA-N 0 3 236.315 1.697 20 10 BDCDHN c1cc(CNC2COCCOC2)cc2c1OCC2 ZINC000310797412 632987355 /nfs/dbraw/zinc/98/73/55/632987355.db2.gz FYCNZZQLGQQGLA-UHFFFAOYSA-N 0 3 249.310 1.127 20 10 BDCDHN C[C@H]([NH2+]CC1(O)CCC1)c1ccccc1[O-] ZINC000162199686 633023490 /nfs/dbraw/zinc/02/34/90/633023490.db2.gz NALCOSLGZHQEIT-JTQLQIEISA-N 0 3 221.300 1.958 20 10 BDCDHN COc1ccc(C[NH2+]CC2(F)CC2)c([O-])c1 ZINC000309848951 633841053 /nfs/dbraw/zinc/84/10/53/633841053.db2.gz IENJPIQXWRJHAY-UHFFFAOYSA-N 0 3 225.263 1.993 20 10 BDCDHN C[C@@H](O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609658 640778433 /nfs/dbraw/zinc/77/84/33/640778433.db2.gz GFGREOGAZQLDMR-MRVPVSSYSA-N 0 3 213.252 1.392 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCOC1 ZINC000226617176 640780436 /nfs/dbraw/zinc/78/04/36/640780436.db2.gz TYVYAMIOPLAGBC-SNVBAGLBSA-N 0 3 211.236 1.410 20 10 BDCDHN O=C1C[C@H]([NH2+]Cc2ccccc2[O-])CCCN1 ZINC000228415498 640874161 /nfs/dbraw/zinc/87/41/61/640874161.db2.gz CHBZKUSBUJUVSO-LLVKDONJSA-N 0 3 234.299 1.151 20 10 BDCDHN COCCN(C)CC[NH2+]Cc1ccccc1[O-] ZINC000061375063 640957209 /nfs/dbraw/zinc/95/72/09/640957209.db2.gz KXEDXOKLTACQLN-UHFFFAOYSA-N 0 3 238.331 1.060 20 10 BDCDHN COc1ccc(O)c(CNCc2c[nH]cn2)c1 ZINC000078749253 641950822 /nfs/dbraw/zinc/95/08/22/641950822.db2.gz HRWJRGWRGMJLMJ-UHFFFAOYSA-N 0 3 233.271 1.414 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(CO)CCC1 ZINC000183233134 643098440 /nfs/dbraw/zinc/09/84/40/643098440.db2.gz BAKVLZZWXNHWQQ-UHFFFAOYSA-N 0 3 239.290 1.784 20 10 BDCDHN CC(=O)NCCN(C)Cc1cc(F)ccc1O ZINC000308320683 711521957 /nfs/dbraw/zinc/52/19/57/711521957.db2.gz YIEVKUXWHASGPG-UHFFFAOYSA-N 0 3 240.278 1.099 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(F)ccc1[O-] ZINC000094617857 644721699 /nfs/dbraw/zinc/72/16/99/644721699.db2.gz QZUUWIWSDVNAGL-GXSJLCMTSA-N 0 3 238.306 1.886 20 10 BDCDHN C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000926984191 645507746 /nfs/dbraw/zinc/50/77/46/645507746.db2.gz DULLJUICYDUKEE-WDEREUQCSA-N 0 3 248.326 1.569 20 10 BDCDHN CCNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036780473 712494935 /nfs/dbraw/zinc/49/49/35/712494935.db2.gz KKCJHKFFJXGGRK-VIFPVBQESA-N 0 3 222.288 1.179 20 10 BDCDHN COc1ccc(C[NH2+]Cc2cn[nH]c2)c([O-])c1 ZINC000040906783 711482962 /nfs/dbraw/zinc/48/29/62/711482962.db2.gz YLGREPNXQNMEKA-UHFFFAOYSA-N 0 3 233.271 1.414 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724948574 711633260 /nfs/dbraw/zinc/63/32/60/711633260.db2.gz ZDIJRXXFESMSFQ-YDGIUTOCSA-N 0 3 219.284 1.395 20 10 BDCDHN COC[C@@H](C[N@H+](C)Cc1ccccc1[O-])OC ZINC000701148629 712016863 /nfs/dbraw/zinc/01/68/63/712016863.db2.gz XMLXBIXZBRNLCS-GFCCVEGCSA-N 0 3 239.315 1.485 20 10 BDCDHN COC[C@@H](C[N@@H+](C)Cc1ccccc1[O-])OC ZINC000701148629 712016864 /nfs/dbraw/zinc/01/68/64/712016864.db2.gz XMLXBIXZBRNLCS-GFCCVEGCSA-N 0 3 239.315 1.485 20 10 BDCDHN NC(=O)C1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000037152294 712547826 /nfs/dbraw/zinc/54/78/26/712547826.db2.gz FQCTZYAFMJWDBG-UHFFFAOYSA-N 0 3 248.326 1.526 20 10 BDCDHN CC[C@H]([NH2+]C/C=C/CO)c1ccccc1[O-] ZINC000717533784 712660719 /nfs/dbraw/zinc/66/07/19/712660719.db2.gz ZNXRWDODVZPDFP-FYJFLYSWSA-N 0 3 221.300 1.981 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CC2COC2)c([O-])c1 ZINC001140950905 960759590 /nfs/dbraw/zinc/75/95/90/960759590.db2.gz OPKPORHQFKZMMI-UHFFFAOYSA-N 0 3 221.300 1.779 20 10 BDCDHN C[C@]1(CO)CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550239 966682873 /nfs/dbraw/zinc/68/28/73/966682873.db2.gz NUTHIZZOTUERLT-ZDUSSCGKSA-N 0 3 221.300 1.597 20 10 BDCDHN C[C@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550239 966682882 /nfs/dbraw/zinc/68/28/82/966682882.db2.gz NUTHIZZOTUERLT-ZDUSSCGKSA-N 0 3 221.300 1.597 20 10 BDCDHN C[C@@H]1CCN1Cc1cc(O)c(O)cc1O ZINC001233483249 978613959 /nfs/dbraw/zinc/61/39/59/978613959.db2.gz SDPYOZYJAONYKK-SSDOTTSWSA-N 0 3 209.245 1.398 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(O)C2)c1[O-] ZINC001238064747 980132046 /nfs/dbraw/zinc/13/20/46/980132046.db2.gz QGUAJOZTIJWCGU-ZDUSSCGKSA-N 0 3 239.290 1.796 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@](C)(O)C2)c1[O-] ZINC001238064747 980132050 /nfs/dbraw/zinc/13/20/50/980132050.db2.gz QGUAJOZTIJWCGU-ZDUSSCGKSA-N 0 3 239.290 1.796 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000877607928 983956485 /nfs/dbraw/zinc/95/64/85/983956485.db2.gz OBFIIFDQGUOLJU-WDEREUQCSA-N 0 3 221.300 1.968 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000316032019 972259632 /nfs/dbraw/zinc/25/96/32/972259632.db2.gz VABWYEDLKJGOFS-ZDUSSCGKSA-N 0 3 221.300 1.643 20 10 BDCDHN Cc1c(O)ccc(CN2CC[C@@]23CCOC3)c1O ZINC001140749966 960548076 /nfs/dbraw/zinc/54/80/76/960548076.db2.gz QGGMOSZTDUABQL-AWEZNQCLSA-N 0 3 249.310 1.771 20 10 BDCDHN COc1cc(O)c(CN(C)C)c(OC)c1 ZINC001141031295 960821770 /nfs/dbraw/zinc/82/17/70/960821770.db2.gz BTAQBVIDDSVNHT-UHFFFAOYSA-N 0 3 211.261 1.471 20 10 BDCDHN COc1cc([O-])c(C[NH+](C)C)c(OC)c1 ZINC001141031295 960821783 /nfs/dbraw/zinc/82/17/83/960821783.db2.gz BTAQBVIDDSVNHT-UHFFFAOYSA-N 0 3 211.261 1.471 20 10 BDCDHN [NH3+][C@]12C[C@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC001236024255 966235690 /nfs/dbraw/zinc/23/56/90/966235690.db2.gz ILDRQCXHCJSXGP-UFBFGSQYSA-N 0 3 238.718 1.579 20 10 BDCDHN NC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203547211 966685406 /nfs/dbraw/zinc/68/54/06/966685406.db2.gz IXUUSZOLHSIQQB-UHFFFAOYSA-N 0 3 249.314 1.025 20 10 BDCDHN C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]12 ZINC001203558590 966687796 /nfs/dbraw/zinc/68/77/96/966687796.db2.gz OEGBKRMDYSECFZ-MPKXVKKWSA-N 0 3 233.311 1.859 20 10 BDCDHN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]12 ZINC001203558590 966687814 /nfs/dbraw/zinc/68/78/14/966687814.db2.gz OEGBKRMDYSECFZ-MPKXVKKWSA-N 0 3 233.311 1.859 20 10 BDCDHN COc1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001203621506 966709890 /nfs/dbraw/zinc/70/98/90/966709890.db2.gz WMJKAWFQNVQJGU-UHFFFAOYSA-N 0 3 249.310 1.358 20 10 BDCDHN Oc1ccc(CN2CC(N3CCCC3)C2)c(O)c1 ZINC001204274559 966950226 /nfs/dbraw/zinc/95/02/26/966950226.db2.gz FFTWTHTXTUUNJC-UHFFFAOYSA-N 0 3 248.326 1.378 20 10 BDCDHN Oc1ccc(CN2CCN(C3CC3)CC2)c(O)c1 ZINC001204272527 966950549 /nfs/dbraw/zinc/95/05/49/966950549.db2.gz PJDMPFZUXBBCLT-UHFFFAOYSA-N 0 3 248.326 1.378 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC[C@H]1CO ZINC001204273085 966953423 /nfs/dbraw/zinc/95/34/23/966953423.db2.gz XFWASULINMCHLH-NSHDSACASA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC[C@H]1CO ZINC001204273085 966953429 /nfs/dbraw/zinc/95/34/29/966953429.db2.gz XFWASULINMCHLH-NSHDSACASA-N 0 3 237.299 1.445 20 10 BDCDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@H]1CCCOC1 ZINC001204281721 966958934 /nfs/dbraw/zinc/95/89/34/966958934.db2.gz HGUFHVAPDMHEDK-NSHDSACASA-N 0 3 237.299 1.709 20 10 BDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@H]1CCCOC1 ZINC001204281721 966958939 /nfs/dbraw/zinc/95/89/39/966958939.db2.gz HGUFHVAPDMHEDK-NSHDSACASA-N 0 3 237.299 1.709 20 10 BDCDHN COc1ccc(C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)c([O-])c1 ZINC001205517272 967660249 /nfs/dbraw/zinc/66/02/49/967660249.db2.gz LPTDQWNOHUOFRE-WXHSDQCUSA-N 0 3 249.310 1.525 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](C)O ZINC001251962600 968401404 /nfs/dbraw/zinc/40/14/04/968401404.db2.gz IUGGZMVUDFBUSD-JTQLQIEISA-N 0 3 209.289 1.595 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](C)O ZINC001251962600 968401409 /nfs/dbraw/zinc/40/14/09/968401409.db2.gz IUGGZMVUDFBUSD-JTQLQIEISA-N 0 3 209.289 1.595 20 10 BDCDHN COC(=O)[C@@H](C)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001208723161 969210061 /nfs/dbraw/zinc/21/00/61/969210061.db2.gz MQFTXVNPVPZLIN-JTQLQIEISA-N 0 3 249.310 1.559 20 10 BDCDHN COC(=O)[C@@H](C)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001208723161 969210068 /nfs/dbraw/zinc/21/00/68/969210068.db2.gz MQFTXVNPVPZLIN-JTQLQIEISA-N 0 3 249.310 1.559 20 10 BDCDHN COc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)c([O-])c1 ZINC000402008146 970755391 /nfs/dbraw/zinc/75/53/91/970755391.db2.gz AHVRCDDEPMPJDJ-MWLCHTKSSA-N 0 3 237.299 1.668 20 10 BDCDHN Oc1cc(O)c(CN2CC[C@@H](F)C2)c(O)c1 ZINC001144504076 972850264 /nfs/dbraw/zinc/85/02/64/972850264.db2.gz KXLJQDCXIPYFOE-SSDOTTSWSA-N 0 3 227.235 1.347 20 10 BDCDHN Cc1cc(C)c(CN2CCC[C@H]2C(N)=O)c(O)c1 ZINC001231841963 977764111 /nfs/dbraw/zinc/76/41/11/977764111.db2.gz KKTXWGPABYAJGC-LBPRGKRZSA-N 0 3 248.326 1.459 20 10 BDCDHN CC(C)N1CC[C@@H](NCc2ccc(N)cc2)C1=O ZINC001337837453 978520139 /nfs/dbraw/zinc/52/01/39/978520139.db2.gz BJNMPWWNQQUYDJ-CYBMUJFWSA-N 0 3 247.342 1.368 20 10 BDCDHN Oc1cc(O)c(CN2CCC[C@H]3C[C@H]32)cc1O ZINC001233486890 978611285 /nfs/dbraw/zinc/61/12/85/978611285.db2.gz HJHDCIWHCLQMHM-WCBMZHEXSA-N 0 3 235.283 1.788 20 10 BDCDHN COc1cccc(CN2CCN3CC[C@H]3C2)c1O ZINC001203601978 980150289 /nfs/dbraw/zinc/15/02/89/980150289.db2.gz UOXDEECYYKUSHA-LBPRGKRZSA-N 0 3 248.326 1.291 20 10 BDCDHN Oc1ccc(CN2CC[C@]3(CCOC3)C2)cc1O ZINC001203875751 982557377 /nfs/dbraw/zinc/55/73/77/982557377.db2.gz UEOYJYZDTLXILH-AWEZNQCLSA-N 0 3 249.310 1.710 20 10 BDCDHN CCn1nccc1CNCc1ccc(N)cc1 ZINC001352789464 982582147 /nfs/dbraw/zinc/58/21/47/982582147.db2.gz KDRCEUROLNZFRL-UHFFFAOYSA-N 0 3 230.315 1.775 20 10 BDCDHN CO[C@@H](C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC001474677778 987798526 /nfs/dbraw/zinc/79/85/26/987798526.db2.gz WCWWKJBFZZUKMV-VIFPVBQESA-N 0 3 207.273 1.743 20 10 BDCDHN CO[C@@H](C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC001474677778 987798529 /nfs/dbraw/zinc/79/85/29/987798529.db2.gz WCWWKJBFZZUKMV-VIFPVBQESA-N 0 3 207.273 1.743 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC001202897648 991157627 /nfs/dbraw/zinc/15/76/27/991157627.db2.gz BBFMPOXKERQKJC-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC001202897648 991157643 /nfs/dbraw/zinc/15/76/43/991157643.db2.gz BBFMPOXKERQKJC-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1[O-] ZINC000195006936 136221280 /nfs/dbraw/zinc/22/12/80/136221280.db2.gz CNFIXMGENJSMPG-JOYOIKCWSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cccc(CN[C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000195006936 136221281 /nfs/dbraw/zinc/22/12/81/136221281.db2.gz CNFIXMGENJSMPG-JOYOIKCWSA-N 0 3 248.326 1.315 20 10 BDCDHN CC[C@H]([NH2+][C@@H](C)C(=O)NC)c1ccccc1[O-] ZINC000042560613 343443934 /nfs/dbraw/zinc/44/39/34/343443934.db2.gz GMEZAELQMJKUES-ONGXEEELSA-N 0 3 236.315 1.567 20 10 BDCDHN COC[C@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000045655969 344575802 /nfs/dbraw/zinc/57/58/02/344575802.db2.gz IFNALPYDBKWDBG-SNVBAGLBSA-N 0 3 209.289 1.764 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c1[O-] ZINC000194536080 179083929 /nfs/dbraw/zinc/08/39/29/179083929.db2.gz FSXVVPGYUGRVJE-OKILXGFUSA-N 0 3 246.354 1.694 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c1[O-] ZINC000194536080 179083930 /nfs/dbraw/zinc/08/39/30/179083930.db2.gz FSXVVPGYUGRVJE-OKILXGFUSA-N 0 3 246.354 1.694 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1[O-] ZINC000187987391 179093926 /nfs/dbraw/zinc/09/39/26/179093926.db2.gz BVFAMUXVBMKLCW-WCQYABFASA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000163729452 179094720 /nfs/dbraw/zinc/09/47/20/179094720.db2.gz PHTIJEIQRXKHCP-NSHDSACASA-N 0 3 222.332 1.740 20 10 BDCDHN NC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179582769 181243359 /nfs/dbraw/zinc/24/33/59/181243359.db2.gz KPPBSRBTRZUHMY-NSHDSACASA-N 0 3 248.326 1.480 20 10 BDCDHN NC(=O)C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179582769 181243362 /nfs/dbraw/zinc/24/33/62/181243362.db2.gz KPPBSRBTRZUHMY-NSHDSACASA-N 0 3 248.326 1.480 20 10 BDCDHN NC(=O)[C@@H]1CCCCN1Cc1ccccc1O ZINC000179553374 181268221 /nfs/dbraw/zinc/26/82/21/181268221.db2.gz NCDJOEODXNQVSW-NSHDSACASA-N 0 3 234.299 1.232 20 10 BDCDHN [NH2+]=C(NCc1ccccc1[O-])NC1CCCC1 ZINC000066245225 368642256 /nfs/dbraw/zinc/64/22/56/368642256.db2.gz ZMRUZBRZMLOJAJ-UHFFFAOYSA-N 0 3 233.315 1.949 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@]1(CCO)CCOC1 ZINC000278502761 183094898 /nfs/dbraw/zinc/09/48/98/183094898.db2.gz ODLAHFIZERTMJR-CYBMUJFWSA-N 0 3 237.299 1.023 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000179871529 183274583 /nfs/dbraw/zinc/27/45/83/183274583.db2.gz JKORSLQFZOMKQX-NSHDSACASA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](O)C1 ZINC000179871529 183274585 /nfs/dbraw/zinc/27/45/85/183274585.db2.gz JKORSLQFZOMKQX-NSHDSACASA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCC1(O)CCC1 ZINC000283815709 183302482 /nfs/dbraw/zinc/30/24/82/183302482.db2.gz CCPZJRVEJFAUPH-UHFFFAOYSA-N 0 3 221.300 1.787 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000084228022 183303834 /nfs/dbraw/zinc/30/38/34/183303834.db2.gz LOJOXOOXHQVLSA-YPMHNXCESA-N 0 3 221.300 1.643 20 10 BDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@H](C)O ZINC000194949269 169178911 /nfs/dbraw/zinc/17/89/11/169178911.db2.gz DGHLEDRPVCJGIE-NSHDSACASA-N 0 3 223.316 1.985 20 10 BDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@H](C)O ZINC000194949269 169178913 /nfs/dbraw/zinc/17/89/13/169178913.db2.gz DGHLEDRPVCJGIE-NSHDSACASA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@H](O)CC[NH2+]Cc1ccccc1[O-] ZINC000131701964 383836783 /nfs/dbraw/zinc/83/67/83/383836783.db2.gz MTOUGAIKRSRFFX-NSHDSACASA-N 0 3 209.289 1.643 20 10 BDCDHN CCOCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000036228292 383886285 /nfs/dbraw/zinc/88/62/85/383886285.db2.gz BGPGEKFDOMCOIZ-UHFFFAOYSA-N 0 3 225.288 1.527 20 10 BDCDHN Cn1cc(CC[NH2+]Cc2ccccc2[O-])cn1 ZINC000112017372 383889234 /nfs/dbraw/zinc/88/92/34/383889234.db2.gz XRCZGRDYZIWRMP-UHFFFAOYSA-N 0 3 231.299 1.458 20 10 BDCDHN COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000070589893 384121276 /nfs/dbraw/zinc/12/12/76/384121276.db2.gz GCLLXKUDJSCVBT-ZJUUUORDSA-N 0 3 225.288 1.050 20 10 BDCDHN CCOCC[NH2+]Cc1cc(C)ccc1[O-] ZINC000070955209 384142782 /nfs/dbraw/zinc/14/27/82/384142782.db2.gz LPXHDOSPZSJHQO-UHFFFAOYSA-N 0 3 209.289 1.827 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)N(C)C)c1 ZINC000070955268 384142950 /nfs/dbraw/zinc/14/29/50/384142950.db2.gz LGBBPDOMHHELPT-LLVKDONJSA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000160619148 384421246 /nfs/dbraw/zinc/42/12/46/384421246.db2.gz YSQHYYMFBDYLQH-SNVBAGLBSA-N 0 3 223.316 1.950 20 10 BDCDHN C[C@@H](CCO)C[NH2+]Cc1ccccc1[O-] ZINC000085126585 384491808 /nfs/dbraw/zinc/49/18/08/384491808.db2.gz GSUKVNRPUJPEKI-JTQLQIEISA-N 0 3 209.289 1.500 20 10 BDCDHN C[C@@H]([NH2+]CCOCCO)c1ccccc1[O-] ZINC000020198665 384594974 /nfs/dbraw/zinc/59/49/74/384594974.db2.gz PBTPIRZNGQDKSH-SNVBAGLBSA-N 0 3 225.288 1.052 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000083216053 384751419 /nfs/dbraw/zinc/75/14/19/384751419.db2.gz XZLJDFQLWLQPHY-GHMZBOCLSA-N 0 3 223.316 1.980 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](CCO)C2CC2)c1 ZINC000128125875 384997589 /nfs/dbraw/zinc/99/75/89/384997589.db2.gz LPPCKAYXIRRPCP-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](CCO)C2CC2)c1 ZINC000128125875 384997595 /nfs/dbraw/zinc/99/75/95/384997595.db2.gz LPPCKAYXIRRPCP-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN COC(=O)C1(C[NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000188668223 385073979 /nfs/dbraw/zinc/07/39/79/385073979.db2.gz WTJZZNUVWUUFOS-UHFFFAOYSA-N 0 3 249.310 1.743 20 10 BDCDHN C[C@@]1(O)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179578399 385476295 /nfs/dbraw/zinc/47/62/95/385476295.db2.gz JGJLSSFIQJVNQB-CYBMUJFWSA-N 0 3 221.300 1.739 20 10 BDCDHN C[C@@]1(O)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179578399 385476296 /nfs/dbraw/zinc/47/62/96/385476296.db2.gz JGJLSSFIQJVNQB-CYBMUJFWSA-N 0 3 221.300 1.739 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC(C)(C)O ZINC000180156868 385509645 /nfs/dbraw/zinc/50/96/45/385509645.db2.gz LTBBRUSOUYPGGS-UHFFFAOYSA-N 0 3 227.279 1.734 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC(C)(C)O ZINC000180156868 385509647 /nfs/dbraw/zinc/50/96/47/385509647.db2.gz LTBBRUSOUYPGGS-UHFFFAOYSA-N 0 3 227.279 1.734 20 10 BDCDHN COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000180195746 385511456 /nfs/dbraw/zinc/51/14/56/385511456.db2.gz LUBIUSZYQRYTRW-LBPRGKRZSA-N 0 3 249.310 1.920 20 10 BDCDHN COC(=O)C[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000180195746 385511459 /nfs/dbraw/zinc/51/14/59/385511459.db2.gz LUBIUSZYQRYTRW-LBPRGKRZSA-N 0 3 249.310 1.920 20 10 BDCDHN CC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000229970515 385695885 /nfs/dbraw/zinc/69/58/85/385695885.db2.gz ATUQDPYVNRMQIP-WPRPVWTQSA-N 0 3 227.279 1.953 20 10 BDCDHN C[C@@H]([NH2+]CC1(C)OCCO1)c1ccccc1[O-] ZINC000183634980 385780844 /nfs/dbraw/zinc/78/08/44/385780844.db2.gz UGZXZNAWYNRMJK-SNVBAGLBSA-N 0 3 237.299 1.806 20 10 BDCDHN COC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271066201 385781247 /nfs/dbraw/zinc/78/12/47/385781247.db2.gz CJTAKLVXLFAVJP-NSHDSACASA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271066201 385781253 /nfs/dbraw/zinc/78/12/53/385781253.db2.gz CJTAKLVXLFAVJP-NSHDSACASA-N 0 3 249.310 1.696 20 10 BDCDHN C[C@@H](CCO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226612573 386343323 /nfs/dbraw/zinc/34/33/23/386343323.db2.gz KNSLVBRWMDSYDU-VIFPVBQESA-N 0 3 227.279 1.639 20 10 BDCDHN C[C@H](O)C(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618407 386343799 /nfs/dbraw/zinc/34/37/99/386343799.db2.gz LTXTZZCFPXLWFP-QMMMGPOBSA-N 0 3 227.279 1.780 20 10 BDCDHN COC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228793919 386617720 /nfs/dbraw/zinc/61/77/20/386617720.db2.gz SPWVTWJNSOXVAH-QWRGUYRKSA-N 0 3 239.315 1.440 20 10 BDCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)N(C)C ZINC000191805499 387309581 /nfs/dbraw/zinc/30/95/81/387309581.db2.gz KZXHCEFHDUMGKR-QMMMGPOBSA-N 0 3 240.278 1.098 20 10 BDCDHN COC[C@H](CO)NCc1ccc(OC)c(C)c1 ZINC000234793151 387317554 /nfs/dbraw/zinc/31/75/54/387317554.db2.gz XKLFFSVHHRQAQA-LBPRGKRZSA-N 0 3 239.315 1.101 20 10 BDCDHN C[C@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610783 388724126 /nfs/dbraw/zinc/72/41/26/388724126.db2.gz HIZCABKDXDERCD-MRVPVSSYSA-N 0 3 213.252 1.392 20 10 BDCDHN CC1(C)[C@H](NCc2ccc3c(c2)CCO3)C[C@@H]1O ZINC000129577972 168001112 /nfs/dbraw/zinc/00/11/12/168001112.db2.gz ZCALMRZPUBUJTQ-KGLIPLIRSA-N 0 3 247.338 1.871 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@H]1O ZINC000271407542 171087175 /nfs/dbraw/zinc/08/71/75/171087175.db2.gz WZSGUNHIKIWNIY-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@H]1O ZINC000271407542 171087178 /nfs/dbraw/zinc/08/71/78/171087178.db2.gz WZSGUNHIKIWNIY-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@](C)(CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000080886383 171170091 /nfs/dbraw/zinc/17/00/91/171170091.db2.gz TWPRLAVIYIFZAK-ZDUSSCGKSA-N 0 3 239.315 1.651 20 10 BDCDHN CC[C@H](C(N)=O)N(C)Cc1ccccc1O ZINC000109770437 171243438 /nfs/dbraw/zinc/24/34/38/171243438.db2.gz OLBXDVSSQBLNJF-SNVBAGLBSA-N 0 3 222.288 1.088 20 10 BDCDHN CC[C@H](C)[C@H](N)C(=O)NCc1ccc(N)cc1 ZINC000083362626 171395462 /nfs/dbraw/zinc/39/54/62/171395462.db2.gz RVLJXOCVKMIDBW-CABZTGNLSA-N 0 3 235.331 1.258 20 10 BDCDHN CC[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111340 171452414 /nfs/dbraw/zinc/45/24/14/171452414.db2.gz COJWEHCPVQVWFR-WCBMZHEXSA-N 0 3 227.279 1.953 20 10 BDCDHN CN(C)C(=O)CCNCc1ccc2c(c1)CCO2 ZINC000037752111 172360394 /nfs/dbraw/zinc/36/03/94/172360394.db2.gz POJLPSBLUCAGSP-UHFFFAOYSA-N 0 3 248.326 1.189 20 10 BDCDHN CN(C)C(C)(C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582296 172395324 /nfs/dbraw/zinc/39/53/24/172395324.db2.gz ITNXTSSWSXVFAL-UHFFFAOYSA-N 0 3 240.322 1.961 20 10 BDCDHN CN(C)c1ccc(CN[C@@H]2CCOC2)cc1 ZINC000070964843 172554371 /nfs/dbraw/zinc/55/43/71/172554371.db2.gz SYBZZUMJRBHEKN-GFCCVEGCSA-N 0 3 220.316 1.631 20 10 BDCDHN CN1C[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000297509524 173186996 /nfs/dbraw/zinc/18/69/96/173186996.db2.gz CLBFIDQYEITBBP-QWRGUYRKSA-N 0 3 246.310 1.200 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)CC(C)(C)O)c1 ZINC000271878200 175158095 /nfs/dbraw/zinc/15/80/95/175158095.db2.gz UKDQHGYYNBXZOY-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)CC(C)(C)O)c1 ZINC000271878200 175158096 /nfs/dbraw/zinc/15/80/96/175158096.db2.gz UKDQHGYYNBXZOY-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CCOC(C)C)c1 ZINC000168956049 175158674 /nfs/dbraw/zinc/15/86/74/175158674.db2.gz RGJLJRNEKZOBEK-UHFFFAOYSA-N 0 3 239.315 1.915 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCN(C)C2)c1 ZINC000042545250 175158787 /nfs/dbraw/zinc/15/87/87/175158787.db2.gz MOQWQIYSHSIMTC-NSHDSACASA-N 0 3 236.315 1.195 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000290941387 175159026 /nfs/dbraw/zinc/15/90/26/175159026.db2.gz PXTOBBFHUTZBGK-NXEZZACHSA-N 0 3 239.315 1.914 20 10 BDCDHN COc1ccc(O)c(CN[C@@H](C)c2cn[nH]c2)c1 ZINC000224935422 175159570 /nfs/dbraw/zinc/15/95/70/175159570.db2.gz AVERPQRYTUTPMX-VIFPVBQESA-N 0 3 247.298 1.975 20 10 BDCDHN COc1cccc(C[N@H+](C)[C@@H](C)CO)c1[O-] ZINC000289454036 175255425 /nfs/dbraw/zinc/25/54/25/175255425.db2.gz NOSJZYNRDPJJKG-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN COc1cccc(C[N@@H+](C)[C@@H](C)CO)c1[O-] ZINC000289454036 175255427 /nfs/dbraw/zinc/25/54/27/175255427.db2.gz NOSJZYNRDPJJKG-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN COc1cccc(C[NH2+]CC2=CCCOC2)c1[O-] ZINC000288499101 175263583 /nfs/dbraw/zinc/26/35/83/175263583.db2.gz RPUDZADEZYDQJP-UHFFFAOYSA-N 0 3 249.310 1.837 20 10 BDCDHN COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1[O-] ZINC000152942126 175266593 /nfs/dbraw/zinc/26/65/93/175266593.db2.gz AIEUIAKITOEFJA-UTUOFQBUSA-N 0 3 249.310 1.810 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2CCCOC2)c1[O-] ZINC000109543595 175267746 /nfs/dbraw/zinc/26/77/46/175267746.db2.gz AGHJHHRDMGKAPF-NSHDSACASA-N 0 3 237.299 1.669 20 10 BDCDHN C[C@@H]1COCC[N@H+](Cc2ccccc2[O-])C1 ZINC000369450280 176332334 /nfs/dbraw/zinc/33/23/34/176332334.db2.gz CJGUVPJQMVVUJQ-NSHDSACASA-N 0 3 221.300 1.861 20 10 BDCDHN C[C@@H]1COCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000369450280 176332337 /nfs/dbraw/zinc/33/23/37/176332337.db2.gz CJGUVPJQMVVUJQ-NSHDSACASA-N 0 3 221.300 1.861 20 10 BDCDHN C[C@H]1CN(Cc2cc(Cl)ccc2[O-])CC[NH2+]1 ZINC000083368863 177260079 /nfs/dbraw/zinc/26/00/79/177260079.db2.gz NMMDMEAHCWQPCY-VIFPVBQESA-N 0 3 240.734 1.839 20 10 BDCDHN [O-]c1c(F)cccc1CNCC12CC(C1)C[NH2+]2 ZINC000853246016 588728585 /nfs/dbraw/zinc/72/85/85/588728585.db2.gz GVCUNLWUPFEDLP-UHFFFAOYSA-N 0 3 236.290 1.373 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+]CC12CC(C1)CN2 ZINC000853246016 588728586 /nfs/dbraw/zinc/72/85/86/588728586.db2.gz GVCUNLWUPFEDLP-UHFFFAOYSA-N 0 3 236.290 1.373 20 10 BDCDHN CCOc1ccc(CN[C@H](C)C[NH2+]C)c([O-])c1 ZINC000853248658 588728983 /nfs/dbraw/zinc/72/89/83/588728983.db2.gz IEIWEMUKPUPGHA-SNVBAGLBSA-N 0 3 238.331 1.488 20 10 BDCDHN CC(=O)NCCC[N@@H+](C)Cc1ccccc1[O-] ZINC000111235784 588731364 /nfs/dbraw/zinc/73/13/64/588731364.db2.gz UMFWPXBENRNZTN-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN CC(=O)NCCC[N@H+](C)Cc1ccccc1[O-] ZINC000111235784 588731365 /nfs/dbraw/zinc/73/13/65/588731365.db2.gz UMFWPXBENRNZTN-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000854231103 588779745 /nfs/dbraw/zinc/77/97/45/588779745.db2.gz DTCFXQOFXRBPGM-RKDXNWHRSA-N 0 3 226.295 1.790 20 10 BDCDHN CNC[C@@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000854231103 588779746 /nfs/dbraw/zinc/77/97/46/588779746.db2.gz DTCFXQOFXRBPGM-RKDXNWHRSA-N 0 3 226.295 1.790 20 10 BDCDHN COCC[C@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000112018149 588780268 /nfs/dbraw/zinc/78/02/68/588780268.db2.gz QYDBBYNGCVVGNN-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN COc1ccc(O)c(CNCc2cncn2C)c1 ZINC000114505712 588874911 /nfs/dbraw/zinc/87/49/11/588874911.db2.gz KCVZXAJCFUIPQD-UHFFFAOYSA-N 0 3 247.298 1.424 20 10 BDCDHN COc1cc(C)cc(CN2CC[C@H](O)C2)c1O ZINC000893947512 583259413 /nfs/dbraw/zinc/25/94/13/583259413.db2.gz XCYUNOWQOYUPKE-NSHDSACASA-N 0 3 237.299 1.276 20 10 BDCDHN CO[C@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877465311 583316259 /nfs/dbraw/zinc/31/62/59/583316259.db2.gz SWUAWPOBVKGJEA-SNVBAGLBSA-N 0 3 209.289 1.825 20 10 BDCDHN CC1(C)C[C@H](O)C[N@H+](Cc2ccccc2[O-])C1 ZINC000877754007 583345605 /nfs/dbraw/zinc/34/56/05/583345605.db2.gz WFYFQLQDFYARDJ-LBPRGKRZSA-N 0 3 235.327 1.985 20 10 BDCDHN CC1(C)C[C@H](O)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000877754007 583345608 /nfs/dbraw/zinc/34/56/08/583345608.db2.gz WFYFQLQDFYARDJ-LBPRGKRZSA-N 0 3 235.327 1.985 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2COCO2)c1[O-] ZINC000894875711 583541487 /nfs/dbraw/zinc/54/14/87/583541487.db2.gz IPFSYRIROSFMLD-NSHDSACASA-N 0 3 223.272 1.163 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000788269453 583599869 /nfs/dbraw/zinc/59/98/69/583599869.db2.gz NRVMJFHJCGSIIE-ONGXEEELSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000788269453 583599872 /nfs/dbraw/zinc/59/98/72/583599872.db2.gz NRVMJFHJCGSIIE-ONGXEEELSA-N 0 3 237.299 1.356 20 10 BDCDHN CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c([O-])c1 ZINC000895645429 583700542 /nfs/dbraw/zinc/70/05/42/583700542.db2.gz BZBLIGQYEDUEQO-FZMZJTMJSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c([O-])c1 ZINC000895645429 583700543 /nfs/dbraw/zinc/70/05/43/583700543.db2.gz BZBLIGQYEDUEQO-FZMZJTMJSA-N 0 3 249.310 1.358 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000895651665 583703080 /nfs/dbraw/zinc/70/30/80/583703080.db2.gz BBEFTJDXFMEUQM-DGCLKSJQSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000895651665 583703081 /nfs/dbraw/zinc/70/30/81/583703081.db2.gz BBEFTJDXFMEUQM-DGCLKSJQSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC000897675613 584035489 /nfs/dbraw/zinc/03/54/89/584035489.db2.gz AUWIAENZJMZSSZ-MFKMUULPSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC000897675613 584035490 /nfs/dbraw/zinc/03/54/90/584035490.db2.gz AUWIAENZJMZSSZ-MFKMUULPSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897684008 584040136 /nfs/dbraw/zinc/04/01/36/584040136.db2.gz JCLFFDBFUCOINX-GXFFZTMASA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897684008 584040138 /nfs/dbraw/zinc/04/01/38/584040138.db2.gz JCLFFDBFUCOINX-GXFFZTMASA-N 0 3 221.300 1.513 20 10 BDCDHN CCc1cccc(CN[C@@]2(C)CCNC2=O)c1O ZINC000897868850 584055576 /nfs/dbraw/zinc/05/55/76/584055576.db2.gz NEGIOMYGNGISAV-AWEZNQCLSA-N 0 3 248.326 1.323 20 10 BDCDHN CCc1cccc(C[NH2+][C@@]2(C)CCNC2=O)c1[O-] ZINC000897868850 584055577 /nfs/dbraw/zinc/05/55/77/584055577.db2.gz NEGIOMYGNGISAV-AWEZNQCLSA-N 0 3 248.326 1.323 20 10 BDCDHN NOCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000902415067 584601075 /nfs/dbraw/zinc/60/10/75/584601075.db2.gz KIGWFXJSZVTJTO-SNVBAGLBSA-N 0 3 222.288 1.250 20 10 BDCDHN CCOc1ccc(C[NH2+]CC[C@@H](C)O)c([O-])c1 ZINC000767925175 584947958 /nfs/dbraw/zinc/94/79/58/584947958.db2.gz AAHWJYFMZVOPGK-SNVBAGLBSA-N 0 3 239.315 1.651 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@]23C[C@H]2COC3)cc1C ZINC000886200472 585112474 /nfs/dbraw/zinc/11/24/74/585112474.db2.gz NEIIOWYAUQQIAH-JSGCOSHPSA-N 0 3 233.311 1.888 20 10 BDCDHN CCOc1ccc(C[N@H+](C)CCO)c([O-])c1 ZINC000768136697 585532681 /nfs/dbraw/zinc/53/26/81/585532681.db2.gz BSZLZHHYXVHDRC-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN CCOc1ccc(C[N@@H+](C)CCO)c([O-])c1 ZINC000768136697 585532682 /nfs/dbraw/zinc/53/26/82/585532682.db2.gz BSZLZHHYXVHDRC-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN CC[C@@]1(O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000779217439 585747563 /nfs/dbraw/zinc/74/75/63/585747563.db2.gz UMDMSWPZWBHDRR-CYBMUJFWSA-N 0 3 221.300 1.739 20 10 BDCDHN CC[C@@]1(O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000779217439 585747564 /nfs/dbraw/zinc/74/75/64/585747564.db2.gz UMDMSWPZWBHDRR-CYBMUJFWSA-N 0 3 221.300 1.739 20 10 BDCDHN CC[C@]1(O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000779217662 585747579 /nfs/dbraw/zinc/74/75/79/585747579.db2.gz UMDMSWPZWBHDRR-ZDUSSCGKSA-N 0 3 221.300 1.739 20 10 BDCDHN CC[C@]1(O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000779217662 585747580 /nfs/dbraw/zinc/74/75/80/585747580.db2.gz UMDMSWPZWBHDRR-ZDUSSCGKSA-N 0 3 221.300 1.739 20 10 BDCDHN NC(=O)CC1([NH2+]Cc2ccccc2[O-])CCC1 ZINC000779512264 585755985 /nfs/dbraw/zinc/75/59/85/585755985.db2.gz XWKBIYKWJJSBHV-UHFFFAOYSA-N 0 3 234.299 1.280 20 10 BDCDHN C[C@@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2[O-])C1 ZINC000817412732 586801422 /nfs/dbraw/zinc/80/14/22/586801422.db2.gz ONBBIHFUUTWYID-VXGBXAGGSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000817412732 586801423 /nfs/dbraw/zinc/80/14/23/586801423.db2.gz ONBBIHFUUTWYID-VXGBXAGGSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]1C[C@@H](CO)C[N@H+](Cc2ccccc2[O-])C1 ZINC000817412729 586801707 /nfs/dbraw/zinc/80/17/07/586801707.db2.gz ONBBIHFUUTWYID-NWDGAFQWSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]1C[C@@H](CO)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000817412729 586801709 /nfs/dbraw/zinc/80/17/09/586801709.db2.gz ONBBIHFUUTWYID-NWDGAFQWSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]([NH2+][C@H](CN)C1CC1)c1ccccc1[O-] ZINC000817959438 586851866 /nfs/dbraw/zinc/85/18/66/586851866.db2.gz FYNNPADIMNHZSS-JOYOIKCWSA-N 0 3 220.316 1.780 20 10 BDCDHN C[C@H]([NH2+]CC(C)(C)N)c1ccc(F)cc1[O-] ZINC000817959652 586852049 /nfs/dbraw/zinc/85/20/49/586852049.db2.gz FRDBJXXKQRFDQT-QMMMGPOBSA-N 0 3 226.295 1.919 20 10 BDCDHN C[C@H](NCC(C)(C)[NH3+])c1ccc(F)cc1[O-] ZINC000817959652 586852052 /nfs/dbraw/zinc/85/20/52/586852052.db2.gz FRDBJXXKQRFDQT-QMMMGPOBSA-N 0 3 226.295 1.919 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H](N)C1CC1)c1ccc(F)cc1[O-] ZINC000817965930 586854740 /nfs/dbraw/zinc/85/47/40/586854740.db2.gz XCTLLZKVBKZMII-PRHODGIISA-N 0 3 238.306 1.919 20 10 BDCDHN C[C@H]([NH2+]C[C@@H](N)C1CC1)c1cc(F)ccc1[O-] ZINC000817965967 586854923 /nfs/dbraw/zinc/85/49/23/586854923.db2.gz XSUNLGJHIFGGPC-QPUJVOFHSA-N 0 3 238.306 1.919 20 10 BDCDHN COCCNCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000817965746 586855445 /nfs/dbraw/zinc/85/54/45/586855445.db2.gz ZQCVKABJQUCHKS-LLVKDONJSA-N 0 3 238.331 1.279 20 10 BDCDHN CC[C@@H]([NH2+]C[C@@H](C)N)c1ccccc1[O-] ZINC000817974005 586860507 /nfs/dbraw/zinc/86/05/07/586860507.db2.gz XIPRRAVLJKVWCY-MWLCHTKSSA-N 0 3 208.305 1.780 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827293414 587375636 /nfs/dbraw/zinc/37/56/36/587375636.db2.gz YTUHRQDIZGZCDW-GXTWGEPZSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827293414 587375637 /nfs/dbraw/zinc/37/56/37/587375637.db2.gz YTUHRQDIZGZCDW-GXTWGEPZSA-N 0 3 233.311 1.657 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC2(COC2)C1 ZINC000827644187 587394196 /nfs/dbraw/zinc/39/41/96/587394196.db2.gz PFNBJHPJJMFIGM-UHFFFAOYSA-N 0 3 219.284 1.615 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC2(COC2)C1 ZINC000827644187 587394198 /nfs/dbraw/zinc/39/41/98/587394198.db2.gz PFNBJHPJJMFIGM-UHFFFAOYSA-N 0 3 219.284 1.615 20 10 BDCDHN CN(C)c1ccc(/C=C/CN2CC[C@@H](O)C2)cc1 ZINC000835026149 587779258 /nfs/dbraw/zinc/77/92/58/587779258.db2.gz QUAKIVKVTBXTKM-NHZBNJEXSA-N 0 3 246.354 1.832 20 10 BDCDHN CN(C)c1ccc(/C=C/CN[C@H]2C[C@@H](O)C2)cc1 ZINC000835054318 587779502 /nfs/dbraw/zinc/77/95/02/587779502.db2.gz JWKRTKKGNKTYIK-ULXIHLMXSA-N 0 3 246.354 1.879 20 10 BDCDHN Cc1cc(N(C)C)ccc1CNCC(=O)N(C)C ZINC000840937847 587930719 /nfs/dbraw/zinc/93/07/19/587930719.db2.gz YLZMNJWRDHMIGA-UHFFFAOYSA-N 0 3 249.358 1.239 20 10 BDCDHN Cc1cc(N(C)C)ccc1CN1CC(C)(CO)C1 ZINC000840953765 587931870 /nfs/dbraw/zinc/93/18/70/587931870.db2.gz ZESCNZZTEDYRIX-UHFFFAOYSA-N 0 3 248.370 1.875 20 10 BDCDHN NC[C@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000841028766 587936167 /nfs/dbraw/zinc/93/61/67/587936167.db2.gz REWWOTUJCLFAAY-NSHDSACASA-N 0 3 206.289 1.219 20 10 BDCDHN CC(C)[C@@H](N)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841029034 587936215 /nfs/dbraw/zinc/93/62/15/587936215.db2.gz DKLSRZAZGSAWLT-NSHDSACASA-N 0 3 226.295 1.604 20 10 BDCDHN CC(C)[C@@H]([NH3+])CNCc1cccc(F)c1[O-] ZINC000841029034 587936217 /nfs/dbraw/zinc/93/62/17/587936217.db2.gz DKLSRZAZGSAWLT-NSHDSACASA-N 0 3 226.295 1.604 20 10 BDCDHN NC[C@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000841029671 587936441 /nfs/dbraw/zinc/93/64/41/587936441.db2.gz YDFLDGCFJFOXRH-NSHDSACASA-N 0 3 240.734 1.873 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCCNC1 ZINC000841032545 587937004 /nfs/dbraw/zinc/93/70/04/587937004.db2.gz GOAIQEOKYUERPJ-SNVBAGLBSA-N 0 3 238.306 1.621 20 10 BDCDHN [O-]c1ccc(F)cc1CNC[C@@H]1CCC[NH2+]1 ZINC000841036982 587937532 /nfs/dbraw/zinc/93/75/32/587937532.db2.gz WSJXDDVLCGUSGD-NSHDSACASA-N 0 3 224.279 1.373 20 10 BDCDHN C[C@H]1CNCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841062602 587941424 /nfs/dbraw/zinc/94/14/24/587941424.db2.gz AWKYRBZSGXDTNV-JOYOIKCWSA-N 0 3 238.306 1.619 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+]CCCNC1CC1 ZINC000841093498 587946345 /nfs/dbraw/zinc/94/63/45/587946345.db2.gz UEIZGXNRYANDSG-UHFFFAOYSA-N 0 3 238.306 1.763 20 10 BDCDHN [O-]c1ccccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105413 587946470 /nfs/dbraw/zinc/94/64/70/587946470.db2.gz KFFISEFLZSBNEY-CQSZACIVSA-N 0 3 232.327 1.720 20 10 BDCDHN C[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)CN1 ZINC000841849470 587977548 /nfs/dbraw/zinc/97/75/48/587977548.db2.gz WHRDXWPTDQCMCG-QWRGUYRKSA-N 0 3 247.342 1.020 20 10 BDCDHN C[C@@H]1CN[C@@H](C)CN1C(=O)Cc1ccc(N)cc1 ZINC000841849471 587977590 /nfs/dbraw/zinc/97/75/90/587977590.db2.gz WHRDXWPTDQCMCG-WDEREUQCSA-N 0 3 247.342 1.020 20 10 BDCDHN COc1cccc([O-])c1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000843120634 588083886 /nfs/dbraw/zinc/08/38/86/588083886.db2.gz RYMHZHZEZOPVEV-MWLCHTKSSA-N 0 3 236.315 1.180 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]CCCO)c1[O-] ZINC000846138542 588258340 /nfs/dbraw/zinc/25/83/40/588258340.db2.gz WCVVVJPQWXMNOK-VIFPVBQESA-N 0 3 225.288 1.434 20 10 BDCDHN C[C@@H]([NH2+][C@@H](CO)CCF)c1ccccc1[O-] ZINC000846207674 588260078 /nfs/dbraw/zinc/26/00/78/588260078.db2.gz BCJSORLFVRDVDB-NXEZZACHSA-N 0 3 227.279 1.763 20 10 BDCDHN CCc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1[O-] ZINC000848877097 588416421 /nfs/dbraw/zinc/41/64/21/588416421.db2.gz PUKSHDAYTSSLCN-CYBMUJFWSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1[O-] ZINC000848877097 588416422 /nfs/dbraw/zinc/41/64/22/588416422.db2.gz PUKSHDAYTSSLCN-CYBMUJFWSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[NH2+][C@H](CO)C2CC2)c1[O-] ZINC000848897369 588417447 /nfs/dbraw/zinc/41/74/47/588417447.db2.gz PSSMMIAQHZLUID-CYBMUJFWSA-N 0 3 235.327 1.815 20 10 BDCDHN CCc1cccc(CN2CC(C)(C(N)=O)C2)c1O ZINC000848918957 588421074 /nfs/dbraw/zinc/42/10/74/588421074.db2.gz CETNZBOWHNQSLX-UHFFFAOYSA-N 0 3 248.326 1.262 20 10 BDCDHN C[C@H]1CN(C(=[NH2+])NCc2ccccc2[O-])CCO1 ZINC000848984857 588425193 /nfs/dbraw/zinc/42/51/93/588425193.db2.gz MAJWEVPJUCWZCK-JTQLQIEISA-N 0 3 249.314 1.137 20 10 BDCDHN COc1ccc(CNC(=[NH2+])NC2CCC2)c([O-])c1 ZINC000849025143 588440331 /nfs/dbraw/zinc/44/03/31/588440331.db2.gz PSUKXLNNOMETRL-UHFFFAOYSA-N 0 3 249.314 1.567 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850387952 588543464 /nfs/dbraw/zinc/54/34/64/588543464.db2.gz DOZKJYXMXWRGNY-OLZOCXBDSA-N 0 3 233.311 1.785 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000850578605 588561900 /nfs/dbraw/zinc/56/19/00/588561900.db2.gz LZMMZDFMZMCHJO-OPRDCNLKSA-N 0 3 237.299 1.575 20 10 BDCDHN CC[C@H](C)[N@H+](CCO)Cc1ccccc1[O-] ZINC000862386735 589206013 /nfs/dbraw/zinc/20/60/13/589206013.db2.gz BBNILDCQPWUILM-NSHDSACASA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@H](C)[N@@H+](CCO)Cc1ccccc1[O-] ZINC000862386735 589206014 /nfs/dbraw/zinc/20/60/14/589206014.db2.gz BBNILDCQPWUILM-NSHDSACASA-N 0 3 223.316 1.985 20 10 BDCDHN C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCc2cccc([O-])c21 ZINC000863548034 589298484 /nfs/dbraw/zinc/29/84/84/589298484.db2.gz MZXSZUURTNGLOY-MVWJERBFSA-N 0 3 232.327 1.720 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1(O)CCC1 ZINC000123175328 589671125 /nfs/dbraw/zinc/67/11/25/589671125.db2.gz FYGYETFWFTZPMV-UHFFFAOYSA-N 0 3 207.273 1.397 20 10 BDCDHN C[C@H](NC(=O)[C@H](N)C1CCC1)c1ccccc1O ZINC000870988563 589707125 /nfs/dbraw/zinc/70/71/25/589707125.db2.gz SNMSONWTUKBZNJ-TVQRCGJNSA-N 0 3 248.326 1.697 20 10 BDCDHN CCN[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000876504810 590204077 /nfs/dbraw/zinc/20/40/77/590204077.db2.gz XNIXBRUUESVWGB-QMMMGPOBSA-N 0 3 207.277 1.205 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000876510395 590205562 /nfs/dbraw/zinc/20/55/62/590205562.db2.gz UXCBGUKERKCISX-GFCCVEGCSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](CO)C1 ZINC000876510395 590205564 /nfs/dbraw/zinc/20/55/64/590205564.db2.gz UXCBGUKERKCISX-GFCCVEGCSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCCN(C)C2)c([O-])c1 ZINC000876961573 590261327 /nfs/dbraw/zinc/26/13/27/590261327.db2.gz INPGMPXLPVRDMC-ZDUSSCGKSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)C(F)(F)F ZINC000876966825 590262265 /nfs/dbraw/zinc/26/22/65/590262265.db2.gz WSCGARXBHRNGCP-JTQLQIEISA-N 0 3 249.232 1.713 20 10 BDCDHN Cc1ccc(C[NH2+]CCC(=O)N(C)C)c([O-])c1 ZINC000876989808 590265549 /nfs/dbraw/zinc/26/55/49/590265549.db2.gz GPGWQMZJSUPBNK-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)c([O-])c1 ZINC000877057454 590275852 /nfs/dbraw/zinc/27/58/52/590275852.db2.gz FCUHILBRTHWRCN-WDEREUQCSA-N 0 3 223.316 1.807 20 10 BDCDHN C[C@@H](NC1CC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078012 590279035 /nfs/dbraw/zinc/27/90/35/590279035.db2.gz ZDDHTJKVTDLCTI-SECBINFHSA-N 0 3 233.315 1.372 20 10 BDCDHN CN(C(=O)C1(N)CCCC1)c1ccc(N)cc1 ZINC000877078908 590279246 /nfs/dbraw/zinc/27/92/46/590279246.db2.gz JDJMXKPRTIXUKV-UHFFFAOYSA-N 0 3 233.315 1.503 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCOC2)c([O-])c1 ZINC000877113016 590287441 /nfs/dbraw/zinc/28/74/41/590287441.db2.gz XXDWDGNXMUHVKK-NSHDSACASA-N 0 3 207.273 1.579 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@@H](C)O ZINC000877320728 590315779 /nfs/dbraw/zinc/31/57/79/590315779.db2.gz SMVGCDMLSBGWNO-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)C[C@@H](C)O ZINC000877320728 590315781 /nfs/dbraw/zinc/31/57/81/590315781.db2.gz SMVGCDMLSBGWNO-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000877463039 590332457 /nfs/dbraw/zinc/33/24/57/590332457.db2.gz YYMQTQMLMWKSTD-RISCZKNCSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000877463039 590332460 /nfs/dbraw/zinc/33/24/60/590332460.db2.gz YYMQTQMLMWKSTD-RISCZKNCSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CCCCO ZINC000877471755 590335089 /nfs/dbraw/zinc/33/50/89/590335089.db2.gz ZLJSFNCSMGJTAD-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CCCCO ZINC000877471755 590335091 /nfs/dbraw/zinc/33/50/91/590335091.db2.gz ZLJSFNCSMGJTAD-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)c([O-])c1 ZINC000877547291 590353020 /nfs/dbraw/zinc/35/30/20/590353020.db2.gz SIWYJZDPLAGJLY-JSGCOSHPSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)c([O-])c1 ZINC000877547291 590353023 /nfs/dbraw/zinc/35/30/23/590353023.db2.gz SIWYJZDPLAGJLY-JSGCOSHPSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000877576900 590364093 /nfs/dbraw/zinc/36/40/93/590364093.db2.gz RFWFJUIHZNICEC-PWSUYJOCSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)C[C@H](O)C1 ZINC000877576900 590364095 /nfs/dbraw/zinc/36/40/95/590364095.db2.gz RFWFJUIHZNICEC-PWSUYJOCSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)C1(CO)CC1 ZINC000877641927 590382225 /nfs/dbraw/zinc/38/22/25/590382225.db2.gz LPBUBUDGLLARPB-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)C1(CO)CC1 ZINC000877641927 590382227 /nfs/dbraw/zinc/38/22/27/590382227.db2.gz LPBUBUDGLLARPB-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN C[C@@H]([NH2+]CCC1OCCO1)c1ccccc1[O-] ZINC000879649342 590841555 /nfs/dbraw/zinc/84/15/55/590841555.db2.gz NZEKWQIEQAJSBK-SNVBAGLBSA-N 0 3 237.299 1.806 20 10 BDCDHN C[C@H]([NH2+]CCc1cn[nH]n1)c1ccccc1[O-] ZINC000879650852 590844056 /nfs/dbraw/zinc/84/40/56/590844056.db2.gz TZEUHTGUHZWYNL-VIFPVBQESA-N 0 3 232.287 1.404 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)C[C@H](C)O)cc1C ZINC000130759256 591516298 /nfs/dbraw/zinc/51/62/98/591516298.db2.gz XJLJNKCEEOKFAX-NSHDSACASA-N 0 3 223.316 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)C[C@H](C)O)cc1C ZINC000130759256 591516302 /nfs/dbraw/zinc/51/63/02/591516302.db2.gz XJLJNKCEEOKFAX-NSHDSACASA-N 0 3 223.316 1.822 20 10 BDCDHN C[C@H](CC[NH2+]Cc1ccccc1[O-])[S@@](C)=O ZINC000132556402 591718517 /nfs/dbraw/zinc/71/85/17/591718517.db2.gz YOROUQMTHCOGTQ-HWPZZCPQSA-N 0 3 241.356 1.639 20 10 BDCDHN COc1cccc(C[NH2+]CC(C)(C)OC)c1[O-] ZINC000135232792 591998161 /nfs/dbraw/zinc/99/81/61/591998161.db2.gz UGBOKYPKCWSALS-UHFFFAOYSA-N 0 3 239.315 1.915 20 10 BDCDHN COc1ccc(CN[C@@H](C)CC(N)=O)cc1C ZINC000135729665 592042407 /nfs/dbraw/zinc/04/24/07/592042407.db2.gz YVYUFTCSVKNZGX-JTQLQIEISA-N 0 3 236.315 1.357 20 10 BDCDHN C[NH2+][C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000219383500 592223839 /nfs/dbraw/zinc/22/38/39/592223839.db2.gz DJVYJILVSFCEDN-LLVKDONJSA-N 0 3 224.279 1.325 20 10 BDCDHN [NH3+]C[C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000219733672 592240504 /nfs/dbraw/zinc/24/05/04/592240504.db2.gz VAYMPJVOXRVFIO-SNVBAGLBSA-N 0 3 238.306 1.702 20 10 BDCDHN CC(C)[C@H](CO)C[NH2+]Cc1ccccc1[O-] ZINC000309643548 632610675 /nfs/dbraw/zinc/61/06/75/632610675.db2.gz VGMLXKHNYMDCBV-LBPRGKRZSA-N 0 3 223.316 1.746 20 10 BDCDHN CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000167192883 633125990 /nfs/dbraw/zinc/12/59/90/633125990.db2.gz UKOBEGBESHJVHO-SECBINFHSA-N 0 3 222.288 1.006 20 10 BDCDHN [NH3+]C[C@H]1CCCN1Cc1cc(Cl)ccc1[O-] ZINC000168816372 633149562 /nfs/dbraw/zinc/14/95/62/633149562.db2.gz RZAGRWQDBQHXKU-LLVKDONJSA-N 0 3 240.734 1.969 20 10 BDCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(N)=O ZINC000310005231 634066872 /nfs/dbraw/zinc/06/68/72/634066872.db2.gz GIZSQSNYJJPFJH-WPRPVWTQSA-N 0 3 222.288 1.307 20 10 BDCDHN COCC[C@@H](COC)[NH2+]Cc1ccccc1[O-] ZINC000310590942 634166689 /nfs/dbraw/zinc/16/66/89/634166689.db2.gz ZEOLLIZVFSGPBM-LBPRGKRZSA-N 0 3 239.315 1.533 20 10 BDCDHN CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000322758378 636880217 /nfs/dbraw/zinc/88/02/17/636880217.db2.gz FTQANWNWKHFYRF-VHSXEESVSA-N 0 3 236.315 1.567 20 10 BDCDHN NC1(C[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000904450637 637416246 /nfs/dbraw/zinc/41/62/46/637416246.db2.gz SFCNYVFQRUXWIL-UHFFFAOYSA-N 0 3 210.252 1.112 20 10 BDCDHN Cc1nnc(CC[NH2+][C@H](C)c2ccccc2[O-])o1 ZINC000931554578 640272413 /nfs/dbraw/zinc/27/24/13/640272413.db2.gz RBPCNUHVMNMSRV-SECBINFHSA-N 0 3 247.298 1.977 20 10 BDCDHN CN1CC[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226607219 640778170 /nfs/dbraw/zinc/77/81/70/640778170.db2.gz GEGWKMCZIZDXCZ-NSHDSACASA-N 0 3 224.279 1.325 20 10 BDCDHN CC[C@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611016 640779293 /nfs/dbraw/zinc/77/92/93/640779293.db2.gz MSFYBZIGSWIZRT-LLVKDONJSA-N 0 3 227.279 1.782 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1[O-] ZINC000087783049 641037266 /nfs/dbraw/zinc/03/72/66/641037266.db2.gz SJLIJQFCALURPS-VHSXEESVSA-N 0 3 207.273 1.832 20 10 BDCDHN CN1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000040671551 641534331 /nfs/dbraw/zinc/53/43/31/641534331.db2.gz DGDKNNRCKAKOPE-CYBMUJFWSA-N 0 3 247.342 1.022 20 10 BDCDHN C[C@H](N)C(=O)NCCCSc1nccs1 ZINC000160058717 641712568 /nfs/dbraw/zinc/71/25/68/641712568.db2.gz HFDRHWIGEKJJRT-ZETCQYMHSA-N 0 3 245.373 1.089 20 10 BDCDHN COC(=O)/C=C(/C)C[N@H+](C)Cc1ccccc1[O-] ZINC000929969864 642034267 /nfs/dbraw/zinc/03/42/67/642034267.db2.gz FEEILKSVDCICMG-FLIBITNWSA-N 0 3 249.310 1.943 20 10 BDCDHN COC(=O)/C=C(/C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000929969864 642034271 /nfs/dbraw/zinc/03/42/71/642034271.db2.gz FEEILKSVDCICMG-FLIBITNWSA-N 0 3 249.310 1.943 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@H]1O ZINC000305745869 642685866 /nfs/dbraw/zinc/68/58/66/642685866.db2.gz OXXVDSISGAZFLD-GXTWGEPZSA-N 0 3 235.327 1.985 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC[C@H]1O ZINC000305745869 642685886 /nfs/dbraw/zinc/68/58/86/642685886.db2.gz OXXVDSISGAZFLD-GXTWGEPZSA-N 0 3 235.327 1.985 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@@H]1O ZINC000305745875 642687302 /nfs/dbraw/zinc/68/73/02/642687302.db2.gz OXXVDSISGAZFLD-OCCSQVGLSA-N 0 3 235.327 1.985 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@@H]1O ZINC000305745875 642687308 /nfs/dbraw/zinc/68/73/08/642687308.db2.gz OXXVDSISGAZFLD-OCCSQVGLSA-N 0 3 235.327 1.985 20 10 BDCDHN CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179557405 642727382 /nfs/dbraw/zinc/72/73/82/642727382.db2.gz RVAUVWSLKYGJNC-ZDUSSCGKSA-N 0 3 248.326 1.493 20 10 BDCDHN CC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179557405 642727384 /nfs/dbraw/zinc/72/73/84/642727384.db2.gz RVAUVWSLKYGJNC-ZDUSSCGKSA-N 0 3 248.326 1.493 20 10 BDCDHN CC[C@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000083345888 643435015 /nfs/dbraw/zinc/43/50/15/643435015.db2.gz VNDMMXWEMUJRFW-LLVKDONJSA-N 0 3 209.289 1.561 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccccc1[O-] ZINC000817984033 644995248 /nfs/dbraw/zinc/99/52/48/644995248.db2.gz VCIKIOFLHGPVRD-MNOVXSKESA-N 0 3 236.315 1.031 20 10 BDCDHN C[NH2+]C[C@@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000220322890 645890505 /nfs/dbraw/zinc/89/05/05/645890505.db2.gz MUEBSCHYTIBLAF-LBPRGKRZSA-N 0 3 238.306 1.715 20 10 BDCDHN C[C@H]([NH2+]CCN1CCC1)c1ccccc1[O-] ZINC000381483373 710645357 /nfs/dbraw/zinc/64/53/57/710645357.db2.gz UGKVAOJCNBJPQP-NSHDSACASA-N 0 3 220.316 1.749 20 10 BDCDHN CCOc1ccc(O)c(CNCCF)c1 ZINC000389933901 711098412 /nfs/dbraw/zinc/09/84/12/711098412.db2.gz MDUNMFKBFMRDJF-UHFFFAOYSA-N 0 3 213.252 1.850 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCNC(=O)CC1)c1ccccc1[O-] ZINC000396670722 711364938 /nfs/dbraw/zinc/36/49/38/711364938.db2.gz YNNYPGLOUXRISB-MNOVXSKESA-N 0 3 248.326 1.712 20 10 BDCDHN CN(C)C1(C[NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000397910574 711396909 /nfs/dbraw/zinc/39/69/09/711396909.db2.gz ZUBFWMVTWCVKTM-UHFFFAOYSA-N 0 3 238.306 1.715 20 10 BDCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](C)O ZINC000386728552 711649940 /nfs/dbraw/zinc/64/99/40/711649940.db2.gz ARUAUBDJMVGVLL-LDYMZIIASA-N 0 3 227.279 1.780 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCC1(CO)CC1 ZINC000395787899 711697272 /nfs/dbraw/zinc/69/72/72/711697272.db2.gz CEBOLZNKDNRHNO-UHFFFAOYSA-N 0 3 221.300 1.644 20 10 BDCDHN COC[C@@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000227706654 711832645 /nfs/dbraw/zinc/83/26/45/711832645.db2.gz OXOIFNUHIRDKTR-LLVKDONJSA-N 0 3 225.288 1.143 20 10 BDCDHN CN1CC[C@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000712581805 712433654 /nfs/dbraw/zinc/43/36/54/712433654.db2.gz PSYZIFWNDNLLNS-NWDGAFQWSA-N 0 3 232.327 1.673 20 10 BDCDHN C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CO1 ZINC000402183636 970766408 /nfs/dbraw/zinc/76/64/08/970766408.db2.gz BQCFVGZFAGROPQ-KWQFWETISA-N 0 3 225.263 1.798 20 10 BDCDHN C[C@H]([NH2+]CCN1CCCC1=O)c1ccccc1[O-] ZINC000405402194 971248369 /nfs/dbraw/zinc/24/83/69/971248369.db2.gz NNKRCBUEXIEPRO-NSHDSACASA-N 0 3 248.326 1.665 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000315809646 972248603 /nfs/dbraw/zinc/24/86/03/972248603.db2.gz XKCWAUGVBWXAIB-ZDUSSCGKSA-N 0 3 239.290 1.782 20 10 BDCDHN Cc1c(O)ccc(CN2CC(N(C)C)C2)c1O ZINC001140742180 960544299 /nfs/dbraw/zinc/54/42/99/960544299.db2.gz JMZLIMOIFYGZHU-UHFFFAOYSA-N 0 3 236.315 1.152 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001140948203 960745789 /nfs/dbraw/zinc/74/57/89/960745789.db2.gz YANIUUQRYWXAEB-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](O)C2)c([O-])c1 ZINC001140948203 960745804 /nfs/dbraw/zinc/74/58/04/960745804.db2.gz YANIUUQRYWXAEB-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN Oc1ccc(O)c(CN2CCCOCC2)c1 ZINC001141156098 960892509 /nfs/dbraw/zinc/89/25/09/960892509.db2.gz QHLMLCGBKFYODC-UHFFFAOYSA-N 0 3 223.272 1.320 20 10 BDCDHN CO[C@H](C)C1CN(Cc2cc(O)ccc2O)C1 ZINC001141161279 960896931 /nfs/dbraw/zinc/89/69/31/960896931.db2.gz BYTZVRIGYFYXRS-SECBINFHSA-N 0 3 237.299 1.565 20 10 BDCDHN CC1([NH3+])CN(Cc2cc(F)ccc2[O-])C1 ZINC001204979452 963294021 /nfs/dbraw/zinc/29/40/21/963294021.db2.gz ABYOGDACDXARTO-UHFFFAOYSA-N 0 3 210.252 1.064 20 10 BDCDHN Cc1cccc(O)c1CN1C[C@@H](F)[C@@H](N)C1 ZINC001204843584 963941290 /nfs/dbraw/zinc/94/12/90/963941290.db2.gz QJYBVKCERQHSMZ-MNOVXSKESA-N 0 3 224.279 1.182 20 10 BDCDHN C[NH2+]C1CN(Cc2cc(Cl)c(C)cc2[O-])C1 ZINC001204705567 964119627 /nfs/dbraw/zinc/11/96/27/964119627.db2.gz DETUPDWSYTWHGT-UHFFFAOYSA-N 0 3 240.734 1.758 20 10 BDCDHN CN(C)CCC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000160240407 964800851 /nfs/dbraw/zinc/80/08/51/964800851.db2.gz JDOLEMXDRLVCHU-UHFFFAOYSA-N 0 3 240.322 1.915 20 10 BDCDHN CN(C)CCC[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000160240407 964800856 /nfs/dbraw/zinc/80/08/56/964800856.db2.gz JDOLEMXDRLVCHU-UHFFFAOYSA-N 0 3 240.322 1.915 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1CSC1 ZINC000698000103 964860651 /nfs/dbraw/zinc/86/06/51/964860651.db2.gz YIFJILKXAJMKNF-UHFFFAOYSA-N 0 3 227.304 1.984 20 10 BDCDHN C[C@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000699745848 966061150 /nfs/dbraw/zinc/06/11/50/966061150.db2.gz UQIKLMXBKNDMST-KWQFWETISA-N 0 3 225.263 1.656 20 10 BDCDHN COc1ccc(C[NH2+]Cc2cncn2C)c([O-])c1 ZINC000388358382 966121332 /nfs/dbraw/zinc/12/13/32/966121332.db2.gz KWSZTOOPXBEWEM-UHFFFAOYSA-N 0 3 247.298 1.424 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@]1(C)O ZINC001203549926 966676643 /nfs/dbraw/zinc/67/66/43/966676643.db2.gz DASBWCQDWBAZNA-FZMZJTMJSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@]1(C)O ZINC001203549926 966676647 /nfs/dbraw/zinc/67/66/47/966676647.db2.gz DASBWCQDWBAZNA-FZMZJTMJSA-N 0 3 235.327 1.985 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CC2(CSC2)C1 ZINC001203561732 966686961 /nfs/dbraw/zinc/68/69/61/966686961.db2.gz YMRQPRBRHBEKDK-UHFFFAOYSA-N 0 3 221.325 1.941 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001203634462 966715849 /nfs/dbraw/zinc/71/58/49/966715849.db2.gz HHNBIKZYJHGKSL-LLVKDONJSA-N 0 3 249.310 1.812 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@@H](C(C)=O)C2)c([O-])c1 ZINC001203634462 966715854 /nfs/dbraw/zinc/71/58/54/966715854.db2.gz HHNBIKZYJHGKSL-LLVKDONJSA-N 0 3 249.310 1.812 20 10 BDCDHN COc1ccc(O)c(CN2CC3(CN(C)C3)C2)c1 ZINC001203683666 966735929 /nfs/dbraw/zinc/73/59/29/966735929.db2.gz AGSSWELKPMUGRS-UHFFFAOYSA-N 0 3 248.326 1.148 20 10 BDCDHN Oc1ccc(CN2C[C@H]3[C@H](CF)[C@H]3C2)cc1O ZINC001203880509 966807799 /nfs/dbraw/zinc/80/77/99/966807799.db2.gz UPRIILHHUHYPQE-RTCCRHLQSA-N 0 3 237.274 1.745 20 10 BDCDHN C[C@H]1COCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273130 966953609 /nfs/dbraw/zinc/95/36/09/966953609.db2.gz ZDBOUDGFPROVKI-SNVBAGLBSA-N 0 3 237.299 1.566 20 10 BDCDHN C[C@H]1COCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273130 966953612 /nfs/dbraw/zinc/95/36/12/966953612.db2.gz ZDBOUDGFPROVKI-SNVBAGLBSA-N 0 3 237.299 1.566 20 10 BDCDHN NCc1cccc(NCc2ccc(O)c(O)c2)n1 ZINC001169996666 969977579 /nfs/dbraw/zinc/97/75/79/969977579.db2.gz GAOJNGDFPOZAND-UHFFFAOYSA-N 0 3 245.282 1.564 20 10 BDCDHN [O-]c1ccc2ccccc2c1C[NH+]1CC(CO)C1 ZINC001231590270 977642815 /nfs/dbraw/zinc/64/28/15/977642815.db2.gz PJFOPZXPKNHDAF-UHFFFAOYSA-N 0 3 243.306 1.970 20 10 BDCDHN COc1cc(CN2CC=CC2)c(O)cc1O ZINC001231633866 977651667 /nfs/dbraw/zinc/65/16/67/977651667.db2.gz BCRUYNWGKFZCRA-UHFFFAOYSA-N 0 3 221.256 1.478 20 10 BDCDHN COc1cc(CN2CCC2)c(O)cc1O ZINC001231632674 977652803 /nfs/dbraw/zinc/65/28/03/977652803.db2.gz CVYXASJDGKWTRL-UHFFFAOYSA-N 0 3 209.245 1.312 20 10 BDCDHN Cc1ccc(CN2CC3(C[C@@H]3C(N)=O)C2)c(O)c1 ZINC001277569501 977753926 /nfs/dbraw/zinc/75/39/26/977753926.db2.gz ZRUWECKPEOXOIC-LLVKDONJSA-N 0 3 246.310 1.008 20 10 BDCDHN CN(Cc1cc(O)c(O)cc1O)[C@@H]1CCOC1 ZINC001233485743 978612174 /nfs/dbraw/zinc/61/21/74/978612174.db2.gz JIHLTIBVVPMJDT-SECBINFHSA-N 0 3 239.271 1.024 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(CO)C1 ZINC001237486117 979909493 /nfs/dbraw/zinc/90/94/93/979909493.db2.gz VWZLRBIOSPURIO-AWEZNQCLSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(CO)C1 ZINC001237486117 979909498 /nfs/dbraw/zinc/90/94/98/979909498.db2.gz VWZLRBIOSPURIO-AWEZNQCLSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc(O)c1CN1CCCC[C@@H]1C(N)=O ZINC001237489075 979915694 /nfs/dbraw/zinc/91/56/94/979915694.db2.gz DRAIABVFGIGEGZ-GFCCVEGCSA-N 0 3 248.326 1.540 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@H](CO)C2)c1[O-] ZINC001238060578 980131857 /nfs/dbraw/zinc/13/18/57/980131857.db2.gz CBGSDFWVTRHHAM-JTQLQIEISA-N 0 3 239.290 1.654 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@H](CO)C2)c1[O-] ZINC001238060578 980131864 /nfs/dbraw/zinc/13/18/64/980131864.db2.gz CBGSDFWVTRHHAM-JTQLQIEISA-N 0 3 239.290 1.654 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC001238064139 980135041 /nfs/dbraw/zinc/13/50/41/980135041.db2.gz OPLMNCFPFXMNQL-GFCCVEGCSA-N 0 3 239.290 1.796 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC001238064139 980135051 /nfs/dbraw/zinc/13/50/51/980135051.db2.gz OPLMNCFPFXMNQL-GFCCVEGCSA-N 0 3 239.290 1.796 20 10 BDCDHN COC(=O)CCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001202252224 983608684 /nfs/dbraw/zinc/60/86/84/983608684.db2.gz DXPWUTLXUJYXSI-UHFFFAOYSA-N 0 3 249.310 1.704 20 10 BDCDHN COC(=O)CCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001202252224 983608687 /nfs/dbraw/zinc/60/86/87/983608687.db2.gz DXPWUTLXUJYXSI-UHFFFAOYSA-N 0 3 249.310 1.704 20 10 BDCDHN COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000718144557 984395364 /nfs/dbraw/zinc/39/53/64/984395364.db2.gz FWRPMCQPJGJHPX-TXEJJXNPSA-N 0 3 249.310 1.479 20 10 BDCDHN COc1ccc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)c([O-])c1 ZINC000718144557 984395373 /nfs/dbraw/zinc/39/53/73/984395373.db2.gz FWRPMCQPJGJHPX-TXEJJXNPSA-N 0 3 249.310 1.479 20 10 BDCDHN C[NH2+]C[C@@H](C)CNCc1cc(F)cc(F)c1[O-] ZINC001578627610 985242106 /nfs/dbraw/zinc/24/21/06/985242106.db2.gz RWSJNMOIQXTMPS-MRVPVSSYSA-N 0 3 244.285 1.616 20 10 BDCDHN C[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000688046042 985522149 /nfs/dbraw/zinc/52/21/49/985522149.db2.gz GWKYORWWPOBGNY-ONGXEEELSA-N 0 3 207.273 1.517 20 10 BDCDHN COC[C@@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001255582145 987033947 /nfs/dbraw/zinc/03/39/47/987033947.db2.gz RRAUSYLEJGIUSA-SNVBAGLBSA-N 0 3 221.300 1.785 20 10 BDCDHN COC[C@@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001255582145 987033961 /nfs/dbraw/zinc/03/39/61/987033961.db2.gz RRAUSYLEJGIUSA-SNVBAGLBSA-N 0 3 221.300 1.785 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690779174 987281356 /nfs/dbraw/zinc/28/13/56/987281356.db2.gz AEVXFSPOLMLKGW-STQMWFEESA-N 0 3 233.311 1.861 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690779174 987281364 /nfs/dbraw/zinc/28/13/64/987281364.db2.gz AEVXFSPOLMLKGW-STQMWFEESA-N 0 3 233.311 1.861 20 10 BDCDHN Nc1ccc(CN2CC[C@@H](n3cncn3)C2)cc1 ZINC001120268174 989620875 /nfs/dbraw/zinc/62/08/75/989620875.db2.gz BDDUVSMCFJYLSM-CYBMUJFWSA-N 0 3 243.314 1.307 20 10 BDCDHN CN1CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001137831478 990853735 /nfs/dbraw/zinc/85/37/35/990853735.db2.gz AYRCXNDOLTYYEY-UHFFFAOYSA-N 0 3 238.306 1.669 20 10 BDCDHN CN1CCC[N@@H+](Cc2c([O-])cccc2F)CC1 ZINC001137831478 990853737 /nfs/dbraw/zinc/85/37/37/990853737.db2.gz AYRCXNDOLTYYEY-UHFFFAOYSA-N 0 3 238.306 1.669 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC001560811245 991611692 /nfs/dbraw/zinc/61/16/92/991611692.db2.gz COQMLGAJUCUYFQ-ZANVPECISA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC001560811245 991611694 /nfs/dbraw/zinc/61/16/94/991611694.db2.gz COQMLGAJUCUYFQ-ZANVPECISA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@@H](CO)[N@H+](C)Cc1ccccc1[O-] ZINC000295027393 398264663 /nfs/dbraw/zinc/26/46/63/398264663.db2.gz CVNCIPZGPIYXGH-NSHDSACASA-N 0 3 209.289 1.595 20 10 BDCDHN CC[C@@H](CO)[N@@H+](C)Cc1ccccc1[O-] ZINC000295027393 398264667 /nfs/dbraw/zinc/26/46/67/398264667.db2.gz CVNCIPZGPIYXGH-NSHDSACASA-N 0 3 209.289 1.595 20 10 BDCDHN CC[C@@H](CO)[N@H+](C)Cc1cccc(C)c1[O-] ZINC000295021580 398264564 /nfs/dbraw/zinc/26/45/64/398264564.db2.gz CHKODZXRUSDEQH-LBPRGKRZSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[C@@H](CO)[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000295021580 398264572 /nfs/dbraw/zinc/26/45/72/398264572.db2.gz CHKODZXRUSDEQH-LBPRGKRZSA-N 0 3 223.316 1.903 20 10 BDCDHN CC(C)C(=O)NCC[NH2+]Cc1ccccc1[O-] ZINC000020125193 342970069 /nfs/dbraw/zinc/97/00/69/342970069.db2.gz SCLUBPWNHUSPCO-UHFFFAOYSA-N 0 3 236.315 1.254 20 10 BDCDHN CC(C)[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823737 187261054 /nfs/dbraw/zinc/26/10/54/187261054.db2.gz UFHNDKUQXBQRKJ-LBPRGKRZSA-N 0 3 236.315 1.334 20 10 BDCDHN CC(C)C[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000040773561 343409446 /nfs/dbraw/zinc/40/94/46/343409446.db2.gz UEAXEJFRXDNORT-LBPRGKRZSA-N 0 3 223.316 1.889 20 10 BDCDHN CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000050394200 343614314 /nfs/dbraw/zinc/61/43/14/343614314.db2.gz QGFJNIYGQRQOOX-NEPJUHHUSA-N 0 3 248.326 1.712 20 10 BDCDHN CC(C)(C[NH2+]Cc1ccccc1[O-])OCCO ZINC000288510816 187362380 /nfs/dbraw/zinc/36/23/80/187362380.db2.gz SYPRPQSQNQMVAV-UHFFFAOYSA-N 0 3 239.315 1.269 20 10 BDCDHN Cc1cccc(C[N@@H+](C)CC[C@H](C)O)c1[O-] ZINC000132508540 179066465 /nfs/dbraw/zinc/06/64/65/179066465.db2.gz ANZBVOHVNQILHB-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[N@H+](C)CC[C@H](C)O)c1[O-] ZINC000132508540 179066469 /nfs/dbraw/zinc/06/64/69/179066469.db2.gz ANZBVOHVNQILHB-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(CN2CCN(C)CC2)c1O ZINC000162803862 179077957 /nfs/dbraw/zinc/07/79/57/179077957.db2.gz QYXSBJZPLBZRDC-UHFFFAOYSA-N 0 3 220.316 1.448 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H](CO)C2)c1[O-] ZINC000132498533 179081669 /nfs/dbraw/zinc/08/16/69/179081669.db2.gz IHBUAVIEQVTPEP-NSHDSACASA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H](CO)C2)c1[O-] ZINC000132498533 179081670 /nfs/dbraw/zinc/08/16/70/179081670.db2.gz IHBUAVIEQVTPEP-NSHDSACASA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000376893026 179084680 /nfs/dbraw/zinc/08/46/80/179084680.db2.gz BFSQMIQKRCAKRW-GFCCVEGCSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000376893026 179084684 /nfs/dbraw/zinc/08/46/84/179084684.db2.gz BFSQMIQKRCAKRW-GFCCVEGCSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H](C)CCO)c1[O-] ZINC000162868285 179092089 /nfs/dbraw/zinc/09/20/89/179092089.db2.gz CWUIJCRDWVLVMG-JTQLQIEISA-N 0 3 223.316 1.809 20 10 BDCDHN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000163421638 346559987 /nfs/dbraw/zinc/55/99/87/346559987.db2.gz KOGUUWCKIQKSKL-NWDGAFQWSA-N 0 3 221.300 1.641 20 10 BDCDHN CCN(Cc1cc(C)ccc1O)[C@H]1CCNC1=O ZINC000281894270 351915106 /nfs/dbraw/zinc/91/51/06/351915106.db2.gz YOBBMOJXIACCRI-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN COC(=O)C1(C[N@H+](C)Cc2ccccc2[O-])CC1 ZINC000279176709 188030680 /nfs/dbraw/zinc/03/06/80/188030680.db2.gz HXSJSJSVIDSLRZ-UHFFFAOYSA-N 0 3 249.310 1.777 20 10 BDCDHN COC(=O)C1(C[N@@H+](C)Cc2ccccc2[O-])CC1 ZINC000279176709 188030682 /nfs/dbraw/zinc/03/06/82/188030682.db2.gz HXSJSJSVIDSLRZ-UHFFFAOYSA-N 0 3 249.310 1.777 20 10 BDCDHN COC[C@@H](O)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000231607478 353624412 /nfs/dbraw/zinc/62/44/12/353624412.db2.gz FTAHMQVLLOQYMZ-LBPRGKRZSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1[O-] ZINC000124848324 358528848 /nfs/dbraw/zinc/52/88/48/358528848.db2.gz RMVHUHXZIBJQJR-YPMHNXCESA-N 0 3 235.327 1.951 20 10 BDCDHN C[C@@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297126841 364788269 /nfs/dbraw/zinc/78/82/69/364788269.db2.gz YTMGUYXZDVLFDU-WCBMZHEXSA-N 0 3 207.273 1.350 20 10 BDCDHN O=C(NCC[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000134225314 182188696 /nfs/dbraw/zinc/18/86/96/182188696.db2.gz NXRLNYPGJBZVDG-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCCCO)CC2 ZINC000296616443 183053247 /nfs/dbraw/zinc/05/32/47/183053247.db2.gz YVRWHDKGTTXUQO-LLVKDONJSA-N 0 3 221.300 1.742 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@]1(CCO)CCOC1 ZINC000278502764 183098063 /nfs/dbraw/zinc/09/80/63/183098063.db2.gz ODLAHFIZERTMJR-ZDUSSCGKSA-N 0 3 237.299 1.023 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCn1ccnc1)CC2 ZINC000295847767 183297402 /nfs/dbraw/zinc/29/74/02/183297402.db2.gz FYFAORUYZCJYMX-LBPRGKRZSA-N 0 3 243.310 1.866 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CCSCC1 ZINC000142816979 183301565 /nfs/dbraw/zinc/30/15/65/183301565.db2.gz XWCBLEYDANLDPN-UHFFFAOYSA-N 0 3 209.314 1.941 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1(O)CCOCC1 ZINC000112717343 183302368 /nfs/dbraw/zinc/30/23/68/183302368.db2.gz UROZKDYBRUTBNL-UHFFFAOYSA-N 0 3 237.299 1.023 20 10 BDCDHN COC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000070589895 384122637 /nfs/dbraw/zinc/12/26/37/384122637.db2.gz GCLLXKUDJSCVBT-NXEZZACHSA-N 0 3 225.288 1.050 20 10 BDCDHN CCN(C)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000070955713 384142923 /nfs/dbraw/zinc/14/29/23/384142923.db2.gz JJCKLZFLBJLUPT-UHFFFAOYSA-N 0 3 222.332 1.742 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000093481762 384242714 /nfs/dbraw/zinc/24/27/14/384242714.db2.gz QTEUIZAKAGSRBO-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)CC[C@H](C)O)c1 ZINC000093481762 384242718 /nfs/dbraw/zinc/24/27/18/384242718.db2.gz QTEUIZAKAGSRBO-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618277 384308043 /nfs/dbraw/zinc/30/80/43/384308043.db2.gz SEPVVXWBBRPPTM-WCBMZHEXSA-N 0 3 243.278 1.189 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000125739904 384744770 /nfs/dbraw/zinc/74/47/70/384744770.db2.gz FMOWYZNUCORAEH-GHMZBOCLSA-N 0 3 223.316 1.807 20 10 BDCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])N(C)C1CC1 ZINC000105488252 384869230 /nfs/dbraw/zinc/86/92/30/384869230.db2.gz VBNXYEUSZNCLRU-NSHDSACASA-N 0 3 234.343 1.965 20 10 BDCDHN C[C@@H]([NH2+]CC(C)(C)O)c1cc(F)ccc1[O-] ZINC000087111428 385073139 /nfs/dbraw/zinc/07/31/39/385073139.db2.gz VWXCAQPIOROPLD-MRVPVSSYSA-N 0 3 227.279 1.953 20 10 BDCDHN C[C@@H]([NH2+]CCN(C)C)c1cc(F)ccc1[O-] ZINC000087111296 385073393 /nfs/dbraw/zinc/07/33/93/385073393.db2.gz YZYDETNOFAPVGI-SECBINFHSA-N 0 3 226.295 1.744 20 10 BDCDHN C[C@@H](CCCO)C[NH2+]Cc1ccccc1[O-] ZINC000294923801 385313637 /nfs/dbraw/zinc/31/36/37/385313637.db2.gz YXSXZNNHFBFAGS-NSHDSACASA-N 0 3 223.316 1.890 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@H](C)OC)c1 ZINC000191146059 385287383 /nfs/dbraw/zinc/28/73/83/385287383.db2.gz GESCZHJNVUUZIG-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN COC(=O)[C@H](C)C[N@H+](C)Cc1ccccc1[O-] ZINC000179561090 385473343 /nfs/dbraw/zinc/47/33/43/385473343.db2.gz HUTHAPJQIZLUPV-SNVBAGLBSA-N 0 3 237.299 1.633 20 10 BDCDHN COC(=O)[C@H](C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000179561090 385473347 /nfs/dbraw/zinc/47/33/47/385473347.db2.gz HUTHAPJQIZLUPV-SNVBAGLBSA-N 0 3 237.299 1.633 20 10 BDCDHN C[C@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179568284 385473817 /nfs/dbraw/zinc/47/38/17/385473817.db2.gz JTQNMRYMAUWZAM-NSHDSACASA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H](O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179568296 385473856 /nfs/dbraw/zinc/47/38/56/385473856.db2.gz JTQNMRYMAUWZAM-LLVKDONJSA-N 0 3 235.327 1.985 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000157194694 385490265 /nfs/dbraw/zinc/49/02/65/385490265.db2.gz OZYYKNWJWLXBGL-SNVBAGLBSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000157194694 385490272 /nfs/dbraw/zinc/49/02/72/385490272.db2.gz OZYYKNWJWLXBGL-SNVBAGLBSA-N 0 3 234.299 1.008 20 10 BDCDHN CCOc1cccc(C[N@H+](C)CCCO)c1[O-] ZINC000281817090 385704636 /nfs/dbraw/zinc/70/46/36/385704636.db2.gz QSMYBTNHAZTMCN-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCOc1cccc(C[N@@H+](C)CCCO)c1[O-] ZINC000281817090 385704640 /nfs/dbraw/zinc/70/46/40/385704640.db2.gz QSMYBTNHAZTMCN-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN C[C@H](C[S@](C)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000230392610 385734990 /nfs/dbraw/zinc/73/49/90/385734990.db2.gz ZPIWGRUCNZTYCG-BCTVWOGZSA-N 0 3 245.319 1.388 20 10 BDCDHN C[C@@H]1NCCN(C(=O)Cc2ccc(N)cc2)[C@H]1C ZINC000262804363 385886537 /nfs/dbraw/zinc/88/65/37/385886537.db2.gz PVBNRNAVUQPWHH-QWRGUYRKSA-N 0 3 247.342 1.020 20 10 BDCDHN COC[C@@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000234901155 386114610 /nfs/dbraw/zinc/11/46/10/386114610.db2.gz VDEGACKVQUGGBT-NXEZZACHSA-N 0 3 225.288 1.050 20 10 BDCDHN C[N@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000264702179 386263615 /nfs/dbraw/zinc/26/36/15/386263615.db2.gz KFFZUXHFPSHTKH-UHFFFAOYSA-N 0 3 232.287 1.116 20 10 BDCDHN C[N@@H+](CCn1cncn1)Cc1ccccc1[O-] ZINC000264702179 386263618 /nfs/dbraw/zinc/26/36/18/386263618.db2.gz KFFZUXHFPSHTKH-UHFFFAOYSA-N 0 3 232.287 1.116 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCC[C@H]1O ZINC000289747142 386350106 /nfs/dbraw/zinc/35/01/06/386350106.db2.gz QMAANGTVCDKHMS-DGCLKSJQSA-N 0 3 239.290 1.877 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCC[C@H]1O ZINC000289747142 386350113 /nfs/dbraw/zinc/35/01/13/386350113.db2.gz QMAANGTVCDKHMS-DGCLKSJQSA-N 0 3 239.290 1.877 20 10 BDCDHN COC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000279628655 386711549 /nfs/dbraw/zinc/71/15/49/386711549.db2.gz BOGGMAUCHGWPBU-GFCCVEGCSA-N 0 3 239.315 1.106 20 10 BDCDHN COC[C@@H](CO)NCc1cc(C)c(C)cc1O ZINC000279628655 386711553 /nfs/dbraw/zinc/71/15/53/386711553.db2.gz BOGGMAUCHGWPBU-GFCCVEGCSA-N 0 3 239.315 1.106 20 10 BDCDHN COC[C@@H](CO)NCc1ccc(OC)c(C)c1 ZINC000234871369 387326360 /nfs/dbraw/zinc/32/63/60/387326360.db2.gz XKLFFSVHHRQAQA-GFCCVEGCSA-N 0 3 239.315 1.101 20 10 BDCDHN CC(=O)NCCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296144000 388417836 /nfs/dbraw/zinc/41/78/36/388417836.db2.gz WJNXUPUFHKIXHL-LBPRGKRZSA-N 0 3 248.326 1.495 20 10 BDCDHN C[C@H](CO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295782689 398087668 /nfs/dbraw/zinc/08/76/68/398087668.db2.gz AZVWVETYNIOKNZ-GXSJLCMTSA-N 0 3 221.300 1.598 20 10 BDCDHN CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000042560939 173303770 /nfs/dbraw/zinc/30/37/70/173303770.db2.gz FYXAICNZIWGREL-ZJUUUORDSA-N 0 3 236.315 1.486 20 10 BDCDHN COc1ccc(CNCCNC(C)=O)cc1C ZINC000035052622 175106526 /nfs/dbraw/zinc/10/65/26/175106526.db2.gz GYHFRZHIULRUEX-UHFFFAOYSA-N 0 3 236.315 1.229 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)CC[C@@H](C)O)c1 ZINC000271796996 175157312 /nfs/dbraw/zinc/15/73/12/175157312.db2.gz KCVWRWONCQNXSD-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)CC[C@@H](C)O)c1 ZINC000271796996 175157315 /nfs/dbraw/zinc/15/73/15/175157315.db2.gz KCVWRWONCQNXSD-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)CC[C@H](C)O)c1 ZINC000271796992 175157579 /nfs/dbraw/zinc/15/75/79/175157579.db2.gz KCVWRWONCQNXSD-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000271796992 175157580 /nfs/dbraw/zinc/15/75/80/175157580.db2.gz KCVWRWONCQNXSD-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc(O)c(CN2CCC[C@@H](O)C2)c1 ZINC000271774462 175157716 /nfs/dbraw/zinc/15/77/16/175157716.db2.gz FWYQXFKCDSMKSD-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000271774462 175157717 /nfs/dbraw/zinc/15/77/17/175157717.db2.gz FWYQXFKCDSMKSD-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000271774462 175157719 /nfs/dbraw/zinc/15/77/19/175157719.db2.gz FWYQXFKCDSMKSD-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000294818521 175158533 /nfs/dbraw/zinc/15/85/33/175158533.db2.gz KHOOVWSYPQGHCL-AOOOYVTPSA-N 0 3 223.272 1.014 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000132359441 175158624 /nfs/dbraw/zinc/15/86/24/175158624.db2.gz OSKJUQHIKVJJMG-BZPMIXESSA-N 0 3 249.310 1.810 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000085983763 175159750 /nfs/dbraw/zinc/15/97/50/175159750.db2.gz HXWSWCHZYGUJAC-ZJUUUORDSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H](C)CCO)c1 ZINC000132435257 175160694 /nfs/dbraw/zinc/16/06/94/175160694.db2.gz KVZYOEUWXVLTME-VHSXEESVSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc(C[NH2+]C(C)(C)CCO)c1[O-] ZINC000135228005 175263417 /nfs/dbraw/zinc/26/34/17/175263417.db2.gz FUOCXRTZQUGFEE-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1cccc(C[NH2+]CCCCO)c1[O-] ZINC000193281638 175264367 /nfs/dbraw/zinc/26/43/67/175264367.db2.gz XSKUNXSOONNWEF-UHFFFAOYSA-N 0 3 225.288 1.263 20 10 BDCDHN COc1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1C ZINC000263706517 490205599 /nfs/dbraw/zinc/20/55/99/490205599.db2.gz HEQXRXNKNSZQLS-GFCCVEGCSA-N 0 3 248.326 1.324 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](O)C2)cc1C ZINC000850417727 582916239 /nfs/dbraw/zinc/91/62/39/582916239.db2.gz JKRHPOMMXPYHDD-HAQNSBGRSA-N 0 3 221.300 1.622 20 10 BDCDHN CC(=O)OC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000892792711 582983332 /nfs/dbraw/zinc/98/33/32/582983332.db2.gz UEXRAYXWEDQQHN-VIFPVBQESA-N 0 3 223.272 1.433 20 10 BDCDHN C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000840979168 583214399 /nfs/dbraw/zinc/21/43/99/583214399.db2.gz RXQNGRDCNFIACW-WCQYABFASA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1[C@@H](CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000840979168 583214401 /nfs/dbraw/zinc/21/44/01/583214401.db2.gz RXQNGRDCNFIACW-WCQYABFASA-N 0 3 235.327 1.985 20 10 BDCDHN COc1cc(C)cc(CNCCF)c1O ZINC000894648798 583500591 /nfs/dbraw/zinc/50/05/91/583500591.db2.gz LNYIUTMIBTVXOH-UHFFFAOYSA-N 0 3 213.252 1.768 20 10 BDCDHN COCC[C@@H](CO)[NH2+]Cc1c(C)cccc1[O-] ZINC000894654339 583501089 /nfs/dbraw/zinc/50/10/89/583501089.db2.gz FODACRLPYJGKNV-NSHDSACASA-N 0 3 239.315 1.188 20 10 BDCDHN COc1cc(C)cc(CNC/C=C\CO)c1O ZINC000895249053 583632017 /nfs/dbraw/zinc/63/20/17/583632017.db2.gz ZLPZWTRGRCIKPE-ARJAWSKDSA-N 0 3 237.299 1.347 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c([O-])c1 ZINC000895324855 583651065 /nfs/dbraw/zinc/65/10/65/583651065.db2.gz NCKLCVQQQVWYHV-LBPRGKRZSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895781279 583728683 /nfs/dbraw/zinc/72/86/83/583728683.db2.gz MEXIJQXUBGQZBU-LNSITVRQSA-N 0 3 247.338 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895781279 583728686 /nfs/dbraw/zinc/72/86/86/583728686.db2.gz MEXIJQXUBGQZBU-LNSITVRQSA-N 0 3 247.338 1.903 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897681625 584039129 /nfs/dbraw/zinc/03/91/29/584039129.db2.gz XSTYFWGMVUACMM-PWSUYJOCSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897681625 584039130 /nfs/dbraw/zinc/03/91/30/584039130.db2.gz XSTYFWGMVUACMM-PWSUYJOCSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1C ZINC000897683427 584040156 /nfs/dbraw/zinc/04/01/56/584040156.db2.gz DDSRVAHVOJHRFF-RISCZKNCSA-N 0 3 235.327 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1C ZINC000897683427 584040159 /nfs/dbraw/zinc/04/01/59/584040159.db2.gz DDSRVAHVOJHRFF-RISCZKNCSA-N 0 3 235.327 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1C ZINC000897683425 584040458 /nfs/dbraw/zinc/04/04/58/584040458.db2.gz DDSRVAHVOJHRFF-BXUZGUMPSA-N 0 3 235.327 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1C ZINC000897683425 584040459 /nfs/dbraw/zinc/04/04/59/584040459.db2.gz DDSRVAHVOJHRFF-BXUZGUMPSA-N 0 3 235.327 1.822 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000897684464 584040583 /nfs/dbraw/zinc/04/05/83/584040583.db2.gz PPMTWQJDBJEWHT-BXKDBHETSA-N 0 3 207.273 1.205 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000897684464 584040585 /nfs/dbraw/zinc/04/05/85/584040585.db2.gz PPMTWQJDBJEWHT-BXKDBHETSA-N 0 3 207.273 1.205 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898203489 584090039 /nfs/dbraw/zinc/09/00/39/584090039.db2.gz VVEQWTVZBSUZNT-AWEZNQCLSA-N 0 3 235.327 1.951 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898205359 584091711 /nfs/dbraw/zinc/09/17/11/584091711.db2.gz COBHYQPYWREMKB-CYBMUJFWSA-N 0 3 221.300 1.643 20 10 BDCDHN C[C@@H](CN)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841047945 584124508 /nfs/dbraw/zinc/12/45/08/584124508.db2.gz FEHLEGZDIDGLPT-QMMMGPOBSA-N 0 3 212.268 1.216 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]CC2COC2)c1[O-] ZINC000858551830 588964536 /nfs/dbraw/zinc/96/45/36/588964536.db2.gz ALZMPRDLXQYEQN-SECBINFHSA-N 0 3 237.299 1.698 20 10 BDCDHN C[C@H]([NH2+]CC1(N)CC1)c1cc(F)ccc1[O-] ZINC000902404867 584588830 /nfs/dbraw/zinc/58/88/30/584588830.db2.gz GEWMWNPMNDTBOL-QMMMGPOBSA-N 0 3 224.279 1.673 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]CCCON)c([O-])c1 ZINC000902425357 584593812 /nfs/dbraw/zinc/59/38/12/584593812.db2.gz MQLAJLMEHIBJOY-JTQLQIEISA-N 0 3 224.304 1.632 20 10 BDCDHN COc1cc(CN2CC[C@@H]2CO)c(O)cc1C ZINC000902630672 584647059 /nfs/dbraw/zinc/64/70/59/584647059.db2.gz BYNHZAIBDUNAJL-LLVKDONJSA-N 0 3 237.299 1.276 20 10 BDCDHN CCC[C@](C)(N)C(=O)N(C)c1ccc(N)cc1 ZINC000877079114 584889776 /nfs/dbraw/zinc/88/97/76/584889776.db2.gz QZVDAPZKJUYKPU-ZDUSSCGKSA-N 0 3 235.331 1.749 20 10 BDCDHN CC[NH+](CC)CCNC(=O)c1cc([O-])cs1 ZINC000731867083 584930665 /nfs/dbraw/zinc/93/06/65/584930665.db2.gz DSAWENSFKSHEIH-UHFFFAOYSA-N 0 3 242.344 1.525 20 10 BDCDHN C[C@H]([NH2+]C1CCNCC1)c1ccccc1[O-] ZINC000817936703 584991514 /nfs/dbraw/zinc/99/15/14/584991514.db2.gz QCWHHMJSBHJMIP-JTQLQIEISA-N 0 3 220.316 1.795 20 10 BDCDHN Cc1cccc(C[NH+]2CC(CCO)C2)c1[O-] ZINC000839141418 585094457 /nfs/dbraw/zinc/09/44/57/585094457.db2.gz YHNPRQHYSWIXCF-UHFFFAOYSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1cccc(C[N@H+](CCO)CC2CC2)c1[O-] ZINC000775662226 585682790 /nfs/dbraw/zinc/68/27/90/585682790.db2.gz SHOIRLKIKSELEA-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc(C[N@@H+](CCO)CC2CC2)c1[O-] ZINC000775662226 585682791 /nfs/dbraw/zinc/68/27/91/585682791.db2.gz SHOIRLKIKSELEA-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000792197603 585997327 /nfs/dbraw/zinc/99/73/27/585997327.db2.gz ZBIUMUBHKAQFHO-PWSUYJOCSA-N 0 3 249.310 1.824 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H](O)C1CC1 ZINC000809753149 586517925 /nfs/dbraw/zinc/51/79/25/586517925.db2.gz ZUNXYDPLBQJDSY-ZDUSSCGKSA-N 0 3 239.290 1.734 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H](O)C1CC1 ZINC000809753149 586517926 /nfs/dbraw/zinc/51/79/26/586517926.db2.gz ZUNXYDPLBQJDSY-ZDUSSCGKSA-N 0 3 239.290 1.734 20 10 BDCDHN CN1C[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000814172864 586615512 /nfs/dbraw/zinc/61/55/12/586615512.db2.gz BXRBGQLEWYADTF-WCQYABFASA-N 0 3 232.327 1.528 20 10 BDCDHN CN1C[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000814172864 586615513 /nfs/dbraw/zinc/61/55/13/586615513.db2.gz BXRBGQLEWYADTF-WCQYABFASA-N 0 3 232.327 1.528 20 10 BDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000816647979 586750555 /nfs/dbraw/zinc/75/05/55/586750555.db2.gz BNZVJOYIFQIKHK-RKDXNWHRSA-N 0 3 235.283 1.961 20 10 BDCDHN CC[C@@H](O)CNCc1ccc(N(C)C)c(F)c1 ZINC000817709290 586818927 /nfs/dbraw/zinc/81/89/27/586818927.db2.gz OJXLJFPCPMIEGK-LLVKDONJSA-N 0 3 240.322 1.752 20 10 BDCDHN Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C2)c([O-])c1 ZINC000817944584 586846277 /nfs/dbraw/zinc/84/62/77/586846277.db2.gz HGRSXBNSDIXAFX-GHMZBOCLSA-N 0 3 220.316 1.713 20 10 BDCDHN CC[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000817944912 586846592 /nfs/dbraw/zinc/84/65/92/586846592.db2.gz OYTKDFREGPLTGM-CMPLNLGQSA-N 0 3 220.316 1.795 20 10 BDCDHN C[C@H]([NH2+]CCNC1CC1)c1ccc(F)cc1[O-] ZINC000817954137 586848633 /nfs/dbraw/zinc/84/86/33/586848633.db2.gz VGBWOEQFDQRIMN-VIFPVBQESA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@H](NCC[NH2+]C1CC1)c1ccc(F)cc1[O-] ZINC000817954137 586848634 /nfs/dbraw/zinc/84/86/34/586848634.db2.gz VGBWOEQFDQRIMN-VIFPVBQESA-N 0 3 238.306 1.934 20 10 BDCDHN [O-]c1cccc2c1[C@H](NC[C@@H]1CCC[NH2+]1)CC2 ZINC000817953601 586848656 /nfs/dbraw/zinc/84/86/56/586848656.db2.gz OXXXQNLHKJOAEM-NWDGAFQWSA-N 0 3 232.327 1.721 20 10 BDCDHN C[NH2+]CCN[C@H](C)c1cc(Cl)ccc1[O-] ZINC000817952804 586849387 /nfs/dbraw/zinc/84/93/87/586849387.db2.gz SUTBVAQUTIFAGP-MRVPVSSYSA-N 0 3 228.723 1.916 20 10 BDCDHN CNCC[NH2+][C@H](C)c1cc(Cl)ccc1[O-] ZINC000817952804 586849389 /nfs/dbraw/zinc/84/93/89/586849389.db2.gz SUTBVAQUTIFAGP-MRVPVSSYSA-N 0 3 228.723 1.916 20 10 BDCDHN C[C@@H]([NH2+]CC(C)(C)N)c1ccc(F)cc1[O-] ZINC000817959651 586851217 /nfs/dbraw/zinc/85/12/17/586851217.db2.gz FRDBJXXKQRFDQT-MRVPVSSYSA-N 0 3 226.295 1.919 20 10 BDCDHN C[C@@H](NCC(C)(C)[NH3+])c1ccc(F)cc1[O-] ZINC000817959651 586851218 /nfs/dbraw/zinc/85/12/18/586851218.db2.gz FRDBJXXKQRFDQT-MRVPVSSYSA-N 0 3 226.295 1.919 20 10 BDCDHN CC[C@@H](N)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817979280 586862040 /nfs/dbraw/zinc/86/20/40/586862040.db2.gz JMLJGCGPIZNPGV-WCBMZHEXSA-N 0 3 226.295 1.919 20 10 BDCDHN C[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000821390931 587116067 /nfs/dbraw/zinc/11/60/67/587116067.db2.gz FYUMQBVBOPXJAQ-NSHDSACASA-N 0 3 248.326 1.350 20 10 BDCDHN C[N@@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000821390931 587116069 /nfs/dbraw/zinc/11/60/69/587116069.db2.gz FYUMQBVBOPXJAQ-NSHDSACASA-N 0 3 248.326 1.350 20 10 BDCDHN COc1cccc(CN2CC3(CC3)C2)c1O ZINC000824533856 587274228 /nfs/dbraw/zinc/27/42/28/587274228.db2.gz QRFYOKUEALEIMS-UHFFFAOYSA-N 0 3 219.284 1.997 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726554 587284839 /nfs/dbraw/zinc/28/48/39/587284839.db2.gz NPPRMIIIAHCDKS-LBPRGKRZSA-N 0 3 243.253 1.594 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726554 587284840 /nfs/dbraw/zinc/28/48/40/587284840.db2.gz NPPRMIIIAHCDKS-LBPRGKRZSA-N 0 3 243.253 1.594 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825104009 587304295 /nfs/dbraw/zinc/30/42/95/587304295.db2.gz KGLBFHFAKZWZLV-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825104009 587304296 /nfs/dbraw/zinc/30/42/96/587304296.db2.gz KGLBFHFAKZWZLV-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cc(N(C)C)ccc1CNC/C=C\CO ZINC000826940269 587366045 /nfs/dbraw/zinc/36/60/45/587366045.db2.gz BCNRSOCYNMVCFS-PLNGDYQASA-N 0 3 234.343 1.699 20 10 BDCDHN C[C@@H](O)C1([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000827585165 587390403 /nfs/dbraw/zinc/39/04/03/587390403.db2.gz BDHZIOKTOLIBAN-MRVPVSSYSA-N 0 3 225.263 1.534 20 10 BDCDHN C[C@H](NC1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000832659107 587674525 /nfs/dbraw/zinc/67/45/25/587674525.db2.gz MKZQDJZUMJOKSQ-JTQLQIEISA-N 0 3 247.342 1.068 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCC[C@H]1O)CC2 ZINC000834912299 587770617 /nfs/dbraw/zinc/77/06/17/587770617.db2.gz CGOGVPDACVZEKX-GRYCIOLGSA-N 0 3 233.311 1.883 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1 ZINC000835061645 587779966 /nfs/dbraw/zinc/77/99/66/587779966.db2.gz UGXLYVUTJMHPMM-CQSZACIVSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1cc(N(C)C)ccc1CNC1(CO)CC1 ZINC000840937506 587930514 /nfs/dbraw/zinc/93/05/14/587930514.db2.gz VQZSJCBMCHAQAV-UHFFFAOYSA-N 0 3 234.343 1.676 20 10 BDCDHN CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000840958745 587932212 /nfs/dbraw/zinc/93/22/12/587932212.db2.gz UKOFZNOOHIXRRG-LBPRGKRZSA-N 0 3 248.326 1.302 20 10 BDCDHN CN(C)C(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000840958745 587932214 /nfs/dbraw/zinc/93/22/14/587932214.db2.gz UKOFZNOOHIXRRG-LBPRGKRZSA-N 0 3 248.326 1.302 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+][C@H]1CCCNC1 ZINC000841042616 587938474 /nfs/dbraw/zinc/93/84/74/587938474.db2.gz LTHOSMCSECAYGJ-JTQLQIEISA-N 0 3 224.279 1.373 20 10 BDCDHN [O-]c1c(F)cccc1CN[C@H]1CCC[NH2+]C1 ZINC000841042616 587938475 /nfs/dbraw/zinc/93/84/75/587938475.db2.gz LTHOSMCSECAYGJ-JTQLQIEISA-N 0 3 224.279 1.373 20 10 BDCDHN [O-]c1c(Cl)cccc1CN[C@H]1CCC[NH2+]C1 ZINC000841043842 587939231 /nfs/dbraw/zinc/93/92/31/587939231.db2.gz XIJVCPFKTOKFHU-JTQLQIEISA-N 0 3 240.734 1.887 20 10 BDCDHN CC1(C)CCCN[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000841846773 587977112 /nfs/dbraw/zinc/97/71/12/587977112.db2.gz UGUYVZVNEBGULT-GFCCVEGCSA-N 0 3 247.342 1.986 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]CCN(C)C)c1[O-] ZINC000846174756 588259238 /nfs/dbraw/zinc/25/92/38/588259238.db2.gz YXYYVWRGRHSSDE-JTQLQIEISA-N 0 3 238.331 1.613 20 10 BDCDHN CC[C@H](O)C[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846171489 588259350 /nfs/dbraw/zinc/25/93/50/588259350.db2.gz SZFVJTDKMJNOGK-ZJUUUORDSA-N 0 3 239.315 1.822 20 10 BDCDHN CCc1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000848886133 588417218 /nfs/dbraw/zinc/41/72/18/588417218.db2.gz TWAVOVCSVUHBQF-LLVKDONJSA-N 0 3 235.327 1.769 20 10 BDCDHN CCc1cccc(C[N@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000848886133 588417219 /nfs/dbraw/zinc/41/72/19/588417219.db2.gz TWAVOVCSVUHBQF-LLVKDONJSA-N 0 3 235.327 1.769 20 10 BDCDHN COc1cccc([O-])c1CN(C)CC(C)(C)[NH3+] ZINC000849350510 588474974 /nfs/dbraw/zinc/47/49/74/588474974.db2.gz OUICDOZSAUVNDU-UHFFFAOYSA-N 0 3 238.331 1.570 20 10 BDCDHN CCOc1ccc(C[NH2+]C/C=C\CO)c([O-])c1 ZINC000850357999 588538948 /nfs/dbraw/zinc/53/89/48/588538948.db2.gz YHAZDLPRGACILT-ARJAWSKDSA-N 0 3 237.299 1.429 20 10 BDCDHN Nc1ccc(NC(=O)[C@H]2NCC23CCCC3)cc1 ZINC000852824991 588706031 /nfs/dbraw/zinc/70/60/31/588706031.db2.gz FLJWSXOBPGKZFJ-GFCCVEGCSA-N 0 3 245.326 1.740 20 10 BDCDHN C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])CN1 ZINC000863485158 589293382 /nfs/dbraw/zinc/29/33/82/589293382.db2.gz VOQLEKYPDSZJMO-GXSJLCMTSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@H]1CC[C@@H](NCc2cccc(F)c2[O-])C[NH2+]1 ZINC000863485158 589293384 /nfs/dbraw/zinc/29/33/84/589293384.db2.gz VOQLEKYPDSZJMO-GXSJLCMTSA-N 0 3 238.306 1.761 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C2(CO)CC2)c1 ZINC000120384612 589409058 /nfs/dbraw/zinc/40/90/58/589409058.db2.gz LFDIPHQOZCUHIK-UHFFFAOYSA-N 0 3 207.273 1.315 20 10 BDCDHN C[C@@H]([NH2+]CC1(CO)CC1)c1cc(F)ccc1[O-] ZINC000122329478 589581476 /nfs/dbraw/zinc/58/14/76/589581476.db2.gz PUUDZRQBVGGENC-SECBINFHSA-N 0 3 239.290 1.954 20 10 BDCDHN C[C@H](NC(=O)CNC1CC1)c1ccccc1O ZINC000870988371 589706913 /nfs/dbraw/zinc/70/69/13/589706913.db2.gz NVSKQQOOFOYSNE-VIFPVBQESA-N 0 3 234.299 1.321 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266835 589902797 /nfs/dbraw/zinc/90/27/97/589902797.db2.gz NDMXYBDJYXXOAT-PHIMTYICSA-N 0 3 249.310 1.479 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266835 589902800 /nfs/dbraw/zinc/90/28/00/589902800.db2.gz NDMXYBDJYXXOAT-PHIMTYICSA-N 0 3 249.310 1.479 20 10 BDCDHN Cc1ccc(C[NH+]2CCC(CO)CC2)c([O-])c1 ZINC000876564433 590216155 /nfs/dbraw/zinc/21/61/55/590216155.db2.gz KIIIIKVQTQKIDQ-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN COCC[N@H+](CCO)Cc1c(C)cccc1[O-] ZINC000876683893 590230606 /nfs/dbraw/zinc/23/06/06/590230606.db2.gz YZYBCATXRHSAEN-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COCC[N@@H+](CCO)Cc1c(C)cccc1[O-] ZINC000876683893 590230608 /nfs/dbraw/zinc/23/06/08/590230608.db2.gz YZYBCATXRHSAEN-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000876966826 590262083 /nfs/dbraw/zinc/26/20/83/590262083.db2.gz WSCGARXBHRNGCP-SNVBAGLBSA-N 0 3 249.232 1.713 20 10 BDCDHN CNC(=O)CCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876982535 590264775 /nfs/dbraw/zinc/26/47/75/590264775.db2.gz BMXOZKOHUQFTQO-UHFFFAOYSA-N 0 3 236.315 1.316 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000876994750 590266987 /nfs/dbraw/zinc/26/69/87/590266987.db2.gz MHTRMQQKCJGADV-SNVBAGLBSA-N 0 3 234.299 1.021 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](CCO)C2CC2)c([O-])c1 ZINC000877058788 590276187 /nfs/dbraw/zinc/27/61/87/590276187.db2.gz GHOJODXPCKLMLR-CYBMUJFWSA-N 0 3 235.327 1.951 20 10 BDCDHN CC[C@H](NC)C(=O)N(C)c1ccc(N)cc1 ZINC000877074167 590278120 /nfs/dbraw/zinc/27/81/20/590278120.db2.gz APMFCCULQPHAKX-NSHDSACASA-N 0 3 221.304 1.230 20 10 BDCDHN CC(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)N(C)C ZINC000877077475 590278581 /nfs/dbraw/zinc/27/85/81/590278581.db2.gz JOYQZAIWTPUCQY-ZDUSSCGKSA-N 0 3 249.358 1.818 20 10 BDCDHN CC[C@H](C)[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077996 590279213 /nfs/dbraw/zinc/27/92/13/590279213.db2.gz YMBCGDRHKCAELM-CABZTGNLSA-N 0 3 235.331 1.605 20 10 BDCDHN COC[C@@H](O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877123844 590289659 /nfs/dbraw/zinc/28/96/59/590289659.db2.gz PRAWLXJUTGXBPG-NSHDSACASA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)N(C)C ZINC000877149612 590292618 /nfs/dbraw/zinc/29/26/18/590292618.db2.gz DPZRFPXBHVNTQL-LLVKDONJSA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)c([O-])c1 ZINC000877474396 590336143 /nfs/dbraw/zinc/33/61/43/590336143.db2.gz VBJIQQPCHKDIPN-JTQLQIEISA-N 0 3 236.315 1.267 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCCCCO ZINC000877485896 590338903 /nfs/dbraw/zinc/33/89/03/590338903.db2.gz HNGGHNRGKLIFQB-UHFFFAOYSA-N 0 3 223.316 1.953 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCNC1=O ZINC000877562599 590359542 /nfs/dbraw/zinc/35/95/42/590359542.db2.gz XNAMELWPLIMPTA-NSHDSACASA-N 0 3 234.299 1.069 20 10 BDCDHN Cc1ccc(C[NH2+]CCC2(CO)CC2)c([O-])c1 ZINC000877571415 590361777 /nfs/dbraw/zinc/36/17/77/590361777.db2.gz YHKNGXBTAKWSGH-UHFFFAOYSA-N 0 3 235.327 1.953 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H](O)C2CCC2)c([O-])c1 ZINC000877574832 590362747 /nfs/dbraw/zinc/36/27/47/590362747.db2.gz WWUDUOJTVLHDNG-AWEZNQCLSA-N 0 3 235.327 1.951 20 10 BDCDHN CCNC(=O)C1C[NH+](Cc2c(C)cccc2[O-])C1 ZINC000877580712 590364877 /nfs/dbraw/zinc/36/48/77/590364877.db2.gz NOWCZLJFQDADNQ-UHFFFAOYSA-N 0 3 248.326 1.269 20 10 BDCDHN CNC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877595664 590369608 /nfs/dbraw/zinc/36/96/08/590369608.db2.gz GXPMXPUQOPHVHC-LBPRGKRZSA-N 0 3 248.326 1.269 20 10 BDCDHN CNC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877595664 590369612 /nfs/dbraw/zinc/36/96/12/590369612.db2.gz GXPMXPUQOPHVHC-LBPRGKRZSA-N 0 3 248.326 1.269 20 10 BDCDHN Cc1ccc(C[NH2+]CC2(CC(N)=O)CC2)c([O-])c1 ZINC000877595269 590369837 /nfs/dbraw/zinc/36/98/37/590369837.db2.gz WUONFYUEIHZPCG-UHFFFAOYSA-N 0 3 248.326 1.446 20 10 BDCDHN CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877595662 590370536 /nfs/dbraw/zinc/37/05/36/590370536.db2.gz GXPMXPUQOPHVHC-GFCCVEGCSA-N 0 3 248.326 1.269 20 10 BDCDHN CNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877595662 590370539 /nfs/dbraw/zinc/37/05/39/590370539.db2.gz GXPMXPUQOPHVHC-GFCCVEGCSA-N 0 3 248.326 1.269 20 10 BDCDHN CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877639578 590382128 /nfs/dbraw/zinc/38/21/28/590382128.db2.gz BVLWZJYPBVDMCW-OLZOCXBDSA-N 0 3 221.300 1.968 20 10 BDCDHN CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650505 590843857 /nfs/dbraw/zinc/84/38/57/590843857.db2.gz FHGUFFBAWZWCBM-ZANVPECISA-N 0 3 237.299 1.383 20 10 BDCDHN Cc1cc(C)c([C@H](C)N[C@@H]2CNOC2)c(O)c1 ZINC000925862323 635559580 /nfs/dbraw/zinc/55/95/80/635559580.db2.gz OGYPTPXODZJPMT-WDEREUQCSA-N 0 3 236.315 1.563 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccccc1[O-] ZINC000927151664 637061878 /nfs/dbraw/zinc/06/18/78/637061878.db2.gz YMLXWCVQSWSBQC-DCAQKATOSA-N 0 3 221.300 1.814 20 10 BDCDHN C[C@@H]([NH2+]CC[S@](C)=O)c1ccccc1[O-] ZINC000163980436 637505542 /nfs/dbraw/zinc/50/55/42/637505542.db2.gz JBMCWKXQRIBUDW-RFAUZJTJSA-N 0 3 227.329 1.421 20 10 BDCDHN C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584584 640778386 /nfs/dbraw/zinc/77/83/86/640778386.db2.gz YEMFFIMTIKENQZ-JTQLQIEISA-N 0 3 249.289 1.906 20 10 BDCDHN CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000228356279 640871926 /nfs/dbraw/zinc/87/19/26/640871926.db2.gz QPOISAZZDOHLSD-LBPRGKRZSA-N 0 3 234.299 1.103 20 10 BDCDHN CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000228356279 640871928 /nfs/dbraw/zinc/87/19/28/640871928.db2.gz QPOISAZZDOHLSD-LBPRGKRZSA-N 0 3 234.299 1.103 20 10 BDCDHN CN(CCC[NH3+])Cc1c([O-])cccc1Cl ZINC000227742787 641738977 /nfs/dbraw/zinc/73/89/77/641738977.db2.gz YQIPICICSZLOGV-UHFFFAOYSA-N 0 3 228.723 1.826 20 10 BDCDHN C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccccc1[O-] ZINC000179558849 642726283 /nfs/dbraw/zinc/72/62/83/642726283.db2.gz ZVZBHXFMJJFVTC-ZYHUDNBSSA-N 0 3 248.326 1.478 20 10 BDCDHN C[C@@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccccc1[O-] ZINC000179558849 642726292 /nfs/dbraw/zinc/72/62/92/642726292.db2.gz ZVZBHXFMJJFVTC-ZYHUDNBSSA-N 0 3 248.326 1.478 20 10 BDCDHN COc1ccc(N(C)C[C@@H]2CNCCO2)cc1 ZINC000049973738 643572716 /nfs/dbraw/zinc/57/27/16/643572716.db2.gz CSAKZYIRQFCSBN-ZDUSSCGKSA-N 0 3 236.315 1.120 20 10 BDCDHN COc1ccc(N(C)C[C@H]2CNCCO2)cc1 ZINC000049973741 643626048 /nfs/dbraw/zinc/62/60/48/643626048.db2.gz CSAKZYIRQFCSBN-CYBMUJFWSA-N 0 3 236.315 1.120 20 10 BDCDHN COCC(COC)[NH2+][C@H](C)c1ccccc1[O-] ZINC000388444263 711878874 /nfs/dbraw/zinc/87/88/74/711878874.db2.gz URZVLQJXSNRQHY-SNVBAGLBSA-N 0 3 239.315 1.704 20 10 BDCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)(C)O ZINC000390509506 711122941 /nfs/dbraw/zinc/12/29/41/711122941.db2.gz YVYJLOWHFOYZRY-MRVPVSSYSA-N 0 3 227.279 1.780 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](C)OC ZINC000390661152 711131158 /nfs/dbraw/zinc/13/11/58/711131158.db2.gz SFVGKMOXWWMZQS-SECBINFHSA-N 0 3 225.288 1.525 20 10 BDCDHN CCN1C[C@@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC000391480878 711138148 /nfs/dbraw/zinc/13/81/48/711138148.db2.gz OHPKUMSAWBDMHJ-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@@H](C)O ZINC000386728550 711649544 /nfs/dbraw/zinc/64/95/44/711649544.db2.gz ARUAUBDJMVGVLL-KCJUWKMLSA-N 0 3 227.279 1.780 20 10 BDCDHN CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000895317468 711780605 /nfs/dbraw/zinc/78/06/05/711780605.db2.gz OWOXWLMULGCIJQ-NSHDSACASA-N 0 3 234.299 1.006 20 10 BDCDHN CN1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000704366828 712104854 /nfs/dbraw/zinc/10/48/54/712104854.db2.gz HWDJWWLDJNEHPS-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000708663936 712196515 /nfs/dbraw/zinc/19/65/15/712196515.db2.gz BBPZLOTTYKWTCE-CMPLNLGQSA-N 0 3 248.326 1.664 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCc1cn[nH]c1)CC2 ZINC000379591835 712389685 /nfs/dbraw/zinc/38/96/85/712389685.db2.gz YLSKMXMGZKVNLR-LBPRGKRZSA-N 0 3 243.310 1.935 20 10 BDCDHN CCNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037262452 712560707 /nfs/dbraw/zinc/56/07/07/712560707.db2.gz KNIWGMSXPFYIOT-NSHDSACASA-N 0 3 249.358 1.539 20 10 BDCDHN C[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000037261358 712560819 /nfs/dbraw/zinc/56/08/19/712560819.db2.gz BWNVFQBCNIUVPK-UWVGGRQHSA-N 0 3 235.331 1.277 20 10 BDCDHN COC[C@](C)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000716814768 712576197 /nfs/dbraw/zinc/57/61/97/712576197.db2.gz ZUKNGKJBTJLQIJ-LBPRGKRZSA-N 0 3 243.278 1.018 20 10 BDCDHN CCOc1ccc(CNCCF)c(O)c1 ZINC000379977573 712643712 /nfs/dbraw/zinc/64/37/12/712643712.db2.gz FKQMREPUZHQYIT-UHFFFAOYSA-N 0 3 213.252 1.850 20 10 BDCDHN CCOc1ccc(C[NH2+]CCF)c([O-])c1 ZINC000379977573 712643713 /nfs/dbraw/zinc/64/37/13/712643713.db2.gz FKQMREPUZHQYIT-UHFFFAOYSA-N 0 3 213.252 1.850 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1[O-] ZINC000038060522 712803895 /nfs/dbraw/zinc/80/38/95/712803895.db2.gz RGYADTQDGYJZCU-WDEREUQCSA-N 0 3 237.299 1.458 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000720934540 712879938 /nfs/dbraw/zinc/87/99/38/712879938.db2.gz DDHSKTPLTPNWFL-MXWKQRLJSA-N 0 3 221.300 1.814 20 10 BDCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])C(=O)NC ZINC000697888988 964642834 /nfs/dbraw/zinc/64/28/34/964642834.db2.gz KBAVPDUXTCIQJO-SNVBAGLBSA-N 0 3 222.288 1.006 20 10 BDCDHN C[C@@H]1CN(Cc2ccc(Cl)cc2[O-])C[C@H]1[NH3+] ZINC001206065474 968032293 /nfs/dbraw/zinc/03/22/93/968032293.db2.gz XJYKSFSFHUWSDM-LDYMZIIASA-N 0 3 240.734 1.825 20 10 BDCDHN COC(=O)CC1CN(Cc2cc(C)ccc2O)C1 ZINC001140621021 960466749 /nfs/dbraw/zinc/46/67/49/960466749.db2.gz MKPVSPXIEKZKFV-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN CC1(C)CN(Cc2cc(O)ccc2O)C1 ZINC001141155758 960891477 /nfs/dbraw/zinc/89/14/77/960891477.db2.gz IZFFUVCZHVNWOG-UHFFFAOYSA-N 0 3 207.273 1.940 20 10 BDCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC ZINC000697916454 964679049 /nfs/dbraw/zinc/67/90/49/964679049.db2.gz LVBDZPYDOYXYNY-KOLCDFICSA-N 0 3 236.315 1.567 20 10 BDCDHN [NH3+][C@]12CC[C@@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC001235978646 966193844 /nfs/dbraw/zinc/19/38/44/966193844.db2.gz JOKWESSICKZHHX-MFKMUULPSA-N 0 3 236.290 1.454 20 10 BDCDHN C[C@@]1(CO)CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203550238 966678223 /nfs/dbraw/zinc/67/82/23/966678223.db2.gz NUTHIZZOTUERLT-CYBMUJFWSA-N 0 3 221.300 1.597 20 10 BDCDHN C[C@@]1(CO)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550238 966678235 /nfs/dbraw/zinc/67/82/35/966678235.db2.gz NUTHIZZOTUERLT-CYBMUJFWSA-N 0 3 221.300 1.597 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCc2nncn2CC1 ZINC001203550093 966680714 /nfs/dbraw/zinc/68/07/14/966680714.db2.gz HLEGJSSNIRTCQG-UHFFFAOYSA-N 0 3 244.298 1.042 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCc2nncn2CC1 ZINC001203550093 966680718 /nfs/dbraw/zinc/68/07/18/966680718.db2.gz HLEGJSSNIRTCQG-UHFFFAOYSA-N 0 3 244.298 1.042 20 10 BDCDHN CCOc1cccc(CN2CC(CO)C2)c1O ZINC001203608976 966705638 /nfs/dbraw/zinc/70/56/38/966705638.db2.gz DLDNLDNZRREAAV-UHFFFAOYSA-N 0 3 237.299 1.215 20 10 BDCDHN COc1ccc(CN2CC(N(C)C)C2)c(O)c1 ZINC001203620979 966711806 /nfs/dbraw/zinc/71/18/06/966711806.db2.gz LXNZAODCSHIULD-UHFFFAOYSA-N 0 3 236.315 1.147 20 10 BDCDHN OC[C@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874427 966792202 /nfs/dbraw/zinc/79/22/02/966792202.db2.gz XIKZZZVSTWLTQO-NSHDSACASA-N 0 3 237.299 1.302 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC001204272294 966949842 /nfs/dbraw/zinc/94/98/42/966949842.db2.gz MNHFFSQVEDLIKJ-LLVKDONJSA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC001204272294 966949848 /nfs/dbraw/zinc/94/98/48/966949848.db2.gz MNHFFSQVEDLIKJ-LLVKDONJSA-N 0 3 237.299 1.445 20 10 BDCDHN Oc1ccc(CN2CC3(C2)CCOC3)c(O)c1 ZINC001204272562 966950161 /nfs/dbraw/zinc/95/01/61/966950161.db2.gz QFKGIJFTGCZVQD-UHFFFAOYSA-N 0 3 235.283 1.320 20 10 BDCDHN CC1(C)CN(Cc2ccc(O)cc2O)C1 ZINC001204273114 966951484 /nfs/dbraw/zinc/95/14/84/966951484.db2.gz YTOUACZZPMHTLB-UHFFFAOYSA-N 0 3 207.273 1.940 20 10 BDCDHN CC1(O)CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204272873 966951906 /nfs/dbraw/zinc/95/19/06/966951906.db2.gz UKFIGINQJBLYRO-UHFFFAOYSA-N 0 3 237.299 1.445 20 10 BDCDHN C[N@H+](Cc1ccc(O)cc1[O-])C1CCOCC1 ZINC001204271975 966954914 /nfs/dbraw/zinc/95/49/14/966954914.db2.gz FFXFYFSFMHBXPH-UHFFFAOYSA-N 0 3 237.299 1.709 20 10 BDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])C1CCOCC1 ZINC001204271975 966954921 /nfs/dbraw/zinc/95/49/21/966954921.db2.gz FFXFYFSFMHBXPH-UHFFFAOYSA-N 0 3 237.299 1.709 20 10 BDCDHN Cc1ccc(C[NH2+]CCOCCCO)c([O-])c1 ZINC001330640086 974380088 /nfs/dbraw/zinc/38/00/88/974380088.db2.gz XVTSCCWIYGIVIQ-UHFFFAOYSA-N 0 3 239.315 1.189 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172228176 974463948 /nfs/dbraw/zinc/46/39/48/974463948.db2.gz IRPWIKCKAGXBIZ-YHWZYXNKSA-N 0 3 231.295 1.968 20 10 BDCDHN C[C@@H](NC(=O)[C@H](N)CC1CC1)c1ccccc1O ZINC001330875622 974516377 /nfs/dbraw/zinc/51/63/77/974516377.db2.gz HBKNGZQKVSEMIW-BXKDBHETSA-N 0 3 248.326 1.697 20 10 BDCDHN Cc1cccc(CN2CC3(COC3)C2)c1O ZINC001231591094 977644721 /nfs/dbraw/zinc/64/47/21/977644721.db2.gz SIBQHRWNQWTODF-UHFFFAOYSA-N 0 3 219.284 1.533 20 10 BDCDHN CCc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001236795591 979741674 /nfs/dbraw/zinc/74/16/74/979741674.db2.gz WQXLEEVNILSROY-GFCCVEGCSA-N 0 3 248.326 1.262 20 10 BDCDHN CCc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC001236795591 979741685 /nfs/dbraw/zinc/74/16/85/979741685.db2.gz WQXLEEVNILSROY-GFCCVEGCSA-N 0 3 248.326 1.262 20 10 BDCDHN Cc1cc(CNCc2ccc3c(c2)CCO3)n[nH]1 ZINC000716459448 979833074 /nfs/dbraw/zinc/83/30/74/979833074.db2.gz XJSDYZUYIQVIMU-UHFFFAOYSA-N 0 3 243.310 1.943 20 10 BDCDHN CC(C)C(=O)NCCN(C)Cc1ccc(N)cc1 ZINC001345159485 980570662 /nfs/dbraw/zinc/57/06/62/980570662.db2.gz HUIQXWQLJMYKGU-UHFFFAOYSA-N 0 3 249.358 1.473 20 10 BDCDHN Oc1ccc(CN2CC[C@@]3(CCOC3)C2)cc1O ZINC001203875752 982558215 /nfs/dbraw/zinc/55/82/15/982558215.db2.gz UEOYJYZDTLXILH-CQSZACIVSA-N 0 3 249.310 1.710 20 10 BDCDHN CC[C@H](C)C[C@H](N)C(=O)NCc1ccc(N)cc1 ZINC001356237802 983588210 /nfs/dbraw/zinc/58/82/10/983588210.db2.gz AXPQFUIMNSBWCN-GWCFXTLKSA-N 0 3 249.358 1.649 20 10 BDCDHN COC(=O)N1CC(C)(NCc2ccc(N)cc2)C1 ZINC001578823378 985396376 /nfs/dbraw/zinc/39/63/76/985396376.db2.gz ZWNUEROIKVKBSM-UHFFFAOYSA-N 0 3 249.314 1.199 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+]([C@@H]1CCCOC1)CC2 ZINC001254386486 986609487 /nfs/dbraw/zinc/60/94/87/986609487.db2.gz RMGYTSSBYKATHA-GFCCVEGCSA-N 0 3 233.311 1.929 20 10 BDCDHN [O-]c1cccc2c1C[N@H+]([C@@H]1CCCOC1)CC2 ZINC001254386486 986609498 /nfs/dbraw/zinc/60/94/98/986609498.db2.gz RMGYTSSBYKATHA-GFCCVEGCSA-N 0 3 233.311 1.929 20 10 BDCDHN Cc1ccc(O)c(CNCc2cccnc2N)c1 ZINC001474635419 987786630 /nfs/dbraw/zinc/78/66/30/987786630.db2.gz WPJOPIYNOCQXDJ-UHFFFAOYSA-N 0 3 243.310 1.968 20 10 BDCDHN COc1cccc(O)c1CN1CC[C@@]12CCOC2 ZINC001117994124 987977431 /nfs/dbraw/zinc/97/74/31/987977431.db2.gz KBQRABXPQAHIQR-AWEZNQCLSA-N 0 3 249.310 1.766 20 10 BDCDHN C[C@@H]([NH3+])[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001122258238 990310066 /nfs/dbraw/zinc/31/00/66/990310066.db2.gz OZAGIZHANFCYEW-JGVFFNPUSA-N 0 3 240.278 1.131 20 10 BDCDHN COC(=O)CC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC001258348273 991279814 /nfs/dbraw/zinc/27/98/14/991279814.db2.gz KFWGBSHLSWNCAV-JTQLQIEISA-N 0 3 237.299 1.824 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC001140057114 991509581 /nfs/dbraw/zinc/50/95/81/991509581.db2.gz COQMLGAJUCUYFQ-RNCFNFMXSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC001140057114 991509592 /nfs/dbraw/zinc/50/95/92/991509592.db2.gz COQMLGAJUCUYFQ-RNCFNFMXSA-N 0 3 239.290 1.734 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140058793 991509967 /nfs/dbraw/zinc/50/99/67/991509967.db2.gz LUOLRSBJGGJMOJ-TVQRCGJNSA-N 0 3 237.274 1.752 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140058793 991509982 /nfs/dbraw/zinc/50/99/82/991509982.db2.gz LUOLRSBJGGJMOJ-TVQRCGJNSA-N 0 3 237.274 1.752 20 10 BDCDHN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140055440 991510152 /nfs/dbraw/zinc/51/01/52/991510152.db2.gz YOSGWOWLGOQEBC-BXKDBHETSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140055440 991510161 /nfs/dbraw/zinc/51/01/61/991510161.db2.gz YOSGWOWLGOQEBC-BXKDBHETSA-N 0 3 239.290 1.877 20 10 BDCDHN CC(C)CC[C@H](N)C(=O)NCc1ccc(N)cc1 ZINC001263304257 993213604 /nfs/dbraw/zinc/21/36/04/993213604.db2.gz XAGBREMBPZHWMH-ZDUSSCGKSA-N 0 3 249.358 1.649 20 10 BDCDHN CC(C)[C@@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297527036 398205668 /nfs/dbraw/zinc/20/56/68/398205668.db2.gz DJYNSFJEIMFFDT-VXGBXAGGSA-N 0 3 235.327 1.986 20 10 BDCDHN CCC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000295021950 398264527 /nfs/dbraw/zinc/26/45/27/398264527.db2.gz UXQOXDYBDXZFBN-GFCCVEGCSA-N 0 3 223.316 1.985 20 10 BDCDHN CCC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000295021950 398264530 /nfs/dbraw/zinc/26/45/30/398264530.db2.gz UXQOXDYBDXZFBN-GFCCVEGCSA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000272378026 187335975 /nfs/dbraw/zinc/33/59/75/187335975.db2.gz HIESWTNHJVMHHW-MFKMUULPSA-N 0 3 221.300 1.595 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000272378026 187335977 /nfs/dbraw/zinc/33/59/77/187335977.db2.gz HIESWTNHJVMHHW-MFKMUULPSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H](C[NH2+]Cc1ccccc1[O-])N(C)C ZINC000038088756 343060561 /nfs/dbraw/zinc/06/05/61/343060561.db2.gz IMETWNOLLUKPIG-JTQLQIEISA-N 0 3 208.305 1.432 20 10 BDCDHN CC[C@@H]([NH2+]C[C@H](C)O)c1ccccc1[O-] ZINC000035601762 343298947 /nfs/dbraw/zinc/29/89/47/343298947.db2.gz GLPQHFJETHNBNS-GXSJLCMTSA-N 0 3 209.289 1.814 20 10 BDCDHN COc1ccc(CNCCn2ccnc2)cc1C ZINC000041064151 343414880 /nfs/dbraw/zinc/41/48/80/343414880.db2.gz WPYSNMMABUDOAE-UHFFFAOYSA-N 0 3 245.326 1.990 20 10 BDCDHN Cc1cccc(C[N@@H+](C)CC(C)(C)O)c1[O-] ZINC000271875392 179064040 /nfs/dbraw/zinc/06/40/40/179064040.db2.gz SZBCRUCVDNVFHD-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[N@H+](C)CC(C)(C)O)c1[O-] ZINC000271875392 179064041 /nfs/dbraw/zinc/06/40/41/179064041.db2.gz SZBCRUCVDNVFHD-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1[O-] ZINC000128232981 179100297 /nfs/dbraw/zinc/10/02/97/179100297.db2.gz XMQCEBJYXGJSSU-NEPJUHHUSA-N 0 3 235.327 1.950 20 10 BDCDHN CC1(C)C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000280572524 351851467 /nfs/dbraw/zinc/85/14/67/351851467.db2.gz VZJZGNHNGSFBGZ-GFCCVEGCSA-N 0 3 239.290 1.734 20 10 BDCDHN CC1(C)C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000280572524 351851477 /nfs/dbraw/zinc/85/14/77/351851477.db2.gz VZJZGNHNGSFBGZ-GFCCVEGCSA-N 0 3 239.290 1.734 20 10 BDCDHN CC(C)(C)[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000262585254 188020775 /nfs/dbraw/zinc/02/07/75/188020775.db2.gz UIPPOGFEMNFZMF-GFCCVEGCSA-N 0 3 249.358 1.301 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)C1CCC1 ZINC000276117603 183068489 /nfs/dbraw/zinc/06/84/89/183068489.db2.gz XXRFNSBLIUWWDI-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)C1CCC1 ZINC000276117603 183068491 /nfs/dbraw/zinc/06/84/91/183068491.db2.gz XXRFNSBLIUWWDI-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000179871549 183274429 /nfs/dbraw/zinc/27/44/29/183274429.db2.gz JKORSLQFZOMKQX-LLVKDONJSA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000179871549 183274431 /nfs/dbraw/zinc/27/44/31/183274431.db2.gz JKORSLQFZOMKQX-LLVKDONJSA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C1CCOCC1 ZINC000036319253 183302033 /nfs/dbraw/zinc/30/20/33/183302033.db2.gz FDLHYRQLUWTWKI-UHFFFAOYSA-N 0 3 207.273 1.661 20 10 BDCDHN [O-]c1ccccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221427770 183302180 /nfs/dbraw/zinc/30/21/80/183302180.db2.gz PTCPJIJVOXCWTL-WCQYABFASA-N 0 3 232.327 1.576 20 10 BDCDHN CCC[N@@H+](Cc1ccccc1[O-])C[C@@H](C)O ZINC000194949261 169179637 /nfs/dbraw/zinc/17/96/37/169179637.db2.gz DGHLEDRPVCJGIE-LLVKDONJSA-N 0 3 223.316 1.985 20 10 BDCDHN CCC[N@H+](Cc1ccccc1[O-])C[C@@H](C)O ZINC000194949261 169179639 /nfs/dbraw/zinc/17/96/39/169179639.db2.gz DGHLEDRPVCJGIE-LLVKDONJSA-N 0 3 223.316 1.985 20 10 BDCDHN CCCN[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000294882800 169285325 /nfs/dbraw/zinc/28/53/25/169285325.db2.gz XPTICJHWPMVMCR-SECBINFHSA-N 0 3 221.304 1.595 20 10 BDCDHN CCOc1cccc(C[NH2+]C[C@@H](C)CO)c1[O-] ZINC000112017455 383889797 /nfs/dbraw/zinc/88/97/97/383889797.db2.gz YOOKFZVFJVTBEO-SNVBAGLBSA-N 0 3 239.315 1.509 20 10 BDCDHN C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccccc1[O-] ZINC000037740564 384005547 /nfs/dbraw/zinc/00/55/47/384005547.db2.gz XDTUPCLSHKKSKQ-SECBINFHSA-N 0 3 243.328 1.087 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)CO)c1 ZINC000078638541 384075374 /nfs/dbraw/zinc/07/53/74/384075374.db2.gz QRLDDCYCCLVGLD-SNVBAGLBSA-N 0 3 209.289 1.419 20 10 BDCDHN COC[C@@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070954771 384143280 /nfs/dbraw/zinc/14/32/80/384143280.db2.gz CWBMBRFQIDVQET-SNVBAGLBSA-N 0 3 209.289 1.825 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000132771909 384204743 /nfs/dbraw/zinc/20/47/43/384204743.db2.gz DDXWSEYTYWAFIY-LLVKDONJSA-N 0 3 207.273 1.613 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000132771909 384204748 /nfs/dbraw/zinc/20/47/48/384204748.db2.gz DDXWSEYTYWAFIY-LLVKDONJSA-N 0 3 207.273 1.613 20 10 BDCDHN C[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000120532694 384357187 /nfs/dbraw/zinc/35/71/87/384357187.db2.gz YEHMZRZVOOADNG-LLVKDONJSA-N 0 3 249.310 1.777 20 10 BDCDHN C[N@@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000120532694 384357191 /nfs/dbraw/zinc/35/71/91/384357191.db2.gz YEHMZRZVOOADNG-LLVKDONJSA-N 0 3 249.310 1.777 20 10 BDCDHN C[C@@H]1OCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000120821079 384384163 /nfs/dbraw/zinc/38/41/63/384384163.db2.gz GJLMVLIBOKYEQM-GXFFZTMASA-N 0 3 233.311 1.889 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000128112513 384996825 /nfs/dbraw/zinc/99/68/25/384996825.db2.gz FVGLOUWQJLPNTB-OLZOCXBDSA-N 0 3 235.327 1.950 20 10 BDCDHN CCOc1ccc(O)c(CN(C)CCO)c1 ZINC000127929145 384964563 /nfs/dbraw/zinc/96/45/63/384964563.db2.gz NZVMTTYIRKWYNK-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COC(=O)C1(C[NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000188691773 385079517 /nfs/dbraw/zinc/07/95/17/385079517.db2.gz PUUWMCQURDMASL-UHFFFAOYSA-N 0 3 249.310 1.743 20 10 BDCDHN CC[C@@H](COC)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000079732922 385035156 /nfs/dbraw/zinc/03/51/56/385035156.db2.gz PFPUQDSLZDIWCX-NSHDSACASA-N 0 3 239.315 1.915 20 10 BDCDHN Nc1ccc(NC(=O)[C@@H]2CCCCCN2)cc1 ZINC000364475683 385466102 /nfs/dbraw/zinc/46/61/02/385466102.db2.gz BZHWCHCRMUVELR-LBPRGKRZSA-N 0 3 233.315 1.740 20 10 BDCDHN C[C@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000157364185 385498847 /nfs/dbraw/zinc/49/88/47/385498847.db2.gz QXSRCUCOMYOENR-VIFPVBQESA-N 0 3 248.326 1.234 20 10 BDCDHN C[N@H+](CCc1cnccn1)Cc1ccccc1[O-] ZINC000273818383 386040524 /nfs/dbraw/zinc/04/05/24/386040524.db2.gz ZZSRZBPLGULIKF-UHFFFAOYSA-N 0 3 243.310 1.857 20 10 BDCDHN C[N@@H+](CCc1cnccn1)Cc1ccccc1[O-] ZINC000273818383 386040530 /nfs/dbraw/zinc/04/05/30/386040530.db2.gz ZZSRZBPLGULIKF-UHFFFAOYSA-N 0 3 243.310 1.857 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CO)c1 ZINC000289517181 386320051 /nfs/dbraw/zinc/32/00/51/386320051.db2.gz VCTYDJQENQJXAZ-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H](C)CO)c1 ZINC000289517181 386320055 /nfs/dbraw/zinc/32/00/55/386320055.db2.gz VCTYDJQENQJXAZ-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN COC[C@H](O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618241 386344180 /nfs/dbraw/zinc/34/41/80/386344180.db2.gz UMQYVAZUSLPPNA-LLVKDONJSA-N 0 3 243.278 1.018 20 10 BDCDHN C[C@H](C[NH2+]Cc1cc(F)ccc1[O-])N(C)C ZINC000226619576 386347347 /nfs/dbraw/zinc/34/73/47/386347347.db2.gz DJMXUNIXBOLXHS-SECBINFHSA-N 0 3 226.295 1.571 20 10 BDCDHN COC[C@@H](C[NH2+]Cc1cccc(C)c1[O-])OC ZINC000227717477 386506778 /nfs/dbraw/zinc/50/67/78/386506778.db2.gz YRIDWAUUYZRFNY-GFCCVEGCSA-N 0 3 239.315 1.452 20 10 BDCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(F)F ZINC000295127624 386692786 /nfs/dbraw/zinc/69/27/86/386692786.db2.gz XOJSIWYRSIWTRQ-ONGXEEELSA-N 0 3 245.269 1.886 20 10 BDCDHN CN(C)c1ccc(CN2C[C@@H](O)C(C)(C)C2)cc1 ZINC000279961766 386759004 /nfs/dbraw/zinc/75/90/04/386759004.db2.gz YJFPGJDNGOMTBR-CQSZACIVSA-N 0 3 248.370 1.955 20 10 BDCDHN Cn1ncc(CCC[NH2+]Cc2ccccc2[O-])n1 ZINC000293007488 386763966 /nfs/dbraw/zinc/76/39/66/386763966.db2.gz PJMARRBHQJFVKL-UHFFFAOYSA-N 0 3 246.314 1.243 20 10 BDCDHN CO[C@@H](C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000191203655 386773932 /nfs/dbraw/zinc/77/39/32/386773932.db2.gz KNUMPAKDOWJTCS-JTQLQIEISA-N 0 3 209.289 1.825 20 10 BDCDHN COC[C@@H]1CC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000293535664 386832834 /nfs/dbraw/zinc/83/28/34/386832834.db2.gz CGONFASYGWKUNL-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@@H]1CC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000293535664 386832836 /nfs/dbraw/zinc/83/28/36/386832836.db2.gz CGONFASYGWKUNL-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@@H]1CCN1Cc1cc(C)ccc1O ZINC000293535664 386832839 /nfs/dbraw/zinc/83/28/39/386832839.db2.gz CGONFASYGWKUNL-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000264977736 387357031 /nfs/dbraw/zinc/35/70/31/387357031.db2.gz SWVHMRQKIXUGLI-LLVKDONJSA-N 0 3 234.299 1.021 20 10 BDCDHN Cc1ccc(O)c(CN[C@@H]2CC(=O)N(C)C2)c1 ZINC000264977736 387357033 /nfs/dbraw/zinc/35/70/33/387357033.db2.gz SWVHMRQKIXUGLI-LLVKDONJSA-N 0 3 234.299 1.021 20 10 BDCDHN COC[C@H](CCO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000219128096 387891889 /nfs/dbraw/zinc/89/18/89/387891889.db2.gz IIUGZHSGRNGFHP-LBPRGKRZSA-N 0 3 239.315 1.188 20 10 BDCDHN C[C@H](C[S@@](C)=O)[NH2+]Cc1ccccc1[O-] ZINC000164254094 388183497 /nfs/dbraw/zinc/18/34/97/388183497.db2.gz KGQWHRSITWNHOZ-PSLIRLAXSA-N 0 3 227.329 1.249 20 10 BDCDHN CC[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297357655 388428406 /nfs/dbraw/zinc/42/84/06/388428406.db2.gz PQBATQJHLFZQES-QWRGUYRKSA-N 0 3 221.300 1.740 20 10 BDCDHN C[C@@](O)(C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000270483084 389012960 /nfs/dbraw/zinc/01/29/60/389012960.db2.gz JSLHQUMCOXJQTH-SNVBAGLBSA-N 0 3 249.232 1.795 20 10 BDCDHN Cc1n[nH]c(CC[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000272872764 389035409 /nfs/dbraw/zinc/03/54/09/389035409.db2.gz PDAYLXFRXONCDA-SECBINFHSA-N 0 3 246.314 1.712 20 10 BDCDHN CCC[C@@](C)(N)C(=O)NCCc1ccc(N)cc1 ZINC000262568222 135306410 /nfs/dbraw/zinc/30/64/10/135306410.db2.gz AKRXHGNAMVFCBI-CQSZACIVSA-N 0 3 249.358 1.445 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCOC1)CC2 ZINC000297092004 135380100 /nfs/dbraw/zinc/38/01/00/135380100.db2.gz XHHOBYKQPULUJF-RISCZKNCSA-N 0 3 249.310 1.121 20 10 BDCDHN CC1(C)[C@H]([NH2+]Cc2ccccc2[O-])C[C@@H]1O ZINC000163421273 168002284 /nfs/dbraw/zinc/00/22/84/168002284.db2.gz KOGUUWCKIQKSKL-NEPJUHHUSA-N 0 3 221.300 1.641 20 10 BDCDHN CCNC(=O)[C@@H](C)NCc1cccc(C)c1O ZINC000127869272 170088053 /nfs/dbraw/zinc/08/80/53/170088053.db2.gz QHKIFUIRJYYHID-SNVBAGLBSA-N 0 3 236.315 1.315 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000083345885 170840599 /nfs/dbraw/zinc/84/05/99/170840599.db2.gz UYJRLGQFXMVXBF-NSHDSACASA-N 0 3 209.289 1.561 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@@H]1O ZINC000271407560 171087679 /nfs/dbraw/zinc/08/76/79/171087679.db2.gz WZSGUNHIKIWNIY-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@@H]1O ZINC000271407560 171087683 /nfs/dbraw/zinc/08/76/83/171087683.db2.gz WZSGUNHIKIWNIY-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000070898405 171171069 /nfs/dbraw/zinc/17/10/69/171171069.db2.gz GXOBERAGZZVZAW-LBPRGKRZSA-N 0 3 209.289 1.643 20 10 BDCDHN CN(C)C(=O)CCNCc1ccc(N(C)C)cc1 ZINC000037751397 172360594 /nfs/dbraw/zinc/36/05/94/172360594.db2.gz MKMNWYBDLDQKAY-UHFFFAOYSA-N 0 3 249.358 1.321 20 10 BDCDHN CNC(=O)C1CCN(Cc2ccc(N)cc2)CC1 ZINC000036127514 173224966 /nfs/dbraw/zinc/22/49/66/173224966.db2.gz LSMHWRKUIBGYBU-UHFFFAOYSA-N 0 3 247.342 1.227 20 10 BDCDHN COC[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000234837642 174571602 /nfs/dbraw/zinc/57/16/02/174571602.db2.gz PPNDVANZNWUBSY-MNOVXSKESA-N 0 3 239.315 1.359 20 10 BDCDHN COc1ccc(CN[C@H]2CCCNC2=O)cc1C ZINC000050395299 175112485 /nfs/dbraw/zinc/11/24/85/175112485.db2.gz HUOOJYOIJNFDCQ-LBPRGKRZSA-N 0 3 248.326 1.372 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)CO)c1 ZINC000083215477 175158661 /nfs/dbraw/zinc/15/86/61/175158661.db2.gz LAIUGMKDMMIOLV-SECBINFHSA-N 0 3 225.288 1.119 20 10 BDCDHN COc1cccc(CN2C[C@@H](O)C3(CC3)C2)c1O ZINC000375285416 175261168 /nfs/dbraw/zinc/26/11/68/175261168.db2.gz BLMQQWHMYBISHC-GFCCVEGCSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000375285416 175261170 /nfs/dbraw/zinc/26/11/70/175261170.db2.gz BLMQQWHMYBISHC-GFCCVEGCSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1[O-] ZINC000375285416 175261171 /nfs/dbraw/zinc/26/11/71/175261171.db2.gz BLMQQWHMYBISHC-GFCCVEGCSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc(CN[C@@H](C)c2cn[nH]c2)c1O ZINC000229884881 175266607 /nfs/dbraw/zinc/26/66/07/175266607.db2.gz ARZDLLFGEDVPAO-VIFPVBQESA-N 0 3 247.298 1.975 20 10 BDCDHN COc1cccc(CN[C@H](C)CF)c1O ZINC000288453170 175267985 /nfs/dbraw/zinc/26/79/85/175267985.db2.gz NEIJHCZCFNQQMJ-MRVPVSSYSA-N 0 3 213.252 1.848 20 10 BDCDHN C[NH2+]C[C@@H](C)NCc1c([O-])cccc1OC ZINC000853248714 588728963 /nfs/dbraw/zinc/72/89/63/588728963.db2.gz IVWYSDLXQDSXSR-SECBINFHSA-N 0 3 224.304 1.098 20 10 BDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@H]3C[C@H]3C1)OCO2 ZINC000853581668 588749890 /nfs/dbraw/zinc/74/98/90/588749890.db2.gz WXJYUGCPYSAQGL-UWVGGRQHSA-N 0 3 247.294 1.963 20 10 BDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@H]3C[C@H]3C1)OCO2 ZINC000853581668 588749891 /nfs/dbraw/zinc/74/98/91/588749891.db2.gz WXJYUGCPYSAQGL-UWVGGRQHSA-N 0 3 247.294 1.963 20 10 BDCDHN C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1[O-] ZINC000725849392 582907186 /nfs/dbraw/zinc/90/71/86/582907186.db2.gz MBWOSTABWQCDOP-NSHDSACASA-N 0 3 243.310 1.903 20 10 BDCDHN CNC[C@@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000854231719 583083720 /nfs/dbraw/zinc/08/37/20/583083720.db2.gz KSAWDYFCXHIHRK-HTQZYQBOSA-N 0 3 244.285 1.929 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1CO ZINC000857061320 588884922 /nfs/dbraw/zinc/88/49/22/588884922.db2.gz OIGGLOUYIHGJDY-WCQYABFASA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1CO ZINC000857061320 588884923 /nfs/dbraw/zinc/88/49/23/588884923.db2.gz OIGGLOUYIHGJDY-WCQYABFASA-N 0 3 235.327 1.843 20 10 BDCDHN Cc1ccc(O)c(CN[C@H]2C(=O)NCC2(C)C)c1 ZINC000895316546 583648630 /nfs/dbraw/zinc/64/86/30/583648630.db2.gz PIQYRIQWRUXPJT-LBPRGKRZSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1C ZINC000895645857 583701106 /nfs/dbraw/zinc/70/11/06/583701106.db2.gz DOCUOQJXOFUNGA-TZMCWYRMSA-N 0 3 233.311 1.576 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)cc1C ZINC000895645857 583701107 /nfs/dbraw/zinc/70/11/07/583701107.db2.gz DOCUOQJXOFUNGA-TZMCWYRMSA-N 0 3 233.311 1.576 20 10 BDCDHN COC(OC)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000895789312 583727877 /nfs/dbraw/zinc/72/78/77/583727877.db2.gz JKCFTOYSGNIHJE-SNVBAGLBSA-N 0 3 239.315 1.798 20 10 BDCDHN Cc1cc(O)c(CNCc2cn[nH]n2)cc1C ZINC000858197418 588938508 /nfs/dbraw/zinc/93/85/08/588938508.db2.gz DKKATCTVXCFSRS-UHFFFAOYSA-N 0 3 232.287 1.417 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC000897675612 584035630 /nfs/dbraw/zinc/03/56/30/584035630.db2.gz AUWIAENZJMZSSZ-GXFFZTMASA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC000897675612 584035633 /nfs/dbraw/zinc/03/56/33/584035633.db2.gz AUWIAENZJMZSSZ-GXFFZTMASA-N 0 3 221.300 1.513 20 10 BDCDHN C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[O-] ZINC000902472159 584600951 /nfs/dbraw/zinc/60/09/51/584600951.db2.gz YEGRXDCRTNPZJX-LYIQGSDWSA-N 0 3 232.327 1.936 20 10 BDCDHN C[C@@H](N)[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000841076142 584740732 /nfs/dbraw/zinc/74/07/32/584740732.db2.gz ASDWYSWNJYHMOZ-SFYZADRCSA-N 0 3 212.268 1.357 20 10 BDCDHN C[C@@H]([NH3+])[C@H](C)NCc1cccc(F)c1[O-] ZINC000841076142 584740733 /nfs/dbraw/zinc/74/07/33/584740733.db2.gz ASDWYSWNJYHMOZ-SFYZADRCSA-N 0 3 212.268 1.357 20 10 BDCDHN CO[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876749412 584887008 /nfs/dbraw/zinc/88/70/08/584887008.db2.gz KAHQHSDLIWFDMU-LLVKDONJSA-N 0 3 221.300 1.921 20 10 BDCDHN CO[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876749412 584887009 /nfs/dbraw/zinc/88/70/09/584887009.db2.gz KAHQHSDLIWFDMU-LLVKDONJSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H](CO)CC2CC2)c1 ZINC000754835956 585291550 /nfs/dbraw/zinc/29/15/50/585291550.db2.gz YGJLBEFMQQXVEP-ZDUSSCGKSA-N 0 3 235.327 1.951 20 10 BDCDHN CC[N@H+](CCO)Cc1c([O-])cccc1OC ZINC000768141290 585532977 /nfs/dbraw/zinc/53/29/77/585532977.db2.gz VPYZFTMFCSNBDN-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN CC[N@@H+](CCO)Cc1c([O-])cccc1OC ZINC000768141290 585532978 /nfs/dbraw/zinc/53/29/78/585532978.db2.gz VPYZFTMFCSNBDN-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COCCN(C)Cc1c(O)cccc1OC ZINC000768241225 585534283 /nfs/dbraw/zinc/53/42/83/585534283.db2.gz PFLOEQUYWNKILF-UHFFFAOYSA-N 0 3 225.288 1.479 20 10 BDCDHN [O-]c1cc2c(cc1C[NH+]1CCCC1)[C@H](O)CO2 ZINC000768437775 585538403 /nfs/dbraw/zinc/53/84/03/585538403.db2.gz GNZPHTSQAHFVRJ-GFCCVEGCSA-N 0 3 235.283 1.414 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](OC)C1 ZINC000769447855 585556763 /nfs/dbraw/zinc/55/67/63/585556763.db2.gz YYGNHYLFMHKRPH-SNVBAGLBSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](OC)C1 ZINC000769447855 585556764 /nfs/dbraw/zinc/55/67/64/585556764.db2.gz YYGNHYLFMHKRPH-SNVBAGLBSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)CC[C@@H](C)O ZINC000769450858 585557237 /nfs/dbraw/zinc/55/72/37/585557237.db2.gz IDSNAQBHRRIXIT-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)CC[C@@H](C)O ZINC000769450858 585557238 /nfs/dbraw/zinc/55/72/38/585557238.db2.gz IDSNAQBHRRIXIT-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CCOC(=O)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000770665944 585579258 /nfs/dbraw/zinc/57/92/58/585579258.db2.gz QHLJBSWCLIXLTC-UHFFFAOYSA-N 0 3 249.310 1.825 20 10 BDCDHN CN(C)c1ccc(CN2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000783740115 585841477 /nfs/dbraw/zinc/84/14/77/585841477.db2.gz JDLWQTDMQBYNBL-HIFRSBDPSA-N 0 3 246.354 1.567 20 10 BDCDHN C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000788270029 585920193 /nfs/dbraw/zinc/92/01/93/585920193.db2.gz OIUGDDMGNQZWJU-KWQFWETISA-N 0 3 225.263 1.486 20 10 BDCDHN C[C@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000788270029 585920194 /nfs/dbraw/zinc/92/01/94/585920194.db2.gz OIUGDDMGNQZWJU-KWQFWETISA-N 0 3 225.263 1.486 20 10 BDCDHN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1[O-] ZINC000788268585 585920316 /nfs/dbraw/zinc/92/03/16/585920316.db2.gz GKHCDJNANZDBNI-MWLCHTKSSA-N 0 3 207.273 1.347 20 10 BDCDHN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1[O-] ZINC000788268585 585920317 /nfs/dbraw/zinc/92/03/17/585920317.db2.gz GKHCDJNANZDBNI-MWLCHTKSSA-N 0 3 207.273 1.347 20 10 BDCDHN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000788270030 585920351 /nfs/dbraw/zinc/92/03/51/585920351.db2.gz OIUGDDMGNQZWJU-LDYMZIIASA-N 0 3 225.263 1.486 20 10 BDCDHN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000788270030 585920352 /nfs/dbraw/zinc/92/03/52/585920352.db2.gz OIUGDDMGNQZWJU-LDYMZIIASA-N 0 3 225.263 1.486 20 10 BDCDHN COC[C@@H](O)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000801732994 586270291 /nfs/dbraw/zinc/27/02/91/586270291.db2.gz IJZAXUUIVKMGOY-LBPRGKRZSA-N 0 3 239.315 1.106 20 10 BDCDHN Cc1ccc(O)c(CN2CC[C@@](F)(CO)C2)c1 ZINC000802661121 586308715 /nfs/dbraw/zinc/30/87/15/586308715.db2.gz IZJRZYFEFXAIII-ZDUSSCGKSA-N 0 3 239.290 1.607 20 10 BDCDHN Cc1ccc(O)c(CN2CC[C@](F)(CO)C2)c1 ZINC000802661120 586309127 /nfs/dbraw/zinc/30/91/27/586309127.db2.gz IZJRZYFEFXAIII-CYBMUJFWSA-N 0 3 239.290 1.607 20 10 BDCDHN C[C@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000816647978 586750463 /nfs/dbraw/zinc/75/04/63/586750463.db2.gz BNZVJOYIFQIKHK-IUCAKERBSA-N 0 3 235.283 1.961 20 10 BDCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@@H](C)CO ZINC000816653855 586752587 /nfs/dbraw/zinc/75/25/87/586752587.db2.gz KUHOYCZOSQKNIA-VIFPVBQESA-N 0 3 227.279 1.734 20 10 BDCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@@H](C)CO ZINC000816653855 586752589 /nfs/dbraw/zinc/75/25/89/586752589.db2.gz KUHOYCZOSQKNIA-VIFPVBQESA-N 0 3 227.279 1.734 20 10 BDCDHN COc1cccc(O)c1CN1CC2(C1)CCOC2 ZINC000816672147 586753847 /nfs/dbraw/zinc/75/38/47/586753847.db2.gz RCIFTLPWBDAUQP-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN C[C@H]([NH2+]CCN)c1cc(F)cc(F)c1[O-] ZINC000817934052 586842786 /nfs/dbraw/zinc/84/27/86/586842786.db2.gz AZWOYPLNDVNFLV-LURJTMIESA-N 0 3 216.231 1.280 20 10 BDCDHN C[C@H](NCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817934052 586842788 /nfs/dbraw/zinc/84/27/88/586842788.db2.gz AZWOYPLNDVNFLV-LURJTMIESA-N 0 3 216.231 1.280 20 10 BDCDHN C[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1[O-] ZINC000817951622 586847661 /nfs/dbraw/zinc/84/76/61/586847661.db2.gz HOSVXMSNMAKAKG-ONGXEEELSA-N 0 3 238.306 1.934 20 10 BDCDHN C[NH2+]CCN[C@@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817952585 586847916 /nfs/dbraw/zinc/84/79/16/586847916.db2.gz RULDXIWTMGXGDA-PSASIEDQSA-N 0 3 238.306 1.889 20 10 BDCDHN C[C@H](NCCc1ccc(N)cc1)c1ccn(C)n1 ZINC000817957992 586850693 /nfs/dbraw/zinc/85/06/93/586850693.db2.gz RUWXARZIQYCORF-NSHDSACASA-N 0 3 244.342 1.896 20 10 BDCDHN C[C@@H](N)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817972233 586859736 /nfs/dbraw/zinc/85/97/36/586859736.db2.gz KLTCAIXGKILTEB-HTQZYQBOSA-N 0 3 212.268 1.529 20 10 BDCDHN CC1(C)CN[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556489 586900693 /nfs/dbraw/zinc/90/06/93/586900693.db2.gz VGCAZAAFDWBBAC-SNVBAGLBSA-N 0 3 219.288 1.205 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1C ZINC000825104451 587305109 /nfs/dbraw/zinc/30/51/09/587305109.db2.gz XGNUUKYSNOZOOZ-DGCLKSJQSA-N 0 3 235.327 1.964 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H]2C)cc1C ZINC000825104451 587305111 /nfs/dbraw/zinc/30/51/11/587305111.db2.gz XGNUUKYSNOZOOZ-DGCLKSJQSA-N 0 3 235.327 1.964 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@H+](Cc2ccccc2[O-])C1 ZINC000825311062 587314126 /nfs/dbraw/zinc/31/41/26/587314126.db2.gz GARUUWNZYZCRQG-PWSUYJOCSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000825311062 587314128 /nfs/dbraw/zinc/31/41/28/587314128.db2.gz GARUUWNZYZCRQG-PWSUYJOCSA-N 0 3 221.300 1.595 20 10 BDCDHN Cc1cccc(C[NH2+]C2([C@H](C)O)CC2)c1[O-] ZINC000827585746 587390190 /nfs/dbraw/zinc/39/01/90/587390190.db2.gz PIWFACRTXZLLHW-JTQLQIEISA-N 0 3 221.300 1.704 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@]1(C)CO ZINC000827700460 587397387 /nfs/dbraw/zinc/39/73/87/587397387.db2.gz UKCZMKMPXNKFOI-RISCZKNCSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@]1(C)CO ZINC000827700460 587397389 /nfs/dbraw/zinc/39/73/89/587397389.db2.gz UKCZMKMPXNKFOI-RISCZKNCSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1[O-] ZINC000834907734 587770366 /nfs/dbraw/zinc/77/03/66/587770366.db2.gz AZZKJIDDABMXSU-HZMBPMFUSA-N 0 3 248.326 1.712 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccccc1[O-] ZINC000834913064 587770665 /nfs/dbraw/zinc/77/06/65/587770665.db2.gz GJRWTRFGDASHGU-IRUJWGPZSA-N 0 3 221.300 1.956 20 10 BDCDHN NC[C@H]([NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000841028562 587936096 /nfs/dbraw/zinc/93/60/96/587936096.db2.gz PPROGUBVWFANLW-NSHDSACASA-N 0 3 224.279 1.358 20 10 BDCDHN NC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000841027445 587936809 /nfs/dbraw/zinc/93/68/09/587936809.db2.gz BEFGLMDWNBEVIR-LLVKDONJSA-N 0 3 224.279 1.358 20 10 BDCDHN COc1cccc([O-])c1CN[C@@H]1CCC[NH2+]C1 ZINC000841043054 587938863 /nfs/dbraw/zinc/93/88/63/587938863.db2.gz NMWFCPACTATEMC-SNVBAGLBSA-N 0 3 236.315 1.242 20 10 BDCDHN Cc1cc(Cl)cc(CN[C@@H]2CC[NH2+]C2)c1[O-] ZINC000841044683 587938914 /nfs/dbraw/zinc/93/89/14/587938914.db2.gz GATVGFGPIIUMQX-LLVKDONJSA-N 0 3 240.734 1.806 20 10 BDCDHN C[NH2+]CCCNCc1c([O-])cccc1Cl ZINC000841043639 587939223 /nfs/dbraw/zinc/93/92/23/587939223.db2.gz ZFWJEPLCCWBYHO-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN C[C@@H]1CCN[C@@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000841846293 587977482 /nfs/dbraw/zinc/97/74/82/587977482.db2.gz OYXOIHZAAPBHGV-BXKDBHETSA-N 0 3 233.315 1.595 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000841891055 587982038 /nfs/dbraw/zinc/98/20/38/587982038.db2.gz HGDYTPDMQDRNII-SWZMTVOYSA-N 0 3 237.299 1.404 20 10 BDCDHN CN(CCC[NH3+])Cc1cc(Cl)cc(F)c1[O-] ZINC000843051321 588077032 /nfs/dbraw/zinc/07/70/32/588077032.db2.gz WOSXXBJPJOXTPC-UHFFFAOYSA-N 0 3 246.713 1.965 20 10 BDCDHN C[N@H+](Cc1cccc(F)c1[O-])C1(CN)CCC1 ZINC000843125300 588083546 /nfs/dbraw/zinc/08/35/46/588083546.db2.gz ROXJSAPJPQHFRC-UHFFFAOYSA-N 0 3 238.306 1.845 20 10 BDCDHN C[N@@H+](Cc1cccc(F)c1[O-])C1(CN)CCC1 ZINC000843125300 588083548 /nfs/dbraw/zinc/08/35/48/588083548.db2.gz ROXJSAPJPQHFRC-UHFFFAOYSA-N 0 3 238.306 1.845 20 10 BDCDHN CN(Cc1cccc(F)c1[O-])C1(C[NH3+])CCC1 ZINC000843125300 588083550 /nfs/dbraw/zinc/08/35/50/588083550.db2.gz ROXJSAPJPQHFRC-UHFFFAOYSA-N 0 3 238.306 1.845 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844304950 588183167 /nfs/dbraw/zinc/18/31/67/588183167.db2.gz AXLGQPOHELPFOH-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)N1 ZINC000844304950 588183168 /nfs/dbraw/zinc/18/31/68/588183168.db2.gz AXLGQPOHELPFOH-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@H](C)CO)c1[O-] ZINC000846145176 588258356 /nfs/dbraw/zinc/25/83/56/588258356.db2.gz OZECMJFTQYRFQV-RKDXNWHRSA-N 0 3 225.288 1.432 20 10 BDCDHN CCc1cccc(C[N@H+](CCO)C2CC2)c1[O-] ZINC000848882046 588416380 /nfs/dbraw/zinc/41/63/80/588416380.db2.gz WGOJGTMKQBCLDJ-UHFFFAOYSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@@H+](CCO)C2CC2)c1[O-] ZINC000848882046 588416381 /nfs/dbraw/zinc/41/63/81/588416381.db2.gz WGOJGTMKQBCLDJ-UHFFFAOYSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000848903543 588418792 /nfs/dbraw/zinc/41/87/92/588418792.db2.gz WAQISUCOHCDRCV-UHFFFAOYSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1cccc(C[N@@H+](C)C2CC(O)C2)c1[O-] ZINC000848903543 588418793 /nfs/dbraw/zinc/41/87/93/588418793.db2.gz WAQISUCOHCDRCV-UHFFFAOYSA-N 0 3 235.327 1.910 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C/C=C\CO)cc1C ZINC000850357699 588538979 /nfs/dbraw/zinc/53/89/79/588538979.db2.gz RZAAUSJSMOVPFQ-ARJAWSKDSA-N 0 3 221.300 1.647 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850387951 588543242 /nfs/dbraw/zinc/54/32/42/588543242.db2.gz DOZKJYXMXWRGNY-CHWSQXEVSA-N 0 3 233.311 1.785 20 10 BDCDHN CC(C)(F)CNCc1cc2c(cc1O)OCO2 ZINC000865654977 589454673 /nfs/dbraw/zinc/45/46/73/589454673.db2.gz XPBPLDAXDFUFAP-UHFFFAOYSA-N 0 3 241.262 1.959 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)C(F)(F)F ZINC000865711766 589457950 /nfs/dbraw/zinc/45/79/50/589457950.db2.gz QIGBYQYMOODXPY-OIBJUYFYSA-N 0 3 249.232 1.794 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)C(F)(F)F ZINC000865711765 589457988 /nfs/dbraw/zinc/45/79/88/589457988.db2.gz QIGBYQYMOODXPY-GMSGAONNSA-N 0 3 249.232 1.794 20 10 BDCDHN CC(C)[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000123279004 589685139 /nfs/dbraw/zinc/68/51/39/589685139.db2.gz UBZYWAQVUCRSIA-CYBMUJFWSA-N 0 3 223.316 1.889 20 10 BDCDHN C[C@H](NC(=O)[C@@H](N)C1CCC1)c1ccccc1O ZINC000870988564 589706930 /nfs/dbraw/zinc/70/69/30/589706930.db2.gz SNMSONWTUKBZNJ-ZANVPECISA-N 0 3 248.326 1.697 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@H](O)C2)cc1C ZINC000873177417 589990050 /nfs/dbraw/zinc/99/00/50/589990050.db2.gz KPLVYKLXKXOROV-AULYBMBSSA-N 0 3 235.327 1.870 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](CCO)CC1CC1 ZINC000876639271 590225103 /nfs/dbraw/zinc/22/51/03/590225103.db2.gz NLIRFMQPFRVNCG-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](CCO)CC1CC1 ZINC000876639271 590225105 /nfs/dbraw/zinc/22/51/05/590225105.db2.gz NLIRFMQPFRVNCG-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC000876689979 590231148 /nfs/dbraw/zinc/23/11/48/590231148.db2.gz CZRLMTGEYSEJNF-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc(C[N@H+](C)[C@@H]2CCOC2)c([O-])c1 ZINC000876689979 590231150 /nfs/dbraw/zinc/23/11/50/590231150.db2.gz CZRLMTGEYSEJNF-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc(CN2CCNC(=O)CC2)c(O)c1 ZINC000876692474 590231237 /nfs/dbraw/zinc/23/12/37/590231237.db2.gz UJCVNZBITOJNAY-UHFFFAOYSA-N 0 3 234.299 1.023 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CC[C@H](C)O ZINC000876745424 590236609 /nfs/dbraw/zinc/23/66/09/590236609.db2.gz HJSJSPZZEVFYLF-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CC[C@H](C)O ZINC000876745424 590236610 /nfs/dbraw/zinc/23/66/10/590236610.db2.gz HJSJSPZZEVFYLF-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCCCNC2=O)c([O-])c1 ZINC000876926450 590257793 /nfs/dbraw/zinc/25/77/93/590257793.db2.gz VIEFZVUQHHASES-LBPRGKRZSA-N 0 3 248.326 1.459 20 10 BDCDHN COC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877028020 590271474 /nfs/dbraw/zinc/27/14/74/590271474.db2.gz UXQXPCZKDGKHNR-ZDUSSCGKSA-N 0 3 239.315 1.188 20 10 BDCDHN C[C@@H]1CCN[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877076705 590278597 /nfs/dbraw/zinc/27/85/97/590278597.db2.gz UDDXLQQQDSQLFI-ZWNOBZJWSA-N 0 3 247.342 1.620 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCc1cnccn1 ZINC000877131303 590290501 /nfs/dbraw/zinc/29/05/01/590290501.db2.gz YMQOZKNTNOFOCB-UHFFFAOYSA-N 0 3 243.310 1.823 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCc1ccnn1C ZINC000877362920 590318788 /nfs/dbraw/zinc/31/87/88/590318788.db2.gz LFXQHHYHVPYXLG-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c([O-])c1 ZINC000877430718 590326490 /nfs/dbraw/zinc/32/64/90/590326490.db2.gz POQAZVNFQOALQQ-CHWSQXEVSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H](C)CO ZINC000877526810 590347804 /nfs/dbraw/zinc/34/78/04/590347804.db2.gz LVNQDWKNJBSOKW-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)[C@H](C)CO ZINC000877526810 590347807 /nfs/dbraw/zinc/34/78/07/590347807.db2.gz LVNQDWKNJBSOKW-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCc1cn(C)cn1 ZINC000877581951 590365749 /nfs/dbraw/zinc/36/57/49/590365749.db2.gz AZFZNIXOUCMHPJ-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000877593273 590369128 /nfs/dbraw/zinc/36/91/28/590369128.db2.gz RHKUUPYECLYRHO-GSJFWJNXSA-N 0 3 221.300 1.704 20 10 BDCDHN Cc1ccc(C[NH+]2CC(C)(C(N)=O)C2)c([O-])c1 ZINC000877603217 590371828 /nfs/dbraw/zinc/37/18/28/590371828.db2.gz HXDPNHHWHDIPMQ-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H](C)CCO ZINC000877614611 590373910 /nfs/dbraw/zinc/37/39/10/590373910.db2.gz FRRYHKXSPRQMCP-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H](C)CCO ZINC000877614611 590373914 /nfs/dbraw/zinc/37/39/14/590373914.db2.gz FRRYHKXSPRQMCP-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](CO)C2CCC2)c([O-])c1 ZINC000877622054 590375483 /nfs/dbraw/zinc/37/54/83/590375483.db2.gz DSDQTLVSRQDOAZ-ZDUSSCGKSA-N 0 3 235.327 1.951 20 10 BDCDHN C[C@H]1CCN[C@H](C(=O)NCc2ccccc2O)C1 ZINC000127714437 590757751 /nfs/dbraw/zinc/75/77/51/590757751.db2.gz SGBABAVXEMQNQV-JQWIXIFHSA-N 0 3 248.326 1.397 20 10 BDCDHN COCC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000132703700 591731164 /nfs/dbraw/zinc/73/11/64/591731164.db2.gz YCVVFCBDLUXTCJ-UHFFFAOYSA-N 0 3 209.289 1.779 20 10 BDCDHN COCC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000132703700 591731166 /nfs/dbraw/zinc/73/11/66/591731166.db2.gz YCVVFCBDLUXTCJ-UHFFFAOYSA-N 0 3 209.289 1.779 20 10 BDCDHN COC(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000133023453 591757299 /nfs/dbraw/zinc/75/72/99/591757299.db2.gz QSVCDZUVZKGSSS-UHFFFAOYSA-N 0 3 209.289 1.907 20 10 BDCDHN CN[C@@H](CC(C)C)C(=O)Nc1ccc(N)cc1 ZINC000884009460 591796718 /nfs/dbraw/zinc/79/67/18/591796718.db2.gz WZFMPNOVXPSHRC-LBPRGKRZSA-N 0 3 235.331 1.841 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)CO)c1 ZINC000133528867 591819749 /nfs/dbraw/zinc/81/97/49/591819749.db2.gz QYUONPPBQNKVSB-UHFFFAOYSA-N 0 3 223.316 1.809 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccccc1[O-] ZINC000135718873 592033783 /nfs/dbraw/zinc/03/37/83/592033783.db2.gz WGDJEZFLUWTWHE-ZJUUUORDSA-N 0 3 248.326 1.710 20 10 BDCDHN CCN(CC[NH3+])Cc1cc(Cl)ccc1[O-] ZINC000300799236 592520507 /nfs/dbraw/zinc/52/05/07/592520507.db2.gz ITHBNUNBDYMNHC-UHFFFAOYSA-N 0 3 228.723 1.826 20 10 BDCDHN CC1(C)COC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000313109053 634451136 /nfs/dbraw/zinc/45/11/36/634451136.db2.gz CYHSRBWSHFTSGX-GFCCVEGCSA-N 0 3 221.300 1.907 20 10 BDCDHN CC(=O)NCCN(C)Cc1cccc(C)c1O ZINC000308319666 631284760 /nfs/dbraw/zinc/28/47/60/631284760.db2.gz XTXHBBASJSOJST-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN CN(C)CC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000308608439 631343187 /nfs/dbraw/zinc/34/31/87/631343187.db2.gz MUYCRVALFYCURR-UHFFFAOYSA-N 0 3 222.332 1.822 20 10 BDCDHN CC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000162197974 632548489 /nfs/dbraw/zinc/54/84/89/632548489.db2.gz LYTVOLGQKZRPPR-ZJUUUORDSA-N 0 3 209.289 1.814 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000236547777 632972556 /nfs/dbraw/zinc/97/25/56/632972556.db2.gz SQMNFJDJQVRQGV-GFCCVEGCSA-N 0 3 225.263 1.392 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](CO)CC1 ZINC000294100235 633752755 /nfs/dbraw/zinc/75/27/55/633752755.db2.gz RZZTZBIDJZAPRL-LBPRGKRZSA-N 0 3 235.327 1.987 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](CO)CC1 ZINC000294100235 633752765 /nfs/dbraw/zinc/75/27/65/633752765.db2.gz RZZTZBIDJZAPRL-LBPRGKRZSA-N 0 3 235.327 1.987 20 10 BDCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC000190067278 634185051 /nfs/dbraw/zinc/18/50/51/634185051.db2.gz GNGPUJGEVDVCBG-CABZTGNLSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC000190067278 634185058 /nfs/dbraw/zinc/18/50/58/634185058.db2.gz GNGPUJGEVDVCBG-CABZTGNLSA-N 0 3 239.290 1.734 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])CC1CC(O)C1 ZINC000191159483 634205010 /nfs/dbraw/zinc/20/50/10/634205010.db2.gz SQBJBSFEBFIZMQ-UHFFFAOYSA-N 0 3 221.300 1.595 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])CC1CC(O)C1 ZINC000191159483 634205016 /nfs/dbraw/zinc/20/50/16/634205016.db2.gz SQBJBSFEBFIZMQ-UHFFFAOYSA-N 0 3 221.300 1.595 20 10 BDCDHN CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1[O-] ZINC000079928565 636862147 /nfs/dbraw/zinc/86/21/47/636862147.db2.gz VTQOEWQEHIUIDB-CMPLNLGQSA-N 0 3 248.326 1.712 20 10 BDCDHN CNC(=O)C[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000322803382 636881309 /nfs/dbraw/zinc/88/13/09/636881309.db2.gz RBGVDAMXOJVPJO-KOLCDFICSA-N 0 3 248.326 1.494 20 10 BDCDHN CC[C@H]([NH2+]CCCON)c1ccccc1[O-] ZINC000902425888 637305325 /nfs/dbraw/zinc/30/53/25/637305325.db2.gz OSBMAPAVTITKDN-NSHDSACASA-N 0 3 224.304 1.713 20 10 BDCDHN Nc1ccc(NC(=O)[C@]23C[C@H]2CCCN3)cc1 ZINC000911661841 639694070 /nfs/dbraw/zinc/69/40/70/639694070.db2.gz XWFDRQNCESTZNV-RNCFNFMXSA-N 0 3 231.299 1.349 20 10 BDCDHN COC[C@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610317 640777454 /nfs/dbraw/zinc/77/74/54/640777454.db2.gz XYNOWUGMXRZYGU-NSHDSACASA-N 0 3 243.278 1.018 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1COCCO1 ZINC000226585515 640778839 /nfs/dbraw/zinc/77/88/39/640778839.db2.gz JUUDPLWHSZPMTR-LLVKDONJSA-N 0 3 241.262 1.036 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H](C)C[C@@H](C)O ZINC000782977464 644749282 /nfs/dbraw/zinc/74/92/82/644749282.db2.gz FXFSVXNQGGFYMZ-NXEZZACHSA-N 0 3 239.315 1.650 20 10 BDCDHN C[C@H]1[C@@H]([NH3+])CCN1Cc1c([O-])cccc1Cl ZINC000390561005 711125037 /nfs/dbraw/zinc/12/50/37/711125037.db2.gz KFNVKIPLAURRBI-KWQFWETISA-N 0 3 240.734 1.967 20 10 BDCDHN C[C@H](NCc1cn[nH]n1)c1ccccc1O ZINC000398319862 711585126 /nfs/dbraw/zinc/58/51/26/711585126.db2.gz YSHHTVNQAXGNTJ-QMMMGPOBSA-N 0 3 218.260 1.361 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)CC2 ZINC000707622208 712176257 /nfs/dbraw/zinc/17/62/57/712176257.db2.gz XBPKFBOQYPTHQL-WCQGTBRESA-N 0 3 233.311 1.740 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccccc1[O-] ZINC000707764253 712177748 /nfs/dbraw/zinc/17/77/48/712177748.db2.gz ZUKHDPDGGBZLLL-JQWIXIFHSA-N 0 3 248.326 1.664 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(F)ccc1[O-] ZINC000378722354 712358493 /nfs/dbraw/zinc/35/84/93/712358493.db2.gz GWJJWRNSQHWAPX-HNBZJPLGSA-N 0 3 225.263 1.705 20 10 BDCDHN CN1CC[C@@H]1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000712581810 712433423 /nfs/dbraw/zinc/43/34/23/712433423.db2.gz PSYZIFWNDNLLNS-VXGBXAGGSA-N 0 3 232.327 1.673 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]C/C=C\CO)c([O-])c1 ZINC000717531290 712660435 /nfs/dbraw/zinc/66/04/35/712660435.db2.gz DPJUROGCWZQKRK-BYCRGOAPSA-N 0 3 221.300 1.900 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C/C=C/CO)CC2 ZINC000717531863 712660472 /nfs/dbraw/zinc/66/04/72/712660472.db2.gz IJADYHRJSWGVKJ-FMBMQGQPSA-N 0 3 219.284 1.518 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000720951951 712882485 /nfs/dbraw/zinc/88/24/85/712882485.db2.gz TVRWWJFQSJCONN-FXPVBKGRSA-N 0 3 239.290 1.953 20 10 BDCDHN CCOc1cccc(CN2CCC2)c1O ZINC001203602331 966699674 /nfs/dbraw/zinc/69/96/74/966699674.db2.gz PTHLONVCEHZEPF-UHFFFAOYSA-N 0 3 207.273 1.997 20 10 BDCDHN COc1ccc(C[NH+]2CC(C)C2)c([O-])c1 ZINC001203621004 966710723 /nfs/dbraw/zinc/71/07/23/966710723.db2.gz NASCCMFYWUMJMW-UHFFFAOYSA-N 0 3 207.273 1.853 20 10 BDCDHN [O-]c1cccc(Cl)c1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001345103104 980549513 /nfs/dbraw/zinc/54/95/13/980549513.db2.gz BGQDGEMCHXEZDZ-JDICNCQASA-N 0 3 238.718 1.353 20 10 BDCDHN C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccccc1[O-] ZINC000305748067 970789805 /nfs/dbraw/zinc/78/98/05/970789805.db2.gz UKYKTTQYKFSUHN-NEPJUHHUSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CC[C@H](CO)C[N@H+]1Cc1ccccc1[O-] ZINC000305748067 970789813 /nfs/dbraw/zinc/78/98/13/970789813.db2.gz UKYKTTQYKFSUHN-NEPJUHHUSA-N 0 3 235.327 1.985 20 10 BDCDHN COC[C@@H](CC[NH2+]Cc1ccccc1[O-])OC ZINC000694374739 959846578 /nfs/dbraw/zinc/84/65/78/959846578.db2.gz QSFIOYFUGPNNGC-GFCCVEGCSA-N 0 3 239.315 1.533 20 10 BDCDHN Cc1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001140948715 960744488 /nfs/dbraw/zinc/74/44/88/960744488.db2.gz XCIWCBBYXWJMKH-UHFFFAOYSA-N 0 3 233.311 1.657 20 10 BDCDHN Oc1ccc(O)c(CN2CCN(C3CC3)CC2)c1 ZINC001141155634 960890812 /nfs/dbraw/zinc/89/08/12/960890812.db2.gz CDIUFMWPHCJQDX-UHFFFAOYSA-N 0 3 248.326 1.378 20 10 BDCDHN O=C1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001141157322 960895636 /nfs/dbraw/zinc/89/56/36/960895636.db2.gz GGMWHUVNDAWQGQ-PHIMTYICSA-N 0 3 247.294 1.794 20 10 BDCDHN [NH3+][C@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001236169171 966283982 /nfs/dbraw/zinc/28/39/82/966283982.db2.gz BCEZGPIEPBPJIA-JTQLQIEISA-N 0 3 226.707 1.579 20 10 BDCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH3+])C2)cc1Cl ZINC001236173929 966293675 /nfs/dbraw/zinc/29/36/75/966293675.db2.gz RSVDAQMKZGXKRT-SNVBAGLBSA-N 0 3 240.734 1.887 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236281901 966331269 /nfs/dbraw/zinc/33/12/69/966331269.db2.gz CCKPTLFBOOBPMJ-GXSJLCMTSA-N 0 3 238.718 1.449 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@]1(C)O ZINC001203549928 966673485 /nfs/dbraw/zinc/67/34/85/966673485.db2.gz DASBWCQDWBAZNA-SMDDNHRTSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@]1(C)O ZINC001203549928 966673489 /nfs/dbraw/zinc/67/34/89/966673489.db2.gz DASBWCQDWBAZNA-SMDDNHRTSA-N 0 3 235.327 1.985 20 10 BDCDHN Oc1ccc(CN2CCCC[C@@H](O)C2)cc1O ZINC001203875836 966806430 /nfs/dbraw/zinc/80/64/30/966806430.db2.gz XBBKXRHHSGVRGR-LLVKDONJSA-N 0 3 237.299 1.445 20 10 BDCDHN C[C@@H]1C[C@@H](O)CN1Cc1ccc(O)c(O)c1 ZINC001203875832 966806971 /nfs/dbraw/zinc/80/69/71/966806971.db2.gz WUPGVKPLVGJJFA-PSASIEDQSA-N 0 3 223.272 1.053 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC001333027933 975374642 /nfs/dbraw/zinc/37/46/42/975374642.db2.gz OPTMLZJYRPROTL-LBPRGKRZSA-N 0 3 237.299 1.239 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1COCCO1 ZINC001333027933 975374655 /nfs/dbraw/zinc/37/46/55/975374655.db2.gz OPTMLZJYRPROTL-LBPRGKRZSA-N 0 3 237.299 1.239 20 10 BDCDHN CN(C)c1ccc(CN2CC(N(C)C)C2)c(O)c1 ZINC001232834962 978310963 /nfs/dbraw/zinc/31/09/63/978310963.db2.gz SHHVVRTUAMLMKQ-UHFFFAOYSA-N 0 3 249.358 1.204 20 10 BDCDHN [NH3+][C@@]12C[C@@H]1CN(Cc1cc(F)ccc1[O-])C2 ZINC001236022309 979313824 /nfs/dbraw/zinc/31/38/24/979313824.db2.gz CZODEMXFSBRHPH-BXKDBHETSA-N 0 3 222.263 1.064 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](O)C[C@H]1C ZINC001237484514 979912220 /nfs/dbraw/zinc/91/22/20/979912220.db2.gz DTAPKLIHNAOTMO-GHMZBOCLSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](O)C[C@H]1C ZINC001237484514 979912228 /nfs/dbraw/zinc/91/22/28/979912228.db2.gz DTAPKLIHNAOTMO-GHMZBOCLSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc(O)c1CN1CCCC[C@H]1C(N)=O ZINC001237489079 979919362 /nfs/dbraw/zinc/91/93/62/979919362.db2.gz DRAIABVFGIGEGZ-LBPRGKRZSA-N 0 3 248.326 1.540 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690779166 987280224 /nfs/dbraw/zinc/28/02/24/987280224.db2.gz AEVXFSPOLMLKGW-CHWSQXEVSA-N 0 3 233.311 1.861 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690779166 987280235 /nfs/dbraw/zinc/28/02/35/987280235.db2.gz AEVXFSPOLMLKGW-CHWSQXEVSA-N 0 3 233.311 1.861 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCOCCCO ZINC001325700386 989233789 /nfs/dbraw/zinc/23/37/89/989233789.db2.gz IGDJARJHMCWDGA-UHFFFAOYSA-N 0 3 243.278 1.020 20 10 BDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]2C)c([O-])c1 ZINC001249178849 989261747 /nfs/dbraw/zinc/26/17/47/989261747.db2.gz WMSFNILGIOYYHP-JTQLQIEISA-N 0 3 249.310 1.702 20 10 BDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@@H]2C)c([O-])c1 ZINC001249178849 989261754 /nfs/dbraw/zinc/26/17/54/989261754.db2.gz WMSFNILGIOYYHP-JTQLQIEISA-N 0 3 249.310 1.702 20 10 BDCDHN C[C@@H](C(=O)NCc1c([O-])cccc1F)[C@H](C)[NH3+] ZINC001122258239 990309219 /nfs/dbraw/zinc/30/92/19/990309219.db2.gz OZAGIZHANFCYEW-SFYZADRCSA-N 0 3 240.278 1.131 20 10 BDCDHN C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC001122258237 990309679 /nfs/dbraw/zinc/30/96/79/990309679.db2.gz OZAGIZHANFCYEW-HTQZYQBOSA-N 0 3 240.278 1.131 20 10 BDCDHN Cc1cc(CN2CC(N(C)C)C2)ccc1N(C)C ZINC001139670209 990805026 /nfs/dbraw/zinc/80/50/26/990805026.db2.gz ZXMVAJSFWTYOOT-UHFFFAOYSA-N 0 3 247.386 1.807 20 10 BDCDHN CC1(C[NH3+])CN(Cc2cc(F)ccc2[O-])C1 ZINC001206723288 990880310 /nfs/dbraw/zinc/88/03/10/990880310.db2.gz NUCBIHYMSFVFMZ-UHFFFAOYSA-N 0 3 224.279 1.312 20 10 BDCDHN COC(=O)CC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC001258348274 991278729 /nfs/dbraw/zinc/27/87/29/991278729.db2.gz KFWGBSHLSWNCAV-SNVBAGLBSA-N 0 3 237.299 1.824 20 10 BDCDHN Cc1cc(CN2CC(CO)C2)ccc1N(C)C ZINC001139671997 991315397 /nfs/dbraw/zinc/31/53/97/991315397.db2.gz QUTMSUNEVZKTPW-UHFFFAOYSA-N 0 3 234.343 1.485 20 10 BDCDHN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140055442 991508845 /nfs/dbraw/zinc/50/88/45/991508845.db2.gz YOSGWOWLGOQEBC-SKDRFNHKSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140055442 991508855 /nfs/dbraw/zinc/50/88/55/991508855.db2.gz YOSGWOWLGOQEBC-SKDRFNHKSA-N 0 3 239.290 1.877 20 10 BDCDHN Oc1ccc(F)cc1CN1CC[C@H](F)[C@@H](O)C1 ZINC001140058321 991509092 /nfs/dbraw/zinc/50/90/92/991509092.db2.gz WWOVZAHNKOIAON-JQWIXIFHSA-N 0 3 243.253 1.436 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@H]1CO ZINC001140053255 991511201 /nfs/dbraw/zinc/51/12/01/991511201.db2.gz XFRNCNQTFAWGQK-LBPRGKRZSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@H]1CO ZINC001140053255 991511210 /nfs/dbraw/zinc/51/12/10/991511210.db2.gz XFRNCNQTFAWGQK-LBPRGKRZSA-N 0 3 239.290 1.878 20 10 BDCDHN Cc1ccc(C)c(CN2C[C@@H]3C[C@H]2CO3)c1O ZINC001140182769 991558642 /nfs/dbraw/zinc/55/86/42/991558642.db2.gz ZRMQCJGCBXNIQP-RYUDHWBXSA-N 0 3 233.311 1.982 20 10 BDCDHN C[C@@H]1[C@H]([NH3+])CCN1Cc1c([O-])cccc1Cl ZINC000390561006 993797143 /nfs/dbraw/zinc/79/71/43/993797143.db2.gz KFNVKIPLAURRBI-LDYMZIIASA-N 0 3 240.734 1.967 20 10 BDCDHN Cc1ccc(O)c(CNC[C@@H](O)C(F)(F)F)c1 ZINC000226646635 192027670 /nfs/dbraw/zinc/02/76/70/192027670.db2.gz OTOAGTMUTJZYCL-SNVBAGLBSA-N 0 3 249.232 1.713 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1C ZINC000367787053 178196980 /nfs/dbraw/zinc/19/69/80/178196980.db2.gz ZEGKQUJIBDYPFZ-WDNDVIMCSA-N 0 3 247.338 1.679 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1C ZINC000367787053 178196982 /nfs/dbraw/zinc/19/69/82/178196982.db2.gz ZEGKQUJIBDYPFZ-WDNDVIMCSA-N 0 3 247.338 1.679 20 10 BDCDHN CC[C@@H]([NH2+][C@H](C)CO)c1ccccc1[O-] ZINC000035602848 343299657 /nfs/dbraw/zinc/29/96/57/343299657.db2.gz YWQZBLCLTGPWSI-MWLCHTKSSA-N 0 3 209.289 1.814 20 10 BDCDHN CN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000037267169 343342084 /nfs/dbraw/zinc/34/20/84/343342084.db2.gz OUHXWXWLOYLUOO-UHFFFAOYSA-N 0 3 220.316 1.576 20 10 BDCDHN Cc1cccc(C[N@H+](C)CCCCO)c1[O-] ZINC000276519128 179065806 /nfs/dbraw/zinc/06/58/06/179065806.db2.gz BYVWCHQLLYYOTG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1cccc(C[N@@H+](C)CCCCO)c1[O-] ZINC000276519128 179065808 /nfs/dbraw/zinc/06/58/08/179065808.db2.gz BYVWCHQLLYYOTG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000191181110 179079235 /nfs/dbraw/zinc/07/92/35/179079235.db2.gz NWQFSAFSAFKIFK-MFKMUULPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1[O-] ZINC000191181110 179079236 /nfs/dbraw/zinc/07/92/36/179079236.db2.gz NWQFSAFSAFKIFK-MFKMUULPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCN3CCC2CC3)c1[O-] ZINC000368044774 179076891 /nfs/dbraw/zinc/07/68/91/179076891.db2.gz UCZITHQWEZUPMX-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1cccc(C[N@H+]2CCN3CCC2CC3)c1[O-] ZINC000368044774 179076892 /nfs/dbraw/zinc/07/68/92/179076892.db2.gz UCZITHQWEZUPMX-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000272568230 179082521 /nfs/dbraw/zinc/08/25/21/179082521.db2.gz VHBPEGLBXDRAEN-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1[O-] ZINC000272568230 179082523 /nfs/dbraw/zinc/08/25/23/179082523.db2.gz VHBPEGLBXDRAEN-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCCO2)c1[O-] ZINC000083351373 179092861 /nfs/dbraw/zinc/09/28/61/179092861.db2.gz VDUVSYJXBGXLOF-LBPRGKRZSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1[O-] ZINC000165163834 179092865 /nfs/dbraw/zinc/09/28/65/179092865.db2.gz ZWWSCTOCUUOECT-GFCCVEGCSA-N 0 3 221.300 1.561 20 10 BDCDHN CC[C@@H](O)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000164767589 346624309 /nfs/dbraw/zinc/62/43/09/346624309.db2.gz DOGUANWAVADDLT-LLVKDONJSA-N 0 3 239.315 1.651 20 10 BDCDHN CC[N@H+](Cc1cc(F)ccc1[O-])[C@H](C)CO ZINC000292774764 352328168 /nfs/dbraw/zinc/32/81/68/352328168.db2.gz KUHOYCZOSQKNIA-SECBINFHSA-N 0 3 227.279 1.734 20 10 BDCDHN CC[N@@H+](Cc1cc(F)ccc1[O-])[C@H](C)CO ZINC000292774764 352328174 /nfs/dbraw/zinc/32/81/74/352328174.db2.gz KUHOYCZOSQKNIA-SECBINFHSA-N 0 3 227.279 1.734 20 10 BDCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)C(F)F ZINC000295127620 353801684 /nfs/dbraw/zinc/80/16/84/353801684.db2.gz XOJSIWYRSIWTRQ-MWLCHTKSSA-N 0 3 245.269 1.886 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CCC(CO)CC1 ZINC000128550513 183040528 /nfs/dbraw/zinc/04/05/28/183040528.db2.gz PXKLOIBMPVTPIE-UHFFFAOYSA-N 0 3 221.300 1.597 20 10 BDCDHN O[C@H]1C[C@@H](NCc2ccc3c(c2)CCO3)C1 ZINC000294881936 183248000 /nfs/dbraw/zinc/24/80/00/183248000.db2.gz QDZOIYIRDNUZTM-TXEJJXNPSA-N 0 3 219.284 1.234 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000226612931 183274873 /nfs/dbraw/zinc/27/48/73/183274873.db2.gz JEZSBSUPELOPSQ-SKDRFNHKSA-N 0 3 239.290 1.782 20 10 BDCDHN [O-]c1c(O)cccc1C[NH2+]C1CCOCC1 ZINC000041049430 183288965 /nfs/dbraw/zinc/28/89/65/183288965.db2.gz PYSDLHQZKWGSPQ-UHFFFAOYSA-N 0 3 223.272 1.366 20 10 BDCDHN CCCN(Cc1ccccc1O)C(=O)CNC ZINC000236732041 169177457 /nfs/dbraw/zinc/17/74/57/169177457.db2.gz LRIGTJVPNDLKIE-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H]1CCNC1=O ZINC000178206700 169178866 /nfs/dbraw/zinc/17/88/66/169178866.db2.gz SGYIFWYZKVLXTB-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H]1CCNC1=O ZINC000178206700 169178868 /nfs/dbraw/zinc/17/88/68/169178868.db2.gz SGYIFWYZKVLXTB-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN CC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825881 384164642 /nfs/dbraw/zinc/16/46/42/384164642.db2.gz IXCMILYGPWOQQA-LBPRGKRZSA-N 0 3 235.331 1.106 20 10 BDCDHN COC[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132677714 384245034 /nfs/dbraw/zinc/24/50/34/384245034.db2.gz JYUNMHOYPDMNQM-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN COC[C@@H](C)[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132677714 384245037 /nfs/dbraw/zinc/24/50/37/384245037.db2.gz JYUNMHOYPDMNQM-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN C[C@@H]([NH2+]CC(C)(C)O)c1ccccc1[O-] ZINC000083461043 384306159 /nfs/dbraw/zinc/30/61/59/384306159.db2.gz DBRYTHBIAFUBQP-SECBINFHSA-N 0 3 209.289 1.814 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CO)c([O-])c1 ZINC000035602319 384411254 /nfs/dbraw/zinc/41/12/54/384411254.db2.gz VXJYERNHSDQEKW-VHSXEESVSA-N 0 3 209.289 1.732 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CO)c1 ZINC000035629076 384417019 /nfs/dbraw/zinc/41/70/19/384417019.db2.gz RIBKYERJTKUHEX-ZJUUUORDSA-N 0 3 209.289 1.732 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1cnn(C)c1 ZINC000135192527 384421239 /nfs/dbraw/zinc/42/12/39/384421239.db2.gz YKXHMFXHNJGHDZ-SNVBAGLBSA-N 0 3 231.299 1.977 20 10 BDCDHN CN(C)CCC[NH2+]Cc1ccccc1[O-] ZINC000019958357 384561841 /nfs/dbraw/zinc/56/18/41/384561841.db2.gz MULAZUQKYDJFFW-UHFFFAOYSA-N 0 3 208.305 1.434 20 10 BDCDHN CN(C)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000083354765 384763350 /nfs/dbraw/zinc/76/33/50/384763350.db2.gz XVQFOPHOHPFFMX-UHFFFAOYSA-N 0 3 226.295 1.573 20 10 BDCDHN C[C@H](O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000128553241 384952436 /nfs/dbraw/zinc/95/24/36/384952436.db2.gz LSZUNGOHHAEWRB-JTQLQIEISA-N 0 3 209.289 1.595 20 10 BDCDHN C[C@H](O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000128553241 384952440 /nfs/dbraw/zinc/95/24/40/384952440.db2.gz LSZUNGOHHAEWRB-JTQLQIEISA-N 0 3 209.289 1.595 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000164301263 384958765 /nfs/dbraw/zinc/95/87/65/384958765.db2.gz VZIPTOJJZANOFJ-QLJPJBMISA-N 0 3 241.356 1.557 20 10 BDCDHN CC[C@](C)(O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000087011387 385064475 /nfs/dbraw/zinc/06/44/75/385064475.db2.gz FKJUNFJDTYVJOW-ZDUSSCGKSA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](C)O)c1cc(F)ccc1[O-] ZINC000087111361 385073369 /nfs/dbraw/zinc/07/33/69/385073369.db2.gz CECSZDLHXUAKEF-JGVFFNPUSA-N 0 3 213.252 1.563 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111341 385074897 /nfs/dbraw/zinc/07/48/97/385074897.db2.gz COJWEHCPVQVWFR-SCZZXKLOSA-N 0 3 227.279 1.953 20 10 BDCDHN C[C@@H](CO)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111426 385075222 /nfs/dbraw/zinc/07/52/22/385075222.db2.gz IJJORDKEBAVHLH-RKDXNWHRSA-N 0 3 227.279 1.810 20 10 BDCDHN CN(CC[NH+](C)C)Cc1cccc(F)c1[O-] ZINC000165418027 385122143 /nfs/dbraw/zinc/12/21/43/385122143.db2.gz NHVAGEKAEJZYLU-UHFFFAOYSA-N 0 3 226.295 1.525 20 10 BDCDHN C[C@@H]([NH2+]CCCCO)c1cc(F)ccc1[O-] ZINC000193283042 385390652 /nfs/dbraw/zinc/39/06/52/385390652.db2.gz IXVNBAXJYLILRD-SECBINFHSA-N 0 3 227.279 1.954 20 10 BDCDHN CN(C)c1ccc(CN(C)CCCO)cc1F ZINC000281889213 385712328 /nfs/dbraw/zinc/71/23/28/385712328.db2.gz YAZRTKVXBIYVBX-UHFFFAOYSA-N 0 3 240.322 1.706 20 10 BDCDHN COC[C@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183634036 385781902 /nfs/dbraw/zinc/78/19/02/385781902.db2.gz KRTACYMXVCXYSE-WDEREUQCSA-N 0 3 239.315 1.440 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@@H]1O ZINC000271407551 385826507 /nfs/dbraw/zinc/82/65/07/385826507.db2.gz WZSGUNHIKIWNIY-FZMZJTMJSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@@H]1O ZINC000271407551 385826512 /nfs/dbraw/zinc/82/65/12/385826512.db2.gz WZSGUNHIKIWNIY-FZMZJTMJSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000272531834 385910703 /nfs/dbraw/zinc/91/07/03/385910703.db2.gz NDLUTXPRJBSOLX-RYUDHWBXSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1 ZINC000272531834 385910707 /nfs/dbraw/zinc/91/07/07/385910707.db2.gz NDLUTXPRJBSOLX-RYUDHWBXSA-N 0 3 235.327 1.903 20 10 BDCDHN CC(C)[C@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000123922481 385946719 /nfs/dbraw/zinc/94/67/19/385946719.db2.gz VSPGAJVZUBTMOC-GFCCVEGCSA-N 0 3 209.289 1.499 20 10 BDCDHN COC[C@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000234822511 386103850 /nfs/dbraw/zinc/10/38/50/386103850.db2.gz PPNDVANZNWUBSY-QWRGUYRKSA-N 0 3 239.315 1.359 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000235893593 386200582 /nfs/dbraw/zinc/20/05/82/386200582.db2.gz XBARFFRNRPTQRV-CQSZACIVSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000235893593 386200586 /nfs/dbraw/zinc/20/05/86/386200586.db2.gz XBARFFRNRPTQRV-CQSZACIVSA-N 0 3 248.326 1.398 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000226564571 386334563 /nfs/dbraw/zinc/33/45/63/386334563.db2.gz VPHLXGCGEAACSA-LLVKDONJSA-N 0 3 225.263 1.752 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@@H]1CCOC1 ZINC000226564571 386334566 /nfs/dbraw/zinc/33/45/66/386334566.db2.gz VPHLXGCGEAACSA-LLVKDONJSA-N 0 3 225.263 1.752 20 10 BDCDHN COC[C@@H]1CCN1Cc1cccc(OC)c1O ZINC000293755569 386668559 /nfs/dbraw/zinc/66/85/59/386668559.db2.gz XFVFHKAPEZKSJS-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN CCn1nncc1CNCc1cc(C)ccc1O ZINC000527728146 387680521 /nfs/dbraw/zinc/68/05/21/387680521.db2.gz PPGKJWSRVUCGED-UHFFFAOYSA-N 0 3 246.314 1.602 20 10 BDCDHN C[C@H]([NH2+]CC1COC1)c1cc(F)ccc1[O-] ZINC000528026828 387832229 /nfs/dbraw/zinc/83/22/29/387832229.db2.gz QVAMWKHCYDMSHF-QMMMGPOBSA-N 0 3 225.263 1.828 20 10 BDCDHN C[C@H](C[NH2+][C@H]1CCc2cccc([O-])c21)N(C)C ZINC000297659980 388431053 /nfs/dbraw/zinc/43/10/53/388431053.db2.gz KNFDAHVBAAOXCB-PWSUYJOCSA-N 0 3 234.343 1.919 20 10 BDCDHN CCC[C@](C)(N)C(=O)NCCc1ccc(N)cc1 ZINC000262568221 135306611 /nfs/dbraw/zinc/30/66/11/135306611.db2.gz AKRXHGNAMVFCBI-AWEZNQCLSA-N 0 3 249.358 1.445 20 10 BDCDHN CC(C)[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879030 167117659 /nfs/dbraw/zinc/11/76/59/167117659.db2.gz AIUJEWYJQUSYIK-UHFFFAOYSA-N 0 3 209.245 1.619 20 10 BDCDHN CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000189967889 167996533 /nfs/dbraw/zinc/99/65/33/167996533.db2.gz RISCGNHGUPMMPW-NWDGAFQWSA-N 0 3 239.290 1.780 20 10 BDCDHN CC[C@@](C)(O)C[N@H+](C)Cc1ccccc1[O-] ZINC000161802222 171177463 /nfs/dbraw/zinc/17/74/63/171177463.db2.gz ZTDGPBUPESXSJO-CYBMUJFWSA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@@](C)(O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000161802222 171177465 /nfs/dbraw/zinc/17/74/65/171177465.db2.gz ZTDGPBUPESXSJO-CYBMUJFWSA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@](C)(CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070898963 171694590 /nfs/dbraw/zinc/69/45/90/171694590.db2.gz YQARMFVPMKLKHF-CYBMUJFWSA-N 0 3 223.316 1.951 20 10 BDCDHN CN1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000040671820 173021575 /nfs/dbraw/zinc/02/15/75/173021575.db2.gz AUQRQSFZISEMPH-GFCCVEGCSA-N 0 3 220.316 1.576 20 10 BDCDHN CN1CC[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC000272698314 173133424 /nfs/dbraw/zinc/13/34/24/173133424.db2.gz YGCJJBYKJFOWPC-OCCSQVGLSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC000272698314 173133427 /nfs/dbraw/zinc/13/34/27/173133427.db2.gz YGCJJBYKJFOWPC-OCCSQVGLSA-N 0 3 246.354 1.918 20 10 BDCDHN CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179574345 173306435 /nfs/dbraw/zinc/30/64/35/173306435.db2.gz RNKOTJNGXFBYQS-LBPRGKRZSA-N 0 3 248.326 1.350 20 10 BDCDHN CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179574345 173306436 /nfs/dbraw/zinc/30/64/36/173306436.db2.gz RNKOTJNGXFBYQS-LBPRGKRZSA-N 0 3 248.326 1.350 20 10 BDCDHN COCCC[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000134046089 174217474 /nfs/dbraw/zinc/21/74/74/174217474.db2.gz OBTQPPAHYSNXKH-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN COCCC[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000134046089 174217475 /nfs/dbraw/zinc/21/74/75/174217475.db2.gz OBTQPPAHYSNXKH-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CO[C@H](C)CNCc1ccc2c(c1)CCO2 ZINC000191202140 174833821 /nfs/dbraw/zinc/83/38/21/174833821.db2.gz VSRIFYVAPMRJBL-SNVBAGLBSA-N 0 3 221.300 1.746 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)CCCO)c1 ZINC000281643623 175158048 /nfs/dbraw/zinc/15/80/48/175158048.db2.gz AUCAHDMWDWXQPE-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)CCCO)c1 ZINC000281643623 175158051 /nfs/dbraw/zinc/15/80/51/175158051.db2.gz AUCAHDMWDWXQPE-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCO)c1 ZINC000020597020 175160000 /nfs/dbraw/zinc/16/00/00/175160000.db2.gz PHBPHYBFHIKZNL-MRVPVSSYSA-N 0 3 211.261 1.044 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)O)c1 ZINC000035601837 175160612 /nfs/dbraw/zinc/16/06/12/175160612.db2.gz UVAXSFWALKDRRH-IUCAKERBSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1cccc(C[NH2+]C[C@H](C)CCO)c1[O-] ZINC000097435949 175264044 /nfs/dbraw/zinc/26/40/44/175264044.db2.gz ZZJPCKYWHGOAKS-SNVBAGLBSA-N 0 3 239.315 1.509 20 10 BDCDHN COc1cccc(C[NH2+]CCn2cccn2)c1[O-] ZINC000042538756 175264869 /nfs/dbraw/zinc/26/48/69/175264869.db2.gz FAQMWEZWFMEISF-UHFFFAOYSA-N 0 3 247.298 1.387 20 10 BDCDHN COc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)c1[O-] ZINC000134247249 175267226 /nfs/dbraw/zinc/26/72/26/175267226.db2.gz AAENLCDLRXBGHD-GXSJLCMTSA-N 0 3 237.299 1.668 20 10 BDCDHN C[C@H](O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180861554 177014896 /nfs/dbraw/zinc/01/48/96/177014896.db2.gz DWKXXHQEYMKAFM-UWVGGRQHSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H](O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180861554 177014898 /nfs/dbraw/zinc/01/48/98/177014898.db2.gz DWKXXHQEYMKAFM-UWVGGRQHSA-N 0 3 239.290 1.734 20 10 BDCDHN [O-]c1ccc(F)cc1CNCC12CC(C1)C[NH2+]2 ZINC000853245942 588728536 /nfs/dbraw/zinc/72/85/36/588728536.db2.gz DLOGTUNTCYILLF-UHFFFAOYSA-N 0 3 236.290 1.373 20 10 BDCDHN C[NH2+]C[C@H](C)NCc1c([O-])cccc1Cl ZINC000853249546 588728976 /nfs/dbraw/zinc/72/89/76/588728976.db2.gz RCLPBMGNDACWKH-QMMMGPOBSA-N 0 3 228.723 1.743 20 10 BDCDHN CCC[C@@H](O)CNCc1ccc2c(c1)CCO2 ZINC000112377515 588796450 /nfs/dbraw/zinc/79/64/50/588796450.db2.gz VACOVZHJTMNAQL-CYBMUJFWSA-N 0 3 235.327 1.872 20 10 BDCDHN C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1[O-] ZINC000725848866 582904584 /nfs/dbraw/zinc/90/45/84/582904584.db2.gz AHMBCBIJUSOIBD-JTQLQIEISA-N 0 3 232.287 1.162 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1C ZINC000783731873 582960949 /nfs/dbraw/zinc/96/09/49/582960949.db2.gz AARJBZIAUXNVOL-DZGCQCFKSA-N 0 3 247.338 1.823 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)cc1C ZINC000783731873 582960954 /nfs/dbraw/zinc/96/09/54/582960954.db2.gz AARJBZIAUXNVOL-DZGCQCFKSA-N 0 3 247.338 1.823 20 10 BDCDHN COCC1C[NH+](Cc2cccc(C)c2[O-])C1 ZINC000895971418 583756385 /nfs/dbraw/zinc/75/63/85/583756385.db2.gz PXPLPBVPCJUXHQ-UHFFFAOYSA-N 0 3 221.300 1.779 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2COC[C@@H]2C)c([O-])c1 ZINC000896733136 583828068 /nfs/dbraw/zinc/82/80/68/583828068.db2.gz NCEAHIMOJWIHPD-JQWIXIFHSA-N 0 3 221.300 1.825 20 10 BDCDHN CN(CC[NH2+]Cc1ccccc1[O-])CC(F)F ZINC000858336605 588947223 /nfs/dbraw/zinc/94/72/23/588947223.db2.gz NFQXVPHVFKKXAZ-UHFFFAOYSA-N 0 3 244.285 1.679 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897681623 584039258 /nfs/dbraw/zinc/03/92/58/584039258.db2.gz XSTYFWGMVUACMM-CMPLNLGQSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897681623 584039260 /nfs/dbraw/zinc/03/92/60/584039260.db2.gz XSTYFWGMVUACMM-CMPLNLGQSA-N 0 3 221.300 1.513 20 10 BDCDHN [O-]c1ccccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873215439 584127358 /nfs/dbraw/zinc/12/73/58/584127358.db2.gz AJKAGDXBRIRWQG-TXEJJXNPSA-N 0 3 218.300 1.328 20 10 BDCDHN C[C@@H]([NH2+]CC1(N)CC1)c1ccccc1[O-] ZINC000902413455 584599867 /nfs/dbraw/zinc/59/98/67/584599867.db2.gz LUNYUARXBGEEPQ-SECBINFHSA-N 0 3 206.289 1.534 20 10 BDCDHN C[C@@H](N)[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000841076129 584742047 /nfs/dbraw/zinc/74/20/47/584742047.db2.gz ASDWYSWNJYHMOZ-HTQZYQBOSA-N 0 3 212.268 1.357 20 10 BDCDHN C[C@@H]([NH3+])[C@@H](C)NCc1cccc(F)c1[O-] ZINC000841076129 584742048 /nfs/dbraw/zinc/74/20/48/584742048.db2.gz ASDWYSWNJYHMOZ-HTQZYQBOSA-N 0 3 212.268 1.357 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCCN(C)C1 ZINC000876962101 584888279 /nfs/dbraw/zinc/88/82/79/584888279.db2.gz MCVFUBXXZNIEDZ-GFCCVEGCSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)C2CC(O)C2)cc1C ZINC000761220800 585412511 /nfs/dbraw/zinc/41/25/11/585412511.db2.gz YKAURYZNFMYPAJ-UHFFFAOYSA-N 0 3 235.327 1.964 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)C2CC(O)C2)cc1C ZINC000761220800 585412512 /nfs/dbraw/zinc/41/25/12/585412512.db2.gz YKAURYZNFMYPAJ-UHFFFAOYSA-N 0 3 235.327 1.964 20 10 BDCDHN CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441259 585538538 /nfs/dbraw/zinc/53/85/38/585538538.db2.gz YAHCFTOKPNERCU-GFCCVEGCSA-N 0 3 237.299 1.660 20 10 BDCDHN CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768441259 585538539 /nfs/dbraw/zinc/53/85/39/585538539.db2.gz YAHCFTOKPNERCU-GFCCVEGCSA-N 0 3 237.299 1.660 20 10 BDCDHN C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465788 585539139 /nfs/dbraw/zinc/53/91/39/585539139.db2.gz LHKXTFYXLQIWMY-ZANVPECISA-N 0 3 249.310 1.802 20 10 BDCDHN C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465788 585539140 /nfs/dbraw/zinc/53/91/40/585539140.db2.gz LHKXTFYXLQIWMY-ZANVPECISA-N 0 3 249.310 1.802 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)CC1CC1 ZINC000779099588 585745187 /nfs/dbraw/zinc/74/51/87/585745187.db2.gz LEECHLACNFDGFI-LBPRGKRZSA-N 0 3 239.290 1.782 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC000788266744 585919783 /nfs/dbraw/zinc/91/97/83/585919783.db2.gz BIEMVSZAHQVWEI-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC000788266744 585919784 /nfs/dbraw/zinc/91/97/84/585919784.db2.gz BIEMVSZAHQVWEI-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCC[C@@H](C)O ZINC000788524829 585926257 /nfs/dbraw/zinc/92/62/57/585926257.db2.gz VQPLOHZJKRAACG-SNVBAGLBSA-N 0 3 239.315 1.651 20 10 BDCDHN Cc1cc(CN(C)CCO)ccc1N(C)C ZINC000815015980 586663930 /nfs/dbraw/zinc/66/39/30/586663930.db2.gz QUCROBSYVIIDCK-UHFFFAOYSA-N 0 3 222.332 1.485 20 10 BDCDHN C[C@H]1CCN(CC(=O)NCc2ccccc2O)C1 ZINC000816912363 586771093 /nfs/dbraw/zinc/77/10/93/586771093.db2.gz URTYMWAWOSWRCB-NSHDSACASA-N 0 3 248.326 1.350 20 10 BDCDHN CC[C@H]([NH2+]CCN)c1ccc(C)cc1[O-] ZINC000817934282 586843552 /nfs/dbraw/zinc/84/35/52/586843552.db2.gz FYROUMLXLOXEMT-NSHDSACASA-N 0 3 208.305 1.700 20 10 BDCDHN [O-]c1cccc2c1[C@H](N[C@H]1CC[NH2+]C1)CC2 ZINC000817944610 586846582 /nfs/dbraw/zinc/84/65/82/586846582.db2.gz IAOHRXDULMPLMM-WDEREUQCSA-N 0 3 218.300 1.331 20 10 BDCDHN CC[C@H]([NH2+]CCNC)c1ccc(F)cc1[O-] ZINC000817953275 586849007 /nfs/dbraw/zinc/84/90/07/586849007.db2.gz YHGLUSDNJWNEQV-NSHDSACASA-N 0 3 226.295 1.791 20 10 BDCDHN CC[C@H](NCC[NH2+]C)c1ccc(F)cc1[O-] ZINC000817953275 586849009 /nfs/dbraw/zinc/84/90/09/586849009.db2.gz YHGLUSDNJWNEQV-NSHDSACASA-N 0 3 226.295 1.791 20 10 BDCDHN NC[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000817960265 586851302 /nfs/dbraw/zinc/85/13/02/586851302.db2.gz LHBYWTJRECOYTK-NWDGAFQWSA-N 0 3 232.327 1.706 20 10 BDCDHN CC[C@@H]([NH2+][C@H](C)CN)c1ccc(F)cc1[O-] ZINC000817966433 586854701 /nfs/dbraw/zinc/85/47/01/586854701.db2.gz NSIQBHHHRDHMIB-LDYMZIIASA-N 0 3 226.295 1.919 20 10 BDCDHN CC[C@H]([NH2+][C@H](C)CN)c1ccc(F)cc1[O-] ZINC000817966432 586854884 /nfs/dbraw/zinc/85/48/84/586854884.db2.gz NSIQBHHHRDHMIB-KCJUWKMLSA-N 0 3 226.295 1.919 20 10 BDCDHN CC[C@H]([NH2+][C@H](C)CN)c1ccccc1[O-] ZINC000817966342 586855345 /nfs/dbraw/zinc/85/53/45/586855345.db2.gz LUGZHJJYHNTOLY-KOLCDFICSA-N 0 3 208.305 1.780 20 10 BDCDHN C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817977117 586859941 /nfs/dbraw/zinc/85/99/41/586859941.db2.gz BQNXHWPDZLZDLP-HLTSFMKQSA-N 0 3 226.295 1.918 20 10 BDCDHN [O-]c1cccc2c1[C@@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000817977856 586861943 /nfs/dbraw/zinc/86/19/43/586861943.db2.gz QRFQEIQFPYKSDP-BBGACYKPSA-N 0 3 230.311 1.187 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726553 587284539 /nfs/dbraw/zinc/28/45/39/587284539.db2.gz NPPRMIIIAHCDKS-GFCCVEGCSA-N 0 3 243.253 1.594 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000824726553 587284541 /nfs/dbraw/zinc/28/45/41/587284541.db2.gz NPPRMIIIAHCDKS-GFCCVEGCSA-N 0 3 243.253 1.594 20 10 BDCDHN COc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000825103359 587304264 /nfs/dbraw/zinc/30/42/64/587304264.db2.gz CVTSFEVCBDQCOW-MWLCHTKSSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000825103359 587304266 /nfs/dbraw/zinc/30/42/66/587304266.db2.gz CVTSFEVCBDQCOW-MWLCHTKSSA-N 0 3 237.299 1.356 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000825279035 587312795 /nfs/dbraw/zinc/31/27/95/587312795.db2.gz LRRWIQFTDKJAAG-CMPLNLGQSA-N 0 3 248.326 1.444 20 10 BDCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000827501269 587384277 /nfs/dbraw/zinc/38/42/77/587384277.db2.gz STIFPVKVQDDTKL-PHIMTYICSA-N 0 3 235.283 1.433 20 10 BDCDHN COc1cccc(C[N@@H+]2CCC3(COC3)C2)c1[O-] ZINC000827643390 587394366 /nfs/dbraw/zinc/39/43/66/587394366.db2.gz KAGJAILOSXQMDA-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1cccc(C[N@H+]2CCC3(COC3)C2)c1[O-] ZINC000827643390 587394368 /nfs/dbraw/zinc/39/43/68/587394368.db2.gz KAGJAILOSXQMDA-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN CN(C)c1ccc([C@@H](N)CNC(=O)C2CC2)cc1 ZINC000832286137 587653325 /nfs/dbraw/zinc/65/33/25/587653325.db2.gz WPKWOFLQFMSWPN-ZDUSSCGKSA-N 0 3 247.342 1.279 20 10 BDCDHN [O-]c1ccc(F)cc1CNC[C@H]1CCCC[NH2+]1 ZINC000841032988 587936914 /nfs/dbraw/zinc/93/69/14/587936914.db2.gz LJCDORZLEHISME-GFCCVEGCSA-N 0 3 238.306 1.763 20 10 BDCDHN [NH3+][C@@H](CNCc1cccc(Cl)c1[O-])C1CC1 ZINC000841048047 587938995 /nfs/dbraw/zinc/93/89/95/587938995.db2.gz BKAFASKGXAMUJI-NSHDSACASA-N 0 3 240.734 1.873 20 10 BDCDHN [O-]c1cccc(Cl)c1CN[C@@H]1CC[NH2+]C1 ZINC000841044804 587939365 /nfs/dbraw/zinc/93/93/65/587939365.db2.gz INKGFHOXZKRBPV-MRVPVSSYSA-N 0 3 226.707 1.497 20 10 BDCDHN C[C@@H](CN)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841050202 587940043 /nfs/dbraw/zinc/94/00/43/587940043.db2.gz ZRIDKBJJUJGVJY-ZETCQYMHSA-N 0 3 246.713 1.869 20 10 BDCDHN CC[C@@H]([NH3+])CNCc1cccc(Cl)c1[O-] ZINC000841071339 587942985 /nfs/dbraw/zinc/94/29/85/587942985.db2.gz DIWCNMZYVQXFEE-SECBINFHSA-N 0 3 228.723 1.873 20 10 BDCDHN CC(C)(C)[C@H](CN)[NH2+]Cc1ccccc1[O-] ZINC000841087651 587945720 /nfs/dbraw/zinc/94/57/20/587945720.db2.gz PGUYILTZGPVZMU-LBPRGKRZSA-N 0 3 222.332 1.855 20 10 BDCDHN C[C@@H]1CN(Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843051421 588076790 /nfs/dbraw/zinc/07/67/90/588076790.db2.gz HFVBPQZNKFFJFL-BXKDBHETSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(F)ccc1[O-] ZINC000843063400 588078727 /nfs/dbraw/zinc/07/87/27/588078727.db2.gz AVBMVXBJKDHEBZ-AOOOYVTPSA-N 0 3 238.306 1.714 20 10 BDCDHN CCc1cccc(C[N@H+](C)[C@H](C)CO)c1[O-] ZINC000848909909 588419751 /nfs/dbraw/zinc/41/97/51/588419751.db2.gz CNEADEASHCGXNO-SNVBAGLBSA-N 0 3 223.316 1.767 20 10 BDCDHN CCc1cccc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000848909909 588419752 /nfs/dbraw/zinc/41/97/52/588419752.db2.gz CNEADEASHCGXNO-SNVBAGLBSA-N 0 3 223.316 1.767 20 10 BDCDHN COc1cccc(CNC(=[NH2+])N2CCC2)c1[O-] ZINC000849002733 588431241 /nfs/dbraw/zinc/43/12/41/588431241.db2.gz SOJYCVIGYMGVGD-UHFFFAOYSA-N 0 3 235.287 1.131 20 10 BDCDHN CON(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000850476913 588549599 /nfs/dbraw/zinc/54/95/99/588549599.db2.gz CMFSBEBDTQIVHI-LLVKDONJSA-N 0 3 236.315 1.462 20 10 BDCDHN CON(C)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000850478991 588550752 /nfs/dbraw/zinc/55/07/52/588550752.db2.gz JNMRUSWEKBEJLF-VIFPVBQESA-N 0 3 242.294 1.675 20 10 BDCDHN CC(C)NCC(=O)Nc1ccc(N)cc1 ZINC000851633689 588612208 /nfs/dbraw/zinc/61/22/08/588612208.db2.gz QCUHBDXELYPHMN-UHFFFAOYSA-N 0 3 207.277 1.205 20 10 BDCDHN CN(C)c1ccc(CN2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000852537523 588689068 /nfs/dbraw/zinc/68/90/68/588689068.db2.gz GTHBSBYJBJIIJS-DZGCQCFKSA-N 0 3 246.354 1.709 20 10 BDCDHN CCN(CC[NH3+])Cc1c([O-])cccc1OC ZINC000863645251 589307035 /nfs/dbraw/zinc/30/70/35/589307035.db2.gz UCACXGHOMIUNHY-UHFFFAOYSA-N 0 3 224.304 1.181 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(F)(F)F ZINC000865711767 589458052 /nfs/dbraw/zinc/45/80/52/589458052.db2.gz QIGBYQYMOODXPY-XCBNKYQSSA-N 0 3 249.232 1.794 20 10 BDCDHN [O-]c1ccccc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229693 590001652 /nfs/dbraw/zinc/00/16/52/590001652.db2.gz DVJZGEWFALIQDO-ZIAGYGMSSA-N 0 3 232.327 1.766 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](CCO)C1CC1 ZINC000876580018 590218685 /nfs/dbraw/zinc/21/86/85/590218685.db2.gz OXELWSOFGGLJPP-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](CCO)C1CC1 ZINC000876580018 590218687 /nfs/dbraw/zinc/21/86/87/590218687.db2.gz OXELWSOFGGLJPP-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN COCC[N@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000876682180 590230542 /nfs/dbraw/zinc/23/05/42/590230542.db2.gz DYYZSWICVAIBHJ-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COCC[N@@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000876682180 590230543 /nfs/dbraw/zinc/23/05/43/590230543.db2.gz DYYZSWICVAIBHJ-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1O ZINC000876815175 590245832 /nfs/dbraw/zinc/24/58/32/590245832.db2.gz NMDXWJLVJMEFJM-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1O ZINC000876815175 590245833 /nfs/dbraw/zinc/24/58/33/590245833.db2.gz NMDXWJLVJMEFJM-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@@H]1O ZINC000876814352 590245883 /nfs/dbraw/zinc/24/58/83/590245883.db2.gz DZQCRRINBWYFHW-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@@H]1O ZINC000876814352 590245884 /nfs/dbraw/zinc/24/58/84/590245884.db2.gz DZQCRRINBWYFHW-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH2+]CCn2cccn2)c([O-])c1 ZINC000876959751 590261656 /nfs/dbraw/zinc/26/16/56/590261656.db2.gz OONSCNCLOOMGPH-UHFFFAOYSA-N 0 3 231.299 1.687 20 10 BDCDHN CN(C(=O)CNCC1CC1)c1ccc(N)cc1 ZINC000877078813 590279255 /nfs/dbraw/zinc/27/92/55/590279255.db2.gz GEDKUVJVXNOQHG-UHFFFAOYSA-N 0 3 233.315 1.231 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCN1CCCC1 ZINC000877142040 590291738 /nfs/dbraw/zinc/29/17/38/590291738.db2.gz IIXZLCYZFVHCPA-UHFFFAOYSA-N 0 3 234.343 1.886 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c([O-])c1 ZINC000877195863 590299659 /nfs/dbraw/zinc/29/96/59/590299659.db2.gz PBDIYTNQKWHZFV-WDEREUQCSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](CO)CCF ZINC000877614629 590373980 /nfs/dbraw/zinc/37/39/80/590373980.db2.gz KCMKEEZAAMXFPB-SNVBAGLBSA-N 0 3 227.279 1.511 20 10 BDCDHN Cc1ccc(C[NH2+]CC2COC2)c([O-])c1 ZINC000877657238 590386307 /nfs/dbraw/zinc/38/63/07/590386307.db2.gz BIGKLYAIIRTWTI-UHFFFAOYSA-N 0 3 207.273 1.437 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H](O)C(F)F ZINC000877676651 590390309 /nfs/dbraw/zinc/39/03/09/590390309.db2.gz AHZIBVBBQJLQAZ-LLVKDONJSA-N 0 3 245.269 1.806 20 10 BDCDHN C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccccc1[O-] ZINC000879648487 590842444 /nfs/dbraw/zinc/84/24/44/590842444.db2.gz RCVVZUFPHCBRKU-MNOVXSKESA-N 0 3 249.310 1.996 20 10 BDCDHN Cc1cc(CN2CC=C[C@@H]2CO)ccc1N(C)C ZINC000880492669 591070089 /nfs/dbraw/zinc/07/00/89/591070089.db2.gz UTVAHMDVBLACON-CQSZACIVSA-N 0 3 246.354 1.794 20 10 BDCDHN CCOc1cccc(C[NH2+][C@H]2CCOC2)c1[O-] ZINC000131160017 591560635 /nfs/dbraw/zinc/56/06/35/591560635.db2.gz LXOCWNOPANIRLM-NSHDSACASA-N 0 3 237.299 1.669 20 10 BDCDHN CC[C@H]([NH2+][C@H](C)CC(N)=O)c1ccccc1[O-] ZINC000136101011 592093695 /nfs/dbraw/zinc/09/36/95/592093695.db2.gz XFJLXWAYNKYDFC-KOLCDFICSA-N 0 3 236.315 1.697 20 10 BDCDHN C[C@H]1CN(Cc2cc(F)ccc2[O-])CC[NH2+]1 ZINC000226561645 635436771 /nfs/dbraw/zinc/43/67/71/635436771.db2.gz XSMIRUOLBNEZCM-VIFPVBQESA-N 0 3 224.279 1.325 20 10 BDCDHN CC(=O)NCCN(C)Cc1cc(C)ccc1O ZINC000308310644 631276951 /nfs/dbraw/zinc/27/69/51/631276951.db2.gz RBICXYIJYKLSAD-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]1CO ZINC000249148794 635688591 /nfs/dbraw/zinc/68/85/91/635688591.db2.gz ZVPANAHJGCLZTH-PWSUYJOCSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]1CO ZINC000249148794 635688596 /nfs/dbraw/zinc/68/85/96/635688596.db2.gz ZVPANAHJGCLZTH-PWSUYJOCSA-N 0 3 221.300 1.595 20 10 BDCDHN C[NH2+]C1CCN(Cc2cc(F)ccc2[O-])CC1 ZINC000310495305 632751401 /nfs/dbraw/zinc/75/14/01/632751401.db2.gz POABWXUCWONUHM-UHFFFAOYSA-N 0 3 238.306 1.715 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)c([O-])c1 ZINC000168830226 633149148 /nfs/dbraw/zinc/14/91/48/633149148.db2.gz UWARYVFRIYZWSG-ZJUUUORDSA-N 0 3 236.315 1.615 20 10 BDCDHN C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168830317 633150186 /nfs/dbraw/zinc/15/01/86/633150186.db2.gz DSQBONJJNUCYSL-YUMQZZPRSA-N 0 3 240.278 1.446 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCSC1 ZINC000309886468 633903167 /nfs/dbraw/zinc/90/31/67/633903167.db2.gz YQYBRBBVXMLRKL-SECBINFHSA-N 0 3 239.340 1.996 20 10 BDCDHN COCC1([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000309648959 633982857 /nfs/dbraw/zinc/98/28/57/633982857.db2.gz NJYOZCPGWAQYKM-UHFFFAOYSA-N 0 3 225.263 1.800 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000896897765 636246311 /nfs/dbraw/zinc/24/63/11/636246311.db2.gz VPDHYMCSFXDQON-NSHDSACASA-N 0 3 248.326 1.316 20 10 BDCDHN CNC(=O)C[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000322803390 636882270 /nfs/dbraw/zinc/88/22/70/636882270.db2.gz RBGVDAMXOJVPJO-ONGXEEELSA-N 0 3 248.326 1.494 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C1COCCOC1)CC2 ZINC000311140330 640421059 /nfs/dbraw/zinc/42/10/59/640421059.db2.gz GALHMSLMFUFHDS-GFCCVEGCSA-N 0 3 249.310 1.385 20 10 BDCDHN Cc1cc(C)c(O)c(CN2CCNC(=O)CC2)c1 ZINC000164283657 640470325 /nfs/dbraw/zinc/47/03/25/640470325.db2.gz PLKJBBSHETZSRS-UHFFFAOYSA-N 0 3 248.326 1.331 20 10 BDCDHN C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000164460816 640483377 /nfs/dbraw/zinc/48/33/77/640483377.db2.gz HSAHIEWZJYYFIA-NXEZZACHSA-N 0 3 209.289 1.641 20 10 BDCDHN C[C@H](O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609664 640777680 /nfs/dbraw/zinc/77/76/80/640777680.db2.gz GFGREOGAZQLDMR-QMMMGPOBSA-N 0 3 213.252 1.392 20 10 BDCDHN CC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825883 641537772 /nfs/dbraw/zinc/53/77/72/641537772.db2.gz IXCMILYGPWOQQA-GFCCVEGCSA-N 0 3 235.331 1.106 20 10 BDCDHN Cc1cc(O)c(CN2CCC[C@@H]2C(N)=O)cc1C ZINC000179579608 642728748 /nfs/dbraw/zinc/72/87/48/642728748.db2.gz QZQCGTQRPXTBNS-GFCCVEGCSA-N 0 3 248.326 1.459 20 10 BDCDHN CCOCCOCC[NH2+]Cc1ccccc1[O-] ZINC000922941987 644195695 /nfs/dbraw/zinc/19/56/95/644195695.db2.gz RXHMAQGEFBHBRB-UHFFFAOYSA-N 0 3 239.315 1.535 20 10 BDCDHN Cc1ccc([C@@H](C)N[C@H]2CNOC2)c(O)c1C ZINC000925868572 646520874 /nfs/dbraw/zinc/52/08/74/646520874.db2.gz DCHJCSIXERGAJR-MNOVXSKESA-N 0 3 236.315 1.563 20 10 BDCDHN COC[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000382548966 710972460 /nfs/dbraw/zinc/97/24/60/710972460.db2.gz GWHJOWAVEJKDJA-MFKMUULPSA-N 0 3 239.315 1.440 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000398363915 711409410 /nfs/dbraw/zinc/40/94/10/711409410.db2.gz YXXMYUUUDVFAQI-ZJUUUORDSA-N 0 3 234.299 1.179 20 10 BDCDHN CO[C@@H](C)C[N@H+](C)Cc1ccccc1[O-] ZINC000182334432 711894917 /nfs/dbraw/zinc/89/49/17/711894917.db2.gz CNFQWZFFEYJTNV-JTQLQIEISA-N 0 3 209.289 1.859 20 10 BDCDHN CO[C@@H](C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000182334432 711894920 /nfs/dbraw/zinc/89/49/20/711894920.db2.gz CNFQWZFFEYJTNV-JTQLQIEISA-N 0 3 209.289 1.859 20 10 BDCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000827826261 712593712 /nfs/dbraw/zinc/59/37/12/712593712.db2.gz ANRMZGUCNCBXGT-XYPYZODXSA-N 0 3 241.718 1.967 20 10 BDCDHN CN1CC[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000380211688 712726521 /nfs/dbraw/zinc/72/65/21/712726521.db2.gz HYELYVPSKVIFFA-NWDGAFQWSA-N 0 3 232.327 1.673 20 10 BDCDHN C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C ZINC000719621395 712817691 /nfs/dbraw/zinc/81/76/91/712817691.db2.gz ZVVBUEIJJDPUQL-SKDRFNHKSA-N 0 3 238.306 1.714 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000720934539 712880236 /nfs/dbraw/zinc/88/02/36/712880236.db2.gz DDHSKTPLTPNWFL-GARJFASQSA-N 0 3 221.300 1.814 20 10 BDCDHN CC[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC ZINC000697916457 964679590 /nfs/dbraw/zinc/67/95/90/964679590.db2.gz LVBDZPYDOYXYNY-ONGXEEELSA-N 0 3 236.315 1.567 20 10 BDCDHN C[C@H]([NH3+])CN(C)Cc1ccc(Cl)cc1[O-] ZINC001236900205 966615915 /nfs/dbraw/zinc/61/59/15/966615915.db2.gz QGAJIRIRXHLIQQ-QMMMGPOBSA-N 0 3 228.723 1.825 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC001203549944 966678664 /nfs/dbraw/zinc/67/86/64/966678664.db2.gz DMYWUJBDVWFBFE-ZWNOBZJWSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC001203549944 966678675 /nfs/dbraw/zinc/67/86/75/966678675.db2.gz DMYWUJBDVWFBFE-ZWNOBZJWSA-N 0 3 221.300 1.595 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000877607927 983955879 /nfs/dbraw/zinc/95/58/79/983955879.db2.gz OBFIIFDQGUOLJU-QWRGUYRKSA-N 0 3 221.300 1.968 20 10 BDCDHN C[C@H](CC(N)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000383581198 963583118 /nfs/dbraw/zinc/58/31/18/963583118.db2.gz FLIXXCWEWWFSFX-PSASIEDQSA-N 0 3 234.299 1.233 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000316032014 965731369 /nfs/dbraw/zinc/73/13/69/965731369.db2.gz VABWYEDLKJGOFS-CYBMUJFWSA-N 0 3 221.300 1.643 20 10 BDCDHN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1[O-] ZINC001203550205 966684155 /nfs/dbraw/zinc/68/41/55/966684155.db2.gz MDHFLWQOMHHSGH-PWSUYJOCSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1[O-] ZINC001203550205 966684166 /nfs/dbraw/zinc/68/41/66/966684166.db2.gz MDHFLWQOMHHSGH-PWSUYJOCSA-N 0 3 221.300 1.595 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@]12CCOC2 ZINC001203560878 966687344 /nfs/dbraw/zinc/68/73/44/966687344.db2.gz ITQLKZSVQWOJAY-CYBMUJFWSA-N 0 3 219.284 1.757 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001203560878 966687330 /nfs/dbraw/zinc/68/73/30/966687330.db2.gz ITQLKZSVQWOJAY-CYBMUJFWSA-N 0 3 219.284 1.757 20 10 BDCDHN CCN1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874323 966805286 /nfs/dbraw/zinc/80/52/86/966805286.db2.gz UDGYTTWUAGQBCT-UHFFFAOYSA-N 0 3 236.315 1.235 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC[C@@H]1CO ZINC001204273084 966951127 /nfs/dbraw/zinc/95/11/27/966951127.db2.gz XFWASULINMCHLH-LLVKDONJSA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC[C@@H]1CO ZINC001204273084 966951132 /nfs/dbraw/zinc/95/11/32/966951132.db2.gz XFWASULINMCHLH-LLVKDONJSA-N 0 3 237.299 1.445 20 10 BDCDHN C[C@@]1(CO)CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276307 966951327 /nfs/dbraw/zinc/95/13/27/966951327.db2.gz JZWCMYGSIYMGMS-CYBMUJFWSA-N 0 3 237.299 1.302 20 10 BDCDHN C[C@@]1(CO)CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276307 966951338 /nfs/dbraw/zinc/95/13/38/966951338.db2.gz JZWCMYGSIYMGMS-CYBMUJFWSA-N 0 3 237.299 1.302 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](O)CC1 ZINC001204272295 966954547 /nfs/dbraw/zinc/95/45/47/966954547.db2.gz MNHFFSQVEDLIKJ-NSHDSACASA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC001204272295 966954557 /nfs/dbraw/zinc/95/45/57/966954557.db2.gz MNHFFSQVEDLIKJ-NSHDSACASA-N 0 3 237.299 1.445 20 10 BDCDHN Oc1ccc(CN2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001204272008 966954589 /nfs/dbraw/zinc/95/45/89/966954589.db2.gz GQAZKYLDDPTKAV-CMPLNLGQSA-N 0 3 241.262 1.003 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001204276909 966961135 /nfs/dbraw/zinc/96/11/35/966961135.db2.gz TYJJWZIMAGMWRX-NEPJUHHUSA-N 0 3 249.310 1.566 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC001204276909 966961140 /nfs/dbraw/zinc/96/11/40/966961140.db2.gz TYJJWZIMAGMWRX-NEPJUHHUSA-N 0 3 249.310 1.566 20 10 BDCDHN Cc1ccc(O)c(CN2C[C@@H](F)[C@@H](N)C2)c1 ZINC001204823989 967183185 /nfs/dbraw/zinc/18/31/85/967183185.db2.gz PAGMYOMVCACJCX-MNOVXSKESA-N 0 3 224.279 1.182 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)O2 ZINC001172219495 974447192 /nfs/dbraw/zinc/44/71/92/974447192.db2.gz UAIRSPAEQHNMFQ-VGPLMAKISA-N 0 3 249.310 1.897 20 10 BDCDHN [O-]c1cc2ccccc2cc1C[NH+]1CC(CO)C1 ZINC001236841475 979755170 /nfs/dbraw/zinc/75/51/70/979755170.db2.gz KZTYMPGAAQVHMP-UHFFFAOYSA-N 0 3 243.306 1.970 20 10 BDCDHN CN1CCC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203560523 979755989 /nfs/dbraw/zinc/75/59/89/979755989.db2.gz BQUUQZMOACIYHK-OCCSQVGLSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CCC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC001203560523 979755994 /nfs/dbraw/zinc/75/59/94/979755994.db2.gz BQUUQZMOACIYHK-OCCSQVGLSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CCC=C(c2ccn(CC3CC3)c(=O)c2)C1 ZINC001241572375 982826892 /nfs/dbraw/zinc/82/68/92/982826892.db2.gz YZDFMWSDOPCLQX-UHFFFAOYSA-N 0 3 244.338 1.977 20 10 BDCDHN C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccccc1[O-] ZINC000037751512 985842911 /nfs/dbraw/zinc/84/29/11/985842911.db2.gz ZCSNYMUAZPIYKV-SNVBAGLBSA-N 0 3 236.315 1.521 20 10 BDCDHN COc1cc(C)c(C[NH2+]C/C=C\CO)c([O-])c1 ZINC001462417927 986382567 /nfs/dbraw/zinc/38/25/67/986382567.db2.gz JHUWYZKSGDVYOB-ARJAWSKDSA-N 0 3 237.299 1.347 20 10 BDCDHN C[C@H](O)CNCc1cc(F)c(N(C)C)cc1F ZINC001118908508 988691103 /nfs/dbraw/zinc/69/11/03/988691103.db2.gz BISORBNUTDYVLO-QMMMGPOBSA-N 0 3 244.285 1.501 20 10 BDCDHN C[C@H]([NH3+])[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001122258240 990309662 /nfs/dbraw/zinc/30/96/62/990309662.db2.gz OZAGIZHANFCYEW-YUMQZZPRSA-N 0 3 240.278 1.131 20 10 BDCDHN COC(=O)C1CN(Cc2c(C)ccc(C)c2O)C1 ZINC001140178388 991549798 /nfs/dbraw/zinc/54/97/98/991549798.db2.gz KKIRATLYTMAWLR-UHFFFAOYSA-N 0 3 249.310 1.614 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@](C)(O)C2)cc1C ZINC000180189401 178195534 /nfs/dbraw/zinc/19/55/34/178195534.db2.gz CODGJUKULRVKEF-AWEZNQCLSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@](C)(O)C2)cc1C ZINC000180189401 178195536 /nfs/dbraw/zinc/19/55/36/178195536.db2.gz CODGJUKULRVKEF-AWEZNQCLSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CC(=O)N(C)C2)cc1C ZINC000266204937 178196645 /nfs/dbraw/zinc/19/66/45/178196645.db2.gz MHNXCSVKFLGXDH-LBPRGKRZSA-N 0 3 248.326 1.329 20 10 BDCDHN Cc1cc(O)c(CN[C@H]2CC(=O)N(C)C2)cc1C ZINC000266204937 178196646 /nfs/dbraw/zinc/19/66/46/178196646.db2.gz MHNXCSVKFLGXDH-LBPRGKRZSA-N 0 3 248.326 1.329 20 10 BDCDHN CCC[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823774 343356909 /nfs/dbraw/zinc/35/69/09/343356909.db2.gz FFZFGHGWWUQEDH-NSHDSACASA-N 0 3 236.315 1.478 20 10 BDCDHN Cc1ccc(O)c(CNCc2cncn2C)c1 ZINC000289903694 178797509 /nfs/dbraw/zinc/79/75/09/178797509.db2.gz RDGYDNZCPIGCLU-UHFFFAOYSA-N 0 3 231.299 1.724 20 10 BDCDHN CC1(C)[C@@H](O)C[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000129578183 345258870 /nfs/dbraw/zinc/25/88/70/345258870.db2.gz ZCALMRZPUBUJTQ-KBPBESRZSA-N 0 3 247.338 1.871 20 10 BDCDHN COc1cccc(C[N@H+](C)CC[C@H](C)O)c1[O-] ZINC000093481657 345672675 /nfs/dbraw/zinc/67/26/75/345672675.db2.gz XHGITXSJZWSIMW-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(C[N@@H+](C)CC[C@H](C)O)c1[O-] ZINC000093481657 345672677 /nfs/dbraw/zinc/67/26/77/345672677.db2.gz XHGITXSJZWSIMW-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000132494608 179076961 /nfs/dbraw/zinc/07/69/61/179076961.db2.gz COAOLCAPPABMIQ-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000132494608 179076963 /nfs/dbraw/zinc/07/69/63/179076963.db2.gz COAOLCAPPABMIQ-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(CN2C[C@@H](F)C[C@H]2CO)c1O ZINC000372646743 179084095 /nfs/dbraw/zinc/08/40/95/179084095.db2.gz CLVZQKKCCNLMHZ-RYUDHWBXSA-N 0 3 239.290 1.605 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000376893030 179084460 /nfs/dbraw/zinc/08/44/60/179084460.db2.gz BFSQMIQKRCAKRW-LBPRGKRZSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000376893030 179084465 /nfs/dbraw/zinc/08/44/65/179084465.db2.gz BFSQMIQKRCAKRW-LBPRGKRZSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1cccc(CNCC(=O)NC2CC2)c1O ZINC000158692844 179090771 /nfs/dbraw/zinc/09/07/71/179090771.db2.gz AZRZOBDRZRMZAD-UHFFFAOYSA-N 0 3 234.299 1.069 20 10 BDCDHN CC(C)[C@H](CCO)[NH2+]Cc1ccccc1[O-] ZINC000164859817 191123053 /nfs/dbraw/zinc/12/30/53/191123053.db2.gz WXQBMMVYGOVYEV-LBPRGKRZSA-N 0 3 223.316 1.889 20 10 BDCDHN CCN1CCN(Cc2cccc(C)c2O)CC1 ZINC000124502162 353167291 /nfs/dbraw/zinc/16/72/91/353167291.db2.gz WYABNVCESRCTNO-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCNC(=O)C2CC2)c1 ZINC000113313582 188153771 /nfs/dbraw/zinc/15/37/71/188153771.db2.gz NHEAEVIFYZFEEX-UHFFFAOYSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000188839894 188172380 /nfs/dbraw/zinc/17/23/80/188172380.db2.gz SEALPYKZKNKIRV-DGCLKSJQSA-N 0 3 235.327 1.951 20 10 BDCDHN COc1cccc(CN2CCCOCC2)c1O ZINC000134189627 358781775 /nfs/dbraw/zinc/78/17/75/358781775.db2.gz YMXSJRWDFKZCJA-UHFFFAOYSA-N 0 3 237.299 1.623 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCSCCCO ZINC000163921964 183061528 /nfs/dbraw/zinc/06/15/28/183061528.db2.gz QVSZLLUKRDUZPT-UHFFFAOYSA-N 0 3 241.356 1.597 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000128550266 183151406 /nfs/dbraw/zinc/15/14/06/183151406.db2.gz CCQPFHFRXMZFKI-LLVKDONJSA-N 0 3 207.273 1.349 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000128550266 183151407 /nfs/dbraw/zinc/15/14/07/183151407.db2.gz CCQPFHFRXMZFKI-LLVKDONJSA-N 0 3 207.273 1.349 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCCn1cccn1 ZINC000226584097 183275421 /nfs/dbraw/zinc/27/54/21/183275421.db2.gz XNIZSMDHIPKEOF-UHFFFAOYSA-N 0 3 249.289 1.908 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(O)CCCC1 ZINC000226608880 183275487 /nfs/dbraw/zinc/27/54/87/183275487.db2.gz NUFBTUNKYUMEAO-UHFFFAOYSA-N 0 3 239.290 1.926 20 10 BDCDHN Oc1ccccc1CN1CCO[C@]2(CCOC2)C1 ZINC000187543050 183301178 /nfs/dbraw/zinc/30/11/78/183301178.db2.gz YUSXZZGWNDBWLN-CQSZACIVSA-N 0 3 249.310 1.384 20 10 BDCDHN Oc1ccccc1CN1CCCC2(C1)OCCO2 ZINC000184721213 183302091 /nfs/dbraw/zinc/30/20/91/183302091.db2.gz WYXKBMVIMHSPES-UHFFFAOYSA-N 0 3 249.310 1.731 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCCn1ccnc1 ZINC000020506312 183302528 /nfs/dbraw/zinc/30/25/28/183302528.db2.gz OXEFTYXMHAPZPF-UHFFFAOYSA-N 0 3 231.299 1.769 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCCOC1 ZINC000038043827 183303527 /nfs/dbraw/zinc/30/35/27/183303527.db2.gz MHOKEGWTCXXCID-LLVKDONJSA-N 0 3 221.300 1.908 20 10 BDCDHN CCC[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000262465460 169501809 /nfs/dbraw/zinc/50/18/09/169501809.db2.gz XRJDECQNEPDFMS-LBPRGKRZSA-N 0 3 235.331 1.055 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCN(C)C)c1 ZINC000035628438 383866552 /nfs/dbraw/zinc/86/65/52/383866552.db2.gz WDDLFKIAWSNAIV-NSHDSACASA-N 0 3 222.332 1.913 20 10 BDCDHN CCOc1cccc(C[NH2+]C[C@H](C)CO)c1[O-] ZINC000112017458 383888233 /nfs/dbraw/zinc/88/82/33/383888233.db2.gz YOOKFZVFJVTBEO-JTQLQIEISA-N 0 3 239.315 1.509 20 10 BDCDHN Cc1ccc(O)c(CN2CCNC(=O)C[C@@H]2C)c1 ZINC000377888770 384224391 /nfs/dbraw/zinc/22/43/91/384224391.db2.gz LYTNKKBEFQGABI-NSHDSACASA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H]2CCOC2)c1 ZINC000132770988 384249826 /nfs/dbraw/zinc/24/98/26/384249826.db2.gz ZTWMJDWDIWXQLL-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC000132770988 384249832 /nfs/dbraw/zinc/24/98/32/384249832.db2.gz ZTWMJDWDIWXQLL-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000134245932 384343330 /nfs/dbraw/zinc/34/33/30/384343330.db2.gz VFKZRPZJNYHXJG-CMPLNLGQSA-N 0 3 221.300 1.968 20 10 BDCDHN CN(C)c1ccc(CN(C)[C@H]2CCOC2)cc1 ZINC000120180202 384334152 /nfs/dbraw/zinc/33/41/52/384334152.db2.gz XHDQNYYLOZCKFB-AWEZNQCLSA-N 0 3 234.343 1.973 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CO)c([O-])c1 ZINC000035602322 384412163 /nfs/dbraw/zinc/41/21/63/384412163.db2.gz VXJYERNHSDQEKW-ZJUUUORDSA-N 0 3 209.289 1.732 20 10 BDCDHN CC[C@](C)(O)C[N@H+](C)Cc1ccccc1[O-] ZINC000161802114 384527305 /nfs/dbraw/zinc/52/73/05/384527305.db2.gz ZTDGPBUPESXSJO-ZDUSSCGKSA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@](C)(O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000161802114 384527308 /nfs/dbraw/zinc/52/73/08/384527308.db2.gz ZTDGPBUPESXSJO-ZDUSSCGKSA-N 0 3 223.316 1.985 20 10 BDCDHN CN(C)c1ccc(CNC(=O)C2(N)CCC2)cc1 ZINC000148096656 384871070 /nfs/dbraw/zinc/87/10/70/384871070.db2.gz JVJAAHSWGSFLJQ-UHFFFAOYSA-N 0 3 247.342 1.250 20 10 BDCDHN C[C@@H](CN(C)C)[NH2+]Cc1ccccc1[O-] ZINC000130162062 385021135 /nfs/dbraw/zinc/02/11/35/385021135.db2.gz YHHZLTZBYZBZGC-JTQLQIEISA-N 0 3 208.305 1.432 20 10 BDCDHN C[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111420 385074291 /nfs/dbraw/zinc/07/42/91/385074291.db2.gz IMBXBDCOBBKTQQ-BDAKNGLRSA-N 0 3 227.279 1.953 20 10 BDCDHN C[N@H+](CCN1CCCC1=O)Cc1ccccc1[O-] ZINC000109770384 385191186 /nfs/dbraw/zinc/19/11/86/385191186.db2.gz PQBPKWLCFBXUAQ-UHFFFAOYSA-N 0 3 248.326 1.446 20 10 BDCDHN C[N@@H+](CCN1CCCC1=O)Cc1ccccc1[O-] ZINC000109770384 385191191 /nfs/dbraw/zinc/19/11/91/385191191.db2.gz PQBPKWLCFBXUAQ-UHFFFAOYSA-N 0 3 248.326 1.446 20 10 BDCDHN CCOc1cccc(C[NH2+]C[C@@H](C)OC)c1[O-] ZINC000191206107 385291879 /nfs/dbraw/zinc/29/18/79/385291879.db2.gz GTPQMNBOROJKHG-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN CCN(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179902678 385499982 /nfs/dbraw/zinc/49/99/82/385499982.db2.gz NCOHYJDHYMXRBV-JTQLQIEISA-N 0 3 236.315 1.521 20 10 BDCDHN CC[C@@H](C[NH2+]Cc1cccc(OC)c1[O-])OC ZINC000289926691 385732368 /nfs/dbraw/zinc/73/23/68/385732368.db2.gz VTYQZGNYRCPMLM-NSHDSACASA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1[O-] ZINC000183629642 385778265 /nfs/dbraw/zinc/77/82/65/385778265.db2.gz JOQGPRGPCPOCSW-GXFFZTMASA-N 0 3 237.299 1.194 20 10 BDCDHN C[C@@H](Cn1cccn1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584449 386337722 /nfs/dbraw/zinc/33/77/22/386337722.db2.gz HIOGFBIBMFTSDS-JTQLQIEISA-N 0 3 249.289 1.906 20 10 BDCDHN COC[C@H](C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000228808821 386620486 /nfs/dbraw/zinc/62/04/86/386620486.db2.gz ZYXUZJVKMBQSIH-MNOVXSKESA-N 0 3 239.315 1.704 20 10 BDCDHN COC[C@@H]1CCN1Cc1ccc(N(C)C)cc1 ZINC000293526394 386830023 /nfs/dbraw/zinc/83/00/23/386830023.db2.gz IZAYXDLWEPKWIK-AWEZNQCLSA-N 0 3 234.343 1.973 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCCCO)c1 ZINC000193277037 387204232 /nfs/dbraw/zinc/20/42/32/387204232.db2.gz JPAKMZCXUAJOIW-UHFFFAOYSA-N 0 3 209.289 1.563 20 10 BDCDHN C[C@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296196314 388418684 /nfs/dbraw/zinc/41/86/84/388418684.db2.gz YTMGUYXZDVLFDU-SCZZXKLOSA-N 0 3 207.273 1.350 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000273612487 389043083 /nfs/dbraw/zinc/04/30/83/389043083.db2.gz WLQPPFWFXAPTTN-WDEREUQCSA-N 0 3 248.326 1.582 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000273612486 389043215 /nfs/dbraw/zinc/04/32/15/389043215.db2.gz WLQPPFWFXAPTTN-QWRGUYRKSA-N 0 3 248.326 1.582 20 10 BDCDHN CC(C)NC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036781640 167057584 /nfs/dbraw/zinc/05/75/84/167057584.db2.gz JPFMCVPMJOABMV-JTQLQIEISA-N 0 3 236.315 1.567 20 10 BDCDHN CC(C)NC(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226581898 167058839 /nfs/dbraw/zinc/05/88/39/167058839.db2.gz ZBWVQXVFBNNLNC-UHFFFAOYSA-N 0 3 240.278 1.146 20 10 BDCDHN CC[C@@](C)(O)C[NH2+]Cc1cc(OC)ccc1[O-] ZINC000087011390 171183997 /nfs/dbraw/zinc/18/39/97/171183997.db2.gz FKJUNFJDTYVJOW-CYBMUJFWSA-N 0 3 239.315 1.651 20 10 BDCDHN CN(C)C(=O)CCC[NH2+]Cc1ccccc1[O-] ZINC000134229891 172357120 /nfs/dbraw/zinc/35/71/20/172357120.db2.gz BRBXPBIRXKJCIN-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN CNC(=O)[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000042561416 173303243 /nfs/dbraw/zinc/30/32/43/173303243.db2.gz UPCQXQGLOBJMJO-UWVGGRQHSA-N 0 3 236.315 1.486 20 10 BDCDHN COCCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879509 174247804 /nfs/dbraw/zinc/24/78/04/174247804.db2.gz ODXMGWSUKLTQNT-UHFFFAOYSA-N 0 3 239.271 1.247 20 10 BDCDHN COC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094618275 174497279 /nfs/dbraw/zinc/49/72/79/174497279.db2.gz SEPVVXWBBRPPTM-WPRPVWTQSA-N 0 3 243.278 1.189 20 10 BDCDHN COC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000071264960 174498781 /nfs/dbraw/zinc/49/87/81/174498781.db2.gz YVMWENYSVJPPTL-MNOVXSKESA-N 0 3 239.315 1.359 20 10 BDCDHN CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000133140190 174713738 /nfs/dbraw/zinc/71/37/38/174713738.db2.gz UDNXNDAMHZTKIO-ZJUUUORDSA-N 0 3 209.289 1.905 20 10 BDCDHN COc1ccc(O)c([C@@H](C)NCc2cn[nH]c2)c1 ZINC000038005754 175159763 /nfs/dbraw/zinc/15/97/63/175159763.db2.gz FNZRITCLDWSHPB-SECBINFHSA-N 0 3 247.298 1.975 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000086629173 175160997 /nfs/dbraw/zinc/16/09/97/175160997.db2.gz KKTRZHYDABDAFJ-VHSXEESVSA-N 0 3 239.315 1.680 20 10 BDCDHN COc1cccc(C[NH2+]C[C@@H](O)C(C)C)c1[O-] ZINC000134698236 175264072 /nfs/dbraw/zinc/26/40/72/175264072.db2.gz PAVCVHUECZDXHY-LLVKDONJSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1cccc(CNCc2c[nH]nc2C)c1O ZINC000038011164 175265322 /nfs/dbraw/zinc/26/53/22/175265322.db2.gz PGDJJCCHTIOMDY-UHFFFAOYSA-N 0 3 247.298 1.722 20 10 BDCDHN COc1cccc(C[NH2+][C@@H](C)CN(C)C)c1[O-] ZINC000168753986 175265473 /nfs/dbraw/zinc/26/54/73/175265473.db2.gz AZGLCSQGVNTZLZ-JTQLQIEISA-N 0 3 238.331 1.441 20 10 BDCDHN COc1cccc(C[NH2+]C[C@H](O)C(C)C)c1[O-] ZINC000134698256 175265792 /nfs/dbraw/zinc/26/57/92/175265792.db2.gz PAVCVHUECZDXHY-NSHDSACASA-N 0 3 239.315 1.507 20 10 BDCDHN COc1cccc(CNCc2cncn2C)c1O ZINC000289449928 175266114 /nfs/dbraw/zinc/26/61/14/175266114.db2.gz NBCJTDHMBJDDPC-UHFFFAOYSA-N 0 3 247.298 1.424 20 10 BDCDHN COc1cccc(C[NH2+][C@@H]2CCSC2)c1[O-] ZINC000230705116 175267302 /nfs/dbraw/zinc/26/73/02/175267302.db2.gz DNFGJJUHIMLMBY-SNVBAGLBSA-N 0 3 239.340 1.996 20 10 BDCDHN COc1cccc(C[NH2+][C@H](CO)C(C)C)c1[O-] ZINC000092393528 175267612 /nfs/dbraw/zinc/26/76/12/175267612.db2.gz IEEYRQHARBWAHY-LLVKDONJSA-N 0 3 239.315 1.507 20 10 BDCDHN C[C@@H](CN(C)C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297436610 175700587 /nfs/dbraw/zinc/70/05/87/175700587.db2.gz VSOKLPVFGJUDHI-JQWIXIFHSA-N 0 3 234.343 1.919 20 10 BDCDHN C[C@@H]1COCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000369451438 176333421 /nfs/dbraw/zinc/33/34/21/176333421.db2.gz JNLNVPMNQUVDPZ-JTQLQIEISA-N 0 3 239.290 2.000 20 10 BDCDHN C[C@@H]1COCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000369451438 176333422 /nfs/dbraw/zinc/33/34/22/176333422.db2.gz JNLNVPMNQUVDPZ-JTQLQIEISA-N 0 3 239.290 2.000 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC23CC(C2)CO3)c1 ZINC000527789892 262882297 /nfs/dbraw/zinc/88/22/97/262882297.db2.gz PWWKZTMTNIYYLS-UHFFFAOYSA-N 0 3 233.311 1.969 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000127042632 491132047 /nfs/dbraw/zinc/13/20/47/491132047.db2.gz UKCTUNZLCHDHGP-JQWIXIFHSA-N 0 3 221.300 1.907 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000127042178 491132058 /nfs/dbraw/zinc/13/20/58/491132058.db2.gz UKCTUNZLCHDHGP-CMPLNLGQSA-N 0 3 221.300 1.907 20 10 BDCDHN C[NH2+]C[C@@H](C)NCc1c([O-])cccc1Cl ZINC000853249545 588728862 /nfs/dbraw/zinc/72/88/62/588728862.db2.gz RCLPBMGNDACWKH-MRVPVSSYSA-N 0 3 228.723 1.743 20 10 BDCDHN [O-]c1cc2c(cc1C[N@@H+]1CC[C@@H]3C[C@@H]3C1)OCO2 ZINC000853581667 588749877 /nfs/dbraw/zinc/74/98/77/588749877.db2.gz WXJYUGCPYSAQGL-NXEZZACHSA-N 0 3 247.294 1.963 20 10 BDCDHN [O-]c1cc2c(cc1C[N@H+]1CC[C@@H]3C[C@@H]3C1)OCO2 ZINC000853581667 588749878 /nfs/dbraw/zinc/74/98/78/588749878.db2.gz WXJYUGCPYSAQGL-NXEZZACHSA-N 0 3 247.294 1.963 20 10 BDCDHN [NH2+]=C(NCc1ccccc1[O-])N1CCC1 ZINC000848984818 582817024 /nfs/dbraw/zinc/81/70/24/582817024.db2.gz GLWMTNSKXRVVIU-UHFFFAOYSA-N 0 3 205.261 1.122 20 10 BDCDHN COC(=O)C1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000877721595 583345126 /nfs/dbraw/zinc/34/51/26/583345126.db2.gz STIFPVKVQDDTKL-UHFFFAOYSA-N 0 3 235.283 1.433 20 10 BDCDHN COc1ccc(CNC[C@H]2COCO2)cc1C ZINC000894871699 583540166 /nfs/dbraw/zinc/54/01/66/583540166.db2.gz VSVUWUZYDMYJFO-LBPRGKRZSA-N 0 3 237.299 1.466 20 10 BDCDHN CC1=NO[C@@H](C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000895305423 583643467 /nfs/dbraw/zinc/64/34/67/583643467.db2.gz SDZBIJAWKCSQKB-LLVKDONJSA-N 0 3 234.299 1.955 20 10 BDCDHN CC1=NO[C@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000895310006 583646346 /nfs/dbraw/zinc/64/63/46/583646346.db2.gz FDXZSEWRDJIILM-ZDUSSCGKSA-N 0 3 246.310 1.876 20 10 BDCDHN COC(OC)[C@@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000895791136 583728353 /nfs/dbraw/zinc/72/83/53/583728353.db2.gz ZPXCEZVEDWGFFC-SNVBAGLBSA-N 0 3 239.315 1.798 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2COC[C@H]2C)c([O-])c1 ZINC000896733137 583827796 /nfs/dbraw/zinc/82/77/96/583827796.db2.gz NCEAHIMOJWIHPD-PWSUYJOCSA-N 0 3 221.300 1.825 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)c([O-])c1 ZINC000896733135 583827994 /nfs/dbraw/zinc/82/79/94/583827994.db2.gz NCEAHIMOJWIHPD-CMPLNLGQSA-N 0 3 221.300 1.825 20 10 BDCDHN Cc1cccc(C[NH2+]CC[C@H]2CNC(=O)C2)c1[O-] ZINC000896899202 583850017 /nfs/dbraw/zinc/85/00/17/583850017.db2.gz TZVHOWAAAYDWDB-LLVKDONJSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000858249082 588940464 /nfs/dbraw/zinc/94/04/64/588940464.db2.gz JLXWCKWBKLYMIE-HOMQSWHASA-N 0 3 234.299 1.054 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1C ZINC000858296160 588942701 /nfs/dbraw/zinc/94/27/01/588942701.db2.gz KPLVYKLXKXOROV-BJHJDKERSA-N 0 3 235.327 1.870 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897684010 584040303 /nfs/dbraw/zinc/04/03/03/584040303.db2.gz JCLFFDBFUCOINX-ZWNOBZJWSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897684010 584040304 /nfs/dbraw/zinc/04/03/04/584040304.db2.gz JCLFFDBFUCOINX-ZWNOBZJWSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1[O-] ZINC000897818465 584050871 /nfs/dbraw/zinc/05/08/71/584050871.db2.gz JBSLAXBOTYOPGE-JYKNGBAOSA-N 0 3 245.322 1.966 20 10 BDCDHN CN(C)c1ccc(CN[C@@]2(C)CCNC2=O)cc1 ZINC000897874420 584056753 /nfs/dbraw/zinc/05/67/53/584056753.db2.gz WZDRTDLKGUEJPY-AWEZNQCLSA-N 0 3 247.342 1.121 20 10 BDCDHN CC[NH2+]CCNCc1c([O-])cccc1Cl ZINC000841038125 584083105 /nfs/dbraw/zinc/08/31/05/584083105.db2.gz WUDJHUPOPLYHKP-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN Cc1cccc(C[NH2+]CC[C@H](O)C2CC2)c1[O-] ZINC000898202146 584089837 /nfs/dbraw/zinc/08/98/37/584089837.db2.gz DTNITSVJNZSPFA-ZDUSSCGKSA-N 0 3 235.327 1.951 20 10 BDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000787420567 584119537 /nfs/dbraw/zinc/11/95/37/584119537.db2.gz IYECOHSCTKIPNA-ZYHUDNBSSA-N 0 3 249.310 1.776 20 10 BDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000787420567 584119538 /nfs/dbraw/zinc/11/95/38/584119538.db2.gz IYECOHSCTKIPNA-ZYHUDNBSSA-N 0 3 249.310 1.776 20 10 BDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCCON)c([O-])c1 ZINC000902424170 584593765 /nfs/dbraw/zinc/59/37/65/584593765.db2.gz JRQNQIOPCVSJNK-NSHDSACASA-N 0 3 238.331 1.940 20 10 BDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCCON)c([O-])c1 ZINC000902424166 584593892 /nfs/dbraw/zinc/59/38/92/584593892.db2.gz JRQNQIOPCVSJNK-LLVKDONJSA-N 0 3 238.331 1.940 20 10 BDCDHN [NH3+]CC[C@@H](NCc1cc(F)ccc1[O-])C(F)F ZINC000841074400 584696594 /nfs/dbraw/zinc/69/65/94/584696594.db2.gz PMAFEBRYCDAJNL-SECBINFHSA-N 0 3 248.248 1.603 20 10 BDCDHN COc1cccc([O-])c1CN[C@@H]1C[NH2+]C[C@H]1C ZINC000903960291 584828511 /nfs/dbraw/zinc/82/85/11/584828511.db2.gz CFZBRELQINXCKF-MWLCHTKSSA-N 0 3 236.315 1.098 20 10 BDCDHN COCCOC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000742377605 585125317 /nfs/dbraw/zinc/12/53/17/585125317.db2.gz WFPZJBKAZDSPMJ-LLVKDONJSA-N 0 3 239.315 1.533 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCOC(C)C ZINC000757979084 585347927 /nfs/dbraw/zinc/34/79/27/585347927.db2.gz XFDJJDAFUHGUTO-UHFFFAOYSA-N 0 3 239.315 1.915 20 10 BDCDHN CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000765794966 585492839 /nfs/dbraw/zinc/49/28/39/585492839.db2.gz GOLGTKMDZJJSCX-NWDGAFQWSA-N 0 3 248.326 1.397 20 10 BDCDHN CCOc1ccc(C[N@@H+]2CC[C@H](O)C2)c([O-])c1 ZINC000768410768 585538094 /nfs/dbraw/zinc/53/80/94/585538094.db2.gz ZCIJCJORUUHJEV-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN CCOc1ccc(C[N@H+]2CC[C@H](O)C2)c([O-])c1 ZINC000768410768 585538095 /nfs/dbraw/zinc/53/80/95/585538095.db2.gz ZCIJCJORUUHJEV-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN [O-]c1cc2c(cc1C[NH+]1CCCCC1)[C@@H](O)CO2 ZINC000768438706 585538530 /nfs/dbraw/zinc/53/85/30/585538530.db2.gz XFIFZIAQEZZRGU-ZDUSSCGKSA-N 0 3 249.310 1.804 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768443971 585538797 /nfs/dbraw/zinc/53/87/97/585538797.db2.gz KEISHHWBFQAHRR-TVQRCGJNSA-N 0 3 249.310 1.660 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768443971 585538798 /nfs/dbraw/zinc/53/87/98/585538798.db2.gz KEISHHWBFQAHRR-TVQRCGJNSA-N 0 3 249.310 1.660 20 10 BDCDHN C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465786 585538974 /nfs/dbraw/zinc/53/89/74/585538974.db2.gz LHKXTFYXLQIWMY-RNCFNFMXSA-N 0 3 249.310 1.802 20 10 BDCDHN C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768465786 585538975 /nfs/dbraw/zinc/53/89/75/585538975.db2.gz LHKXTFYXLQIWMY-RNCFNFMXSA-N 0 3 249.310 1.802 20 10 BDCDHN CC[N@H+](CCCO)Cc1cc(C)ccc1[O-] ZINC000769484767 585558158 /nfs/dbraw/zinc/55/81/58/585558158.db2.gz ZDLZIEMZXDWLOG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CC[N@@H+](CCCO)Cc1cc(C)ccc1[O-] ZINC000769484767 585558159 /nfs/dbraw/zinc/55/81/59/585558159.db2.gz ZDLZIEMZXDWLOG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H](CO)CC2CC2)c1[O-] ZINC000776251969 585694054 /nfs/dbraw/zinc/69/40/54/585694054.db2.gz GUMOENMZPYXTFE-CYBMUJFWSA-N 0 3 235.327 1.951 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H]1CCO ZINC000779201249 585747109 /nfs/dbraw/zinc/74/71/09/585747109.db2.gz CELWONZJMZWFHU-LBPRGKRZSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H]1CCO ZINC000779201249 585747110 /nfs/dbraw/zinc/74/71/10/585747110.db2.gz CELWONZJMZWFHU-LBPRGKRZSA-N 0 3 221.300 1.739 20 10 BDCDHN CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000793820157 586027123 /nfs/dbraw/zinc/02/71/23/586027123.db2.gz KLLDDXKGDQJCTA-MFKMUULPSA-N 0 3 249.310 1.802 20 10 BDCDHN CC[C@@H]1CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000793820157 586027124 /nfs/dbraw/zinc/02/71/24/586027124.db2.gz KLLDDXKGDQJCTA-MFKMUULPSA-N 0 3 249.310 1.802 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCC[S@@](C)=O)c1 ZINC000116919772 589055747 /nfs/dbraw/zinc/05/57/47/589055747.db2.gz ZVEDHOMMCGHSBV-INIZCTEOSA-N 0 3 241.356 1.559 20 10 BDCDHN Cc1cc(CN2CC[C@H](O)C2)ccc1N(C)C ZINC000815037894 586664424 /nfs/dbraw/zinc/66/44/24/586664424.db2.gz YSYPBJQPPHRDFR-ZDUSSCGKSA-N 0 3 234.343 1.628 20 10 BDCDHN C[C@@H]1CCN(CC(=O)NCc2ccccc2O)C1 ZINC000816912362 586771230 /nfs/dbraw/zinc/77/12/30/586771230.db2.gz URTYMWAWOSWRCB-LLVKDONJSA-N 0 3 248.326 1.350 20 10 BDCDHN C[C@H](N[C@H]1CC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817945303 586845898 /nfs/dbraw/zinc/84/58/98/586845898.db2.gz ZBPSFXMPMBJCFF-WPRPVWTQSA-N 0 3 224.279 1.544 20 10 BDCDHN CC[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000817944914 586846377 /nfs/dbraw/zinc/84/63/77/586846377.db2.gz OYTKDFREGPLTGM-PWSUYJOCSA-N 0 3 220.316 1.795 20 10 BDCDHN CC[C@H]([NH2+]C1CNC1)c1ccc(F)cc1[O-] ZINC000817955666 586847098 /nfs/dbraw/zinc/84/70/98/586847098.db2.gz DTUTWYCORSDCEH-NSHDSACASA-N 0 3 224.279 1.544 20 10 BDCDHN C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000817953306 586848828 /nfs/dbraw/zinc/84/88/28/586848828.db2.gz ZTIDAOBFFIIORT-MNOVXSKESA-N 0 3 220.316 1.795 20 10 BDCDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)ccc1[O-] ZINC000817977310 586861647 /nfs/dbraw/zinc/86/16/47/586861647.db2.gz HGJYDTGDOHKKSU-UVRHIYEWSA-N 0 3 236.290 1.400 20 10 BDCDHN COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000824703188 587283375 /nfs/dbraw/zinc/28/33/75/587283375.db2.gz XUMFJJQFVQDQKZ-NEPJUHHUSA-N 0 3 249.310 1.824 20 10 BDCDHN CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000825197212 587309945 /nfs/dbraw/zinc/30/99/45/587309945.db2.gz VERMVHLNMGJCQL-DGCLKSJQSA-N 0 3 237.299 1.286 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](CCCO)C1 ZINC000825338942 587316147 /nfs/dbraw/zinc/31/61/47/587316147.db2.gz WXWQCBCVYFMAOP-LBPRGKRZSA-N 0 3 235.327 1.987 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](CCCO)C1 ZINC000825338942 587316149 /nfs/dbraw/zinc/31/61/49/587316149.db2.gz WXWQCBCVYFMAOP-LBPRGKRZSA-N 0 3 235.327 1.987 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827290500 587375459 /nfs/dbraw/zinc/37/54/59/587375459.db2.gz HHXILKYBZWJHQT-GXFFZTMASA-N 0 3 237.274 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827290500 587375460 /nfs/dbraw/zinc/37/54/60/587375460.db2.gz HHXILKYBZWJHQT-GXFFZTMASA-N 0 3 237.274 1.488 20 10 BDCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000827501635 587384211 /nfs/dbraw/zinc/38/42/11/587384211.db2.gz ZERWDJJXOSCJLH-TXEJJXNPSA-N 0 3 249.310 1.742 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C1(CO)CCC1 ZINC000827903657 587408933 /nfs/dbraw/zinc/40/89/33/587408933.db2.gz NFEJTXFSFFKSSK-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C1(CO)CCC1 ZINC000827903657 587408934 /nfs/dbraw/zinc/40/89/34/587408934.db2.gz NFEJTXFSFFKSSK-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN COc1ccc(O)c(CN(C)C2(CO)CC2)c1 ZINC000827904154 587409651 /nfs/dbraw/zinc/40/96/51/587409651.db2.gz VIZJYXISCNMWRQ-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)C2(CO)CC2)c1 ZINC000827904154 587409653 /nfs/dbraw/zinc/40/96/53/587409653.db2.gz VIZJYXISCNMWRQ-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)C2(CO)CC2)c1 ZINC000827904154 587409654 /nfs/dbraw/zinc/40/96/54/587409654.db2.gz VIZJYXISCNMWRQ-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN CN(C)c1ccc(/C=C\CN2CC[C@H](O)C2)cc1 ZINC000835026148 587779149 /nfs/dbraw/zinc/77/91/49/587779149.db2.gz QUAKIVKVTBXTKM-JZIMQPMSSA-N 0 3 246.354 1.832 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+]C1CCNCC1 ZINC000841026506 587935248 /nfs/dbraw/zinc/93/52/48/587935248.db2.gz FQZXJCUTMSISEO-UHFFFAOYSA-N 0 3 224.279 1.373 20 10 BDCDHN [O-]c1c(F)cccc1CNC1CC[NH2+]CC1 ZINC000841026506 587935249 /nfs/dbraw/zinc/93/52/49/587935249.db2.gz FQZXJCUTMSISEO-UHFFFAOYSA-N 0 3 224.279 1.373 20 10 BDCDHN C[NH2+]CCNCc1c([O-])cc(C)cc1Cl ZINC000841037153 587937925 /nfs/dbraw/zinc/93/79/25/587937925.db2.gz PFWPYSHPCSSPKB-UHFFFAOYSA-N 0 3 228.723 1.663 20 10 BDCDHN [O-]c1ccc(Cl)cc1CNC[C@H]1CCC[NH2+]1 ZINC000841036715 587938152 /nfs/dbraw/zinc/93/81/52/587938152.db2.gz WGRBEZAYUHWODN-LLVKDONJSA-N 0 3 240.734 1.887 20 10 BDCDHN C[C@H](CN)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841048313 587939251 /nfs/dbraw/zinc/93/92/51/587939251.db2.gz HHCBCSBDZOQTTR-MRVPVSSYSA-N 0 3 228.723 1.730 20 10 BDCDHN [NH3+][C@@H](CNCc1c([O-])cccc1Cl)C1CC1 ZINC000841048938 587940189 /nfs/dbraw/zinc/94/01/89/587940189.db2.gz HHAGRDNMHTXYPV-NSHDSACASA-N 0 3 240.734 1.873 20 10 BDCDHN N[C@@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000841048938 587940191 /nfs/dbraw/zinc/94/01/91/587940191.db2.gz HHAGRDNMHTXYPV-NSHDSACASA-N 0 3 240.734 1.873 20 10 BDCDHN C[C@@H]1CCNC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841059760 587940771 /nfs/dbraw/zinc/94/07/71/587940771.db2.gz WTTCMAKJPSOOEQ-BXKDBHETSA-N 0 3 238.306 1.619 20 10 BDCDHN C[C@@H]1CC[NH2+]C[C@H]1NCc1cccc(F)c1[O-] ZINC000841059760 587940772 /nfs/dbraw/zinc/94/07/72/587940772.db2.gz WTTCMAKJPSOOEQ-BXKDBHETSA-N 0 3 238.306 1.619 20 10 BDCDHN Cc1cc([O-])c(CN[C@@H](C)C[NH3+])c(Cl)c1 ZINC000841065363 587941781 /nfs/dbraw/zinc/94/17/81/587941781.db2.gz BKBVHYVYIMNNAD-QMMMGPOBSA-N 0 3 228.723 1.791 20 10 BDCDHN [NH3+]CC[C@H](NCc1ccccc1[O-])C(F)F ZINC000841073262 587944405 /nfs/dbraw/zinc/94/44/05/587944405.db2.gz GKVDUJYSDMTNNK-VIFPVBQESA-N 0 3 230.258 1.464 20 10 BDCDHN [O-]c1c(Cl)cccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077231 587945098 /nfs/dbraw/zinc/94/50/98/587945098.db2.gz FINBWUMBNZEGNG-JZYVYDRUSA-N 0 3 238.718 1.353 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1[O-] ZINC000841077575 587945134 /nfs/dbraw/zinc/94/51/34/587945134.db2.gz BURCXSLURNCRRT-RYUDHWBXSA-N 0 3 238.306 1.490 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccccc1[O-] ZINC000841760661 587974221 /nfs/dbraw/zinc/97/42/21/587974221.db2.gz XOFGGIJJIBUVPN-OUJBWJOFSA-N 0 3 221.300 1.956 20 10 BDCDHN CCOc1ccc(CN2CC[C@H]([NH3+])C2)c([O-])c1 ZINC000843047424 588076113 /nfs/dbraw/zinc/07/61/13/588076113.db2.gz UXUVONKJKSFTFN-NSHDSACASA-N 0 3 236.315 1.324 20 10 BDCDHN C[NH2+]C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000843049728 588077021 /nfs/dbraw/zinc/07/70/21/588077021.db2.gz UUDAFHGRPRQCAX-UHFFFAOYSA-N 0 3 238.306 1.715 20 10 BDCDHN C[C@@H](CCO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000846111580 588257448 /nfs/dbraw/zinc/25/74/48/588257448.db2.gz QVZWXEBWHZCBNT-VIFPVBQESA-N 0 3 227.279 1.734 20 10 BDCDHN C[C@@H](CCO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000846111580 588257449 /nfs/dbraw/zinc/25/74/49/588257449.db2.gz QVZWXEBWHZCBNT-VIFPVBQESA-N 0 3 227.279 1.734 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]C[C@H](C)O)c1[O-] ZINC000846138299 588258516 /nfs/dbraw/zinc/25/85/16/588258516.db2.gz QEOVCYYSVFFBJN-DTWKUNHWSA-N 0 3 225.288 1.432 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H](CO)CCF)CC2 ZINC000846210318 588260103 /nfs/dbraw/zinc/26/01/03/588260103.db2.gz XZNCRZMAPNEVPG-GHMZBOCLSA-N 0 3 239.290 1.690 20 10 BDCDHN C[C@@H]1C[C@H]([NH3+])CCN1Cc1cccc(F)c1[O-] ZINC000846701861 588283611 /nfs/dbraw/zinc/28/36/11/588283611.db2.gz DUANCMORAXKYFR-MWLCHTKSSA-N 0 3 238.306 1.843 20 10 BDCDHN CCc1cccc(C[N@H+](C)C[C@@H](C)O)c1[O-] ZINC000848902969 588418295 /nfs/dbraw/zinc/41/82/95/588418295.db2.gz VWKULVCQGJIOBM-SNVBAGLBSA-N 0 3 223.316 1.767 20 10 BDCDHN CCc1cccc(C[N@@H+](C)C[C@@H](C)O)c1[O-] ZINC000848902969 588418296 /nfs/dbraw/zinc/41/82/96/588418296.db2.gz VWKULVCQGJIOBM-SNVBAGLBSA-N 0 3 223.316 1.767 20 10 BDCDHN CCc1cccc(CN2CC(C)(CO)C2)c1O ZINC000848916852 588420848 /nfs/dbraw/zinc/42/08/48/588420848.db2.gz NUPHSFDXUAVMTF-UHFFFAOYSA-N 0 3 235.327 1.769 20 10 BDCDHN CCN(CC)C(=[NH2+])NCc1ccccc1[O-] ZINC000848985038 588425374 /nfs/dbraw/zinc/42/53/74/588425374.db2.gz YKZGZZBELYCNCV-UHFFFAOYSA-N 0 3 221.304 1.758 20 10 BDCDHN COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000850113625 588520515 /nfs/dbraw/zinc/52/05/15/588520515.db2.gz OYHCZLMWQNRPRJ-ZMLRMANQSA-N 0 3 249.310 1.679 20 10 BDCDHN CN(C)c1ccc(/C=C/CNC/C=C\CO)cc1 ZINC000850358044 588539462 /nfs/dbraw/zinc/53/94/62/588539462.db2.gz ZYEWQRXIXVAUCJ-DNVGVPOPSA-N 0 3 246.354 1.904 20 10 BDCDHN CON(C)CC[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000850478985 588550354 /nfs/dbraw/zinc/55/03/54/588550354.db2.gz JGRGCPVILFECPJ-NSHDSACASA-N 0 3 238.331 1.844 20 10 BDCDHN CC[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(C)cc1[O-] ZINC000850481257 588551447 /nfs/dbraw/zinc/55/14/47/588551447.db2.gz IFNAYRGLZOGLSI-RYUDHWBXSA-N 0 3 248.326 1.630 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1C[C@H](O)C1)CC2 ZINC000850579049 588561892 /nfs/dbraw/zinc/56/18/92/588561892.db2.gz RHOLVERVFLHICK-DCAQKATOSA-N 0 3 219.284 1.492 20 10 BDCDHN CC[C@@H](NC)C(=O)Nc1ccc(N)cc1 ZINC000852790858 588701843 /nfs/dbraw/zinc/70/18/43/588701843.db2.gz UZHZZLGOIDEYLH-SNVBAGLBSA-N 0 3 207.277 1.205 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](CO)C2)cc1C ZINC000865662648 589455150 /nfs/dbraw/zinc/45/51/50/589455150.db2.gz GZHOOFBTVYMQTB-BJHJDKERSA-N 0 3 235.327 1.870 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865691544 589456401 /nfs/dbraw/zinc/45/64/01/589456401.db2.gz BPDYSAVFDPYIFS-SZWZKDINSA-N 0 3 245.322 1.905 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000866421048 589491590 /nfs/dbraw/zinc/49/15/90/589491590.db2.gz VGJXPMAPCXAGSA-XWIASGKRSA-N 0 3 237.299 1.111 20 10 BDCDHN CC[S@@](=O)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000123703315 589772164 /nfs/dbraw/zinc/77/21/64/589772164.db2.gz HICRLCFOIMHBJN-INIZCTEOSA-N 0 3 241.356 1.559 20 10 BDCDHN COC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000876501227 590203004 /nfs/dbraw/zinc/20/30/04/590203004.db2.gz KZHCEMBQYPXDAL-LLVKDONJSA-N 0 3 237.303 1.108 20 10 BDCDHN CCC[N@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000876537803 590211692 /nfs/dbraw/zinc/21/16/92/590211692.db2.gz CTCZRTGCXRDVHN-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CCC[N@@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000876537803 590211693 /nfs/dbraw/zinc/21/16/93/590211693.db2.gz CTCZRTGCXRDVHN-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[NH+]1CCC(CO)CC1 ZINC000876565343 590217092 /nfs/dbraw/zinc/21/70/92/590217092.db2.gz UONBVIDFVNFOSO-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+](CCO)C2CC2)c([O-])c1 ZINC000876579119 590218040 /nfs/dbraw/zinc/21/80/40/590218040.db2.gz BIHZHVRIJHNOTM-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[N@@H+](CCO)C2CC2)c([O-])c1 ZINC000876579119 590218041 /nfs/dbraw/zinc/21/80/41/590218041.db2.gz BIHZHVRIJHNOTM-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@H]1O ZINC000876815173 590245974 /nfs/dbraw/zinc/24/59/74/590245974.db2.gz NMDXWJLVJMEFJM-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1O ZINC000876815173 590245975 /nfs/dbraw/zinc/24/59/75/590245975.db2.gz NMDXWJLVJMEFJM-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C1CCOCC1 ZINC000876948125 590260033 /nfs/dbraw/zinc/26/00/33/590260033.db2.gz GKUVBTQNPOIPJY-UHFFFAOYSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)c([O-])c1 ZINC000876965716 590262154 /nfs/dbraw/zinc/26/21/54/590262154.db2.gz IUGPIJGFNFSJLY-JTQLQIEISA-N 0 3 249.232 1.713 20 10 BDCDHN COCCOCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876968706 590262349 /nfs/dbraw/zinc/26/23/49/590262349.db2.gz JQPMJHRQWBYYFM-UHFFFAOYSA-N 0 3 239.315 1.453 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000877028655 590271679 /nfs/dbraw/zinc/27/16/79/590271679.db2.gz CFGVHBCSEBKTLH-CQSZACIVSA-N 0 3 235.327 1.951 20 10 BDCDHN COC[C@@H](CCO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877048316 590274391 /nfs/dbraw/zinc/27/43/91/590274391.db2.gz KSAHLSMDHNTZNA-LLVKDONJSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000877071442 590277525 /nfs/dbraw/zinc/27/75/25/590277525.db2.gz NWOMKGZRVDBHPS-WCQYABFASA-N 0 3 235.327 1.951 20 10 BDCDHN CN(C(=O)[C@@H](N)C1CCC1)c1ccc(N)cc1 ZINC000877076978 590278912 /nfs/dbraw/zinc/27/89/12/590278912.db2.gz ZJDVKZCFAGQLMN-LBPRGKRZSA-N 0 3 233.315 1.359 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CC(N)=O ZINC000877094857 590281555 /nfs/dbraw/zinc/28/15/55/590281555.db2.gz UWNYBMFZFJVICU-VIFPVBQESA-N 0 3 222.288 1.054 20 10 BDCDHN CC[C@H](O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877112832 590287554 /nfs/dbraw/zinc/28/75/54/590287554.db2.gz YLZZGKPLKONVQM-LBPRGKRZSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+]C2(CO)CCC2)c([O-])c1 ZINC000877140230 590291712 /nfs/dbraw/zinc/29/17/12/590291712.db2.gz BXAGWQLOXTYFHD-UHFFFAOYSA-N 0 3 221.300 1.705 20 10 BDCDHN COC[C@@](C)(CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877155636 590293243 /nfs/dbraw/zinc/29/32/43/590293243.db2.gz ISKOJCZVJHBOAE-CYBMUJFWSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc(C[NH2+]C2(CO)CC2)c([O-])c1 ZINC000877164477 590294841 /nfs/dbraw/zinc/29/48/41/590294841.db2.gz SKEYJLDUUXOXHN-UHFFFAOYSA-N 0 3 207.273 1.315 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C[C@H](C)O ZINC000877195270 590299456 /nfs/dbraw/zinc/29/94/56/590299456.db2.gz FWVZDSPZDRFHBD-QWRGUYRKSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCCn1ccnn1 ZINC000877309487 590312481 /nfs/dbraw/zinc/31/24/81/590312481.db2.gz MBGCKLADAZVGEO-UHFFFAOYSA-N 0 3 246.314 1.472 20 10 BDCDHN Cc1ccc(C[NH2+]CCC(C)(C)O)c([O-])c1 ZINC000877421788 590325604 /nfs/dbraw/zinc/32/56/04/590325604.db2.gz NXROYYIGNOBLJN-UHFFFAOYSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c([O-])c1 ZINC000877430720 590326227 /nfs/dbraw/zinc/32/62/27/590326227.db2.gz POQAZVNFQOALQQ-QWHCGFSZSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC000877468070 590334400 /nfs/dbraw/zinc/33/44/00/590334400.db2.gz YCMCPUSIMCDOAG-JQWIXIFHSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c([O-])c1 ZINC000877468070 590334402 /nfs/dbraw/zinc/33/44/02/590334402.db2.gz YCMCPUSIMCDOAG-JQWIXIFHSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)C1CC1 ZINC000877526505 590348182 /nfs/dbraw/zinc/34/81/82/590348182.db2.gz SAZGLVUEWSUZTL-ZDUSSCGKSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1ccc(C[N@H+](C)C[C@@H](O)C2CC2)c([O-])c1 ZINC000877527712 590348887 /nfs/dbraw/zinc/34/88/87/590348887.db2.gz OCJLZTMYDVZNEK-CQSZACIVSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+](C)C[C@@H](O)C2CC2)c([O-])c1 ZINC000877527712 590348890 /nfs/dbraw/zinc/34/88/90/590348890.db2.gz OCJLZTMYDVZNEK-CQSZACIVSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000877535516 590350309 /nfs/dbraw/zinc/35/03/09/590350309.db2.gz PEVQBNRFOAXRDH-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c([O-])c1 ZINC000877535516 590350311 /nfs/dbraw/zinc/35/03/11/590350311.db2.gz PEVQBNRFOAXRDH-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(CNCc2cnnn2C)c(O)c1 ZINC000877534972 590350449 /nfs/dbraw/zinc/35/04/49/590350449.db2.gz RDQUBKFZZIFFRM-UHFFFAOYSA-N 0 3 232.287 1.119 20 10 BDCDHN CCCN(CC(N)=O)Cc1ccc(C)cc1O ZINC000877547654 590354498 /nfs/dbraw/zinc/35/44/98/590354498.db2.gz FGQNDCBOMBXMOS-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000877575433 590363860 /nfs/dbraw/zinc/36/38/60/590363860.db2.gz TZYHKBFZIQXAFS-DGCLKSJQSA-N 0 3 235.327 1.951 20 10 BDCDHN CCNC(=O)C1CN(Cc2ccc(C)cc2O)C1 ZINC000877580147 590364783 /nfs/dbraw/zinc/36/47/83/590364783.db2.gz FRIJXLNUCHJCFI-UHFFFAOYSA-N 0 3 248.326 1.269 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c([O-])c1 ZINC000877653344 590385367 /nfs/dbraw/zinc/38/53/67/590385367.db2.gz HSBLRYUNBKLUGG-XYPYZODXSA-N 0 3 234.299 1.054 20 10 BDCDHN C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccccc1[O-] ZINC000879651318 590843462 /nfs/dbraw/zinc/84/34/62/590843462.db2.gz RCVVZUFPHCBRKU-QWRGUYRKSA-N 0 3 249.310 1.996 20 10 BDCDHN [NH3+][C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000128319961 590979149 /nfs/dbraw/zinc/97/91/49/590979149.db2.gz JMLWGGLIQUVZGU-MRVPVSSYSA-N 0 3 226.707 1.579 20 10 BDCDHN CCN(C)c1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880418544 591028182 /nfs/dbraw/zinc/02/81/82/591028182.db2.gz CBBWEHPFQATLOC-UKRRQHHQSA-N 0 3 246.354 1.709 20 10 BDCDHN CC(C)[N@@H+](Cc1ccccc1[O-])C[C@H](C)O ZINC000128552771 591119839 /nfs/dbraw/zinc/11/98/39/591119839.db2.gz BBALSPDLIZQGGQ-NSHDSACASA-N 0 3 223.316 1.983 20 10 BDCDHN CC(C)[N@H+](Cc1ccccc1[O-])C[C@H](C)O ZINC000128552771 591119843 /nfs/dbraw/zinc/11/98/43/591119843.db2.gz BBALSPDLIZQGGQ-NSHDSACASA-N 0 3 223.316 1.983 20 10 BDCDHN COc1cc(Cl)cc(CN(C)CC[NH3+])c1[O-] ZINC000132388650 591705491 /nfs/dbraw/zinc/70/54/91/591705491.db2.gz NHYSYPKRCPDPOB-UHFFFAOYSA-N 0 3 244.722 1.445 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](N(C)C)C2)c1 ZINC000134165020 591898505 /nfs/dbraw/zinc/89/85/05/591898505.db2.gz XIRBOCTXSSEDML-ZDUSSCGKSA-N 0 3 234.343 1.837 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](N(C)C)C2)c1 ZINC000134165020 591898509 /nfs/dbraw/zinc/89/85/09/591898509.db2.gz XIRBOCTXSSEDML-ZDUSSCGKSA-N 0 3 234.343 1.837 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000135559984 592018019 /nfs/dbraw/zinc/01/80/19/592018019.db2.gz NTAGSVITIXLRQH-LBPRGKRZSA-N 0 3 233.267 1.808 20 10 BDCDHN CCOCC[N@H+](C)Cc1ccccc1[O-] ZINC000096868852 635540479 /nfs/dbraw/zinc/54/04/79/635540479.db2.gz WHSJLUCAZYEMSX-UHFFFAOYSA-N 0 3 209.289 1.861 20 10 BDCDHN CCOCC[N@@H+](C)Cc1ccccc1[O-] ZINC000096868852 635540489 /nfs/dbraw/zinc/54/04/89/635540489.db2.gz WHSJLUCAZYEMSX-UHFFFAOYSA-N 0 3 209.289 1.861 20 10 BDCDHN Cc1ccc([C@@H](C)N[C@@H]2CNOC2)c(O)c1C ZINC000925861515 635556126 /nfs/dbraw/zinc/55/61/26/635556126.db2.gz DCHJCSIXERGAJR-GHMZBOCLSA-N 0 3 236.315 1.563 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000236513959 635600571 /nfs/dbraw/zinc/60/05/71/635600571.db2.gz SQMNFJDJQVRQGV-LBPRGKRZSA-N 0 3 225.263 1.392 20 10 BDCDHN CCN(C)c1ccc(CN2CC[C@@H]2CO)cc1 ZINC000934013195 631592842 /nfs/dbraw/zinc/59/28/42/631592842.db2.gz GFOZJSOVUIJEJE-CQSZACIVSA-N 0 3 234.343 1.709 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)C1CC1 ZINC000309580578 632543906 /nfs/dbraw/zinc/54/39/06/632543906.db2.gz QFZIMLMKUJXIER-NSHDSACASA-N 0 3 225.263 1.392 20 10 BDCDHN CC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000162198110 632546585 /nfs/dbraw/zinc/54/65/85/632546585.db2.gz LYTVOLGQKZRPPR-NXEZZACHSA-N 0 3 209.289 1.814 20 10 BDCDHN CC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000162197852 632548403 /nfs/dbraw/zinc/54/84/03/632548403.db2.gz LYTVOLGQKZRPPR-VHSXEESVSA-N 0 3 209.289 1.814 20 10 BDCDHN Cn1cncc1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000291587344 632651409 /nfs/dbraw/zinc/65/14/09/632651409.db2.gz PMYMWIVSAHDLLQ-UHFFFAOYSA-N 0 3 235.262 1.555 20 10 BDCDHN C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163988446 633068188 /nfs/dbraw/zinc/06/81/88/633068188.db2.gz JRLIEGIHMNPHAY-BDAKNGLRSA-N 0 3 222.288 1.307 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000309517090 633184088 /nfs/dbraw/zinc/18/40/88/633184088.db2.gz AGIRNMABKNTSKJ-ZYHUDNBSSA-N 0 3 225.263 1.534 20 10 BDCDHN O=C1CC[C@@H](C[NH2+][C@H]2CCc3cccc([O-])c32)N1 ZINC000311059541 634209188 /nfs/dbraw/zinc/20/91/88/634209188.db2.gz JWOQQGTUYSUDIX-QWRGUYRKSA-N 0 3 246.310 1.248 20 10 BDCDHN COc1ccc(O)c([C@H](C)NCC[N+](=O)[O-])c1 ZINC000930217687 639638483 /nfs/dbraw/zinc/63/84/83/639638483.db2.gz ZDDAEWXPEBKUFJ-QMMMGPOBSA-N 0 3 240.259 1.328 20 10 BDCDHN C[C@H](O)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000164460941 640484364 /nfs/dbraw/zinc/48/43/64/640484364.db2.gz HSAHIEWZJYYFIA-UWVGGRQHSA-N 0 3 209.289 1.641 20 10 BDCDHN Cc1ccc(C[NH2+]C(C)(C)CO)c([O-])c1 ZINC000083345894 640519474 /nfs/dbraw/zinc/51/94/74/640519474.db2.gz DMWNHBBDXVOHEO-UHFFFAOYSA-N 0 3 209.289 1.561 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCn1cccn1 ZINC000226585929 640778215 /nfs/dbraw/zinc/77/82/15/640778215.db2.gz JNRRMBXIFPAQIS-UHFFFAOYSA-N 0 3 235.262 1.518 20 10 BDCDHN COC(=O)/C=C(\C)C[N@H+](C)Cc1ccccc1[O-] ZINC000929969858 642034645 /nfs/dbraw/zinc/03/46/45/642034645.db2.gz FEEILKSVDCICMG-DHZHZOJOSA-N 0 3 249.310 1.943 20 10 BDCDHN COC(=O)/C=C(\C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000929969858 642034650 /nfs/dbraw/zinc/03/46/50/642034650.db2.gz FEEILKSVDCICMG-DHZHZOJOSA-N 0 3 249.310 1.943 20 10 BDCDHN C[C@@H]([NH2+]CC1(CO)CC1)c1ccccc1[O-] ZINC000154741879 642214527 /nfs/dbraw/zinc/21/45/27/642214527.db2.gz QATNFOVSOLLTIC-SNVBAGLBSA-N 0 3 221.300 1.815 20 10 BDCDHN C[C@H]([NH2+]CC1(CO)CC1)c1ccccc1[O-] ZINC000154741771 642214725 /nfs/dbraw/zinc/21/47/25/642214725.db2.gz QATNFOVSOLLTIC-JTQLQIEISA-N 0 3 221.300 1.815 20 10 BDCDHN C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccccc1[O-] ZINC000179558828 642725469 /nfs/dbraw/zinc/72/54/69/642725469.db2.gz ZVZBHXFMJJFVTC-PWSUYJOCSA-N 0 3 248.326 1.478 20 10 BDCDHN C[C@@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccccc1[O-] ZINC000179558828 642725472 /nfs/dbraw/zinc/72/54/72/642725472.db2.gz ZVZBHXFMJJFVTC-PWSUYJOCSA-N 0 3 248.326 1.478 20 10 BDCDHN C[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[O-] ZINC000083368873 643441066 /nfs/dbraw/zinc/44/10/66/643441066.db2.gz AESBLMFNBKDVMY-VIFPVBQESA-N 0 3 240.734 1.839 20 10 BDCDHN C[N@@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000735688507 643553129 /nfs/dbraw/zinc/55/31/29/643553129.db2.gz XBIIOIHGBROAEY-QMMMGPOBSA-N 0 3 240.328 1.135 20 10 BDCDHN C[N@H+]1CC[C@@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000735688507 643553134 /nfs/dbraw/zinc/55/31/34/643553134.db2.gz XBIIOIHGBROAEY-QMMMGPOBSA-N 0 3 240.328 1.135 20 10 BDCDHN CN1CC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000735688507 643553140 /nfs/dbraw/zinc/55/31/40/643553140.db2.gz XBIIOIHGBROAEY-QMMMGPOBSA-N 0 3 240.328 1.135 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000050394507 643694544 /nfs/dbraw/zinc/69/45/44/643694544.db2.gz DCFJVIQDGRVSHP-GXSJLCMTSA-N 0 3 234.299 1.321 20 10 BDCDHN CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000050394197 643695788 /nfs/dbraw/zinc/69/57/88/643695788.db2.gz QGFJNIYGQRQOOX-NWDGAFQWSA-N 0 3 248.326 1.712 20 10 BDCDHN C[C@H](O)C[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000848928620 645443720 /nfs/dbraw/zinc/44/37/20/645443720.db2.gz JCEWOWOPMLVSLJ-JTQLQIEISA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@H](O)C[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000848928620 645443726 /nfs/dbraw/zinc/44/37/26/645443726.db2.gz JCEWOWOPMLVSLJ-JTQLQIEISA-N 0 3 221.300 1.737 20 10 BDCDHN CO[C@](C)(CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000702532462 712055032 /nfs/dbraw/zinc/05/50/32/712055032.db2.gz QXQMJQBWPIKBLQ-LBPRGKRZSA-N 0 3 243.278 1.018 20 10 BDCDHN CN1CC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000712554863 712445447 /nfs/dbraw/zinc/44/54/47/712445447.db2.gz DGBMPTOLTCHSKK-NSHDSACASA-N 0 3 224.279 1.325 20 10 BDCDHN C[C@@H]([NH2+]C/C=C/CO)c1ccccc1[O-] ZINC000717533040 712660709 /nfs/dbraw/zinc/66/07/09/712660709.db2.gz MAJPWVZJDWTZEC-ORAHPGNNSA-N 0 3 207.273 1.591 20 10 BDCDHN CN(Cc1c([O-])cccc1Cl)C1CC([NH3+])C1 ZINC000384866977 710998800 /nfs/dbraw/zinc/99/88/00/710998800.db2.gz OAGHPEIJUOKUFK-UHFFFAOYSA-N 0 3 240.734 1.967 20 10 BDCDHN C[C@@](O)(C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000390366977 711113873 /nfs/dbraw/zinc/11/38/73/711113873.db2.gz UMWBUQDXAOESSG-CYBMUJFWSA-N 0 3 221.300 1.643 20 10 BDCDHN C[C@](O)(C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000390366979 711114244 /nfs/dbraw/zinc/11/42/44/711114244.db2.gz UMWBUQDXAOESSG-ZDUSSCGKSA-N 0 3 221.300 1.643 20 10 BDCDHN C[C@@H]([NH2+]CCN1CCC1)c1ccccc1[O-] ZINC000381483359 710644983 /nfs/dbraw/zinc/64/49/83/710644983.db2.gz UGKVAOJCNBJPQP-LLVKDONJSA-N 0 3 220.316 1.749 20 10 BDCDHN COc1ccc(CNCc2conc2C)c(O)c1 ZINC000397909153 711396226 /nfs/dbraw/zinc/39/62/26/711396226.db2.gz YEXBMPJYZYMLOC-UHFFFAOYSA-N 0 3 248.282 1.987 20 10 BDCDHN COC(=O)[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000280224409 711661270 /nfs/dbraw/zinc/66/12/70/711661270.db2.gz JJOJBSOLKFNQQY-ZYHUDNBSSA-N 0 3 249.310 1.633 20 10 BDCDHN COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1C ZINC000280224409 711661271 /nfs/dbraw/zinc/66/12/71/711661271.db2.gz JJOJBSOLKFNQQY-ZYHUDNBSSA-N 0 3 249.310 1.633 20 10 BDCDHN CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1[O-] ZINC000378804939 712362346 /nfs/dbraw/zinc/36/23/46/712362346.db2.gz WJKTZJGHHNNSDC-DMDPSCGWSA-N 0 3 221.300 1.956 20 10 BDCDHN CC[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000379212074 712371846 /nfs/dbraw/zinc/37/18/46/712371846.db2.gz FJHDJWYREYHCFS-ZWNOBZJWSA-N 0 3 249.358 1.667 20 10 BDCDHN C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccccc1[O-] ZINC000036782452 712494797 /nfs/dbraw/zinc/49/47/97/712494797.db2.gz RMBBXNQVBVOLGT-SECBINFHSA-N 0 3 234.299 1.321 20 10 BDCDHN C[C@H](NCc1ccc2c(c1)CCO2)C(=O)N(C)C ZINC000037363096 712575032 /nfs/dbraw/zinc/57/50/32/712575032.db2.gz XYRUUYSMDJWXPI-JTQLQIEISA-N 0 3 248.326 1.188 20 10 BDCDHN Oc1cccc2c1CN(Cc1cnc[nH]1)CC2 ZINC001136871806 972288057 /nfs/dbraw/zinc/28/80/57/972288057.db2.gz KFTLYMULRUBZPS-UHFFFAOYSA-N 0 3 229.283 1.674 20 10 BDCDHN Cc1ccc(CN2CC(N(C)C)C2)c(O)c1 ZINC001140947821 960745972 /nfs/dbraw/zinc/74/59/72/960745972.db2.gz HBSOYEIJKMXSEM-UHFFFAOYSA-N 0 3 220.316 1.446 20 10 BDCDHN CN(Cc1cc(O)ccc1O)[C@H]1CCOC1 ZINC001141159808 960895288 /nfs/dbraw/zinc/89/52/88/960895288.db2.gz KZBLFDJLOSNNJQ-JTQLQIEISA-N 0 3 223.272 1.319 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H]1CCN(C)C1 ZINC000710529723 962406299 /nfs/dbraw/zinc/40/62/99/962406299.db2.gz CGHPCSGEWDQLKY-CYBMUJFWSA-N 0 3 234.343 1.918 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCN(C)C1 ZINC000710529723 962406304 /nfs/dbraw/zinc/40/63/04/962406304.db2.gz CGHPCSGEWDQLKY-CYBMUJFWSA-N 0 3 234.343 1.918 20 10 BDCDHN CC[C@H](NCc1ccc2c(c1)CCO2)C(=O)NC ZINC000697847688 964566076 /nfs/dbraw/zinc/56/60/76/964566076.db2.gz BJKMAAUEQVJZQA-LBPRGKRZSA-N 0 3 248.326 1.236 20 10 BDCDHN CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203560633 966690169 /nfs/dbraw/zinc/69/01/69/966690169.db2.gz DUXIQCDTPYSOIO-CYBMUJFWSA-N 0 3 248.326 1.445 20 10 BDCDHN CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203560633 966690176 /nfs/dbraw/zinc/69/01/76/966690176.db2.gz DUXIQCDTPYSOIO-CYBMUJFWSA-N 0 3 248.326 1.445 20 10 BDCDHN C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1[O-] ZINC001203555645 966691379 /nfs/dbraw/zinc/69/13/79/966691379.db2.gz BAJYOUNHMYYOHO-PWSUYJOCSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@@H]1C[C@@H](O)CC[N@H+]1Cc1ccccc1[O-] ZINC001203555645 966691382 /nfs/dbraw/zinc/69/13/82/966691382.db2.gz BAJYOUNHMYYOHO-PWSUYJOCSA-N 0 3 221.300 1.737 20 10 BDCDHN COc1ccc(O)c(CN2CCN3CC[C@H]3C2)c1 ZINC001203683706 966737065 /nfs/dbraw/zinc/73/70/65/966737065.db2.gz AXGHUWPASWRGPL-LBPRGKRZSA-N 0 3 248.326 1.291 20 10 BDCDHN CCN(Cc1ccc(N(C)C)cc1)C1CN(C)C1 ZINC001203937603 966824009 /nfs/dbraw/zinc/82/40/09/966824009.db2.gz ZHTLNNJXFAEFJJ-UHFFFAOYSA-N 0 3 247.386 1.889 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC2(COC2)CC1 ZINC001204272857 966953112 /nfs/dbraw/zinc/95/31/12/966953112.db2.gz UDWRPSWJYUIGBY-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN CO[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276580 966957341 /nfs/dbraw/zinc/95/73/41/966957341.db2.gz NOLNMMFBRQUWCT-NSHDSACASA-N 0 3 223.272 1.319 20 10 BDCDHN CO[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276580 966957350 /nfs/dbraw/zinc/95/73/50/966957350.db2.gz NOLNMMFBRQUWCT-NSHDSACASA-N 0 3 223.272 1.319 20 10 BDCDHN C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279226 966957613 /nfs/dbraw/zinc/95/76/13/966957613.db2.gz SZCLOXURQFZWOZ-BXKDBHETSA-N 0 3 237.299 1.443 20 10 BDCDHN C[C@@H]1C[C@H](O)CC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279226 966957623 /nfs/dbraw/zinc/95/76/23/966957623.db2.gz SZCLOXURQFZWOZ-BXKDBHETSA-N 0 3 237.299 1.443 20 10 BDCDHN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279227 966959969 /nfs/dbraw/zinc/95/99/69/966959969.db2.gz SZCLOXURQFZWOZ-CABZTGNLSA-N 0 3 237.299 1.443 20 10 BDCDHN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279227 966959976 /nfs/dbraw/zinc/95/99/76/966959976.db2.gz SZCLOXURQFZWOZ-CABZTGNLSA-N 0 3 237.299 1.443 20 10 BDCDHN CC(C)[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001253764873 969386177 /nfs/dbraw/zinc/38/61/77/969386177.db2.gz JEDLSFBXTXEEJN-AWEZNQCLSA-N 0 3 235.327 1.767 20 10 BDCDHN CC(C)[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001253764873 969386179 /nfs/dbraw/zinc/38/61/79/969386179.db2.gz JEDLSFBXTXEEJN-AWEZNQCLSA-N 0 3 235.327 1.767 20 10 BDCDHN Oc1cc(O)c(CN2CCC[C@H](F)C2)c(O)c1 ZINC001144509202 972857087 /nfs/dbraw/zinc/85/70/87/972857087.db2.gz OVAASZCFSWBFPT-QMMMGPOBSA-N 0 3 241.262 1.737 20 10 BDCDHN C[C@H](C(=O)NCc1ccccc1O)N1CCCC1 ZINC001180584936 978918128 /nfs/dbraw/zinc/91/81/28/978918128.db2.gz MPGXGQCJBNJIBB-LLVKDONJSA-N 0 3 248.326 1.493 20 10 BDCDHN Nc1ccc(CNC(=O)[C@@H](N)C2CCC2)cc1 ZINC001342019512 979623152 /nfs/dbraw/zinc/62/31/52/979623152.db2.gz DUHYBRQGADYSEA-LBPRGKRZSA-N 0 3 233.315 1.012 20 10 BDCDHN CCc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001236782305 979734419 /nfs/dbraw/zinc/73/44/19/979734419.db2.gz AINQOFRJFQZMMX-MFKMUULPSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC001236782305 979734433 /nfs/dbraw/zinc/73/44/33/979734433.db2.gz AINQOFRJFQZMMX-MFKMUULPSA-N 0 3 235.327 1.910 20 10 BDCDHN CO[C@H](C)C1C[NH+](Cc2ccccc2[O-])C1 ZINC001203560900 979770629 /nfs/dbraw/zinc/77/06/29/979770629.db2.gz KBUJIUCGZBRQTA-SNVBAGLBSA-N 0 3 221.300 1.859 20 10 BDCDHN CN(Cc1ccccc1O)Cc1c[nH]ccc1=O ZINC001237849557 980097879 /nfs/dbraw/zinc/09/78/79/980097879.db2.gz VMVDNNOVWIBWBW-UHFFFAOYSA-N 0 3 244.294 1.713 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000717401338 984194494 /nfs/dbraw/zinc/19/44/94/984194494.db2.gz SXMVNWQZCPLIOR-JTQLQIEISA-N 0 3 249.232 1.795 20 10 BDCDHN CO[C@H](C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC001474677777 987797875 /nfs/dbraw/zinc/79/78/75/987797875.db2.gz WCWWKJBFZZUKMV-SECBINFHSA-N 0 3 207.273 1.743 20 10 BDCDHN CO[C@H](C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC001474677777 987797878 /nfs/dbraw/zinc/79/78/78/987797878.db2.gz WCWWKJBFZZUKMV-SECBINFHSA-N 0 3 207.273 1.743 20 10 BDCDHN CC[N@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249174165 989265755 /nfs/dbraw/zinc/26/57/55/989265755.db2.gz ZMVBXYFYGIPQJF-UHFFFAOYSA-N 0 3 237.299 1.559 20 10 BDCDHN CC[N@@H+](C)Cc1ccc(CC(=O)OC)cc1[O-] ZINC001249174165 989265766 /nfs/dbraw/zinc/26/57/66/989265766.db2.gz ZMVBXYFYGIPQJF-UHFFFAOYSA-N 0 3 237.299 1.559 20 10 BDCDHN CCN(C)C(=O)[C@H](C)NCc1ccc(N)cc1 ZINC001120371808 989647814 /nfs/dbraw/zinc/64/78/14/989647814.db2.gz RCSJKRMMKFDDSO-JTQLQIEISA-N 0 3 235.331 1.225 20 10 BDCDHN COc1cc(C)c(C[N@H+](C)C[C@@H](C)O)c([O-])c1 ZINC001308783785 991130397 /nfs/dbraw/zinc/13/03/97/991130397.db2.gz AGNGFQOEHCLIFN-SNVBAGLBSA-N 0 3 239.315 1.522 20 10 BDCDHN COc1cc(C)c(C[N@@H+](C)C[C@@H](C)O)c([O-])c1 ZINC001308783785 991130403 /nfs/dbraw/zinc/13/04/03/991130403.db2.gz AGNGFQOEHCLIFN-SNVBAGLBSA-N 0 3 239.315 1.522 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)N1 ZINC001202897647 991151961 /nfs/dbraw/zinc/15/19/61/991151961.db2.gz BBFMPOXKERQKJC-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)N1 ZINC001202897647 991151973 /nfs/dbraw/zinc/15/19/73/991151973.db2.gz BBFMPOXKERQKJC-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN CC(C)c1ccc(O)c(CNC2(C(N)=O)CC2)c1 ZINC001560740954 991581733 /nfs/dbraw/zinc/58/17/33/991581733.db2.gz HZUXDKJRRBFLJD-UHFFFAOYSA-N 0 3 248.326 1.623 20 10 BDCDHN CC(C)[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])ON ZINC001575433237 993044341 /nfs/dbraw/zinc/04/43/41/993044341.db2.gz MJFRTALIISZTKW-GFCCVEGCSA-N 0 3 242.294 1.536 20 10 BDCDHN C[C@@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297575990 398208894 /nfs/dbraw/zinc/20/88/94/398208894.db2.gz GVUVOWXNRPCUOL-ONGXEEELSA-N 0 3 221.300 1.740 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1C ZINC000367598887 178197833 /nfs/dbraw/zinc/19/78/33/178197833.db2.gz AMYXASKRSZSCJV-ZSOGYDGISA-N 0 3 247.338 1.991 20 10 BDCDHN CCOc1cccc(C[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000294794484 398263854 /nfs/dbraw/zinc/26/38/54/398263854.db2.gz HVRJRLIYNBUUSV-PHIMTYICSA-N 0 3 237.299 1.404 20 10 BDCDHN Cn1cc(CC[N@H+](C)Cc2ccccc2[O-])cn1 ZINC000077284319 344815182 /nfs/dbraw/zinc/81/51/82/344815182.db2.gz CUMQLTLRFWWDLX-UHFFFAOYSA-N 0 3 245.326 1.800 20 10 BDCDHN Cn1cc(CC[N@@H+](C)Cc2ccccc2[O-])cn1 ZINC000077284319 344815184 /nfs/dbraw/zinc/81/51/84/344815184.db2.gz CUMQLTLRFWWDLX-UHFFFAOYSA-N 0 3 245.326 1.800 20 10 BDCDHN CC[C@@H](O)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000131722807 345305803 /nfs/dbraw/zinc/30/58/03/345305803.db2.gz ZLQWZRKNXMUUNK-GFCCVEGCSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1[O-] ZINC000368052819 179093724 /nfs/dbraw/zinc/09/37/24/179093724.db2.gz ZERPFFYKJDBYGP-XYYAHUGASA-N 0 3 233.311 1.683 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H](O)C2CC2)c1[O-] ZINC000165163716 179094246 /nfs/dbraw/zinc/09/42/46/179094246.db2.gz ZWWSCTOCUUOECT-LBPRGKRZSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCCOCC2)c1[O-] ZINC000162814046 350438455 /nfs/dbraw/zinc/43/84/55/350438455.db2.gz PADKMHUERLMYDJ-UHFFFAOYSA-N 0 3 221.300 1.923 20 10 BDCDHN Cc1cccc(C[N@H+]2CCCOCC2)c1[O-] ZINC000162814046 350438460 /nfs/dbraw/zinc/43/84/60/350438460.db2.gz PADKMHUERLMYDJ-UHFFFAOYSA-N 0 3 221.300 1.923 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCOC2)c1 ZINC000070955252 188130536 /nfs/dbraw/zinc/13/05/36/188130536.db2.gz QHRVJIXAJCZALB-LLVKDONJSA-N 0 3 221.300 1.827 20 10 BDCDHN NC(=O)C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000368132270 181242909 /nfs/dbraw/zinc/24/29/09/181242909.db2.gz FHXWATJLWSGQID-JTQLQIEISA-N 0 3 234.299 1.090 20 10 BDCDHN NC(=O)C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368132270 181242911 /nfs/dbraw/zinc/24/29/11/181242911.db2.gz FHXWATJLWSGQID-JTQLQIEISA-N 0 3 234.299 1.090 20 10 BDCDHN CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1[O-] ZINC000295842222 364780839 /nfs/dbraw/zinc/78/08/39/364780839.db2.gz DJZFXHSQTYEGAY-NQBHXWOUSA-N 0 3 237.299 1.193 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000295089038 183126380 /nfs/dbraw/zinc/12/63/80/183126380.db2.gz RJOMDZSPYLBNOP-PWSUYJOCSA-N 0 3 221.300 1.643 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372360484 183274846 /nfs/dbraw/zinc/27/48/46/183274846.db2.gz WXZXLBDSPNJPIS-GFCCVEGCSA-N 0 3 237.274 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372360484 183274848 /nfs/dbraw/zinc/27/48/48/183274848.db2.gz WXZXLBDSPNJPIS-GFCCVEGCSA-N 0 3 237.274 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCOCC1 ZINC000226585435 183275199 /nfs/dbraw/zinc/27/51/99/183275199.db2.gz SFDZOACWMGJKIR-UHFFFAOYSA-N 0 3 225.263 1.800 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CC2(C1)CCOC2 ZINC000294231375 183302006 /nfs/dbraw/zinc/30/20/06/183302006.db2.gz ZKQOBNXHNYFEFJ-UHFFFAOYSA-N 0 3 219.284 1.615 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1CCOCC1 ZINC000082367493 183302464 /nfs/dbraw/zinc/30/24/64/183302464.db2.gz KOUIHYZWRCZTJH-UHFFFAOYSA-N 0 3 221.300 1.908 20 10 BDCDHN Oc1ccccc1CN1CCO[C@@]2(CCOC2)C1 ZINC000187543069 183302578 /nfs/dbraw/zinc/30/25/78/183302578.db2.gz YUSXZZGWNDBWLN-AWEZNQCLSA-N 0 3 249.310 1.384 20 10 BDCDHN c1cc(CN[C@@H]2CCCOC2)cc2c1OCC2 ZINC000103962854 183368187 /nfs/dbraw/zinc/36/81/87/183368187.db2.gz VRHFLUHSHDXODY-CYBMUJFWSA-N 0 3 233.311 1.890 20 10 BDCDHN c1cn(CCNCc2ccc3c(c2)CCO3)cn1 ZINC000041066156 384178840 /nfs/dbraw/zinc/17/88/40/384178840.db2.gz BGHABWHHVWTGSZ-UHFFFAOYSA-N 0 3 243.310 1.608 20 10 BDCDHN CC[N@H+](CCOC)Cc1ccccc1[O-] ZINC000132695250 384200168 /nfs/dbraw/zinc/20/01/68/384200168.db2.gz WKOYOLMWJBFYNN-UHFFFAOYSA-N 0 3 209.289 1.861 20 10 BDCDHN CC[N@@H+](CCOC)Cc1ccccc1[O-] ZINC000132695250 384200172 /nfs/dbraw/zinc/20/01/72/384200172.db2.gz WKOYOLMWJBFYNN-UHFFFAOYSA-N 0 3 209.289 1.861 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134245912 384342493 /nfs/dbraw/zinc/34/24/93/384342493.db2.gz VFKZRPZJNYHXJG-PWSUYJOCSA-N 0 3 221.300 1.968 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CO)c([O-])c1 ZINC000035602320 384413121 /nfs/dbraw/zinc/41/31/21/384413121.db2.gz VXJYERNHSDQEKW-UWVGGRQHSA-N 0 3 209.289 1.732 20 10 BDCDHN C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000272919353 384621622 /nfs/dbraw/zinc/62/16/22/384621622.db2.gz XULWYGVCQKNPKI-UWVGGRQHSA-N 0 3 234.299 1.274 20 10 BDCDHN CC[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000020195333 384591992 /nfs/dbraw/zinc/59/19/92/384591992.db2.gz MBOKSNBRCAFLER-VHSXEESVSA-N 0 3 239.315 1.822 20 10 BDCDHN C[C@@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000082992614 384734476 /nfs/dbraw/zinc/73/44/76/384734476.db2.gz QNIYSYGPAIQBHS-NXEZZACHSA-N 0 3 209.289 1.814 20 10 BDCDHN CS[C@H](CO)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000164278890 384956070 /nfs/dbraw/zinc/95/60/70/384956070.db2.gz NPWYYJMMHGATNN-JOYOIKCWSA-N 0 3 241.356 1.594 20 10 BDCDHN COC[C@@H](C)C[NH2+]Cc1ccccc1[O-] ZINC000045655967 385276533 /nfs/dbraw/zinc/27/65/33/385276533.db2.gz IFNALPYDBKWDBG-JTQLQIEISA-N 0 3 209.289 1.764 20 10 BDCDHN CCN(CC)c1ccc(CNC(=O)[C@@H](C)N)cc1 ZINC000178712078 385414456 /nfs/dbraw/zinc/41/44/56/385414456.db2.gz SKIKPTIAJPBJAW-LLVKDONJSA-N 0 3 249.358 1.496 20 10 BDCDHN C[C@H](NC1CC1)C(=O)NCc1ccccc1O ZINC000295220491 385500029 /nfs/dbraw/zinc/50/00/29/385500029.db2.gz QYYNVFBZKYXLHY-VIFPVBQESA-N 0 3 234.299 1.149 20 10 BDCDHN CC[N@H+](CCCO)Cc1cccc(C)c1[O-] ZINC000271868755 385856623 /nfs/dbraw/zinc/85/66/23/385856623.db2.gz RSKSQYQYCUTWLU-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CC[N@@H+](CCCO)Cc1cccc(C)c1[O-] ZINC000271868755 385856625 /nfs/dbraw/zinc/85/66/25/385856625.db2.gz RSKSQYQYCUTWLU-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN C[C@@H]1[C@H](C)NCCN1C(=O)Cc1ccc(N)cc1 ZINC000262804364 385888158 /nfs/dbraw/zinc/88/81/58/385888158.db2.gz PVBNRNAVUQPWHH-WDEREUQCSA-N 0 3 247.342 1.020 20 10 BDCDHN CC[C@@H](CO)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000294666759 385881071 /nfs/dbraw/zinc/88/10/71/385881071.db2.gz AGKDHZDCNUULQL-NSHDSACASA-N 0 3 239.315 1.604 20 10 BDCDHN CC[C@@H](CO)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000294666759 385881075 /nfs/dbraw/zinc/88/10/75/385881075.db2.gz AGKDHZDCNUULQL-NSHDSACASA-N 0 3 239.315 1.604 20 10 BDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297441337 386256058 /nfs/dbraw/zinc/25/60/58/386256058.db2.gz WEQDVSWZTPHSTD-GVXVVHGQSA-N 0 3 249.310 1.383 20 10 BDCDHN C[C@@H](CO)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000289470442 386310477 /nfs/dbraw/zinc/31/04/77/386310477.db2.gz PKNGRPWMAQGKCM-JTQLQIEISA-N 0 3 240.322 1.704 20 10 BDCDHN CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000290816592 386478977 /nfs/dbraw/zinc/47/89/77/386478977.db2.gz GMONDXUOBZMMFA-JQWIXIFHSA-N 0 3 241.262 1.035 20 10 BDCDHN COC[C@H](C[NH2+]Cc1cc(F)ccc1[O-])OC ZINC000227717470 386507117 /nfs/dbraw/zinc/50/71/17/386507117.db2.gz OGHCDTPEXWNBGQ-NSHDSACASA-N 0 3 243.278 1.282 20 10 BDCDHN COC[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000228808795 386621229 /nfs/dbraw/zinc/62/12/29/386621229.db2.gz ZYXUZJVKMBQSIH-WDEREUQCSA-N 0 3 239.315 1.704 20 10 BDCDHN CC[C@H](CO)[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000295072621 386690810 /nfs/dbraw/zinc/69/08/10/386690810.db2.gz HMQQSVVNLLFLGT-LLVKDONJSA-N 0 3 239.315 1.604 20 10 BDCDHN CC[C@H](CO)[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000295072621 386690821 /nfs/dbraw/zinc/69/08/21/386690821.db2.gz HMQQSVVNLLFLGT-LLVKDONJSA-N 0 3 239.315 1.604 20 10 BDCDHN COC[C@H]1CC[N@@H+]1Cc1ccccc1[O-] ZINC000293729658 386869424 /nfs/dbraw/zinc/86/94/24/386869424.db2.gz URZOQRPYFPHVGE-LLVKDONJSA-N 0 3 207.273 1.613 20 10 BDCDHN COC[C@H]1CC[N@H+]1Cc1ccccc1[O-] ZINC000293729658 386869428 /nfs/dbraw/zinc/86/94/28/386869428.db2.gz URZOQRPYFPHVGE-LLVKDONJSA-N 0 3 207.273 1.613 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000372353267 387293656 /nfs/dbraw/zinc/29/36/56/387293656.db2.gz DKBWLDZPMAMPDY-ZDUSSCGKSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000372353267 387293660 /nfs/dbraw/zinc/29/36/60/387293660.db2.gz DKBWLDZPMAMPDY-ZDUSSCGKSA-N 0 3 233.311 1.657 20 10 BDCDHN CC[C@H](c1ccccc1[O-])[N@@H+]1CCNC(=O)CC1 ZINC000377545398 387726449 /nfs/dbraw/zinc/72/64/49/387726449.db2.gz XWISUKGCKDRVKQ-GFCCVEGCSA-N 0 3 248.326 1.665 20 10 BDCDHN CC[C@H](c1ccccc1[O-])[N@H+]1CCNC(=O)CC1 ZINC000377545398 387726453 /nfs/dbraw/zinc/72/64/53/387726453.db2.gz XWISUKGCKDRVKQ-GFCCVEGCSA-N 0 3 248.326 1.665 20 10 BDCDHN Cc1cc(C)c([C@@H](C)[NH2+]CCO)c([O-])c1 ZINC000293916139 388392808 /nfs/dbraw/zinc/39/28/08/388392808.db2.gz XDVKWMQMQOXIMD-SNVBAGLBSA-N 0 3 209.289 1.652 20 10 BDCDHN CC[C@H]([NH2+]CCn1cncn1)c1ccccc1[O-] ZINC000271703513 389024260 /nfs/dbraw/zinc/02/42/60/389024260.db2.gz NBWAGIIITRNUKP-LBPRGKRZSA-N 0 3 246.314 1.725 20 10 BDCDHN CC1(C[NH2+]Cc2ccccc2[O-])COC1 ZINC000082694290 168043634 /nfs/dbraw/zinc/04/36/34/168043634.db2.gz FRYNKBKZICXMCW-UHFFFAOYSA-N 0 3 207.273 1.518 20 10 BDCDHN CC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)OCCO1 ZINC000296660742 168045380 /nfs/dbraw/zinc/04/53/80/168045380.db2.gz FDQVOYXBEWMOHE-LLVKDONJSA-N 0 3 249.310 1.732 20 10 BDCDHN CCNC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000111236061 170050086 /nfs/dbraw/zinc/05/00/86/170050086.db2.gz PSKAMICMTXNMHK-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN CCNC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000111236061 170050087 /nfs/dbraw/zinc/05/00/87/170050087.db2.gz PSKAMICMTXNMHK-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000036795287 170089063 /nfs/dbraw/zinc/08/90/63/170089063.db2.gz XTLQJXHIAIUBPV-NXEZZACHSA-N 0 3 236.315 1.567 20 10 BDCDHN CCOC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000084857715 170205202 /nfs/dbraw/zinc/20/52/02/170205202.db2.gz IQQXESOAOLTAIN-UHFFFAOYSA-N 0 3 237.299 1.777 20 10 BDCDHN CCOC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000084857715 170205203 /nfs/dbraw/zinc/20/52/03/170205203.db2.gz IQQXESOAOLTAIN-UHFFFAOYSA-N 0 3 237.299 1.777 20 10 BDCDHN CC[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226619118 171169737 /nfs/dbraw/zinc/16/97/37/171169737.db2.gz PLQSBDDYTAHZHJ-LBPRGKRZSA-N 0 3 227.279 1.782 20 10 BDCDHN CN1CC[C@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000272698310 173161210 /nfs/dbraw/zinc/16/12/10/173161210.db2.gz YGCJJBYKJFOWPC-GXTWGEPZSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000272698310 173161213 /nfs/dbraw/zinc/16/12/13/173161213.db2.gz YGCJJBYKJFOWPC-GXTWGEPZSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1C[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)CC1=O ZINC000297509513 173196196 /nfs/dbraw/zinc/19/61/96/173196196.db2.gz CLBFIDQYEITBBP-MNOVXSKESA-N 0 3 246.310 1.200 20 10 BDCDHN CNCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000193131282 173330985 /nfs/dbraw/zinc/33/09/85/173330985.db2.gz GTTXVXLZEVPMAL-UHFFFAOYSA-N 0 3 248.326 1.107 20 10 BDCDHN COCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000081705329 174384727 /nfs/dbraw/zinc/38/47/27/174384727.db2.gz WBQHAOYEZGOLLC-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000164786862 175157079 /nfs/dbraw/zinc/15/70/79/175157079.db2.gz OIIXVYCBIAWZGX-SECBINFHSA-N 0 3 239.315 1.650 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000191696029 175159557 /nfs/dbraw/zinc/15/95/57/175159557.db2.gz PXTOBBFHUTZBGK-UWVGGRQHSA-N 0 3 239.315 1.914 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCN(C)C)c1 ZINC000022141538 175160021 /nfs/dbraw/zinc/16/00/21/175160021.db2.gz OKQWPOYVZWLUOK-JTQLQIEISA-N 0 3 238.331 1.613 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CO)c1 ZINC000035602997 175160098 /nfs/dbraw/zinc/16/00/98/175160098.db2.gz DUYOAJLSKAHSLA-BDAKNGLRSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1cccc(C[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000227954023 175264084 /nfs/dbraw/zinc/26/40/84/175264084.db2.gz WLJGMXCAVOHHEB-SNVBAGLBSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1cccc(C[NH2+]C[C@H](C)OC)c1[O-] ZINC000191201245 175264201 /nfs/dbraw/zinc/26/42/01/175264201.db2.gz AHTLKBZOCFERLP-VIFPVBQESA-N 0 3 225.288 1.525 20 10 BDCDHN C[C@H](O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000134735154 177015557 /nfs/dbraw/zinc/01/55/57/177015557.db2.gz AKKCRFDCTQIEJJ-QWRGUYRKSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H](O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000134735154 177015559 /nfs/dbraw/zinc/01/55/59/177015559.db2.gz AKKCRFDCTQIEJJ-QWRGUYRKSA-N 0 3 221.300 1.595 20 10 BDCDHN C[NH2+]C[C@@H](C)NCc1cccc(F)c1[O-] ZINC000853248811 588728772 /nfs/dbraw/zinc/72/87/72/588728772.db2.gz KJLGMMHKAVTBTG-MRVPVSSYSA-N 0 3 212.268 1.229 20 10 BDCDHN CNC[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000853248811 588728773 /nfs/dbraw/zinc/72/87/73/588728773.db2.gz KJLGMMHKAVTBTG-MRVPVSSYSA-N 0 3 212.268 1.229 20 10 BDCDHN C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccccc1[O-] ZINC000854226687 588780690 /nfs/dbraw/zinc/78/06/90/588780690.db2.gz JWKPXEGQQAGDSS-CDWSIMAYSA-N 0 3 232.327 1.795 20 10 BDCDHN COc1ccc(C[NH2+]C(C)C)c([O-])c1OC ZINC000892501083 582898875 /nfs/dbraw/zinc/89/88/75/582898875.db2.gz FGDCZSBHRXDZEK-UHFFFAOYSA-N 0 3 225.288 1.907 20 10 BDCDHN COc1cccc(CN2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000783739752 582961655 /nfs/dbraw/zinc/96/16/55/582961655.db2.gz HTIFDQVGURGVGC-RISCZKNCSA-N 0 3 249.310 1.215 20 10 BDCDHN CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000895852228 583736835 /nfs/dbraw/zinc/73/68/35/583736835.db2.gz RUAOOHHROVOEAM-ZJUUUORDSA-N 0 3 237.299 1.994 20 10 BDCDHN COCC1CN(Cc2c(O)cccc2OC)C1 ZINC000895971961 583757066 /nfs/dbraw/zinc/75/70/66/583757066.db2.gz ZANGIXCWWKXFPX-UHFFFAOYSA-N 0 3 237.299 1.479 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2CCN2C)c([O-])c1 ZINC000896594793 583816575 /nfs/dbraw/zinc/81/65/75/583816575.db2.gz DAOGVPZQDGZFEE-GFCCVEGCSA-N 0 3 220.316 1.494 20 10 BDCDHN CC[N@H+](CCC(N)=O)Cc1ccc(C)cc1[O-] ZINC000896707560 583823464 /nfs/dbraw/zinc/82/34/64/583823464.db2.gz UZFMHUMVCLHUOV-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN CC[N@@H+](CCC(N)=O)Cc1ccc(C)cc1[O-] ZINC000896707560 583823466 /nfs/dbraw/zinc/82/34/66/583823466.db2.gz UZFMHUMVCLHUOV-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897851091 584054704 /nfs/dbraw/zinc/05/47/04/584054704.db2.gz OVRYEXGNFWXIRE-IMXVTNBVSA-N 0 3 249.310 1.404 20 10 BDCDHN CNCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841037265 584072671 /nfs/dbraw/zinc/07/26/71/584072671.db2.gz VIUJZQPFVUUKML-UHFFFAOYSA-N 0 3 214.696 1.355 20 10 BDCDHN C[NH2+]CCNCc1cccc(Cl)c1[O-] ZINC000841037265 584072670 /nfs/dbraw/zinc/07/26/70/584072670.db2.gz VIUJZQPFVUUKML-UHFFFAOYSA-N 0 3 214.696 1.355 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898203490 584090530 /nfs/dbraw/zinc/09/05/30/584090530.db2.gz VVEQWTVZBSUZNT-CQSZACIVSA-N 0 3 235.327 1.951 20 10 BDCDHN C[NH2+]CCCNCc1cc(Cl)cc(F)c1[O-] ZINC000841042009 584119545 /nfs/dbraw/zinc/11/95/45/584119545.db2.gz KRVTWBKNVQAQRR-UHFFFAOYSA-N 0 3 246.713 1.884 20 10 BDCDHN Cc1cc([O-])c(CN[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841045067 584122439 /nfs/dbraw/zinc/12/24/39/584122439.db2.gz NBFDBFHDSDZRFB-SECBINFHSA-N 0 3 240.734 1.806 20 10 BDCDHN CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000858495008 588960740 /nfs/dbraw/zinc/96/07/40/588960740.db2.gz RBUYHCYPMCUARF-CKYFFXLPSA-N 0 3 248.326 1.697 20 10 BDCDHN C[C@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[O-] ZINC000902478521 584603778 /nfs/dbraw/zinc/60/37/78/584603778.db2.gz YEGRXDCRTNPZJX-JULQROHOSA-N 0 3 232.327 1.936 20 10 BDCDHN Cc1cc(O)c(CN2CC[C@@H]2CO)cc1C ZINC000902629463 584646380 /nfs/dbraw/zinc/64/63/80/584646380.db2.gz DRGJIBYZUYPCJL-GFCCVEGCSA-N 0 3 221.300 1.576 20 10 BDCDHN OC[C@H]1CCN1Cc1cc2c(cc1O)CCC2 ZINC000902630577 584647178 /nfs/dbraw/zinc/64/71/78/584647178.db2.gz PCFRLYJCHBJPJW-CYBMUJFWSA-N 0 3 233.311 1.448 20 10 BDCDHN OC[C@@H]1CCN1Cc1cc2c(cc1O)CCC2 ZINC000902630578 584647190 /nfs/dbraw/zinc/64/71/90/584647190.db2.gz PCFRLYJCHBJPJW-ZDUSSCGKSA-N 0 3 233.311 1.448 20 10 BDCDHN C[C@@H]1C[NH2+]C[C@H]1NCc1ccccc1[O-] ZINC000903960520 584828380 /nfs/dbraw/zinc/82/83/80/584828380.db2.gz NPHRYUXGRHYUFC-MWLCHTKSSA-N 0 3 206.289 1.090 20 10 BDCDHN Cc1cc(NCc2ccccc2O)nc(N)n1 ZINC000748308569 585190309 /nfs/dbraw/zinc/19/03/09/585190309.db2.gz SZGFNRGIXKLDTN-UHFFFAOYSA-N 0 3 230.271 1.685 20 10 BDCDHN COC(=O)/C(C)=C/CN(C)Cc1ccccc1O ZINC000748815556 585196784 /nfs/dbraw/zinc/19/67/84/585196784.db2.gz BDOCVLHGXSKWEU-DHZHZOJOSA-N 0 3 249.310 1.943 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1CC(O)C1 ZINC000761222155 585412286 /nfs/dbraw/zinc/41/22/86/585412286.db2.gz IKNUFLCLDABHBS-UHFFFAOYSA-N 0 3 225.263 1.486 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1CC(O)C1 ZINC000761222155 585412287 /nfs/dbraw/zinc/41/22/87/585412287.db2.gz IKNUFLCLDABHBS-UHFFFAOYSA-N 0 3 225.263 1.486 20 10 BDCDHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1[NH3+] ZINC000300049416 585501233 /nfs/dbraw/zinc/50/12/33/585501233.db2.gz ROEUHOPQVGYQPW-LDYMZIIASA-N 0 3 240.734 1.825 20 10 BDCDHN Cc1cccc(C[NH2+][C@H](CO)CC2CC2)c1[O-] ZINC000776251983 585693941 /nfs/dbraw/zinc/69/39/41/585693941.db2.gz GUMOENMZPYXTFE-ZDUSSCGKSA-N 0 3 235.327 1.951 20 10 BDCDHN CCOc1ccc(C[NH2+]C[C@H](C)OC)c([O-])c1 ZINC000785560254 585875414 /nfs/dbraw/zinc/87/54/14/585875414.db2.gz QBEGPQFHXFJUIE-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000801733377 586270112 /nfs/dbraw/zinc/27/01/12/586270112.db2.gz DRIXKLDRVRFCPG-GFCCVEGCSA-N 0 3 248.326 1.539 20 10 BDCDHN C[C@@H](O)[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000808425215 586472306 /nfs/dbraw/zinc/47/23/06/586472306.db2.gz QRBFPLJEVZLJFJ-VHSXEESVSA-N 0 3 240.322 1.751 20 10 BDCDHN C[NH2+]CCCN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817940460 586845464 /nfs/dbraw/zinc/84/54/64/586845464.db2.gz MTAXKBGKAVSHKL-QMMMGPOBSA-N 0 3 244.285 1.931 20 10 BDCDHN C[C@@H](NC1C[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817955871 586850101 /nfs/dbraw/zinc/85/01/01/586850101.db2.gz JXJUSBWVJHJGQG-SSDOTTSWSA-N 0 3 210.252 1.154 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC(C)(C)CO ZINC000824630188 587280269 /nfs/dbraw/zinc/28/02/69/587280269.db2.gz KMZMKOXYXBQKSB-UHFFFAOYSA-N 0 3 241.306 1.982 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC(C)(C)CO ZINC000824630188 587280270 /nfs/dbraw/zinc/28/02/70/587280270.db2.gz KMZMKOXYXBQKSB-UHFFFAOYSA-N 0 3 241.306 1.982 20 10 BDCDHN COCCC1C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC000826899278 587364872 /nfs/dbraw/zinc/36/48/72/587364872.db2.gz IQCUZZHKOOCWTB-UHFFFAOYSA-N 0 3 239.290 2.000 20 10 BDCDHN C[NH+](C)CCCCNC(=O)c1cc([O-])cs1 ZINC000827516015 587385762 /nfs/dbraw/zinc/38/57/62/587385762.db2.gz SOMUKEAEOGWKRD-UHFFFAOYSA-N 0 3 242.344 1.525 20 10 BDCDHN CN(CCC[NH+](C)C)C(=O)c1cc([O-])cs1 ZINC000831706260 587628352 /nfs/dbraw/zinc/62/83/52/587628352.db2.gz CRFWZMUNDCWUMJ-UHFFFAOYSA-N 0 3 242.344 1.477 20 10 BDCDHN CN(C)c1ccc(/C=C/CN(C)CCO)cc1 ZINC000835025730 587778986 /nfs/dbraw/zinc/77/89/86/587778986.db2.gz MBASIFUYBRFAGL-SNAWJCMRSA-N 0 3 234.343 1.690 20 10 BDCDHN CC(C)(N)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841031575 587936710 /nfs/dbraw/zinc/93/67/10/587936710.db2.gz WTQMKZMUJNGGEU-UHFFFAOYSA-N 0 3 228.723 1.873 20 10 BDCDHN NC[C@@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000841028765 587936796 /nfs/dbraw/zinc/93/67/96/587936796.db2.gz REWWOTUJCLFAAY-LLVKDONJSA-N 0 3 206.289 1.219 20 10 BDCDHN CC[NH2+]CCNCc1cc(F)ccc1[O-] ZINC000841037172 587937733 /nfs/dbraw/zinc/93/77/33/587937733.db2.gz POWJGLDYGRYQAB-UHFFFAOYSA-N 0 3 212.268 1.230 20 10 BDCDHN C[NH2+]CCNCc1c([O-])cccc1Cl ZINC000841036092 587937750 /nfs/dbraw/zinc/93/77/50/587937750.db2.gz OKOVFDYVXNJIFG-UHFFFAOYSA-N 0 3 214.696 1.355 20 10 BDCDHN [O-]c1ccccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055665 588077790 /nfs/dbraw/zinc/07/77/90/588077790.db2.gz MWANMJPRPMBPIP-CYBMUJFWSA-N 0 3 232.327 1.719 20 10 BDCDHN CCn1nncc1CN[C@@H](C)c1ccccc1O ZINC000845990990 588252947 /nfs/dbraw/zinc/25/29/47/588252947.db2.gz SOKKUBYXECOXNG-JTQLQIEISA-N 0 3 246.314 1.854 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CCO)c1 ZINC000846110146 588256872 /nfs/dbraw/zinc/25/68/72/588256872.db2.gz HUPXQCVMBYXLTM-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)[C@@H](C)CCO)c1 ZINC000846110146 588256873 /nfs/dbraw/zinc/25/68/73/588256873.db2.gz HUPXQCVMBYXLTM-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846112717 588257325 /nfs/dbraw/zinc/25/73/25/588257325.db2.gz WXJIXOCLGKJAJL-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[N@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846112717 588257326 /nfs/dbraw/zinc/25/73/26/588257326.db2.gz WXJIXOCLGKJAJL-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]CCN(C)C)c1[O-] ZINC000846174788 588259253 /nfs/dbraw/zinc/25/92/53/588259253.db2.gz YXYYVWRGRHSSDE-SNVBAGLBSA-N 0 3 238.331 1.613 20 10 BDCDHN CCc1cccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000848916963 588420843 /nfs/dbraw/zinc/42/08/43/588420843.db2.gz CCEVALFMWWONAE-XBXGTLAGSA-N 0 3 235.327 1.958 20 10 BDCDHN [NH2+]=C(NCc1ccccc1[O-])NC1CCC1 ZINC000848984832 588425269 /nfs/dbraw/zinc/42/52/69/588425269.db2.gz IIKJQNYKSOCNGX-UHFFFAOYSA-N 0 3 219.288 1.559 20 10 BDCDHN Cc1ccc([C@@H](C)N[C@H]2CCNC2=O)c(O)c1C ZINC000850481857 588551808 /nfs/dbraw/zinc/55/18/08/588551808.db2.gz NROCVAUNVMGIEM-PWSUYJOCSA-N 0 3 248.326 1.548 20 10 BDCDHN COC(=O)C1=CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000862465886 589215857 /nfs/dbraw/zinc/21/58/57/589215857.db2.gz WAGNAUNBVDAOPZ-LBPRGKRZSA-N 0 3 247.294 1.744 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529645 589218422 /nfs/dbraw/zinc/21/84/22/589218422.db2.gz XQZDASYSVFULQJ-DZGCQCFKSA-N 0 3 247.338 1.987 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000862529645 589218424 /nfs/dbraw/zinc/21/84/24/589218424.db2.gz XQZDASYSVFULQJ-DZGCQCFKSA-N 0 3 247.338 1.987 20 10 BDCDHN COc1cccc(C[NH2+]C2(CO)CC2)c1[O-] ZINC000120397234 589409508 /nfs/dbraw/zinc/40/95/08/589409508.db2.gz NMYBHPCCWZIFLA-UHFFFAOYSA-N 0 3 223.272 1.015 20 10 BDCDHN CC[S@](=O)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000123703548 589772296 /nfs/dbraw/zinc/77/22/96/589772296.db2.gz HICRLCFOIMHBJN-MRXNPFEDSA-N 0 3 241.356 1.559 20 10 BDCDHN COCC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000020085589 590072241 /nfs/dbraw/zinc/07/22/41/590072241.db2.gz YARDXGAUZIHGPV-JTQLQIEISA-N 0 3 209.289 1.998 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC2CC2)c1 ZINC000020086321 590073399 /nfs/dbraw/zinc/07/33/99/590073399.db2.gz DBLRYXKRVMYRQK-UHFFFAOYSA-N 0 3 207.273 1.900 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2CCCN(C)C2)c1[O-] ZINC000124729843 590079813 /nfs/dbraw/zinc/07/98/13/590079813.db2.gz LDXJVRHRIIJWEL-ZDUSSCGKSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000876511312 590205730 /nfs/dbraw/zinc/20/57/30/590205730.db2.gz DRDIPKPRSFGEAH-LBPRGKRZSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c([O-])c1 ZINC000876511312 590205731 /nfs/dbraw/zinc/20/57/31/590205731.db2.gz DRDIPKPRSFGEAH-LBPRGKRZSA-N 0 3 248.326 1.398 20 10 BDCDHN CNC(=O)CC[N@H+](C)Cc1c(C)cccc1[O-] ZINC000876683747 590230356 /nfs/dbraw/zinc/23/03/56/590230356.db2.gz FXBNPZBXSRENCK-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN CNC(=O)CC[N@@H+](C)Cc1c(C)cccc1[O-] ZINC000876683747 590230358 /nfs/dbraw/zinc/23/03/58/590230358.db2.gz FXBNPZBXSRENCK-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN CO[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876745702 590236667 /nfs/dbraw/zinc/23/66/67/590236667.db2.gz KAHQHSDLIWFDMU-NSHDSACASA-N 0 3 221.300 1.921 20 10 BDCDHN CO[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876745702 590236669 /nfs/dbraw/zinc/23/66/69/590236669.db2.gz KAHQHSDLIWFDMU-NSHDSACASA-N 0 3 221.300 1.921 20 10 BDCDHN CC[C@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000876915671 590256647 /nfs/dbraw/zinc/25/66/47/590256647.db2.gz XKWAVBSTOSJRIX-ZDUSSCGKSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCOC2)c([O-])c1 ZINC000876930128 590258212 /nfs/dbraw/zinc/25/82/12/590258212.db2.gz LVUHOSLKDNYDNH-NSHDSACASA-N 0 3 221.300 1.827 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCOC1 ZINC000876929292 590258402 /nfs/dbraw/zinc/25/84/02/590258402.db2.gz HIXRPUXJAAYDNI-LLVKDONJSA-N 0 3 221.300 1.827 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)Cn2cncn2)c([O-])c1 ZINC000876977024 590264108 /nfs/dbraw/zinc/26/41/08/590264108.db2.gz QZBGCORMUDPOCV-LLVKDONJSA-N 0 3 246.314 1.470 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCN(C)C2)c([O-])c1 ZINC000877019458 590269982 /nfs/dbraw/zinc/26/99/82/590269982.db2.gz MQGXBXRWLOEXRE-LBPRGKRZSA-N 0 3 220.316 1.494 20 10 BDCDHN COC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877028018 590271442 /nfs/dbraw/zinc/27/14/42/590271442.db2.gz UXQXPCZKDGKHNR-CYBMUJFWSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](C)CCO ZINC000877067471 590276639 /nfs/dbraw/zinc/27/66/39/590276639.db2.gz IEBWARNXZFDFQH-JTQLQIEISA-N 0 3 223.316 1.809 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)CC(N)=O)c([O-])c1 ZINC000877095217 590281927 /nfs/dbraw/zinc/28/19/27/590281927.db2.gz PTJQIJIKDYGSPS-SECBINFHSA-N 0 3 222.288 1.054 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)CCCO)c([O-])c1 ZINC000877109893 590287010 /nfs/dbraw/zinc/28/70/10/590287010.db2.gz TWGKRTUKRKNLIV-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN COC[C@H](C[NH2+]Cc1ccc(C)cc1[O-])OC ZINC000877188636 590298924 /nfs/dbraw/zinc/29/89/24/590298924.db2.gz DBRNTNRTBHYXBO-LBPRGKRZSA-N 0 3 239.315 1.452 20 10 BDCDHN C[C@@H](NC(=O)[C@@H]1CCCCN1)c1ccccc1O ZINC000877255859 590304227 /nfs/dbraw/zinc/30/42/27/590304227.db2.gz IQADWPAXNVLLBC-PWSUYJOCSA-N 0 3 248.326 1.712 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000877430386 590325546 /nfs/dbraw/zinc/32/55/46/590325546.db2.gz HHFMRSIEBWHOAI-STQMWFEESA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC000877464000 590332177 /nfs/dbraw/zinc/33/21/77/590332177.db2.gz IETOMNYOXFVPCQ-DGCLKSJQSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H]2CO)c([O-])c1 ZINC000877464000 590332178 /nfs/dbraw/zinc/33/21/78/590332178.db2.gz IETOMNYOXFVPCQ-DGCLKSJQSA-N 0 3 235.327 1.903 20 10 BDCDHN COC[C@H]1CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877550145 590353967 /nfs/dbraw/zinc/35/39/67/590353967.db2.gz MQZGNNDDODYNTD-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@H]1CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877550145 590353969 /nfs/dbraw/zinc/35/39/69/590353969.db2.gz MQZGNNDDODYNTD-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN CCCN(CC(N)=O)Cc1c(C)cccc1O ZINC000877547894 590354200 /nfs/dbraw/zinc/35/42/00/590354200.db2.gz NTNNVRQOUZNSBN-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877573636 590363254 /nfs/dbraw/zinc/36/32/54/590363254.db2.gz SWNYFNRLBRKRSB-SNVBAGLBSA-N 0 3 236.315 1.315 20 10 BDCDHN CC(=O)N[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877594987 590369789 /nfs/dbraw/zinc/36/97/89/590369789.db2.gz PADZZHIBWSENRI-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877594987 590369792 /nfs/dbraw/zinc/36/97/92/590369792.db2.gz PADZZHIBWSENRI-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000877640596 590381406 /nfs/dbraw/zinc/38/14/06/590381406.db2.gz AOEFLXAKRLDVDT-MGCOHNPYSA-N 0 3 207.273 1.314 20 10 BDCDHN CCOc1ccc(CNC2(C)COC2)c(O)c1 ZINC000877691187 590393236 /nfs/dbraw/zinc/39/32/36/590393236.db2.gz KPCGMLIKBVVTND-UHFFFAOYSA-N 0 3 237.299 1.669 20 10 BDCDHN [NH3+]C[C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000128320433 590978748 /nfs/dbraw/zinc/97/87/48/590978748.db2.gz SIHJNYDOUYHRCI-VIFPVBQESA-N 0 3 240.734 1.826 20 10 BDCDHN C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccccc1[O-] ZINC000135719972 592033365 /nfs/dbraw/zinc/03/33/65/592033365.db2.gz WCPIKXDCRZCTAF-LLVKDONJSA-N 0 3 248.326 1.665 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCC[C@H]1CO ZINC000226612798 635436839 /nfs/dbraw/zinc/43/68/39/635436839.db2.gz AKMUVHKAUISVBJ-CABZTGNLSA-N 0 3 239.290 1.782 20 10 BDCDHN CC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000162197758 632546683 /nfs/dbraw/zinc/54/66/83/632546683.db2.gz LYTVOLGQKZRPPR-UWVGGRQHSA-N 0 3 209.289 1.814 20 10 BDCDHN COc1ccc(C[NH2+]C2CSC2)c([O-])c1 ZINC000309074665 632634992 /nfs/dbraw/zinc/63/49/92/632634992.db2.gz IWXMYHOAKOQHPZ-UHFFFAOYSA-N 0 3 225.313 1.606 20 10 BDCDHN Cc1ccc([C@@H](C)N[C@H]2CNOC2)c(O)c1 ZINC000925870312 635582534 /nfs/dbraw/zinc/58/25/34/635582534.db2.gz VXHUSCCRAOVAFK-ZJUUUORDSA-N 0 3 222.288 1.255 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](CO)CCF)c([O-])c1 ZINC000877614967 635749093 /nfs/dbraw/zinc/74/90/93/635749093.db2.gz PVJUTIOPHMPMFY-NSHDSACASA-N 0 3 227.279 1.511 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCn1ccnc1 ZINC000041050913 636957594 /nfs/dbraw/zinc/95/75/94/636957594.db2.gz IWNILFHPEHJARA-UHFFFAOYSA-N 0 3 217.272 1.379 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C1COCCOC1)CC2 ZINC000311140331 640421657 /nfs/dbraw/zinc/42/16/57/640421657.db2.gz GALHMSLMFUFHDS-LBPRGKRZSA-N 0 3 249.310 1.385 20 10 BDCDHN CNC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000044988445 640479880 /nfs/dbraw/zinc/47/98/80/640479880.db2.gz JVXRFAIYGQOQON-SECBINFHSA-N 0 3 222.288 1.179 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(O)CCC1 ZINC000226609263 640779084 /nfs/dbraw/zinc/77/90/84/640779084.db2.gz IBJNDUDSOVBKTK-UHFFFAOYSA-N 0 3 225.263 1.536 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1CO ZINC000249039815 644710074 /nfs/dbraw/zinc/71/00/74/644710074.db2.gz CYVDFJJFHIDGLN-CABZTGNLSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1CO ZINC000249039815 644710081 /nfs/dbraw/zinc/71/00/81/644710081.db2.gz CYVDFJJFHIDGLN-CABZTGNLSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(F)ccc1[O-] ZINC000094617860 644720458 /nfs/dbraw/zinc/72/04/58/644720458.db2.gz QZUUWIWSDVNAGL-KOLCDFICSA-N 0 3 238.306 1.886 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720907083 712876562 /nfs/dbraw/zinc/87/65/62/712876562.db2.gz IZZMTCXTFOXUJU-JGZJWPJOSA-N 0 3 207.273 1.253 20 10 BDCDHN CCN1C[C@H]([NH2+][C@@H](C)c2ccccc2[O-])CC1=O ZINC000391595245 711138264 /nfs/dbraw/zinc/13/82/64/711138264.db2.gz HINVPNHIUZEKSQ-WDEREUQCSA-N 0 3 248.326 1.664 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000398363912 711409987 /nfs/dbraw/zinc/40/99/87/711409987.db2.gz YXXMYUUUDVFAQI-UWVGGRQHSA-N 0 3 234.299 1.179 20 10 BDCDHN O=C1CC[C@H]([NH2+]Cc2ccccc2[O-])CCN1 ZINC000396649848 711363304 /nfs/dbraw/zinc/36/33/04/711363304.db2.gz JXCNWVSGSCFTME-NSHDSACASA-N 0 3 234.299 1.151 20 10 BDCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C ZINC000090721244 711503443 /nfs/dbraw/zinc/50/34/43/711503443.db2.gz ULPUYZMYDUJNPC-AAEUAGOBSA-N 0 3 234.343 1.965 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724984928 711640296 /nfs/dbraw/zinc/64/02/96/711640296.db2.gz DZPKBTVLZZCCAW-YDGIUTOCSA-N 0 3 237.274 1.534 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCOCCF)CC2 ZINC000705649285 712134166 /nfs/dbraw/zinc/13/41/66/712134166.db2.gz HDXGQGXUNJQWHV-NSHDSACASA-N 0 3 239.290 1.955 20 10 BDCDHN C[C@H](NCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037254253 712560674 /nfs/dbraw/zinc/56/06/74/712560674.db2.gz CFZQIFYCVROCGY-NSHDSACASA-N 0 3 249.358 1.491 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]C/C=C\CO)c([O-])c1 ZINC000717531292 712660563 /nfs/dbraw/zinc/66/05/63/712660563.db2.gz DPJUROGCWZQKRK-DLRQAJBASA-N 0 3 221.300 1.900 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)CC(F)F ZINC000717712905 712666785 /nfs/dbraw/zinc/66/67/85/712666785.db2.gz KQNCLTIOOHRVGU-VIFPVBQESA-N 0 3 249.232 1.637 20 10 BDCDHN C[C@H]1CCN1Cc1cc(O)c(O)cc1O ZINC001233483250 978613727 /nfs/dbraw/zinc/61/37/27/978613727.db2.gz SDPYOZYJAONYKK-ZETCQYMHSA-N 0 3 209.245 1.398 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC001238064743 980132470 /nfs/dbraw/zinc/13/24/70/980132470.db2.gz QGUAJOZTIJWCGU-CYBMUJFWSA-N 0 3 239.290 1.796 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC001238064743 980132473 /nfs/dbraw/zinc/13/24/73/980132473.db2.gz QGUAJOZTIJWCGU-CYBMUJFWSA-N 0 3 239.290 1.796 20 10 BDCDHN C[C@]1([NH3+])CCN(Cc2cc(F)ccc2[O-])C1 ZINC000405752078 971304439 /nfs/dbraw/zinc/30/44/39/971304439.db2.gz SDWPHJMDULRTSV-LBPRGKRZSA-N 0 3 224.279 1.454 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH+]1CC(C2COC2)C1 ZINC001140058062 957507920 /nfs/dbraw/zinc/50/79/20/957507920.db2.gz RMUDMVYLPRWWLV-UHFFFAOYSA-N 0 3 237.274 1.610 20 10 BDCDHN Cc1ccc(O)c(CN2CC3(CC(O)C3)C2)c1 ZINC001140617118 960461636 /nfs/dbraw/zinc/46/16/36/960461636.db2.gz FYFDDAILFAUXPE-UHFFFAOYSA-N 0 3 233.311 1.657 20 10 BDCDHN CC(=O)[C@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141159149 960895720 /nfs/dbraw/zinc/89/57/20/960895720.db2.gz AKWJOKRGTMQLMK-NSHDSACASA-N 0 3 249.310 1.899 20 10 BDCDHN CC(=O)[C@@H]1CCCN(Cc2cc(O)ccc2O)C1 ZINC001141159145 960897810 /nfs/dbraw/zinc/89/78/10/960897810.db2.gz AKWJOKRGTMQLMK-LLVKDONJSA-N 0 3 249.310 1.899 20 10 BDCDHN [NH3+][C@]12CC[C@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC001235978640 966189393 /nfs/dbraw/zinc/18/93/93/966189393.db2.gz JOKWESSICKZHHX-GWCFXTLKSA-N 0 3 236.290 1.454 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC001203550485 966679549 /nfs/dbraw/zinc/67/95/49/966679549.db2.gz VYJGEAUFQZLHCU-DGCLKSJQSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC001203550485 966679560 /nfs/dbraw/zinc/67/95/60/966679560.db2.gz VYJGEAUFQZLHCU-DGCLKSJQSA-N 0 3 235.327 1.985 20 10 BDCDHN COc1cccc(CN2CC[C@]23CCOC3)c1O ZINC001203601778 966700817 /nfs/dbraw/zinc/70/08/17/966700817.db2.gz KWASPQVBCFPABN-CQSZACIVSA-N 0 3 249.310 1.766 20 10 BDCDHN COC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1[O-] ZINC001203635064 966717407 /nfs/dbraw/zinc/71/74/07/966717407.db2.gz IPDJXWTZPJCONI-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN COC[C@@H]1CC[N@H+]1Cc1ccc(OC)cc1[O-] ZINC001203635064 966717413 /nfs/dbraw/zinc/71/74/13/966717413.db2.gz IPDJXWTZPJCONI-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN COC[C@@H]1CCN1Cc1ccc(OC)cc1O ZINC001203635064 966717422 /nfs/dbraw/zinc/71/74/22/966717422.db2.gz IPDJXWTZPJCONI-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc(O)c(CN2CC=CC2)c1 ZINC001203670705 966734505 /nfs/dbraw/zinc/73/45/05/966734505.db2.gz XJTNAGJEGFJMMZ-UHFFFAOYSA-N 0 3 205.257 1.773 20 10 BDCDHN COC[C@H]1CCCN1Cc1ccc(O)c(O)c1 ZINC001203875362 966805736 /nfs/dbraw/zinc/80/57/36/966805736.db2.gz MQQUJIMOQGOZRL-LLVKDONJSA-N 0 3 237.299 1.709 20 10 BDCDHN O=C1NCC[C@@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203549949 966925771 /nfs/dbraw/zinc/92/57/71/966925771.db2.gz DPHSGIMGIRKPFB-AWEZNQCLSA-N 0 3 246.310 1.104 20 10 BDCDHN O=C1NCC[C@@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203549949 966925780 /nfs/dbraw/zinc/92/57/80/966925780.db2.gz DPHSGIMGIRKPFB-AWEZNQCLSA-N 0 3 246.310 1.104 20 10 BDCDHN CN1CCC=C(c2ccn(C)c(=O)c2)C1 ZINC001241569002 969061295 /nfs/dbraw/zinc/06/12/95/969061295.db2.gz OXSCRSQTAUXCJK-UHFFFAOYSA-N 0 3 204.273 1.104 20 10 BDCDHN CN1CCC[C@H]([N@@H+]2CCc3cccc([O-])c3C2)C1 ZINC001255493616 970255907 /nfs/dbraw/zinc/25/59/07/970255907.db2.gz ZUSDHXNSMUDEFW-ZDUSSCGKSA-N 0 3 246.354 1.845 20 10 BDCDHN CN1CCC[C@H]([N@H+]2CCc3cccc([O-])c3C2)C1 ZINC001255493616 970255913 /nfs/dbraw/zinc/25/59/13/970255913.db2.gz ZUSDHXNSMUDEFW-ZDUSSCGKSA-N 0 3 246.354 1.845 20 10 BDCDHN CN1CCC([N@@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001256210970 970716962 /nfs/dbraw/zinc/71/69/62/970716962.db2.gz OZKIIDGVWRKDKP-UHFFFAOYSA-N 0 3 246.354 1.845 20 10 BDCDHN CN1CCC([N@H+]2CCc3cccc([O-])c3C2)CC1 ZINC001256210970 970716966 /nfs/dbraw/zinc/71/69/66/970716966.db2.gz OZKIIDGVWRKDKP-UHFFFAOYSA-N 0 3 246.354 1.845 20 10 BDCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@@H]1CNOC1 ZINC001332880543 975306720 /nfs/dbraw/zinc/30/67/20/975306720.db2.gz WWBASPXVIQSLDM-AXFHLTTASA-N 0 3 248.326 1.742 20 10 BDCDHN CN1CCC=C(N(CCO)c2ccc(N)cc2)C1 ZINC001175577162 977591684 /nfs/dbraw/zinc/59/16/84/977591684.db2.gz YILATOKDXNHXHH-UHFFFAOYSA-N 0 3 247.342 1.287 20 10 BDCDHN Cc1ccc(CN2CC[C@@H]3C[C@@]32C(N)=O)c(O)c1 ZINC001277569167 977754225 /nfs/dbraw/zinc/75/42/25/977754225.db2.gz WOAYPBINEQDXGM-RISCZKNCSA-N 0 3 246.310 1.150 20 10 BDCDHN CC1(C)CC(=O)NCC[N@@H+]1Cc1ccccc1[O-] ZINC001338272919 978650234 /nfs/dbraw/zinc/65/02/34/978650234.db2.gz AOWZOPKMCSWAJB-UHFFFAOYSA-N 0 3 248.326 1.493 20 10 BDCDHN CC1(C)CC(=O)NCC[N@H+]1Cc1ccccc1[O-] ZINC001338272919 978650238 /nfs/dbraw/zinc/65/02/38/978650238.db2.gz AOWZOPKMCSWAJB-UHFFFAOYSA-N 0 3 248.326 1.493 20 10 BDCDHN CCc1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001236783274 979729478 /nfs/dbraw/zinc/72/94/78/979729478.db2.gz JNCWKVJUBHNLRP-ZDUSSCGKSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC001236783274 979729491 /nfs/dbraw/zinc/72/94/91/979729491.db2.gz JNCWKVJUBHNLRP-ZDUSSCGKSA-N 0 3 235.327 1.911 20 10 BDCDHN COc1cccc(CN2CCN3CC[C@@H]3C2)c1O ZINC001203601977 980149551 /nfs/dbraw/zinc/14/95/51/980149551.db2.gz UOXDEECYYKUSHA-GFCCVEGCSA-N 0 3 248.326 1.291 20 10 BDCDHN Cc1ccc(O)c(CN2CCC[C@H]2C(N)=O)c1 ZINC000160359086 982573240 /nfs/dbraw/zinc/57/32/40/982573240.db2.gz JUXSJYXOVZOZJU-NSHDSACASA-N 0 3 234.299 1.150 20 10 BDCDHN [O-]c1c(O)cccc1C[NH2+][C@@H]1CCCOCC1 ZINC000383738046 993514431 /nfs/dbraw/zinc/51/44/31/993514431.db2.gz BVUCHIIBJAWJRV-LLVKDONJSA-N 0 3 237.299 1.757 20 10 BDCDHN C[C@H]([NH2+]Cc1ccnn1C)c1ccccc1[O-] ZINC000071333129 398147227 /nfs/dbraw/zinc/14/72/27/398147227.db2.gz CFYNLBOCSUFDAV-JTQLQIEISA-N 0 3 231.299 1.977 20 10 BDCDHN C[C@@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297575976 398208930 /nfs/dbraw/zinc/20/89/30/398208930.db2.gz GVUVOWXNRPCUOL-GXSJLCMTSA-N 0 3 221.300 1.740 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)[C@@H](C)CO)cc1C ZINC000289473938 178195703 /nfs/dbraw/zinc/19/57/03/178195703.db2.gz PUNBPTHWLOEYEX-NSHDSACASA-N 0 3 223.316 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)[C@@H](C)CO)cc1C ZINC000289473938 178195706 /nfs/dbraw/zinc/19/57/06/178195706.db2.gz PUNBPTHWLOEYEX-NSHDSACASA-N 0 3 223.316 1.822 20 10 BDCDHN CN(C)c1ccc(CN(C)CCO)cc1 ZINC000034076770 342878924 /nfs/dbraw/zinc/87/89/24/342878924.db2.gz PBOYVMOCTSNNAE-UHFFFAOYSA-N 0 3 208.305 1.177 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000235915524 179082727 /nfs/dbraw/zinc/08/27/27/179082727.db2.gz TWCNCBVSUOYZBE-AWEZNQCLSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1[O-] ZINC000235915524 179082729 /nfs/dbraw/zinc/08/27/29/179082729.db2.gz TWCNCBVSUOYZBE-AWEZNQCLSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[NH2+]CCC(C)(C)O)c1[O-] ZINC000274949492 179090099 /nfs/dbraw/zinc/09/00/99/179090099.db2.gz SAIURTZTSUUEIB-UHFFFAOYSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1cccc(CN[C@@H](C)C(=O)N(C)C)c1O ZINC000127873721 179096785 /nfs/dbraw/zinc/09/67/85/179096785.db2.gz UZZSSOUEFOARTO-JTQLQIEISA-N 0 3 236.315 1.267 20 10 BDCDHN CC(C)N(CC(N)=O)Cc1ccccc1O ZINC000132693700 191102964 /nfs/dbraw/zinc/10/29/64/191102964.db2.gz YOBKEXFFGUNUIE-UHFFFAOYSA-N 0 3 222.288 1.088 20 10 BDCDHN CCN(Cc1ccccc1O)[C@H]1CCNC1=O ZINC000281798983 351910003 /nfs/dbraw/zinc/91/00/03/351910003.db2.gz OSOSABQEXZYAEZ-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN C[C@@H]([NH2+]CCn1cncn1)c1ccccc1[O-] ZINC000271673421 188090120 /nfs/dbraw/zinc/09/01/20/188090120.db2.gz NUOLGEMXXZEFJD-SNVBAGLBSA-N 0 3 232.287 1.335 20 10 BDCDHN CC(=O)NCCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296143997 188096906 /nfs/dbraw/zinc/09/69/06/188096906.db2.gz WJNXUPUFHKIXHL-GFCCVEGCSA-N 0 3 248.326 1.495 20 10 BDCDHN C[C@@H]([NH2+]CCn1cccn1)c1ccccc1[O-] ZINC000042538726 188121128 /nfs/dbraw/zinc/12/11/28/188121128.db2.gz FHBIMASKKRAEEM-LLVKDONJSA-N 0 3 231.299 1.940 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000070954899 188130709 /nfs/dbraw/zinc/13/07/09/188130709.db2.gz QOWGNBSCLSWABO-GFCCVEGCSA-N 0 3 221.300 1.969 20 10 BDCDHN CC(C)(C)[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000294646261 188212465 /nfs/dbraw/zinc/21/24/65/188212465.db2.gz BLTXIAUFVXHBKH-SNVBAGLBSA-N 0 3 221.304 1.581 20 10 BDCDHN NC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179582754 181246282 /nfs/dbraw/zinc/24/62/82/181246282.db2.gz KPPBSRBTRZUHMY-LLVKDONJSA-N 0 3 248.326 1.480 20 10 BDCDHN NC(=O)C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179582754 181246283 /nfs/dbraw/zinc/24/62/83/181246283.db2.gz KPPBSRBTRZUHMY-LLVKDONJSA-N 0 3 248.326 1.480 20 10 BDCDHN [NH3+]C1CCN(Cc2cc(Cl)ccc2[O-])CC1 ZINC000020521450 181344591 /nfs/dbraw/zinc/34/45/91/181344591.db2.gz BLUADVYMBGQCLW-UHFFFAOYSA-N 0 3 240.734 1.969 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C1(CO)CCC1 ZINC000180907014 183038698 /nfs/dbraw/zinc/03/86/98/183038698.db2.gz AIMWKMSDEYFPKX-UHFFFAOYSA-N 0 3 225.263 1.536 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293913890 183274501 /nfs/dbraw/zinc/27/45/01/183274501.db2.gz GDWUSTCFANAFFI-LBPRGKRZSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000293913890 183274504 /nfs/dbraw/zinc/27/45/04/183274504.db2.gz GDWUSTCFANAFFI-LBPRGKRZSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCCn1ccnc1 ZINC000083380706 183275392 /nfs/dbraw/zinc/27/53/92/183275392.db2.gz XFQDVVNSLCCJLJ-UHFFFAOYSA-N 0 3 249.289 1.908 20 10 BDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@@H]1CCNC1=O ZINC000178206688 169179806 /nfs/dbraw/zinc/17/98/06/169179806.db2.gz SGYIFWYZKVLXTB-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@@H]1CCNC1=O ZINC000178206688 169179808 /nfs/dbraw/zinc/17/98/08/169179808.db2.gz SGYIFWYZKVLXTB-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN CC[C@@H]([NH2+]C[C@@H](C)O)c1ccccc1[O-] ZINC000035601760 383863790 /nfs/dbraw/zinc/86/37/90/383863790.db2.gz GLPQHFJETHNBNS-MWLCHTKSSA-N 0 3 209.289 1.814 20 10 BDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000070589894 384122430 /nfs/dbraw/zinc/12/24/30/384122430.db2.gz GCLLXKUDJSCVBT-VHSXEESVSA-N 0 3 225.288 1.050 20 10 BDCDHN CC[C@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000083345886 384295280 /nfs/dbraw/zinc/29/52/80/384295280.db2.gz UYJRLGQFXMVXBF-LLVKDONJSA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000134245952 384343492 /nfs/dbraw/zinc/34/34/92/384343492.db2.gz VFKZRPZJNYHXJG-JQWIXIFHSA-N 0 3 221.300 1.968 20 10 BDCDHN CCOc1cccc(C[NH2+][C@@H](C)CCO)c1[O-] ZINC000096811724 384480088 /nfs/dbraw/zinc/48/00/88/384480088.db2.gz FPXQKPIEXSCIQE-JTQLQIEISA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000272919350 384622652 /nfs/dbraw/zinc/62/26/52/384622652.db2.gz XULWYGVCQKNPKI-NXEZZACHSA-N 0 3 234.299 1.274 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](O)C(C)C)c1 ZINC000123905624 384595582 /nfs/dbraw/zinc/59/55/82/384595582.db2.gz AFVPJOOCPKZNFD-ZDUSSCGKSA-N 0 3 223.316 1.807 20 10 BDCDHN C[C@@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000083884421 384809191 /nfs/dbraw/zinc/80/91/91/384809191.db2.gz UHRBBODRIIHMSS-LLVKDONJSA-N 0 3 247.342 1.250 20 10 BDCDHN CCN(C)C(=O)CNCc1cccc(C)c1O ZINC000187676565 384970708 /nfs/dbraw/zinc/97/07/08/384970708.db2.gz CFHBCAYFMHLPTG-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN C[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111362 385074133 /nfs/dbraw/zinc/07/41/33/385074133.db2.gz CECSZDLHXUAKEF-HTQZYQBOSA-N 0 3 213.252 1.563 20 10 BDCDHN C[C@H]([NH2+]CCCO)c1cc(F)ccc1[O-] ZINC000087111337 385075725 /nfs/dbraw/zinc/07/57/25/385075725.db2.gz PFBZQRCQDKDGDM-QMMMGPOBSA-N 0 3 213.252 1.564 20 10 BDCDHN CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000188472271 385187576 /nfs/dbraw/zinc/18/75/76/385187576.db2.gz SYAAXHBLULUTTP-SNVBAGLBSA-N 0 3 236.315 1.349 20 10 BDCDHN C[C@@]1(O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000180244825 385515145 /nfs/dbraw/zinc/51/51/45/385515145.db2.gz IBJYIDPEGRFJFU-GFCCVEGCSA-N 0 3 207.273 1.349 20 10 BDCDHN C[C@@]1(O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000180244825 385515149 /nfs/dbraw/zinc/51/51/49/385515149.db2.gz IBJYIDPEGRFJFU-GFCCVEGCSA-N 0 3 207.273 1.349 20 10 BDCDHN C[C@]1(O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000180244807 385516331 /nfs/dbraw/zinc/51/63/31/385516331.db2.gz IBJYIDPEGRFJFU-LBPRGKRZSA-N 0 3 207.273 1.349 20 10 BDCDHN C[C@]1(O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000180244807 385516333 /nfs/dbraw/zinc/51/63/33/385516333.db2.gz IBJYIDPEGRFJFU-LBPRGKRZSA-N 0 3 207.273 1.349 20 10 BDCDHN C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000230392604 385734568 /nfs/dbraw/zinc/73/45/68/385734568.db2.gz ZPIWGRUCNZTYCG-ZKANADHPSA-N 0 3 245.319 1.388 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2cc(C)ccc2[O-])C[C@H]1O ZINC000271408762 385826157 /nfs/dbraw/zinc/82/61/57/385826157.db2.gz WZSGUNHIKIWNIY-SMDDNHRTSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2cc(C)ccc2[O-])C[C@H]1O ZINC000271408762 385826160 /nfs/dbraw/zinc/82/61/60/385826160.db2.gz WZSGUNHIKIWNIY-SMDDNHRTSA-N 0 3 235.327 1.903 20 10 BDCDHN C[C@@H]([NH2+]CCN(C)C)c1ccccc1[O-] ZINC000021962112 385888884 /nfs/dbraw/zinc/88/88/84/385888884.db2.gz OWDXXRPQJUHHRT-SNVBAGLBSA-N 0 3 208.305 1.604 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@@H]1O ZINC000272038305 385869318 /nfs/dbraw/zinc/86/93/18/385869318.db2.gz ZRIADYVQSWNTBG-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@@H]1O ZINC000272038305 385869324 /nfs/dbraw/zinc/86/93/24/385869324.db2.gz ZRIADYVQSWNTBG-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN C[C@]1(C(N)=O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000235747695 386187957 /nfs/dbraw/zinc/18/79/57/386187957.db2.gz KOOVJLXEHONQIN-ZDUSSCGKSA-N 0 3 234.299 1.090 20 10 BDCDHN C[C@]1(C(N)=O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000235747695 386187962 /nfs/dbraw/zinc/18/79/62/386187962.db2.gz KOOVJLXEHONQIN-ZDUSSCGKSA-N 0 3 234.299 1.090 20 10 BDCDHN C[C@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611410 386344939 /nfs/dbraw/zinc/34/49/39/386344939.db2.gz SEQZRDZYCLQGEL-BDAKNGLRSA-N 0 3 227.279 1.638 20 10 BDCDHN CC(C)[C@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226608798 386345775 /nfs/dbraw/zinc/34/57/75/386345775.db2.gz DYADZUVHGNEEOU-GFCCVEGCSA-N 0 3 227.279 1.638 20 10 BDCDHN CC[C@](C)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226619123 386347959 /nfs/dbraw/zinc/34/79/59/386347959.db2.gz PLQSBDDYTAHZHJ-GFCCVEGCSA-N 0 3 227.279 1.782 20 10 BDCDHN C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000227976218 386525226 /nfs/dbraw/zinc/52/52/26/386525226.db2.gz GVMJINDZUHHTOR-ZWNOBZJWSA-N 0 3 237.299 1.022 20 10 BDCDHN Cc1cnn(C)c1C[NH2+]Cc1ccccc1[O-] ZINC000285406286 387264715 /nfs/dbraw/zinc/26/47/15/387264715.db2.gz IQGLOFQSBJGFIU-UHFFFAOYSA-N 0 3 231.299 1.724 20 10 BDCDHN CCn1nncc1CNCc1ccccc1O ZINC000527725160 387676848 /nfs/dbraw/zinc/67/68/48/387676848.db2.gz DTYVJIYLMYQHHR-UHFFFAOYSA-N 0 3 232.287 1.293 20 10 BDCDHN CC[C@H](COC)[NH2+]Cc1cccc(OC)c1[O-] ZINC000079735379 387955991 /nfs/dbraw/zinc/95/59/91/387955991.db2.gz CVQYPTGWSQBTSH-LLVKDONJSA-N 0 3 239.315 1.915 20 10 BDCDHN CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1[O-] ZINC000295842218 388414532 /nfs/dbraw/zinc/41/45/32/388414532.db2.gz DJZFXHSQTYEGAY-DMDPSCGWSA-N 0 3 237.299 1.193 20 10 BDCDHN C[C@H](CCO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297529345 388429795 /nfs/dbraw/zinc/42/97/95/388429795.db2.gz DLRNSVXYGKQESH-PWSUYJOCSA-N 0 3 235.327 1.988 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000273612484 389042952 /nfs/dbraw/zinc/04/29/52/389042952.db2.gz WLQPPFWFXAPTTN-GHMZBOCLSA-N 0 3 248.326 1.582 20 10 BDCDHN CSC[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000164251366 397792504 /nfs/dbraw/zinc/79/25/04/397792504.db2.gz YFHDZERKQZBVSB-GFCCVEGCSA-N 0 3 241.356 1.596 20 10 BDCDHN CC[C@@](C)(O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000096478748 171184934 /nfs/dbraw/zinc/18/49/34/171184934.db2.gz DJPNKXXXJXTXBD-CYBMUJFWSA-N 0 3 239.315 1.651 20 10 BDCDHN CN1CC[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000378499296 173133981 /nfs/dbraw/zinc/13/39/81/173133981.db2.gz PPJOURGSIRUZTE-OCCSQVGLSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000378499296 173133982 /nfs/dbraw/zinc/13/39/82/173133982.db2.gz PPJOURGSIRUZTE-OCCSQVGLSA-N 0 3 246.354 1.918 20 10 BDCDHN CN(C)c1ccc(CN[C@H]2CC(=O)N(C)C2)cc1 ZINC000263780930 173186650 /nfs/dbraw/zinc/18/66/50/173186650.db2.gz VNBYKWOCJSYWBI-LBPRGKRZSA-N 0 3 247.342 1.073 20 10 BDCDHN COCCC[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000134044635 174218500 /nfs/dbraw/zinc/21/85/00/174218500.db2.gz FBWBECVGPOBUFL-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN COCCC[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000134044635 174218502 /nfs/dbraw/zinc/21/85/02/174218502.db2.gz FBWBECVGPOBUFL-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN COCCNCc1ccc(OC)c(C)c1 ZINC000035052512 174335842 /nfs/dbraw/zinc/33/58/42/174335842.db2.gz OPPOGWLZPKTKTF-UHFFFAOYSA-N 0 3 209.289 1.740 20 10 BDCDHN COCC[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000019881560 174339844 /nfs/dbraw/zinc/33/98/44/174339844.db2.gz BGZSZAZEECOFOQ-SECBINFHSA-N 0 3 225.288 1.698 20 10 BDCDHN COCCOCC[N@H+](C)Cc1ccccc1[O-] ZINC000079433199 174352773 /nfs/dbraw/zinc/35/27/73/174352773.db2.gz BHZNDRYRPGITEH-UHFFFAOYSA-N 0 3 239.315 1.487 20 10 BDCDHN COCCOCC[N@@H+](C)Cc1ccccc1[O-] ZINC000079433199 174352775 /nfs/dbraw/zinc/35/27/75/174352775.db2.gz BHZNDRYRPGITEH-UHFFFAOYSA-N 0 3 239.315 1.487 20 10 BDCDHN COc1ccc(O)c(CN2CC3(C2)CCOC3)c1 ZINC000293858982 175157061 /nfs/dbraw/zinc/15/70/61/175157061.db2.gz BXLMKLOEEPBPNW-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@H](C)O)c1 ZINC000130695219 175157830 /nfs/dbraw/zinc/15/78/30/175157830.db2.gz NTARVJUBXJIWQJ-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H](C)O)c1 ZINC000130695219 175157832 /nfs/dbraw/zinc/15/78/32/175157832.db2.gz NTARVJUBXJIWQJ-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)CCCCO)c1 ZINC000276727845 175158038 /nfs/dbraw/zinc/15/80/38/175158038.db2.gz XLSLGZNNTVPQFL-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)CCCCO)c1 ZINC000276727845 175158040 /nfs/dbraw/zinc/15/80/40/175158040.db2.gz XLSLGZNNTVPQFL-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN COc1ccc(O)c(CN2CCSCC2)c1 ZINC000179666099 175158104 /nfs/dbraw/zinc/15/81/04/175158104.db2.gz SBOQNTNMVWVRFX-UHFFFAOYSA-N 0 3 239.340 1.950 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000164726137 175158620 /nfs/dbraw/zinc/15/86/20/175158620.db2.gz WJEAKVSQMSCISL-NXEZZACHSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000085983760 175160931 /nfs/dbraw/zinc/16/09/31/175160931.db2.gz HXWSWCHZYGUJAC-UWVGGRQHSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc(C[N@H+](C)C2CC2)c1[O-] ZINC000153783838 175253511 /nfs/dbraw/zinc/25/35/11/175253511.db2.gz WVXRLUYWEUWAIE-UHFFFAOYSA-N 0 3 207.273 1.995 20 10 BDCDHN COc1cccc(C[N@@H+](C)C2CC2)c1[O-] ZINC000153783838 175253512 /nfs/dbraw/zinc/25/35/12/175253512.db2.gz WVXRLUYWEUWAIE-UHFFFAOYSA-N 0 3 207.273 1.995 20 10 BDCDHN COc1cccc(C[N@@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000180195007 175260470 /nfs/dbraw/zinc/26/04/70/175260470.db2.gz DFIZANLURKSGNK-CYBMUJFWSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[N@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000180195007 175260472 /nfs/dbraw/zinc/26/04/72/175260472.db2.gz DFIZANLURKSGNK-CYBMUJFWSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[NH2+][C@]2(C)CCOC2)c1[O-] ZINC000120242702 175267753 /nfs/dbraw/zinc/26/77/53/175267753.db2.gz ROOCMPHTNIZJDR-CYBMUJFWSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2CCO[C@H]2C)c1[O-] ZINC000134247293 175267862 /nfs/dbraw/zinc/26/78/62/175267862.db2.gz AAENLCDLRXBGHD-ONGXEEELSA-N 0 3 237.299 1.668 20 10 BDCDHN C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1[O-] ZINC000167431595 175880265 /nfs/dbraw/zinc/88/02/65/175880265.db2.gz NVBZARJTRSCYCU-SNVBAGLBSA-N 0 3 248.326 1.569 20 10 BDCDHN C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000193687294 177173733 /nfs/dbraw/zinc/17/37/33/177173733.db2.gz BUNGSUKQRXSLDE-JOYOIKCWSA-N 0 3 234.299 1.006 20 10 BDCDHN COc1cc(Cl)cc(C[NH2+]CCCO)c1[O-] ZINC000076274271 490318855 /nfs/dbraw/zinc/31/88/55/490318855.db2.gz GODLLUQOLUSNBY-UHFFFAOYSA-N 0 3 245.706 1.526 20 10 BDCDHN CO[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000300044331 582483409 /nfs/dbraw/zinc/48/34/09/582483409.db2.gz BJRIDLNRQGBHAX-LLVKDONJSA-N 0 3 207.273 1.613 20 10 BDCDHN CO[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000300044331 582483412 /nfs/dbraw/zinc/48/34/12/582483412.db2.gz BJRIDLNRQGBHAX-LLVKDONJSA-N 0 3 207.273 1.613 20 10 BDCDHN CN1CCCc2cc(CN[C@@H]3CCOC3)ccc21 ZINC000075186316 536396649 /nfs/dbraw/zinc/39/66/49/536396649.db2.gz WGLGTCASJKQVAR-CQSZACIVSA-N 0 3 246.354 1.948 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)C[S@@](C)=O)c([O-])c1 ZINC000877311335 583311846 /nfs/dbraw/zinc/31/18/46/583311846.db2.gz VUJHZZQRXFOGIF-MGPLVRAMSA-N 0 3 241.356 1.557 20 10 BDCDHN CC[C@H](CO)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000877556242 583328713 /nfs/dbraw/zinc/32/87/13/583328713.db2.gz NGAJAOCJGOMDPC-GFCCVEGCSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[C@H](CO)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000877556242 583328714 /nfs/dbraw/zinc/32/87/14/583328714.db2.gz NGAJAOCJGOMDPC-GFCCVEGCSA-N 0 3 223.316 1.903 20 10 BDCDHN C[NH2+]C[C@H](C)NCc1cc(F)ccc1[O-] ZINC000853248705 588727253 /nfs/dbraw/zinc/72/72/53/588727253.db2.gz IQOSBJIXJUPOCW-QMMMGPOBSA-N 0 3 212.268 1.229 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1CO ZINC000857061321 588884641 /nfs/dbraw/zinc/88/46/41/588884641.db2.gz OIGGLOUYIHGJDY-YPMHNXCESA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1CO ZINC000857061321 588884643 /nfs/dbraw/zinc/88/46/43/588884643.db2.gz OIGGLOUYIHGJDY-YPMHNXCESA-N 0 3 235.327 1.843 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H](O)C2CCC2)c([O-])c1 ZINC000877574833 583335691 /nfs/dbraw/zinc/33/56/91/583335691.db2.gz WWUDUOJTVLHDNG-CQSZACIVSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000814172968 583342906 /nfs/dbraw/zinc/34/29/06/583342906.db2.gz DSNRVZHRZRPGMR-JSGCOSHPSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000814172968 583342909 /nfs/dbraw/zinc/34/29/09/583342909.db2.gz DSNRVZHRZRPGMR-JSGCOSHPSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2COCO2)c1[O-] ZINC000894875709 583541410 /nfs/dbraw/zinc/54/14/10/583541410.db2.gz IPFSYRIROSFMLD-LLVKDONJSA-N 0 3 223.272 1.163 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC000788269451 583600144 /nfs/dbraw/zinc/60/01/44/583600144.db2.gz NRVMJFHJCGSIIE-MWLCHTKSSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC000788269451 583600146 /nfs/dbraw/zinc/60/01/46/583600146.db2.gz NRVMJFHJCGSIIE-MWLCHTKSSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1OC ZINC000895558958 583691269 /nfs/dbraw/zinc/69/12/69/583691269.db2.gz MOASIBAAAWOHQR-PHIMTYICSA-N 0 3 249.310 1.861 20 10 BDCDHN COc1ccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c([O-])c1OC ZINC000895558958 583691272 /nfs/dbraw/zinc/69/12/72/583691272.db2.gz MOASIBAAAWOHQR-PHIMTYICSA-N 0 3 249.310 1.861 20 10 BDCDHN CC[N@H+](CCC(N)=O)Cc1c(C)cccc1[O-] ZINC000896710273 583825468 /nfs/dbraw/zinc/82/54/68/583825468.db2.gz NCPLLWVSMUFSMP-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN CC[N@@H+](CCC(N)=O)Cc1c(C)cccc1[O-] ZINC000896710273 583825470 /nfs/dbraw/zinc/82/54/70/583825470.db2.gz NCPLLWVSMUFSMP-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN CCOC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000896961871 583864807 /nfs/dbraw/zinc/86/48/07/583864807.db2.gz GMBBMIWOSQGKDZ-LBPRGKRZSA-N 0 3 249.310 1.777 20 10 BDCDHN CCOC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000896961871 583864809 /nfs/dbraw/zinc/86/48/09/583864809.db2.gz GMBBMIWOSQGKDZ-LBPRGKRZSA-N 0 3 249.310 1.777 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897684685 584040519 /nfs/dbraw/zinc/04/05/19/584040519.db2.gz VDMZRTZDZTXBSP-SKDRFNHKSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897684685 584040521 /nfs/dbraw/zinc/04/05/21/584040521.db2.gz VDMZRTZDZTXBSP-SKDRFNHKSA-N 0 3 237.299 1.213 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c([O-])c1 ZINC000897810196 584050401 /nfs/dbraw/zinc/05/04/01/584050401.db2.gz MZJHCEHKGYLJSJ-MIBAYGRRSA-N 0 3 245.322 1.966 20 10 BDCDHN Cc1ccc(C[NH2+][C@@]2(C)CCNC2=O)c([O-])c1 ZINC000897866611 584055490 /nfs/dbraw/zinc/05/54/90/584055490.db2.gz DPWDTOPKVLFBKQ-ZDUSSCGKSA-N 0 3 234.299 1.069 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C1CC(CCO)C1 ZINC000898007994 584070717 /nfs/dbraw/zinc/07/07/17/584070717.db2.gz IVOKVBYTFYTOOP-UHFFFAOYSA-N 0 3 239.290 1.782 20 10 BDCDHN Cc1ccc(C[NH2+]C2CC(CCO)C2)c([O-])c1 ZINC000898015966 584074653 /nfs/dbraw/zinc/07/46/53/584074653.db2.gz WBVLLWCONHPOCH-UHFFFAOYSA-N 0 3 235.327 1.951 20 10 BDCDHN C[C@@H]([NH2+]CC1(N)CC1)c1ccc(F)cc1[O-] ZINC000902408158 584575114 /nfs/dbraw/zinc/57/51/14/584575114.db2.gz XHNRYSFAHYHBKH-MRVPVSSYSA-N 0 3 224.279 1.673 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCON)c1 ZINC000902425324 584593698 /nfs/dbraw/zinc/59/36/98/584593698.db2.gz LZKWNYNZSYNYBI-VIFPVBQESA-N 0 3 240.303 1.332 20 10 BDCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](C)N ZINC000841076374 584742771 /nfs/dbraw/zinc/74/27/71/584742771.db2.gz GPROOTBQXCIIBI-JGVFFNPUSA-N 0 3 212.268 1.357 20 10 BDCDHN COCC1(C)C[NH+](Cc2ccccc2[O-])C1 ZINC000839145061 585092125 /nfs/dbraw/zinc/09/21/25/585092125.db2.gz GRBBKVQMGCESKN-UHFFFAOYSA-N 0 3 221.300 1.861 20 10 BDCDHN CN(C)c1ccc(CN2CC(C(C)(C)O)C2)cc1 ZINC000839139521 585094432 /nfs/dbraw/zinc/09/44/32/585094432.db2.gz HPJKJFSLILGZAJ-UHFFFAOYSA-N 0 3 248.370 1.955 20 10 BDCDHN Cc1cccc(C[NH+]2CC(C(C)(C)O)C2)c1[O-] ZINC000839140683 585094567 /nfs/dbraw/zinc/09/45/67/585094567.db2.gz SRYPIVNIFUQJAJ-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@H](O)C1 ZINC000768141390 585532824 /nfs/dbraw/zinc/53/28/24/585532824.db2.gz ZSUNBYHWTVMPIE-JTQLQIEISA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@H](O)C1 ZINC000768141390 585532825 /nfs/dbraw/zinc/53/28/25/585532825.db2.gz ZSUNBYHWTVMPIE-JTQLQIEISA-N 0 3 237.299 1.358 20 10 BDCDHN [O-]c1cc2c(cc1C[NH+]1CCCCC1)[C@H](O)CO2 ZINC000768438705 585538491 /nfs/dbraw/zinc/53/84/91/585538491.db2.gz XFIFZIAQEZZRGU-CYBMUJFWSA-N 0 3 249.310 1.804 20 10 BDCDHN COCCC[N@H+](C)Cc1c([O-])cccc1OC ZINC000769138839 585549704 /nfs/dbraw/zinc/54/97/04/585549704.db2.gz AWGQUXGQVVOBJK-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN COCCC[N@@H+](C)Cc1c([O-])cccc1OC ZINC000769138839 585549705 /nfs/dbraw/zinc/54/97/05/585549705.db2.gz AWGQUXGQVVOBJK-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN COc1cccc([O-])c1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000770396042 585573889 /nfs/dbraw/zinc/57/38/89/585573889.db2.gz YEDGDTPMKQPWST-GHMZBOCLSA-N 0 3 248.326 1.052 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H]1CCO ZINC000779201248 585746969 /nfs/dbraw/zinc/74/69/69/585746969.db2.gz CELWONZJMZWFHU-GFCCVEGCSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H]1CCO ZINC000779201248 585746970 /nfs/dbraw/zinc/74/69/70/585746970.db2.gz CELWONZJMZWFHU-GFCCVEGCSA-N 0 3 221.300 1.739 20 10 BDCDHN CN(C)c1ccc(CN2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000783740114 585841677 /nfs/dbraw/zinc/84/16/77/585841677.db2.gz JDLWQTDMQBYNBL-DZGCQCFKSA-N 0 3 246.354 1.567 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788266906 585920197 /nfs/dbraw/zinc/92/01/97/585920197.db2.gz CXUXWLXMQHACHS-JQWIXIFHSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788266906 585920198 /nfs/dbraw/zinc/92/01/98/585920198.db2.gz CXUXWLXMQHACHS-JQWIXIFHSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1C ZINC000788271148 585920661 /nfs/dbraw/zinc/92/06/61/585920661.db2.gz ZFINUBFKVCKIBR-AAEUAGOBSA-N 0 3 235.327 1.964 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)cc1C ZINC000788271148 585920662 /nfs/dbraw/zinc/92/06/62/585920662.db2.gz ZFINUBFKVCKIBR-AAEUAGOBSA-N 0 3 235.327 1.964 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@@H](O)C2CC2)c1 ZINC000809751778 586517455 /nfs/dbraw/zinc/51/74/55/586517455.db2.gz KGFPMAQVECMUKO-CQSZACIVSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@@H](O)C2CC2)c1 ZINC000809751778 586517457 /nfs/dbraw/zinc/51/74/57/586517457.db2.gz KGFPMAQVECMUKO-CQSZACIVSA-N 0 3 235.327 1.903 20 10 BDCDHN C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000817953305 586849299 /nfs/dbraw/zinc/84/92/99/586849299.db2.gz ZTIDAOBFFIIORT-GHMZBOCLSA-N 0 3 220.316 1.795 20 10 BDCDHN Cc1cc(Cl)cc([C@@H](C)NC2C[NH2+]C2)c1[O-] ZINC000817956310 586849812 /nfs/dbraw/zinc/84/98/12/586849812.db2.gz WGZMAMLLKNRBPT-MRVPVSSYSA-N 0 3 240.734 1.976 20 10 BDCDHN C[C@H](NC1C[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817955872 586849856 /nfs/dbraw/zinc/84/98/56/586849856.db2.gz JXJUSBWVJHJGQG-ZETCQYMHSA-N 0 3 210.252 1.154 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CN)c([O-])c1 ZINC000817966296 586854590 /nfs/dbraw/zinc/85/45/90/586854590.db2.gz KXZSUOZHJSOMTJ-NXEZZACHSA-N 0 3 208.305 1.698 20 10 BDCDHN C[C@H]([NH2+]C[C@H](N)C1CC1)c1cc(F)ccc1[O-] ZINC000817965969 586855682 /nfs/dbraw/zinc/85/56/82/586855682.db2.gz XSUNLGJHIFGGPC-UFBFGSQYSA-N 0 3 238.306 1.919 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CN)c1cc(F)ccc1[O-] ZINC000817970049 586856661 /nfs/dbraw/zinc/85/66/61/586856661.db2.gz KHDXHVNKKFDADO-JGVFFNPUSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817977618 586859892 /nfs/dbraw/zinc/85/98/92/586859892.db2.gz LRJWHDWNULJTKD-VGMNWLOBSA-N 0 3 226.295 1.918 20 10 BDCDHN CC[C@H](N)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817979281 586862211 /nfs/dbraw/zinc/86/22/11/586862211.db2.gz JMLJGCGPIZNPGV-WPRPVWTQSA-N 0 3 226.295 1.919 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818231803 586880964 /nfs/dbraw/zinc/88/09/64/586880964.db2.gz VIMQQCJJZMGLKR-DGCLKSJQSA-N 0 3 237.299 1.404 20 10 BDCDHN C[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000821390930 587116236 /nfs/dbraw/zinc/11/62/36/587116236.db2.gz FYUMQBVBOPXJAQ-LLVKDONJSA-N 0 3 248.326 1.350 20 10 BDCDHN C[N@@H+](CC[C@H]1CCNC1=O)Cc1ccccc1[O-] ZINC000821390930 587116238 /nfs/dbraw/zinc/11/62/38/587116238.db2.gz FYUMQBVBOPXJAQ-LLVKDONJSA-N 0 3 248.326 1.350 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1[O-] ZINC000825315437 587314803 /nfs/dbraw/zinc/31/48/03/587314803.db2.gz AIHNEIBMDTYFCY-MFKMUULPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H](C)C[C@H](O)C2)c1[O-] ZINC000825315437 587314805 /nfs/dbraw/zinc/31/48/05/587314805.db2.gz AIHNEIBMDTYFCY-MFKMUULPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cc(N(C)C)ccc1CNC/C=C/CO ZINC000826940270 587366113 /nfs/dbraw/zinc/36/61/13/587366113.db2.gz BCNRSOCYNMVCFS-SNAWJCMRSA-N 0 3 234.343 1.699 20 10 BDCDHN C[C@H](O)C1(NCc2ccc(N(C)C)cc2)CC1 ZINC000827579544 587389861 /nfs/dbraw/zinc/38/98/61/587389861.db2.gz FWHZSSUCAGHZJP-NSHDSACASA-N 0 3 234.343 1.756 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C2([C@H](C)O)CC2)c1 ZINC000827585377 587390296 /nfs/dbraw/zinc/39/02/96/587390296.db2.gz HHASSAZRDRCADM-JTQLQIEISA-N 0 3 221.300 1.704 20 10 BDCDHN Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000829763979 587514617 /nfs/dbraw/zinc/51/46/17/587514617.db2.gz DWSHKVBRFMYOFZ-OLZOCXBDSA-N 0 3 247.342 1.024 20 10 BDCDHN C[C@@H](CNC(=O)c1cc([O-])cs1)C[NH+](C)C ZINC000832565107 587666906 /nfs/dbraw/zinc/66/69/06/587666906.db2.gz PGFXLJBKFQQFLM-QMMMGPOBSA-N 0 3 242.344 1.381 20 10 BDCDHN CN(C)c1ccc(/C=C/CNCCO)cc1 ZINC000835041871 587779384 /nfs/dbraw/zinc/77/93/84/587779384.db2.gz BFIRIONMWIGBBD-ONEGZZNKSA-N 0 3 220.316 1.348 20 10 BDCDHN CC(C)([NH3+])CNCc1c([O-])cccc1Cl ZINC000841031598 587936093 /nfs/dbraw/zinc/93/60/93/587936093.db2.gz XOYFVJNVJPNHDK-UHFFFAOYSA-N 0 3 228.723 1.873 20 10 BDCDHN CCn1nccc1CNCCc1ccc(N)cc1 ZINC000841034033 587937292 /nfs/dbraw/zinc/93/72/92/587937292.db2.gz FQTMBJIGCBNZQX-UHFFFAOYSA-N 0 3 244.342 1.818 20 10 BDCDHN C[C@H](CC[NH3+])NCc1c([O-])cccc1Cl ZINC000841052450 587939650 /nfs/dbraw/zinc/93/96/50/587939650.db2.gz XCYCCKJCYKHKGJ-MRVPVSSYSA-N 0 3 228.723 1.873 20 10 BDCDHN CC[C@@H](N)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841071393 587942577 /nfs/dbraw/zinc/94/25/77/587942577.db2.gz FTAHEMBXOHZEQD-SECBINFHSA-N 0 3 212.268 1.358 20 10 BDCDHN CC[C@@H]([NH3+])CNCc1cccc(F)c1[O-] ZINC000841071393 587942580 /nfs/dbraw/zinc/94/25/80/587942580.db2.gz FTAHEMBXOHZEQD-SECBINFHSA-N 0 3 212.268 1.358 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000841077402 587944849 /nfs/dbraw/zinc/94/48/49/587944849.db2.gz AQWDMKUHLIUVEU-RYUDHWBXSA-N 0 3 238.306 1.490 20 10 BDCDHN CC1(C)[NH2+]CC[C@H]1NCc1ccccc1[O-] ZINC000841085549 587945501 /nfs/dbraw/zinc/94/55/01/587945501.db2.gz GSUWNTIFNQKNRP-GFCCVEGCSA-N 0 3 220.316 1.622 20 10 BDCDHN CO[C@@H]1COC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000842752727 588059421 /nfs/dbraw/zinc/05/94/21/588059421.db2.gz SRTOTIGARQEDNW-TZMCWYRMSA-N 0 3 249.310 1.125 20 10 BDCDHN COc1cccc([O-])c1CN(C)[C@@H]1CC[NH2+]C1 ZINC000843049600 588076768 /nfs/dbraw/zinc/07/67/68/588076768.db2.gz SJPWJGGOTJZNNV-SNVBAGLBSA-N 0 3 236.315 1.195 20 10 BDCDHN C[NH2+]C[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843053366 588076869 /nfs/dbraw/zinc/07/68/69/588076869.db2.gz XZYFYXWZAICXCT-SNVBAGLBSA-N 0 3 238.306 1.573 20 10 BDCDHN Cc1ccc(O)c(CN2CC(C)(C(N)=O)C2)c1 ZINC000843415788 588107336 /nfs/dbraw/zinc/10/73/36/588107336.db2.gz KMWDFTUJBLJJTB-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1ccc([O-])c(C[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000843415788 588107337 /nfs/dbraw/zinc/10/73/37/588107337.db2.gz KMWDFTUJBLJJTB-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000846168811 588258902 /nfs/dbraw/zinc/25/89/02/588258902.db2.gz LZMMZDFMZMCHJO-BBBLOLIVSA-N 0 3 237.299 1.575 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@H]2CCOC2)c1[O-] ZINC000846158498 588259129 /nfs/dbraw/zinc/25/91/29/588259129.db2.gz ZWTBGEHJIMZEKJ-ZJUUUORDSA-N 0 3 237.299 1.840 20 10 BDCDHN [O-]c1ccccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000850113888 588520355 /nfs/dbraw/zinc/52/03/55/588520355.db2.gz ZAHNXPOIRQIJCV-UHFFFAOYSA-N 0 3 243.310 1.825 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@]1(C)OC ZINC000850408758 588544513 /nfs/dbraw/zinc/54/45/13/588544513.db2.gz DVXHMJXUTQXUFO-OLZOCXBDSA-N 0 3 237.299 1.668 20 10 BDCDHN CN(C)c1ccc(CN[C@H]2C[C@H](O)C2)cc1 ZINC000850417909 588545034 /nfs/dbraw/zinc/54/50/34/588545034.db2.gz QRVUPIRCLXEOJF-AULYBMBSSA-N 0 3 220.316 1.366 20 10 BDCDHN COc1cccc(C[NH2+]CC2(CO)CC2)c1[O-] ZINC000118906870 589204339 /nfs/dbraw/zinc/20/43/39/589204339.db2.gz UDHSDUAKUCZZKB-UHFFFAOYSA-N 0 3 237.299 1.263 20 10 BDCDHN CCc1cccc(CNC2(C)COC2)c1O ZINC000864049931 589335373 /nfs/dbraw/zinc/33/53/73/589335373.db2.gz OSTGGNGXSLCJAU-UHFFFAOYSA-N 0 3 221.300 1.833 20 10 BDCDHN CCN(CC)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200897 589744414 /nfs/dbraw/zinc/74/44/14/589744414.db2.gz MDFCHSZBZRXUMH-UHFFFAOYSA-N 0 3 248.326 1.576 20 10 BDCDHN CC[C@H](C(=O)N1Cc2cccc(O)c2C1)N(C)C ZINC000871203662 589744542 /nfs/dbraw/zinc/74/45/42/589744542.db2.gz PLCTUARFWOBEHT-GFCCVEGCSA-N 0 3 248.326 1.575 20 10 BDCDHN C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1CN ZINC000873216545 589998145 /nfs/dbraw/zinc/99/81/45/589998145.db2.gz QEJHFQGAHXODOZ-GXSJLCMTSA-N 0 3 238.306 1.558 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1CN ZINC000873216545 589998147 /nfs/dbraw/zinc/99/81/47/589998147.db2.gz QEJHFQGAHXODOZ-GXSJLCMTSA-N 0 3 238.306 1.558 20 10 BDCDHN COC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000876501228 590202783 /nfs/dbraw/zinc/20/27/83/590202783.db2.gz KZHCEMBQYPXDAL-NSHDSACASA-N 0 3 237.303 1.108 20 10 BDCDHN Cc1ccc(C[N@H+]2CCCN(C)CC2)c([O-])c1 ZINC000876510936 590205662 /nfs/dbraw/zinc/20/56/62/590205662.db2.gz SCKRCXHLHAXDNM-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCCN(C)CC2)c([O-])c1 ZINC000876510936 590205663 /nfs/dbraw/zinc/20/56/63/590205663.db2.gz SCKRCXHLHAXDNM-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876594912 590219647 /nfs/dbraw/zinc/21/96/47/590219647.db2.gz TXJZDMDYSAJRAT-GFCCVEGCSA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876594912 590219648 /nfs/dbraw/zinc/21/96/48/590219648.db2.gz TXJZDMDYSAJRAT-GFCCVEGCSA-N 0 3 249.310 1.696 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000877053118 590275097 /nfs/dbraw/zinc/27/50/97/590275097.db2.gz CZAOPYSLOKSOSK-NSHDSACASA-N 0 3 248.326 1.411 20 10 BDCDHN C[C@H]1CCN[C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877076701 590278579 /nfs/dbraw/zinc/27/85/79/590278579.db2.gz UDDXLQQQDSQLFI-GXFFZTMASA-N 0 3 247.342 1.620 20 10 BDCDHN CCCN[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077792 590279179 /nfs/dbraw/zinc/27/91/79/590279179.db2.gz USFPRZXMRQFWMK-SNVBAGLBSA-N 0 3 235.331 1.620 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1(CO)CC1 ZINC000877078548 590279391 /nfs/dbraw/zinc/27/93/91/590279391.db2.gz UJCNZEPACRERNO-UHFFFAOYSA-N 0 3 221.300 1.563 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)CO ZINC000877117119 590288302 /nfs/dbraw/zinc/28/83/02/590288302.db2.gz JOPIUYYGZKKBNM-UHFFFAOYSA-N 0 3 223.316 1.809 20 10 BDCDHN CC[C@](C)(CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877143377 590291710 /nfs/dbraw/zinc/29/17/10/590291710.db2.gz MVNFGJVZFGUEOU-CYBMUJFWSA-N 0 3 223.316 1.951 20 10 BDCDHN CCOCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877145402 590292262 /nfs/dbraw/zinc/29/22/62/590292262.db2.gz GZXXTTBMZURTLU-UHFFFAOYSA-N 0 3 209.289 1.827 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C[C@@H](C)O ZINC000877195268 590299472 /nfs/dbraw/zinc/29/94/72/590299472.db2.gz FWVZDSPZDRFHBD-GHMZBOCLSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c([O-])c1 ZINC000877430719 590326144 /nfs/dbraw/zinc/32/61/44/590326144.db2.gz POQAZVNFQOALQQ-OLZOCXBDSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC000877463999 590333091 /nfs/dbraw/zinc/33/30/91/590333091.db2.gz IETOMNYOXFVPCQ-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c([O-])c1 ZINC000877463999 590333094 /nfs/dbraw/zinc/33/30/94/590333094.db2.gz IETOMNYOXFVPCQ-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC000877468072 590333446 /nfs/dbraw/zinc/33/34/46/590333446.db2.gz YCMCPUSIMCDOAG-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC000877468072 590333448 /nfs/dbraw/zinc/33/34/48/590333448.db2.gz YCMCPUSIMCDOAG-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CN(C)C ZINC000877523698 590346715 /nfs/dbraw/zinc/34/67/15/590346715.db2.gz LYRNDNNNCPPEML-NSHDSACASA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([O-])c1 ZINC000877546959 590352682 /nfs/dbraw/zinc/35/26/82/590352682.db2.gz WCYMUEUAFBNMQS-ITGUQSILSA-N 0 3 233.311 1.371 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c([O-])c1 ZINC000877546959 590352685 /nfs/dbraw/zinc/35/26/85/590352685.db2.gz WCYMUEUAFBNMQS-ITGUQSILSA-N 0 3 233.311 1.371 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c([O-])c1 ZINC000877571828 590363203 /nfs/dbraw/zinc/36/32/03/590363203.db2.gz KHXMEHDKOBKBDM-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c([O-])c1 ZINC000877571828 590363206 /nfs/dbraw/zinc/36/32/06/590363206.db2.gz KHXMEHDKOBKBDM-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c([O-])c1 ZINC000877578107 590363713 /nfs/dbraw/zinc/36/37/13/590363713.db2.gz UZEUDJGCTVFPCX-CQSZACIVSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1ccc(C[NH2+]C/C=C/CO)c([O-])c1 ZINC000877624060 590377263 /nfs/dbraw/zinc/37/72/63/590377263.db2.gz IFYBJGIXTDUVON-NSCUHMNNSA-N 0 3 207.273 1.339 20 10 BDCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877641566 590382249 /nfs/dbraw/zinc/38/22/49/590382249.db2.gz ZDXWIDDVYLSMPM-HAQNSBGRSA-N 0 3 249.310 1.742 20 10 BDCDHN Cc1cccc(CNC2(C)COC2)c1O ZINC000877691558 590393415 /nfs/dbraw/zinc/39/34/15/590393415.db2.gz RFYIPYCSIYVBGP-UHFFFAOYSA-N 0 3 207.273 1.579 20 10 BDCDHN CC(C)(CCO)[NH2+]Cc1ccccc1[O-] ZINC000127132263 590574101 /nfs/dbraw/zinc/57/41/01/590574101.db2.gz IDHKOGJTCSOXJB-UHFFFAOYSA-N 0 3 209.289 1.643 20 10 BDCDHN C[C@@H]([NH2+]CC(=O)N1CCC1)c1ccccc1[O-] ZINC000879648993 590842531 /nfs/dbraw/zinc/84/25/31/590842531.db2.gz IQTGZUPRBNGPMF-SNVBAGLBSA-N 0 3 234.299 1.275 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccccc1[O-] ZINC000879650907 590843451 /nfs/dbraw/zinc/84/34/51/590843451.db2.gz WIOLWSFETJTVBO-UWVGGRQHSA-N 0 3 235.283 1.748 20 10 BDCDHN [NH3+][C@@H]1CCCN(Cc2c([O-])cccc2Cl)C1 ZINC000128318236 590978817 /nfs/dbraw/zinc/97/88/17/590978817.db2.gz IKIACLOQNGNAKQ-SECBINFHSA-N 0 3 240.734 1.969 20 10 BDCDHN CCN(C)c1ccc(CN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880418545 591027219 /nfs/dbraw/zinc/02/72/19/591027219.db2.gz CBBWEHPFQATLOC-ZFWWWQNUSA-N 0 3 246.354 1.709 20 10 BDCDHN C[C@@H]1CN(Cc2cc(F)ccc2[O-])C[C@H]1[NH3+] ZINC000300334492 592507605 /nfs/dbraw/zinc/50/76/05/592507605.db2.gz ZDRICQJKBPTZCJ-LDYMZIIASA-N 0 3 224.279 1.310 20 10 BDCDHN Cn1cnc(CC[NH2+]Cc2cc(F)ccc2[O-])c1 ZINC000313270715 634459103 /nfs/dbraw/zinc/45/91/03/634459103.db2.gz BYHMHWNUQWRVRZ-UHFFFAOYSA-N 0 3 249.289 1.597 20 10 BDCDHN CC[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000309511666 632433306 /nfs/dbraw/zinc/43/33/06/632433306.db2.gz PQBATQJHLFZQES-GHMZBOCLSA-N 0 3 221.300 1.740 20 10 BDCDHN C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(F)ccc1[O-] ZINC000309298642 632905830 /nfs/dbraw/zinc/90/58/30/632905830.db2.gz LLFXGINCFXYSRX-KWQFWETISA-N 0 3 224.279 1.453 20 10 BDCDHN C[C@H](C[NH3+])N(C)Cc1cccc(F)c1[O-] ZINC000309500762 633938890 /nfs/dbraw/zinc/93/88/90/633938890.db2.gz UXAZAHKWMFDJRP-MRVPVSSYSA-N 0 3 212.268 1.310 20 10 BDCDHN C[C@H](CN)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000309500762 633938898 /nfs/dbraw/zinc/93/88/98/633938898.db2.gz UXAZAHKWMFDJRP-MRVPVSSYSA-N 0 3 212.268 1.310 20 10 BDCDHN C[C@H](CN)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000309500762 633938905 /nfs/dbraw/zinc/93/89/05/633938905.db2.gz UXAZAHKWMFDJRP-MRVPVSSYSA-N 0 3 212.268 1.310 20 10 BDCDHN CC(C)[C@@H](CO)C[NH2+]Cc1ccccc1[O-] ZINC000309643547 633982230 /nfs/dbraw/zinc/98/22/30/633982230.db2.gz VGMLXKHNYMDCBV-GFCCVEGCSA-N 0 3 223.316 1.746 20 10 BDCDHN CC[C@H]([NH2+][C@H](C)c1ccccc1[O-])C(N)=O ZINC000310005227 634067248 /nfs/dbraw/zinc/06/72/48/634067248.db2.gz GIZSQSNYJJPFJH-SCZZXKLOSA-N 0 3 222.288 1.307 20 10 BDCDHN CC(C)N(C)CC[NH2+]Cc1ccccc1[O-] ZINC000054110773 635389575 /nfs/dbraw/zinc/38/95/75/635389575.db2.gz AFCKYMHMRQRGTP-UHFFFAOYSA-N 0 3 222.332 1.822 20 10 BDCDHN CNC(=O)C[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000322803379 636882060 /nfs/dbraw/zinc/88/20/60/636882060.db2.gz RBGVDAMXOJVPJO-GXSJLCMTSA-N 0 3 248.326 1.494 20 10 BDCDHN [NH3+]C1CC(NCc2cc(Cl)cc(F)c2[O-])C1 ZINC000906511204 638183399 /nfs/dbraw/zinc/18/33/99/638183399.db2.gz YHJOKKWEURQRIP-UHFFFAOYSA-N 0 3 244.697 1.764 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(CO)CC1 ZINC000226613873 640779938 /nfs/dbraw/zinc/77/99/38/640779938.db2.gz VHTXBOMUCKKYBG-UHFFFAOYSA-N 0 3 225.263 1.393 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCOC1)c1ccccc1[O-] ZINC000087783053 641037021 /nfs/dbraw/zinc/03/70/21/641037021.db2.gz SJLIJQFCALURPS-UWVGGRQHSA-N 0 3 207.273 1.832 20 10 BDCDHN Cn1ccc(CC[NH2+]Cc2cc(F)ccc2[O-])n1 ZINC000230943502 641118549 /nfs/dbraw/zinc/11/85/49/641118549.db2.gz SDNXQLQNHSPFTQ-UHFFFAOYSA-N 0 3 249.289 1.597 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000083345887 643436678 /nfs/dbraw/zinc/43/66/78/643436678.db2.gz VNDMMXWEMUJRFW-NSHDSACASA-N 0 3 209.289 1.561 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923008615 644232711 /nfs/dbraw/zinc/23/27/11/644232711.db2.gz UBVWPXVROHIHLD-HOMQSWHASA-N 0 3 207.273 1.253 20 10 BDCDHN CC1(C)CN(C(=O)Cc2ccc(N)cc2)CCN1 ZINC000841854890 645231122 /nfs/dbraw/zinc/23/11/22/645231122.db2.gz BQBPARSULFLQIK-UHFFFAOYSA-N 0 3 247.342 1.022 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)CCF ZINC000846097096 645405469 /nfs/dbraw/zinc/40/54/69/645405469.db2.gz DNBFWFRWSDIUOO-SNVBAGLBSA-N 0 3 231.242 1.341 20 10 BDCDHN Cc1nnc(CC[N@@H+](C)Cc2ccccc2[O-])o1 ZINC000929975915 646382920 /nfs/dbraw/zinc/38/29/20/646382920.db2.gz KHUPUKQYLIBIIZ-UHFFFAOYSA-N 0 3 247.298 1.758 20 10 BDCDHN Cc1nnc(CC[N@H+](C)Cc2ccccc2[O-])o1 ZINC000929975915 646382922 /nfs/dbraw/zinc/38/29/22/646382922.db2.gz KHUPUKQYLIBIIZ-UHFFFAOYSA-N 0 3 247.298 1.758 20 10 BDCDHN C[C@H]1C[C@H]([NH2+]CCO)c2c1c(F)ccc2[O-] ZINC000381259262 710613490 /nfs/dbraw/zinc/61/34/90/710613490.db2.gz RNMDJPJGVGWXFE-CBAPKCEASA-N 0 3 225.263 1.662 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000381496008 710646407 /nfs/dbraw/zinc/64/64/07/710646407.db2.gz BFMOYAIFBIECIT-MNOVXSKESA-N 0 3 219.284 1.758 20 10 BDCDHN CN1CCC[NH+]=C1NCc1ccccc1[O-] ZINC000386100798 711022759 /nfs/dbraw/zinc/02/27/59/711022759.db2.gz JSJGRKCQBIECTF-UHFFFAOYSA-N 0 3 219.288 1.173 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCc1cnccn1 ZINC000389923295 711099030 /nfs/dbraw/zinc/09/90/30/711099030.db2.gz GRDAWJSCVMPPSL-UHFFFAOYSA-N 0 3 247.273 1.654 20 10 BDCDHN CCOc1cccc(CNCc2c[nH]nn2)c1O ZINC000398284174 711406393 /nfs/dbraw/zinc/40/63/93/711406393.db2.gz BKEYKSZCXDDERF-UHFFFAOYSA-N 0 3 248.286 1.199 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(CO)CC1)CC2 ZINC000383842225 710951565 /nfs/dbraw/zinc/95/15/65/710951565.db2.gz KOHJYVZSIDRCRA-LLVKDONJSA-N 0 3 233.311 1.742 20 10 BDCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](C)O ZINC000395372178 711208092 /nfs/dbraw/zinc/20/80/92/711208092.db2.gz VAVRPNFYCPEUKL-GXSJLCMTSA-N 0 3 209.289 1.641 20 10 BDCDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCN1C ZINC000090721239 711503264 /nfs/dbraw/zinc/50/32/64/711503264.db2.gz ULPUYZMYDUJNPC-WCQYABFASA-N 0 3 234.343 1.965 20 10 BDCDHN CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000724879945 711622987 /nfs/dbraw/zinc/62/29/87/711622987.db2.gz GKEDVMZJEPXTDC-DGCLKSJQSA-N 0 3 237.299 1.286 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922798995 711976760 /nfs/dbraw/zinc/97/67/60/711976760.db2.gz NTNOVYVCFUWTNA-UHFFFAOYSA-N 0 3 249.310 1.635 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccccc1[O-] ZINC000707764255 712177942 /nfs/dbraw/zinc/17/79/42/712177942.db2.gz ZUKHDPDGGBZLLL-ZYHUDNBSSA-N 0 3 248.326 1.664 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cc(F)ccc1[O-] ZINC000712596582 712435829 /nfs/dbraw/zinc/43/58/29/712435829.db2.gz VCFOZTXVDYJMFZ-KOLCDFICSA-N 0 3 238.306 1.886 20 10 BDCDHN COc1ccc(CNC/C=C/CO)cc1C ZINC000717532258 712660498 /nfs/dbraw/zinc/66/04/98/712660498.db2.gz MQQVYFNYTPDXIK-ONEGZZNKSA-N 0 3 221.300 1.642 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C/C=C/CO)CC2 ZINC000717532236 712660781 /nfs/dbraw/zinc/66/07/81/712660781.db2.gz IJADYHRJSWGVKJ-GXFZAYBSSA-N 0 3 219.284 1.518 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)C1CCC1 ZINC000717617443 712662678 /nfs/dbraw/zinc/66/26/78/712662678.db2.gz WATBBQATYRCWHG-GFCCVEGCSA-N 0 3 221.300 1.643 20 10 BDCDHN COCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209211176 969402818 /nfs/dbraw/zinc/40/28/18/969402818.db2.gz MJCGFQUKTDIKSX-UHFFFAOYSA-N 0 3 207.273 1.397 20 10 BDCDHN COCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209211176 969402823 /nfs/dbraw/zinc/40/28/23/969402823.db2.gz MJCGFQUKTDIKSX-UHFFFAOYSA-N 0 3 207.273 1.397 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404225630 971149410 /nfs/dbraw/zinc/14/94/10/971149410.db2.gz LCNAIXWRVSJRAR-ZDUSSCGKSA-N 0 3 237.299 1.023 20 10 BDCDHN COC[C@H](CC[NH2+]Cc1ccccc1[O-])OC ZINC000694374740 959846683 /nfs/dbraw/zinc/84/66/83/959846683.db2.gz QSFIOYFUGPNNGC-LBPRGKRZSA-N 0 3 239.315 1.533 20 10 BDCDHN C[C@H]1CCN(CC[NH2+]Cc2ccccc2[O-])C1 ZINC000692601765 960333995 /nfs/dbraw/zinc/33/39/95/960333995.db2.gz FOZHECGSHDWEDD-LBPRGKRZSA-N 0 3 234.343 1.824 20 10 BDCDHN COC(=O)CC1CN(Cc2ccc(C)cc2O)C1 ZINC001140951133 960759160 /nfs/dbraw/zinc/75/91/60/960759160.db2.gz ZYVVDGMNOOCIAP-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN CC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561386 966689957 /nfs/dbraw/zinc/68/99/57/966689957.db2.gz UDHQNHOXBDYAMH-NSHDSACASA-N 0 3 219.284 1.803 20 10 BDCDHN CC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561386 966689968 /nfs/dbraw/zinc/68/99/68/966689968.db2.gz UDHQNHOXBDYAMH-NSHDSACASA-N 0 3 219.284 1.803 20 10 BDCDHN COc1ccc(C[N@H+](C)CC2COC2)c([O-])c1 ZINC001203629325 966712782 /nfs/dbraw/zinc/71/27/82/966712782.db2.gz WHNAJECDGKRSSZ-UHFFFAOYSA-N 0 3 237.299 1.479 20 10 BDCDHN COc1ccc(C[N@@H+](C)CC2COC2)c([O-])c1 ZINC001203629325 966712791 /nfs/dbraw/zinc/71/27/91/966712791.db2.gz WHNAJECDGKRSSZ-UHFFFAOYSA-N 0 3 237.299 1.479 20 10 BDCDHN Oc1ccc(CN2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001204272010 966950593 /nfs/dbraw/zinc/95/05/93/966950593.db2.gz GQAZKYLDDPTKAV-PWSUYJOCSA-N 0 3 241.262 1.003 20 10 BDCDHN COC1CC[NH+](Cc2ccc(O)cc2[O-])CC1 ZINC001204272531 966954725 /nfs/dbraw/zinc/95/47/25/966954725.db2.gz PPKYLJZZGAKCGD-UHFFFAOYSA-N 0 3 237.299 1.709 20 10 BDCDHN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204277226 966959735 /nfs/dbraw/zinc/95/97/35/966959735.db2.gz WTKUUFNAVSHNKK-SKDRFNHKSA-N 0 3 237.299 1.443 20 10 BDCDHN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204277226 966959743 /nfs/dbraw/zinc/95/97/43/966959743.db2.gz WTKUUFNAVSHNKK-SKDRFNHKSA-N 0 3 237.299 1.443 20 10 BDCDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCOC1 ZINC001204279088 966960325 /nfs/dbraw/zinc/96/03/25/966960325.db2.gz QBIFUIVYFIQJTQ-SNVBAGLBSA-N 0 3 223.272 1.319 20 10 BDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCOC1 ZINC001204279088 966960337 /nfs/dbraw/zinc/96/03/37/966960337.db2.gz QBIFUIVYFIQJTQ-SNVBAGLBSA-N 0 3 223.272 1.319 20 10 BDCDHN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204279229 966961441 /nfs/dbraw/zinc/96/14/41/966961441.db2.gz SZCLOXURQFZWOZ-JOYOIKCWSA-N 0 3 237.299 1.443 20 10 BDCDHN C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204279229 966961447 /nfs/dbraw/zinc/96/14/47/966961447.db2.gz SZCLOXURQFZWOZ-JOYOIKCWSA-N 0 3 237.299 1.443 20 10 BDCDHN COc1cc(N(C)C)ccc1CN(C)C ZINC001231848048 977767287 /nfs/dbraw/zinc/76/72/87/977767287.db2.gz FRIYSTRVVNHQSG-UHFFFAOYSA-N 0 3 208.305 1.823 20 10 BDCDHN CN(C)c1ccc(CN2CCN(C)CC2)c(O)c1 ZINC001232835151 978307952 /nfs/dbraw/zinc/30/79/52/978307952.db2.gz XQEODNVVIITOBZ-UHFFFAOYSA-N 0 3 249.358 1.206 20 10 BDCDHN COC[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276996 978928351 /nfs/dbraw/zinc/92/83/51/978928351.db2.gz VEZNCNICXRODHX-SNVBAGLBSA-N 0 3 237.299 1.566 20 10 BDCDHN COC[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276996 978928355 /nfs/dbraw/zinc/92/83/55/978928355.db2.gz VEZNCNICXRODHX-SNVBAGLBSA-N 0 3 237.299 1.566 20 10 BDCDHN CC(C)[C@@H]([NH3+])C(=O)NCc1c([O-])cccc1F ZINC001341012444 979197028 /nfs/dbraw/zinc/19/70/28/979197028.db2.gz YNYMKPZATNJUFP-LLVKDONJSA-N 0 3 240.278 1.131 20 10 BDCDHN OCCCN1CCCc2cc(O)c(O)cc2C1 ZINC001236100059 979389312 /nfs/dbraw/zinc/38/93/12/979389312.db2.gz CCTBGABMXKEGOW-UHFFFAOYSA-N 0 3 237.299 1.228 20 10 BDCDHN C[C@H]([NH3+])CN(C)Cc1cc(Cl)c([O-])cc1O ZINC001236904430 979790997 /nfs/dbraw/zinc/79/09/97/979790997.db2.gz MRJQAJMPELUWJG-ZETCQYMHSA-N 0 3 244.722 1.530 20 10 BDCDHN COC(=O)Cc1ccc(C[NH+]2CC(C)C2)c([O-])c1 ZINC001249172254 989264797 /nfs/dbraw/zinc/26/47/97/989264797.db2.gz JXKACJFALKLMFF-UHFFFAOYSA-N 0 3 249.310 1.559 20 10 BDCDHN [O-]c1c(F)cccc1C[N@@H+]1CCN2CC[C@H]2C1 ZINC001138130942 990887335 /nfs/dbraw/zinc/88/73/35/990887335.db2.gz LYYWSJHBSDIOBA-NSHDSACASA-N 0 3 236.290 1.421 20 10 BDCDHN [O-]c1c(F)cccc1C[N@H+]1CCN2CC[C@H]2C1 ZINC001138130942 990887336 /nfs/dbraw/zinc/88/73/36/990887336.db2.gz LYYWSJHBSDIOBA-NSHDSACASA-N 0 3 236.290 1.421 20 10 BDCDHN [O-]c1c(F)cccc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001138130942 990887337 /nfs/dbraw/zinc/88/73/37/990887337.db2.gz LYYWSJHBSDIOBA-NSHDSACASA-N 0 3 236.290 1.421 20 10 BDCDHN [O-]c1c(F)cccc1CN1CC[N@H+]2CC[C@H]2C1 ZINC001138130942 990887342 /nfs/dbraw/zinc/88/73/42/990887342.db2.gz LYYWSJHBSDIOBA-NSHDSACASA-N 0 3 236.290 1.421 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)N1 ZINC001202897643 991155530 /nfs/dbraw/zinc/15/55/30/991155530.db2.gz AXLGQPOHELPFOH-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)N1 ZINC001202897643 991155536 /nfs/dbraw/zinc/15/55/36/991155536.db2.gz AXLGQPOHELPFOH-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@H](O)C1 ZINC001140057238 991511882 /nfs/dbraw/zinc/51/18/82/991511882.db2.gz CYYAJDICLZMSDH-LBPRGKRZSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001140057238 991511893 /nfs/dbraw/zinc/51/18/93/991511893.db2.gz CYYAJDICLZMSDH-LBPRGKRZSA-N 0 3 239.290 1.878 20 10 BDCDHN CCC[C@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825885 343409909 /nfs/dbraw/zinc/40/99/09/343409909.db2.gz ADPIDCGBVSPNNC-ZDUSSCGKSA-N 0 3 249.358 1.496 20 10 BDCDHN CC[C@@H](O)CC[NH2+]Cc1ccccc1[O-] ZINC000131702176 344233858 /nfs/dbraw/zinc/23/38/58/344233858.db2.gz MTOUGAIKRSRFFX-LLVKDONJSA-N 0 3 209.289 1.643 20 10 BDCDHN Cc1cccc(C[N@H+](CCO)C2CC2)c1[O-] ZINC000132490260 179071066 /nfs/dbraw/zinc/07/10/66/179071066.db2.gz WFJBXDDMYLWAMQ-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@@H+](CCO)C2CC2)c1[O-] ZINC000132490260 179071070 /nfs/dbraw/zinc/07/10/70/179071070.db2.gz WFJBXDDMYLWAMQ-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@H+](C)CCOCCO)c1[O-] ZINC000282842034 179066828 /nfs/dbraw/zinc/06/68/28/179066828.db2.gz VTPZGMQYJCTZKI-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN Cc1cccc(C[N@@H+](C)CCOCCO)c1[O-] ZINC000282842034 179066829 /nfs/dbraw/zinc/06/68/29/179066829.db2.gz VTPZGMQYJCTZKI-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN Cc1cccc(C[NH2+]C2CCN(C)CC2)c1[O-] ZINC000083361138 179090887 /nfs/dbraw/zinc/09/08/87/179090887.db2.gz HTTMOIVXVHKQSU-UHFFFAOYSA-N 0 3 234.343 1.884 20 10 BDCDHN CC(=O)NCCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000179902635 188081137 /nfs/dbraw/zinc/08/11/37/188081137.db2.gz PAGGDQKSZODYFA-SNVBAGLBSA-N 0 3 236.315 1.569 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](O)C(C)C)c1 ZINC000123905814 188154689 /nfs/dbraw/zinc/15/46/89/188154689.db2.gz AFVPJOOCPKZNFD-CYBMUJFWSA-N 0 3 223.316 1.807 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])[C@@H](C)CO ZINC000293516794 353751843 /nfs/dbraw/zinc/75/18/43/353751843.db2.gz APZYSPPQZJMINS-JTQLQIEISA-N 0 3 209.289 1.595 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@@H](C)CO ZINC000293516794 353751846 /nfs/dbraw/zinc/75/18/46/353751846.db2.gz APZYSPPQZJMINS-JTQLQIEISA-N 0 3 209.289 1.595 20 10 BDCDHN COc1ccc(CN[C@H]2C[C@@H](O)C2)cc1C ZINC000294891967 541418628 /nfs/dbraw/zinc/41/86/28/541418628.db2.gz QWODNWCDUCUQGA-TXEJJXNPSA-N 0 3 221.300 1.617 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C1(CO)CCOCC1 ZINC000227214168 183038360 /nfs/dbraw/zinc/03/83/60/183038360.db2.gz YDGNSURRZHOOSY-UHFFFAOYSA-N 0 3 237.299 1.023 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1CO ZINC000179912061 183151021 /nfs/dbraw/zinc/15/10/21/183151021.db2.gz XBIMAHYLASNODZ-LLVKDONJSA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CO ZINC000179912061 183151023 /nfs/dbraw/zinc/15/10/23/183151023.db2.gz XBIMAHYLASNODZ-LLVKDONJSA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](CO)C1 ZINC000128551555 183153882 /nfs/dbraw/zinc/15/38/82/183153882.db2.gz AHJKDMGXUJONRF-JTQLQIEISA-N 0 3 207.273 1.206 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000128551555 183153883 /nfs/dbraw/zinc/15/38/83/183153883.db2.gz AHJKDMGXUJONRF-JTQLQIEISA-N 0 3 207.273 1.206 20 10 BDCDHN CCCN(CC(=O)NC)Cc1ccccc1O ZINC000076074194 169094594 /nfs/dbraw/zinc/09/45/94/169094594.db2.gz LMOJBFYGBSFMTA-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000187674987 183275532 /nfs/dbraw/zinc/27/55/32/183275532.db2.gz YPARGYYZSKQJEB-DGCLKSJQSA-N 0 3 239.290 1.924 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000369677020 183302125 /nfs/dbraw/zinc/30/21/25/183302125.db2.gz UXTNDGUCSCVWOD-AWEZNQCLSA-N 0 3 233.311 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000369677020 183302129 /nfs/dbraw/zinc/30/21/29/183302129.db2.gz UXTNDGUCSCVWOD-AWEZNQCLSA-N 0 3 233.311 1.739 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000019918603 183302457 /nfs/dbraw/zinc/30/24/57/183302457.db2.gz OCJYIOTZKSPAQR-UHFFFAOYSA-N 0 3 221.300 1.785 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000165144923 183303235 /nfs/dbraw/zinc/30/32/35/183303235.db2.gz OGWNJSDIDZPSRQ-GFCCVEGCSA-N 0 3 239.340 1.350 20 10 BDCDHN CCC[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825887 169390488 /nfs/dbraw/zinc/39/04/88/169390488.db2.gz ADPIDCGBVSPNNC-CYBMUJFWSA-N 0 3 249.358 1.496 20 10 BDCDHN CC[C@@H](CCO)C[NH2+]Cc1ccccc1[O-] ZINC000087362653 383829566 /nfs/dbraw/zinc/82/95/66/383829566.db2.gz WRHXDLQILQVKQL-NSHDSACASA-N 0 3 223.316 1.890 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](C)CO ZINC000077421955 384067985 /nfs/dbraw/zinc/06/79/85/384067985.db2.gz JEZVMNNYFZAZIL-NXEZZACHSA-N 0 3 209.289 1.499 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000070954896 384143529 /nfs/dbraw/zinc/14/35/29/384143529.db2.gz QOWGNBSCLSWABO-LBPRGKRZSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc(O)c(CNCC(=O)NC(C)C)c1 ZINC000071407080 384165994 /nfs/dbraw/zinc/16/59/94/384165994.db2.gz DYJMYHMROUVGGK-UHFFFAOYSA-N 0 3 236.315 1.315 20 10 BDCDHN Cc1ccc(O)c(CN[C@@H](C)C(=O)N(C)C)c1 ZINC000071407091 384166117 /nfs/dbraw/zinc/16/61/17/384166117.db2.gz MDOKMNHAIAELEP-JTQLQIEISA-N 0 3 236.315 1.267 20 10 BDCDHN C[C@H]([NH2+]CCn1ccnc1)c1ccccc1[O-] ZINC000041119232 384177957 /nfs/dbraw/zinc/17/79/57/384177957.db2.gz HZFUMHDAWLPZMN-NSHDSACASA-N 0 3 231.299 1.940 20 10 BDCDHN C[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000132432770 384190768 /nfs/dbraw/zinc/19/07/68/384190768.db2.gz HATLBZPDAXAMOR-UWVGGRQHSA-N 0 3 209.289 1.814 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1[O-] ZINC000132433190 384230024 /nfs/dbraw/zinc/23/00/24/384230024.db2.gz HATLBZPDAXAMOR-VHSXEESVSA-N 0 3 209.289 1.814 20 10 BDCDHN C[C@H]([NH2+]CCOCCO)c1cc(F)ccc1[O-] ZINC000094616989 384307778 /nfs/dbraw/zinc/30/77/78/384307778.db2.gz GYJUOJDNJIMMKP-VIFPVBQESA-N 0 3 243.278 1.191 20 10 BDCDHN CN(Cc1ccccc1O)[C@@H]1CCCCNC1=O ZINC000119948004 384318925 /nfs/dbraw/zinc/31/89/25/384318925.db2.gz ORHOMOHLUAKJJU-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN CC[N@H+](CCOC)Cc1cccc(OC)c1[O-] ZINC000133267554 384282405 /nfs/dbraw/zinc/28/24/05/384282405.db2.gz DGUYDICOXWODME-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CC[N@@H+](CCOC)Cc1cccc(OC)c1[O-] ZINC000133267554 384282408 /nfs/dbraw/zinc/28/24/08/384282408.db2.gz DGUYDICOXWODME-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]C[C@H](C)O)c([O-])c1 ZINC000035601542 384412119 /nfs/dbraw/zinc/41/21/19/384412119.db2.gz YPIMBHDITIXSNT-UWVGGRQHSA-N 0 3 209.289 1.732 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCCNC2=O)c1 ZINC000050394924 384621753 /nfs/dbraw/zinc/62/17/53/384621753.db2.gz SMJBGLWKCLSXRA-PWSUYJOCSA-N 0 3 248.326 1.630 20 10 BDCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CCCNC2=O)c1 ZINC000050394924 384621760 /nfs/dbraw/zinc/62/17/60/384621760.db2.gz SMJBGLWKCLSXRA-PWSUYJOCSA-N 0 3 248.326 1.630 20 10 BDCDHN CC[C@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000020195337 384593673 /nfs/dbraw/zinc/59/36/73/384593673.db2.gz MBOKSNBRCAFLER-NXEZZACHSA-N 0 3 239.315 1.822 20 10 BDCDHN C[C@@H]([NH2+]Cc1cncn1C)c1ccccc1[O-] ZINC000271722141 384636605 /nfs/dbraw/zinc/63/66/05/384636605.db2.gz YCXITRLCRPMZHO-SNVBAGLBSA-N 0 3 231.299 1.977 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)c([O-])c1 ZINC000083219200 384751310 /nfs/dbraw/zinc/75/13/10/384751310.db2.gz DMCHHMIEBFEDPQ-GHMZBOCLSA-N 0 3 223.316 1.980 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1[O-] ZINC000084061471 384832497 /nfs/dbraw/zinc/83/24/97/384832497.db2.gz MJMJXDGJRCWKJL-WDEREUQCSA-N 0 3 248.326 1.664 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1[O-] ZINC000084061480 384832815 /nfs/dbraw/zinc/83/28/15/384832815.db2.gz MJMJXDGJRCWKJL-GHMZBOCLSA-N 0 3 248.326 1.664 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000128112733 384996649 /nfs/dbraw/zinc/99/66/49/384996649.db2.gz FVGLOUWQJLPNTB-STQMWFEESA-N 0 3 235.327 1.950 20 10 BDCDHN CSC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000188058295 385006645 /nfs/dbraw/zinc/00/66/45/385006645.db2.gz PIDAIOCMMSKTKQ-LLVKDONJSA-N 0 3 241.356 1.548 20 10 BDCDHN CSC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000188058295 385006653 /nfs/dbraw/zinc/00/66/53/385006653.db2.gz PIDAIOCMMSKTKQ-LLVKDONJSA-N 0 3 241.356 1.548 20 10 BDCDHN CN(C)c1ccc(CN(C)CC2(CO)CC2)cc1 ZINC000188960851 385108651 /nfs/dbraw/zinc/10/86/51/385108651.db2.gz GIVGNZKPKNVXFE-UHFFFAOYSA-N 0 3 248.370 1.957 20 10 BDCDHN CC[C@@H](C(N)=O)N(C)Cc1ccccc1O ZINC000109770434 385189960 /nfs/dbraw/zinc/18/99/60/385189960.db2.gz OLBXDVSSQBLNJF-JTQLQIEISA-N 0 3 222.288 1.088 20 10 BDCDHN CC[C@H]([NH2+][C@H](CO)COC)c1ccccc1[O-] ZINC000234035020 385269957 /nfs/dbraw/zinc/26/99/57/385269957.db2.gz KESVOTAXZBYOJP-PWSUYJOCSA-N 0 3 239.315 1.440 20 10 BDCDHN C[C@@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000120127348 385271857 /nfs/dbraw/zinc/27/18/57/385271857.db2.gz RJFVTHSSYYIZLO-GFCCVEGCSA-N 0 3 207.273 1.661 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]C[C@@H](C)OC)c1 ZINC000191146042 385287042 /nfs/dbraw/zinc/28/70/42/385287042.db2.gz GESCZHJNVUUZIG-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCC[C@H](C)O)c1 ZINC000227952039 386523724 /nfs/dbraw/zinc/52/37/24/386523724.db2.gz NNIQNFQNPIBZAY-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN CN(C)c1ccc(CN2C[C@@H](O)C3(CC3)C2)cc1 ZINC000373513715 387377230 /nfs/dbraw/zinc/37/72/30/387377230.db2.gz DAOVGGNPFGABTI-CQSZACIVSA-N 0 3 246.354 1.709 20 10 BDCDHN CC[C@](C)(CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000080886477 388003495 /nfs/dbraw/zinc/00/34/95/388003495.db2.gz UUSDUJLDWSGFOG-CYBMUJFWSA-N 0 3 239.315 1.651 20 10 BDCDHN CCN(C)C(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296418647 388422843 /nfs/dbraw/zinc/42/28/43/388422843.db2.gz LIHCTINGXZOHQK-NSHDSACASA-N 0 3 248.326 1.447 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1[O-] ZINC000367688258 388566294 /nfs/dbraw/zinc/56/62/94/388566294.db2.gz MKZSKZIGPMVZKI-XYJRDEOASA-N 0 3 233.311 1.935 20 10 BDCDHN C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000164490449 397998088 /nfs/dbraw/zinc/99/80/88/397998088.db2.gz LAYSUMWEBRFCOO-PUTJDCORSA-N 0 3 241.356 1.810 20 10 BDCDHN CNC(=O)CCNCc1ccc(OC)c(C)c1 ZINC000044990160 409872941 /nfs/dbraw/zinc/87/29/41/409872941.db2.gz DXVUHRQWNDWSMG-UHFFFAOYSA-N 0 3 236.315 1.229 20 10 BDCDHN CC(C)NC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000134491806 167044877 /nfs/dbraw/zinc/04/48/77/167044877.db2.gz GHXRRNUVKAZAEA-UHFFFAOYSA-N 0 3 236.315 1.397 20 10 BDCDHN CC(C)[C@@H](CCO)[NH2+]Cc1ccccc1[O-] ZINC000164859694 167392844 /nfs/dbraw/zinc/39/28/44/167392844.db2.gz WXQBMMVYGOVYEV-GFCCVEGCSA-N 0 3 223.316 1.889 20 10 BDCDHN CCOCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000019962929 170381504 /nfs/dbraw/zinc/38/15/04/170381504.db2.gz CLBCMFPVDFIOQH-UHFFFAOYSA-N 0 3 239.315 1.917 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000020194908 170843012 /nfs/dbraw/zinc/84/30/12/170843012.db2.gz PFCWRTFIVYPSDM-ZJUUUORDSA-N 0 3 209.289 1.814 20 10 BDCDHN CC[C@@](C)(CO)[NH2+]Cc1cccc(OC)c1[O-] ZINC000080886476 171171510 /nfs/dbraw/zinc/17/15/10/171171510.db2.gz UUSDUJLDWSGFOG-ZDUSSCGKSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCOC2)c1 ZINC000037738331 175159126 /nfs/dbraw/zinc/15/91/26/175159126.db2.gz SIFKFWMOXHDSLH-SNVBAGLBSA-N 0 3 237.299 1.527 20 10 BDCDHN COc1cccc(C[NH2+]CCn2ccnc2)c1[O-] ZINC000041119122 175264459 /nfs/dbraw/zinc/26/44/59/175264459.db2.gz OUCLSMRSSPSATM-UHFFFAOYSA-N 0 3 247.298 1.387 20 10 BDCDHN COc1cccc(C[NH2+]C[C@H](O)C2CC2)c1[O-] ZINC000071299566 175265499 /nfs/dbraw/zinc/26/54/99/175265499.db2.gz LWABOBRPCLWZKV-NSHDSACASA-N 0 3 237.299 1.261 20 10 BDCDHN COc1cccc(C[NH2+][C@H](C)[C@H](C)OC)c1[O-] ZINC000289739767 175267964 /nfs/dbraw/zinc/26/79/64/175267964.db2.gz HKNJXTOKHNKFBH-ZJUUUORDSA-N 0 3 239.315 1.914 20 10 BDCDHN C[C@H]1COCC[N@H+](Cc2ccccc2[O-])C1 ZINC000369450279 177288442 /nfs/dbraw/zinc/28/84/42/177288442.db2.gz CJGUVPJQMVVUJQ-LLVKDONJSA-N 0 3 221.300 1.861 20 10 BDCDHN C[C@H]1COCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000369450279 177288443 /nfs/dbraw/zinc/28/84/43/177288443.db2.gz CJGUVPJQMVVUJQ-LLVKDONJSA-N 0 3 221.300 1.861 20 10 BDCDHN C[NH2+]C[C@H](C)NCc1c([O-])cccc1OC ZINC000853248715 588729032 /nfs/dbraw/zinc/72/90/32/588729032.db2.gz IVWYSDLXQDSXSR-VIFPVBQESA-N 0 3 224.304 1.098 20 10 BDCDHN C[NH2+]C[C@H](C)N[C@H](C)c1cc(F)ccc1[O-] ZINC000854231699 588781248 /nfs/dbraw/zinc/78/12/48/588781248.db2.gz JYUAWASRADADPQ-DTWKUNHWSA-N 0 3 226.295 1.790 20 10 BDCDHN C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(F)cc1[O-] ZINC000854231102 588781277 /nfs/dbraw/zinc/78/12/77/588781277.db2.gz DTCFXQOFXRBPGM-IUCAKERBSA-N 0 3 226.295 1.790 20 10 BDCDHN CNC[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000854231102 588781278 /nfs/dbraw/zinc/78/12/78/588781278.db2.gz DTCFXQOFXRBPGM-IUCAKERBSA-N 0 3 226.295 1.790 20 10 BDCDHN CCOc1cccc(C[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000850417685 582915288 /nfs/dbraw/zinc/91/52/88/582915288.db2.gz HVRJRLIYNBUUSV-XYPYZODXSA-N 0 3 237.299 1.404 20 10 BDCDHN CC(=O)OC[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000892792710 582983613 /nfs/dbraw/zinc/98/36/13/582983613.db2.gz UEXRAYXWEDQQHN-SECBINFHSA-N 0 3 223.272 1.433 20 10 BDCDHN CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000857068628 588886162 /nfs/dbraw/zinc/88/61/62/588886162.db2.gz CEXZZVYBYRHXCL-CYBMUJFWSA-N 0 3 248.326 1.411 20 10 BDCDHN CC[C@@H](C[NH2+]Cc1ccccc1[O-])C(=O)OC ZINC000895119247 583593093 /nfs/dbraw/zinc/59/30/93/583593093.db2.gz BKFOJHTWILXMOA-JTQLQIEISA-N 0 3 237.299 1.681 20 10 BDCDHN COc1cc(C)cc(CNC/C=C/CO)c1O ZINC000895249063 583631968 /nfs/dbraw/zinc/63/19/68/583631968.db2.gz ZLPZWTRGRCIKPE-ONEGZZNKSA-N 0 3 237.299 1.347 20 10 BDCDHN CCOc1cccc(CN2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895647078 583699073 /nfs/dbraw/zinc/69/90/73/583699073.db2.gz JPOAANNJSGQUEF-BXUZGUMPSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000895647078 583699074 /nfs/dbraw/zinc/69/90/74/583699074.db2.gz JPOAANNJSGQUEF-BXUZGUMPSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1cccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1[O-] ZINC000895647078 583699075 /nfs/dbraw/zinc/69/90/75/583699075.db2.gz JPOAANNJSGQUEF-BXUZGUMPSA-N 0 3 249.310 1.358 20 10 BDCDHN CCN1CC[C@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000895671768 583706774 /nfs/dbraw/zinc/70/67/74/583706774.db2.gz OGOJJUUUSWDUIW-LBPRGKRZSA-N 0 3 234.343 1.884 20 10 BDCDHN COC(OC)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000895789309 583727861 /nfs/dbraw/zinc/72/78/61/583727861.db2.gz JKCFTOYSGNIHJE-JTQLQIEISA-N 0 3 239.315 1.798 20 10 BDCDHN CC(=O)OC[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000895852227 583736951 /nfs/dbraw/zinc/73/69/51/583736951.db2.gz RUAOOHHROVOEAM-VHSXEESVSA-N 0 3 237.299 1.994 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1ccccc1[O-] ZINC000120856262 583850438 /nfs/dbraw/zinc/85/04/38/583850438.db2.gz AHWDXIFYPVROOO-KOLCDFICSA-N 0 3 234.299 1.274 20 10 BDCDHN CCOC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000896961870 583865202 /nfs/dbraw/zinc/86/52/02/583865202.db2.gz GMBBMIWOSQGKDZ-GFCCVEGCSA-N 0 3 249.310 1.777 20 10 BDCDHN CCOC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000896961870 583865205 /nfs/dbraw/zinc/86/52/05/583865205.db2.gz GMBBMIWOSQGKDZ-GFCCVEGCSA-N 0 3 249.310 1.777 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000897675611 584035215 /nfs/dbraw/zinc/03/52/15/584035215.db2.gz AUWIAENZJMZSSZ-GWCFXTLKSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000897675611 584035216 /nfs/dbraw/zinc/03/52/16/584035216.db2.gz AUWIAENZJMZSSZ-GWCFXTLKSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1C ZINC000897683426 584040446 /nfs/dbraw/zinc/04/04/46/584040446.db2.gz DDSRVAHVOJHRFF-FZMZJTMJSA-N 0 3 235.327 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1C ZINC000897683426 584040448 /nfs/dbraw/zinc/04/04/48/584040448.db2.gz DDSRVAHVOJHRFF-FZMZJTMJSA-N 0 3 235.327 1.822 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000897684684 584040482 /nfs/dbraw/zinc/04/04/82/584040482.db2.gz VDMZRTZDZTXBSP-JOYOIKCWSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897684684 584040484 /nfs/dbraw/zinc/04/04/84/584040484.db2.gz VDMZRTZDZTXBSP-JOYOIKCWSA-N 0 3 237.299 1.213 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897812851 584047262 /nfs/dbraw/zinc/04/72/62/584047262.db2.gz FWLGYAZJOFZINR-KQFRYOBMSA-N 0 3 245.322 1.966 20 10 BDCDHN Cc1ccc(C[NH2+][C@]2(C)CCNC2=O)c([O-])c1 ZINC000897866610 584054966 /nfs/dbraw/zinc/05/49/66/584054966.db2.gz DPWDTOPKVLFBKQ-CYBMUJFWSA-N 0 3 234.299 1.069 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C2CC(CCO)C2)c1 ZINC000898007726 584070736 /nfs/dbraw/zinc/07/07/36/584070736.db2.gz FQGGNIMBZWKOQQ-UHFFFAOYSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c([O-])c1 ZINC000858494651 588960450 /nfs/dbraw/zinc/96/04/50/588960450.db2.gz MBNFLZPEEPBSGG-DCAQKATOSA-N 0 3 248.326 1.615 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCCON)c1 ZINC000902425337 584593942 /nfs/dbraw/zinc/59/39/42/584593942.db2.gz MGXVNHUYUWRIJP-JTQLQIEISA-N 0 3 224.304 1.632 20 10 BDCDHN CC[C@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732229332 584934691 /nfs/dbraw/zinc/93/46/91/584934691.db2.gz RGGGFYMBIOHCPL-ZDUSSCGKSA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@@H]([NH2+]C1CCNCC1)c1ccccc1[O-] ZINC000817936704 584991643 /nfs/dbraw/zinc/99/16/43/584991643.db2.gz QCWHHMJSBHJMIP-SNVBAGLBSA-N 0 3 220.316 1.795 20 10 BDCDHN C[C@@H]([NH2+]CC1(N)CCC1)c1ccccc1[O-] ZINC000817965576 584993277 /nfs/dbraw/zinc/99/32/77/584993277.db2.gz XWEYINIHASEUJJ-SNVBAGLBSA-N 0 3 220.316 1.924 20 10 BDCDHN Cc1cccc(CN2CC(C)(CO)C2)c1O ZINC000839145567 585092306 /nfs/dbraw/zinc/09/23/06/585092306.db2.gz OGPPGHGTDLBUIN-UHFFFAOYSA-N 0 3 221.300 1.515 20 10 BDCDHN CCOc1ccc(C[N@H+](C)CCOC)c([O-])c1 ZINC000768240771 585534321 /nfs/dbraw/zinc/53/43/21/585534321.db2.gz FMHVYTDQEQJSJN-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CCOc1ccc(C[N@@H+](C)CCOC)c([O-])c1 ZINC000768240771 585534322 /nfs/dbraw/zinc/53/43/22/585534322.db2.gz FMHVYTDQEQJSJN-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CCOc1ccc(C[N@@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC000768238382 585534525 /nfs/dbraw/zinc/53/45/25/585534525.db2.gz ZCIJCJORUUHJEV-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN CCOc1ccc(C[N@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC000768238382 585534526 /nfs/dbraw/zinc/53/45/26/585534526.db2.gz ZCIJCJORUUHJEV-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465787 585539022 /nfs/dbraw/zinc/53/90/22/585539022.db2.gz LHKXTFYXLQIWMY-TVQRCGJNSA-N 0 3 249.310 1.802 20 10 BDCDHN C[C@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465787 585539023 /nfs/dbraw/zinc/53/90/23/585539023.db2.gz LHKXTFYXLQIWMY-TVQRCGJNSA-N 0 3 249.310 1.802 20 10 BDCDHN CN(C)C1(C(=O)NCc2ccccc2O)CCC1 ZINC000769365032 585554787 /nfs/dbraw/zinc/55/47/87/585554787.db2.gz MODJDNQWQNPKQU-UHFFFAOYSA-N 0 3 248.326 1.493 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H](C)O ZINC000776521272 585700064 /nfs/dbraw/zinc/70/00/64/585700064.db2.gz OLDSYTPAMGMXSQ-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H](C)O ZINC000776521272 585700065 /nfs/dbraw/zinc/70/00/65/585700065.db2.gz OLDSYTPAMGMXSQ-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H]1CCO ZINC000779201200 585746928 /nfs/dbraw/zinc/74/69/28/585746928.db2.gz BQTYFDZAXVHLGZ-GFCCVEGCSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H]1CCO ZINC000779201200 585746929 /nfs/dbraw/zinc/74/69/29/585746929.db2.gz BQTYFDZAXVHLGZ-GFCCVEGCSA-N 0 3 239.290 1.878 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1[O-] ZINC000783744652 585841833 /nfs/dbraw/zinc/84/18/33/585841833.db2.gz SXYJTZBFYABHGH-GXTWGEPZSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1[O-] ZINC000783744652 585841834 /nfs/dbraw/zinc/84/18/34/585841834.db2.gz SXYJTZBFYABHGH-GXTWGEPZSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788266910 585920380 /nfs/dbraw/zinc/92/03/80/585920380.db2.gz CXUXWLXMQHACHS-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788266910 585920381 /nfs/dbraw/zinc/92/03/81/585920381.db2.gz CXUXWLXMQHACHS-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788270961 585920448 /nfs/dbraw/zinc/92/04/48/585920448.db2.gz XPABBELVVIWMFU-ONGXEEELSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788270961 585920449 /nfs/dbraw/zinc/92/04/49/585920449.db2.gz XPABBELVVIWMFU-ONGXEEELSA-N 0 3 237.299 1.356 20 10 BDCDHN CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000793820159 586026880 /nfs/dbraw/zinc/02/68/80/586026880.db2.gz KLLDDXKGDQJCTA-ZWNOBZJWSA-N 0 3 249.310 1.802 20 10 BDCDHN CC[C@@H]1CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000793820159 586026881 /nfs/dbraw/zinc/02/68/81/586026881.db2.gz KLLDDXKGDQJCTA-ZWNOBZJWSA-N 0 3 249.310 1.802 20 10 BDCDHN CC[C@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000793820155 586026949 /nfs/dbraw/zinc/02/69/49/586026949.db2.gz KLLDDXKGDQJCTA-GXFFZTMASA-N 0 3 249.310 1.802 20 10 BDCDHN CC[C@H]1CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000793820155 586026950 /nfs/dbraw/zinc/02/69/50/586026950.db2.gz KLLDDXKGDQJCTA-GXFFZTMASA-N 0 3 249.310 1.802 20 10 BDCDHN CC1CN(Cc2ccc(N3CCOCC3)cc2)C1 ZINC000802650831 586307954 /nfs/dbraw/zinc/30/79/54/586307954.db2.gz BPBNPPAXHKXLQC-UHFFFAOYSA-N 0 3 246.354 1.975 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H](C)OC ZINC000809717037 586514466 /nfs/dbraw/zinc/51/44/66/586514466.db2.gz CCTXCWNQQDZBCN-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H](C)OC ZINC000809717037 586514467 /nfs/dbraw/zinc/51/44/67/586514467.db2.gz CCTXCWNQQDZBCN-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN CN1C[C@H]2CC[N@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC000814172865 586615633 /nfs/dbraw/zinc/61/56/33/586615633.db2.gz BXRBGQLEWYADTF-YPMHNXCESA-N 0 3 232.327 1.528 20 10 BDCDHN CN1C[C@H]2CC[N@@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC000814172865 586615634 /nfs/dbraw/zinc/61/56/34/586615634.db2.gz BXRBGQLEWYADTF-YPMHNXCESA-N 0 3 232.327 1.528 20 10 BDCDHN CC[C@@H]([NH2+]CCCN)c1ccc(F)cc1[O-] ZINC000817938645 586844530 /nfs/dbraw/zinc/84/45/30/586844530.db2.gz OVKAEABSQZLWNG-LLVKDONJSA-N 0 3 226.295 1.921 20 10 BDCDHN CC[NH2+]CCN[C@H](C)c1cc(F)ccc1[O-] ZINC000817951978 586848188 /nfs/dbraw/zinc/84/81/88/586848188.db2.gz MJQRQAZMDYCTIT-SECBINFHSA-N 0 3 226.295 1.791 20 10 BDCDHN [O-]c1cccc2c1[C@H](NC[C@H]1CCC[NH2+]1)CC2 ZINC000817953603 586849465 /nfs/dbraw/zinc/84/94/65/586849465.db2.gz OXXXQNLHKJOAEM-VXGBXAGGSA-N 0 3 232.327 1.721 20 10 BDCDHN CC[C@@H]([NH2+][C@@H](C)CN)c1ccc(F)cc1[O-] ZINC000817970189 586857857 /nfs/dbraw/zinc/85/78/57/586857857.db2.gz NSIQBHHHRDHMIB-GZMMTYOYSA-N 0 3 226.295 1.919 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)O1 ZINC000821390905 587116145 /nfs/dbraw/zinc/11/61/45/587116145.db2.gz FRVUHOANXWLDGQ-NSHDSACASA-N 0 3 235.283 1.530 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1CCC(=O)O1 ZINC000821390905 587116147 /nfs/dbraw/zinc/11/61/47/587116147.db2.gz FRVUHOANXWLDGQ-NSHDSACASA-N 0 3 235.283 1.530 20 10 BDCDHN CN1CC[C@@H]2C[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000824893111 587292125 /nfs/dbraw/zinc/29/21/25/587292125.db2.gz KGKVPNFOPYEGLX-YPMHNXCESA-N 0 3 232.327 1.528 20 10 BDCDHN CN1CC[C@@H]2C[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000824893111 587292126 /nfs/dbraw/zinc/29/21/26/587292126.db2.gz KGKVPNFOPYEGLX-YPMHNXCESA-N 0 3 232.327 1.528 20 10 BDCDHN C[C@@H]1C[NH+](Cc2ccccc2[O-])C[C@@H](C)C1O ZINC000827151970 587371482 /nfs/dbraw/zinc/37/14/82/587371482.db2.gz OISOFLGMNNNAEE-GHMZBOCLSA-N 0 3 235.327 1.841 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CCC2(COC2)C1 ZINC000827643006 587393795 /nfs/dbraw/zinc/39/37/95/587393795.db2.gz DNQFDSFPTRQEAD-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CCC2(COC2)C1 ZINC000827643006 587393797 /nfs/dbraw/zinc/39/37/97/587393797.db2.gz DNQFDSFPTRQEAD-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN Nc1ccc(NC(=O)[C@@H](N)CC(F)F)cc1 ZINC000832244013 587652276 /nfs/dbraw/zinc/65/22/76/587652276.db2.gz FDZCZZCBFUYEEF-QMMMGPOBSA-N 0 3 229.230 1.190 20 10 BDCDHN C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1[O-] ZINC000834907736 587770307 /nfs/dbraw/zinc/77/03/07/587770307.db2.gz AZZKJIDDABMXSU-QMTHXVAHSA-N 0 3 248.326 1.712 20 10 BDCDHN Cc1cc(CNCCc2ccc(N)cc2)nn1C ZINC000841038180 587937713 /nfs/dbraw/zinc/93/77/13/587937713.db2.gz GVOVVMRJFBNJSF-UHFFFAOYSA-N 0 3 244.342 1.643 20 10 BDCDHN C[C@@H](N)[C@@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841080720 587942721 /nfs/dbraw/zinc/94/27/21/587942721.db2.gz QFVUSOVYXAYLSC-HTQZYQBOSA-N 0 3 228.723 1.871 20 10 BDCDHN [NH3+]CC[C@@H](NCc1ccccc1[O-])C(F)F ZINC000841073261 587943868 /nfs/dbraw/zinc/94/38/68/587943868.db2.gz GKVDUJYSDMTNNK-SECBINFHSA-N 0 3 230.258 1.464 20 10 BDCDHN C[C@@H]1CCN[C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000841846484 587977190 /nfs/dbraw/zinc/97/71/90/587977190.db2.gz OYXOIHZAAPBHGV-SKDRFNHKSA-N 0 3 233.315 1.595 20 10 BDCDHN COc1cccc([O-])c1CN1CCC[NH2+]CC1 ZINC000843047690 588076317 /nfs/dbraw/zinc/07/63/17/588076317.db2.gz VQJIQODKNIXVAU-UHFFFAOYSA-N 0 3 236.315 1.196 20 10 BDCDHN CCOc1ccc(CN(C)CC[NH2+]C)c([O-])c1 ZINC000843057717 588078158 /nfs/dbraw/zinc/07/81/58/588078158.db2.gz RVXMEIFOUHMKNF-UHFFFAOYSA-N 0 3 238.331 1.442 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)[C@H](C)CCO)c1 ZINC000846110143 588257111 /nfs/dbraw/zinc/25/71/11/588257111.db2.gz HUPXQCVMBYXLTM-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)[C@H](C)CCO)c1 ZINC000846110143 588257112 /nfs/dbraw/zinc/25/71/12/588257112.db2.gz HUPXQCVMBYXLTM-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)CCO ZINC000846111894 588257172 /nfs/dbraw/zinc/25/71/72/588257172.db2.gz RWSUWEZFHJWZPJ-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)CCO ZINC000846111894 588257173 /nfs/dbraw/zinc/25/71/73/588257173.db2.gz RWSUWEZFHJWZPJ-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)[C@H](C)CCO)c1 ZINC000846111440 588257297 /nfs/dbraw/zinc/25/72/97/588257297.db2.gz OZYXHNRNKZCPFQ-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](C)CCO)c1 ZINC000846111440 588257298 /nfs/dbraw/zinc/25/72/98/588257298.db2.gz OZYXHNRNKZCPFQ-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@@H](C)CCO)c1[O-] ZINC000846148456 588258745 /nfs/dbraw/zinc/25/87/45/588258745.db2.gz ZQIAZJMAXXYUFA-VHSXEESVSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]CC[C@H](C)O)c1[O-] ZINC000846147949 588258890 /nfs/dbraw/zinc/25/88/90/588258890.db2.gz WFSPZEKLITUWHP-VHSXEESVSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000846175350 588259357 /nfs/dbraw/zinc/25/93/57/588259357.db2.gz YQOWLHAQYUURLD-FBIMIBRVSA-N 0 3 237.299 1.575 20 10 BDCDHN CCc1cccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1[O-] ZINC000848919638 588420639 /nfs/dbraw/zinc/42/06/39/588420639.db2.gz OTLULYHSWDKIPL-TXEJJXNPSA-N 0 3 248.326 1.308 20 10 BDCDHN C[C@H](O)C[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000848929744 588422098 /nfs/dbraw/zinc/42/20/98/588422098.db2.gz ZMILPRWUJUBOCW-VIFPVBQESA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@H](O)C[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000848929744 588422099 /nfs/dbraw/zinc/42/20/99/588422099.db2.gz ZMILPRWUJUBOCW-VIFPVBQESA-N 0 3 239.290 1.877 20 10 BDCDHN COc1cccc(CNC(=[NH2+])NC(C)C)c1[O-] ZINC000849002923 588431204 /nfs/dbraw/zinc/43/12/04/588431204.db2.gz ZYAWYIKEYAWHCU-UHFFFAOYSA-N 0 3 237.303 1.423 20 10 BDCDHN COc1cccc(CNC(=[NH2+])NC2CCC2)c1[O-] ZINC000849002669 588431325 /nfs/dbraw/zinc/43/13/25/588431325.db2.gz OMXKKZSAHLVRFI-UHFFFAOYSA-N 0 3 249.314 1.567 20 10 BDCDHN CCCNC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849024888 588440161 /nfs/dbraw/zinc/44/01/61/588440161.db2.gz DISJSNCCRJCWRD-UHFFFAOYSA-N 0 3 237.303 1.425 20 10 BDCDHN CN(C)c1ccc(/C=C/CNC/C=C/CO)cc1 ZINC000850358047 588539124 /nfs/dbraw/zinc/53/91/24/588539124.db2.gz ZYEWQRXIXVAUCJ-VNKDHWASSA-N 0 3 246.354 1.904 20 10 BDCDHN CON(C)CC[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000850478984 588550558 /nfs/dbraw/zinc/55/05/58/588550558.db2.gz JGRGCPVILFECPJ-LLVKDONJSA-N 0 3 238.331 1.844 20 10 BDCDHN CC[C@@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000850529785 588557692 /nfs/dbraw/zinc/55/76/92/588557692.db2.gz SZFVJTDKMJNOGK-VHSXEESVSA-N 0 3 239.315 1.822 20 10 BDCDHN CC[C@H](NC)C(=O)Nc1ccc(N)cc1 ZINC000852790857 588701928 /nfs/dbraw/zinc/70/19/28/588701928.db2.gz UZHZZLGOIDEYLH-JTQLQIEISA-N 0 3 207.277 1.205 20 10 BDCDHN CC[N@H+](CCN)Cc1cccc(F)c1[O-] ZINC000863644528 589306684 /nfs/dbraw/zinc/30/66/84/589306684.db2.gz ZIRIHGNBZYPXTG-UHFFFAOYSA-N 0 3 212.268 1.312 20 10 BDCDHN CC[N@@H+](CCN)Cc1cccc(F)c1[O-] ZINC000863644528 589306685 /nfs/dbraw/zinc/30/66/85/589306685.db2.gz ZIRIHGNBZYPXTG-UHFFFAOYSA-N 0 3 212.268 1.312 20 10 BDCDHN CCN(CC[NH3+])Cc1cccc(F)c1[O-] ZINC000863644528 589306686 /nfs/dbraw/zinc/30/66/86/589306686.db2.gz ZIRIHGNBZYPXTG-UHFFFAOYSA-N 0 3 212.268 1.312 20 10 BDCDHN CO[C@]1(C[NH2+]Cc2ccccc2[O-])CCOC1 ZINC000122961308 589645982 /nfs/dbraw/zinc/64/59/82/589645982.db2.gz XSBIVXDZLSJNFO-ZDUSSCGKSA-N 0 3 237.299 1.287 20 10 BDCDHN CC[S@@](=O)CC[NH2+]Cc1ccccc1[O-] ZINC000123680378 589765760 /nfs/dbraw/zinc/76/57/60/589765760.db2.gz MINWTAQVDORXTB-HNNXBMFYSA-N 0 3 227.329 1.250 20 10 BDCDHN O=C1OCC[C@H]1CCC[NH2+]Cc1ccccc1[O-] ZINC000873162887 589989381 /nfs/dbraw/zinc/98/93/81/589989381.db2.gz QCVOFCDFENPSGW-LLVKDONJSA-N 0 3 249.310 1.825 20 10 BDCDHN COc1cccc([O-])c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873215991 589998228 /nfs/dbraw/zinc/99/82/28/589998228.db2.gz HQMOZPCEINNFID-PHIMTYICSA-N 0 3 248.326 1.337 20 10 BDCDHN [O-]c1ccccc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229692 590001690 /nfs/dbraw/zinc/00/16/90/590001690.db2.gz DVJZGEWFALIQDO-UONOGXRCSA-N 0 3 232.327 1.766 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@H]1O ZINC000876815176 590245950 /nfs/dbraw/zinc/24/59/50/590245950.db2.gz NMDXWJLVJMEFJM-SMDDNHRTSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@H]1O ZINC000876815176 590245951 /nfs/dbraw/zinc/24/59/51/590245951.db2.gz NMDXWJLVJMEFJM-SMDDNHRTSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000876915367 590256263 /nfs/dbraw/zinc/25/62/63/590256263.db2.gz QIZBPBHQUBRDSE-CYBMUJFWSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C)C1 ZINC000877019730 590269986 /nfs/dbraw/zinc/26/99/86/590269986.db2.gz QACMBRFMRGQSAU-NSHDSACASA-N 0 3 220.316 1.494 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](CO)C2CC2)c([O-])c1 ZINC000877045540 590273851 /nfs/dbraw/zinc/27/38/51/590273851.db2.gz XWRNEMMBAPFGGD-LBPRGKRZSA-N 0 3 221.300 1.561 20 10 BDCDHN CC(C)CC[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877074760 590278392 /nfs/dbraw/zinc/27/83/92/590278392.db2.gz RYSHBTGMJGXSGP-CYBMUJFWSA-N 0 3 249.358 1.995 20 10 BDCDHN CN(C(=O)C1(N)CCCCC1)c1ccc(N)cc1 ZINC000877079059 590279683 /nfs/dbraw/zinc/27/96/83/590279683.db2.gz OPVSDCVBNYOKBO-UHFFFAOYSA-N 0 3 247.342 1.893 20 10 BDCDHN Cc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)c([O-])c1 ZINC000877126811 590289924 /nfs/dbraw/zinc/28/99/24/590289924.db2.gz TVQUMQGZPJHQNY-SNVBAGLBSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1ccc(C[NH2+]C(C)(C)[C@H](C)O)c([O-])c1 ZINC000877126810 590290150 /nfs/dbraw/zinc/29/01/50/590290150.db2.gz TVQUMQGZPJHQNY-JTQLQIEISA-N 0 3 223.316 1.950 20 10 BDCDHN CCNC(=O)[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877141572 590291730 /nfs/dbraw/zinc/29/17/30/590291730.db2.gz AGVXUXTVNBZYSM-JTQLQIEISA-N 0 3 236.315 1.315 20 10 BDCDHN CCNCC(=O)N[C@H](C)c1ccccc1O ZINC000877256122 590304461 /nfs/dbraw/zinc/30/44/61/590304461.db2.gz NTDJDVQPIQWOBP-SECBINFHSA-N 0 3 222.288 1.179 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C[S@@](C)=O ZINC000877310526 590312521 /nfs/dbraw/zinc/31/25/21/590312521.db2.gz NQQGBSLUTOYRMO-QLJPJBMISA-N 0 3 241.356 1.557 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCc1ccn(C)n1 ZINC000877352821 590318656 /nfs/dbraw/zinc/31/86/56/590318656.db2.gz DXMHBKXCGOLNLH-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN CO[C@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877463452 590332999 /nfs/dbraw/zinc/33/29/99/590332999.db2.gz DHDVNCIYUYZHOM-SNVBAGLBSA-N 0 3 209.289 1.825 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCN3CCC2CC3)c([O-])c1 ZINC000877527828 590348867 /nfs/dbraw/zinc/34/88/67/590348867.db2.gz WAQXVXNEJRZHCL-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1ccc(C[N@H+]2CCN3CCC2CC3)c([O-])c1 ZINC000877527828 590348870 /nfs/dbraw/zinc/34/88/70/590348870.db2.gz WAQXVXNEJRZHCL-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H](C)O ZINC000877567831 590361878 /nfs/dbraw/zinc/36/18/78/590361878.db2.gz BUIQKSBWIALVJN-CMPLNLGQSA-N 0 3 223.316 1.950 20 10 BDCDHN COCC(COC)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877568492 590361892 /nfs/dbraw/zinc/36/18/92/590361892.db2.gz PCQPYQPVUSAPTP-UHFFFAOYSA-N 0 3 239.315 1.452 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c([O-])c1 ZINC000877575068 590362876 /nfs/dbraw/zinc/36/28/76/590362876.db2.gz FSSSHXJYLPNBMT-CHWSQXEVSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[NH+]2CC(C(C)(C)O)C2)c([O-])c1 ZINC000877581098 590365193 /nfs/dbraw/zinc/36/51/93/590365193.db2.gz NLNQBHKGEJFQSH-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH+]2CC(CCO)C2)c([O-])c1 ZINC000877580965 590365219 /nfs/dbraw/zinc/36/52/19/590365219.db2.gz UEXBZYVIYBWSHF-UHFFFAOYSA-N 0 3 221.300 1.515 20 10 BDCDHN CO[C@@](C)(CO)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877617132 590375062 /nfs/dbraw/zinc/37/50/62/590375062.db2.gz LMEQJFDJIWVQAY-CYBMUJFWSA-N 0 3 239.315 1.188 20 10 BDCDHN CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877647243 590384545 /nfs/dbraw/zinc/38/45/45/590384545.db2.gz UUPRMELGNKLNFT-CYBMUJFWSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(O)c(CNC2(C)COC2)c1 ZINC000877691782 590393243 /nfs/dbraw/zinc/39/32/43/590393243.db2.gz WOQHDSDOUNFQMX-UHFFFAOYSA-N 0 3 207.273 1.579 20 10 BDCDHN COC[C@H](C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877702603 590396136 /nfs/dbraw/zinc/39/61/36/590396136.db2.gz DFKYLZKIRSRUKK-SNVBAGLBSA-N 0 3 221.300 1.990 20 10 BDCDHN COC[C@H](C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877702603 590396138 /nfs/dbraw/zinc/39/61/38/590396138.db2.gz DFKYLZKIRSRUKK-SNVBAGLBSA-N 0 3 221.300 1.990 20 10 BDCDHN Cc1cc(CN2C[C@@H]3C[C@]3(O)C2)ccc1N(C)C ZINC000880420032 591029283 /nfs/dbraw/zinc/02/92/83/591029283.db2.gz WKOMMNAOMZMVLZ-ZFWWWQNUSA-N 0 3 246.354 1.628 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000135560003 592017940 /nfs/dbraw/zinc/01/79/40/592017940.db2.gz NTAGSVITIXLRQH-GFCCVEGCSA-N 0 3 233.267 1.808 20 10 BDCDHN CC(=O)NC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000135652634 592030383 /nfs/dbraw/zinc/03/03/83/592030383.db2.gz BQEKDOLKVIXTEJ-UHFFFAOYSA-N 0 3 248.326 1.493 20 10 BDCDHN [NH3+]C[C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000219733602 592240535 /nfs/dbraw/zinc/24/05/35/592240535.db2.gz VAYMPJVOXRVFIO-JTQLQIEISA-N 0 3 238.306 1.702 20 10 BDCDHN [NH2+]=C(NCc1ccccc1[O-])NCC(F)F ZINC000887348522 592484807 /nfs/dbraw/zinc/48/48/07/592484807.db2.gz MFTXFBNPHJJKOO-UHFFFAOYSA-N 0 3 229.230 1.271 20 10 BDCDHN CSC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000309911880 634039966 /nfs/dbraw/zinc/03/99/66/634039966.db2.gz NDGZLHOAFJPIJB-NXEZZACHSA-N 0 3 241.356 1.767 20 10 BDCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(N)=O ZINC000310005230 634067544 /nfs/dbraw/zinc/06/75/44/634067544.db2.gz GIZSQSNYJJPFJH-WCBMZHEXSA-N 0 3 222.288 1.307 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1CO ZINC000191182621 636702148 /nfs/dbraw/zinc/70/21/48/636702148.db2.gz CYVDFJJFHIDGLN-BXKDBHETSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1CO ZINC000191182621 636702153 /nfs/dbraw/zinc/70/21/53/636702153.db2.gz CYVDFJJFHIDGLN-BXKDBHETSA-N 0 3 239.290 1.734 20 10 BDCDHN CN1CCC([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000083366100 636872942 /nfs/dbraw/zinc/87/29/42/636872942.db2.gz DVKWGADEASJGNA-UHFFFAOYSA-N 0 3 238.306 1.715 20 10 BDCDHN C[C@@H]([NH2+]CCCON)c1cc(F)ccc1[O-] ZINC000902426118 637305272 /nfs/dbraw/zinc/30/52/72/637305272.db2.gz QRGDUQKRLVVONB-MRVPVSSYSA-N 0 3 228.267 1.462 20 10 BDCDHN C[C@@H]([NH2+]CC[S@@](C)=O)c1ccccc1[O-] ZINC000163980617 640430198 /nfs/dbraw/zinc/43/01/98/640430198.db2.gz JBMCWKXQRIBUDW-PSLIRLAXSA-N 0 3 227.329 1.421 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCO2)c([O-])c1 ZINC000083351376 640682404 /nfs/dbraw/zinc/68/24/04/640682404.db2.gz VWPMPZYUZZIETO-GFCCVEGCSA-N 0 3 221.300 1.969 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000226615803 640779991 /nfs/dbraw/zinc/77/99/91/640779991.db2.gz ZNCOWWBTNQLBHB-WZRBSPASSA-N 0 3 237.274 1.941 20 10 BDCDHN O=C1C[C@@H]([NH2+]Cc2ccccc2[O-])CCCN1 ZINC000228415488 640874295 /nfs/dbraw/zinc/87/42/95/640874295.db2.gz CHBZKUSBUJUVSO-NSHDSACASA-N 0 3 234.299 1.151 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCn1cccn1 ZINC000042538651 641553156 /nfs/dbraw/zinc/55/31/56/641553156.db2.gz NQGRKRKPHRFAIC-UHFFFAOYSA-N 0 3 217.272 1.379 20 10 BDCDHN CC[N@H+](CCC(=O)OC)Cc1ccccc1[O-] ZINC000179562367 642725612 /nfs/dbraw/zinc/72/56/12/642725612.db2.gz YDFFIZMFMOZKHS-UHFFFAOYSA-N 0 3 237.299 1.777 20 10 BDCDHN CC[N@@H+](CCC(=O)OC)Cc1ccccc1[O-] ZINC000179562367 642725619 /nfs/dbraw/zinc/72/56/19/642725619.db2.gz YDFFIZMFMOZKHS-UHFFFAOYSA-N 0 3 237.299 1.777 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC000249873249 644743558 /nfs/dbraw/zinc/74/35/58/644743558.db2.gz GNGPUJGEVDVCBG-BXKDBHETSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@H]1O ZINC000249873249 644743565 /nfs/dbraw/zinc/74/35/65/644743565.db2.gz GNGPUJGEVDVCBG-BXKDBHETSA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1[O-] ZINC000824637842 645057524 /nfs/dbraw/zinc/05/75/24/645057524.db2.gz ZYVTXMJWVWEXKQ-STQMWFEESA-N 0 3 235.327 1.985 20 10 BDCDHN CC[C@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1[O-] ZINC000824637842 645057525 /nfs/dbraw/zinc/05/75/25/645057525.db2.gz ZYVTXMJWVWEXKQ-STQMWFEESA-N 0 3 235.327 1.985 20 10 BDCDHN CCOC(=O)/C=C\CN(C)Cc1ccccc1O ZINC000929973197 646381063 /nfs/dbraw/zinc/38/10/63/646381063.db2.gz XZYYQFCNCNMORC-TWGQIWQCSA-N 0 3 249.310 1.943 20 10 BDCDHN C[C@@H](N[C@@H]1CNOC1)c1cc(F)ccc1O ZINC000925862635 646514901 /nfs/dbraw/zinc/51/49/01/646514901.db2.gz WTEYOXGPHMYZLW-VXNVDRBHSA-N 0 3 226.251 1.085 20 10 BDCDHN CC[C@@H](N[C@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925868525 646519882 /nfs/dbraw/zinc/51/98/82/646519882.db2.gz RFBKZLREBVCEEA-GXTWGEPZSA-N 0 3 249.358 1.697 20 10 BDCDHN C[C@H](C[NH3+])N(C)Cc1cc(Cl)ccc1[O-] ZINC000383024968 710976523 /nfs/dbraw/zinc/97/65/23/710976523.db2.gz XSLPJHVSAJEUML-MRVPVSSYSA-N 0 3 228.723 1.825 20 10 BDCDHN CCN1C[C@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC000391480876 711138468 /nfs/dbraw/zinc/13/84/68/711138468.db2.gz OHPKUMSAWBDMHJ-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN O=C1CC[C@@H]([NH2+]Cc2ccccc2[O-])CCN1 ZINC000396649846 711363362 /nfs/dbraw/zinc/36/33/62/711363362.db2.gz JXCNWVSGSCFTME-LLVKDONJSA-N 0 3 234.299 1.151 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccccc1[O-] ZINC000707764252 712177630 /nfs/dbraw/zinc/17/76/30/712177630.db2.gz ZUKHDPDGGBZLLL-CMPLNLGQSA-N 0 3 248.326 1.664 20 10 BDCDHN CO[C@H]1C[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000708661448 712196335 /nfs/dbraw/zinc/19/63/35/712196335.db2.gz GISYIOPHOBHVDG-KLPPZKSPSA-N 0 3 221.300 1.907 20 10 BDCDHN CC[C@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000379212071 712371313 /nfs/dbraw/zinc/37/13/13/712371313.db2.gz FJHDJWYREYHCFS-GWCFXTLKSA-N 0 3 249.358 1.667 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccccc1[O-] ZINC000712537137 712442623 /nfs/dbraw/zinc/44/26/23/712442623.db2.gz AMQNDKUIEYUIMF-MNOVXSKESA-N 0 3 220.316 1.747 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccccc1[O-] ZINC000712537136 712442878 /nfs/dbraw/zinc/44/28/78/712442878.db2.gz AMQNDKUIEYUIMF-GHMZBOCLSA-N 0 3 220.316 1.747 20 10 BDCDHN COC[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000714449287 712489767 /nfs/dbraw/zinc/48/97/67/712489767.db2.gz NWCCLQIAIYPTPB-KLPPZKSPSA-N 0 3 221.300 1.907 20 10 BDCDHN CCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000036780474 712494712 /nfs/dbraw/zinc/49/47/12/712494712.db2.gz KKCJHKFFJXGGRK-SECBINFHSA-N 0 3 222.288 1.179 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716682307 712569802 /nfs/dbraw/zinc/56/98/02/712569802.db2.gz CAWNTUWIYLQABX-SNVBAGLBSA-N 0 3 231.242 1.498 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)C1CCC1 ZINC000717626639 712661663 /nfs/dbraw/zinc/66/16/63/712661663.db2.gz RRLJDKBRVSGPDO-GFCCVEGCSA-N 0 3 239.290 1.782 20 10 BDCDHN C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccccc1[O-] ZINC000718474455 712764975 /nfs/dbraw/zinc/76/49/75/712764975.db2.gz CAIDAZUQQNHPRU-WHXUTIOJSA-N 0 3 248.326 1.697 20 10 BDCDHN C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C ZINC000719621394 712817371 /nfs/dbraw/zinc/81/73/71/712817371.db2.gz ZVVBUEIJJDPUQL-JOYOIKCWSA-N 0 3 238.306 1.714 20 10 BDCDHN COCOCCC[N@H+](C)Cc1ccccc1[O-] ZINC001209032131 969327121 /nfs/dbraw/zinc/32/71/21/969327121.db2.gz NWDFWOAKMFBVCB-UHFFFAOYSA-N 0 3 239.315 1.835 20 10 BDCDHN COCOCCC[N@@H+](C)Cc1ccccc1[O-] ZINC001209032131 969327127 /nfs/dbraw/zinc/32/71/27/969327127.db2.gz NWDFWOAKMFBVCB-UHFFFAOYSA-N 0 3 239.315 1.835 20 10 BDCDHN C[C@@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057788 957506280 /nfs/dbraw/zinc/50/62/80/957506280.db2.gz MIYAYOLPHDHLNT-CYBMUJFWSA-N 0 3 239.290 1.736 20 10 BDCDHN C[C@@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057788 957506290 /nfs/dbraw/zinc/50/62/90/957506290.db2.gz MIYAYOLPHDHLNT-CYBMUJFWSA-N 0 3 239.290 1.736 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724544733 958916064 /nfs/dbraw/zinc/91/60/64/958916064.db2.gz AKSUXCVNOBJTHN-DYEKYZERSA-N 0 3 249.310 1.286 20 10 BDCDHN Cc1c(O)ccc(CN2CC3(CC(O)C3)C2)c1O ZINC001140742766 960544498 /nfs/dbraw/zinc/54/44/98/960544498.db2.gz YJPSZFBALXAWLB-UHFFFAOYSA-N 0 3 249.310 1.363 20 10 BDCDHN Cc1ccc(CN2CC3(COC3)C2)c(O)c1 ZINC001140948570 960748310 /nfs/dbraw/zinc/74/83/10/960748310.db2.gz OPCBGYBBMXSYTF-UHFFFAOYSA-N 0 3 219.284 1.533 20 10 BDCDHN COc1cc(O)c(CN2CC(C)C2)c(OC)c1 ZINC001141031480 960821576 /nfs/dbraw/zinc/82/15/76/960821576.db2.gz GQDIQEZJSXSKDJ-UHFFFAOYSA-N 0 3 237.299 1.861 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC000092764855 961872731 /nfs/dbraw/zinc/87/27/31/961872731.db2.gz FVMCWXKQEQWDSR-JTQLQIEISA-N 0 3 237.299 1.215 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC000092764855 961872736 /nfs/dbraw/zinc/87/27/36/961872736.db2.gz FVMCWXKQEQWDSR-JTQLQIEISA-N 0 3 237.299 1.215 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001203550180 966670501 /nfs/dbraw/zinc/67/05/01/966670501.db2.gz KKYUKIYQHCOWJI-ZYHUDNBSSA-N 0 3 225.263 1.297 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001203550180 966670505 /nfs/dbraw/zinc/67/05/05/966670505.db2.gz KKYUKIYQHCOWJI-ZYHUDNBSSA-N 0 3 225.263 1.297 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCc2nccn2CC1 ZINC001203558484 966687532 /nfs/dbraw/zinc/68/75/32/966687532.db2.gz JQXDQFBDJLTMPF-UHFFFAOYSA-N 0 3 243.310 1.647 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCc2nccn2CC1 ZINC001203558484 966687548 /nfs/dbraw/zinc/68/75/48/966687548.db2.gz JQXDQFBDJLTMPF-UHFFFAOYSA-N 0 3 243.310 1.647 20 10 BDCDHN Oc1ccc(CN2CCC3(COC3)C2)cc1O ZINC001203875386 966805723 /nfs/dbraw/zinc/80/57/23/966805723.db2.gz NFUYWQMAYSUQLA-UHFFFAOYSA-N 0 3 235.283 1.320 20 10 BDCDHN C[C@H]1CC[C@@H](CO)N1Cc1ccc(O)c(O)c1 ZINC001203875320 966805971 /nfs/dbraw/zinc/80/59/71/966805971.db2.gz LJFXJFDUBLBNAM-ONGXEEELSA-N 0 3 237.299 1.443 20 10 BDCDHN Oc1ccc(CN2CC[C@@H]3OCC[C@H]3C2)cc1O ZINC001203880555 966808053 /nfs/dbraw/zinc/80/80/53/966808053.db2.gz VLUQTLYETIABGL-FZMZJTMJSA-N 0 3 249.310 1.709 20 10 BDCDHN C[C@@H]1CN(Cc2ccc(O)c(O)c2)CCN1C ZINC001203882586 966810430 /nfs/dbraw/zinc/81/04/30/966810430.db2.gz MZHFDOUWIIEWAN-SNVBAGLBSA-N 0 3 236.315 1.234 20 10 BDCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@H]2N[C@@H]1CNOC1 ZINC001332880545 975307892 /nfs/dbraw/zinc/30/78/92/975307892.db2.gz WWBASPXVIQSLDM-HBNTYKKESA-N 0 3 248.326 1.742 20 10 BDCDHN CO[C@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233482973 978610995 /nfs/dbraw/zinc/61/09/95/978610995.db2.gz JIMNSNAPPFBOGG-VIFPVBQESA-N 0 3 239.271 1.024 20 10 BDCDHN C[C@@H](C(=O)NCc1ccccc1O)N1CCCC1 ZINC001180584937 978916345 /nfs/dbraw/zinc/91/63/45/978916345.db2.gz MPGXGQCJBNJIBB-NSHDSACASA-N 0 3 248.326 1.493 20 10 BDCDHN CCc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236784050 979733026 /nfs/dbraw/zinc/73/30/26/979733026.db2.gz RLJALSNWSQTWKD-HZMBPMFUSA-N 0 3 235.327 1.767 20 10 BDCDHN CCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001236784050 979733030 /nfs/dbraw/zinc/73/30/30/979733030.db2.gz RLJALSNWSQTWKD-HZMBPMFUSA-N 0 3 235.327 1.767 20 10 BDCDHN CC[C@H]([NH3+])CN(C)Cc1cccc(F)c1[O-] ZINC001236864812 979770661 /nfs/dbraw/zinc/77/06/61/979770661.db2.gz FIWUIRXMIIFPOX-JTQLQIEISA-N 0 3 226.295 1.700 20 10 BDCDHN CC[C@H](C(=O)NCc1ccc(N)cc1)N(C)C ZINC001343474855 980121797 /nfs/dbraw/zinc/12/17/97/980121797.db2.gz ZQZLUPXDFXEWCB-GFCCVEGCSA-N 0 3 235.331 1.225 20 10 BDCDHN COCC1CN(Cc2cc(F)cc(C)c2O)C1 ZINC001238057785 980134586 /nfs/dbraw/zinc/13/45/86/980134586.db2.gz NCXLXGATFFKAOC-UHFFFAOYSA-N 0 3 239.290 1.918 20 10 BDCDHN C[C@@H]([NH2+]CCOCCCO)c1ccccc1[O-] ZINC001345427234 980610534 /nfs/dbraw/zinc/61/05/34/980610534.db2.gz NTPCJFHAKJYVBK-LLVKDONJSA-N 0 3 239.315 1.442 20 10 BDCDHN C[C@H](NC(=O)[C@H](N)CC1CC1)c1ccccc1O ZINC001349817160 981760762 /nfs/dbraw/zinc/76/07/62/981760762.db2.gz HBKNGZQKVSEMIW-JOYOIKCWSA-N 0 3 248.326 1.697 20 10 BDCDHN C[C@H](NC(=O)[C@@H](N)CC1CC1)c1ccccc1O ZINC001349817157 981764806 /nfs/dbraw/zinc/76/48/06/981764806.db2.gz HBKNGZQKVSEMIW-CABZTGNLSA-N 0 3 248.326 1.697 20 10 BDCDHN Cn1ccc(-c2cnc3c(c2)CNCC3)cc1=O ZINC001240989264 982074303 /nfs/dbraw/zinc/07/43/03/982074303.db2.gz VUAJBDNXTSRYNX-UHFFFAOYSA-N 0 3 241.294 1.093 20 10 BDCDHN C[C@@]1(CO)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874524 982553086 /nfs/dbraw/zinc/55/30/86/982553086.db2.gz ADFHCLCCQQTOBB-CYBMUJFWSA-N 0 3 237.299 1.302 20 10 BDCDHN CC[C@H](C)C[C@@H](N)C(=O)NCc1ccc(N)cc1 ZINC001356237803 983590961 /nfs/dbraw/zinc/59/09/61/983590961.db2.gz AXPQFUIMNSBWCN-GXFFZTMASA-N 0 3 249.358 1.649 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C/C=C/CO ZINC000717524647 984211672 /nfs/dbraw/zinc/21/16/72/984211672.db2.gz HGYJGYREWRPNIP-OWOJBTEDSA-N 0 3 211.236 1.169 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1=CCOCC1 ZINC000397808249 986470477 /nfs/dbraw/zinc/47/04/77/986470477.db2.gz HUUHYYHALOZBNR-UHFFFAOYSA-N 0 3 219.284 1.829 20 10 BDCDHN C[C@H](CCO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297575980 398208915 /nfs/dbraw/zinc/20/89/15/398208915.db2.gz GVUVOWXNRPCUOL-KOLCDFICSA-N 0 3 221.300 1.740 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C[C@H](O)C2CC2)cc1C ZINC000266219713 178197639 /nfs/dbraw/zinc/19/76/39/178197639.db2.gz RAFWXPXSAIFYQC-AWEZNQCLSA-N 0 3 235.327 1.870 20 10 BDCDHN CCN(CC)c1ccc(CNC(=O)[C@H](C)N)cc1 ZINC000083381515 398280702 /nfs/dbraw/zinc/28/07/02/398280702.db2.gz SKIKPTIAJPBJAW-NSHDSACASA-N 0 3 249.358 1.496 20 10 BDCDHN COc1ccc(CNC[C@H](C)O)cc1C ZINC000035052333 342882307 /nfs/dbraw/zinc/88/23/07/342882307.db2.gz SXZXRHPWASCLLV-JTQLQIEISA-N 0 3 209.289 1.474 20 10 BDCDHN CN(C)c1ccc(CNCC(=O)NC2CC2)cc1 ZINC000035142460 343286900 /nfs/dbraw/zinc/28/69/00/343286900.db2.gz LXLAUAFRYJSLQZ-UHFFFAOYSA-N 0 3 247.342 1.121 20 10 BDCDHN CN1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000037266936 343342038 /nfs/dbraw/zinc/34/20/38/343342038.db2.gz FVASHSXKCDWULU-UHFFFAOYSA-N 0 3 247.342 1.022 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CCOC1)CC2 ZINC000297092000 136376060 /nfs/dbraw/zinc/37/60/60/136376060.db2.gz XHHOBYKQPULUJF-FZMZJTMJSA-N 0 3 249.310 1.121 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000377852922 179079935 /nfs/dbraw/zinc/07/99/35/179079935.db2.gz VFWZSFRQOOQXJM-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)c1[O-] ZINC000377852922 179079938 /nfs/dbraw/zinc/07/99/38/179079938.db2.gz VFWZSFRQOOQXJM-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2CCCCNC2=O)c1[O-] ZINC000124696607 179097487 /nfs/dbraw/zinc/09/74/87/179097487.db2.gz BKMNULVYKJKWOA-GFCCVEGCSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1cccc(CN[C@@H]2CCCCNC2=O)c1O ZINC000124696607 179097488 /nfs/dbraw/zinc/09/74/88/179097488.db2.gz BKMNULVYKJKWOA-GFCCVEGCSA-N 0 3 248.326 1.459 20 10 BDCDHN CC(C)(O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000274923139 188093817 /nfs/dbraw/zinc/09/38/17/188093817.db2.gz MRKZADDCWHYADK-UHFFFAOYSA-N 0 3 227.279 1.782 20 10 BDCDHN CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000274859948 364757755 /nfs/dbraw/zinc/75/77/55/364757755.db2.gz CQOUTCQKYXWLAW-CMPLNLGQSA-N 0 3 248.326 1.664 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000179912612 183274928 /nfs/dbraw/zinc/27/49/28/183274928.db2.gz XZLVKRIVURVDPU-SNVBAGLBSA-N 0 3 211.236 1.098 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](O)C1 ZINC000179912612 183274930 /nfs/dbraw/zinc/27/49/30/183274930.db2.gz XZLVKRIVURVDPU-SNVBAGLBSA-N 0 3 211.236 1.098 20 10 BDCDHN [O-]c1cc2c(cc1C[NH2+]C1CC1)OCO2 ZINC000042878953 183260509 /nfs/dbraw/zinc/26/05/09/183260509.db2.gz FFCURJCHLKUNBT-UHFFFAOYSA-N 0 3 207.229 1.373 20 10 BDCDHN Oc1cc2c(cc1CNCCF)OCO2 ZINC000280624697 183260982 /nfs/dbraw/zinc/26/09/82/183260982.db2.gz GGFCTNJLSQJMBT-UHFFFAOYSA-N 0 3 213.208 1.180 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCCn1cccn1 ZINC000134479791 183301020 /nfs/dbraw/zinc/30/10/20/183301020.db2.gz MAKDPGAINVREMW-UHFFFAOYSA-N 0 3 231.299 1.769 20 10 BDCDHN CCCNC(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036780985 169228204 /nfs/dbraw/zinc/22/82/04/169228204.db2.gz NGGBGOYUONPNOH-JTQLQIEISA-N 0 3 236.315 1.569 20 10 BDCDHN C[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295809567 383850631 /nfs/dbraw/zinc/85/06/31/383850631.db2.gz CRYGRDVUZQCENP-WCBMZHEXSA-N 0 3 207.273 1.350 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCOCCO)c1 ZINC000035628943 383865132 /nfs/dbraw/zinc/86/51/32/383865132.db2.gz QKBYOPMNURIXRA-LLVKDONJSA-N 0 3 239.315 1.360 20 10 BDCDHN CC[C@H](CCO)C[NH2+]Cc1ccccc1[O-] ZINC000087362654 383831303 /nfs/dbraw/zinc/83/13/03/383831303.db2.gz WRHXDLQILQVKQL-LLVKDONJSA-N 0 3 223.316 1.890 20 10 BDCDHN CC[C@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000070898410 384141449 /nfs/dbraw/zinc/14/14/49/384141449.db2.gz GXOBERAGZZVZAW-GFCCVEGCSA-N 0 3 209.289 1.643 20 10 BDCDHN CN(C)c1ccc(CN[C@H]2CCCNC2=O)cc1 ZINC000050393837 384620776 /nfs/dbraw/zinc/62/07/76/384620776.db2.gz PFUCPARDXNQIIU-ZDUSSCGKSA-N 0 3 247.342 1.121 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000083216063 384751161 /nfs/dbraw/zinc/75/11/61/384751161.db2.gz XZLJDFQLWLQPHY-MNOVXSKESA-N 0 3 223.316 1.980 20 10 BDCDHN CN(Cc1ccccc1O)C(=O)C1(N)CCC1 ZINC000147976677 384865051 /nfs/dbraw/zinc/86/50/51/384865051.db2.gz PJRFMYLCXZJESU-UHFFFAOYSA-N 0 3 234.299 1.232 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000164301136 384957918 /nfs/dbraw/zinc/95/79/18/384957918.db2.gz VZIPTOJJZANOFJ-MGPLVRAMSA-N 0 3 241.356 1.557 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000128168684 384935778 /nfs/dbraw/zinc/93/57/78/384935778.db2.gz MZBRNXNWXONPHB-NSHDSACASA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000128168684 384935783 /nfs/dbraw/zinc/93/57/83/384935783.db2.gz MZBRNXNWXONPHB-NSHDSACASA-N 0 3 207.273 1.267 20 10 BDCDHN C[C@@H]([NH2+]CC[C@H](C)O)c1cc(F)ccc1[O-] ZINC000087111421 385074716 /nfs/dbraw/zinc/07/47/16/385074716.db2.gz IMBXBDCOBBKTQQ-DTWKUNHWSA-N 0 3 227.279 1.953 20 10 BDCDHN CC[C@H](O)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000164767486 385038369 /nfs/dbraw/zinc/03/83/69/385038369.db2.gz DOGUANWAVADDLT-NSHDSACASA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1[O-] ZINC000179889266 385381171 /nfs/dbraw/zinc/38/11/71/385381171.db2.gz NPESWIYDZAPIFJ-JTQLQIEISA-N 0 3 248.326 1.569 20 10 BDCDHN Nc1ccc(NC(=O)[C@H]2CCCCCN2)cc1 ZINC000364475682 385466197 /nfs/dbraw/zinc/46/61/97/385466197.db2.gz BZHWCHCRMUVELR-GFCCVEGCSA-N 0 3 233.315 1.740 20 10 BDCDHN COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179555066 385471679 /nfs/dbraw/zinc/47/16/79/385471679.db2.gz VUTHKMSGQMVWDT-GFCCVEGCSA-N 0 3 249.310 1.777 20 10 BDCDHN COC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179555066 385471681 /nfs/dbraw/zinc/47/16/81/385471681.db2.gz VUTHKMSGQMVWDT-GFCCVEGCSA-N 0 3 249.310 1.777 20 10 BDCDHN CC[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000179870431 385496115 /nfs/dbraw/zinc/49/61/15/385496115.db2.gz AMLBDSIHBKISBQ-UHFFFAOYSA-N 0 3 213.252 1.346 20 10 BDCDHN CC[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000179870431 385496118 /nfs/dbraw/zinc/49/61/18/385496118.db2.gz AMLBDSIHBKISBQ-UHFFFAOYSA-N 0 3 213.252 1.346 20 10 BDCDHN CN(C)c1ccc(CN2CCCOCC2)cc1 ZINC000372434146 385576650 /nfs/dbraw/zinc/57/66/50/385576650.db2.gz WPTQBWNFBHEDBQ-UHFFFAOYSA-N 0 3 234.343 1.975 20 10 BDCDHN Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000294716242 385887609 /nfs/dbraw/zinc/88/76/09/385887609.db2.gz ANRMZGUCNCBXGT-PHIMTYICSA-N 0 3 241.718 1.967 20 10 BDCDHN CCOc1cccc(C[N@H+](C)[C@H](C)CO)c1[O-] ZINC000289386201 386295746 /nfs/dbraw/zinc/29/57/46/386295746.db2.gz DFJISQKCNJBOGQ-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1cccc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000289386201 386295752 /nfs/dbraw/zinc/29/57/52/386295752.db2.gz DFJISQKCNJBOGQ-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN Cn1nccc1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584500 386336310 /nfs/dbraw/zinc/33/63/10/386336310.db2.gz LQIFXUVXSWKFKZ-UHFFFAOYSA-N 0 3 235.262 1.555 20 10 BDCDHN C[C@H](O)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000228091015 386541104 /nfs/dbraw/zinc/54/11/04/386541104.db2.gz QBXCGFUFXXHHNO-VIFPVBQESA-N 0 3 227.279 1.782 20 10 BDCDHN CCC[C@@](C)(N)C(=O)NCc1ccccc1O ZINC000166202243 386764708 /nfs/dbraw/zinc/76/47/08/386764708.db2.gz OASVFSFRYKMVLU-CYBMUJFWSA-N 0 3 236.315 1.526 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC2COC2)c1 ZINC000527816375 387734441 /nfs/dbraw/zinc/73/44/41/387734441.db2.gz CALULHQFQKMHDR-UHFFFAOYSA-N 0 3 207.273 1.437 20 10 BDCDHN C[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295809565 388414596 /nfs/dbraw/zinc/41/45/96/388414596.db2.gz CRYGRDVUZQCENP-SCZZXKLOSA-N 0 3 207.273 1.350 20 10 BDCDHN C[C@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N(C)C ZINC000297659997 388430884 /nfs/dbraw/zinc/43/08/84/388430884.db2.gz KNFDAHVBAAOXCB-ZYHUDNBSSA-N 0 3 234.343 1.919 20 10 BDCDHN C[C@](O)(C[NH2+]Cc1ccccc1[O-])C(F)(F)F ZINC000270483083 389012583 /nfs/dbraw/zinc/01/25/83/389012583.db2.gz JSLHQUMCOXJQTH-JTQLQIEISA-N 0 3 249.232 1.795 20 10 BDCDHN Cc1cccc(CN2CCNC(=O)CC2)c1O ZINC000180061196 134325880 /nfs/dbraw/zinc/32/58/80/134325880.db2.gz CDIULMCDWMMBRX-UHFFFAOYSA-N 0 3 234.299 1.023 20 10 BDCDHN Nc1ccc(CCNC(=O)C2(N)CCCC2)cc1 ZINC000262438275 135299583 /nfs/dbraw/zinc/29/95/83/135299583.db2.gz MGRNLCXJYPEANE-UHFFFAOYSA-N 0 3 247.342 1.199 20 10 BDCDHN CC(C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879044 167007590 /nfs/dbraw/zinc/00/75/90/167007590.db2.gz OADGNQAKUQZHSL-UHFFFAOYSA-N 0 3 223.272 1.867 20 10 BDCDHN CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)N(C)C ZINC000062461290 167344170 /nfs/dbraw/zinc/34/41/70/167344170.db2.gz SBNLBKPBQKOKLN-LBPRGKRZSA-N 0 3 235.331 1.794 20 10 BDCDHN CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036795284 170094702 /nfs/dbraw/zinc/09/47/02/170094702.db2.gz XTLQJXHIAIUBPV-UWVGGRQHSA-N 0 3 236.315 1.567 20 10 BDCDHN CC[C@H](C)[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000169816547 171395635 /nfs/dbraw/zinc/39/56/35/171395635.db2.gz LOKCQGZNNVAHCR-GWCFXTLKSA-N 0 3 249.358 1.301 20 10 BDCDHN CN1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000042544015 173153125 /nfs/dbraw/zinc/15/31/25/173153125.db2.gz ORSJPWUATGTDEW-NSHDSACASA-N 0 3 206.289 1.186 20 10 BDCDHN CN1CC[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000292865467 173166755 /nfs/dbraw/zinc/16/67/55/173166755.db2.gz VUMHBBWDSLANHH-HNNXBMFYSA-N 0 3 246.354 1.920 20 10 BDCDHN CN1CC[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000292865467 173166757 /nfs/dbraw/zinc/16/67/57/173166757.db2.gz VUMHBBWDSLANHH-HNNXBMFYSA-N 0 3 246.354 1.920 20 10 BDCDHN C[NH2+][C@@H]1CCCN(Cc2ccccc2[O-])C1 ZINC000053201577 173433147 /nfs/dbraw/zinc/43/31/47/173433147.db2.gz QRDBOWAMQSERFB-GFCCVEGCSA-N 0 3 220.316 1.576 20 10 BDCDHN COc1cc(Cl)cc(C[NH2+][C@H](C)CO)c1[O-] ZINC000128612378 174989746 /nfs/dbraw/zinc/98/97/46/174989746.db2.gz SVEWLCDKTNZBMZ-SSDOTTSWSA-N 0 3 245.706 1.525 20 10 BDCDHN COc1ccc(O)c(CN2CCC[C@H](O)C2)c1 ZINC000271774465 175158018 /nfs/dbraw/zinc/15/80/18/175158018.db2.gz FWYQXFKCDSMKSD-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000271774465 175158020 /nfs/dbraw/zinc/15/80/20/175158020.db2.gz FWYQXFKCDSMKSD-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000271774465 175158023 /nfs/dbraw/zinc/15/80/23/175158023.db2.gz FWYQXFKCDSMKSD-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000092470964 175258581 /nfs/dbraw/zinc/25/85/81/175258581.db2.gz RWDUPKONCZCITP-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000092470964 175258583 /nfs/dbraw/zinc/25/85/83/175258583.db2.gz RWDUPKONCZCITP-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[NH2+]CC(C)(C)O)c1[O-] ZINC000082687404 175263201 /nfs/dbraw/zinc/26/32/01/175263201.db2.gz ZHZXIZMJEMBQAT-UHFFFAOYSA-N 0 3 225.288 1.261 20 10 BDCDHN COc1cccc(C[NH2+]C[C@H]2CCOC2)c1[O-] ZINC000037738184 175266226 /nfs/dbraw/zinc/26/62/26/175266226.db2.gz BXLPZQVJIQYZBW-SNVBAGLBSA-N 0 3 237.299 1.527 20 10 BDCDHN COc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1[O-] ZINC000134247226 175267092 /nfs/dbraw/zinc/26/70/92/175267092.db2.gz AAENLCDLRXBGHD-MWLCHTKSSA-N 0 3 237.299 1.668 20 10 BDCDHN C[C@H]1NCCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C ZINC000262804359 177396446 /nfs/dbraw/zinc/39/64/46/177396446.db2.gz PVBNRNAVUQPWHH-GHMZBOCLSA-N 0 3 247.342 1.020 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC12CC(C1)CO2 ZINC000529661292 324372464 /nfs/dbraw/zinc/37/24/64/324372464.db2.gz BKMGDTRZIBFSPR-UHFFFAOYSA-N 0 3 237.274 1.800 20 10 BDCDHN CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000848914792 582815097 /nfs/dbraw/zinc/81/50/97/582815097.db2.gz NTTZAMQHDWULBQ-ZWNOBZJWSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000848914792 582815099 /nfs/dbraw/zinc/81/50/99/582815099.db2.gz NTTZAMQHDWULBQ-ZWNOBZJWSA-N 0 3 235.327 1.910 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c([O-])c1 ZINC000877461708 583314381 /nfs/dbraw/zinc/31/43/81/583314381.db2.gz JLJXSVJWXOLFLU-GXTWGEPZSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c([O-])c1 ZINC000877461708 583314382 /nfs/dbraw/zinc/31/43/82/583314382.db2.gz JLJXSVJWXOLFLU-GXTWGEPZSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c([O-])c1 ZINC000895645379 583700848 /nfs/dbraw/zinc/70/08/48/583700848.db2.gz PYCQMJAAEYQKKL-DGCLKSJQSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c([O-])c1 ZINC000895645379 583700849 /nfs/dbraw/zinc/70/08/49/583700849.db2.gz PYCQMJAAEYQKKL-DGCLKSJQSA-N 0 3 219.284 1.267 20 10 BDCDHN CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000895852226 583736964 /nfs/dbraw/zinc/73/69/64/583736964.db2.gz RUAOOHHROVOEAM-UWVGGRQHSA-N 0 3 237.299 1.994 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000896554151 583812229 /nfs/dbraw/zinc/81/22/29/583812229.db2.gz HUTFHRYRMHGEJO-DGCLKSJQSA-N 0 3 234.343 1.883 20 10 BDCDHN CC[N@H+](CCC(N)=O)Cc1ccccc1[O-] ZINC000896714569 583826376 /nfs/dbraw/zinc/82/63/76/583826376.db2.gz GRVGYGAUNJJYDH-UHFFFAOYSA-N 0 3 222.288 1.090 20 10 BDCDHN CC[N@@H+](CCC(N)=O)Cc1ccccc1[O-] ZINC000896714569 583826377 /nfs/dbraw/zinc/82/63/77/583826377.db2.gz GRVGYGAUNJJYDH-UHFFFAOYSA-N 0 3 222.288 1.090 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898204102 584091167 /nfs/dbraw/zinc/09/11/67/584091167.db2.gz OBGNLPWPBDUVMZ-ZDUSSCGKSA-N 0 3 239.290 1.782 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898205360 584091955 /nfs/dbraw/zinc/09/19/55/584091955.db2.gz COBHYQPYWREMKB-ZDUSSCGKSA-N 0 3 221.300 1.643 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898198237 584098202 /nfs/dbraw/zinc/09/82/02/584098202.db2.gz OZBMFTIOWMKYOF-CYBMUJFWSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000858495257 588960548 /nfs/dbraw/zinc/96/05/48/588960548.db2.gz YWMIUNFAFKGXAJ-DCAQKATOSA-N 0 3 248.326 1.615 20 10 BDCDHN NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000858495301 588960676 /nfs/dbraw/zinc/96/06/76/588960676.db2.gz ZZJOHHPFGSZTEA-GMTAPVOTSA-N 0 3 246.310 1.233 20 10 BDCDHN C[C@@H]([NH2+]CC1(N)CC1)c1cc(F)ccc1[O-] ZINC000902404865 584588941 /nfs/dbraw/zinc/58/89/41/584588941.db2.gz GEWMWNPMNDTBOL-MRVPVSSYSA-N 0 3 224.279 1.673 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCON)c1 ZINC000902425323 584593800 /nfs/dbraw/zinc/59/38/00/584593800.db2.gz LZKWNYNZSYNYBI-SECBINFHSA-N 0 3 240.303 1.332 20 10 BDCDHN [O-]c1cccc2c1[C@H](N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902459103 584610749 /nfs/dbraw/zinc/61/07/49/584610749.db2.gz BDSZAGCCZUPYDC-UMSGYPCISA-N 0 3 244.338 1.862 20 10 BDCDHN Cc1cc(O)c(CN2CC[C@H]2CO)cc1C ZINC000902629464 584646155 /nfs/dbraw/zinc/64/61/55/584646155.db2.gz DRGJIBYZUYPCJL-LBPRGKRZSA-N 0 3 221.300 1.576 20 10 BDCDHN C[C@H]([NH3+])[C@H](C)NCc1cccc(Cl)c1[O-] ZINC000841076982 584761352 /nfs/dbraw/zinc/76/13/52/584761352.db2.gz VSPHSJXLLRAZLE-YUMQZZPRSA-N 0 3 228.723 1.871 20 10 BDCDHN C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc(F)ccc1[O-] ZINC000817959295 584992403 /nfs/dbraw/zinc/99/24/03/584992403.db2.gz FJIHXJJFTGQVFB-PRHODGIISA-N 0 3 238.306 1.919 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])CC1(O)CCC1 ZINC000757845278 585345709 /nfs/dbraw/zinc/34/57/09/585345709.db2.gz RXWMSCIMTJXNNZ-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])CC1(O)CCC1 ZINC000757845278 585345710 /nfs/dbraw/zinc/34/57/10/585345710.db2.gz RXWMSCIMTJXNNZ-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000765794969 585492884 /nfs/dbraw/zinc/49/28/84/585492884.db2.gz GOLGTKMDZJJSCX-VXGBXAGGSA-N 0 3 248.326 1.397 20 10 BDCDHN CN(Cc1ccccc1O)[C@H]1CCCNC1=O ZINC000766884486 585509083 /nfs/dbraw/zinc/50/90/83/585509083.db2.gz AUAQCUNSNUWEAX-NSHDSACASA-N 0 3 234.299 1.103 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778189585 585727019 /nfs/dbraw/zinc/72/70/19/585727019.db2.gz RDDATNXFPLDYLF-LBPRGKRZSA-N 0 3 243.310 1.693 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000788266740 585920165 /nfs/dbraw/zinc/92/01/65/585920165.db2.gz BIEMVSZAHQVWEI-JQWIXIFHSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1[O-] ZINC000788266740 585920166 /nfs/dbraw/zinc/92/01/66/585920166.db2.gz BIEMVSZAHQVWEI-JQWIXIFHSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000788266733 585920268 /nfs/dbraw/zinc/92/02/68/585920268.db2.gz BIEMVSZAHQVWEI-CMPLNLGQSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000788266733 585920269 /nfs/dbraw/zinc/92/02/69/585920269.db2.gz BIEMVSZAHQVWEI-CMPLNLGQSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1C ZINC000788271150 585920557 /nfs/dbraw/zinc/92/05/57/585920557.db2.gz ZFINUBFKVCKIBR-WCQYABFASA-N 0 3 235.327 1.964 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2C)cc1C ZINC000788271150 585920558 /nfs/dbraw/zinc/92/05/58/585920558.db2.gz ZFINUBFKVCKIBR-WCQYABFASA-N 0 3 235.327 1.964 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@@H](C)OC ZINC000809717038 586514493 /nfs/dbraw/zinc/51/44/93/586514493.db2.gz CCTXCWNQQDZBCN-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@@H](C)OC ZINC000809717038 586514495 /nfs/dbraw/zinc/51/44/95/586514495.db2.gz CCTXCWNQQDZBCN-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN CC[NH2+]CCN[C@H](C)c1ccc(F)cc1[O-] ZINC000817952135 586848268 /nfs/dbraw/zinc/84/82/68/586848268.db2.gz NYVGPCGZHLAZMX-SECBINFHSA-N 0 3 226.295 1.791 20 10 BDCDHN CCNCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817952135 586848270 /nfs/dbraw/zinc/84/82/70/586848270.db2.gz NYVGPCGZHLAZMX-SECBINFHSA-N 0 3 226.295 1.791 20 10 BDCDHN NC[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C1CC1 ZINC000817960266 586851238 /nfs/dbraw/zinc/85/12/38/586851238.db2.gz LHBYWTJRECOYTK-RYUDHWBXSA-N 0 3 232.327 1.706 20 10 BDCDHN C[C@@H](CN)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817961665 586853234 /nfs/dbraw/zinc/85/32/34/586853234.db2.gz BXTVQJUKHQXSBW-YUMQZZPRSA-N 0 3 244.285 1.916 20 10 BDCDHN C[C@@H](N)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000817972759 586859189 /nfs/dbraw/zinc/85/91/89/586859189.db2.gz OIOFJEYESTZWBM-HTQZYQBOSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H](NC[C@H](C)[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972904 586859652 /nfs/dbraw/zinc/85/96/52/586859652.db2.gz PJHRPWAXMIJZCF-JGVFFNPUSA-N 0 3 239.275 1.298 20 10 BDCDHN C[C@@H]([NH3+])CN[C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972903 586859822 /nfs/dbraw/zinc/85/98/22/586859822.db2.gz PJHRPWAXMIJZCF-HTQZYQBOSA-N 0 3 239.275 1.298 20 10 BDCDHN CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000818230972 586880933 /nfs/dbraw/zinc/88/09/33/586880933.db2.gz KXMCKFYMNVTLGK-GHMZBOCLSA-N 0 3 237.299 1.404 20 10 BDCDHN COC(=O)C1(C)CN(Cc2cccc(C)c2O)C1 ZINC000822534352 587173726 /nfs/dbraw/zinc/17/37/26/587173726.db2.gz DDPSNKLBPBARKK-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825104360 587304142 /nfs/dbraw/zinc/30/41/42/587304142.db2.gz VAHWINBGHXMZJQ-BXKDBHETSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825104360 587304144 /nfs/dbraw/zinc/30/41/44/587304144.db2.gz VAHWINBGHXMZJQ-BXKDBHETSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C2([C@@H](C)O)CC2)c1 ZINC000827585276 587390274 /nfs/dbraw/zinc/39/02/74/587390274.db2.gz DNBDZOYFMBCWHO-SECBINFHSA-N 0 3 237.299 1.404 20 10 BDCDHN CNC(=O)CCNCc1ccc(N(C)C)cc1C ZINC000840932898 587930458 /nfs/dbraw/zinc/93/04/58/587930458.db2.gz KYUSLTRXFLRTNU-UHFFFAOYSA-N 0 3 249.358 1.287 20 10 BDCDHN CC(C)([NH3+])CNCc1cccc(Cl)c1[O-] ZINC000841030399 587936194 /nfs/dbraw/zinc/93/61/94/587936194.db2.gz HNSHZFWKXNGQGX-UHFFFAOYSA-N 0 3 228.723 1.873 20 10 BDCDHN NC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000841027447 587936422 /nfs/dbraw/zinc/93/64/22/587936422.db2.gz BEFGLMDWNBEVIR-NSHDSACASA-N 0 3 224.279 1.358 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCCNC1 ZINC000841032543 587936928 /nfs/dbraw/zinc/93/69/28/587936928.db2.gz GOAIQEOKYUERPJ-JTQLQIEISA-N 0 3 238.306 1.621 20 10 BDCDHN C[C@@H](C[NH3+])CNCc1c([O-])ccc(Cl)c1F ZINC000841047695 587939458 /nfs/dbraw/zinc/93/94/58/587939458.db2.gz BSZSBOUZVIFEHL-ZETCQYMHSA-N 0 3 246.713 1.869 20 10 BDCDHN [NH3+][C@H](CNCc1c([O-])cccc1Cl)C1CC1 ZINC000841048937 587939695 /nfs/dbraw/zinc/93/96/95/587939695.db2.gz HHAGRDNMHTXYPV-LLVKDONJSA-N 0 3 240.734 1.873 20 10 BDCDHN N[C@H](C[NH2+]Cc1c([O-])cccc1Cl)C1CC1 ZINC000841048937 587939696 /nfs/dbraw/zinc/93/96/96/587939696.db2.gz HHAGRDNMHTXYPV-LLVKDONJSA-N 0 3 240.734 1.873 20 10 BDCDHN CC[NH2+][C@H](C)CNCc1c([O-])cccc1OC ZINC000841065346 587941480 /nfs/dbraw/zinc/94/14/80/587941480.db2.gz IZFAZTHDZIBQFS-SNVBAGLBSA-N 0 3 238.331 1.488 20 10 BDCDHN C[C@@H]1C[C@@H](NCc2cccc(F)c2[O-])CC[NH2+]1 ZINC000841061165 587941722 /nfs/dbraw/zinc/94/17/22/587941722.db2.gz FRFTWNBXPGAIAV-KOLCDFICSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@@H](C[NH3+])NCc1cc(Cl)cc(F)c1[O-] ZINC000841063129 587941774 /nfs/dbraw/zinc/94/17/74/587941774.db2.gz IGXYQTMGCDUSSK-LURJTMIESA-N 0 3 232.686 1.622 20 10 BDCDHN NC[C@@H]([NH2+]Cc1ccccc1[O-])C1CCCC1 ZINC000841088255 587945859 /nfs/dbraw/zinc/94/58/59/587945859.db2.gz UHMMPZIRZCSWMY-CYBMUJFWSA-N 0 3 234.343 1.999 20 10 BDCDHN Cc1cc([O-])c(CN(C)CC[NH3+])c(Cl)c1 ZINC000841100963 587946661 /nfs/dbraw/zinc/94/66/61/587946661.db2.gz QERCFMYTGBQGOE-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN CC(C)C[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000841847650 587977413 /nfs/dbraw/zinc/97/74/13/587977413.db2.gz FFOUXXVBANSGHB-CYBMUJFWSA-N 0 3 249.358 1.301 20 10 BDCDHN [NH3+]C[C@@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000843046925 588075696 /nfs/dbraw/zinc/07/56/96/588075696.db2.gz FMUKHBMASMQTNV-JTQLQIEISA-N 0 3 238.306 1.702 20 10 BDCDHN COc1cccc([O-])c1CN1CCC([NH3+])CC1 ZINC000843047337 588075884 /nfs/dbraw/zinc/07/58/84/588075884.db2.gz LXLNXXLJEPBVOY-UHFFFAOYSA-N 0 3 236.315 1.324 20 10 BDCDHN [NH3+]C[C@@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843048429 588076244 /nfs/dbraw/zinc/07/62/44/588076244.db2.gz TVQXNXRGIKNDEF-VIFPVBQESA-N 0 3 240.734 1.826 20 10 BDCDHN [NH3+]C[C@H]1CCN(Cc2cccc(Cl)c2[O-])C1 ZINC000843048428 588076310 /nfs/dbraw/zinc/07/63/10/588076310.db2.gz TVQXNXRGIKNDEF-SECBINFHSA-N 0 3 240.734 1.826 20 10 BDCDHN C[C@@H]1CN(Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843051424 588076587 /nfs/dbraw/zinc/07/65/87/588076587.db2.gz HFVBPQZNKFFJFL-SKDRFNHKSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@H]1CN(Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843051423 588077090 /nfs/dbraw/zinc/07/70/90/588077090.db2.gz HFVBPQZNKFFJFL-JOYOIKCWSA-N 0 3 238.306 1.700 20 10 BDCDHN C[NH2+]CCN(C)Cc1c([O-])cccc1OC ZINC000843057479 588077605 /nfs/dbraw/zinc/07/76/05/588077605.db2.gz OTOJQRBKIWXNLS-UHFFFAOYSA-N 0 3 224.304 1.052 20 10 BDCDHN C[C@@]1(CN)CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843116309 588082749 /nfs/dbraw/zinc/08/27/49/588082749.db2.gz KIPXASARFMCLMW-ZDUSSCGKSA-N 0 3 238.306 1.702 20 10 BDCDHN C[C@@]1(CN)CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000843116309 588082751 /nfs/dbraw/zinc/08/27/51/588082751.db2.gz KIPXASARFMCLMW-ZDUSSCGKSA-N 0 3 238.306 1.702 20 10 BDCDHN COCC[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846135647 588258439 /nfs/dbraw/zinc/25/84/39/588258439.db2.gz FIRJHWQHXVWSNS-VIFPVBQESA-N 0 3 225.288 1.698 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]CCCCO)c1[O-] ZINC000846163982 588259083 /nfs/dbraw/zinc/25/90/83/588259083.db2.gz CVMARBGNKMFGQA-JTQLQIEISA-N 0 3 239.315 1.824 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c([O-])c1 ZINC000846189518 588259510 /nfs/dbraw/zinc/25/95/10/588259510.db2.gz MBNFLZPEEPBSGG-MXWKQRLJSA-N 0 3 248.326 1.615 20 10 BDCDHN CCNC(=[NH2+])NCc1cc(OC)ccc1[O-] ZINC000849008863 588434129 /nfs/dbraw/zinc/43/41/29/588434129.db2.gz GBLZHIAROJOYOI-UHFFFAOYSA-N 0 3 223.276 1.035 20 10 BDCDHN COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000850113622 588520288 /nfs/dbraw/zinc/52/02/88/588520288.db2.gz OYHCZLMWQNRPRJ-ADEWGFFLSA-N 0 3 249.310 1.679 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](CO)CC1CC1 ZINC000850386585 588542789 /nfs/dbraw/zinc/54/27/89/588542789.db2.gz MHDJLWJVYYIXOO-LBPRGKRZSA-N 0 3 235.327 1.890 20 10 BDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@H](O)C2)c([O-])c1 ZINC000850417635 588544788 /nfs/dbraw/zinc/54/47/88/588544788.db2.gz GNAWYLWDUCHXAA-XYPYZODXSA-N 0 3 237.299 1.404 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850417958 588544850 /nfs/dbraw/zinc/54/48/50/588544850.db2.gz SMJONYQAXQIIJP-KYZUINATSA-N 0 3 223.272 1.014 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850417524 588545177 /nfs/dbraw/zinc/54/51/77/588545177.db2.gz BLYBOACRYWYIRB-XYPYZODXSA-N 0 3 207.273 1.314 20 10 BDCDHN CC[C@@H](O)C[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000850529784 588557826 /nfs/dbraw/zinc/55/78/26/588557826.db2.gz SZFVJTDKMJNOGK-NXEZZACHSA-N 0 3 239.315 1.822 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579088 588561477 /nfs/dbraw/zinc/56/14/77/588561477.db2.gz SMCBTWJNNKXQTI-GMTAPVOTSA-N 0 3 221.300 1.875 20 10 BDCDHN C[C@@H]1[NH2+]CC[C@H]1NCc1cc(Cl)ccc1[O-] ZINC000863487316 589293861 /nfs/dbraw/zinc/29/38/61/589293861.db2.gz NGRZEYQMTXFKBX-GZMMTYOYSA-N 0 3 240.734 1.886 20 10 BDCDHN CC[N@H+](CCN)Cc1cccc(Cl)c1[O-] ZINC000863644362 589306847 /nfs/dbraw/zinc/30/68/47/589306847.db2.gz SVDQKIPTOGSZJA-UHFFFAOYSA-N 0 3 228.723 1.826 20 10 BDCDHN CC[N@@H+](CCN)Cc1cccc(Cl)c1[O-] ZINC000863644362 589306849 /nfs/dbraw/zinc/30/68/49/589306849.db2.gz SVDQKIPTOGSZJA-UHFFFAOYSA-N 0 3 228.723 1.826 20 10 BDCDHN COc1ccc(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)c([O-])c1 ZINC000864465424 589371052 /nfs/dbraw/zinc/37/10/52/589371052.db2.gz WJGUAGWULLINKN-GZMMTYOYSA-N 0 3 249.314 1.423 20 10 BDCDHN CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)N(C)C ZINC000871203663 589744773 /nfs/dbraw/zinc/74/47/73/589744773.db2.gz PLCTUARFWOBEHT-LBPRGKRZSA-N 0 3 248.326 1.575 20 10 BDCDHN CCOc1cccc(C[NH2+][C@@H](C)COC)c1[O-] ZINC000019904643 590041049 /nfs/dbraw/zinc/04/10/49/590041049.db2.gz HDZXXOYPISHPSE-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000876511360 590205293 /nfs/dbraw/zinc/20/52/93/590205293.db2.gz GJFVXAIJRKAFJK-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000876511360 590205295 /nfs/dbraw/zinc/20/52/95/590205295.db2.gz GJFVXAIJRKAFJK-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC000876528127 590209332 /nfs/dbraw/zinc/20/93/32/590209332.db2.gz PXCUDPZUZNUCQR-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC[C@H](O)C2)c([O-])c1 ZINC000876528127 590209333 /nfs/dbraw/zinc/20/93/33/590209333.db2.gz PXCUDPZUZNUCQR-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN COCC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876564788 590216244 /nfs/dbraw/zinc/21/62/44/590216244.db2.gz ONJKLJNPBYFUOO-UHFFFAOYSA-N 0 3 209.289 1.779 20 10 BDCDHN COCC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876564788 590216246 /nfs/dbraw/zinc/21/62/46/590216246.db2.gz ONJKLJNPBYFUOO-UHFFFAOYSA-N 0 3 209.289 1.779 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCCN(C)C ZINC000876886888 590254201 /nfs/dbraw/zinc/25/42/01/590254201.db2.gz CVCRZQKOLWRYTC-UHFFFAOYSA-N 0 3 222.332 1.742 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000877053142 590275439 /nfs/dbraw/zinc/27/54/39/590275439.db2.gz DVQFQGLWTLNEGN-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H](C)CCO)c([O-])c1 ZINC000877068497 590277206 /nfs/dbraw/zinc/27/72/06/590277206.db2.gz XSZMJNWGUHYVHD-LLVKDONJSA-N 0 3 223.316 1.809 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](CO)C(C)C)c([O-])c1 ZINC000877074514 590278255 /nfs/dbraw/zinc/27/82/55/590278255.db2.gz MWFNNOSJTLBTAJ-GFCCVEGCSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1(C)OCCO1 ZINC000877118119 590288585 /nfs/dbraw/zinc/28/85/85/590288585.db2.gz NFFLPGJHMXMOLI-UHFFFAOYSA-N 0 3 237.299 1.553 20 10 BDCDHN COC[C@](C)(CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877155637 590293115 /nfs/dbraw/zinc/29/31/15/590293115.db2.gz ISKOJCZVJHBOAE-ZDUSSCGKSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)C1CC(O)C1 ZINC000877344619 590319079 /nfs/dbraw/zinc/31/90/79/590319079.db2.gz KRAFWNDZPMFKFS-UHFFFAOYSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)C1CC(O)C1 ZINC000877344619 590319081 /nfs/dbraw/zinc/31/90/81/590319081.db2.gz KRAFWNDZPMFKFS-UHFFFAOYSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000877430383 590325466 /nfs/dbraw/zinc/32/54/66/590325466.db2.gz HHFMRSIEBWHOAI-CHWSQXEVSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC000877434747 590326795 /nfs/dbraw/zinc/32/67/95/590326795.db2.gz TZKCBRDXGPDEQK-WCQYABFASA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](C)C2)c([O-])c1 ZINC000877434747 590326797 /nfs/dbraw/zinc/32/67/97/590326797.db2.gz TZKCBRDXGPDEQK-WCQYABFASA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH2+]CC[C@H](C)O)c([O-])c1 ZINC000877477122 590336285 /nfs/dbraw/zinc/33/62/85/590336285.db2.gz XUTZSAMXTRQTMV-JTQLQIEISA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCCCO ZINC000877482502 590338146 /nfs/dbraw/zinc/33/81/46/590338146.db2.gz BFEFVHZWVYQCQI-UHFFFAOYSA-N 0 3 209.289 1.563 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000877494547 590340768 /nfs/dbraw/zinc/34/07/68/590340768.db2.gz YFXGHTZXHVOVFG-AWEZNQCLSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000877494547 590340770 /nfs/dbraw/zinc/34/07/70/590340770.db2.gz YFXGHTZXHVOVFG-AWEZNQCLSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c([O-])c1 ZINC000877499637 590341017 /nfs/dbraw/zinc/34/10/17/590341017.db2.gz RNAYJPSLONIVJV-ZWNOBZJWSA-N 0 3 248.326 1.315 20 10 BDCDHN COCC[C@@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877501015 590342033 /nfs/dbraw/zinc/34/20/33/590342033.db2.gz KYVMISZWHJSKOR-LBPRGKRZSA-N 0 3 239.315 1.188 20 10 BDCDHN CC[C@H]([NH2+]Cc1c(C)cccc1[O-])C(=O)NC ZINC000877575674 590363966 /nfs/dbraw/zinc/36/39/66/590363966.db2.gz BALJAZZENQENEN-NSHDSACASA-N 0 3 236.315 1.315 20 10 BDCDHN CO[C@](C)(CO)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877616516 590374765 /nfs/dbraw/zinc/37/47/65/590374765.db2.gz CRSUFKCAYPMCPU-ZDUSSCGKSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC000877632207 590377596 /nfs/dbraw/zinc/37/75/96/590377596.db2.gz RUWBBEPZJZQMHR-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC(=O)N(C)CC2)c([O-])c1 ZINC000877632207 590377598 /nfs/dbraw/zinc/37/75/98/590377598.db2.gz RUWBBEPZJZQMHR-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000877633183 590379344 /nfs/dbraw/zinc/37/93/44/590379344.db2.gz CAPUDFXQZPNXHA-JTQLQIEISA-N 0 3 234.299 1.069 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]C2CSC2)c1 ZINC000877635318 590380896 /nfs/dbraw/zinc/38/08/96/590380896.db2.gz MCACFYCGLFHTNZ-UHFFFAOYSA-N 0 3 239.340 1.996 20 10 BDCDHN CCOc1ccc(O)c(CNC2CSC2)c1 ZINC000877635318 590380898 /nfs/dbraw/zinc/38/08/98/590380898.db2.gz MCACFYCGLFHTNZ-UHFFFAOYSA-N 0 3 239.340 1.996 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877660580 590387207 /nfs/dbraw/zinc/38/72/07/590387207.db2.gz NZXSNNHDEVFUQA-ZYHUDNBSSA-N 0 3 247.294 1.305 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877660580 590387209 /nfs/dbraw/zinc/38/72/09/590387209.db2.gz NZXSNNHDEVFUQA-ZYHUDNBSSA-N 0 3 247.294 1.305 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)c([O-])c1 ZINC000877666489 590388169 /nfs/dbraw/zinc/38/81/69/590388169.db2.gz CSDIWPKTQSFKDR-KLPPZKSPSA-N 0 3 221.300 1.561 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)c1ccccc1[O-] ZINC000877755974 590418043 /nfs/dbraw/zinc/41/80/43/590418043.db2.gz VUSGJEOELNAOQC-GHMZBOCLSA-N 0 3 248.326 1.712 20 10 BDCDHN C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccccc1[O-] ZINC000879649687 590841651 /nfs/dbraw/zinc/84/16/51/590841651.db2.gz SLVDIHOBXQLPCG-SNVBAGLBSA-N 0 3 248.326 1.664 20 10 BDCDHN C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1[O-] ZINC000879648486 590842391 /nfs/dbraw/zinc/84/23/91/590842391.db2.gz RCVVZUFPHCBRKU-GHMZBOCLSA-N 0 3 249.310 1.996 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CCOC2)c1 ZINC000131192104 591566038 /nfs/dbraw/zinc/56/60/38/591566038.db2.gz NPVIULSMWWYILP-ZJUUUORDSA-N 0 3 237.299 1.840 20 10 BDCDHN O=C(NCc1ccccc1O)[C@H]1CCCCN1 ZINC000132520232 591714361 /nfs/dbraw/zinc/71/43/61/591714361.db2.gz HBLZEVQKGCKQJD-LLVKDONJSA-N 0 3 234.299 1.151 20 10 BDCDHN O=C(C[NH2+]Cc1ccccc1[O-])NC1CCCC1 ZINC000134522711 591934520 /nfs/dbraw/zinc/93/45/20/591934520.db2.gz FQYCASGKRAAXJY-UHFFFAOYSA-N 0 3 248.326 1.541 20 10 BDCDHN C[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000136822265 592151823 /nfs/dbraw/zinc/15/18/23/592151823.db2.gz JDVONYTWGVEICU-RYUDHWBXSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000136822265 592151826 /nfs/dbraw/zinc/15/18/26/592151826.db2.gz JDVONYTWGVEICU-RYUDHWBXSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CN(Cc2cc(F)ccc2[O-])CC[C@H]1[NH3+] ZINC000300417483 592512003 /nfs/dbraw/zinc/51/20/03/592512003.db2.gz VKQVLPSAKUBEOS-BXKDBHETSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(F)ccc1[O-] ZINC000300434971 592512851 /nfs/dbraw/zinc/51/28/51/592512851.db2.gz DNWZVPBYUJOPDC-VHSXEESVSA-N 0 3 238.306 1.714 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000196423292 634379121 /nfs/dbraw/zinc/37/91/21/634379121.db2.gz IJZGPIBXDXORGG-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC000196423292 634379132 /nfs/dbraw/zinc/37/91/32/634379132.db2.gz IJZGPIBXDXORGG-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN CC(C)N(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226589148 635437154 /nfs/dbraw/zinc/43/71/54/635437154.db2.gz SQEFQTNTSZBMKN-UHFFFAOYSA-N 0 3 240.322 1.961 20 10 BDCDHN CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)CN ZINC000076635882 631300594 /nfs/dbraw/zinc/30/05/94/631300594.db2.gz XIHKEHKJTOBQPH-UHFFFAOYSA-N 0 3 249.358 1.448 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCC[C@@H]1O)CC2 ZINC000296631356 634206926 /nfs/dbraw/zinc/20/69/26/634206926.db2.gz CGOGVPDACVZEKX-TUAOUCFPSA-N 0 3 233.311 1.883 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCN1C ZINC000896593950 636205543 /nfs/dbraw/zinc/20/55/43/636205543.db2.gz DAJBGHDDIBVEJJ-NSHDSACASA-N 0 3 220.316 1.494 20 10 BDCDHN [NH3+][C@H]1C[C@H](NCc2c([O-])ccc(Cl)c2F)C1 ZINC000906518000 638187608 /nfs/dbraw/zinc/18/76/08/638187608.db2.gz MNIOBRYYZLGTHE-LJGSYFOKSA-N 0 3 244.697 1.764 20 10 BDCDHN [NH3+][C@H]1C[C@H](NCc2cc(Cl)cc(F)c2[O-])C1 ZINC000906518395 638188049 /nfs/dbraw/zinc/18/80/49/638188049.db2.gz YHJOKKWEURQRIP-KYZUINATSA-N 0 3 244.697 1.764 20 10 BDCDHN C[C@H]([NH2+]CC[S@@](C)=O)c1ccccc1[O-] ZINC000163980522 640431286 /nfs/dbraw/zinc/43/12/86/640431286.db2.gz JBMCWKXQRIBUDW-VFZGTOFNSA-N 0 3 227.329 1.421 20 10 BDCDHN COc1ccc(O)c(CNCc2ccnn2C)c1 ZINC000071333218 643131978 /nfs/dbraw/zinc/13/19/78/643131978.db2.gz DSFBNFXVJBRCRJ-UHFFFAOYSA-N 0 3 247.298 1.424 20 10 BDCDHN Cc1ccc(O)c(CNCc2c[nH]cn2)c1 ZINC000084080881 643642257 /nfs/dbraw/zinc/64/22/57/643642257.db2.gz JDDIDKAGJFKQCY-UHFFFAOYSA-N 0 3 217.272 1.714 20 10 BDCDHN CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1[O-] ZINC000050394198 643695262 /nfs/dbraw/zinc/69/52/62/643695262.db2.gz QGFJNIYGQRQOOX-VXGBXAGGSA-N 0 3 248.326 1.712 20 10 BDCDHN CCCN(CC(N)=O)Cc1cccc(C)c1O ZINC000383641629 711874089 /nfs/dbraw/zinc/87/40/89/711874089.db2.gz ZYJQZGJOBJYBGT-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN CC(C)[C@@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000381471747 710642063 /nfs/dbraw/zinc/64/20/63/710642063.db2.gz MUWADQTTZULQCA-CYBMUJFWSA-N 0 3 223.316 1.889 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)CC(F)F ZINC000381498909 710647413 /nfs/dbraw/zinc/64/74/13/710647413.db2.gz NURFMXZZGUYEBT-SECBINFHSA-N 0 3 231.242 1.498 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(O)CCC1)CC2 ZINC000383723281 710882916 /nfs/dbraw/zinc/88/29/16/710882916.db2.gz YTVJJMFAIBYCKJ-NSHDSACASA-N 0 3 233.311 1.884 20 10 BDCDHN CO[C@](C)(CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000702513506 712054714 /nfs/dbraw/zinc/05/47/14/712054714.db2.gz HVTGDXRGRZUGOZ-MFKMUULPSA-N 0 3 239.315 1.440 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(F)ccc1[O-] ZINC000707593336 712175317 /nfs/dbraw/zinc/17/53/17/712175317.db2.gz HROIXPWZKAUWDK-ATZCPNFKSA-N 0 3 239.290 1.953 20 10 BDCDHN C[C@H]([NH3+])CN(C)Cc1cc(Cl)ccc1[O-] ZINC000379793514 712399413 /nfs/dbraw/zinc/39/94/13/712399413.db2.gz JUOFWLXZINKTNQ-QMMMGPOBSA-N 0 3 228.723 1.825 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001203550179 966672912 /nfs/dbraw/zinc/67/29/12/966672912.db2.gz KKYUKIYQHCOWJI-PWSUYJOCSA-N 0 3 225.263 1.297 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001203550179 966672931 /nfs/dbraw/zinc/67/29/31/966672931.db2.gz KKYUKIYQHCOWJI-PWSUYJOCSA-N 0 3 225.263 1.297 20 10 BDCDHN C[C@H]1C[C@@H](CO)[N@H+](Cc2ccccc2[O-])C1 ZINC001203550390 966680678 /nfs/dbraw/zinc/68/06/78/966680678.db2.gz UJNOWPNJKQMBCG-JQWIXIFHSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H]1C[C@@H](CO)[N@@H+](Cc2ccccc2[O-])C1 ZINC001203550390 966680684 /nfs/dbraw/zinc/68/06/84/966680684.db2.gz UJNOWPNJKQMBCG-JQWIXIFHSA-N 0 3 221.300 1.595 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001203549893 966682929 /nfs/dbraw/zinc/68/29/29/966682929.db2.gz BRCXKVYZAAQWCB-GFCCVEGCSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001203549893 966682937 /nfs/dbraw/zinc/68/29/37/966682937.db2.gz BRCXKVYZAAQWCB-GFCCVEGCSA-N 0 3 221.300 1.739 20 10 BDCDHN CSCCN(C)Cc1cc(O)c(O)cc1O ZINC001233487241 978611992 /nfs/dbraw/zinc/61/19/92/978611992.db2.gz VYSCJUCFZWQTLB-UHFFFAOYSA-N 0 3 243.328 1.598 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000877607925 983956211 /nfs/dbraw/zinc/95/62/11/983956211.db2.gz OBFIIFDQGUOLJU-MNOVXSKESA-N 0 3 221.300 1.968 20 10 BDCDHN COc1cccc(N)c1N[C@H]1CCN(C)C1 ZINC001167278172 957625001 /nfs/dbraw/zinc/62/50/01/957625001.db2.gz ATNQNZHTYZTQKY-VIFPVBQESA-N 0 3 221.304 1.393 20 10 BDCDHN Cc1ccc(CN2CCC[C@H]2C(N)=O)c(O)c1 ZINC001140948433 960739642 /nfs/dbraw/zinc/73/96/42/960739642.db2.gz HDWGXMGAGILXEN-NSHDSACASA-N 0 3 234.299 1.150 20 10 BDCDHN CCN1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141155695 960890712 /nfs/dbraw/zinc/89/07/12/960890712.db2.gz FXLJXGBFGYOMRB-UHFFFAOYSA-N 0 3 236.315 1.235 20 10 BDCDHN Oc1ccc(O)c(CN2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001141157693 960897605 /nfs/dbraw/zinc/89/76/05/960897605.db2.gz MRYAJIXMMAIIDL-YGRLFVJLSA-N 0 3 249.310 1.709 20 10 BDCDHN OC[C@H]1C[C@H](F)CN(Cc2ccccc2O)C1 ZINC001203550540 966680775 /nfs/dbraw/zinc/68/07/75/966680775.db2.gz YOYRMYQIVYDFJG-JQWIXIFHSA-N 0 3 239.290 1.545 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001203550489 966684114 /nfs/dbraw/zinc/68/41/14/966684114.db2.gz VZVIWORKPTVCBF-DGCLKSJQSA-N 0 3 239.290 1.687 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001203550489 966684122 /nfs/dbraw/zinc/68/41/22/966684122.db2.gz VZVIWORKPTVCBF-DGCLKSJQSA-N 0 3 239.290 1.687 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001203550490 966684842 /nfs/dbraw/zinc/68/48/42/966684842.db2.gz VZVIWORKPTVCBF-WCQYABFASA-N 0 3 239.290 1.687 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001203550490 966684858 /nfs/dbraw/zinc/68/48/58/966684858.db2.gz VZVIWORKPTVCBF-WCQYABFASA-N 0 3 239.290 1.687 20 10 BDCDHN OC[C@H]1CCCCN1Cc1ccc(O)c(O)c1 ZINC001203874033 966805005 /nfs/dbraw/zinc/80/50/05/966805005.db2.gz LQQKBYREDKSMEA-LLVKDONJSA-N 0 3 237.299 1.445 20 10 BDCDHN Oc1ccc(CN2CC3CC(C3)C2)cc1O ZINC001203879802 966806136 /nfs/dbraw/zinc/80/61/36/966806136.db2.gz FIXZDBBUUJRKNW-UHFFFAOYSA-N 0 3 219.284 1.940 20 10 BDCDHN Oc1ccc(CN2CCC3(COC3)CC2)cc1O ZINC001203874402 966806306 /nfs/dbraw/zinc/80/63/06/966806306.db2.gz WEWPGXFWEMYCPO-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN C[C@@]1(O)CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203882935 966810378 /nfs/dbraw/zinc/81/03/78/966810378.db2.gz XQZOKHJJDXKSJP-CYBMUJFWSA-N 0 3 237.299 1.445 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CCCO1 ZINC001204273068 966954849 /nfs/dbraw/zinc/95/48/49/966954849.db2.gz WHPRQJHZOAICLC-JTQLQIEISA-N 0 3 237.299 1.709 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CCCO1 ZINC001204273068 966954854 /nfs/dbraw/zinc/95/48/54/966954854.db2.gz WHPRQJHZOAICLC-JTQLQIEISA-N 0 3 237.299 1.709 20 10 BDCDHN CCN(Cc1ccc(O)cc1O)C1CN(C)C1 ZINC001204277890 966961642 /nfs/dbraw/zinc/96/16/42/966961642.db2.gz NSUSJXKUZJFKAU-UHFFFAOYSA-N 0 3 236.315 1.234 20 10 BDCDHN CCN(C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340246 966974372 /nfs/dbraw/zinc/97/43/72/966974372.db2.gz JGHIXSRUYAQWIT-UHFFFAOYSA-N 0 3 211.261 1.558 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](CO)C(C)C)c([O-])c1 ZINC001207861968 968908439 /nfs/dbraw/zinc/90/84/39/968908439.db2.gz MWFNNOSJTLBTAJ-LBPRGKRZSA-N 0 3 223.316 1.807 20 10 BDCDHN COC(CN(C)Cc1cccc(C)c1O)OC ZINC001231593960 977643640 /nfs/dbraw/zinc/64/36/40/977643640.db2.gz QEUILWRKJJRDNA-UHFFFAOYSA-N 0 3 239.315 1.751 20 10 BDCDHN CN(Cc1cc(O)c(O)cc1O)[C@H]1CCOC1 ZINC001233485744 978611109 /nfs/dbraw/zinc/61/11/09/978611109.db2.gz JIHLTIBVVPMJDT-VIFPVBQESA-N 0 3 239.271 1.024 20 10 BDCDHN [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(F)ccc2[O-])C1 ZINC001206424680 978915421 /nfs/dbraw/zinc/91/54/21/978915421.db2.gz RPCBHZSMJAWIKC-GHMZBOCLSA-N 0 3 242.269 1.402 20 10 BDCDHN COc1cc(O)c(CN2CC=CC2)cc1OC ZINC001236751043 979723522 /nfs/dbraw/zinc/72/35/22/979723522.db2.gz OHAVGORMZVUPLR-UHFFFAOYSA-N 0 3 235.283 1.781 20 10 BDCDHN CCc1ccc(CN2CCN(C)CC2)c(O)c1 ZINC001236784387 979729330 /nfs/dbraw/zinc/72/93/30/979729330.db2.gz VXHUBELVYNTIJM-UHFFFAOYSA-N 0 3 234.343 1.702 20 10 BDCDHN COc1cc(C)c(C[N@@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001236812617 979739389 /nfs/dbraw/zinc/73/93/89/979739389.db2.gz AEIULPDPYRRINT-SNVBAGLBSA-N 0 3 237.299 1.276 20 10 BDCDHN COc1cc(C)c(C[N@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC001236812617 979739403 /nfs/dbraw/zinc/73/94/03/979739403.db2.gz AEIULPDPYRRINT-SNVBAGLBSA-N 0 3 237.299 1.276 20 10 BDCDHN CC[C@H](N)C[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001236884336 979778608 /nfs/dbraw/zinc/77/86/08/979778608.db2.gz OQVNFSRPASOCNB-VIFPVBQESA-N 0 3 244.285 1.840 20 10 BDCDHN CC[C@H](N)C[N@@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC001236884336 979778614 /nfs/dbraw/zinc/77/86/14/979778614.db2.gz OQVNFSRPASOCNB-VIFPVBQESA-N 0 3 244.285 1.840 20 10 BDCDHN CC[C@@H]([NH2+]C)C(=O)NCc1c([O-])cccc1F ZINC001342538438 979823261 /nfs/dbraw/zinc/82/32/61/979823261.db2.gz YQWPZTIGHLBFLZ-SNVBAGLBSA-N 0 3 240.278 1.146 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CC1COC1 ZINC001237487878 979917945 /nfs/dbraw/zinc/91/79/45/979917945.db2.gz OAFFNFOFBPMZDK-UHFFFAOYSA-N 0 3 221.300 1.779 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CC1COC1 ZINC001237487878 979917949 /nfs/dbraw/zinc/91/79/49/979917949.db2.gz OAFFNFOFBPMZDK-UHFFFAOYSA-N 0 3 221.300 1.779 20 10 BDCDHN COC(CN(C)Cc1c(C)cccc1O)OC ZINC001237487684 979919812 /nfs/dbraw/zinc/91/98/12/979919812.db2.gz KNZCOEUKHRWSBN-UHFFFAOYSA-N 0 3 239.315 1.751 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC001238060147 980134707 /nfs/dbraw/zinc/13/47/07/980134707.db2.gz FUIHDSZXVKRFTE-CABZTGNLSA-N 0 3 239.290 1.652 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC001238060147 980134711 /nfs/dbraw/zinc/13/47/11/980134711.db2.gz FUIHDSZXVKRFTE-CABZTGNLSA-N 0 3 239.290 1.652 20 10 BDCDHN C[C@H]1COC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000688046039 985526093 /nfs/dbraw/zinc/52/60/93/985526093.db2.gz GWKYORWWPOBGNY-GXSJLCMTSA-N 0 3 207.273 1.517 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H](O)C(C)(C)O)c1ccccc1[O-] ZINC001460635123 985868536 /nfs/dbraw/zinc/86/85/36/985868536.db2.gz BKCZUCCJJUHGBR-BXKDBHETSA-N 0 3 239.315 1.175 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)c([O-])c1 ZINC001462203783 986311512 /nfs/dbraw/zinc/31/15/12/986311512.db2.gz YANIUUQRYWXAEB-FZMZJTMJSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](O)C2)c([O-])c1 ZINC001462203783 986311523 /nfs/dbraw/zinc/31/15/23/986311523.db2.gz YANIUUQRYWXAEB-FZMZJTMJSA-N 0 3 235.327 1.903 20 10 BDCDHN COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]2C)c([O-])c1 ZINC001249178942 989264299 /nfs/dbraw/zinc/26/42/99/989264299.db2.gz WMSFNILGIOYYHP-SNVBAGLBSA-N 0 3 249.310 1.702 20 10 BDCDHN COC(=O)Cc1ccc(C[N@H+]2CC[C@H]2C)c([O-])c1 ZINC001249178942 989264312 /nfs/dbraw/zinc/26/43/12/989264312.db2.gz WMSFNILGIOYYHP-SNVBAGLBSA-N 0 3 249.310 1.702 20 10 BDCDHN CCN1CC[C@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC000389147133 993737152 /nfs/dbraw/zinc/73/71/52/993737152.db2.gz IMUGQMJCRFNXAC-NSHDSACASA-N 0 3 236.315 1.282 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](CO)C2)cc1C ZINC000092763681 178195440 /nfs/dbraw/zinc/19/54/40/178195440.db2.gz HJMOCFLFBFEXLT-LBPRGKRZSA-N 0 3 235.327 1.823 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](CO)C2)cc1C ZINC000092763681 178195442 /nfs/dbraw/zinc/19/54/42/178195442.db2.gz HJMOCFLFBFEXLT-LBPRGKRZSA-N 0 3 235.327 1.823 20 10 BDCDHN CCN1CCN(Cc2ccc(O)cc2O)CC1 ZINC000043151378 343464426 /nfs/dbraw/zinc/46/44/26/343464426.db2.gz NNSMNGHJYZNICL-UHFFFAOYSA-N 0 3 236.315 1.235 20 10 BDCDHN C[C@H](CCN(C)C)[NH2+]Cc1ccccc1[O-] ZINC000049551971 343602035 /nfs/dbraw/zinc/60/20/35/343602035.db2.gz FZVJFKUZOJVXRQ-LLVKDONJSA-N 0 3 222.332 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000092470831 345622191 /nfs/dbraw/zinc/62/21/91/345622191.db2.gz FXJMCFLFQDTULY-CYBMUJFWSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@@H]2CO)cc1C ZINC000092470831 345622194 /nfs/dbraw/zinc/62/21/94/345622194.db2.gz FXJMCFLFQDTULY-CYBMUJFWSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000272568232 179082404 /nfs/dbraw/zinc/08/24/04/179082404.db2.gz VHBPEGLBXDRAEN-NWDGAFQWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1[O-] ZINC000272568232 179082406 /nfs/dbraw/zinc/08/24/06/179082406.db2.gz VHBPEGLBXDRAEN-NWDGAFQWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[NH2+]CCc2cn[nH]c2)c1[O-] ZINC000291702579 179092893 /nfs/dbraw/zinc/09/28/93/179092893.db2.gz ZDNZRLWNPQFBQC-UHFFFAOYSA-N 0 3 231.299 1.756 20 10 BDCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC000275838246 351606786 /nfs/dbraw/zinc/60/67/86/351606786.db2.gz GNNPGQXEHTXDGN-ZDUSSCGKSA-N 0 3 235.327 1.985 20 10 BDCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC000275838246 351606789 /nfs/dbraw/zinc/60/67/89/351606789.db2.gz GNNPGQXEHTXDGN-ZDUSSCGKSA-N 0 3 235.327 1.985 20 10 BDCDHN CN1CC[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)C1 ZINC000292865473 188224573 /nfs/dbraw/zinc/22/45/73/188224573.db2.gz VUMHBBWDSLANHH-OAHLLOKOSA-N 0 3 246.354 1.920 20 10 BDCDHN CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)C1 ZINC000292865473 188224574 /nfs/dbraw/zinc/22/45/74/188224574.db2.gz VUMHBBWDSLANHH-OAHLLOKOSA-N 0 3 246.354 1.920 20 10 BDCDHN CO[C@H](C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000191208366 353448588 /nfs/dbraw/zinc/44/85/88/353448588.db2.gz PYIHIPXTZDBWOK-MRVPVSSYSA-N 0 3 239.271 1.245 20 10 BDCDHN CC(C)(C[NH2+][C@H]1CCc2cccc([O-])c21)C(N)=O ZINC000296766393 364785517 /nfs/dbraw/zinc/78/55/17/364785517.db2.gz KIAICKZQGBIELF-JTQLQIEISA-N 0 3 248.326 1.481 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000292746764 183124432 /nfs/dbraw/zinc/12/44/32/183124432.db2.gz QZMRUAVGRGGPMP-NEPJUHHUSA-N 0 3 237.299 1.022 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364506965 183302149 /nfs/dbraw/zinc/30/21/49/183302149.db2.gz HHSNOSAITZGYSQ-LBPRGKRZSA-N 0 3 244.298 1.431 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](n2cncn2)C1 ZINC000364506965 183302153 /nfs/dbraw/zinc/30/21/53/183302153.db2.gz HHSNOSAITZGYSQ-LBPRGKRZSA-N 0 3 244.298 1.431 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689765 183303224 /nfs/dbraw/zinc/30/32/24/183303224.db2.gz LMGIFYVRRWQZES-WZRBSPASSA-N 0 3 219.284 1.802 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375803998 183303892 /nfs/dbraw/zinc/30/38/92/183303892.db2.gz GEVCGDICECNESJ-CNDDSTCGSA-N 0 3 219.284 1.374 20 10 BDCDHN CCCN(Cc1ccccc1[O-])[C@H]1CC[NH2+]C1 ZINC000071314717 169179817 /nfs/dbraw/zinc/17/98/17/169179817.db2.gz CNQSVLXFNOKJTI-ZDUSSCGKSA-N 0 3 234.343 1.966 20 10 BDCDHN CN(Cc1ccccc1O)C(=O)[C@@H]1CCCCN1 ZINC000037823729 384023627 /nfs/dbraw/zinc/02/36/27/384023627.db2.gz ABWXKPISCDTETJ-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN CC[C@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823776 384023731 /nfs/dbraw/zinc/02/37/31/384023731.db2.gz MVFBZCMJGDJGAD-JTQLQIEISA-N 0 3 222.288 1.088 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)CC(C)(C)O)c1 ZINC000093414689 384236897 /nfs/dbraw/zinc/23/68/97/384236897.db2.gz BJMUBQTUEMGUFP-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)CC(C)(C)O)c1 ZINC000093414689 384236903 /nfs/dbraw/zinc/23/69/03/384236903.db2.gz BJMUBQTUEMGUFP-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1cnn(C)c1 ZINC000135192505 384421687 /nfs/dbraw/zinc/42/16/87/384421687.db2.gz YKXHMFXHNJGHDZ-JTQLQIEISA-N 0 3 231.299 1.977 20 10 BDCDHN CC[C@H](O)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000162707492 384671950 /nfs/dbraw/zinc/67/19/50/384671950.db2.gz OGZPYHXVMOFFQT-LBPRGKRZSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000083216068 384752851 /nfs/dbraw/zinc/75/28/51/384752851.db2.gz XZLJDFQLWLQPHY-QWRGUYRKSA-N 0 3 223.316 1.980 20 10 BDCDHN CCN(C)CC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000054110038 384821648 /nfs/dbraw/zinc/82/16/48/384821648.db2.gz KWZSUBWUUTWEMZ-UHFFFAOYSA-N 0 3 238.331 1.442 20 10 BDCDHN CCN(C)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000054109900 384823064 /nfs/dbraw/zinc/82/30/64/384823064.db2.gz LUTYLGZTIPELIF-UHFFFAOYSA-N 0 3 238.331 1.442 20 10 BDCDHN C/C=C/C[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000186534919 384851631 /nfs/dbraw/zinc/85/16/31/384851631.db2.gz ADFDMLPOGHAZDT-QAVQXKDTSA-N 0 3 239.290 1.948 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)C[S@@](C)=O)c1 ZINC000164301496 384958482 /nfs/dbraw/zinc/95/84/82/384958482.db2.gz VZIPTOJJZANOFJ-HWPZZCPQSA-N 0 3 241.356 1.557 20 10 BDCDHN CC(C)[C@H](C(=O)Nc1ccc(N)cc1)N(C)C ZINC000062461296 385173721 /nfs/dbraw/zinc/17/37/21/385173721.db2.gz SBNLBKPBQKOKLN-GFCCVEGCSA-N 0 3 235.331 1.794 20 10 BDCDHN CC[C@H](O)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000131722586 385356229 /nfs/dbraw/zinc/35/62/29/385356229.db2.gz ZLQWZRKNXMUUNK-LBPRGKRZSA-N 0 3 223.316 1.951 20 10 BDCDHN CCOc1cccc(C[NH2+]CCCCO)c1[O-] ZINC000193282975 385391236 /nfs/dbraw/zinc/39/12/36/385391236.db2.gz SFOMVONLTQGYRB-UHFFFAOYSA-N 0 3 239.315 1.653 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)CCCO)c1 ZINC000281797411 385702753 /nfs/dbraw/zinc/70/27/53/385702753.db2.gz OPQPQCMEFXYIMW-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)CCCO)c1 ZINC000281797411 385702757 /nfs/dbraw/zinc/70/27/57/385702757.db2.gz OPQPQCMEFXYIMW-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN CCOc1cccc(C[N@H+](CC)CCO)c1[O-] ZINC000270986580 385768196 /nfs/dbraw/zinc/76/81/96/385768196.db2.gz GHDNMUFNGFHNTH-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCOc1cccc(C[N@@H+](CC)CCO)c1[O-] ZINC000270986580 385768199 /nfs/dbraw/zinc/76/81/99/385768199.db2.gz GHDNMUFNGFHNTH-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN COC[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000183634008 385781864 /nfs/dbraw/zinc/78/18/64/385781864.db2.gz KRTACYMXVCXYSE-QWRGUYRKSA-N 0 3 239.315 1.440 20 10 BDCDHN CCOc1ccc(O)c(CN2CC[C@H](O)C2)c1 ZINC000271091707 385784289 /nfs/dbraw/zinc/78/42/89/385784289.db2.gz LCANGIFNLCIULO-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN CCOc1ccc([O-])c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000271091707 385784293 /nfs/dbraw/zinc/78/42/93/385784293.db2.gz LCANGIFNLCIULO-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN CCOc1ccc([O-])c(C[N@H+]2CC[C@H](O)C2)c1 ZINC000271091707 385784299 /nfs/dbraw/zinc/78/42/99/385784299.db2.gz LCANGIFNLCIULO-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000272355110 385898220 /nfs/dbraw/zinc/89/82/20/385898220.db2.gz DQWGERXUKJTDKS-ZANVPECISA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000272355110 385898224 /nfs/dbraw/zinc/89/82/24/385898224.db2.gz DQWGERXUKJTDKS-ZANVPECISA-N 0 3 239.290 1.734 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000296026750 386123696 /nfs/dbraw/zinc/12/36/96/386123696.db2.gz SMCBTWJNNKXQTI-GARJFASQSA-N 0 3 221.300 1.875 20 10 BDCDHN C[C@]1([NH2+]Cc2cc(F)ccc2[O-])CCOC1 ZINC000226617983 386343695 /nfs/dbraw/zinc/34/36/95/386343695.db2.gz AYWIXZYERFAXMN-LBPRGKRZSA-N 0 3 225.263 1.800 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000295851586 386708854 /nfs/dbraw/zinc/70/88/54/386708854.db2.gz DYLBHEQSEROZOG-GARJFASQSA-N 0 3 221.300 1.875 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000295972589 386705739 /nfs/dbraw/zinc/70/57/39/386705739.db2.gz NZAITOBZQDNQSU-BBBLOLIVSA-N 0 3 207.273 1.566 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000295972591 386706363 /nfs/dbraw/zinc/70/63/63/386706363.db2.gz NZAITOBZQDNQSU-LPEHRKFASA-N 0 3 207.273 1.566 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000368135265 386945711 /nfs/dbraw/zinc/94/57/11/386945711.db2.gz PDZODWCSPJRYLS-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000368135265 386945713 /nfs/dbraw/zinc/94/57/13/386945713.db2.gz PDZODWCSPJRYLS-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN C[C@H](NCc1cnnn1C)c1ccccc1O ZINC000287465635 387444922 /nfs/dbraw/zinc/44/49/22/387444922.db2.gz WBXCVXXDJHWYIQ-VIFPVBQESA-N 0 3 232.287 1.372 20 10 BDCDHN C[C@@H](NCc1cnnn1C)c1ccccc1O ZINC000287465632 387445660 /nfs/dbraw/zinc/44/56/60/387445660.db2.gz WBXCVXXDJHWYIQ-SECBINFHSA-N 0 3 232.287 1.372 20 10 BDCDHN Cc1ccc([C@@H](C)NCc2cnnn2C)c(O)c1 ZINC000287467602 387446578 /nfs/dbraw/zinc/44/65/78/387446578.db2.gz WCWUVCXMSZZQQG-SNVBAGLBSA-N 0 3 246.314 1.680 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1[O-] ZINC000367688255 388566634 /nfs/dbraw/zinc/56/66/34/388566634.db2.gz MKZSKZIGPMVZKI-JHEVNIALSA-N 0 3 233.311 1.935 20 10 BDCDHN CC[C@@H]([NH2+]CCn1cncn1)c1ccccc1[O-] ZINC000271703510 389023870 /nfs/dbraw/zinc/02/38/70/389023870.db2.gz NBWAGIIITRNUKP-GFCCVEGCSA-N 0 3 246.314 1.725 20 10 BDCDHN CC1(O)CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179576310 168067304 /nfs/dbraw/zinc/06/73/04/168067304.db2.gz FVLITFIKVJIFOH-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN COCCCC[NH2+]Cc1ccccc1[O-] ZINC000044655363 174199783 /nfs/dbraw/zinc/19/97/83/174199783.db2.gz UAACRXISOTWNLY-UHFFFAOYSA-N 0 3 209.289 1.908 20 10 BDCDHN COCCNCc1ccc2c(c1)CCO2 ZINC000037362329 174336232 /nfs/dbraw/zinc/33/62/32/174336232.db2.gz LRPIOJSJHLZCIG-UHFFFAOYSA-N 0 3 207.273 1.358 20 10 BDCDHN COCCOCC[NH2+]Cc1cccc(C)c1[O-] ZINC000124736076 174357267 /nfs/dbraw/zinc/35/72/67/174357267.db2.gz ZYJTVZSPFVEPRT-UHFFFAOYSA-N 0 3 239.315 1.453 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C2(CO)CCC2)c1 ZINC000165391459 175157403 /nfs/dbraw/zinc/15/74/03/175157403.db2.gz GBLYHXRSAFDDMR-UHFFFAOYSA-N 0 3 237.299 1.405 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)[C@@H](C)CO)c1 ZINC000289458014 175157626 /nfs/dbraw/zinc/15/76/26/175157626.db2.gz OCCWTBIWFOASJU-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CO)c1 ZINC000289458014 175157627 /nfs/dbraw/zinc/15/76/27/175157627.db2.gz OCCWTBIWFOASJU-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCO)c1 ZINC000020597021 175160543 /nfs/dbraw/zinc/16/05/43/175160543.db2.gz PHBPHYBFHIKZNL-QMMMGPOBSA-N 0 3 211.261 1.044 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000035601838 175160993 /nfs/dbraw/zinc/16/09/93/175160993.db2.gz UVAXSFWALKDRRH-BDAKNGLRSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1cccc(C[NH2+]C[C@@H](C)CO)c1[O-] ZINC000082367472 175265027 /nfs/dbraw/zinc/26/50/27/175265027.db2.gz VSASQVUFQMZYCJ-SECBINFHSA-N 0 3 225.288 1.119 20 10 BDCDHN COc1cccc(CNCc2cnn(C)c2)c1O ZINC000020352695 175266015 /nfs/dbraw/zinc/26/60/15/175266015.db2.gz KCYIOWQICHTRHY-UHFFFAOYSA-N 0 3 247.298 1.424 20 10 BDCDHN COc1cccc(C[NH2+][C@@H](C)CCO)c1[O-] ZINC000096811446 175266250 /nfs/dbraw/zinc/26/62/50/175266250.db2.gz BXCMUMWKWMLRFI-VIFPVBQESA-N 0 3 225.288 1.261 20 10 BDCDHN COc1cccc(C[NH2+][C@@]2(C)CCOC2)c1[O-] ZINC000120242524 175266479 /nfs/dbraw/zinc/26/64/79/175266479.db2.gz ROOCMPHTNIZJDR-ZDUSSCGKSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1cccc(C[NH2+][C@H](C)CCO)c1[O-] ZINC000096811447 175267450 /nfs/dbraw/zinc/26/74/50/175267450.db2.gz BXCMUMWKWMLRFI-SECBINFHSA-N 0 3 225.288 1.261 20 10 BDCDHN COc1cccc(C[NH2+][C@H](C)[C@@H](C)OC)c1[O-] ZINC000289739763 175267839 /nfs/dbraw/zinc/26/78/39/175267839.db2.gz HKNJXTOKHNKFBH-NXEZZACHSA-N 0 3 239.315 1.914 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccccc1[O-] ZINC000038060525 175894739 /nfs/dbraw/zinc/89/47/39/175894739.db2.gz RGYADTQDGYJZCU-MNOVXSKESA-N 0 3 237.299 1.458 20 10 BDCDHN C[C@@H]1C[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134228075 176396820 /nfs/dbraw/zinc/39/68/20/176396820.db2.gz YRVMBJJOFHNVQQ-RKDXNWHRSA-N 0 3 235.283 1.867 20 10 BDCDHN C[C@H]([NH2+]CC1(C)OCCO1)c1ccccc1[O-] ZINC000183634963 176835284 /nfs/dbraw/zinc/83/52/84/176835284.db2.gz UGZXZNAWYNRMJK-JTQLQIEISA-N 0 3 237.299 1.806 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000296052682 518189398 /nfs/dbraw/zinc/18/93/98/518189398.db2.gz VGJXPMAPCXAGSA-UFGOTCBOSA-N 0 3 237.299 1.111 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)C[S@](C)=O)c([O-])c1 ZINC000877311334 583312014 /nfs/dbraw/zinc/31/20/14/583312014.db2.gz VUJHZZQRXFOGIF-HWPZZCPQSA-N 0 3 241.356 1.557 20 10 BDCDHN C[NH2+]C[C@@H](C)NCc1cc(Cl)ccc1[O-] ZINC000853250083 588729356 /nfs/dbraw/zinc/72/93/56/588729356.db2.gz ZSZFOWNBKWUQTA-MRVPVSSYSA-N 0 3 228.723 1.743 20 10 BDCDHN CC(=O)OC[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000892793021 582983420 /nfs/dbraw/zinc/98/34/20/582983420.db2.gz KIOAHMCMPNJZNB-SNVBAGLBSA-N 0 3 249.310 1.663 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000814172966 583342357 /nfs/dbraw/zinc/34/23/57/583342357.db2.gz DSNRVZHRZRPGMR-GXTWGEPZSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000814172966 583342358 /nfs/dbraw/zinc/34/23/58/583342358.db2.gz DSNRVZHRZRPGMR-GXTWGEPZSA-N 0 3 246.354 1.837 20 10 BDCDHN CN(C)c1ccc(CNCc2cnc[nH]2)cc1F ZINC000894207891 583355863 /nfs/dbraw/zinc/35/58/63/583355863.db2.gz ANZJIKPZUPJXNC-UHFFFAOYSA-N 0 3 248.305 1.905 20 10 BDCDHN CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000895852225 583736672 /nfs/dbraw/zinc/73/66/72/583736672.db2.gz RUAOOHHROVOEAM-NXEZZACHSA-N 0 3 237.299 1.994 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896383885 583798254 /nfs/dbraw/zinc/79/82/54/583798254.db2.gz GDFMPMQGEJJFPT-GFCCVEGCSA-N 0 3 249.310 1.587 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896383885 583798256 /nfs/dbraw/zinc/79/82/56/583798256.db2.gz GDFMPMQGEJJFPT-GFCCVEGCSA-N 0 3 249.310 1.587 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C1CC(CC(N)=O)C1 ZINC000896406880 583800681 /nfs/dbraw/zinc/80/06/81/583800681.db2.gz KIQCKZDGBVWSQK-UHFFFAOYSA-N 0 3 248.326 1.444 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCN(C)C1 ZINC000729682099 584022873 /nfs/dbraw/zinc/02/28/73/584022873.db2.gz MSUAVARAYIZSTL-SNVBAGLBSA-N 0 3 236.315 1.195 20 10 BDCDHN C[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000897681307 584039707 /nfs/dbraw/zinc/03/97/07/584039707.db2.gz QTPLAMHWUUHTPT-QPUJVOFHSA-N 0 3 225.263 1.344 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000897681307 584039709 /nfs/dbraw/zinc/03/97/09/584039709.db2.gz QTPLAMHWUUHTPT-QPUJVOFHSA-N 0 3 225.263 1.344 20 10 BDCDHN COc1ccc(CN[C@]2(C)CCNC2=O)cc1C ZINC000897873902 584056749 /nfs/dbraw/zinc/05/67/49/584056749.db2.gz ROAYHSHCHCQDFL-CQSZACIVSA-N 0 3 248.326 1.372 20 10 BDCDHN Cc1cc(C)c(O)c(CN2CC[C@@H]2CO)c1 ZINC000902629893 584646177 /nfs/dbraw/zinc/64/61/77/584646177.db2.gz JQONPYUALCYPEY-GFCCVEGCSA-N 0 3 221.300 1.576 20 10 BDCDHN COc1cc(C)cc(CN2CC[C@H]2CO)c1O ZINC000902629258 584646521 /nfs/dbraw/zinc/64/65/21/584646521.db2.gz ARVGDIKOIIGDRH-NSHDSACASA-N 0 3 237.299 1.276 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841077320 584787772 /nfs/dbraw/zinc/78/77/72/584787772.db2.gz AGUBAWSSEPNQDR-QWRGUYRKSA-N 0 3 242.269 1.321 20 10 BDCDHN CN(C)C(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000731842864 584929604 /nfs/dbraw/zinc/92/96/04/584929604.db2.gz MDNDNHXLRUHSQT-UHFFFAOYSA-N 0 3 236.315 1.302 20 10 BDCDHN CN(C)C(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000731842864 584929605 /nfs/dbraw/zinc/92/96/05/584929605.db2.gz MDNDNHXLRUHSQT-UHFFFAOYSA-N 0 3 236.315 1.302 20 10 BDCDHN CCOc1ccc(C[NH2+]CC(C)(C)O)c([O-])c1 ZINC000732229575 584934711 /nfs/dbraw/zinc/93/47/11/584934711.db2.gz KMKFBJYKTNEWSL-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@H](N)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971845 584993364 /nfs/dbraw/zinc/99/33/64/584993364.db2.gz HTTHQUSQVAMYDZ-BQBZGAKWSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@H]([NH3+])CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971845 584993365 /nfs/dbraw/zinc/99/33/65/584993365.db2.gz HTTHQUSQVAMYDZ-BQBZGAKWSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@H](CN)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817965899 584993472 /nfs/dbraw/zinc/99/34/72/584993472.db2.gz FADKZQPUNAYFNI-SFYZADRCSA-N 0 3 212.268 1.529 20 10 BDCDHN CC[N@H+](CCOC)Cc1c([O-])cccc1OC ZINC000768251376 585535000 /nfs/dbraw/zinc/53/50/00/585535000.db2.gz CEZXOWUEELDWMS-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CC[N@@H+](CCOC)Cc1c([O-])cccc1OC ZINC000768251376 585535001 /nfs/dbraw/zinc/53/50/01/585535001.db2.gz CEZXOWUEELDWMS-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CCN(C)c1ccc(CN2CCN(C)CC2)cc1 ZINC000773733717 585643031 /nfs/dbraw/zinc/64/30/31/585643031.db2.gz ZIDBEJZZFKQLBZ-UHFFFAOYSA-N 0 3 247.386 1.890 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783745335 585841464 /nfs/dbraw/zinc/84/14/64/585841464.db2.gz VTEDGKPWYDRFPN-WCQYABFASA-N 0 3 219.284 1.206 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783745335 585841465 /nfs/dbraw/zinc/84/14/65/585841465.db2.gz VTEDGKPWYDRFPN-WCQYABFASA-N 0 3 219.284 1.206 20 10 BDCDHN C[C@]1(CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000788435846 585923303 /nfs/dbraw/zinc/92/33/03/585923303.db2.gz NNQICOACMHOXLY-CYBMUJFWSA-N 0 3 221.300 1.739 20 10 BDCDHN C[C@]1(CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000788435846 585923304 /nfs/dbraw/zinc/92/33/04/585923304.db2.gz NNQICOACMHOXLY-CYBMUJFWSA-N 0 3 221.300 1.739 20 10 BDCDHN CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000812778599 586583874 /nfs/dbraw/zinc/58/38/74/586583874.db2.gz MEBCEUMMSJZUFF-LBPRGKRZSA-N 0 3 239.290 1.877 20 10 BDCDHN CC1(C)[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000812778599 586583875 /nfs/dbraw/zinc/58/38/75/586583875.db2.gz MEBCEUMMSJZUFF-LBPRGKRZSA-N 0 3 239.290 1.877 20 10 BDCDHN Oc1cc2c(cc1CN1CC(C3CC3)C1)OCO2 ZINC000812775738 586583980 /nfs/dbraw/zinc/58/39/80/586583980.db2.gz NTXLVHDDZUBPLR-UHFFFAOYSA-N 0 3 247.294 1.963 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000814172644 586615640 /nfs/dbraw/zinc/61/56/40/586615640.db2.gz XOJVZOOEYSJOLE-IAZYJMLFSA-N 0 3 249.310 1.071 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000814172644 586615641 /nfs/dbraw/zinc/61/56/41/586615641.db2.gz XOJVZOOEYSJOLE-IAZYJMLFSA-N 0 3 249.310 1.071 20 10 BDCDHN C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccccc1[O-] ZINC000817586748 586812760 /nfs/dbraw/zinc/81/27/60/586812760.db2.gz RUNZFEFKRYHTQY-JTQLQIEISA-N 0 3 248.326 1.698 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1[O-] ZINC000817942132 586845585 /nfs/dbraw/zinc/84/55/85/586845585.db2.gz XADDSTHUDCLDOS-MWLCHTKSSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817942132 586845586 /nfs/dbraw/zinc/84/55/86/586845586.db2.gz XADDSTHUDCLDOS-MWLCHTKSSA-N 0 3 238.306 1.934 20 10 BDCDHN CC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000817944915 586845854 /nfs/dbraw/zinc/84/58/54/586845854.db2.gz OYTKDFREGPLTGM-ZYHUDNBSSA-N 0 3 220.316 1.795 20 10 BDCDHN CC[NH2+]CCN[C@@H](C)c1ccc(F)cc1[O-] ZINC000817952137 586848328 /nfs/dbraw/zinc/84/83/28/586848328.db2.gz NYVGPCGZHLAZMX-VIFPVBQESA-N 0 3 226.295 1.791 20 10 BDCDHN CCNCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817952137 586848330 /nfs/dbraw/zinc/84/83/30/586848330.db2.gz NYVGPCGZHLAZMX-VIFPVBQESA-N 0 3 226.295 1.791 20 10 BDCDHN C[C@@H](NCCc1ccc(N)cc1)c1ccn(C)n1 ZINC000817957991 586850771 /nfs/dbraw/zinc/85/07/71/586850771.db2.gz RUWXARZIQYCORF-LLVKDONJSA-N 0 3 244.342 1.896 20 10 BDCDHN C[C@H](C[NH3+])N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817966165 586855544 /nfs/dbraw/zinc/85/55/44/586855544.db2.gz HSBGQOJGUUCJRH-SFYZADRCSA-N 0 3 239.275 1.298 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CN)c1cc(F)cc(F)c1[O-] ZINC000817969363 586856141 /nfs/dbraw/zinc/85/61/41/586856141.db2.gz CPRHXCGBDGRQNH-NKWVEPMBSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@@H](N[C@@H](C)C[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817969363 586856144 /nfs/dbraw/zinc/85/61/44/586856144.db2.gz CPRHXCGBDGRQNH-NKWVEPMBSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)c1cc(F)ccc1[O-])[C@H](C)N ZINC000817977619 586859958 /nfs/dbraw/zinc/85/99/58/586859958.db2.gz LRJWHDWNULJTKD-YIZRAAEISA-N 0 3 226.295 1.918 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccccc1[O-] ZINC000817976847 586860560 /nfs/dbraw/zinc/86/05/60/586860560.db2.gz VLXBKAZERBGAKS-DCAQKATOSA-N 0 3 238.306 1.743 20 10 BDCDHN [O-]c1cccc2c1[C@H](N[C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000817977857 586861629 /nfs/dbraw/zinc/86/16/29/586861629.db2.gz QRFQEIQFPYKSDP-DEKYYXRVSA-N 0 3 230.311 1.187 20 10 BDCDHN CN(C)c1ccc(CN[C@@H]2CC[C@H]2O)cc1F ZINC000818231027 586880741 /nfs/dbraw/zinc/88/07/41/586880741.db2.gz NEIHUOBKQHRTNI-DGCLKSJQSA-N 0 3 238.306 1.505 20 10 BDCDHN CC[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000824533277 587273488 /nfs/dbraw/zinc/27/34/88/587273488.db2.gz COGCNRULADXUIM-NSHDSACASA-N 0 3 227.279 1.734 20 10 BDCDHN CC[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000824533277 587273489 /nfs/dbraw/zinc/27/34/89/587273489.db2.gz COGCNRULADXUIM-NSHDSACASA-N 0 3 227.279 1.734 20 10 BDCDHN C[C@@H]1[C@H](O)CC[N@H+]1Cc1ccccc1[O-] ZINC000825104422 587304886 /nfs/dbraw/zinc/30/48/86/587304886.db2.gz WPZVEHSJRPGVEZ-MWLCHTKSSA-N 0 3 207.273 1.347 20 10 BDCDHN C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1[O-] ZINC000825104422 587304884 /nfs/dbraw/zinc/30/48/84/587304884.db2.gz WPZVEHSJRPGVEZ-MWLCHTKSSA-N 0 3 207.273 1.347 20 10 BDCDHN NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000825279039 587312960 /nfs/dbraw/zinc/31/29/60/587312960.db2.gz LUIZQYBUZALJIP-KOLCDFICSA-N 0 3 234.299 1.136 20 10 BDCDHN C[C@H](O)C1([NH2+]Cc2cc(F)ccc2[O-])CC1 ZINC000827585166 587390198 /nfs/dbraw/zinc/39/01/98/587390198.db2.gz BDHZIOKTOLIBAN-QMMMGPOBSA-N 0 3 225.263 1.534 20 10 BDCDHN CCCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832286101 587653385 /nfs/dbraw/zinc/65/33/85/587653385.db2.gz WDLJSLLOJJQORV-CYBMUJFWSA-N 0 3 249.358 1.669 20 10 BDCDHN [O-]c1cccc(Cl)c1CNC[C@H]1CCC[NH2+]1 ZINC000841035681 587937786 /nfs/dbraw/zinc/93/77/86/587937786.db2.gz JSOXUVIJGJNIHX-SECBINFHSA-N 0 3 240.734 1.887 20 10 BDCDHN C[C@@H](N)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841080728 587942724 /nfs/dbraw/zinc/94/27/24/587942724.db2.gz QFVUSOVYXAYLSC-SFYZADRCSA-N 0 3 228.723 1.871 20 10 BDCDHN CC(C)(C)[C@H](CN)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841087887 587945409 /nfs/dbraw/zinc/94/54/09/587945409.db2.gz SYIANBPSWHCXFF-LBPRGKRZSA-N 0 3 240.322 1.994 20 10 BDCDHN CC(C)(C)[C@@H](CN)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841087884 587946053 /nfs/dbraw/zinc/94/60/53/587946053.db2.gz SYIANBPSWHCXFF-GFCCVEGCSA-N 0 3 240.322 1.994 20 10 BDCDHN Cn1cnc(CCC[NH2+]Cc2ccccc2[O-])n1 ZINC000842737289 588057753 /nfs/dbraw/zinc/05/77/53/588057753.db2.gz MRUNEDFQCILBAL-UHFFFAOYSA-N 0 3 246.314 1.243 20 10 BDCDHN C[C@H]([NH3+])[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843058756 588077628 /nfs/dbraw/zinc/07/76/28/588077628.db2.gz XNTFKSGCMNVVJB-VHSXEESVSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@@H]1C[C@@H](CN)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843058048 588077907 /nfs/dbraw/zinc/07/79/07/588077907.db2.gz NZRRFYRTVYDVOW-ZJUUUORDSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@@H]1C[C@@H](CN)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000843058048 588077908 /nfs/dbraw/zinc/07/79/08/588077908.db2.gz NZRRFYRTVYDVOW-ZJUUUORDSA-N 0 3 238.306 1.700 20 10 BDCDHN Cc1cc([O-])c(CN(C)C2C[NH2+]C2)c(Cl)c1 ZINC000843125889 588084231 /nfs/dbraw/zinc/08/42/31/588084231.db2.gz BYUJBPIIFNKSPX-UHFFFAOYSA-N 0 3 240.734 1.758 20 10 BDCDHN COc1cccc(C[N@H+](C)[C@H](C)CCO)c1[O-] ZINC000846108572 588257007 /nfs/dbraw/zinc/25/70/07/588257007.db2.gz BLAJYDWSRNXJHO-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(C[N@@H+](C)[C@H](C)CCO)c1[O-] ZINC000846108572 588257008 /nfs/dbraw/zinc/25/70/08/588257008.db2.gz BLAJYDWSRNXJHO-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC2)c1[O-] ZINC000846158495 588258740 /nfs/dbraw/zinc/25/87/40/588258740.db2.gz ZWTBGEHJIMZEKJ-NXEZZACHSA-N 0 3 237.299 1.840 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H](CO)CCF)CC2 ZINC000846210320 588259712 /nfs/dbraw/zinc/25/97/12/588259712.db2.gz XZNCRZMAPNEVPG-QWRGUYRKSA-N 0 3 239.290 1.690 20 10 BDCDHN COc1ccc(CNC(=[NH2+])N(C)C2CC2)c([O-])c1 ZINC000849024998 588440200 /nfs/dbraw/zinc/44/02/00/588440200.db2.gz IZOFPJZSEFJSKO-UHFFFAOYSA-N 0 3 249.314 1.519 20 10 BDCDHN NC1(C[NH2+]Cc2cccc(F)c2[O-])CCCC1 ZINC000849349835 588475017 /nfs/dbraw/zinc/47/50/17/588475017.db2.gz KNXDWFDOIOOWQP-UHFFFAOYSA-N 0 3 238.306 1.892 20 10 BDCDHN [NH3+]C1(CNCc2cccc(F)c2[O-])CCCC1 ZINC000849349835 588475018 /nfs/dbraw/zinc/47/50/18/588475018.db2.gz KNXDWFDOIOOWQP-UHFFFAOYSA-N 0 3 238.306 1.892 20 10 BDCDHN CN(C)c1ccc(/C=C/CN[C@H]2C[C@H](O)C2)cc1 ZINC000850417732 588545183 /nfs/dbraw/zinc/54/51/83/588545183.db2.gz JWKRTKKGNKTYIK-RNOWMZIFSA-N 0 3 246.354 1.879 20 10 BDCDHN CC[C@H]([NH2+]CCN(C)OC)c1ccccc1[O-] ZINC000850479159 588550452 /nfs/dbraw/zinc/55/04/52/588550452.db2.gz MPCOOTDJIPKODI-LBPRGKRZSA-N 0 3 238.331 1.926 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]C/C=C\CO)c1[O-] ZINC000850510220 588554799 /nfs/dbraw/zinc/55/47/99/588554799.db2.gz VZCLDENULHUBDD-XOULXFPDSA-N 0 3 237.299 1.600 20 10 BDCDHN C[C@@H]1CC[C@H](NCc2cc(F)ccc2[O-])C[NH2+]1 ZINC000863484633 589293029 /nfs/dbraw/zinc/29/30/29/589293029.db2.gz KDHJOHLQDZFPQV-SKDRFNHKSA-N 0 3 238.306 1.761 20 10 BDCDHN COc1cccc([O-])c1CN[C@@H]1CC[NH2+][C@H]1C ZINC000863486982 589293291 /nfs/dbraw/zinc/29/32/91/589293291.db2.gz HPMQZYGPZKJLFF-GXSJLCMTSA-N 0 3 236.315 1.241 20 10 BDCDHN COc1ccc([O-])c(CNC(=[NH2+])N[C@@H]2C[C@H]2C)c1 ZINC000864462054 589369082 /nfs/dbraw/zinc/36/90/82/589369082.db2.gz RCQWKHIPLSHDHQ-LDYMZIIASA-N 0 3 249.314 1.423 20 10 BDCDHN O=C1OCC[C@@H]1CCC[NH2+]Cc1ccccc1[O-] ZINC000873162888 589989568 /nfs/dbraw/zinc/98/95/68/589989568.db2.gz QCVOFCDFENPSGW-NSHDSACASA-N 0 3 249.310 1.825 20 10 BDCDHN Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)c([O-])c1 ZINC000876526946 590208988 /nfs/dbraw/zinc/20/89/88/590208988.db2.gz LPVZXQWDIKKGQS-UHFFFAOYSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@](C)(O)C1 ZINC000876791705 590242158 /nfs/dbraw/zinc/24/21/58/590242158.db2.gz PAHHCSASPJDCGK-ZDUSSCGKSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@](C)(O)C1 ZINC000876791705 590242156 /nfs/dbraw/zinc/24/21/56/590242156.db2.gz PAHHCSASPJDCGK-ZDUSSCGKSA-N 0 3 221.300 1.657 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2ccc(C)cc2[O-])C[C@H]1O ZINC000876814353 590245680 /nfs/dbraw/zinc/24/56/80/590245680.db2.gz DZQCRRINBWYFHW-SMDDNHRTSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2ccc(C)cc2[O-])C[C@H]1O ZINC000876814353 590245682 /nfs/dbraw/zinc/24/56/82/590245682.db2.gz DZQCRRINBWYFHW-SMDDNHRTSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)c([O-])c1 ZINC000877027261 590271020 /nfs/dbraw/zinc/27/10/20/590271020.db2.gz LXPUFCUPGKJEMY-CQSZACIVSA-N 0 3 235.327 1.951 20 10 BDCDHN CC(C)[C@H](C(=O)N(C)c1ccc(N)cc1)N(C)C ZINC000877077474 590278645 /nfs/dbraw/zinc/27/86/45/590278645.db2.gz JOYQZAIWTPUCQY-CYBMUJFWSA-N 0 3 249.358 1.818 20 10 BDCDHN COC[C@@H](C[NH2+]Cc1c(C)cccc1[O-])OC ZINC000877189185 590299259 /nfs/dbraw/zinc/29/92/59/590299259.db2.gz KXQRFCFDSHFDRC-LLVKDONJSA-N 0 3 239.315 1.452 20 10 BDCDHN C[C@@H](NC(=O)C1(N)CCCC1)c1ccccc1O ZINC000877255466 590304233 /nfs/dbraw/zinc/30/42/33/590304233.db2.gz DSGNVDJKVALNNE-SNVBAGLBSA-N 0 3 248.326 1.841 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCC(C)(C)O ZINC000877422724 590325395 /nfs/dbraw/zinc/32/53/95/590325395.db2.gz XSJIZSYAPKXIKK-UHFFFAOYSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c([O-])c1 ZINC000877468609 590334307 /nfs/dbraw/zinc/33/43/07/590334307.db2.gz KXUIHLHFVQWGLU-WCQYABFASA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H]3CN(C)C[C@H]3C2)c([O-])c1 ZINC000877482853 590338050 /nfs/dbraw/zinc/33/80/50/590338050.db2.gz IRXKIQGSYRGHAK-OKILXGFUSA-N 0 3 246.354 1.694 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H]3CN(C)C[C@H]3C2)c([O-])c1 ZINC000877482853 590338052 /nfs/dbraw/zinc/33/80/52/590338052.db2.gz IRXKIQGSYRGHAK-OKILXGFUSA-N 0 3 246.354 1.694 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000877485761 590339166 /nfs/dbraw/zinc/33/91/66/590339166.db2.gz GHVFELUUMLFOQX-CYBMUJFWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000877485761 590339168 /nfs/dbraw/zinc/33/91/68/590339168.db2.gz GHVFELUUMLFOQX-CYBMUJFWSA-N 0 3 235.327 1.903 20 10 BDCDHN COCC[C@H](CO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877501014 590340967 /nfs/dbraw/zinc/34/09/67/590340967.db2.gz KYVMISZWHJSKOR-GFCCVEGCSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC2(COC2)C1 ZINC000877639197 590381568 /nfs/dbraw/zinc/38/15/68/590381568.db2.gz XVUVCSYCQKBFKT-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC2(COC2)C1 ZINC000877639197 590381570 /nfs/dbraw/zinc/38/15/70/590381570.db2.gz XVUVCSYCQKBFKT-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000877667112 590389607 /nfs/dbraw/zinc/38/96/07/590389607.db2.gz LQXOQDXTKHKUFR-PHIMTYICSA-N 0 3 221.300 1.561 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCCNC(=O)C1)c1ccccc1[O-] ZINC000877755975 590417787 /nfs/dbraw/zinc/41/77/87/590417787.db2.gz VUSGJEOELNAOQC-MNOVXSKESA-N 0 3 248.326 1.712 20 10 BDCDHN CCN(C#N)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000879650214 590841246 /nfs/dbraw/zinc/84/12/46/590841246.db2.gz PYTYCZCZJFLQDK-LLVKDONJSA-N 0 3 233.315 1.846 20 10 BDCDHN CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000879648890 590842340 /nfs/dbraw/zinc/84/23/40/590842340.db2.gz FHGUFFBAWZWCBM-NOZJJQNGSA-N 0 3 237.299 1.383 20 10 BDCDHN CN(C)c1ccc(CN2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880419994 591028562 /nfs/dbraw/zinc/02/85/62/591028562.db2.gz VKXGUSVDAHKMIH-TZMCWYRMSA-N 0 3 232.327 1.319 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CCOC2)c1 ZINC000131191664 591566256 /nfs/dbraw/zinc/56/62/56/591566256.db2.gz NPVIULSMWWYILP-NXEZZACHSA-N 0 3 237.299 1.840 20 10 BDCDHN Cc1cc(Cl)cc(C[N@H+](C)CCO)c1[O-] ZINC000132475615 591711130 /nfs/dbraw/zinc/71/11/30/591711130.db2.gz QNPUVKPJXYUWJQ-UHFFFAOYSA-N 0 3 229.707 1.778 20 10 BDCDHN Cc1cc(Cl)cc(C[N@@H+](C)CCO)c1[O-] ZINC000132475615 591711136 /nfs/dbraw/zinc/71/11/36/591711136.db2.gz QNPUVKPJXYUWJQ-UHFFFAOYSA-N 0 3 229.707 1.778 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(F)F ZINC000886064865 592141700 /nfs/dbraw/zinc/14/17/00/592141700.db2.gz KDPAYUFCLGENJN-GFCCVEGCSA-N 0 3 245.269 1.840 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@](C)(O)C(F)F ZINC000886064865 592141701 /nfs/dbraw/zinc/14/17/01/592141701.db2.gz KDPAYUFCLGENJN-GFCCVEGCSA-N 0 3 245.269 1.840 20 10 BDCDHN [NH3+]C[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000220306067 592299402 /nfs/dbraw/zinc/29/94/02/592299402.db2.gz SQGNTHRSYZZBOD-LLVKDONJSA-N 0 3 224.279 1.454 20 10 BDCDHN COc1cccc(C[N@H+]2CC[C@@H](OC)C2)c1[O-] ZINC000300045703 592501824 /nfs/dbraw/zinc/50/18/24/592501824.db2.gz NOLGFFDUJIMXRJ-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc(C[N@@H+]2CC[C@@H](OC)C2)c1[O-] ZINC000300045703 592501826 /nfs/dbraw/zinc/50/18/26/592501826.db2.gz NOLGFFDUJIMXRJ-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc(CN2CC[C@@H](OC)C2)c1O ZINC000300045703 592501828 /nfs/dbraw/zinc/50/18/28/592501828.db2.gz NOLGFFDUJIMXRJ-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN C[C@H]1CN(Cc2cc(F)ccc2[O-])CC[C@H]1[NH3+] ZINC000300417485 592511828 /nfs/dbraw/zinc/51/18/28/592511828.db2.gz VKQVLPSAKUBEOS-JOYOIKCWSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@@H]1CN(Cc2cc(F)ccc2[O-])[C@@H](C)C[NH2+]1 ZINC000235348542 635574543 /nfs/dbraw/zinc/57/45/43/635574543.db2.gz DNWZVPBYUJOPDC-ZJUUUORDSA-N 0 3 238.306 1.714 20 10 BDCDHN N[C@H](CC1CC1)C(=O)NCc1ccccc1O ZINC000083360980 631424080 /nfs/dbraw/zinc/42/40/80/631424080.db2.gz SCLRARBMNGRUQK-LLVKDONJSA-N 0 3 234.299 1.136 20 10 BDCDHN CN(C)c1ccc(CN2CC[C@H]2CO)cc1 ZINC000934014719 631587150 /nfs/dbraw/zinc/58/71/50/631587150.db2.gz NZZMRLSJGGEPKB-ZDUSSCGKSA-N 0 3 220.316 1.319 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000309517086 632435513 /nfs/dbraw/zinc/43/55/13/632435513.db2.gz AGIRNMABKNTSKJ-JQWIXIFHSA-N 0 3 225.263 1.534 20 10 BDCDHN CSC[C@@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000309911885 633932777 /nfs/dbraw/zinc/93/27/77/633932777.db2.gz NDGZLHOAFJPIJB-ZJUUUORDSA-N 0 3 241.356 1.767 20 10 BDCDHN C[C@@](O)(C[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000310415649 634144639 /nfs/dbraw/zinc/14/46/39/634144639.db2.gz MZXCMUBVEMCCRI-CYBMUJFWSA-N 0 3 239.290 1.782 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@@H]1CO ZINC000191182633 634206907 /nfs/dbraw/zinc/20/69/07/634206907.db2.gz CYVDFJJFHIDGLN-JOYOIKCWSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@@H]1CO ZINC000191182633 634206910 /nfs/dbraw/zinc/20/69/10/634206910.db2.gz CYVDFJJFHIDGLN-JOYOIKCWSA-N 0 3 239.290 1.734 20 10 BDCDHN CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097783 635211365 /nfs/dbraw/zinc/21/13/65/635211365.db2.gz JKWXVJGHRJHYCY-AWEZNQCLSA-N 0 3 249.358 1.491 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897844546 636837584 /nfs/dbraw/zinc/83/75/84/636837584.db2.gz RTAOQAGTOJMLMK-AWAWDMARSA-N 0 3 233.311 1.704 20 10 BDCDHN CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000322758379 636879937 /nfs/dbraw/zinc/87/99/37/636879937.db2.gz FTQANWNWKHFYRF-ZJUUUORDSA-N 0 3 236.315 1.567 20 10 BDCDHN CC[C@H]([NH2+]C[C@H](O)COC)c1ccccc1[O-] ZINC000071269698 643114604 /nfs/dbraw/zinc/11/46/04/643114604.db2.gz CBJJIYBUZVNTMR-JQWIXIFHSA-N 0 3 239.315 1.440 20 10 BDCDHN OC/C=C/CNCc1ccc2c(c1)CCCO2 ZINC000922240084 643916713 /nfs/dbraw/zinc/91/67/13/643916713.db2.gz MWUMQXOCOCAZMR-OWOJBTEDSA-N 0 3 233.311 1.650 20 10 BDCDHN c1cc2c(cc1CN[C@]13C[C@H]1COC3)CCCO2 ZINC000922337167 643974721 /nfs/dbraw/zinc/97/47/21/643974721.db2.gz BSFZUCGETRSGDD-ZFWWWQNUSA-N 0 3 245.322 1.890 20 10 BDCDHN O=C1C[C@H](CC[NH2+]Cc2ccccc2[O-])CN1 ZINC000922781240 644094972 /nfs/dbraw/zinc/09/49/72/644094972.db2.gz JCTMCCNZXRGHDL-JTQLQIEISA-N 0 3 234.299 1.008 20 10 BDCDHN CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1[O-] ZINC000824637840 645056677 /nfs/dbraw/zinc/05/66/77/645056677.db2.gz ZYVTXMJWVWEXKQ-QWHCGFSZSA-N 0 3 235.327 1.985 20 10 BDCDHN CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccccc1[O-] ZINC000824637840 645056684 /nfs/dbraw/zinc/05/66/84/645056684.db2.gz ZYVTXMJWVWEXKQ-QWHCGFSZSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H](NC/C=C\c1ccc(N(C)C)cc1)C(N)=O ZINC000835047680 645163163 /nfs/dbraw/zinc/16/31/63/645163163.db2.gz CRCPLNHCGUOPGA-DOGVGXBMSA-N 0 3 247.342 1.229 20 10 BDCDHN CCOC(=O)/C=C/CN(C)Cc1ccccc1O ZINC000929973196 646382380 /nfs/dbraw/zinc/38/23/80/646382380.db2.gz XZYYQFCNCNMORC-RMKNXTFCSA-N 0 3 249.310 1.943 20 10 BDCDHN CN1CC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000712554862 712444874 /nfs/dbraw/zinc/44/48/74/712444874.db2.gz DGBMPTOLTCHSKK-LLVKDONJSA-N 0 3 224.279 1.325 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C/C=C\CO)CC2 ZINC000717532239 712660534 /nfs/dbraw/zinc/66/05/34/712660534.db2.gz IJADYHRJSWGVKJ-RFMOXSJOSA-N 0 3 219.284 1.518 20 10 BDCDHN OC/C=C/CNCc1ccc2c(c1)CCO2 ZINC000717532497 712660802 /nfs/dbraw/zinc/66/08/02/712660802.db2.gz JWYPWEREGSHURQ-OWOJBTEDSA-N 0 3 219.284 1.260 20 10 BDCDHN C[C@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C ZINC000719579657 712812750 /nfs/dbraw/zinc/81/27/50/712812750.db2.gz IRSGNGYTYCIVTL-JQWIXIFHSA-N 0 3 220.316 1.574 20 10 BDCDHN Cc1nc([C@@H](C)NCc2cc(C)ccc2O)n[nH]1 ZINC000392370902 711144542 /nfs/dbraw/zinc/14/45/42/711144542.db2.gz LGKSHBYDPJSUPE-SECBINFHSA-N 0 3 246.314 1.978 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCn1cccn1)CC2 ZINC000394143687 711186405 /nfs/dbraw/zinc/18/64/05/711186405.db2.gz MTMQPONQDYTTBA-LBPRGKRZSA-N 0 3 243.310 1.866 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCc1cnccn1 ZINC000389983343 711102396 /nfs/dbraw/zinc/10/23/96/711102396.db2.gz YVRDYYVZPTZXNU-UHFFFAOYSA-N 0 3 229.283 1.515 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724984929 711640617 /nfs/dbraw/zinc/64/06/17/711640617.db2.gz DZPKBTVLZZCCAW-YXMLORGKSA-N 0 3 237.274 1.534 20 10 BDCDHN COCC(COC)[N@H+](C)Cc1ccccc1[O-] ZINC000702105708 712038575 /nfs/dbraw/zinc/03/85/75/712038575.db2.gz ABJIGTOXECCNCT-UHFFFAOYSA-N 0 3 239.315 1.485 20 10 BDCDHN COCC(COC)[N@@H+](C)Cc1ccccc1[O-] ZINC000702105708 712038577 /nfs/dbraw/zinc/03/85/77/712038577.db2.gz ABJIGTOXECCNCT-UHFFFAOYSA-N 0 3 239.315 1.485 20 10 BDCDHN CN(C)CC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708414206 712194346 /nfs/dbraw/zinc/19/43/46/712194346.db2.gz PCUQAUVPZOWXQF-UHFFFAOYSA-N 0 3 244.285 1.664 20 10 BDCDHN CN(C)CC[N@@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708414206 712194348 /nfs/dbraw/zinc/19/43/48/712194348.db2.gz PCUQAUVPZOWXQF-UHFFFAOYSA-N 0 3 244.285 1.664 20 10 BDCDHN C[C@@H]([NH2+]CC(=O)N(C)C)c1ccccc1[O-] ZINC000037225423 712554765 /nfs/dbraw/zinc/55/47/65/712554765.db2.gz COTDUYIQPCTJMP-SECBINFHSA-N 0 3 222.288 1.131 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716729794 712571099 /nfs/dbraw/zinc/57/10/99/712571099.db2.gz BCQOCAQGZYZQEE-SNVBAGLBSA-N 0 3 249.232 1.637 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]C/C=C/CO)c([O-])c1 ZINC000717531295 712660588 /nfs/dbraw/zinc/66/05/88/712660588.db2.gz DPJUROGCWZQKRK-UFFNRZRYSA-N 0 3 221.300 1.900 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)C1CCC1 ZINC000717626644 712661678 /nfs/dbraw/zinc/66/16/78/712661678.db2.gz RRLJDKBRVSGPDO-LBPRGKRZSA-N 0 3 239.290 1.782 20 10 BDCDHN CN1CC[C@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000380211690 712726532 /nfs/dbraw/zinc/72/65/32/712726532.db2.gz HYELYVPSKVIFFA-RYUDHWBXSA-N 0 3 232.327 1.673 20 10 BDCDHN CC[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801171 712758838 /nfs/dbraw/zinc/75/88/38/712758838.db2.gz MRCBIXLYLNTNBP-ZDUSSCGKSA-N 0 3 249.358 1.448 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000720908044 712877540 /nfs/dbraw/zinc/87/75/40/712877540.db2.gz TVRWWJFQSJCONN-KKZNHRDASA-N 0 3 239.290 1.953 20 10 BDCDHN C[C@]1(O)CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277219 966960870 /nfs/dbraw/zinc/96/08/70/966960870.db2.gz WQKGXYQBLRPXNV-LBPRGKRZSA-N 0 3 223.272 1.055 20 10 BDCDHN C[C@]1(O)CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277219 966960875 /nfs/dbraw/zinc/96/08/75/966960875.db2.gz WQKGXYQBLRPXNV-LBPRGKRZSA-N 0 3 223.272 1.055 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])C[C@H](O)COC ZINC001252818754 969015552 /nfs/dbraw/zinc/01/55/52/969015552.db2.gz CNOGSPLWXRKDCP-LBPRGKRZSA-N 0 3 239.315 1.221 20 10 BDCDHN N[C@@H](CC1CCC1)C(=O)NCc1ccccc1O ZINC001219923407 972113751 /nfs/dbraw/zinc/11/37/51/972113751.db2.gz LLWMXWOSHQBLHP-LBPRGKRZSA-N 0 3 248.326 1.526 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H]1CO ZINC000092455612 960808028 /nfs/dbraw/zinc/80/80/28/960808028.db2.gz UVXWVXVMHMDCPS-JTQLQIEISA-N 0 3 223.272 1.055 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H]1CO ZINC000092455612 960808029 /nfs/dbraw/zinc/80/80/29/960808029.db2.gz UVXWVXVMHMDCPS-JTQLQIEISA-N 0 3 223.272 1.055 20 10 BDCDHN C[C@]1([NH3+])CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001204782834 963540180 /nfs/dbraw/zinc/54/01/80/963540180.db2.gz KSFFUMQUYMUOLN-LBPRGKRZSA-N 0 3 240.734 1.969 20 10 BDCDHN [NH3+][C@@]12CC[C@@H]1CN(Cc1cccc(F)c1[O-])C2 ZINC001235978658 966195040 /nfs/dbraw/zinc/19/50/40/966195040.db2.gz JOKWESSICKZHHX-ZWNOBZJWSA-N 0 3 236.290 1.454 20 10 BDCDHN Oc1ccc(CN2CCC[C@@H](O)CC2)cc1O ZINC001203875299 966807182 /nfs/dbraw/zinc/80/71/82/966807182.db2.gz KMKYDWJQKLGXHM-LLVKDONJSA-N 0 3 237.299 1.445 20 10 BDCDHN Oc1ccc(CN2CC[C@H]3OCC[C@H]3C2)cc1O ZINC001203880558 966808264 /nfs/dbraw/zinc/80/82/64/966808264.db2.gz VLUQTLYETIABGL-SMDDNHRTSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH+]1CC(C2COC2)C1 ZINC001204272304 966952566 /nfs/dbraw/zinc/95/25/66/966952566.db2.gz MXWCFIYBLBBVIM-UHFFFAOYSA-N 0 3 235.283 1.176 20 10 BDCDHN C[C@@H]1COCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273129 966953089 /nfs/dbraw/zinc/95/30/89/966953089.db2.gz ZDBOUDGFPROVKI-JTQLQIEISA-N 0 3 237.299 1.566 20 10 BDCDHN C[C@@H]1COCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204273129 966953097 /nfs/dbraw/zinc/95/30/97/966953097.db2.gz ZDBOUDGFPROVKI-JTQLQIEISA-N 0 3 237.299 1.566 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH+]1CC2(C1)CCOCC2 ZINC001204275844 966954871 /nfs/dbraw/zinc/95/48/71/966954871.db2.gz ZONKHEZBCGOVFF-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204276593 966956054 /nfs/dbraw/zinc/95/60/54/966956054.db2.gz NZZVUDAQAHZRKM-ONGXEEELSA-N 0 3 237.299 1.443 20 10 BDCDHN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204276593 966956056 /nfs/dbraw/zinc/95/60/56/966956056.db2.gz NZZVUDAQAHZRKM-ONGXEEELSA-N 0 3 237.299 1.443 20 10 BDCDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCCOC1 ZINC001204281716 966960388 /nfs/dbraw/zinc/96/03/88/966960388.db2.gz HGUFHVAPDMHEDK-LLVKDONJSA-N 0 3 237.299 1.709 20 10 BDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@@H]1CCCOC1 ZINC001204281716 966960397 /nfs/dbraw/zinc/96/03/97/966960397.db2.gz HGUFHVAPDMHEDK-LLVKDONJSA-N 0 3 237.299 1.709 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])C[C@H](O)COC ZINC001252818754 969015544 /nfs/dbraw/zinc/01/55/44/969015544.db2.gz CNOGSPLWXRKDCP-LBPRGKRZSA-N 0 3 239.315 1.221 20 10 BDCDHN C[C@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000401968297 970755487 /nfs/dbraw/zinc/75/54/87/970755487.db2.gz IBLUXNBKZIKOMC-GXSJLCMTSA-N 0 3 207.273 1.659 20 10 BDCDHN COC[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000234898688 973782364 /nfs/dbraw/zinc/78/23/64/973782364.db2.gz WHBSTPBZUBAACS-PSASIEDQSA-N 0 3 243.278 1.189 20 10 BDCDHN CN(Cc1cc(O)c(O)c(O)c1)CC1CC1 ZINC001233010073 978404928 /nfs/dbraw/zinc/40/49/28/978404928.db2.gz KAAANHGUMWJJLX-UHFFFAOYSA-N 0 3 223.272 1.645 20 10 BDCDHN COC[C@H]1CC[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233336291 978567903 /nfs/dbraw/zinc/56/79/03/978567903.db2.gz GRVXQEGZLPTCHY-MRVPVSSYSA-N 0 3 243.253 1.891 20 10 BDCDHN COC[C@H]1CC[N@H+]1Cc1c([O-])ccc(F)c1F ZINC001233336291 978567907 /nfs/dbraw/zinc/56/79/07/978567907.db2.gz GRVXQEGZLPTCHY-MRVPVSSYSA-N 0 3 243.253 1.891 20 10 BDCDHN [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(Cl)cc1[O-])C2 ZINC001236024462 979319306 /nfs/dbraw/zinc/31/93/06/979319306.db2.gz IWSLAYOOLHRBSU-BXKDBHETSA-N 0 3 238.718 1.579 20 10 BDCDHN CCc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001236783994 979727489 /nfs/dbraw/zinc/72/74/89/979727489.db2.gz QWBQCDLINSMOEF-AWEZNQCLSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1ccc(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC001236783994 979727498 /nfs/dbraw/zinc/72/74/98/979727498.db2.gz QWBQCDLINSMOEF-AWEZNQCLSA-N 0 3 235.327 1.911 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001237485732 979911093 /nfs/dbraw/zinc/91/10/93/979911093.db2.gz QXUDXMQLPMXTFL-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001237485732 979911101 /nfs/dbraw/zinc/91/11/01/979911101.db2.gz QXUDXMQLPMXTFL-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2CC[C@@H](CO)C2)c1[O-] ZINC001238060582 980132288 /nfs/dbraw/zinc/13/22/88/980132288.db2.gz CBGSDFWVTRHHAM-SNVBAGLBSA-N 0 3 239.290 1.654 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2CC[C@@H](CO)C2)c1[O-] ZINC001238060582 980132290 /nfs/dbraw/zinc/13/22/90/980132290.db2.gz CBGSDFWVTRHHAM-SNVBAGLBSA-N 0 3 239.290 1.654 20 10 BDCDHN CO[C@@]1(C)C[C@H]1NCc1ccc2c(c1)CCO2 ZINC000694392401 987323627 /nfs/dbraw/zinc/32/36/27/987323627.db2.gz GNXPMWPGDMTQOL-KGLIPLIRSA-N 0 3 233.311 1.889 20 10 BDCDHN CC[C@@H]([NH2+]Cc1c([O-])cccc1OC)[C@@H](C)O ZINC001325133331 989099385 /nfs/dbraw/zinc/09/93/85/989099385.db2.gz PIVRNMDTXAPWHX-MWLCHTKSSA-N 0 3 239.315 1.650 20 10 BDCDHN COC(=O)Cc1ccc(C[N@H+](C)C2CC2)c([O-])c1 ZINC001249173011 989265224 /nfs/dbraw/zinc/26/52/24/989265224.db2.gz PQAKQFOVYXCVFU-UHFFFAOYSA-N 0 3 249.310 1.702 20 10 BDCDHN COC(=O)Cc1ccc(C[N@@H+](C)C2CC2)c([O-])c1 ZINC001249173011 989265237 /nfs/dbraw/zinc/26/52/37/989265237.db2.gz PQAKQFOVYXCVFU-UHFFFAOYSA-N 0 3 249.310 1.702 20 10 BDCDHN C[C@@H](O)[C@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001560075186 991370137 /nfs/dbraw/zinc/37/01/37/991370137.db2.gz VUILRLCLBRBOLM-IVZWLZJFSA-N 0 3 209.289 1.812 20 10 BDCDHN C[C@@H]([NH2+][C@H](C)[C@H](C)O)c1ccccc1[O-] ZINC001560075185 991371172 /nfs/dbraw/zinc/37/11/72/991371172.db2.gz VUILRLCLBRBOLM-BBBLOLIVSA-N 0 3 209.289 1.812 20 10 BDCDHN CC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059904 991506427 /nfs/dbraw/zinc/50/64/27/991506427.db2.gz AJEWANSRXVJGCN-JTQLQIEISA-N 0 3 237.274 1.942 20 10 BDCDHN CC(=O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059904 991506436 /nfs/dbraw/zinc/50/64/36/991506436.db2.gz AJEWANSRXVJGCN-JTQLQIEISA-N 0 3 237.274 1.942 20 10 BDCDHN C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1[O-] ZINC001576006674 993156510 /nfs/dbraw/zinc/15/65/10/993156510.db2.gz VWHKPTXPGPMGBY-QMMMGPOBSA-N 0 3 228.723 1.825 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)CCC(N)=O)cc1C ZINC000289709743 178194985 /nfs/dbraw/zinc/19/49/85/178194985.db2.gz OXNRYXZEEKOXQK-UHFFFAOYSA-N 0 3 236.315 1.316 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)CCC(N)=O)cc1C ZINC000289709743 178194987 /nfs/dbraw/zinc/19/49/87/178194987.db2.gz OXNRYXZEEKOXQK-UHFFFAOYSA-N 0 3 236.315 1.316 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1C ZINC000373515310 178196541 /nfs/dbraw/zinc/19/65/41/178196541.db2.gz JWXYCRQVNOBYGT-AWEZNQCLSA-N 0 3 247.338 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C3(CC3)C2)cc1C ZINC000373515310 178196546 /nfs/dbraw/zinc/19/65/46/178196546.db2.gz JWXYCRQVNOBYGT-AWEZNQCLSA-N 0 3 247.338 1.966 20 10 BDCDHN CCOc1cccc(CN(C)CCO)c1O ZINC000077010017 398251547 /nfs/dbraw/zinc/25/15/47/398251547.db2.gz WWVKJEWHTZFWNX-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN CCC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000295021952 398264503 /nfs/dbraw/zinc/26/45/03/398264503.db2.gz UXQOXDYBDXZFBN-LBPRGKRZSA-N 0 3 223.316 1.985 20 10 BDCDHN CCC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000295021952 398264508 /nfs/dbraw/zinc/26/45/08/398264508.db2.gz UXQOXDYBDXZFBN-LBPRGKRZSA-N 0 3 223.316 1.985 20 10 BDCDHN CCOc1cccc(C[NH2+][C@H](CC)CO)c1[O-] ZINC000020195034 342975590 /nfs/dbraw/zinc/97/55/90/342975590.db2.gz ISLXXYOOFICIMX-LLVKDONJSA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000036977397 343329419 /nfs/dbraw/zinc/32/94/19/343329419.db2.gz OQROCBIXQYSZNS-JQWIXIFHSA-N 0 3 248.326 1.712 20 10 BDCDHN CC[C@H]([NH2+][C@H](C)CO)c1ccccc1[O-] ZINC000035602847 343299813 /nfs/dbraw/zinc/29/98/13/343299813.db2.gz YWQZBLCLTGPWSI-KOLCDFICSA-N 0 3 209.289 1.814 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@]1(O)CCOC1)CC2 ZINC000297091996 136376011 /nfs/dbraw/zinc/37/60/11/136376011.db2.gz XHHOBYKQPULUJF-BXUZGUMPSA-N 0 3 249.310 1.121 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCCOCC1 ZINC000132725853 344307298 /nfs/dbraw/zinc/30/72/98/344307298.db2.gz ZDVRZPZEJWMHDJ-UHFFFAOYSA-N 0 3 207.273 1.615 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCCOCC1 ZINC000132725853 344307301 /nfs/dbraw/zinc/30/73/01/344307301.db2.gz ZDVRZPZEJWMHDJ-UHFFFAOYSA-N 0 3 207.273 1.615 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)O)c1 ZINC000035629071 178803018 /nfs/dbraw/zinc/80/30/18/178803018.db2.gz WFPWAOXCHZCBEI-VHSXEESVSA-N 0 3 209.289 1.732 20 10 BDCDHN COc1cccc(C[N@H+](C)CC[C@@H](C)O)c1[O-] ZINC000093481658 345673811 /nfs/dbraw/zinc/67/38/11/345673811.db2.gz XHGITXSJZWSIMW-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(C[N@@H+](C)CC[C@@H](C)O)c1[O-] ZINC000093481658 345673815 /nfs/dbraw/zinc/67/38/15/345673815.db2.gz XHGITXSJZWSIMW-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1[O-] ZINC000187987366 179093919 /nfs/dbraw/zinc/09/39/19/179093919.db2.gz BVFAMUXVBMKLCW-DGCLKSJQSA-N 0 3 235.327 1.951 20 10 BDCDHN CCN(Cc1cccc(C)c1O)[C@H]1CCNC1=O ZINC000281785893 351910400 /nfs/dbraw/zinc/91/04/00/351910400.db2.gz NOHVFFSXBWNYPE-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN CC[N@H+](Cc1cccc(OC)c1[O-])[C@H](C)CO ZINC000292774905 352328456 /nfs/dbraw/zinc/32/84/56/352328456.db2.gz KVNIHMUVAAKQAL-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CC[N@@H+](Cc1cccc(OC)c1[O-])[C@H](C)CO ZINC000292774905 352328460 /nfs/dbraw/zinc/32/84/60/352328460.db2.gz KVNIHMUVAAKQAL-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN NC(=O)CN(Cc1ccc(N)cc1)C1CCCC1 ZINC000035081202 181228927 /nfs/dbraw/zinc/22/89/27/181228927.db2.gz CEUYQGDVPSFVOX-UHFFFAOYSA-N 0 3 247.342 1.499 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1[O-] ZINC000124848596 358528564 /nfs/dbraw/zinc/52/85/64/358528564.db2.gz RMVHUHXZIBJQJR-WCQYABFASA-N 0 3 235.327 1.951 20 10 BDCDHN C[C@@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297126843 364788455 /nfs/dbraw/zinc/78/84/55/364788455.db2.gz YTMGUYXZDVLFDU-WPRPVWTQSA-N 0 3 207.273 1.350 20 10 BDCDHN [O-]c1ccccc1C[N@@H+](CCO)C1CCC1 ZINC000275975917 183070050 /nfs/dbraw/zinc/07/00/50/183070050.db2.gz LPAFXQHLDMVYOY-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@H+](CCO)C1CCC1 ZINC000275975917 183070054 /nfs/dbraw/zinc/07/00/54/183070054.db2.gz LPAFXQHLDMVYOY-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN1CC[NH2+]CC1 ZINC000038086717 183272826 /nfs/dbraw/zinc/27/28/26/183272826.db2.gz RSXKMPXCUPCYIC-UHFFFAOYSA-N 0 3 226.707 1.451 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000226584601 183275328 /nfs/dbraw/zinc/27/53/28/183275328.db2.gz YMIMDYNEPBIDNY-VIFPVBQESA-N 0 3 225.263 1.657 20 10 BDCDHN CCC[N@H+](CCCO)Cc1ccccc1[O-] ZINC000264103645 169155365 /nfs/dbraw/zinc/15/53/65/169155365.db2.gz IXAOXGGDGNCROY-UHFFFAOYSA-N 0 3 223.316 1.987 20 10 BDCDHN CCC[N@@H+](CCCO)Cc1ccccc1[O-] ZINC000264103645 169155366 /nfs/dbraw/zinc/15/53/66/169155366.db2.gz IXAOXGGDGNCROY-UHFFFAOYSA-N 0 3 223.316 1.987 20 10 BDCDHN CCC[N@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000179885275 169167134 /nfs/dbraw/zinc/16/71/34/169167134.db2.gz PWUKESANNDEQHU-UHFFFAOYSA-N 0 3 227.279 1.736 20 10 BDCDHN CCC[N@@H+](CCO)Cc1cc(F)ccc1[O-] ZINC000179885275 169167135 /nfs/dbraw/zinc/16/71/35/169167135.db2.gz PWUKESANNDEQHU-UHFFFAOYSA-N 0 3 227.279 1.736 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000368443630 183301315 /nfs/dbraw/zinc/30/13/15/183301315.db2.gz UWLFLPNGCKLHQO-LBPRGKRZSA-N 0 3 233.311 1.861 20 10 BDCDHN CCN(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295831048 383858686 /nfs/dbraw/zinc/85/86/86/383858686.db2.gz DXNKFJJWHPHDME-GFCCVEGCSA-N 0 3 234.343 1.921 20 10 BDCDHN COC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618278 384307261 /nfs/dbraw/zinc/30/72/61/384307261.db2.gz SEPVVXWBBRPPTM-PSASIEDQSA-N 0 3 243.278 1.189 20 10 BDCDHN C[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000083215430 384291301 /nfs/dbraw/zinc/29/13/01/384291301.db2.gz VZSFWQZCKKDXQX-ZJUUUORDSA-N 0 3 209.289 1.671 20 10 BDCDHN C[C@@H]1C[C@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134228114 384340728 /nfs/dbraw/zinc/34/07/28/384340728.db2.gz YRVMBJJOFHNVQQ-BDAKNGLRSA-N 0 3 235.283 1.867 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)[C@H](C)O)c1 ZINC000160619295 384423134 /nfs/dbraw/zinc/42/31/34/384423134.db2.gz YSQHYYMFBDYLQH-JTQLQIEISA-N 0 3 223.316 1.950 20 10 BDCDHN C[C@H](CCO)C[NH2+]Cc1ccccc1[O-] ZINC000085126588 384491229 /nfs/dbraw/zinc/49/12/29/384491229.db2.gz GSUKVNRPUJPEKI-SNVBAGLBSA-N 0 3 209.289 1.500 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000050394510 384621048 /nfs/dbraw/zinc/62/10/48/384621048.db2.gz DCFJVIQDGRVSHP-KOLCDFICSA-N 0 3 234.299 1.321 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)c([O-])c1 ZINC000050394625 384621156 /nfs/dbraw/zinc/62/11/56/384621156.db2.gz LYGSUGXQOILARF-JQWIXIFHSA-N 0 3 248.326 1.630 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000127995391 384976907 /nfs/dbraw/zinc/97/69/07/384976907.db2.gz UOJFEJXYMIPTGK-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC000127995391 384976915 /nfs/dbraw/zinc/97/69/15/384976915.db2.gz UOJFEJXYMIPTGK-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H](C)C[S@](C)=O)c1[O-] ZINC000164410043 384982962 /nfs/dbraw/zinc/98/29/62/384982962.db2.gz XZLIAZLAGMVDIL-MGPLVRAMSA-N 0 3 241.356 1.557 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1(CO)CC1 ZINC000188959167 385108306 /nfs/dbraw/zinc/10/83/06/385108306.db2.gz FRWPZLBIBUPWBF-UHFFFAOYSA-N 0 3 239.290 1.736 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1(CO)CC1 ZINC000188959167 385108311 /nfs/dbraw/zinc/10/83/11/385108311.db2.gz FRWPZLBIBUPWBF-UHFFFAOYSA-N 0 3 239.290 1.736 20 10 BDCDHN CC[C@@H]([NH2+]CCO)c1ccc(C)cc1[O-] ZINC000279988724 385243210 /nfs/dbraw/zinc/24/32/10/385243210.db2.gz FEHVKSCHTZTDLB-LLVKDONJSA-N 0 3 209.289 1.734 20 10 BDCDHN C[C@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166475728 385247931 /nfs/dbraw/zinc/24/79/31/385247931.db2.gz REFLUVKDOILXFI-JTQLQIEISA-N 0 3 247.342 1.032 20 10 BDCDHN [NH3+][C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000050227704 385312389 /nfs/dbraw/zinc/31/23/89/385312389.db2.gz KRRNFZYQYCCCAB-JTQLQIEISA-N 0 3 226.707 1.579 20 10 BDCDHN C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccccc1[O-] ZINC000131298106 385324926 /nfs/dbraw/zinc/32/49/26/385324926.db2.gz RIHUFTMVZIWJMN-HWPZZCPQSA-N 0 3 241.356 1.639 20 10 BDCDHN CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179574646 385474393 /nfs/dbraw/zinc/47/43/93/385474393.db2.gz RCKDLEDGWWOTDM-LBPRGKRZSA-N 0 3 234.343 1.776 20 10 BDCDHN CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179574646 385474395 /nfs/dbraw/zinc/47/43/95/385474395.db2.gz RCKDLEDGWWOTDM-LBPRGKRZSA-N 0 3 234.343 1.776 20 10 BDCDHN C[C@@H](N)C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000157364345 385498469 /nfs/dbraw/zinc/49/84/69/385498469.db2.gz QXSRCUCOMYOENR-SECBINFHSA-N 0 3 248.326 1.234 20 10 BDCDHN COCC[C@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000281541127 385679241 /nfs/dbraw/zinc/67/92/41/385679241.db2.gz IQXSFCLNWLHEFE-WDEREUQCSA-N 0 3 239.315 1.440 20 10 BDCDHN Cc1nnsc1CNCc1ccccc1O ZINC000291807636 385729339 /nfs/dbraw/zinc/72/93/39/385729339.db2.gz XVDYNDWDFBEQMF-UHFFFAOYSA-N 0 3 235.312 1.842 20 10 BDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000271356141 385821603 /nfs/dbraw/zinc/82/16/03/385821603.db2.gz MHRSLCBDMAZGDG-LLVKDONJSA-N 0 3 235.283 1.387 20 10 BDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271356141 385821605 /nfs/dbraw/zinc/82/16/05/385821605.db2.gz MHRSLCBDMAZGDG-LLVKDONJSA-N 0 3 235.283 1.387 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272531831 385910007 /nfs/dbraw/zinc/91/00/07/385910007.db2.gz NDLUTXPRJBSOLX-NWDGAFQWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@H](C)O)C2)c1 ZINC000272531831 385910010 /nfs/dbraw/zinc/91/00/10/385910010.db2.gz NDLUTXPRJBSOLX-NWDGAFQWSA-N 0 3 235.327 1.903 20 10 BDCDHN COc1cc(O)c(CN[C@@H](C)CF)cc1OC ZINC000289247166 386277252 /nfs/dbraw/zinc/27/72/52/386277252.db2.gz ASGBKBGWCHUWTA-QMMMGPOBSA-N 0 3 243.278 1.857 20 10 BDCDHN C[N@H+](CCc1cn[nH]c1)Cc1ccccc1[O-] ZINC000290054275 386387220 /nfs/dbraw/zinc/38/72/20/386387220.db2.gz OYNUVMSCBYWRNG-UHFFFAOYSA-N 0 3 231.299 1.790 20 10 BDCDHN C[N@@H+](CCc1cn[nH]c1)Cc1ccccc1[O-] ZINC000290054275 386387226 /nfs/dbraw/zinc/38/72/26/386387226.db2.gz OYNUVMSCBYWRNG-UHFFFAOYSA-N 0 3 231.299 1.790 20 10 BDCDHN COC[C@H]1CCN1Cc1cccc(OC)c1O ZINC000293755567 386669041 /nfs/dbraw/zinc/66/90/41/386669041.db2.gz XFVFHKAPEZKSJS-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN C[C@@H](CF)NCc1cc2c(cc1O)OCO2 ZINC000288371565 386755106 /nfs/dbraw/zinc/75/51/06/386755106.db2.gz FCTRJWHGTYOXRS-ZETCQYMHSA-N 0 3 227.235 1.569 20 10 BDCDHN CN(C)c1ccc(CN2C[C@H](O)C(C)(C)C2)cc1 ZINC000279961763 386760493 /nfs/dbraw/zinc/76/04/93/386760493.db2.gz YJFPGJDNGOMTBR-AWEZNQCLSA-N 0 3 248.370 1.955 20 10 BDCDHN COC[C@@H]1CCN1Cc1cc(OC)ccc1O ZINC000293585910 386843559 /nfs/dbraw/zinc/84/35/59/386843559.db2.gz ICNWFWMVDVYCEI-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000372353266 387294265 /nfs/dbraw/zinc/29/42/65/387294265.db2.gz DKBWLDZPMAMPDY-CYBMUJFWSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000372353266 387294269 /nfs/dbraw/zinc/29/42/69/387294269.db2.gz DKBWLDZPMAMPDY-CYBMUJFWSA-N 0 3 233.311 1.657 20 10 BDCDHN O=C1NCCC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296267226 388420004 /nfs/dbraw/zinc/42/00/04/388420004.db2.gz DMRSSOIAAXOKTO-QWRGUYRKSA-N 0 3 246.310 1.248 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)CCC(N)=O)c1 ZINC000289199580 389042462 /nfs/dbraw/zinc/04/24/62/389042462.db2.gz BINAOBYEHDDAMC-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)CCC(N)=O)c1 ZINC000289199580 389042466 /nfs/dbraw/zinc/04/24/66/389042466.db2.gz BINAOBYEHDDAMC-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN COC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179946260 397854513 /nfs/dbraw/zinc/85/45/13/397854513.db2.gz XPYAMPIHHQYYAI-SECBINFHSA-N 0 3 227.279 1.998 20 10 BDCDHN COC[C@@H](C)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179946260 397854515 /nfs/dbraw/zinc/85/45/15/397854515.db2.gz XPYAMPIHHQYYAI-SECBINFHSA-N 0 3 227.279 1.998 20 10 BDCDHN CC1(C)[C@H](O)C[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000129578665 167996355 /nfs/dbraw/zinc/99/63/55/167996355.db2.gz ZCALMRZPUBUJTQ-UONOGXRCSA-N 0 3 247.338 1.871 20 10 BDCDHN CCNC(=O)[C@@H](C)NCc1cc(C)ccc1O ZINC000071407098 170088369 /nfs/dbraw/zinc/08/83/69/170088369.db2.gz RFGHMZXROOWQOT-SNVBAGLBSA-N 0 3 236.315 1.315 20 10 BDCDHN CC[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000082506004 171184807 /nfs/dbraw/zinc/18/48/07/171184807.db2.gz MXLXQOKLFZVNPN-GFCCVEGCSA-N 0 3 209.289 1.643 20 10 BDCDHN CN1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000040671819 173046876 /nfs/dbraw/zinc/04/68/76/173046876.db2.gz AUQRQSFZISEMPH-LBPRGKRZSA-N 0 3 220.316 1.576 20 10 BDCDHN COCC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000082367508 174406424 /nfs/dbraw/zinc/40/64/24/174406424.db2.gz PHQORNODTINBNX-JTQLQIEISA-N 0 3 209.289 1.907 20 10 BDCDHN COCC[C@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000281250719 174412348 /nfs/dbraw/zinc/41/23/48/174412348.db2.gz MMUBJFXLMWBYGH-GFCCVEGCSA-N 0 3 239.315 1.188 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C(C)(C)CO)c1 ZINC000020196989 175158309 /nfs/dbraw/zinc/15/83/09/175158309.db2.gz DKWJOUPZFKGZGJ-UHFFFAOYSA-N 0 3 225.288 1.261 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CCO)c1 ZINC000132516971 175158745 /nfs/dbraw/zinc/15/87/45/175158745.db2.gz SNCVBTVCDSRCNY-VIFPVBQESA-N 0 3 225.288 1.261 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000164726239 175159464 /nfs/dbraw/zinc/15/94/64/175159464.db2.gz WJEAKVSQMSCISL-UWVGGRQHSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1ccc(O)c([C@H](C)NCc2cn[nH]c2)c1 ZINC000038005753 175160947 /nfs/dbraw/zinc/16/09/47/175160947.db2.gz FNZRITCLDWSHPB-VIFPVBQESA-N 0 3 247.298 1.975 20 10 BDCDHN COc1cccc(CN(CCO)C2CC2)c1O ZINC000271083880 175257332 /nfs/dbraw/zinc/25/73/32/175257332.db2.gz SKCDWZSZYHDQCH-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1[O-] ZINC000071299568 175264397 /nfs/dbraw/zinc/26/43/97/175264397.db2.gz LWABOBRPCLWZKV-LLVKDONJSA-N 0 3 237.299 1.261 20 10 BDCDHN C[C@@H](O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297542395 175961028 /nfs/dbraw/zinc/96/10/28/175961028.db2.gz FCNZENBVOXVPQQ-KOLCDFICSA-N 0 3 221.300 1.740 20 10 BDCDHN C[C@H](O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000134735118 177009915 /nfs/dbraw/zinc/00/99/15/177009915.db2.gz AKKCRFDCTQIEJJ-WDEREUQCSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000134735118 177009916 /nfs/dbraw/zinc/00/99/16/177009916.db2.gz AKKCRFDCTQIEJJ-WDEREUQCSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000277914996 177297046 /nfs/dbraw/zinc/29/70/46/177297046.db2.gz PQNYJUPRZUSKRM-CMPLNLGQSA-N 0 3 221.300 1.907 20 10 BDCDHN CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000843427561 582557041 /nfs/dbraw/zinc/55/70/41/582557041.db2.gz GMONDXUOBZMMFA-ZYHUDNBSSA-N 0 3 241.262 1.035 20 10 BDCDHN C[NH2+]C[C@@H](C)NCc1cc(F)ccc1[O-] ZINC000853248703 588727292 /nfs/dbraw/zinc/72/72/92/588727292.db2.gz IQOSBJIXJUPOCW-MRVPVSSYSA-N 0 3 212.268 1.229 20 10 BDCDHN CCOc1ccc(CN[C@@H](C)C[NH2+]C)c([O-])c1 ZINC000853248656 588728812 /nfs/dbraw/zinc/72/88/12/588728812.db2.gz IEIWEMUKPUPGHA-JTQLQIEISA-N 0 3 238.331 1.488 20 10 BDCDHN CC(=O)OC[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000892793018 582983355 /nfs/dbraw/zinc/98/33/55/582983355.db2.gz KIOAHMCMPNJZNB-JTQLQIEISA-N 0 3 249.310 1.663 20 10 BDCDHN CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC000857083884 588886485 /nfs/dbraw/zinc/88/64/85/588886485.db2.gz AHIMATTVFKNJIW-ZYHUDNBSSA-N 0 3 248.326 1.664 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000877468774 583317201 /nfs/dbraw/zinc/31/72/01/583317201.db2.gz MPXKOIGQVHSBHJ-NWDGAFQWSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](CO)C1CC1 ZINC000894274111 583404786 /nfs/dbraw/zinc/40/47/86/583404786.db2.gz SHNXVVVXTFWTKD-GFCCVEGCSA-N 0 3 221.300 1.561 20 10 BDCDHN CC1=NO[C@@H](CNCc2cc(C)ccc2O)C1 ZINC000895308539 583646561 /nfs/dbraw/zinc/64/65/61/583646561.db2.gz MRKCPXSVMOKDMK-GFCCVEGCSA-N 0 3 234.299 1.955 20 10 BDCDHN CC1=NO[C@@H](C[NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000895308539 583646562 /nfs/dbraw/zinc/64/65/62/583646562.db2.gz MRKCPXSVMOKDMK-GFCCVEGCSA-N 0 3 234.299 1.955 20 10 BDCDHN Cc1ccc(O)c(CN[C@@H]2C(=O)NCC2(C)C)c1 ZINC000895316544 583648498 /nfs/dbraw/zinc/64/84/98/583648498.db2.gz PIQYRIQWRUXPJT-GFCCVEGCSA-N 0 3 248.326 1.315 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC1CSC1 ZINC000895423020 583673765 /nfs/dbraw/zinc/67/37/65/583673765.db2.gz UTSUZUAVKPNYAE-UHFFFAOYSA-N 0 3 239.340 1.853 20 10 BDCDHN CC[N@H+](CCC(N)=O)Cc1cccc(C)c1[O-] ZINC000896712542 583826613 /nfs/dbraw/zinc/82/66/13/583826613.db2.gz QXNJWFQOUUCUCK-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN CC[N@@H+](CCC(N)=O)Cc1cccc(C)c1[O-] ZINC000896712542 583826614 /nfs/dbraw/zinc/82/66/14/583826614.db2.gz QXNJWFQOUUCUCK-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN Cc1cccc(C[NH2+]CC[C@@H](O)C2CC2)c1[O-] ZINC000898202145 584089369 /nfs/dbraw/zinc/08/93/69/584089369.db2.gz DTNITSVJNZSPFA-CYBMUJFWSA-N 0 3 235.327 1.951 20 10 BDCDHN C[C@@H](N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2)c1ccccc1[O-] ZINC000902478522 584603702 /nfs/dbraw/zinc/60/37/02/584603702.db2.gz YEGRXDCRTNPZJX-VCDKRKBESA-N 0 3 232.327 1.936 20 10 BDCDHN Cn1cc(CC[N@H+](C)Cc2ccccc2[O-])nn1 ZINC000859188987 589016525 /nfs/dbraw/zinc/01/65/25/589016525.db2.gz IUGPCXRRLUFOHK-UHFFFAOYSA-N 0 3 246.314 1.195 20 10 BDCDHN Cn1cc(CC[N@@H+](C)Cc2ccccc2[O-])nn1 ZINC000859188987 589016528 /nfs/dbraw/zinc/01/65/28/589016528.db2.gz IUGPCXRRLUFOHK-UHFFFAOYSA-N 0 3 246.314 1.195 20 10 BDCDHN C[C@H]([NH2+][C@@H](CN)C1CC1)c1cc(F)ccc1[O-] ZINC000817959297 584992332 /nfs/dbraw/zinc/99/23/32/584992332.db2.gz FJIHXJJFTGQVFB-UFBFGSQYSA-N 0 3 238.306 1.919 20 10 BDCDHN CCC[N@H+](CCO)Cc1c([O-])cccc1OC ZINC000768174176 585533366 /nfs/dbraw/zinc/53/33/66/585533366.db2.gz ICQHHBYBHJMREC-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCC[N@@H+](CCO)Cc1c([O-])cccc1OC ZINC000768174176 585533367 /nfs/dbraw/zinc/53/33/67/585533367.db2.gz ICQHHBYBHJMREC-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](CCO)C1 ZINC000770511029 585575429 /nfs/dbraw/zinc/57/54/29/585575429.db2.gz VXWAHOVNIZPNBU-GFCCVEGCSA-N 0 3 235.327 1.987 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](CCO)C1 ZINC000770511029 585575430 /nfs/dbraw/zinc/57/54/30/585575430.db2.gz VXWAHOVNIZPNBU-GFCCVEGCSA-N 0 3 235.327 1.987 20 10 BDCDHN C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2[O-])CCN1C ZINC000775985865 585688150 /nfs/dbraw/zinc/68/81/50/585688150.db2.gz PGZKXTOGCMQLMF-VXGBXAGGSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2[O-])CCN1C ZINC000775985865 585688151 /nfs/dbraw/zinc/68/81/51/585688151.db2.gz PGZKXTOGCMQLMF-VXGBXAGGSA-N 0 3 234.343 1.917 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1[O-] ZINC000783744654 585841862 /nfs/dbraw/zinc/84/18/62/585841862.db2.gz SXYJTZBFYABHGH-OCCSQVGLSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1[O-] ZINC000783744654 585841863 /nfs/dbraw/zinc/84/18/63/585841863.db2.gz SXYJTZBFYABHGH-OCCSQVGLSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000788266743 585920066 /nfs/dbraw/zinc/92/00/66/585920066.db2.gz BIEMVSZAHQVWEI-PWSUYJOCSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000788266743 585920067 /nfs/dbraw/zinc/92/00/67/585920067.db2.gz BIEMVSZAHQVWEI-PWSUYJOCSA-N 0 3 221.300 1.656 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCCOC1 ZINC000808447991 586472723 /nfs/dbraw/zinc/47/27/23/586472723.db2.gz ZUILGYHKIBHJDC-SNVBAGLBSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1cccc(CNCc2cncnc2)c1O ZINC000809740089 586516138 /nfs/dbraw/zinc/51/61/38/586516138.db2.gz KYVKQRYFUXASSE-UHFFFAOYSA-N 0 3 245.282 1.481 20 10 BDCDHN C[C@@H]1[C@@H](C)CN1Cc1cc2c(cc1O)OCO2 ZINC000816647977 586749865 /nfs/dbraw/zinc/74/98/65/586749865.db2.gz BNZVJOYIFQIKHK-DTWKUNHWSA-N 0 3 235.283 1.961 20 10 BDCDHN C[C@H](NCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000817935010 586843348 /nfs/dbraw/zinc/84/33/48/586843348.db2.gz SMBMBPMGMSXRFO-ZETCQYMHSA-N 0 3 214.696 1.655 20 10 BDCDHN C[C@H]([NH2+]CCN)c1cc(Cl)ccc1[O-] ZINC000817935010 586843347 /nfs/dbraw/zinc/84/33/47/586843347.db2.gz SMBMBPMGMSXRFO-ZETCQYMHSA-N 0 3 214.696 1.655 20 10 BDCDHN C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817951225 586847763 /nfs/dbraw/zinc/84/77/63/586847763.db2.gz BXLWVNNXVCZYHA-KOLCDFICSA-N 0 3 238.306 1.934 20 10 BDCDHN CC[C@H]([NH2+]C[C@H](C)N)c1ccccc1[O-] ZINC000817974006 586860071 /nfs/dbraw/zinc/86/00/71/586860071.db2.gz XIPRRAVLJKVWCY-ONGXEEELSA-N 0 3 208.305 1.780 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c1[O-] ZINC000824893446 587292114 /nfs/dbraw/zinc/29/21/14/587292114.db2.gz SBZRROFEGWBXNF-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)c1[O-] ZINC000824893446 587292116 /nfs/dbraw/zinc/29/21/16/587292116.db2.gz SBZRROFEGWBXNF-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000827643019 587393842 /nfs/dbraw/zinc/39/38/42/587393842.db2.gz DQNFIVFZTWNYSR-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCC3(COC3)C2)c1 ZINC000827643019 587393844 /nfs/dbraw/zinc/39/38/44/587393844.db2.gz DQNFIVFZTWNYSR-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC3(COC3)C2)c1[O-] ZINC000827645253 587394327 /nfs/dbraw/zinc/39/43/27/587394327.db2.gz SRMQDQVIDPURLY-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC3(COC3)C2)c1[O-] ZINC000827645253 587394328 /nfs/dbraw/zinc/39/43/28/587394328.db2.gz SRMQDQVIDPURLY-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1[O-] ZINC000834907737 587770226 /nfs/dbraw/zinc/77/02/26/587770226.db2.gz AZZKJIDDABMXSU-YGRLFVJLSA-N 0 3 248.326 1.712 20 10 BDCDHN CN(C)c1ccc(/C=C\CN(C)CCO)cc1 ZINC000835025729 587779132 /nfs/dbraw/zinc/77/91/32/587779132.db2.gz MBASIFUYBRFAGL-PLNGDYQASA-N 0 3 234.343 1.690 20 10 BDCDHN CN(C)C(=O)C1(NCc2ccccc2O)CC1 ZINC000840957079 587931977 /nfs/dbraw/zinc/93/19/77/587931977.db2.gz ISARIMBIFYNIMJ-UHFFFAOYSA-N 0 3 234.299 1.103 20 10 BDCDHN CNCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841036821 587937456 /nfs/dbraw/zinc/93/74/56/587937456.db2.gz UWAOCVVLDVATSH-UHFFFAOYSA-N 0 3 232.686 1.494 20 10 BDCDHN CC[NH2+]CCNCc1ccc(OCC)cc1[O-] ZINC000841037696 587937871 /nfs/dbraw/zinc/93/78/71/587937871.db2.gz SJQHFXWGNAHRRO-UHFFFAOYSA-N 0 3 238.331 1.490 20 10 BDCDHN CC(C)C[C@@H](CN)[NH2+]Cc1cccc(F)c1[O-] ZINC000841037552 587938080 /nfs/dbraw/zinc/93/80/80/587938080.db2.gz AMIMARMOGUGEJD-NSHDSACASA-N 0 3 240.322 1.994 20 10 BDCDHN C[C@H](C[NH3+])CNCc1c([O-])cccc1Cl ZINC000841049157 587939855 /nfs/dbraw/zinc/93/98/55/587939855.db2.gz NRUSLVXXYPEHME-MRVPVSSYSA-N 0 3 228.723 1.730 20 10 BDCDHN C[C@@H](C[NH3+])NCc1c([O-])cccc1Cl ZINC000841062721 587941864 /nfs/dbraw/zinc/94/18/64/587941864.db2.gz BNMJYAIMILLHNQ-ZETCQYMHSA-N 0 3 214.696 1.482 20 10 BDCDHN C[C@@H](CN)[NH2+]Cc1c([O-])cccc1Cl ZINC000841062721 587941866 /nfs/dbraw/zinc/94/18/66/587941866.db2.gz BNMJYAIMILLHNQ-ZETCQYMHSA-N 0 3 214.696 1.482 20 10 BDCDHN CO[C@@H]1COC[C@H]1NCc1cc(C)ccc1O ZINC000842752745 588059564 /nfs/dbraw/zinc/05/95/64/588059564.db2.gz UBRLGSMQOKPAMB-DGCLKSJQSA-N 0 3 237.299 1.204 20 10 BDCDHN CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000842752745 588059566 /nfs/dbraw/zinc/05/95/66/588059566.db2.gz UBRLGSMQOKPAMB-DGCLKSJQSA-N 0 3 237.299 1.204 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000842773587 588062361 /nfs/dbraw/zinc/06/23/61/588062361.db2.gz BLKJKFCFVAMJDV-NXEZZACHSA-N 0 3 237.299 1.668 20 10 BDCDHN [NH3+]C[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843048363 588076298 /nfs/dbraw/zinc/07/62/98/588076298.db2.gz MCUKPSGZWIGNTN-SECBINFHSA-N 0 3 224.279 1.312 20 10 BDCDHN C[NH2+]C[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843053365 588076978 /nfs/dbraw/zinc/07/69/78/588076978.db2.gz XZYFYXWZAICXCT-JTQLQIEISA-N 0 3 238.306 1.573 20 10 BDCDHN Oc1ccccc1CN1CCNC[C@H]1C(F)F ZINC000843124698 588083195 /nfs/dbraw/zinc/08/31/95/588083195.db2.gz KDBNEKTUVMWCGL-JTQLQIEISA-N 0 3 242.269 1.431 20 10 BDCDHN CO[C@@H]1COC[C@H]1NCc1cccc(C)c1O ZINC000843428155 588108498 /nfs/dbraw/zinc/10/84/98/588108498.db2.gz PKIGNLWPLWGNRP-VXGBXAGGSA-N 0 3 237.299 1.204 20 10 BDCDHN CO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000843428155 588108499 /nfs/dbraw/zinc/10/84/99/588108499.db2.gz PKIGNLWPLWGNRP-VXGBXAGGSA-N 0 3 237.299 1.204 20 10 BDCDHN C[C@H](CCO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000846111579 588257340 /nfs/dbraw/zinc/25/73/40/588257340.db2.gz QVZWXEBWHZCBNT-SECBINFHSA-N 0 3 227.279 1.734 20 10 BDCDHN C[C@H](CCO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000846111579 588257341 /nfs/dbraw/zinc/25/73/41/588257341.db2.gz QVZWXEBWHZCBNT-SECBINFHSA-N 0 3 227.279 1.734 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850387954 588543264 /nfs/dbraw/zinc/54/32/64/588543264.db2.gz DOZKJYXMXWRGNY-STQMWFEESA-N 0 3 233.311 1.785 20 10 BDCDHN CN(C)c1ccc(CN[C@H]2C[C@H](O)C2)cc1F ZINC000850417627 588544854 /nfs/dbraw/zinc/54/48/54/588544854.db2.gz GIDDLBATGHDPAM-XYPYZODXSA-N 0 3 238.306 1.505 20 10 BDCDHN O[C@H]1C[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000850417891 588544996 /nfs/dbraw/zinc/54/49/96/588544996.db2.gz QDZOIYIRDNUZTM-HAQNSBGRSA-N 0 3 219.284 1.234 20 10 BDCDHN CON(C)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000850478990 588550584 /nfs/dbraw/zinc/55/05/84/588550584.db2.gz JNMRUSWEKBEJLF-SECBINFHSA-N 0 3 242.294 1.675 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000862483171 589216982 /nfs/dbraw/zinc/21/69/82/589216982.db2.gz HWXIPZXDOCPQND-XYPYZODXSA-N 0 3 234.299 1.054 20 10 BDCDHN CN(C[C@H]1CCC2(CNC2)O1)c1ccc(N)cc1 ZINC000863558630 589299103 /nfs/dbraw/zinc/29/91/03/589299103.db2.gz QBSKXYYUNLOAEU-CYBMUJFWSA-N 0 3 247.342 1.226 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865691541 589456277 /nfs/dbraw/zinc/45/62/77/589456277.db2.gz BPDYSAVFDPYIFS-JQPXUNLUSA-N 0 3 245.322 1.905 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCC[C@@H]1O)CC2 ZINC000866489066 589496738 /nfs/dbraw/zinc/49/67/38/589496738.db2.gz CGOGVPDACVZEKX-SRVKXCTJSA-N 0 3 233.311 1.883 20 10 BDCDHN CCOc1cccc(C[NH2+]CCOC)c1[O-] ZINC000019881388 590030479 /nfs/dbraw/zinc/03/04/79/590030479.db2.gz WPCPVEWNKRKHFY-UHFFFAOYSA-N 0 3 225.288 1.527 20 10 BDCDHN CC(C)CC[C@@H](N)C(=O)Nc1ccc(N)cc1 ZINC000876504065 590203916 /nfs/dbraw/zinc/20/39/16/590203916.db2.gz ITHRCOVQVQZMKI-GFCCVEGCSA-N 0 3 235.331 1.971 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000876509728 590204892 /nfs/dbraw/zinc/20/48/92/590204892.db2.gz HBHPYACLTUKSBM-GFCCVEGCSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC[C@@H](CO)C2)c([O-])c1 ZINC000876509728 590204893 /nfs/dbraw/zinc/20/48/93/590204893.db2.gz HBHPYACLTUKSBM-GFCCVEGCSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000876511359 590205282 /nfs/dbraw/zinc/20/52/82/590205282.db2.gz GJFVXAIJRKAFJK-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000876511359 590205284 /nfs/dbraw/zinc/20/52/84/590205284.db2.gz GJFVXAIJRKAFJK-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000876510396 590205396 /nfs/dbraw/zinc/20/53/96/590205396.db2.gz UXCBGUKERKCISX-LBPRGKRZSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](CO)C1 ZINC000876510396 590205398 /nfs/dbraw/zinc/20/53/98/590205398.db2.gz UXCBGUKERKCISX-LBPRGKRZSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCCOCC1 ZINC000876618542 590222224 /nfs/dbraw/zinc/22/22/24/590222224.db2.gz YMMYWXOVVXCAKY-UHFFFAOYSA-N 0 3 221.300 1.923 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCCOCC1 ZINC000876618542 590222226 /nfs/dbraw/zinc/22/22/26/590222226.db2.gz YMMYWXOVVXCAKY-UHFFFAOYSA-N 0 3 221.300 1.923 20 10 BDCDHN Cc1cccc(O)c1CN1CCNC(=O)CC1 ZINC000876691197 590230982 /nfs/dbraw/zinc/23/09/82/590230982.db2.gz DPZZPHWFRGYFJI-UHFFFAOYSA-N 0 3 234.299 1.023 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CC[C@@H](C)O ZINC000876745423 590235760 /nfs/dbraw/zinc/23/57/60/590235760.db2.gz HJSJSPZZEVFYLF-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CC[C@@H](C)O ZINC000876745423 590235762 /nfs/dbraw/zinc/23/57/62/590235762.db2.gz HJSJSPZZEVFYLF-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CC[C@@H](C)O)c([O-])c1 ZINC000876744762 590235967 /nfs/dbraw/zinc/23/59/67/590235967.db2.gz AQSVVNQBQSCULK-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@H+](C)CC[C@@H](C)O)c([O-])c1 ZINC000876744762 590235969 /nfs/dbraw/zinc/23/59/69/590235969.db2.gz AQSVVNQBQSCULK-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC000876791021 590241257 /nfs/dbraw/zinc/24/12/57/590241257.db2.gz HSMIQHLVJZYACM-ZDUSSCGKSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@](C)(O)C2)c([O-])c1 ZINC000876791021 590241258 /nfs/dbraw/zinc/24/12/58/590241258.db2.gz HSMIQHLVJZYACM-ZDUSSCGKSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCN2C)c([O-])c1 ZINC000876985974 590265119 /nfs/dbraw/zinc/26/51/19/590265119.db2.gz YQBWDULKGWELKX-ZDUSSCGKSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCCNC2=O)c([O-])c1 ZINC000876991356 590266082 /nfs/dbraw/zinc/26/60/82/590266082.db2.gz MBITZYNRWJIWDR-NSHDSACASA-N 0 3 234.299 1.069 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1(C)COC1 ZINC000877029566 590271685 /nfs/dbraw/zinc/27/16/85/590271685.db2.gz HEATUNANTAZKNR-UHFFFAOYSA-N 0 3 221.300 1.827 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H](O)C(C)C)c([O-])c1 ZINC000877037622 590273039 /nfs/dbraw/zinc/27/30/39/590273039.db2.gz SZGFBRNBDBUHOM-CYBMUJFWSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1(O)CCC1 ZINC000877040381 590273477 /nfs/dbraw/zinc/27/34/77/590273477.db2.gz VVUMXAQCSGOSLI-UHFFFAOYSA-N 0 3 221.300 1.705 20 10 BDCDHN Cc1ccc(C[NH2+]CC2(CO)CC2)c([O-])c1 ZINC000877078546 590279060 /nfs/dbraw/zinc/27/90/60/590279060.db2.gz UGBNBYLNKQJUJK-UHFFFAOYSA-N 0 3 221.300 1.563 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](CO)CC2CC2)c([O-])c1 ZINC000877117536 590288196 /nfs/dbraw/zinc/28/81/96/590288196.db2.gz GRRUUMDXVJZOOT-ZDUSSCGKSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000877184002 590298402 /nfs/dbraw/zinc/29/84/02/590298402.db2.gz JYSGMWKGCRDJID-NWDGAFQWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000877184002 590298403 /nfs/dbraw/zinc/29/84/03/590298403.db2.gz JYSGMWKGCRDJID-NWDGAFQWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000877195271 590299503 /nfs/dbraw/zinc/29/95/03/590299503.db2.gz FWVZDSPZDRFHBD-WDEREUQCSA-N 0 3 223.316 1.950 20 10 BDCDHN C[C@@H](NC(=O)[C@H]1CCCCN1)c1ccccc1O ZINC000877255860 590304198 /nfs/dbraw/zinc/30/41/98/590304198.db2.gz IQADWPAXNVLLBC-ZYHUDNBSSA-N 0 3 248.326 1.712 20 10 BDCDHN C[C@H](NC(=O)[C@H]1CCCCN1)c1ccccc1O ZINC000877255857 590304311 /nfs/dbraw/zinc/30/43/11/590304311.db2.gz IQADWPAXNVLLBC-CMPLNLGQSA-N 0 3 248.326 1.712 20 10 BDCDHN COC(=O)C1(C[NH2+]Cc2c(C)cccc2[O-])CC1 ZINC000877425126 590325177 /nfs/dbraw/zinc/32/51/77/590325177.db2.gz ZRYACHBNKJUFBH-UHFFFAOYSA-N 0 3 249.310 1.743 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)C[C@H](O)C1CC1 ZINC000877527724 590349167 /nfs/dbraw/zinc/34/91/67/590349167.db2.gz OFYHAAKNGPOFOY-AWEZNQCLSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@H](O)C1CC1 ZINC000877527724 590349169 /nfs/dbraw/zinc/34/91/69/590349169.db2.gz OFYHAAKNGPOFOY-AWEZNQCLSA-N 0 3 235.327 1.903 20 10 BDCDHN C[C@@H]([NH2+]CCCn1ccnn1)c1ccccc1[O-] ZINC000126566040 590350196 /nfs/dbraw/zinc/35/01/96/590350196.db2.gz UVRUYDAYRYOFOX-LLVKDONJSA-N 0 3 246.314 1.725 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)c([O-])c1 ZINC000877547293 590352799 /nfs/dbraw/zinc/35/27/99/590352799.db2.gz SIWYJZDPLAGJLY-TZMCWYRMSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@H]32)c([O-])c1 ZINC000877547293 590352802 /nfs/dbraw/zinc/35/28/02/590352802.db2.gz SIWYJZDPLAGJLY-TZMCWYRMSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)C1CCC1 ZINC000877574921 590363186 /nfs/dbraw/zinc/36/31/86/590363186.db2.gz ZMKGKVRGRQRHDM-CQSZACIVSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCCN(C=O)CC1 ZINC000877642413 590382676 /nfs/dbraw/zinc/38/26/76/590382676.db2.gz KQKFYVAVLYZADD-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCCN(C=O)CC1 ZINC000877642413 590382680 /nfs/dbraw/zinc/38/26/80/590382680.db2.gz KQKFYVAVLYZADD-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN C[C@H]([NH2+]CCc1cn(C)nn1)c1ccccc1[O-] ZINC000879650162 590841582 /nfs/dbraw/zinc/84/15/82/590841582.db2.gz MPDDTRVKFNHHIE-JTQLQIEISA-N 0 3 246.314 1.414 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccccc1[O-] ZINC000879650908 590843950 /nfs/dbraw/zinc/84/39/50/590843950.db2.gz WIOLWSFETJTVBO-VHSXEESVSA-N 0 3 235.283 1.748 20 10 BDCDHN C[C@@H](CC[NH2+]Cc1ccccc1[O-])[S@](C)=O ZINC000132555750 591718360 /nfs/dbraw/zinc/71/83/60/591718360.db2.gz YOROUQMTHCOGTQ-MGPLVRAMSA-N 0 3 241.356 1.639 20 10 BDCDHN C[NH2+]C[C@@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000219964081 592268745 /nfs/dbraw/zinc/26/87/45/592268745.db2.gz VKKMXWZKILFJTH-JTQLQIEISA-N 0 3 238.306 1.573 20 10 BDCDHN C[C@H]1CN(Cc2cc(F)ccc2[O-])C[C@H](C)[NH2+]1 ZINC000220137372 592282933 /nfs/dbraw/zinc/28/29/33/592282933.db2.gz LEZPBNOSARMKRZ-UWVGGRQHSA-N 0 3 238.306 1.714 20 10 BDCDHN C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccccc1[O-] ZINC000179558859 632744839 /nfs/dbraw/zinc/74/48/39/632744839.db2.gz ZVZBHXFMJJFVTC-CMPLNLGQSA-N 0 3 248.326 1.478 20 10 BDCDHN C[C@H]1CC[C@@H](C(N)=O)C[N@H+]1Cc1ccccc1[O-] ZINC000179558859 632744843 /nfs/dbraw/zinc/74/48/43/632744843.db2.gz ZVZBHXFMJJFVTC-CMPLNLGQSA-N 0 3 248.326 1.478 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccccc1[O-] ZINC000163988512 633067667 /nfs/dbraw/zinc/06/76/67/633067667.db2.gz JRLIEGIHMNPHAY-DTWKUNHWSA-N 0 3 222.288 1.307 20 10 BDCDHN CCCN1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000328527889 633770358 /nfs/dbraw/zinc/77/03/58/633770358.db2.gz VNHPPVJJUIVGEQ-ZDUSSCGKSA-N 0 3 234.343 1.966 20 10 BDCDHN CSC[C@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000309911883 633933706 /nfs/dbraw/zinc/93/37/06/633933706.db2.gz NDGZLHOAFJPIJB-VHSXEESVSA-N 0 3 241.356 1.767 20 10 BDCDHN CCC1(C[NH2+]Cc2ccccc2[O-])COC1 ZINC000310020255 634078425 /nfs/dbraw/zinc/07/84/25/634078425.db2.gz MWYQPTOSUIPUQS-UHFFFAOYSA-N 0 3 221.300 1.908 20 10 BDCDHN Cc1ccc(O)c([C@@H](C)N[C@H]2CNOC2)c1 ZINC000925868611 635575690 /nfs/dbraw/zinc/57/56/90/635575690.db2.gz FERXRQJSJVBEGO-ZJUUUORDSA-N 0 3 222.288 1.255 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1[O-] ZINC000042544119 637281026 /nfs/dbraw/zinc/28/10/26/637281026.db2.gz APWITNXQFKBVDN-GHMZBOCLSA-N 0 3 220.316 1.747 20 10 BDCDHN CC[C@H](C)C[C@@H](N)C(=O)Nc1ccc(N)cc1 ZINC000911660889 639692813 /nfs/dbraw/zinc/69/28/13/639692813.db2.gz NWISYQBOKOCACX-JOYOIKCWSA-N 0 3 235.331 1.971 20 10 BDCDHN CN1CCC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226586114 640779171 /nfs/dbraw/zinc/77/91/71/640779171.db2.gz IZORPAXLHBLVMK-GFCCVEGCSA-N 0 3 238.306 1.715 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230162478 641033242 /nfs/dbraw/zinc/03/32/42/641033242.db2.gz DAHAPXXJMSHNIM-LLVKDONJSA-N 0 3 221.300 1.908 20 10 BDCDHN CC[C@H](CCO)[NH2+]Cc1ccccc1[O-] ZINC000077453140 641857423 /nfs/dbraw/zinc/85/74/23/641857423.db2.gz BKRSPJAPGICHIO-LLVKDONJSA-N 0 3 209.289 1.643 20 10 BDCDHN C[C@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1[O-] ZINC000070880968 642447786 /nfs/dbraw/zinc/44/77/86/642447786.db2.gz LEMYBCKYWASALJ-ZANVPECISA-N 0 3 221.300 1.814 20 10 BDCDHN Cc1cccc(CN2CCC3(C2)OCCO3)c1O ZINC000180028594 642763685 /nfs/dbraw/zinc/76/36/85/642763685.db2.gz DZODGUCXVKVSIH-UHFFFAOYSA-N 0 3 249.310 1.649 20 10 BDCDHN CCC[N@H+](CCO)Cc1ccccc1[O-] ZINC000304754399 644930995 /nfs/dbraw/zinc/93/09/95/644930995.db2.gz YUZAJTMSVIPGFN-UHFFFAOYSA-N 0 3 209.289 1.597 20 10 BDCDHN CCC[N@@H+](CCO)Cc1ccccc1[O-] ZINC000304754399 644931000 /nfs/dbraw/zinc/93/10/00/644931000.db2.gz YUZAJTMSVIPGFN-UHFFFAOYSA-N 0 3 209.289 1.597 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)CCF ZINC000846098166 645405012 /nfs/dbraw/zinc/40/50/12/645405012.db2.gz ZZVQXVAMNANIMR-SNVBAGLBSA-N 0 3 213.252 1.202 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@H](CO)C1)CC2 ZINC000927149185 645572414 /nfs/dbraw/zinc/57/24/14/645572414.db2.gz XBPKFBOQYPTHQL-YUSALJHKSA-N 0 3 233.311 1.740 20 10 BDCDHN C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1[O-] ZINC000925783626 646479328 /nfs/dbraw/zinc/47/93/28/646479328.db2.gz KKGWIGRNWGVECJ-KBVBSXBZSA-N 0 3 238.306 1.790 20 10 BDCDHN CO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000706498622 712147301 /nfs/dbraw/zinc/14/73/01/712147301.db2.gz JTLMXRHDDTWNHC-XYPYZODXSA-N 0 3 225.263 1.798 20 10 BDCDHN COC(C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000037473015 712644255 /nfs/dbraw/zinc/64/42/55/712644255.db2.gz RMUVODFMUWQKCZ-VIFPVBQESA-N 0 3 225.288 1.662 20 10 BDCDHN C[C@@H](C[NH3+])N(C)Cc1cc(Cl)ccc1[O-] ZINC000383024969 710976584 /nfs/dbraw/zinc/97/65/84/710976584.db2.gz XSLPJHVSAJEUML-QMMMGPOBSA-N 0 3 228.723 1.825 20 10 BDCDHN CC(C)[C@](C)(CO)[NH2+]Cc1ccccc1[O-] ZINC000381471748 710642743 /nfs/dbraw/zinc/64/27/43/710642743.db2.gz MUWADQTTZULQCA-ZDUSSCGKSA-N 0 3 223.316 1.889 20 10 BDCDHN COCC(COC)[NH2+]Cc1ccccc1[O-] ZINC000385063952 711004298 /nfs/dbraw/zinc/00/42/98/711004298.db2.gz UZKWJBLZIBQIBP-UHFFFAOYSA-N 0 3 225.288 1.143 20 10 BDCDHN COC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000382583596 711469622 /nfs/dbraw/zinc/46/96/22/711469622.db2.gz ZBIZPCYYYCKFAN-GFCCVEGCSA-N 0 3 243.278 1.018 20 10 BDCDHN COC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000382583597 711469632 /nfs/dbraw/zinc/46/96/32/711469632.db2.gz ZBIZPCYYYCKFAN-LBPRGKRZSA-N 0 3 243.278 1.018 20 10 BDCDHN CC(C)[C@@H](CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000394031186 711474558 /nfs/dbraw/zinc/47/45/58/711474558.db2.gz CJLZEMSTTVPYAS-LLVKDONJSA-N 0 3 241.306 1.885 20 10 BDCDHN CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2[O-])C1=O ZINC000708663939 712196499 /nfs/dbraw/zinc/19/64/99/712196499.db2.gz BBPZLOTTYKWTCE-JQWIXIFHSA-N 0 3 248.326 1.664 20 10 BDCDHN CC[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000379212072 712371673 /nfs/dbraw/zinc/37/16/73/712371673.db2.gz FJHDJWYREYHCFS-GXFFZTMASA-N 0 3 249.358 1.667 20 10 BDCDHN C[C@H]([NH2+]C1COCCOC1)c1ccccc1[O-] ZINC000379848275 712616838 /nfs/dbraw/zinc/61/68/38/712616838.db2.gz JFWMBFKQEGRLHJ-JTQLQIEISA-N 0 3 237.299 1.458 20 10 BDCDHN CN(C)c1ccc(CNCc2cn[nH]c2)cc1 ZINC000038005588 712799102 /nfs/dbraw/zinc/79/91/02/712799102.db2.gz CHOLRLSZGFUGFM-UHFFFAOYSA-N 0 3 230.315 1.766 20 10 BDCDHN C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccccc1[O-] ZINC000305748069 970787750 /nfs/dbraw/zinc/78/77/50/970787750.db2.gz UKYKTTQYKFSUHN-RYUDHWBXSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1CC[C@H](CO)C[N@H+]1Cc1ccccc1[O-] ZINC000305748069 970787761 /nfs/dbraw/zinc/78/77/61/970787761.db2.gz UKYKTTQYKFSUHN-RYUDHWBXSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccccc1[O-] ZINC000305748070 970788085 /nfs/dbraw/zinc/78/80/85/970788085.db2.gz UKYKTTQYKFSUHN-VXGBXAGGSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CC[C@@H](CO)C[N@H+]1Cc1ccccc1[O-] ZINC000305748070 970788089 /nfs/dbraw/zinc/78/80/89/970788089.db2.gz UKYKTTQYKFSUHN-VXGBXAGGSA-N 0 3 235.327 1.985 20 10 BDCDHN CC1(C)C[C@@H]([NH2+]Cc2ccc(O)cc2[O-])CO1 ZINC000396619951 957065163 /nfs/dbraw/zinc/06/51/63/957065163.db2.gz XALWRVNHILAAHS-SNVBAGLBSA-N 0 3 237.299 1.755 20 10 BDCDHN Cc1ccc(O)c(CN2CCC[C@@H]2C(N)=O)c1 ZINC000160358951 957857703 /nfs/dbraw/zinc/85/77/03/957857703.db2.gz JUXSJYXOVZOZJU-LLVKDONJSA-N 0 3 234.299 1.150 20 10 BDCDHN CO[C@H](C)CC[NH2+]Cc1ccccc1[O-] ZINC000263818869 959575667 /nfs/dbraw/zinc/57/56/67/959575667.db2.gz PJGXNKHUMSFKBR-SNVBAGLBSA-N 0 3 209.289 1.907 20 10 BDCDHN Cc1c(O)ccc(CN2CC3(CN(C)C3)C2)c1O ZINC001140751333 960555079 /nfs/dbraw/zinc/55/50/79/960555079.db2.gz SHYVWBYCNGJGCY-UHFFFAOYSA-N 0 3 248.326 1.154 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001140947886 960740100 /nfs/dbraw/zinc/74/01/00/960740100.db2.gz JQKLMCDKVVFYSU-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CO)[C@H]2C)c([O-])c1 ZINC001140947886 960740117 /nfs/dbraw/zinc/74/01/17/960740117.db2.gz JQKLMCDKVVFYSU-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN C[C@@H](CC(N)=O)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000383581200 963583988 /nfs/dbraw/zinc/58/39/88/963583988.db2.gz FLIXXCWEWWFSFX-WCBMZHEXSA-N 0 3 234.299 1.233 20 10 BDCDHN CC[C@@H](NCc1ccc2c(c1)CCO2)C(=O)NC ZINC000697847687 964564940 /nfs/dbraw/zinc/56/49/40/964564940.db2.gz BJKMAAUEQVJZQA-GFCCVEGCSA-N 0 3 248.326 1.236 20 10 BDCDHN CC1(C[NH3+])CN(Cc2cc(Cl)ccc2[O-])C1 ZINC001206712303 966265584 /nfs/dbraw/zinc/26/55/84/966265584.db2.gz ZSHSHJWJVSMZTM-UHFFFAOYSA-N 0 3 240.734 1.826 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001203550491 966680926 /nfs/dbraw/zinc/68/09/26/966680926.db2.gz VZVIWORKPTVCBF-YPMHNXCESA-N 0 3 239.290 1.687 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001203550491 966680935 /nfs/dbraw/zinc/68/09/35/966680935.db2.gz VZVIWORKPTVCBF-YPMHNXCESA-N 0 3 239.290 1.687 20 10 BDCDHN C[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@H]1CO ZINC001203549899 966683000 /nfs/dbraw/zinc/68/30/00/966683000.db2.gz BWQMQDVNVRMICU-AAEUAGOBSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@H]1CO ZINC001203549899 966683006 /nfs/dbraw/zinc/68/30/06/966683006.db2.gz BWQMQDVNVRMICU-AAEUAGOBSA-N 0 3 235.327 1.985 20 10 BDCDHN CC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203561385 966688033 /nfs/dbraw/zinc/68/80/33/966688033.db2.gz UDHQNHOXBDYAMH-LLVKDONJSA-N 0 3 219.284 1.803 20 10 BDCDHN CC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203561385 966688025 /nfs/dbraw/zinc/68/80/25/966688025.db2.gz UDHQNHOXBDYAMH-LLVKDONJSA-N 0 3 219.284 1.803 20 10 BDCDHN COc1cccc(CN2CC3(CN(C)C3)C2)c1O ZINC001203601991 966702207 /nfs/dbraw/zinc/70/22/07/966702207.db2.gz VOWUJVDTJOJRNM-UHFFFAOYSA-N 0 3 248.326 1.148 20 10 BDCDHN O=C1NCC[C@]12CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203549950 966925492 /nfs/dbraw/zinc/92/54/92/966925492.db2.gz DPHSGIMGIRKPFB-CQSZACIVSA-N 0 3 246.310 1.104 20 10 BDCDHN O=C1NCC[C@]12CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203549950 966925502 /nfs/dbraw/zinc/92/55/02/966925502.db2.gz DPHSGIMGIRKPFB-CQSZACIVSA-N 0 3 246.310 1.104 20 10 BDCDHN C[N@H+](Cc1ccc(O)cc1[O-])CC1(C)COC1 ZINC001204275715 966951092 /nfs/dbraw/zinc/95/10/92/966951092.db2.gz YKSBFJKOEPCVTE-UHFFFAOYSA-N 0 3 237.299 1.566 20 10 BDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])CC1(C)COC1 ZINC001204275715 966951098 /nfs/dbraw/zinc/95/10/98/966951098.db2.gz YKSBFJKOEPCVTE-UHFFFAOYSA-N 0 3 237.299 1.566 20 10 BDCDHN Oc1ccc(CN2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001204272011 966954191 /nfs/dbraw/zinc/95/41/91/966954191.db2.gz GQAZKYLDDPTKAV-ZYHUDNBSSA-N 0 3 241.262 1.003 20 10 BDCDHN Cc1cnccc1Nc1ccc(O)cc1O ZINC001174537780 976823321 /nfs/dbraw/zinc/82/33/21/976823321.db2.gz QFERTTUCVBUBOY-UHFFFAOYSA-N 0 3 216.240 1.967 20 10 BDCDHN Cc1cc(C)c(CN2CCNC(=O)CC2)c(O)c1 ZINC001231842624 977763848 /nfs/dbraw/zinc/76/38/48/977763848.db2.gz VNUFCGLPDNJSHV-UHFFFAOYSA-N 0 3 248.326 1.331 20 10 BDCDHN [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(F)ccc2[O-])C1 ZINC001206424683 978914806 /nfs/dbraw/zinc/91/48/06/978914806.db2.gz RPCBHZSMJAWIKC-WDEREUQCSA-N 0 3 242.269 1.402 20 10 BDCDHN CC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278660 978930989 /nfs/dbraw/zinc/93/09/89/978930989.db2.gz HFNJLFWFJBBGRB-NSHDSACASA-N 0 3 249.310 1.899 20 10 BDCDHN CC(=O)[C@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278660 978930994 /nfs/dbraw/zinc/93/09/94/978930994.db2.gz HFNJLFWFJBBGRB-NSHDSACASA-N 0 3 249.310 1.899 20 10 BDCDHN C[N@H+](CCO)Cc1cc2ccccc2cc1[O-] ZINC001236255872 979478733 /nfs/dbraw/zinc/47/87/33/979478733.db2.gz IUPGCYFHOLQKPQ-UHFFFAOYSA-N 0 3 231.295 1.970 20 10 BDCDHN C[N@@H+](CCO)Cc1cc2ccccc2cc1[O-] ZINC001236255872 979478744 /nfs/dbraw/zinc/47/87/44/979478744.db2.gz IUPGCYFHOLQKPQ-UHFFFAOYSA-N 0 3 231.295 1.970 20 10 BDCDHN CCc1ccc(CN2CC3(CC(O)C3)C2)c(O)c1 ZINC001236782482 979731024 /nfs/dbraw/zinc/73/10/24/979731024.db2.gz BQPZRQYOFVDXOR-UHFFFAOYSA-N 0 3 247.338 1.911 20 10 BDCDHN CCc1ccc(C[N@@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001236783271 979731774 /nfs/dbraw/zinc/73/17/74/979731774.db2.gz JNCWKVJUBHNLRP-CYBMUJFWSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1ccc(C[N@H+]2CCC[C@@H]2CO)c([O-])c1 ZINC001236783271 979731781 /nfs/dbraw/zinc/73/17/81/979731781.db2.gz JNCWKVJUBHNLRP-CYBMUJFWSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1ccc(C[N@@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC001236790413 979739143 /nfs/dbraw/zinc/73/91/43/979739143.db2.gz WXCUDCLBFSWJJW-LBPRGKRZSA-N 0 3 235.327 1.769 20 10 BDCDHN CCc1ccc(C[N@H+]2CC[C@H](CO)C2)c([O-])c1 ZINC001236790413 979739152 /nfs/dbraw/zinc/73/91/52/979739152.db2.gz WXCUDCLBFSWJJW-LBPRGKRZSA-N 0 3 235.327 1.769 20 10 BDCDHN CCN1CCCc2cc(O)c(O)cc2C1 ZINC001201586513 983347706 /nfs/dbraw/zinc/34/77/06/983347706.db2.gz DOHXLBPKUBYVGP-UHFFFAOYSA-N 0 3 207.273 1.866 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C/C=C\CO ZINC000717524648 984212490 /nfs/dbraw/zinc/21/24/90/984212490.db2.gz HGYJGYREWRPNIP-UPHRSURJSA-N 0 3 211.236 1.169 20 10 BDCDHN C[NH2+]C[C@H](C)CNCc1cc(F)cc(F)c1[O-] ZINC001578627611 985244002 /nfs/dbraw/zinc/24/40/02/985244002.db2.gz RWSJNMOIQXTMPS-QMMMGPOBSA-N 0 3 244.285 1.616 20 10 BDCDHN C[NH2+]C[C@H](C)NCc1ccc(Cl)cc1[O-] ZINC001578638747 985250505 /nfs/dbraw/zinc/25/05/05/985250505.db2.gz TWKMMJODPVMYKD-QMMMGPOBSA-N 0 3 228.723 1.743 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718252183 985841410 /nfs/dbraw/zinc/84/14/10/985841410.db2.gz XGFXTOUUDDIWQI-TXEJJXNPSA-N 0 3 219.284 1.470 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718252183 985841421 /nfs/dbraw/zinc/84/14/21/985841421.db2.gz XGFXTOUUDDIWQI-TXEJJXNPSA-N 0 3 219.284 1.470 20 10 BDCDHN COc1cccc(O)c1CN1CC[C@]12CCOC2 ZINC001117994125 987975054 /nfs/dbraw/zinc/97/50/54/987975054.db2.gz KBQRABXPQAHIQR-CQSZACIVSA-N 0 3 249.310 1.766 20 10 BDCDHN COC(=O)Cc1ccc(C[NH+](C)C)c([O-])c1 ZINC001249173566 989261770 /nfs/dbraw/zinc/26/17/70/989261770.db2.gz UDBMPDDQBAQXKE-UHFFFAOYSA-N 0 3 223.272 1.169 20 10 BDCDHN [NH3+]C1(CC(=O)NCc2c([O-])cccc2F)CC1 ZINC001122174235 990277690 /nfs/dbraw/zinc/27/76/90/990277690.db2.gz SCRIENOIAJGLQT-UHFFFAOYSA-N 0 3 238.262 1.029 20 10 BDCDHN COc1cc(C)c(C[NH2+][C@H]2C[C@H](O)C2)c([O-])c1 ZINC001308878071 991197661 /nfs/dbraw/zinc/19/76/61/991197661.db2.gz HTCYIRFZYBFMES-MGCOHNPYSA-N 0 3 237.299 1.322 20 10 BDCDHN CO[C@H](C)C1C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC001140060233 991511768 /nfs/dbraw/zinc/51/17/68/991511768.db2.gz QDZGPIAACOJUNB-SECBINFHSA-N 0 3 239.290 1.998 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140062716 991517471 /nfs/dbraw/zinc/51/74/71/991517471.db2.gz FBIDDXAFNZTJGN-DGCLKSJQSA-N 0 3 237.274 1.895 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001140062716 991517480 /nfs/dbraw/zinc/51/74/80/991517480.db2.gz FBIDDXAFNZTJGN-DGCLKSJQSA-N 0 3 237.274 1.895 20 10 BDCDHN C[C@H](C[NH3+])N(C)Cc1ccc(Cl)cc1[O-] ZINC001576006669 993156155 /nfs/dbraw/zinc/15/61/55/993156155.db2.gz VWHKPTXPGPMGBY-MRVPVSSYSA-N 0 3 228.723 1.825 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000195006909 136221306 /nfs/dbraw/zinc/22/13/06/136221306.db2.gz CNFIXMGENJSMPG-BXKDBHETSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cccc(CN[C@H]2C(=O)NCC[C@H]2C)c1O ZINC000195006909 136221307 /nfs/dbraw/zinc/22/13/07/136221307.db2.gz CNFIXMGENJSMPG-BXKDBHETSA-N 0 3 248.326 1.315 20 10 BDCDHN CC[C@H](CO)[N@H+](C)Cc1ccccc1[O-] ZINC000295027390 398264863 /nfs/dbraw/zinc/26/48/63/398264863.db2.gz CVNCIPZGPIYXGH-LLVKDONJSA-N 0 3 209.289 1.595 20 10 BDCDHN CC[C@H](CO)[N@@H+](C)Cc1ccccc1[O-] ZINC000295027390 398264865 /nfs/dbraw/zinc/26/48/65/398264865.db2.gz CVNCIPZGPIYXGH-LLVKDONJSA-N 0 3 209.289 1.595 20 10 BDCDHN CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000019959871 342964867 /nfs/dbraw/zinc/96/48/67/342964867.db2.gz VYZFVGWSSXTIKK-CYBMUJFWSA-N 0 3 234.343 1.966 20 10 BDCDHN CC[C@@H]([NH2+][C@H](CO)COC)c1ccccc1[O-] ZINC000233899630 343121015 /nfs/dbraw/zinc/12/10/15/343121015.db2.gz KESVOTAXZBYOJP-ZYHUDNBSSA-N 0 3 239.315 1.440 20 10 BDCDHN CC[C@H]([NH2+][C@@H](C)CO)c1ccccc1[O-] ZINC000035602842 343299650 /nfs/dbraw/zinc/29/96/50/343299650.db2.gz YWQZBLCLTGPWSI-ONGXEEELSA-N 0 3 209.289 1.814 20 10 BDCDHN Cc1cccc(C[N@@H+](C)[C@@H](C)CO)c1[O-] ZINC000289488544 179068300 /nfs/dbraw/zinc/06/83/00/179068300.db2.gz RJAXZRIMQPSCPA-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc(C[N@H+](C)[C@@H](C)CO)c1[O-] ZINC000289488544 179068302 /nfs/dbraw/zinc/06/83/02/179068302.db2.gz RJAXZRIMQPSCPA-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc(C[NH+]2CCC(O)CC2)c1[O-] ZINC000132485266 179073842 /nfs/dbraw/zinc/07/38/42/179073842.db2.gz CFWFZFQXFWDJLS-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[NH2+]CCCOCCO)c1[O-] ZINC000227521820 179089923 /nfs/dbraw/zinc/08/99/23/179089923.db2.gz PSIQZBWMXYJGMB-UHFFFAOYSA-N 0 3 239.315 1.189 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H](C)CCO)c1[O-] ZINC000162868411 179094261 /nfs/dbraw/zinc/09/42/61/179094261.db2.gz CWUIJCRDWVLVMG-SNVBAGLBSA-N 0 3 223.316 1.809 20 10 BDCDHN CC(C)[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297613962 188269333 /nfs/dbraw/zinc/26/93/33/188269333.db2.gz IREDGLKZDKQTQM-WCQYABFASA-N 0 3 235.327 1.986 20 10 BDCDHN COC[C@H](O)CC[NH2+]Cc1cc(C)ccc1[O-] ZINC000231607484 353624178 /nfs/dbraw/zinc/62/41/78/353624178.db2.gz FTAHMQVLLOQYMZ-GFCCVEGCSA-N 0 3 239.315 1.188 20 10 BDCDHN NC(=O)CC1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000179558872 181220292 /nfs/dbraw/zinc/22/02/92/181220292.db2.gz KAJAEMCNZHLEBZ-UHFFFAOYSA-N 0 3 248.326 1.480 20 10 BDCDHN CC[C@@H](C)[C@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000169816544 541362915 /nfs/dbraw/zinc/36/29/15/541362915.db2.gz LOKCQGZNNVAHCR-MFKMUULPSA-N 0 3 249.358 1.301 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCCCCO ZINC000083345891 183046985 /nfs/dbraw/zinc/04/69/85/183046985.db2.gz NXTXAHLQUYUSAL-UHFFFAOYSA-N 0 3 209.289 1.644 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCO)CC2 ZINC000296009497 183060655 /nfs/dbraw/zinc/06/06/55/183060655.db2.gz OTEOSLNJOJNZKX-JTQLQIEISA-N 0 3 207.273 1.352 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](O)C1 ZINC000039098685 183268892 /nfs/dbraw/zinc/26/88/92/183268892.db2.gz HORYLZZXUCKIHB-LLVKDONJSA-N 0 3 223.272 1.055 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](O)C1 ZINC000039098685 183268893 /nfs/dbraw/zinc/26/88/93/183268893.db2.gz HORYLZZXUCKIHB-LLVKDONJSA-N 0 3 223.272 1.055 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000187985573 183274634 /nfs/dbraw/zinc/27/46/34/183274634.db2.gz OAXBFHIXOVXFMX-CABZTGNLSA-N 0 3 239.290 1.782 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000190265888 183274795 /nfs/dbraw/zinc/27/47/95/183274795.db2.gz YPARGYYZSKQJEB-AAEUAGOBSA-N 0 3 239.290 1.924 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000363940274 183303152 /nfs/dbraw/zinc/30/31/52/183303152.db2.gz XOOYODZUZZPZDV-GFCCVEGCSA-N 0 3 243.310 1.762 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCOCC1CC1 ZINC000163943630 183303587 /nfs/dbraw/zinc/30/35/87/183303587.db2.gz FTRBJZDIDKTVRB-UHFFFAOYSA-N 0 3 221.300 1.908 20 10 BDCDHN C[N@H+](CCn1cccn1)Cc1ccccc1[O-] ZINC000111236168 383843487 /nfs/dbraw/zinc/84/34/87/383843487.db2.gz QSZGGDZIZDQMMJ-UHFFFAOYSA-N 0 3 231.299 1.721 20 10 BDCDHN C[N@@H+](CCn1cccn1)Cc1ccccc1[O-] ZINC000111236168 383843490 /nfs/dbraw/zinc/84/34/90/383843490.db2.gz QSZGGDZIZDQMMJ-UHFFFAOYSA-N 0 3 231.299 1.721 20 10 BDCDHN CN(C)c1ccc(CN2CCC(CO)CC2)cc1 ZINC000066057174 383845712 /nfs/dbraw/zinc/84/57/12/383845712.db2.gz OSFXNZDHYYXAHK-UHFFFAOYSA-N 0 3 248.370 1.957 20 10 BDCDHN COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000071264961 384156552 /nfs/dbraw/zinc/15/65/52/384156552.db2.gz YVMWENYSVJPPTL-QWRGUYRKSA-N 0 3 239.315 1.359 20 10 BDCDHN COC[C@H](C)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070954769 384143417 /nfs/dbraw/zinc/14/34/17/384143417.db2.gz CWBMBRFQIDVQET-JTQLQIEISA-N 0 3 209.289 1.825 20 10 BDCDHN CN(Cc1ccccc1O)C(=O)C(C)(C)N ZINC000040924076 384170981 /nfs/dbraw/zinc/17/09/81/384170981.db2.gz GMAPGASHMLJJCV-UHFFFAOYSA-N 0 3 222.288 1.088 20 10 BDCDHN C[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000132547165 384236400 /nfs/dbraw/zinc/23/64/00/384236400.db2.gz AKKOQATZGVEWMQ-RKDXNWHRSA-N 0 3 227.279 1.953 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)CC[C@@H](C)O)c1 ZINC000093481761 384241649 /nfs/dbraw/zinc/24/16/49/384241649.db2.gz QTEUIZAKAGSRBO-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)CC[C@@H](C)O)c1 ZINC000093481761 384241652 /nfs/dbraw/zinc/24/16/52/384241652.db2.gz QTEUIZAKAGSRBO-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000083347399 384298064 /nfs/dbraw/zinc/29/80/64/384298064.db2.gz LOVBIAIPAWFUHV-SNVBAGLBSA-N 0 3 213.252 1.392 20 10 BDCDHN C[C@H]([NH2+]CCCN(C)C)c1ccccc1[O-] ZINC000019958455 384564104 /nfs/dbraw/zinc/56/41/04/384564104.db2.gz SFHCJGWSUZQNPG-NSHDSACASA-N 0 3 222.332 1.995 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000125739254 384746390 /nfs/dbraw/zinc/74/63/90/384746390.db2.gz FMOWYZNUCORAEH-QWRGUYRKSA-N 0 3 223.316 1.807 20 10 BDCDHN CC[N@H+](CCO)Cc1cc(C)c(C)cc1[O-] ZINC000127956950 384971410 /nfs/dbraw/zinc/97/14/10/384971410.db2.gz KFJDTOWKOSDZIW-UHFFFAOYSA-N 0 3 223.316 1.823 20 10 BDCDHN CC[N@@H+](CCO)Cc1cc(C)c(C)cc1[O-] ZINC000127956950 384971412 /nfs/dbraw/zinc/97/14/12/384971412.db2.gz KFJDTOWKOSDZIW-UHFFFAOYSA-N 0 3 223.316 1.823 20 10 BDCDHN CC[N@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000127966155 384972197 /nfs/dbraw/zinc/97/21/97/384972197.db2.gz QGMABNBRKCJQBR-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN CC[N@@H+](CCO)Cc1cccc(OC)c1[O-] ZINC000127966155 384972202 /nfs/dbraw/zinc/97/22/02/384972202.db2.gz QGMABNBRKCJQBR-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CO)c1[O-] ZINC000128612166 385054835 /nfs/dbraw/zinc/05/48/35/385054835.db2.gz SVEWLCDKTNZBMZ-ZETCQYMHSA-N 0 3 245.706 1.525 20 10 BDCDHN C[C@@H](NC1CC1)C(=O)NCc1ccccc1O ZINC000295220487 385500201 /nfs/dbraw/zinc/50/02/01/385500201.db2.gz QYYNVFBZKYXLHY-SECBINFHSA-N 0 3 234.299 1.149 20 10 BDCDHN CC(C)(CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000180741103 385544855 /nfs/dbraw/zinc/54/48/55/385544855.db2.gz CFBGMSHGDPLJGD-UHFFFAOYSA-N 0 3 227.279 1.782 20 10 BDCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000185818603 385740583 /nfs/dbraw/zinc/74/05/83/385740583.db2.gz AZZTZHCQGAJKSE-JDGPPOGSSA-N 0 3 221.300 1.809 20 10 BDCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000271356143 385821439 /nfs/dbraw/zinc/82/14/39/385821439.db2.gz MHRSLCBDMAZGDG-NSHDSACASA-N 0 3 235.283 1.387 20 10 BDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000271356143 385821447 /nfs/dbraw/zinc/82/14/47/385821447.db2.gz MHRSLCBDMAZGDG-NSHDSACASA-N 0 3 235.283 1.387 20 10 BDCDHN CO[C@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000234887092 386112855 /nfs/dbraw/zinc/11/28/55/386112855.db2.gz SPGDHDXYOKFEFO-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN CO[C@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000234887092 386112858 /nfs/dbraw/zinc/11/28/58/386112858.db2.gz SPGDHDXYOKFEFO-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000234889316 386114303 /nfs/dbraw/zinc/11/43/03/386114303.db2.gz PPNDVANZNWUBSY-WDEREUQCSA-N 0 3 239.315 1.359 20 10 BDCDHN C[C@H](CO)N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000289470444 386309318 /nfs/dbraw/zinc/30/93/18/386309318.db2.gz PKNGRPWMAQGKCM-SNVBAGLBSA-N 0 3 240.322 1.704 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])CC(C)(C)O ZINC000264730244 386266808 /nfs/dbraw/zinc/26/68/08/386266808.db2.gz QWLNMLAOAGJIMX-UHFFFAOYSA-N 0 3 209.289 1.595 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])CC(C)(C)O ZINC000264730244 386266814 /nfs/dbraw/zinc/26/68/14/386266814.db2.gz QWLNMLAOAGJIMX-UHFFFAOYSA-N 0 3 209.289 1.595 20 10 BDCDHN COC[C@@H](C[NH2+]Cc1cc(C)ccc1[O-])OC ZINC000227704620 386504687 /nfs/dbraw/zinc/50/46/87/386504687.db2.gz HKYSVKLKNSHMFR-GFCCVEGCSA-N 0 3 239.315 1.452 20 10 BDCDHN COC[C@H](C[NH2+]Cc1cc(C)ccc1[O-])OC ZINC000227704623 386505750 /nfs/dbraw/zinc/50/57/50/386505750.db2.gz HKYSVKLKNSHMFR-LBPRGKRZSA-N 0 3 239.315 1.452 20 10 BDCDHN COC[C@@H](CCO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000219128032 387891197 /nfs/dbraw/zinc/89/11/97/387891197.db2.gz IIUGZHSGRNGFHP-GFCCVEGCSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c([O-])c1 ZINC000296084269 388416903 /nfs/dbraw/zinc/41/69/03/388416903.db2.gz XNSYNCIFKLTXEW-UFGOTCBOSA-N 0 3 237.299 1.111 20 10 BDCDHN CC(C)[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297613958 388430149 /nfs/dbraw/zinc/43/01/49/388430149.db2.gz IREDGLKZDKQTQM-AAEUAGOBSA-N 0 3 235.327 1.986 20 10 BDCDHN C[C@@H](C[NH2+][C@@H]1CCc2cccc([O-])c21)N(C)C ZINC000297659965 388431067 /nfs/dbraw/zinc/43/10/67/388431067.db2.gz KNFDAHVBAAOXCB-CMPLNLGQSA-N 0 3 234.343 1.919 20 10 BDCDHN CC[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000274859951 389048637 /nfs/dbraw/zinc/04/86/37/389048637.db2.gz CQOUTCQKYXWLAW-JQWIXIFHSA-N 0 3 248.326 1.664 20 10 BDCDHN COc1cccc(C[NH2+]CC2COC2)c1[O-] ZINC000527816983 322863591 /nfs/dbraw/zinc/86/35/91/322863591.db2.gz JCGQLVNSZSATMU-UHFFFAOYSA-N 0 3 223.272 1.137 20 10 BDCDHN CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000036794755 170095113 /nfs/dbraw/zinc/09/51/13/170095113.db2.gz FNGYXNZCTHFGAR-VIFPVBQESA-N 0 3 222.288 1.006 20 10 BDCDHN CCOCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020092329 170381016 /nfs/dbraw/zinc/38/10/16/170381016.db2.gz DKTILHOBBMKIRA-UHFFFAOYSA-N 0 3 239.315 1.917 20 10 BDCDHN CN(C)c1ccc(CN[C@H]2CCOC2)cc1 ZINC000070964846 172554383 /nfs/dbraw/zinc/55/43/83/172554383.db2.gz SYBZZUMJRBHEKN-LBPRGKRZSA-N 0 3 220.316 1.631 20 10 BDCDHN CN1CCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000082284151 173031777 /nfs/dbraw/zinc/03/17/77/173031777.db2.gz QQGPYNYEPOLHHY-CYBMUJFWSA-N 0 3 247.342 1.022 20 10 BDCDHN CNC(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000179581246 173236886 /nfs/dbraw/zinc/23/68/86/173236886.db2.gz TUYRYOQJROKBQA-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN CNC(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000179581246 173236890 /nfs/dbraw/zinc/23/68/90/173236890.db2.gz TUYRYOQJROKBQA-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN COCCOCCC[NH2+]Cc1ccccc1[O-] ZINC000020191928 174350499 /nfs/dbraw/zinc/35/04/99/174350499.db2.gz WKHLUJUECQVKQV-UHFFFAOYSA-N 0 3 239.315 1.535 20 10 BDCDHN COCC[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000172071657 174399874 /nfs/dbraw/zinc/39/98/74/174399874.db2.gz XIOIXXWZDCFNRQ-CYBMUJFWSA-N 0 3 239.315 1.269 20 10 BDCDHN COC[C@@H](O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226618234 174489653 /nfs/dbraw/zinc/48/96/53/174489653.db2.gz UMQYVAZUSLPPNA-NSHDSACASA-N 0 3 243.278 1.018 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CCc2cn[nH]c2)c1 ZINC000291621759 175159115 /nfs/dbraw/zinc/15/91/15/175159115.db2.gz RQDLKAWDHBVVEU-UHFFFAOYSA-N 0 3 247.298 1.456 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000020092619 175159209 /nfs/dbraw/zinc/15/92/09/175159209.db2.gz FUXWXLZIMYGGHR-GFCCVEGCSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC[C@H](C)OC)c1 ZINC000271901781 175159365 /nfs/dbraw/zinc/15/93/65/175159365.db2.gz VUEZREMUCJKYEG-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000367840376 175261915 /nfs/dbraw/zinc/26/19/15/175261915.db2.gz QJDGTLKYHRMNTO-GDNZZTSVSA-N 0 3 249.310 1.071 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000367840376 175261916 /nfs/dbraw/zinc/26/19/16/175261916.db2.gz QJDGTLKYHRMNTO-GDNZZTSVSA-N 0 3 249.310 1.071 20 10 BDCDHN COc1cccc(C[NH2+]C[C@H](C)N(C)C)c1[O-] ZINC000038088870 175264393 /nfs/dbraw/zinc/26/43/93/175264393.db2.gz XBVMRTKZODUYEA-JTQLQIEISA-N 0 3 238.331 1.441 20 10 BDCDHN COc1cccc(C[NH2+]CC[C@H](C)OC)c1[O-] ZINC000263831254 175264924 /nfs/dbraw/zinc/26/49/24/175264924.db2.gz VINWYZUYBITWRJ-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN COc1cccc(CN[C@@H](C)CF)c1O ZINC000288453172 175265830 /nfs/dbraw/zinc/26/58/30/175265830.db2.gz NEIJHCZCFNQQMJ-QMMMGPOBSA-N 0 3 213.252 1.848 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)C[S@](C)=O)c([O-])c1 ZINC000877311336 583311952 /nfs/dbraw/zinc/31/19/52/583311952.db2.gz VUJHZZQRXFOGIF-QFYYESIMSA-N 0 3 241.356 1.557 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000877468773 583317193 /nfs/dbraw/zinc/31/71/93/583317193.db2.gz MPXKOIGQVHSBHJ-NEPJUHHUSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[NH2+]C2([C@H](C)O)CC2)c([O-])c1 ZINC000877637479 583339748 /nfs/dbraw/zinc/33/97/48/583339748.db2.gz IWDDSGWBJIZKMN-JTQLQIEISA-N 0 3 221.300 1.704 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1COCO1 ZINC000894880141 583543465 /nfs/dbraw/zinc/54/34/65/583543465.db2.gz AMLUXJWMAPNOMV-JTQLQIEISA-N 0 3 223.272 1.163 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895652511 583703779 /nfs/dbraw/zinc/70/37/79/583703779.db2.gz HTDKQYYMTKSCFW-BXKDBHETSA-N 0 3 223.247 1.098 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895652511 583703780 /nfs/dbraw/zinc/70/37/80/583703780.db2.gz HTDKQYYMTKSCFW-BXKDBHETSA-N 0 3 223.247 1.098 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000896554153 583811517 /nfs/dbraw/zinc/81/15/17/583811517.db2.gz HUTFHRYRMHGEJO-YPMHNXCESA-N 0 3 234.343 1.883 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000896554152 583812165 /nfs/dbraw/zinc/81/21/65/583812165.db2.gz HUTFHRYRMHGEJO-WCQYABFASA-N 0 3 234.343 1.883 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](OC)C1 ZINC000858321839 588945152 /nfs/dbraw/zinc/94/51/52/588945152.db2.gz HIBFLJVECRCDCE-MGCOHNPYSA-N 0 3 237.299 1.668 20 10 BDCDHN CCOc1ccc(CN(C)C[C@@H](C)[NH3+])c([O-])c1 ZINC000863650780 583994964 /nfs/dbraw/zinc/99/49/64/583994964.db2.gz AAJINOMYKIDOOM-SNVBAGLBSA-N 0 3 238.331 1.570 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897818481 584050896 /nfs/dbraw/zinc/05/08/96/584050896.db2.gz JFBOEKIVXOFYSB-QXJJFIIZSA-N 0 3 249.285 1.797 20 10 BDCDHN C[NH2+]CCCNCc1cccc(Cl)c1[O-] ZINC000841042007 584119469 /nfs/dbraw/zinc/11/94/69/584119469.db2.gz KRVIDBYAPWYABB-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN CNCCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841042007 584119472 /nfs/dbraw/zinc/11/94/72/584119472.db2.gz KRVIDBYAPWYABB-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN Cc1cc(C)c(O)c(CN2CC[C@H]2CO)c1 ZINC000902629894 584646172 /nfs/dbraw/zinc/64/61/72/584646172.db2.gz JQONPYUALCYPEY-LBPRGKRZSA-N 0 3 221.300 1.576 20 10 BDCDHN COC[C@H](CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877050410 584889015 /nfs/dbraw/zinc/88/90/15/584889015.db2.gz ZQQXPGJSUOJOCX-LBPRGKRZSA-N 0 3 239.315 1.188 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000839129716 585093583 /nfs/dbraw/zinc/09/35/83/585093583.db2.gz PRTUEHUGABQSJI-ZYHUDNBSSA-N 0 3 237.299 1.404 20 10 BDCDHN CCNC(=O)C1CN(Cc2cccc(C)c2O)C1 ZINC000839138485 585094252 /nfs/dbraw/zinc/09/42/52/585094252.db2.gz MAJVMZNNWZZECO-UHFFFAOYSA-N 0 3 248.326 1.269 20 10 BDCDHN O=C1NCCC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000839196652 585098989 /nfs/dbraw/zinc/09/89/89/585098989.db2.gz WRUOOWZWTLRZAW-NSHDSACASA-N 0 3 234.299 1.008 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1(O)CCC1 ZINC000761218320 585412616 /nfs/dbraw/zinc/41/26/16/585412616.db2.gz AXYQBGJBUMWJBW-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1(O)CCC1 ZINC000761218320 585412617 /nfs/dbraw/zinc/41/26/17/585412617.db2.gz AXYQBGJBUMWJBW-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)C1CC1 ZINC000768335261 585535759 /nfs/dbraw/zinc/53/57/59/585535759.db2.gz KWLRXKZYSAVRKH-UHFFFAOYSA-N 0 3 207.273 1.995 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)C1CC1 ZINC000768335261 585535760 /nfs/dbraw/zinc/53/57/60/585535760.db2.gz KWLRXKZYSAVRKH-UHFFFAOYSA-N 0 3 207.273 1.995 20 10 BDCDHN CC[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768440143 585538668 /nfs/dbraw/zinc/53/86/68/585538668.db2.gz DIPUGXZTTGDGTK-ZDUSSCGKSA-N 0 3 249.310 1.802 20 10 BDCDHN CC[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CC1 ZINC000768440143 585538669 /nfs/dbraw/zinc/53/86/69/585538669.db2.gz DIPUGXZTTGDGTK-ZDUSSCGKSA-N 0 3 249.310 1.802 20 10 BDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCC1 ZINC000768465360 585539158 /nfs/dbraw/zinc/53/91/58/585539158.db2.gz HJMXFSKNDLPILZ-CYBMUJFWSA-N 0 3 249.310 1.802 20 10 BDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CCC1 ZINC000768465360 585539159 /nfs/dbraw/zinc/53/91/59/585539159.db2.gz HJMXFSKNDLPILZ-CYBMUJFWSA-N 0 3 249.310 1.802 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778189584 585727144 /nfs/dbraw/zinc/72/71/44/585727144.db2.gz RDDATNXFPLDYLF-GFCCVEGCSA-N 0 3 243.310 1.693 20 10 BDCDHN Oc1cc2c(cc1CN1CC=CCC1)OCO2 ZINC000778577778 585737702 /nfs/dbraw/zinc/73/77/02/585737702.db2.gz XSQSWFLYAHHPHM-UHFFFAOYSA-N 0 3 233.267 1.883 20 10 BDCDHN C[C@H](O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000789347172 585940816 /nfs/dbraw/zinc/94/08/16/585940816.db2.gz DYFFXEKKYGJEKV-NSHDSACASA-N 0 3 223.316 1.985 20 10 BDCDHN C[C@H](O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000789347172 585940817 /nfs/dbraw/zinc/94/08/17/585940817.db2.gz DYFFXEKKYGJEKV-NSHDSACASA-N 0 3 223.316 1.985 20 10 BDCDHN COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000792197605 585997318 /nfs/dbraw/zinc/99/73/18/585997318.db2.gz ZBIUMUBHKAQFHO-ZYHUDNBSSA-N 0 3 249.310 1.824 20 10 BDCDHN CCOc1ccc(C[N@H+](C)CCCO)c([O-])c1 ZINC000799740285 586195411 /nfs/dbraw/zinc/19/54/11/586195411.db2.gz YEQYNHNPAGEIAV-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCOc1ccc(C[N@@H+](C)CCCO)c([O-])c1 ZINC000799740285 586195412 /nfs/dbraw/zinc/19/54/12/586195412.db2.gz YEQYNHNPAGEIAV-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN COc1cccc(CN2CC(C)C2)c1O ZINC000802651241 586307448 /nfs/dbraw/zinc/30/74/48/586307448.db2.gz KSHFSBSYYKHFRJ-UHFFFAOYSA-N 0 3 207.273 1.853 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCCOC1 ZINC000808436541 586472210 /nfs/dbraw/zinc/47/22/10/586472210.db2.gz ZUILGYHKIBHJDC-JTQLQIEISA-N 0 3 237.299 1.669 20 10 BDCDHN CC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000816660765 586753336 /nfs/dbraw/zinc/75/33/36/586753336.db2.gz OMPUITCXWNTFCO-ZDUSSCGKSA-N 0 3 234.343 1.918 20 10 BDCDHN CC[C@H]1CN(C)CC[N@H+]1Cc1ccccc1[O-] ZINC000816660765 586753338 /nfs/dbraw/zinc/75/33/38/586753338.db2.gz OMPUITCXWNTFCO-ZDUSSCGKSA-N 0 3 234.343 1.918 20 10 BDCDHN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000817414117 586801925 /nfs/dbraw/zinc/80/19/25/586801925.db2.gz GBDVBAGFZNLLGM-BXKDBHETSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000817414117 586801926 /nfs/dbraw/zinc/80/19/26/586801926.db2.gz GBDVBAGFZNLLGM-BXKDBHETSA-N 0 3 239.290 1.877 20 10 BDCDHN [O-]c1cccc2c1[C@@H](N[C@@H]1CC[NH2+]C1)CC2 ZINC000817944608 586846014 /nfs/dbraw/zinc/84/60/14/586846014.db2.gz IAOHRXDULMPLMM-MNOVXSKESA-N 0 3 218.300 1.331 20 10 BDCDHN CC[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000817944913 586846140 /nfs/dbraw/zinc/84/61/40/586846140.db2.gz OYTKDFREGPLTGM-JQWIXIFHSA-N 0 3 220.316 1.795 20 10 BDCDHN C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817951224 586847621 /nfs/dbraw/zinc/84/76/21/586847621.db2.gz BXLWVNNXVCZYHA-GXSJLCMTSA-N 0 3 238.306 1.934 20 10 BDCDHN CNCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817952450 586847893 /nfs/dbraw/zinc/84/78/93/586847893.db2.gz QAINUKMRODSFQO-QMMMGPOBSA-N 0 3 212.268 1.401 20 10 BDCDHN C[NH2+]CCN[C@@H](C)c1ccc(F)cc1[O-] ZINC000817952450 586847895 /nfs/dbraw/zinc/84/78/95/586847895.db2.gz QAINUKMRODSFQO-QMMMGPOBSA-N 0 3 212.268 1.401 20 10 BDCDHN C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817951227 586848121 /nfs/dbraw/zinc/84/81/21/586848121.db2.gz BXLWVNNXVCZYHA-ONGXEEELSA-N 0 3 238.306 1.934 20 10 BDCDHN C[NH2+]CCN[C@H](C)c1cc(F)ccc1[O-] ZINC000817952898 586849230 /nfs/dbraw/zinc/84/92/30/586849230.db2.gz WJXKDRLBUOOZIN-MRVPVSSYSA-N 0 3 212.268 1.401 20 10 BDCDHN NC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C1CC1 ZINC000817960264 586851206 /nfs/dbraw/zinc/85/12/06/586851206.db2.gz LHBYWTJRECOYTK-NEPJUHHUSA-N 0 3 232.327 1.706 20 10 BDCDHN C[C@@H](CN)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817969362 586856042 /nfs/dbraw/zinc/85/60/42/586856042.db2.gz CPRHXCGBDGRQNH-BQBZGAKWSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@@H](C[NH3+])N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817969362 586856044 /nfs/dbraw/zinc/85/60/44/586856044.db2.gz CPRHXCGBDGRQNH-BQBZGAKWSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)ccc1[O-] ZINC000817977311 586861241 /nfs/dbraw/zinc/86/12/41/586861241.db2.gz HGJYDTGDOHKKSU-XDRUHAPNSA-N 0 3 236.290 1.400 20 10 BDCDHN CN(C)c1ccc(/C=C/CN[C@@H]2CC[C@H]2O)cc1 ZINC000818230559 586880674 /nfs/dbraw/zinc/88/06/74/586880674.db2.gz GNQJYOIZGPWTSW-LRPXVYOUSA-N 0 3 246.354 1.879 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000825279561 587312671 /nfs/dbraw/zinc/31/26/71/587312671.db2.gz RSCLDQYQXJXVEJ-CMPLNLGQSA-N 0 3 248.326 1.444 20 10 BDCDHN COc1cccc(CN(C)Cc2cnc[nH]2)c1O ZINC000826770619 587362035 /nfs/dbraw/zinc/36/20/35/587362035.db2.gz YKDCVEDHEIIBFU-UHFFFAOYSA-N 0 3 247.298 1.756 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289927 587375471 /nfs/dbraw/zinc/37/54/71/587375471.db2.gz FCDDKOJEAWLCIK-IINYFYTJSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289927 587375472 /nfs/dbraw/zinc/37/54/72/587375472.db2.gz FCDDKOJEAWLCIK-IINYFYTJSA-N 0 3 249.310 1.358 20 10 BDCDHN C[C@@H](O)C1([NH2+]Cc2ccccc2[O-])CC1 ZINC000827580544 587389841 /nfs/dbraw/zinc/38/98/41/587389841.db2.gz UMBCZLKRPCNWKJ-SECBINFHSA-N 0 3 207.273 1.395 20 10 BDCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000827812643 587403893 /nfs/dbraw/zinc/40/38/93/587403893.db2.gz STIFPVKVQDDTKL-XYPYZODXSA-N 0 3 235.283 1.433 20 10 BDCDHN CN(C)c1ccc(CN2CC(C)(C(N)=O)C2)cc1 ZINC000829070565 587481924 /nfs/dbraw/zinc/48/19/24/587481924.db2.gz WBOUJAHDBSHGJG-UHFFFAOYSA-N 0 3 247.342 1.060 20 10 BDCDHN C[C@@]1(C[NH2+]Cc2ccccc2[O-])CCC(=O)N1 ZINC000835059829 587779944 /nfs/dbraw/zinc/77/99/44/587779944.db2.gz DXAFVEJOFDEYCU-ZDUSSCGKSA-N 0 3 234.299 1.151 20 10 BDCDHN COc1cccc([O-])c1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000841025854 587935436 /nfs/dbraw/zinc/93/54/36/587935436.db2.gz LCYAULWBVCSXFE-ONGXEEELSA-N 0 3 236.315 1.322 20 10 BDCDHN NC1(C[NH2+]Cc2cccc(F)c2[O-])CCC1 ZINC000841048829 587939708 /nfs/dbraw/zinc/93/97/08/587939708.db2.gz MACUQXWUMXYXJC-UHFFFAOYSA-N 0 3 224.279 1.502 20 10 BDCDHN [NH3+]C1(CNCc2cccc(F)c2[O-])CCC1 ZINC000841048829 587939709 /nfs/dbraw/zinc/93/97/09/587939709.db2.gz MACUQXWUMXYXJC-UHFFFAOYSA-N 0 3 224.279 1.502 20 10 BDCDHN C[C@@H](CN)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841049792 587940315 /nfs/dbraw/zinc/94/03/15/587940315.db2.gz WKFULCNIHXSPNW-QMMMGPOBSA-N 0 3 228.723 1.730 20 10 BDCDHN CC[NH2+][C@H](C)CNCc1cccc(F)c1[O-] ZINC000841066996 587942337 /nfs/dbraw/zinc/94/23/37/587942337.db2.gz YXGWXUJJCHRZLK-SECBINFHSA-N 0 3 226.295 1.619 20 10 BDCDHN CCN[C@H](C)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841066996 587942338 /nfs/dbraw/zinc/94/23/38/587942338.db2.gz YXGWXUJJCHRZLK-SECBINFHSA-N 0 3 226.295 1.619 20 10 BDCDHN Oc1ccccc1CN[C@@H]1CNCCC1(F)F ZINC000841075763 587943971 /nfs/dbraw/zinc/94/39/71/587943971.db2.gz WDHLGJQTRYSDGP-LLVKDONJSA-N 0 3 242.269 1.479 20 10 BDCDHN NC[C@H]([NH2+]Cc1ccccc1[O-])C1CCCC1 ZINC000841088256 587945753 /nfs/dbraw/zinc/94/57/53/587945753.db2.gz UHMMPZIRZCSWMY-ZDUSSCGKSA-N 0 3 234.343 1.999 20 10 BDCDHN C[NH2+]CCCN(C)Cc1cccc(F)c1[O-] ZINC000841103301 587946281 /nfs/dbraw/zinc/94/62/81/587946281.db2.gz GFKJLZCMFUNLCJ-UHFFFAOYSA-N 0 3 226.295 1.573 20 10 BDCDHN C[C@@]1(O)C[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000841890652 587982137 /nfs/dbraw/zinc/98/21/37/587982137.db2.gz DDHURVNKFOPONB-KLPPZKSPSA-N 0 3 207.273 1.395 20 10 BDCDHN C[NH2+][C@@H]1CCN(Cc2c([O-])cccc2OC)C1 ZINC000843045422 588076007 /nfs/dbraw/zinc/07/60/07/588076007.db2.gz QHEBEENYHXYDPA-SNVBAGLBSA-N 0 3 236.315 1.195 20 10 BDCDHN [NH3+]C1CCN(Cc2cccc(F)c2[O-])CC1 ZINC000843047244 588076214 /nfs/dbraw/zinc/07/62/14/588076214.db2.gz HQXWSTIEQKGEBC-UHFFFAOYSA-N 0 3 224.279 1.454 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]CCCCO)c1[O-] ZINC000846163985 588258962 /nfs/dbraw/zinc/25/89/62/588258962.db2.gz CVMARBGNKMFGQA-SNVBAGLBSA-N 0 3 239.315 1.824 20 10 BDCDHN CCc1cccc(CNC2(C(N)=O)CC2)c1O ZINC000848903007 588418834 /nfs/dbraw/zinc/41/88/34/588418834.db2.gz WTTJCEYIMXYSHI-UHFFFAOYSA-N 0 3 234.299 1.062 20 10 BDCDHN CCNC(=[NH2+])NCc1ccc(OC)cc1[O-] ZINC000849025017 588440225 /nfs/dbraw/zinc/44/02/25/588440225.db2.gz JUOSLGWPWJQLQS-UHFFFAOYSA-N 0 3 223.276 1.035 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]C/C=C\CO)c1[O-] ZINC000850510219 588554709 /nfs/dbraw/zinc/55/47/09/588554709.db2.gz VZCLDENULHUBDD-UMBAGQNISA-N 0 3 237.299 1.600 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862439957 589212977 /nfs/dbraw/zinc/21/29/77/589212977.db2.gz CINGKJBOMQNAFS-PHIMTYICSA-N 0 3 219.284 1.853 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1[O-] ZINC000862439957 589212978 /nfs/dbraw/zinc/21/29/78/589212978.db2.gz CINGKJBOMQNAFS-PHIMTYICSA-N 0 3 219.284 1.853 20 10 BDCDHN COc1ccc([O-])c(CNC(=[NH2+])N[C@H]2C[C@@H]2C)c1 ZINC000864462053 589369297 /nfs/dbraw/zinc/36/92/97/589369297.db2.gz RCQWKHIPLSHDHQ-KWQFWETISA-N 0 3 249.314 1.423 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c([O-])c1 ZINC000866421210 589492215 /nfs/dbraw/zinc/49/22/15/589492215.db2.gz XNSYNCIFKLTXEW-XWIASGKRSA-N 0 3 237.299 1.111 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(C)(C)O ZINC000122089639 589553882 /nfs/dbraw/zinc/55/38/82/589553882.db2.gz LWIQRJVCTPHOIV-VIFPVBQESA-N 0 3 209.289 1.641 20 10 BDCDHN CN[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988577 589706933 /nfs/dbraw/zinc/70/69/33/589706933.db2.gz TZVQAIOUADXMDP-BDAKNGLRSA-N 0 3 222.288 1.177 20 10 BDCDHN CC[C@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988217 589707058 /nfs/dbraw/zinc/70/70/58/589707058.db2.gz JCGOGVCBXZYIJT-WPRPVWTQSA-N 0 3 222.288 1.307 20 10 BDCDHN Cc1cccc(CN[C@H]2CCCNC2=O)c1O ZINC000124754122 590081212 /nfs/dbraw/zinc/08/12/12/590081212.db2.gz ITVCXSZOYDKXII-NSHDSACASA-N 0 3 234.299 1.069 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2CCCNC2=O)c1[O-] ZINC000124754122 590081215 /nfs/dbraw/zinc/08/12/15/590081215.db2.gz ITVCXSZOYDKXII-NSHDSACASA-N 0 3 234.299 1.069 20 10 BDCDHN CCN[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000876504809 590204161 /nfs/dbraw/zinc/20/41/61/590204161.db2.gz XNIXBRUUESVWGB-MRVPVSSYSA-N 0 3 207.277 1.205 20 10 BDCDHN CCC[N@H+](CCO)Cc1c(C)cccc1[O-] ZINC000876537898 590211486 /nfs/dbraw/zinc/21/14/86/590211486.db2.gz HDMKHAUHEARBRS-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CCC[N@@H+](CCO)Cc1c(C)cccc1[O-] ZINC000876537898 590211488 /nfs/dbraw/zinc/21/14/88/590211488.db2.gz HDMKHAUHEARBRS-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1cccc(O)c1CN1CCC2(C1)OCCO2 ZINC000876684510 590230569 /nfs/dbraw/zinc/23/05/69/590230569.db2.gz PHNBGHLGMVFNSZ-UHFFFAOYSA-N 0 3 249.310 1.649 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC000876791020 590241194 /nfs/dbraw/zinc/24/11/94/590241194.db2.gz HSMIQHLVJZYACM-CYBMUJFWSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC000876791020 590241195 /nfs/dbraw/zinc/24/11/95/590241195.db2.gz HSMIQHLVJZYACM-CYBMUJFWSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1COCCO1 ZINC000876951207 590260535 /nfs/dbraw/zinc/26/05/35/590260535.db2.gz HBDGDLLRAMSWAD-LLVKDONJSA-N 0 3 237.299 1.206 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCc1cnn(C)c1 ZINC000876954259 590260741 /nfs/dbraw/zinc/26/07/41/590260741.db2.gz JIRAXKUEKUOCNE-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN CNC(=O)CCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876983447 590264576 /nfs/dbraw/zinc/26/45/76/590264576.db2.gz QFWFGEGNUKWUKV-UHFFFAOYSA-N 0 3 236.315 1.316 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@@H](C)O ZINC000877089846 590281126 /nfs/dbraw/zinc/28/11/26/590281126.db2.gz QRIYGZXHLFUKDD-SNVBAGLBSA-N 0 3 209.289 1.561 20 10 BDCDHN CC[C@@H](O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877110677 590286659 /nfs/dbraw/zinc/28/66/59/590286659.db2.gz CBEWFSCBSKIHJN-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@H]2CO)c([O-])c1 ZINC000877464001 590332723 /nfs/dbraw/zinc/33/27/23/590332723.db2.gz IETOMNYOXFVPCQ-WCQYABFASA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H]2CO)c([O-])c1 ZINC000877464001 590332726 /nfs/dbraw/zinc/33/27/26/590332726.db2.gz IETOMNYOXFVPCQ-WCQYABFASA-N 0 3 235.327 1.903 20 10 BDCDHN CCN(Cc1ccc(C)cc1O)[C@@H]1CCNC1=O ZINC000877499167 590341463 /nfs/dbraw/zinc/34/14/63/590341463.db2.gz LZWBQOKAHWYDSC-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H](C)O ZINC000877567834 590361694 /nfs/dbraw/zinc/36/16/94/590361694.db2.gz BUIQKSBWIALVJN-ZYHUDNBSSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c([O-])c1 ZINC000877567676 590361761 /nfs/dbraw/zinc/36/17/61/590361761.db2.gz ORZHUYCIAYCUFR-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)c([O-])c1 ZINC000877567676 590361764 /nfs/dbraw/zinc/36/17/64/590361764.db2.gz ORZHUYCIAYCUFR-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc(C[N@@H+](C)[C@H](C)CCO)c([O-])c1 ZINC000877615532 590374884 /nfs/dbraw/zinc/37/48/84/590374884.db2.gz SOWNAMNWWHHBIZ-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@H+](C)[C@H](C)CCO)c([O-])c1 ZINC000877615532 590374886 /nfs/dbraw/zinc/37/48/86/590374886.db2.gz SOWNAMNWWHHBIZ-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CC2CN(C)C2)c([O-])c1 ZINC000877629185 590377908 /nfs/dbraw/zinc/37/79/08/590377908.db2.gz RNDVMDBSUKPMEF-UHFFFAOYSA-N 0 3 234.343 1.694 20 10 BDCDHN Cc1ccc(C[N@H+](C)CC2CN(C)C2)c([O-])c1 ZINC000877629185 590377911 /nfs/dbraw/zinc/37/79/11/590377911.db2.gz RNDVMDBSUKPMEF-UHFFFAOYSA-N 0 3 234.343 1.694 20 10 BDCDHN CO[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877661130 590387240 /nfs/dbraw/zinc/38/72/40/590387240.db2.gz WCTPUWPMKXTTSH-HAQNSBGRSA-N 0 3 221.300 1.968 20 10 BDCDHN Cc1ccc(CNC2(C)COC2)c(O)c1 ZINC000877691714 590392983 /nfs/dbraw/zinc/39/29/83/590392983.db2.gz UEUBSONNHPDOKA-UHFFFAOYSA-N 0 3 207.273 1.579 20 10 BDCDHN CN(Cc1c([O-])cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000128327094 590992959 /nfs/dbraw/zinc/99/29/59/590992959.db2.gz YCWWYTYBFFTVFO-VIFPVBQESA-N 0 3 240.734 1.839 20 10 BDCDHN CN(Cc1c([O-])cccc1Cl)C1C[NH2+]C1 ZINC000128342432 590999586 /nfs/dbraw/zinc/99/95/86/590999586.db2.gz HPJUFFMCYIMDJO-UHFFFAOYSA-N 0 3 226.707 1.449 20 10 BDCDHN C[C@@H]1CN(Cc2c([O-])cccc2Cl)CC[NH2+]1 ZINC000128336814 590999591 /nfs/dbraw/zinc/99/95/91/590999591.db2.gz QDMNEOBDCVAPLN-SECBINFHSA-N 0 3 240.734 1.839 20 10 BDCDHN CN(C)c1ccc(CN2CC=C[C@@H]2CO)cc1 ZINC000880492685 591071934 /nfs/dbraw/zinc/07/19/34/591071934.db2.gz UYVBVYFXGOBPGE-CQSZACIVSA-N 0 3 232.327 1.485 20 10 BDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC1CC1 ZINC000135718942 592033777 /nfs/dbraw/zinc/03/37/77/592033777.db2.gz WGDJEZFLUWTWHE-NXEZZACHSA-N 0 3 248.326 1.710 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000136401523 592116928 /nfs/dbraw/zinc/11/69/28/592116928.db2.gz OWMKUCAMPTXCLI-SECBINFHSA-N 0 3 235.205 1.405 20 10 BDCDHN C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000136822171 592151554 /nfs/dbraw/zinc/15/15/54/592151554.db2.gz JDVONYTWGVEICU-NWDGAFQWSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000136822171 592151557 /nfs/dbraw/zinc/15/15/57/592151557.db2.gz JDVONYTWGVEICU-NWDGAFQWSA-N 0 3 235.327 1.985 20 10 BDCDHN COc1cccc(CNC(=[NH2+])NCC2CC2)c1[O-] ZINC000887352991 592486524 /nfs/dbraw/zinc/48/65/24/592486524.db2.gz XNBSQAXWZFCODN-UHFFFAOYSA-N 0 3 249.314 1.425 20 10 BDCDHN COc1ccc(CNC(=[NH2+])NCC2CC2)c([O-])c1 ZINC000887357769 592488691 /nfs/dbraw/zinc/48/86/91/592488691.db2.gz DOGMIBWVIOZBEE-UHFFFAOYSA-N 0 3 249.314 1.425 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])c1ccnn1C ZINC000235199964 632525320 /nfs/dbraw/zinc/52/53/20/632525320.db2.gz RZWBBFKFJAVMEU-SNVBAGLBSA-N 0 3 231.299 1.977 20 10 BDCDHN CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179557389 632747297 /nfs/dbraw/zinc/74/72/97/632747297.db2.gz RVAUVWSLKYGJNC-CYBMUJFWSA-N 0 3 248.326 1.493 20 10 BDCDHN CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179557389 632747304 /nfs/dbraw/zinc/74/73/04/632747304.db2.gz RVAUVWSLKYGJNC-CYBMUJFWSA-N 0 3 248.326 1.493 20 10 BDCDHN CN(C)CCSc1ncc([N+](=O)[O-])s1 ZINC000192483416 634235844 /nfs/dbraw/zinc/23/58/44/634235844.db2.gz KQPZUSKZQQAALN-UHFFFAOYSA-N 0 3 233.318 1.705 20 10 BDCDHN CC[S@](=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609307 635438972 /nfs/dbraw/zinc/43/89/72/635438972.db2.gz ZMBPGEVHABGXQB-INIZCTEOSA-N 0 3 245.319 1.390 20 10 BDCDHN C[S@@](=O)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610836 640777971 /nfs/dbraw/zinc/77/79/71/640777971.db2.gz QENBEQZXFQCHPN-MRXNPFEDSA-N 0 3 245.319 1.390 20 10 BDCDHN COc1ccc(C[NH2+][C@@H]2CCSC2)c([O-])c1 ZINC000230705307 641085265 /nfs/dbraw/zinc/08/52/65/641085265.db2.gz ZKLMXEFEIIJXCA-SNVBAGLBSA-N 0 3 239.340 1.996 20 10 BDCDHN CN(C)c1ccc(CN(C)C(=O)C2(N)CC2)cc1 ZINC000088130354 641317587 /nfs/dbraw/zinc/31/75/87/641317587.db2.gz RZNSQHLRRRRGRE-UHFFFAOYSA-N 0 3 247.342 1.202 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914433012 641701787 /nfs/dbraw/zinc/70/17/87/641701787.db2.gz IZYFJCKAVVQUOW-STQMWFEESA-N 0 3 233.311 1.907 20 10 BDCDHN Cn1cc(CCC[NH2+]Cc2ccccc2[O-])cn1 ZINC000237778246 642744484 /nfs/dbraw/zinc/74/44/84/642744484.db2.gz SPHNROWKDMJCBO-UHFFFAOYSA-N 0 3 245.326 1.848 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCN1C ZINC000922575769 644029521 /nfs/dbraw/zinc/02/95/21/644029521.db2.gz MZJLDRHJSBZTOK-SNVBAGLBSA-N 0 3 236.315 1.195 20 10 BDCDHN C[C@H](N[C@@H]1CNOC1)c1cc(F)ccc1O ZINC000925862634 646514311 /nfs/dbraw/zinc/51/43/11/646514311.db2.gz WTEYOXGPHMYZLW-IONNQARKSA-N 0 3 226.251 1.085 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C/C=C\CO)CC2 ZINC000717531859 712660749 /nfs/dbraw/zinc/66/07/49/712660749.db2.gz IJADYHRJSWGVKJ-BVBSBALXSA-N 0 3 219.284 1.518 20 10 BDCDHN COC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000382548969 710973857 /nfs/dbraw/zinc/97/38/57/710973857.db2.gz GWHJOWAVEJKDJA-ZWNOBZJWSA-N 0 3 239.315 1.440 20 10 BDCDHN CCN1C[C@H]([NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC000391595226 711138694 /nfs/dbraw/zinc/13/86/94/711138694.db2.gz HINVPNHIUZEKSQ-GHMZBOCLSA-N 0 3 248.326 1.664 20 10 BDCDHN CCN1C[C@@H]([NH2+][C@H](C)c2ccccc2[O-])CC1=O ZINC000391595232 711138795 /nfs/dbraw/zinc/13/87/95/711138795.db2.gz HINVPNHIUZEKSQ-MNOVXSKESA-N 0 3 248.326 1.664 20 10 BDCDHN Cc1nc([C@H](C)NCc2cc(C)ccc2O)n[nH]1 ZINC000392370905 711144700 /nfs/dbraw/zinc/14/47/00/711144700.db2.gz LGKSHBYDPJSUPE-VIFPVBQESA-N 0 3 246.314 1.978 20 10 BDCDHN Cc1nc([C@H](C)NCc2cccc(C)c2O)n[nH]1 ZINC000392361925 711144801 /nfs/dbraw/zinc/14/48/01/711144801.db2.gz CCYCOCHYUAFRDC-VIFPVBQESA-N 0 3 246.314 1.978 20 10 BDCDHN CN1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000040671550 711483201 /nfs/dbraw/zinc/48/32/01/711483201.db2.gz DGDKNNRCKAKOPE-ZDUSSCGKSA-N 0 3 247.342 1.022 20 10 BDCDHN C[C@@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CCN1C ZINC000090721237 711503208 /nfs/dbraw/zinc/50/32/08/711503208.db2.gz ULPUYZMYDUJNPC-DGCLKSJQSA-N 0 3 234.343 1.965 20 10 BDCDHN CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000382449045 711505043 /nfs/dbraw/zinc/50/50/43/711505043.db2.gz HPNOKGNRLCONMW-QWRGUYRKSA-N 0 3 239.315 1.440 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCOCCF ZINC000702637559 712057918 /nfs/dbraw/zinc/05/79/18/712057918.db2.gz GHZHCSUMMSJBCC-UHFFFAOYSA-N 0 3 231.242 1.607 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCSC ZINC000380243948 712843239 /nfs/dbraw/zinc/84/32/39/712843239.db2.gz NTZPWDJASIRCSJ-UHFFFAOYSA-N 0 3 227.329 1.853 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1C[C@H](O)C1)CC2 ZINC000720935796 712880151 /nfs/dbraw/zinc/88/01/51/712880151.db2.gz IMZKOUDRTPHHKO-YUSALJHKSA-N 0 3 233.311 1.740 20 10 BDCDHN CCN(Cc1cc(C)ccc1O)C1CN(C)C1 ZINC001140623818 960465758 /nfs/dbraw/zinc/46/57/58/960465758.db2.gz SVVUPSDZYQQAON-UHFFFAOYSA-N 0 3 234.343 1.837 20 10 BDCDHN CC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001251780593 968325079 /nfs/dbraw/zinc/32/50/79/968325079.db2.gz QXEZHTMRPKKVBD-LLVKDONJSA-N 0 3 221.300 1.521 20 10 BDCDHN CC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001251780593 968325089 /nfs/dbraw/zinc/32/50/89/968325089.db2.gz QXEZHTMRPKKVBD-LLVKDONJSA-N 0 3 221.300 1.521 20 10 BDCDHN CCNC(=O)C(C)(C)NCc1ccc(N)cc1 ZINC001356083073 983567739 /nfs/dbraw/zinc/56/77/39/983567739.db2.gz JHBLCPLMKPKIPI-UHFFFAOYSA-N 0 3 235.331 1.273 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000877607924 983955489 /nfs/dbraw/zinc/95/54/89/983955489.db2.gz OBFIIFDQGUOLJU-GHMZBOCLSA-N 0 3 221.300 1.968 20 10 BDCDHN C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccccc1[O-] ZINC000305748068 970785903 /nfs/dbraw/zinc/78/59/03/970785903.db2.gz UKYKTTQYKFSUHN-NWDGAFQWSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1CC[C@@H](CO)C[N@H+]1Cc1ccccc1[O-] ZINC000305748068 970785914 /nfs/dbraw/zinc/78/59/14/970785914.db2.gz UKYKTTQYKFSUHN-NWDGAFQWSA-N 0 3 235.327 1.985 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000315809645 972249295 /nfs/dbraw/zinc/24/92/95/972249295.db2.gz XKCWAUGVBWXAIB-CYBMUJFWSA-N 0 3 239.290 1.782 20 10 BDCDHN Cc1ccc(O)c(CN2CC3(COC3)C2)c1 ZINC001140617669 960461400 /nfs/dbraw/zinc/46/14/00/960461400.db2.gz VULDPENSVJCDDZ-UHFFFAOYSA-N 0 3 219.284 1.533 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001140950831 960753654 /nfs/dbraw/zinc/75/36/54/960753654.db2.gz KDOOCKQETWVRIG-GXTWGEPZSA-N 0 3 233.311 1.921 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001140950831 960753659 /nfs/dbraw/zinc/75/36/59/960753659.db2.gz KDOOCKQETWVRIG-GXTWGEPZSA-N 0 3 233.311 1.921 20 10 BDCDHN Oc1ccc(O)c(CN2CC3(C2)CCCOC3)c1 ZINC001141156110 960889779 /nfs/dbraw/zinc/88/97/79/960889779.db2.gz FUZZQNKVNAPDFS-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001203550177 966670695 /nfs/dbraw/zinc/67/06/95/966670695.db2.gz KKYUKIYQHCOWJI-CMPLNLGQSA-N 0 3 225.263 1.297 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](F)[C@H](O)C1 ZINC001203550177 966670707 /nfs/dbraw/zinc/67/07/07/966670707.db2.gz KKYUKIYQHCOWJI-CMPLNLGQSA-N 0 3 225.263 1.297 20 10 BDCDHN CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203560635 966686616 /nfs/dbraw/zinc/68/66/16/966686616.db2.gz DUXIQCDTPYSOIO-ZDUSSCGKSA-N 0 3 248.326 1.445 20 10 BDCDHN CC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203560635 966686626 /nfs/dbraw/zinc/68/66/26/966686626.db2.gz DUXIQCDTPYSOIO-ZDUSSCGKSA-N 0 3 248.326 1.445 20 10 BDCDHN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1[O-] ZINC001203555643 966687956 /nfs/dbraw/zinc/68/79/56/966687956.db2.gz BAJYOUNHMYYOHO-CMPLNLGQSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@H]1C[C@H](O)CC[N@H+]1Cc1ccccc1[O-] ZINC001203555643 966687959 /nfs/dbraw/zinc/68/79/59/966687959.db2.gz BAJYOUNHMYYOHO-CMPLNLGQSA-N 0 3 221.300 1.737 20 10 BDCDHN COC(=O)CCN(C)Cc1ccc(O)c(O)c1 ZINC001203881920 966809066 /nfs/dbraw/zinc/80/90/66/966809066.db2.gz YEIIHIGBNBUJRZ-UHFFFAOYSA-N 0 3 239.271 1.093 20 10 BDCDHN CN(Cc1ccc(O)c(O)c1)[C@@H]1CCCOC1 ZINC001203883351 966810138 /nfs/dbraw/zinc/81/01/38/966810138.db2.gz ITAZVBBHQJMKIB-LLVKDONJSA-N 0 3 237.299 1.709 20 10 BDCDHN CN(C)c1ccc(CN2CC3(CN(C)C3)C2)cc1 ZINC001203935329 966824953 /nfs/dbraw/zinc/82/49/53/966824953.db2.gz DVMJVFOWDXQFIC-UHFFFAOYSA-N 0 3 245.370 1.500 20 10 BDCDHN Oc1ccc(CN2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001204272009 966949995 /nfs/dbraw/zinc/94/99/95/966949995.db2.gz GQAZKYLDDPTKAV-JQWIXIFHSA-N 0 3 241.262 1.003 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC2(COC2)C1 ZINC001204275864 966952211 /nfs/dbraw/zinc/95/22/11/966952211.db2.gz CYIGTXGAQOUFJI-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC2(COC2)C1 ZINC001204275864 966952218 /nfs/dbraw/zinc/95/22/18/966952218.db2.gz CYIGTXGAQOUFJI-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN CCC[N@H+](CCOC)Cc1ccc(O)cc1[O-] ZINC001204272037 966953219 /nfs/dbraw/zinc/95/32/19/966953219.db2.gz IFMAOXVTLKDUAC-UHFFFAOYSA-N 0 3 239.315 1.956 20 10 BDCDHN CCC[N@@H+](CCOC)Cc1ccc(O)cc1[O-] ZINC001204272037 966953229 /nfs/dbraw/zinc/95/32/29/966953229.db2.gz IFMAOXVTLKDUAC-UHFFFAOYSA-N 0 3 239.315 1.956 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC[C@H]1O ZINC001204276095 966954308 /nfs/dbraw/zinc/95/43/08/966954308.db2.gz GLLFPMKIAKDNBR-BXKDBHETSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC[C@H]1O ZINC001204276095 966954322 /nfs/dbraw/zinc/95/43/22/966954322.db2.gz GLLFPMKIAKDNBR-BXKDBHETSA-N 0 3 237.299 1.301 20 10 BDCDHN COCC[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204273006 966955412 /nfs/dbraw/zinc/95/54/12/966955412.db2.gz WBYZCOVQTGIMDZ-UHFFFAOYSA-N 0 3 211.261 1.176 20 10 BDCDHN COCC[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204273006 966955419 /nfs/dbraw/zinc/95/54/19/966955419.db2.gz WBYZCOVQTGIMDZ-UHFFFAOYSA-N 0 3 211.261 1.176 20 10 BDCDHN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204277224 966959389 /nfs/dbraw/zinc/95/93/89/966959389.db2.gz WTKUUFNAVSHNKK-BXKDBHETSA-N 0 3 237.299 1.443 20 10 BDCDHN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204277224 966959393 /nfs/dbraw/zinc/95/93/93/966959393.db2.gz WTKUUFNAVSHNKK-BXKDBHETSA-N 0 3 237.299 1.443 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@]2(CCCO2)C1 ZINC001204277014 966961665 /nfs/dbraw/zinc/96/16/65/966961665.db2.gz VYTRHIIBDQWISR-AWEZNQCLSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@]2(CCCO2)C1 ZINC001204277014 966961668 /nfs/dbraw/zinc/96/16/68/966961668.db2.gz VYTRHIIBDQWISR-AWEZNQCLSA-N 0 3 249.310 1.853 20 10 BDCDHN CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001169573057 969769606 /nfs/dbraw/zinc/76/96/06/969769606.db2.gz AQSBOSPXLKETDP-CYBMUJFWSA-N 0 3 248.326 1.493 20 10 BDCDHN COc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)c([O-])c1 ZINC000402008145 970754417 /nfs/dbraw/zinc/75/44/17/970754417.db2.gz AHVRCDDEPMPJDJ-KOLCDFICSA-N 0 3 237.299 1.668 20 10 BDCDHN CN(CCF)Cc1c(O)cc(O)cc1O ZINC001144520592 972855154 /nfs/dbraw/zinc/85/51/54/972855154.db2.gz VNOKTIVLMMQPOQ-UHFFFAOYSA-N 0 3 215.224 1.205 20 10 BDCDHN CCN1CC[C@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC001172023125 974281991 /nfs/dbraw/zinc/28/19/91/974281991.db2.gz LHVQWYHJMOYZIN-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c([O-])c1 ZINC001277567968 977748922 /nfs/dbraw/zinc/74/89/22/977748922.db2.gz JHLYZPBNDVENFJ-BXUZGUMPSA-N 0 3 246.310 1.008 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c([O-])c1 ZINC001277567968 977748933 /nfs/dbraw/zinc/74/89/33/977748933.db2.gz JHLYZPBNDVENFJ-BXUZGUMPSA-N 0 3 246.310 1.008 20 10 BDCDHN CN(C)c1ccc(CN2CC3(COC3)C2)c(O)c1 ZINC001232835217 978303725 /nfs/dbraw/zinc/30/37/25/978303725.db2.gz ZQNGRGYYATUBFX-UHFFFAOYSA-N 0 3 248.326 1.290 20 10 BDCDHN CC(C)N(C)Cc1cc(O)c(O)c(O)c1 ZINC001233010359 978409154 /nfs/dbraw/zinc/40/91/54/978409154.db2.gz PVAOJNMURPCBNH-UHFFFAOYSA-N 0 3 211.261 1.644 20 10 BDCDHN [NH3+][C@H]1C[C@H](F)CN(Cc2cc(F)ccc2[O-])C1 ZINC001206424682 978913451 /nfs/dbraw/zinc/91/34/51/978913451.db2.gz RPCBHZSMJAWIKC-QWRGUYRKSA-N 0 3 242.269 1.402 20 10 BDCDHN CC(C)[NH2+]CC(=O)NCc1c([O-])cccc1F ZINC001341125790 979246911 /nfs/dbraw/zinc/24/69/11/979246911.db2.gz WMDWVVOSTOTBDZ-UHFFFAOYSA-N 0 3 240.278 1.146 20 10 BDCDHN [NH3+][C@]12C[C@H]1CN(Cc1cc(F)ccc1[O-])C2 ZINC001236022311 979315458 /nfs/dbraw/zinc/31/54/58/979315458.db2.gz CZODEMXFSBRHPH-CABZTGNLSA-N 0 3 222.263 1.064 20 10 BDCDHN Cc1cccc(O)c1CN1C[C@H](F)C[C@H]1CO ZINC001237483686 979910291 /nfs/dbraw/zinc/91/02/91/979910291.db2.gz QXEOTYRKKWKBAG-MNOVXSKESA-N 0 3 239.290 1.605 20 10 BDCDHN C[C@@H]([NH2+]CC1=NOCC1)c1ccccc1[O-] ZINC001197004452 982507711 /nfs/dbraw/zinc/50/77/11/982507711.db2.gz SCDYXUPGVVUKIZ-SECBINFHSA-N 0 3 220.272 1.819 20 10 BDCDHN C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001462248664 986323381 /nfs/dbraw/zinc/32/33/81/986323381.db2.gz KACWMQZYYDWHRY-KWQFWETISA-N 0 3 225.263 1.486 20 10 BDCDHN C[C@H]1[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001462248664 986323402 /nfs/dbraw/zinc/32/34/02/986323402.db2.gz KACWMQZYYDWHRY-KWQFWETISA-N 0 3 225.263 1.486 20 10 BDCDHN COC[C@H](C)[N@@H+]1CCc2cccc([O-])c2C1 ZINC001255582143 987031009 /nfs/dbraw/zinc/03/10/09/987031009.db2.gz RRAUSYLEJGIUSA-JTQLQIEISA-N 0 3 221.300 1.785 20 10 BDCDHN COC[C@H](C)[N@H+]1CCc2cccc([O-])c2C1 ZINC001255582143 987031020 /nfs/dbraw/zinc/03/10/20/987031020.db2.gz RRAUSYLEJGIUSA-JTQLQIEISA-N 0 3 221.300 1.785 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c([O-])c1 ZINC001474655066 987793473 /nfs/dbraw/zinc/79/34/73/987793473.db2.gz FKEGYFYSZZKYBS-RYUDHWBXSA-N 0 3 247.294 1.305 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c([O-])c1 ZINC001474655066 987793478 /nfs/dbraw/zinc/79/34/78/987793478.db2.gz FKEGYFYSZZKYBS-RYUDHWBXSA-N 0 3 247.294 1.305 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c([O-])c1 ZINC001474708109 987804463 /nfs/dbraw/zinc/80/44/63/987804463.db2.gz BNUHBMHTIXSZJB-KWCYVHTRSA-N 0 3 247.338 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c([O-])c1 ZINC001474708109 987804466 /nfs/dbraw/zinc/80/44/66/987804466.db2.gz BNUHBMHTIXSZJB-KWCYVHTRSA-N 0 3 247.338 1.903 20 10 BDCDHN COC(=O)Cc1ccc(C[NH+]2CC=CC2)c([O-])c1 ZINC001249172224 989263894 /nfs/dbraw/zinc/26/38/94/989263894.db2.gz JTBRZXUTSJKELI-UHFFFAOYSA-N 0 3 247.294 1.480 20 10 BDCDHN c1cc(N2CCOCC2)ccc1CN1CCC1 ZINC001138495130 990964455 /nfs/dbraw/zinc/96/44/55/990964455.db2.gz SJYISLZSCHZBRO-UHFFFAOYSA-N 0 3 232.327 1.729 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1COC1 ZINC001140055382 991506056 /nfs/dbraw/zinc/50/60/56/991506056.db2.gz UGQKFUMLMXVDFC-UHFFFAOYSA-N 0 3 225.263 1.610 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1COC1 ZINC001140055382 991506064 /nfs/dbraw/zinc/50/60/64/991506064.db2.gz UGQKFUMLMXVDFC-UHFFFAOYSA-N 0 3 225.263 1.610 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001140057210 991510681 /nfs/dbraw/zinc/51/06/81/991510681.db2.gz CYYAJDICLZMSDH-GFCCVEGCSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001140057210 991510690 /nfs/dbraw/zinc/51/06/90/991510690.db2.gz CYYAJDICLZMSDH-GFCCVEGCSA-N 0 3 239.290 1.878 20 10 BDCDHN COc1cc(C)c(C[N@H+](C)C[C@H](C)O)c([O-])c1 ZINC001560746466 991585845 /nfs/dbraw/zinc/58/58/45/991585845.db2.gz AGNGFQOEHCLIFN-JTQLQIEISA-N 0 3 239.315 1.522 20 10 BDCDHN COc1cc(C)c(C[N@@H+](C)C[C@H](C)O)c([O-])c1 ZINC001560746466 991585859 /nfs/dbraw/zinc/58/58/59/991585859.db2.gz AGNGFQOEHCLIFN-JTQLQIEISA-N 0 3 239.315 1.522 20 10 BDCDHN CON(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC001560989755 991679478 /nfs/dbraw/zinc/67/94/78/991679478.db2.gz CWNYLFPUEJYYKK-UHFFFAOYSA-N 0 3 228.267 1.114 20 10 BDCDHN CCN1CC[C@@H]([NH2+]Cc2ccc(O)cc2[O-])C1 ZINC000389187999 993742000 /nfs/dbraw/zinc/74/20/00/993742000.db2.gz SZODQOWCYNZGPP-LLVKDONJSA-N 0 3 236.315 1.282 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H](O)C2)cc1C ZINC000298575202 178195102 /nfs/dbraw/zinc/19/51/02/178195102.db2.gz BIZGSSQISWBELX-ZDUSSCGKSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H](O)C2)cc1C ZINC000298575202 178195104 /nfs/dbraw/zinc/19/51/04/178195104.db2.gz BIZGSSQISWBELX-ZDUSSCGKSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000128157023 178195492 /nfs/dbraw/zinc/19/54/92/178195492.db2.gz KFFUYWYGXXVWIX-LBPRGKRZSA-N 0 3 221.300 1.576 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@H](O)C2)cc1C ZINC000128157023 178195494 /nfs/dbraw/zinc/19/54/94/178195494.db2.gz KFFUYWYGXXVWIX-LBPRGKRZSA-N 0 3 221.300 1.576 20 10 BDCDHN Cc1cc(O)c(CN[C@H]2CCCNC2=O)cc1C ZINC000295001842 178197200 /nfs/dbraw/zinc/19/72/00/178197200.db2.gz IMLVYHBBOGRVFZ-LBPRGKRZSA-N 0 3 248.326 1.377 20 10 BDCDHN Cc1nccn1CC[NH2+]Cc1ccccc1[O-] ZINC000134231894 398242315 /nfs/dbraw/zinc/24/23/15/398242315.db2.gz XTQKAOBCFUWZHQ-UHFFFAOYSA-N 0 3 231.299 1.687 20 10 BDCDHN Cc1ccc(O)c(CN2CCNC(=O)CC2)c1 ZINC000093101872 398308602 /nfs/dbraw/zinc/30/86/02/398308602.db2.gz CILWTNMLYVSUER-UHFFFAOYSA-N 0 3 234.299 1.023 20 10 BDCDHN C[C@H](CO)NCc1ccc2c(c1)CCO2 ZINC000037363052 343343901 /nfs/dbraw/zinc/34/39/01/343343901.db2.gz ZPBWOKDMTZENQZ-SECBINFHSA-N 0 3 207.273 1.092 20 10 BDCDHN COC[C@H](C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000045656415 343532109 /nfs/dbraw/zinc/53/21/09/343532109.db2.gz GDDQTNNJJKFEHD-SNVBAGLBSA-N 0 3 239.315 1.773 20 10 BDCDHN Cc1ccc([O-])c2c1[C@@H](C)C[C@H]2[NH2+]CCO ZINC000020596942 178805195 /nfs/dbraw/zinc/80/51/95/178805195.db2.gz HWDQENKAAFHSPS-VHSXEESVSA-N 0 3 221.300 1.831 20 10 BDCDHN CCN1CCN(Cc2cc(F)ccc2O)CC1 ZINC000138236110 345760660 /nfs/dbraw/zinc/76/06/60/345760660.db2.gz OYNGSISGRNZMAX-UHFFFAOYSA-N 0 3 238.306 1.669 20 10 BDCDHN Cc1cccc(C[N@H+]2CCCN(C)CC2)c1[O-] ZINC000124495069 179073847 /nfs/dbraw/zinc/07/38/47/179073847.db2.gz LWUHOMKXPZVNPV-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCCN(C)CC2)c1[O-] ZINC000124495069 179073850 /nfs/dbraw/zinc/07/38/50/179073850.db2.gz LWUHOMKXPZVNPV-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000183449127 179079808 /nfs/dbraw/zinc/07/98/08/179079808.db2.gz RFOKZHIYMFVEDY-LLVKDONJSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1[O-] ZINC000183449127 179079811 /nfs/dbraw/zinc/07/98/11/179079811.db2.gz RFOKZHIYMFVEDY-LLVKDONJSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1cccc(C[NH2+]CCC[C@H](C)O)c1[O-] ZINC000228090923 179091611 /nfs/dbraw/zinc/09/16/11/179091611.db2.gz RTQSIZVSWHYOMB-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H](C)CO)c1[O-] ZINC000162829769 179092753 /nfs/dbraw/zinc/09/27/53/179092753.db2.gz HEWPCXKWFZRPJG-SECBINFHSA-N 0 3 209.289 1.419 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1[O-] ZINC000187987313 179093514 /nfs/dbraw/zinc/09/35/14/179093514.db2.gz BVFAMUXVBMKLCW-YPMHNXCESA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc(C[NH2+][C@H](CO)C(C)C)c1[O-] ZINC000038313321 179101331 /nfs/dbraw/zinc/10/13/31/179101331.db2.gz ZIHDWYABJPAAIO-GFCCVEGCSA-N 0 3 223.316 1.807 20 10 BDCDHN CC(C)(O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297880742 188283647 /nfs/dbraw/zinc/28/36/47/188283647.db2.gz VBZHQOMRGPWBKQ-SNVBAGLBSA-N 0 3 221.300 1.740 20 10 BDCDHN C[C@@H]([NH2+]CCn1ccnc1)c1ccccc1[O-] ZINC000041119234 188292770 /nfs/dbraw/zinc/29/27/70/188292770.db2.gz HZFUMHDAWLPZMN-LLVKDONJSA-N 0 3 231.299 1.940 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000183244129 183117192 /nfs/dbraw/zinc/11/71/92/183117192.db2.gz CGXZDIJNOKCLCH-SNVBAGLBSA-N 0 3 239.290 1.736 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000183244129 183117195 /nfs/dbraw/zinc/11/71/95/183117195.db2.gz CGXZDIJNOKCLCH-SNVBAGLBSA-N 0 3 239.290 1.736 20 10 BDCDHN C[C@H](NCc1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000035140754 383833681 /nfs/dbraw/zinc/83/36/81/383833681.db2.gz XOAJIJXDCRMNOB-NSHDSACASA-N 0 3 249.358 1.319 20 10 BDCDHN CC(C)[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823738 384026171 /nfs/dbraw/zinc/02/61/71/384026171.db2.gz UFHNDKUQXBQRKJ-GFCCVEGCSA-N 0 3 236.315 1.334 20 10 BDCDHN C[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)C ZINC000038088821 384067516 /nfs/dbraw/zinc/06/75/16/384067516.db2.gz MDKUBGOFDWNOJN-MNOVXSKESA-N 0 3 222.332 1.993 20 10 BDCDHN COC[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1[O-] ZINC000071265161 384156924 /nfs/dbraw/zinc/15/69/24/384156924.db2.gz LBIKVFCCIAOASP-QWRGUYRKSA-N 0 3 239.315 1.359 20 10 BDCDHN CC[C@@H]([NH2+]C[C@@H](O)COC)c1ccccc1[O-] ZINC000071269705 384159608 /nfs/dbraw/zinc/15/96/08/384159608.db2.gz CBJJIYBUZVNTMR-ZYHUDNBSSA-N 0 3 239.315 1.440 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000092471014 384181671 /nfs/dbraw/zinc/18/16/71/384181671.db2.gz KQFIHBQRNFMOGI-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000092471014 384181674 /nfs/dbraw/zinc/18/16/74/384181674.db2.gz KQFIHBQRNFMOGI-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN CC[C@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000082506003 384230463 /nfs/dbraw/zinc/23/04/63/384230463.db2.gz MXLXQOKLFZVNPN-LBPRGKRZSA-N 0 3 209.289 1.643 20 10 BDCDHN COC[C@@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000133141460 384273750 /nfs/dbraw/zinc/27/37/50/384273750.db2.gz IGVWSLUFJWDLJM-GFCCVEGCSA-N 0 3 221.300 1.907 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000125739459 384746226 /nfs/dbraw/zinc/74/62/26/384746226.db2.gz FMOWYZNUCORAEH-WDEREUQCSA-N 0 3 223.316 1.807 20 10 BDCDHN CCN(CC)c1ccc(CNC(=O)CN)cc1 ZINC000083362621 384764950 /nfs/dbraw/zinc/76/49/50/384764950.db2.gz XVMJLOBUMGTPOM-UHFFFAOYSA-N 0 3 235.331 1.108 20 10 BDCDHN CC[C@](C)(CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000163728069 384851428 /nfs/dbraw/zinc/85/14/28/384851428.db2.gz LVRUOJSRFUPAPZ-CYBMUJFWSA-N 0 3 223.316 1.951 20 10 BDCDHN CC(C)[N@H+](CCO)Cc1ccccc1[O-] ZINC000128549990 384952229 /nfs/dbraw/zinc/95/22/29/384952229.db2.gz BGRQZRXGXOWAEO-UHFFFAOYSA-N 0 3 209.289 1.595 20 10 BDCDHN CC(C)[N@@H+](CCO)Cc1ccccc1[O-] ZINC000128549990 384952231 /nfs/dbraw/zinc/95/22/31/384952231.db2.gz BGRQZRXGXOWAEO-UHFFFAOYSA-N 0 3 209.289 1.595 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1 ZINC000128113103 384996704 /nfs/dbraw/zinc/99/67/04/384996704.db2.gz FVGLOUWQJLPNTB-QWHCGFSZSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CN(C)C)c1 ZINC000130318820 385237756 /nfs/dbraw/zinc/23/77/56/385237756.db2.gz HOXVYAVUQHOXJN-NSHDSACASA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193692260 385408827 /nfs/dbraw/zinc/40/88/27/385408827.db2.gz UIIMQPUZGSFFKD-GXFFZTMASA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1ccc(O)c(CN[C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193692260 385408829 /nfs/dbraw/zinc/40/88/29/385408829.db2.gz UIIMQPUZGSFFKD-GXFFZTMASA-N 0 3 248.326 1.315 20 10 BDCDHN CO[C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000271181775 385801567 /nfs/dbraw/zinc/80/15/67/385801567.db2.gz LNESRFGQUBROBK-AWEZNQCLSA-N 0 3 234.343 1.973 20 10 BDCDHN CC(C)[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000123922727 385946768 /nfs/dbraw/zinc/94/67/68/385946768.db2.gz VSPGAJVZUBTMOC-LBPRGKRZSA-N 0 3 209.289 1.499 20 10 BDCDHN C[C@H](CC(N)=O)NCc1ccc(N(C)C)cc1 ZINC000122783871 386518989 /nfs/dbraw/zinc/51/89/89/386518989.db2.gz XFCSOBBTVUPZIU-SNVBAGLBSA-N 0 3 235.331 1.106 20 10 BDCDHN C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000227976239 386526179 /nfs/dbraw/zinc/52/61/79/386526179.db2.gz GVMJINDZUHHTOR-MFKMUULPSA-N 0 3 237.299 1.022 20 10 BDCDHN C[C@@H](O)CCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000228091006 386541779 /nfs/dbraw/zinc/54/17/79/386541779.db2.gz QBXCGFUFXXHHNO-SECBINFHSA-N 0 3 227.279 1.782 20 10 BDCDHN Cc1ccc([C@H](C)NCc2cnnn2C)c(O)c1 ZINC000287467598 387446251 /nfs/dbraw/zinc/44/62/51/387446251.db2.gz WCWUVCXMSZZQQG-JTQLQIEISA-N 0 3 246.314 1.680 20 10 BDCDHN Cc1ccc(O)c([C@H](C)NCc2cnnn2C)c1 ZINC000287278491 387401937 /nfs/dbraw/zinc/40/19/37/387401937.db2.gz JMKOKWGKZMXXNU-JTQLQIEISA-N 0 3 246.314 1.680 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC2COC2)c1 ZINC000528023450 387829063 /nfs/dbraw/zinc/82/90/63/387829063.db2.gz DHPUXESYHZUPIT-SECBINFHSA-N 0 3 237.299 1.698 20 10 BDCDHN CCN(C)C(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296418646 388422862 /nfs/dbraw/zinc/42/28/62/388422862.db2.gz LIHCTINGXZOHQK-LLVKDONJSA-N 0 3 248.326 1.447 20 10 BDCDHN CSC[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000164251477 397792525 /nfs/dbraw/zinc/79/25/25/397792525.db2.gz YFHDZERKQZBVSB-LBPRGKRZSA-N 0 3 241.356 1.596 20 10 BDCDHN CC[C@@](C)(CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000163727965 171171498 /nfs/dbraw/zinc/17/14/98/171171498.db2.gz LVRUOJSRFUPAPZ-ZDUSSCGKSA-N 0 3 223.316 1.951 20 10 BDCDHN COCCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000127126960 174280994 /nfs/dbraw/zinc/28/09/94/174280994.db2.gz FUDVSNQPCDPROJ-UHFFFAOYSA-N 0 3 240.322 1.970 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)[C@H](C)CO)c1 ZINC000289458011 175158029 /nfs/dbraw/zinc/15/80/29/175158029.db2.gz OCCWTBIWFOASJU-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)[C@H](C)CO)c1 ZINC000289458011 175158031 /nfs/dbraw/zinc/15/80/31/175158031.db2.gz OCCWTBIWFOASJU-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000103960260 175158990 /nfs/dbraw/zinc/15/89/90/175158990.db2.gz MKXYBDJHMZQYRY-LLVKDONJSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000134236720 175159535 /nfs/dbraw/zinc/15/95/35/175159535.db2.gz MKZPQFMIXJHXTD-JOYOIKCWSA-N 0 3 237.299 1.668 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)C(C)C)c1 ZINC000164696528 175159578 /nfs/dbraw/zinc/15/95/78/175159578.db2.gz LZQOXKWXVRTJAS-CYBMUJFWSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC(C)(C)O)c1 ZINC000087010662 175160019 /nfs/dbraw/zinc/16/00/19/175160019.db2.gz YEPNRIIUGFSTMT-SECBINFHSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000035601840 175160775 /nfs/dbraw/zinc/16/07/75/175160775.db2.gz UVAXSFWALKDRRH-RKDXNWHRSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1cccc(C[N@H+](C)CCCO)c1[O-] ZINC000281670584 175256082 /nfs/dbraw/zinc/25/60/82/175256082.db2.gz DHGNLJVVNDIYAC-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COc1cccc(C[N@@H+](C)CCCO)c1[O-] ZINC000281670584 175256085 /nfs/dbraw/zinc/25/60/85/175256085.db2.gz DHGNLJVVNDIYAC-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COc1cccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1[O-] ZINC000189106814 175265248 /nfs/dbraw/zinc/26/52/48/175265248.db2.gz HKNJXTOKHNKFBH-VHSXEESVSA-N 0 3 239.315 1.914 20 10 BDCDHN C[C@]1([NH2+]Cc2ccccc2[O-])CCOC1 ZINC000120127191 177470524 /nfs/dbraw/zinc/47/05/24/177470524.db2.gz RJFVTHSSYYIZLO-LBPRGKRZSA-N 0 3 207.273 1.661 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CC2COC2)c1 ZINC000528027360 262903277 /nfs/dbraw/zinc/90/32/77/262903277.db2.gz SEOMGIKZVYZELS-SNVBAGLBSA-N 0 3 221.300 1.998 20 10 BDCDHN [O-]c1ccccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530176747 324508042 /nfs/dbraw/zinc/50/80/42/324508042.db2.gz LKBCUMBYYHKLLI-ZDUSSCGKSA-N 0 3 232.327 1.766 20 10 BDCDHN CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2[O-])C1 ZINC000857083880 588886429 /nfs/dbraw/zinc/88/64/29/588886429.db2.gz AHIMATTVFKNJIW-CMPLNLGQSA-N 0 3 248.326 1.664 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000877468776 583316703 /nfs/dbraw/zinc/31/67/03/583316703.db2.gz MPXKOIGQVHSBHJ-VXGBXAGGSA-N 0 3 235.327 1.951 20 10 BDCDHN COc1ccc(CNCCF)c(O)c1OC ZINC000894218055 583381086 /nfs/dbraw/zinc/38/10/86/583381086.db2.gz FWYSKFQFRCZMRK-UHFFFAOYSA-N 0 3 229.251 1.469 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897678369 584035812 /nfs/dbraw/zinc/03/58/12/584035812.db2.gz ASNUPLVHCVFXPY-GXFFZTMASA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000897678369 584035814 /nfs/dbraw/zinc/03/58/14/584035814.db2.gz ASNUPLVHCVFXPY-GXFFZTMASA-N 0 3 221.300 1.513 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897681364 584038918 /nfs/dbraw/zinc/03/89/18/584038918.db2.gz SQYCQZDEEOPFET-NOZJJQNGSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897681364 584038920 /nfs/dbraw/zinc/03/89/20/584038920.db2.gz SQYCQZDEEOPFET-NOZJJQNGSA-N 0 3 237.299 1.213 20 10 BDCDHN CN(C)c1ccc(CN[C@]2(C)CCNC2=O)cc1 ZINC000897874421 584056675 /nfs/dbraw/zinc/05/66/75/584056675.db2.gz WZDRTDLKGUEJPY-CQSZACIVSA-N 0 3 247.342 1.121 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898204101 584090910 /nfs/dbraw/zinc/09/09/10/584090910.db2.gz OBGNLPWPBDUVMZ-CYBMUJFWSA-N 0 3 239.290 1.782 20 10 BDCDHN NC1(C[NH2+][C@H]2CCc3cccc([O-])c32)CC1 ZINC000902406530 584574376 /nfs/dbraw/zinc/57/43/76/584574376.db2.gz NKMBQZOPWHPIGC-JTQLQIEISA-N 0 3 218.300 1.460 20 10 BDCDHN [O-]c1cccc2c1[C@@H](N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902459102 584610732 /nfs/dbraw/zinc/61/07/32/584610732.db2.gz BDSZAGCCZUPYDC-QNWHQSFQSA-N 0 3 244.338 1.862 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000877071510 584889727 /nfs/dbraw/zinc/88/97/27/584889727.db2.gz PWYXQFFJDWSXRC-YPMHNXCESA-N 0 3 235.327 1.951 20 10 BDCDHN C[C@@H](CNC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000732268171 584935147 /nfs/dbraw/zinc/93/51/47/584935147.db2.gz DAQDTXAKIUHJCU-ZETCQYMHSA-N 0 3 228.317 1.134 20 10 BDCDHN C[C@@H](CNC(=O)C1=CC(=O)CS1)N(C)C ZINC000732268171 584935148 /nfs/dbraw/zinc/93/51/48/584935148.db2.gz DAQDTXAKIUHJCU-ZETCQYMHSA-N 0 3 228.317 1.134 20 10 BDCDHN C[C@H](CN)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817966089 584992849 /nfs/dbraw/zinc/99/28/49/584992849.db2.gz GFAGOWMBBNIUMJ-SCZZXKLOSA-N 0 3 206.289 1.316 20 10 BDCDHN CC[C@@H]([NH2+][C@@H](C)CN)c1ccccc1[O-] ZINC000817970115 584993414 /nfs/dbraw/zinc/99/34/14/584993414.db2.gz LUGZHJJYHNTOLY-GXSJLCMTSA-N 0 3 208.305 1.780 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2CCCNC2=O)c1[O-] ZINC000839196146 585098846 /nfs/dbraw/zinc/09/88/46/585098846.db2.gz SBGGEMQGCIFMSM-GFCCVEGCSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@H](C)CC(N)=O)cc1C ZINC000746474460 585168171 /nfs/dbraw/zinc/16/81/71/585168171.db2.gz CQUXXETXBDXTJC-SNVBAGLBSA-N 0 3 236.315 1.363 20 10 BDCDHN COc1ccc(O)c(CN(C)C2CC(O)C2)c1 ZINC000761222195 585412434 /nfs/dbraw/zinc/41/24/34/585412434.db2.gz IUSDZLWIHYGCAO-UHFFFAOYSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)C2CC(O)C2)c1 ZINC000761222195 585412435 /nfs/dbraw/zinc/41/24/35/585412435.db2.gz IUSDZLWIHYGCAO-UHFFFAOYSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)C2CC(O)C2)c1 ZINC000761222195 585412436 /nfs/dbraw/zinc/41/24/36/585412436.db2.gz IUSDZLWIHYGCAO-UHFFFAOYSA-N 0 3 237.299 1.356 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C1CC(O)C1 ZINC000761222480 585412537 /nfs/dbraw/zinc/41/25/37/585412537.db2.gz JJJSEXNXPHJFNH-UHFFFAOYSA-N 0 3 207.273 1.347 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C1CC(O)C1 ZINC000761222480 585412538 /nfs/dbraw/zinc/41/25/38/585412538.db2.gz JJJSEXNXPHJFNH-UHFFFAOYSA-N 0 3 207.273 1.347 20 10 BDCDHN CC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779217793 585747385 /nfs/dbraw/zinc/74/73/85/585747385.db2.gz BPIQVUNCEZLQAY-ZDUSSCGKSA-N 0 3 239.290 1.878 20 10 BDCDHN CC[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000779217793 585747386 /nfs/dbraw/zinc/74/73/86/585747386.db2.gz BPIQVUNCEZLQAY-ZDUSSCGKSA-N 0 3 239.290 1.878 20 10 BDCDHN CCOc1ccc(C[NH2+]C[C@@H](C)OC)c([O-])c1 ZINC000785560255 585875427 /nfs/dbraw/zinc/87/54/27/585875427.db2.gz QBEGPQFHXFJUIE-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CCN1C ZINC000785765148 585880230 /nfs/dbraw/zinc/88/02/30/585880230.db2.gz DGHNZUUMLUZLEV-CYBMUJFWSA-N 0 3 247.386 1.889 20 10 BDCDHN C[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000788435848 585923307 /nfs/dbraw/zinc/92/33/07/585923307.db2.gz NNQICOACMHOXLY-ZDUSSCGKSA-N 0 3 221.300 1.739 20 10 BDCDHN C[C@@]1(CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000788435848 585923308 /nfs/dbraw/zinc/92/33/08/585923308.db2.gz NNQICOACMHOXLY-ZDUSSCGKSA-N 0 3 221.300 1.739 20 10 BDCDHN Cc1nccnc1CC[NH2+]Cc1ccccc1[O-] ZINC000815153390 586670193 /nfs/dbraw/zinc/67/01/93/586670193.db2.gz PCGOBHXWVWAFCJ-UHFFFAOYSA-N 0 3 243.310 1.823 20 10 BDCDHN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccccc1[O-] ZINC000817414823 586802492 /nfs/dbraw/zinc/80/24/92/586802492.db2.gz OTSBIVXHXFPPIH-PWSUYJOCSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccccc1[O-] ZINC000817414823 586802493 /nfs/dbraw/zinc/80/24/93/586802493.db2.gz OTSBIVXHXFPPIH-PWSUYJOCSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccccc1[O-] ZINC000817414824 586802567 /nfs/dbraw/zinc/80/25/67/586802567.db2.gz OTSBIVXHXFPPIH-ZYHUDNBSSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccccc1[O-] ZINC000817414824 586802568 /nfs/dbraw/zinc/80/25/68/586802568.db2.gz OTSBIVXHXFPPIH-ZYHUDNBSSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@H]1C[C@@H]([NH2+]CCN)c2c1c(F)ccc2[O-] ZINC000817935454 586843435 /nfs/dbraw/zinc/84/34/35/586843435.db2.gz WERXVXVPVNSXCG-IONNQARKSA-N 0 3 224.279 1.628 20 10 BDCDHN CC[C@H]([NH2+]CCCN)c1ccc(F)cc1[O-] ZINC000817938646 586844489 /nfs/dbraw/zinc/84/44/89/586844489.db2.gz OVKAEABSQZLWNG-NSHDSACASA-N 0 3 226.295 1.921 20 10 BDCDHN C[C@@H]([NH2+]CCNC1CC1)c1ccc(F)cc1[O-] ZINC000817954135 586849410 /nfs/dbraw/zinc/84/94/10/586849410.db2.gz VGBWOEQFDQRIMN-SECBINFHSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@@H](NCC[NH2+]C1CC1)c1ccc(F)cc1[O-] ZINC000817954135 586849412 /nfs/dbraw/zinc/84/94/12/586849412.db2.gz VGBWOEQFDQRIMN-SECBINFHSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H](C)CN)c1ccc(F)cc1[O-] ZINC000817962952 586852606 /nfs/dbraw/zinc/85/26/06/586852606.db2.gz PSQFSFXASMLSHY-DTWKUNHWSA-N 0 3 226.295 1.777 20 10 BDCDHN CC[C@@H]([NH2+][C@H](C)CN)c1ccccc1[O-] ZINC000817966343 586854804 /nfs/dbraw/zinc/85/48/04/586854804.db2.gz LUGZHJJYHNTOLY-MWLCHTKSSA-N 0 3 208.305 1.780 20 10 BDCDHN C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817977616 586861168 /nfs/dbraw/zinc/86/11/68/586861168.db2.gz LRJWHDWNULJTKD-CIUDSAMLSA-N 0 3 226.295 1.918 20 10 BDCDHN COC(=O)CC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000818329690 586886603 /nfs/dbraw/zinc/88/66/03/586886603.db2.gz CBSHHHZHHLTCFI-UHFFFAOYSA-N 0 3 249.310 1.824 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@]1(C)CO ZINC000827700461 587397653 /nfs/dbraw/zinc/39/76/53/587397653.db2.gz UKCZMKMPXNKFOI-SMDDNHRTSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@]1(C)CO ZINC000827700461 587397655 /nfs/dbraw/zinc/39/76/55/587397655.db2.gz UKCZMKMPXNKFOI-SMDDNHRTSA-N 0 3 235.327 1.843 20 10 BDCDHN Cc1cccc(C[N@@H+](C)C2(CO)CC2)c1[O-] ZINC000827903468 587408851 /nfs/dbraw/zinc/40/88/51/587408851.db2.gz IBKNUFUECXLVFD-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@H+](C)C2(CO)CC2)c1[O-] ZINC000827903468 587408852 /nfs/dbraw/zinc/40/88/52/587408852.db2.gz IBKNUFUECXLVFD-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN Nc1ccc(NC(=O)C2(N)CCC2)cc1 ZINC000832250187 587652007 /nfs/dbraw/zinc/65/20/07/587652007.db2.gz LWFBFDJYADQLJE-UHFFFAOYSA-N 0 3 205.261 1.089 20 10 BDCDHN CSCC[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000832244122 587652193 /nfs/dbraw/zinc/65/21/93/587652193.db2.gz LEXTYFRPGPSHKZ-JTQLQIEISA-N 0 3 239.344 1.288 20 10 BDCDHN [O-]c1ccc(Cl)cc1C[NH2+]C1CCNCC1 ZINC000841026489 587935610 /nfs/dbraw/zinc/93/56/10/587935610.db2.gz DVRUHKHDVGPCEW-UHFFFAOYSA-N 0 3 240.734 1.887 20 10 BDCDHN [NH3+][C@H](CNCc1cccc(Cl)c1[O-])C1CC1 ZINC000841048045 587939299 /nfs/dbraw/zinc/93/92/99/587939299.db2.gz BKAFASKGXAMUJI-LLVKDONJSA-N 0 3 240.734 1.873 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078471 587945024 /nfs/dbraw/zinc/94/50/24/587945024.db2.gz RPONUOHFOGOCOX-IAZYJMLFSA-N 0 3 238.718 1.353 20 10 BDCDHN C[C@@]1(O)C[C@H](NCc2ccc3c(c2)CCO3)C1 ZINC000841892503 587982677 /nfs/dbraw/zinc/98/26/77/587982677.db2.gz ZUIMJHJENJXDBK-XBXGTLAGSA-N 0 3 233.311 1.625 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842773588 588062137 /nfs/dbraw/zinc/06/21/37/588062137.db2.gz BLKJKFCFVAMJDV-UWVGGRQHSA-N 0 3 237.299 1.668 20 10 BDCDHN COc1cccc([O-])c1CN1CCC[C@@H]([NH3+])C1 ZINC000843043831 588075927 /nfs/dbraw/zinc/07/59/27/588075927.db2.gz JPZHSFXFFDEUHK-SNVBAGLBSA-N 0 3 236.315 1.324 20 10 BDCDHN Cc1cc([O-])c(CN2CC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000843045773 588076416 /nfs/dbraw/zinc/07/64/16/588076416.db2.gz WBFMJQCLPKFGKP-SECBINFHSA-N 0 3 240.734 1.887 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1[O-] ZINC000846189514 588259377 /nfs/dbraw/zinc/25/93/77/588259377.db2.gz MAFRFUJZWHDJAO-BBBLOLIVSA-N 0 3 234.299 1.307 20 10 BDCDHN C[C@@H]([NH2+][C@H](CO)CCF)c1cc(F)ccc1[O-] ZINC000846208310 588259995 /nfs/dbraw/zinc/25/99/95/588259995.db2.gz IGFCZLBSEFVSLV-SCZZXKLOSA-N 0 3 245.269 1.902 20 10 BDCDHN CON(C)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000850478634 588548026 /nfs/dbraw/zinc/54/80/26/588548026.db2.gz DTBWSYNXGWRMKT-SNVBAGLBSA-N 0 3 224.304 1.536 20 10 BDCDHN C[C@H]1CC[C@@H](NCc2cc(F)ccc2[O-])C[NH2+]1 ZINC000863484631 589293138 /nfs/dbraw/zinc/29/31/38/589293138.db2.gz KDHJOHLQDZFPQV-JOYOIKCWSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@@H]1[NH2+]CC[C@H]1NCc1cc(F)ccc1[O-] ZINC000863487944 589293704 /nfs/dbraw/zinc/29/37/04/589293704.db2.gz ZKVWRSHSXDXNHP-GZMMTYOYSA-N 0 3 224.279 1.371 20 10 BDCDHN C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1[O-] ZINC000863546808 589298128 /nfs/dbraw/zinc/29/81/28/589298128.db2.gz MOIVOXFOUZVUIE-VDDIYKPWSA-N 0 3 238.306 1.932 20 10 BDCDHN COc1cccc(CNC(=[NH2+])N[C@H]2C[C@H]2C)c1[O-] ZINC000864455966 589366914 /nfs/dbraw/zinc/36/69/14/589366914.db2.gz AZHVGNLNKASTQI-SCZZXKLOSA-N 0 3 249.314 1.423 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)CO)c1 ZINC000122060491 589551641 /nfs/dbraw/zinc/55/16/41/589551641.db2.gz KXNPYKYOMNQTRV-UHFFFAOYSA-N 0 3 239.315 1.509 20 10 BDCDHN C[C@@H](NC1CC1)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988616 589706853 /nfs/dbraw/zinc/70/68/53/589706853.db2.gz VATPWBINCHFODC-VHSXEESVSA-N 0 3 248.326 1.710 20 10 BDCDHN CC[C@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000870988215 589707132 /nfs/dbraw/zinc/70/71/32/589707132.db2.gz JCGOGVCBXZYIJT-SCZZXKLOSA-N 0 3 222.288 1.307 20 10 BDCDHN C[C@@H](NC(=O)CNC1CC1)c1ccccc1O ZINC000870988370 589707144 /nfs/dbraw/zinc/70/71/44/589707144.db2.gz NVSKQQOOFOYSNE-SECBINFHSA-N 0 3 234.299 1.321 20 10 BDCDHN CCc1nn(C)cc1C[NH2+]Cc1ccccc1[O-] ZINC000124020564 589905234 /nfs/dbraw/zinc/90/52/34/589905234.db2.gz BFHUWDUGXPKNBE-UHFFFAOYSA-N 0 3 245.326 1.978 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000873177267 589990312 /nfs/dbraw/zinc/99/03/12/589990312.db2.gz CFTQDZAOOHDEPX-MGCOHNPYSA-N 0 3 237.299 1.261 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCOC2)cc1C ZINC000125865142 590193991 /nfs/dbraw/zinc/19/39/91/590193991.db2.gz LHHJMUZXRWAOAE-GFCCVEGCSA-N 0 3 221.300 1.888 20 10 BDCDHN CC[N@H+](CCO)Cc1c(C)cccc1[O-] ZINC000876526879 590209239 /nfs/dbraw/zinc/20/92/39/590209239.db2.gz JFMNJUFNUFNRLX-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN CC[N@@H+](CCO)Cc1c(C)cccc1[O-] ZINC000876526879 590209240 /nfs/dbraw/zinc/20/92/40/590209240.db2.gz JFMNJUFNUFNRLX-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)C1 ZINC000876561180 590215445 /nfs/dbraw/zinc/21/54/45/590215445.db2.gz MCSLQLGITJZKFA-SNVBAGLBSA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)C1 ZINC000876561180 590215446 /nfs/dbraw/zinc/21/54/46/590215446.db2.gz MCSLQLGITJZKFA-SNVBAGLBSA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)C1 ZINC000876589501 590219063 /nfs/dbraw/zinc/21/90/63/590219063.db2.gz MCSLQLGITJZKFA-JTQLQIEISA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)C1 ZINC000876589501 590219064 /nfs/dbraw/zinc/21/90/64/590219064.db2.gz MCSLQLGITJZKFA-JTQLQIEISA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCCOCC2)c([O-])c1 ZINC000876618415 590222492 /nfs/dbraw/zinc/22/24/92/590222492.db2.gz UULMDHOZAOJCDL-UHFFFAOYSA-N 0 3 221.300 1.923 20 10 BDCDHN Cc1ccc(C[N@H+]2CCCOCC2)c([O-])c1 ZINC000876618415 590222493 /nfs/dbraw/zinc/22/24/93/590222493.db2.gz UULMDHOZAOJCDL-UHFFFAOYSA-N 0 3 221.300 1.923 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000876690653 590231091 /nfs/dbraw/zinc/23/10/91/590231091.db2.gz OYQBIPIMSWKCPM-LLVKDONJSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)[C@@H]1CCOC1 ZINC000876690653 590231093 /nfs/dbraw/zinc/23/10/93/590231093.db2.gz OYQBIPIMSWKCPM-LLVKDONJSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCOC1 ZINC000876929294 590258110 /nfs/dbraw/zinc/25/81/10/590258110.db2.gz HIXRPUXJAAYDNI-NSHDSACASA-N 0 3 221.300 1.827 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)c([O-])c1 ZINC000877080474 590280084 /nfs/dbraw/zinc/28/00/84/590280084.db2.gz QZXBBVFCKKVZDF-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CCCO ZINC000877109244 590286691 /nfs/dbraw/zinc/28/66/91/590286691.db2.gz DDQWYKCVDSTAIA-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+]CCc2cnccn2)c([O-])c1 ZINC000877131950 590290597 /nfs/dbraw/zinc/29/05/97/590290597.db2.gz PMGZWQPZEIQLTN-UHFFFAOYSA-N 0 3 243.310 1.823 20 10 BDCDHN Cc1cccc(C[NH2+]CCCn2ccnn2)c1[O-] ZINC000126424501 590302423 /nfs/dbraw/zinc/30/24/23/590302423.db2.gz JWCPTHCXSAUPSP-UHFFFAOYSA-N 0 3 246.314 1.472 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C[S@](C)=O ZINC000877310525 590312289 /nfs/dbraw/zinc/31/22/89/590312289.db2.gz NQQGBSLUTOYRMO-QFYYESIMSA-N 0 3 241.356 1.557 20 10 BDCDHN Cc1ccc(C[NH2+]CCc2ccn(C)n2)c([O-])c1 ZINC000877353236 590318599 /nfs/dbraw/zinc/31/85/99/590318599.db2.gz PNBJKYFYGGDQPS-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN COC(=O)C1(C[NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877425007 590325228 /nfs/dbraw/zinc/32/52/28/590325228.db2.gz WLPOMYBDGFCOCW-UHFFFAOYSA-N 0 3 249.310 1.743 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c([O-])c1 ZINC000877468607 590333205 /nfs/dbraw/zinc/33/32/05/590333205.db2.gz KXUIHLHFVQWGLU-AAEUAGOBSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000877535515 590350096 /nfs/dbraw/zinc/35/00/96/590350096.db2.gz PEVQBNRFOAXRDH-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](CC(N)=O)C2)c([O-])c1 ZINC000877535515 590350099 /nfs/dbraw/zinc/35/00/99/590350099.db2.gz PEVQBNRFOAXRDH-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN CC[C@@H]([NH2+]Cc1c(C)cccc1[O-])[C@H](C)O ZINC000877569076 590361559 /nfs/dbraw/zinc/36/15/59/590361559.db2.gz ZJOJPWFWQPXVHP-CMPLNLGQSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCC1(CO)CC1 ZINC000877571326 590361821 /nfs/dbraw/zinc/36/18/21/590361821.db2.gz VFJMDWDAWOSOPO-UHFFFAOYSA-N 0 3 235.327 1.953 20 10 BDCDHN CC[C@@H]([NH2+]Cc1c(C)cccc1[O-])[C@@H](C)O ZINC000877569079 590362109 /nfs/dbraw/zinc/36/21/09/590362109.db2.gz ZJOJPWFWQPXVHP-ZYHUDNBSSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1ccc(C[NH2+]CC2(N(C)C)CC2)c([O-])c1 ZINC000877592756 590369438 /nfs/dbraw/zinc/36/94/38/590369438.db2.gz JOMFVVJDDUNLTE-UHFFFAOYSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC3(COC3)C2)c([O-])c1 ZINC000877638693 590381494 /nfs/dbraw/zinc/38/14/94/590381494.db2.gz LQTIQYPSGZWWIW-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC3(COC3)C2)c([O-])c1 ZINC000877638693 590381498 /nfs/dbraw/zinc/38/14/98/590381498.db2.gz LQTIQYPSGZWWIW-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN COc1ccc(O)c([C@@H](C)NCC(C)=O)c1 ZINC000878361029 590554014 /nfs/dbraw/zinc/55/40/14/590554014.db2.gz VULOWFKIWQVAGT-SECBINFHSA-N 0 3 223.272 1.640 20 10 BDCDHN CN(C)c1ccc(CN2CC=C[C@H]2CO)cc1 ZINC000880492684 591071441 /nfs/dbraw/zinc/07/14/41/591071441.db2.gz UYVBVYFXGOBPGE-AWEZNQCLSA-N 0 3 232.327 1.485 20 10 BDCDHN CON(C)CCNCc1ccc2c(c1)CCO2 ZINC000883172465 591562980 /nfs/dbraw/zinc/56/29/80/591562980.db2.gz HVXIYWYCHCSNKM-UHFFFAOYSA-N 0 3 236.315 1.204 20 10 BDCDHN Cc1ccc(O)c([C@H](C)N[C@@H]2CNOC2)c1 ZINC000925861549 635556208 /nfs/dbraw/zinc/55/62/08/635556208.db2.gz FERXRQJSJVBEGO-VHSXEESVSA-N 0 3 222.288 1.255 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000087784328 631482754 /nfs/dbraw/zinc/48/27/54/631482754.db2.gz ZROBVWDEYMQABN-WCBMZHEXSA-N 0 3 225.263 1.971 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])c1ccnn1C ZINC000235505640 632770838 /nfs/dbraw/zinc/77/08/38/632770838.db2.gz RZWBBFKFJAVMEU-JTQLQIEISA-N 0 3 231.299 1.977 20 10 BDCDHN C[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1[O-] ZINC000162199799 633022521 /nfs/dbraw/zinc/02/25/21/633022521.db2.gz NALCOSLGZHQEIT-SNVBAGLBSA-N 0 3 221.300 1.958 20 10 BDCDHN C[C@H](CC(N)=O)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000168830608 633149473 /nfs/dbraw/zinc/14/94/73/633149473.db2.gz DSQBONJJNUCYSL-HTQZYQBOSA-N 0 3 240.278 1.446 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCSC1 ZINC000309886470 633903424 /nfs/dbraw/zinc/90/34/24/633903424.db2.gz YQYBRBBVXMLRKL-VIFPVBQESA-N 0 3 239.340 1.996 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CCOC1 ZINC000309884418 634037349 /nfs/dbraw/zinc/03/73/49/634037349.db2.gz XLMUUGTWTFPYEO-SECBINFHSA-N 0 3 223.272 1.279 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1[O-] ZINC000042544123 637278745 /nfs/dbraw/zinc/27/87/45/637278745.db2.gz APWITNXQFKBVDN-MNOVXSKESA-N 0 3 220.316 1.747 20 10 BDCDHN CC[C@@H](C)C[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000911660890 639692889 /nfs/dbraw/zinc/69/28/89/639692889.db2.gz NWISYQBOKOCACX-SKDRFNHKSA-N 0 3 235.331 1.971 20 10 BDCDHN CC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000229970508 640999799 /nfs/dbraw/zinc/99/97/99/640999799.db2.gz ATUQDPYVNRMQIP-WCBMZHEXSA-N 0 3 227.279 1.953 20 10 BDCDHN COc1ccc(C[NH2+][C@H]2CCSC2)c([O-])c1 ZINC000230705311 641084552 /nfs/dbraw/zinc/08/45/52/641084552.db2.gz ZKLMXEFEIIJXCA-JTQLQIEISA-N 0 3 239.340 1.996 20 10 BDCDHN COc1ccc(CNCc2c[nH]cn2)c(O)c1 ZINC000088750586 641386791 /nfs/dbraw/zinc/38/67/91/641386791.db2.gz NYTKSSRSPBUUDM-UHFFFAOYSA-N 0 3 233.271 1.414 20 10 BDCDHN CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000152881656 641666305 /nfs/dbraw/zinc/66/63/05/641666305.db2.gz SNEPBVIONVSTPX-GFCCVEGCSA-N 0 3 234.299 1.103 20 10 BDCDHN CC[C@@H](CCO)[NH2+]Cc1ccccc1[O-] ZINC000077453138 641857900 /nfs/dbraw/zinc/85/79/00/641857900.db2.gz BKRSPJAPGICHIO-NSHDSACASA-N 0 3 209.289 1.643 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCC[C@H]1O)CC2 ZINC000296631349 643548261 /nfs/dbraw/zinc/54/82/61/643548261.db2.gz CGOGVPDACVZEKX-IJLUTSLNSA-N 0 3 233.311 1.883 20 10 BDCDHN CN(Cc1cc(Cl)ccc1[O-])C1C[NH2+]C1 ZINC000085257090 643606482 /nfs/dbraw/zinc/60/64/82/643606482.db2.gz AQDJAQMRLAQUTP-UHFFFAOYSA-N 0 3 226.707 1.449 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1[O-] ZINC000079952419 644221629 /nfs/dbraw/zinc/22/16/29/644221629.db2.gz GTRHRSYDNRYRLU-UWVGGRQHSA-N 0 3 234.299 1.321 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccccc1[O-] ZINC000248384901 644678082 /nfs/dbraw/zinc/67/80/82/644678082.db2.gz GJRWTRFGDASHGU-UFGOTCBOSA-N 0 3 221.300 1.956 20 10 BDCDHN CC[C@@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817980962 644995206 /nfs/dbraw/zinc/99/52/06/644995206.db2.gz YOMMZIUDLFVWSL-WCBMZHEXSA-N 0 3 226.295 1.919 20 10 BDCDHN CN1CC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000712608575 712437515 /nfs/dbraw/zinc/43/75/15/712437515.db2.gz NBZLBCJVUHGHJX-LLVKDONJSA-N 0 3 206.289 1.186 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000381496005 710646479 /nfs/dbraw/zinc/64/64/79/710646479.db2.gz BFMOYAIFBIECIT-GHMZBOCLSA-N 0 3 219.284 1.758 20 10 BDCDHN C[C@H]1C[C@@H]([NH2+]CCO)c2c1c(F)ccc2[O-] ZINC000381259264 710612655 /nfs/dbraw/zinc/61/26/55/710612655.db2.gz RNMDJPJGVGWXFE-IONNQARKSA-N 0 3 225.263 1.662 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])[C@@H]1CN2CCC1CC2 ZINC000386444806 711030230 /nfs/dbraw/zinc/03/02/30/711030230.db2.gz CFCIBMFXMONKIW-CQSZACIVSA-N 0 3 246.354 1.918 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])[C@@H]1CN2CCC1CC2 ZINC000386444806 711030233 /nfs/dbraw/zinc/03/02/33/711030233.db2.gz CFCIBMFXMONKIW-CQSZACIVSA-N 0 3 246.354 1.918 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@@H]1COCCO1)CC2 ZINC000386534201 711032123 /nfs/dbraw/zinc/03/21/23/711032123.db2.gz PRSZTEAAHPQUPJ-VXGBXAGGSA-N 0 3 249.310 1.385 20 10 BDCDHN CCOC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000045686356 711488164 /nfs/dbraw/zinc/48/81/64/711488164.db2.gz OFZIKMNGZGLTAN-SNVBAGLBSA-N 0 3 237.299 1.996 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCOCCF)CC2 ZINC000705649282 712134014 /nfs/dbraw/zinc/13/40/14/712134014.db2.gz HDXGQGXUNJQWHV-LLVKDONJSA-N 0 3 239.290 1.955 20 10 BDCDHN CN1CC[C@H]1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000712581808 712433632 /nfs/dbraw/zinc/43/36/32/712433632.db2.gz PSYZIFWNDNLLNS-RYUDHWBXSA-N 0 3 232.327 1.673 20 10 BDCDHN C[C@@H](N[C@@H](C)C(N)=O)c1ccc(N(C)C)cc1 ZINC000037261359 712560841 /nfs/dbraw/zinc/56/08/41/712560841.db2.gz BWNVFQBCNIUVPK-ZJUUUORDSA-N 0 3 235.331 1.277 20 10 BDCDHN C[C@@H]([NH2+]C/C=C\CO)c1ccccc1[O-] ZINC000717533042 712660671 /nfs/dbraw/zinc/66/06/71/712660671.db2.gz MAJPWVZJDWTZEC-UMCURTJPSA-N 0 3 207.273 1.591 20 10 BDCDHN CN1CC[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000380211695 712726534 /nfs/dbraw/zinc/72/65/34/712726534.db2.gz HYELYVPSKVIFFA-VXGBXAGGSA-N 0 3 232.327 1.673 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000720951954 712881804 /nfs/dbraw/zinc/88/18/04/712881804.db2.gz TVRWWJFQSJCONN-QXEWZRGKSA-N 0 3 239.290 1.953 20 10 BDCDHN C[C@H](N)C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001574073381 984070595 /nfs/dbraw/zinc/07/05/95/984070595.db2.gz CPHXHNJCISDMEI-UWVGGRQHSA-N 0 3 235.331 1.277 20 10 BDCDHN C[C@]1([NH3+])CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000405832058 971309827 /nfs/dbraw/zinc/30/98/27/971309827.db2.gz NVXBKDBWZOJKHD-LBPRGKRZSA-N 0 3 240.734 1.969 20 10 BDCDHN CC(=O)C1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141159671 960896871 /nfs/dbraw/zinc/89/68/71/960896871.db2.gz JEKZAXQDKAZQHS-UHFFFAOYSA-N 0 3 249.310 1.899 20 10 BDCDHN Oc1ccc(O)c(CN2CC3(C2)CCOCC3)c1 ZINC001141158596 960897321 /nfs/dbraw/zinc/89/73/21/960897321.db2.gz GENBHFPPXRKNQF-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN Cc1cc([O-])c(CN(C)C2C[NH2+]C2)cc1Cl ZINC001235922860 966164494 /nfs/dbraw/zinc/16/44/94/966164494.db2.gz COUMWJUZFBIGHZ-UHFFFAOYSA-N 0 3 240.734 1.758 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236281903 966328600 /nfs/dbraw/zinc/32/86/00/966328600.db2.gz CCKPTLFBOOBPMJ-MWLCHTKSSA-N 0 3 238.718 1.449 20 10 BDCDHN CC1(CO)CN(Cc2ccccc2O)C1 ZINC001203550397 966680435 /nfs/dbraw/zinc/68/04/35/966680435.db2.gz VATJCSFXMQVXTE-UHFFFAOYSA-N 0 3 207.273 1.206 20 10 BDCDHN COC(=O)C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC001203560451 966689470 /nfs/dbraw/zinc/68/94/70/966689470.db2.gz AHMGMGIXVMLEES-LLVKDONJSA-N 0 3 249.310 1.777 20 10 BDCDHN COC(=O)C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC001203560451 966689484 /nfs/dbraw/zinc/68/94/84/966689484.db2.gz AHMGMGIXVMLEES-LLVKDONJSA-N 0 3 249.310 1.777 20 10 BDCDHN CN1CCC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203560520 966692252 /nfs/dbraw/zinc/69/22/52/966692252.db2.gz BQUUQZMOACIYHK-GXTWGEPZSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CCC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203560520 966692270 /nfs/dbraw/zinc/69/22/70/966692270.db2.gz BQUUQZMOACIYHK-GXTWGEPZSA-N 0 3 246.354 1.918 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@H](C(C)=O)C2)c([O-])c1 ZINC001203634463 966713693 /nfs/dbraw/zinc/71/36/93/966713693.db2.gz HHNBIKZYJHGKSL-NSHDSACASA-N 0 3 249.310 1.812 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@H](C(C)=O)C2)c([O-])c1 ZINC001203634463 966713705 /nfs/dbraw/zinc/71/37/05/966713705.db2.gz HHNBIKZYJHGKSL-NSHDSACASA-N 0 3 249.310 1.812 20 10 BDCDHN COC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1[O-] ZINC001203635063 966716854 /nfs/dbraw/zinc/71/68/54/966716854.db2.gz IPDJXWTZPJCONI-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN COC[C@H]1CC[N@H+]1Cc1ccc(OC)cc1[O-] ZINC001203635063 966716861 /nfs/dbraw/zinc/71/68/61/966716861.db2.gz IPDJXWTZPJCONI-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN COC[C@H]1CCN1Cc1ccc(OC)cc1O ZINC001203635063 966716868 /nfs/dbraw/zinc/71/68/68/966716868.db2.gz IPDJXWTZPJCONI-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN OC[C@@H]1CCCCN1Cc1ccc(O)c(O)c1 ZINC001203874035 966806556 /nfs/dbraw/zinc/80/65/56/966806556.db2.gz LQQKBYREDKSMEA-NSHDSACASA-N 0 3 237.299 1.445 20 10 BDCDHN Oc1ccc(CN2CCCC3(COC3)C2)cc1O ZINC001203875341 966806595 /nfs/dbraw/zinc/80/65/95/966806595.db2.gz LXWJESMYFGJBAZ-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001204281519 966957379 /nfs/dbraw/zinc/95/73/79/966957379.db2.gz TYJJWZIMAGMWRX-RYUDHWBXSA-N 0 3 249.310 1.566 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2COC[C@@H]2C1 ZINC001204281519 966957385 /nfs/dbraw/zinc/95/73/85/966957385.db2.gz TYJJWZIMAGMWRX-RYUDHWBXSA-N 0 3 249.310 1.566 20 10 BDCDHN CCO[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277276 966957434 /nfs/dbraw/zinc/95/74/34/966957434.db2.gz ATUASHNAJXCZAP-GFCCVEGCSA-N 0 3 237.299 1.709 20 10 BDCDHN CCO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277276 966957441 /nfs/dbraw/zinc/95/74/41/966957441.db2.gz ATUASHNAJXCZAP-GFCCVEGCSA-N 0 3 237.299 1.709 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001204281892 966957528 /nfs/dbraw/zinc/95/75/28/966957528.db2.gz ZFLFDGNHBAUYML-CNDDSTCGSA-N 0 3 237.274 1.745 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@H]2[C@H](CF)[C@H]2C1 ZINC001204281892 966957534 /nfs/dbraw/zinc/95/75/34/966957534.db2.gz ZFLFDGNHBAUYML-CNDDSTCGSA-N 0 3 237.274 1.745 20 10 BDCDHN C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204281074 966959686 /nfs/dbraw/zinc/95/96/86/966959686.db2.gz PKWAOBNZDHVGCB-GAJTVXKRSA-N 0 3 249.310 1.565 20 10 BDCDHN C[C@@H]1CO[C@@H]2C[N@@H+](Cc3ccc(O)cc3[O-])C[C@H]12 ZINC001204281074 966959699 /nfs/dbraw/zinc/95/96/99/966959699.db2.gz PKWAOBNZDHVGCB-GAJTVXKRSA-N 0 3 249.310 1.565 20 10 BDCDHN [NH3+][C@H]1CN(Cc2c([O-])cccc2Cl)C[C@H]1F ZINC001204823728 967185032 /nfs/dbraw/zinc/18/50/32/967185032.db2.gz LQVSADVVNIWNNK-ZJUUUORDSA-N 0 3 244.697 1.527 20 10 BDCDHN CC1=NO[C@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826567405 968669893 /nfs/dbraw/zinc/66/98/93/968669893.db2.gz XVIHQRWAUVPTKB-NSHDSACASA-N 0 3 238.262 1.786 20 10 BDCDHN CC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001169561784 969756443 /nfs/dbraw/zinc/75/64/43/969756443.db2.gz XXTQFVYGDZYOAB-CYBMUJFWSA-N 0 3 248.326 1.445 20 10 BDCDHN CC(=O)N1CC[C@@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001169561784 969756444 /nfs/dbraw/zinc/75/64/44/969756444.db2.gz XXTQFVYGDZYOAB-CYBMUJFWSA-N 0 3 248.326 1.445 20 10 BDCDHN Cc1cnccc1Nc1cc(N)c(O)cc1O ZINC001174539255 976829082 /nfs/dbraw/zinc/82/90/82/976829082.db2.gz ZVXPBSQBRJTSDQ-UHFFFAOYSA-N 0 3 231.255 1.549 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@]2(CCO2)C1 ZINC001204279095 978934715 /nfs/dbraw/zinc/93/47/15/978934715.db2.gz QLWWOPPELUQPMS-AWEZNQCLSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@]2(CCO2)C1 ZINC001204279095 978934723 /nfs/dbraw/zinc/93/47/23/978934723.db2.gz QLWWOPPELUQPMS-AWEZNQCLSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001204280458 978943438 /nfs/dbraw/zinc/94/34/38/978943438.db2.gz KFINQBIUAPUWIO-RISCZKNCSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC001204280458 978943443 /nfs/dbraw/zinc/94/34/43/978943443.db2.gz KFINQBIUAPUWIO-RISCZKNCSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1cccc2c1C[N@H+](CCCO)CC2 ZINC001236072591 979360870 /nfs/dbraw/zinc/36/08/70/979360870.db2.gz LDLCWXPRWXSIOH-UHFFFAOYSA-N 0 3 207.273 1.133 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+](CCCO)CC2 ZINC001236072591 979360878 /nfs/dbraw/zinc/36/08/78/979360878.db2.gz LDLCWXPRWXSIOH-UHFFFAOYSA-N 0 3 207.273 1.133 20 10 BDCDHN C[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000688046040 985528128 /nfs/dbraw/zinc/52/81/28/985528128.db2.gz GWKYORWWPOBGNY-KOLCDFICSA-N 0 3 207.273 1.517 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000196423297 985759692 /nfs/dbraw/zinc/75/96/92/985759692.db2.gz IJZGPIBXDXORGG-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC[C@H]2CO)c([O-])c1 ZINC000196423297 985759705 /nfs/dbraw/zinc/75/97/05/985759705.db2.gz IJZGPIBXDXORGG-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN CCN(C)C(=O)[C@@H](C)NCc1ccc(N)cc1 ZINC001120371809 989645662 /nfs/dbraw/zinc/64/56/62/989645662.db2.gz RCSJKRMMKFDDSO-SNVBAGLBSA-N 0 3 235.331 1.225 20 10 BDCDHN CN(C(=O)[C@]12C[C@H]1CCCN2)c1ccc(N)cc1 ZINC001122172593 990275675 /nfs/dbraw/zinc/27/56/75/990275675.db2.gz CVGINZDENWOQDU-YGRLFVJLSA-N 0 3 245.326 1.374 20 10 BDCDHN C[C@@H](O)[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC001560075187 991372055 /nfs/dbraw/zinc/37/20/55/991372055.db2.gz VUILRLCLBRBOLM-OPRDCNLKSA-N 0 3 209.289 1.812 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)[C@H](C)O)c1ccccc1[O-] ZINC001560075184 991373160 /nfs/dbraw/zinc/37/31/60/991373160.db2.gz VUILRLCLBRBOLM-AEJSXWLSSA-N 0 3 209.289 1.812 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000228791610 398341725 /nfs/dbraw/zinc/34/17/25/398341725.db2.gz MJQPSMBSCAOCDA-XCBNKYQSSA-N 0 3 249.232 1.966 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134245891 178797640 /nfs/dbraw/zinc/79/76/40/178797640.db2.gz VFKZRPZJNYHXJG-ZYHUDNBSSA-N 0 3 221.300 1.968 20 10 BDCDHN Cc1cccc(C[N@H+](C)CCC(N)=O)c1[O-] ZINC000289839618 179064028 /nfs/dbraw/zinc/06/40/28/179064028.db2.gz UPJDYMVLLGJVOH-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN Cc1cccc(C[N@@H+](C)CCC(N)=O)c1[O-] ZINC000289839618 179064029 /nfs/dbraw/zinc/06/40/29/179064029.db2.gz UPJDYMVLLGJVOH-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN Cc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1[O-] ZINC000183467854 179073526 /nfs/dbraw/zinc/07/35/26/179073526.db2.gz SRZJGMJYESXUGC-UHFFFAOYSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191718056 179081047 /nfs/dbraw/zinc/08/10/47/179081047.db2.gz QUOPUBDHHNCQKM-YPMHNXCESA-N 0 3 235.327 1.761 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1[O-] ZINC000191718056 179081050 /nfs/dbraw/zinc/08/10/50/179081050.db2.gz QUOPUBDHHNCQKM-YPMHNXCESA-N 0 3 235.327 1.761 20 10 BDCDHN Cc1cccc(C[NH2+]CC2(C)COC2)c1[O-] ZINC000162863229 179090135 /nfs/dbraw/zinc/09/01/35/179090135.db2.gz ZWPAEOLVTIEOLP-UHFFFAOYSA-N 0 3 221.300 1.827 20 10 BDCDHN CCN(CC)c1ccc(CN(C)CCO)cc1 ZINC000077253399 191006325 /nfs/dbraw/zinc/00/63/25/191006325.db2.gz YNXBWWFVZOLSFW-UHFFFAOYSA-N 0 3 236.359 1.957 20 10 BDCDHN Cn1nccc1C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295771548 180845374 /nfs/dbraw/zinc/84/53/74/180845374.db2.gz AJSKLMAYEBDILO-GFCCVEGCSA-N 0 3 243.310 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000188839917 188348923 /nfs/dbraw/zinc/34/89/23/188348923.db2.gz SEALPYKZKNKIRV-WCQYABFASA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000188839850 188348927 /nfs/dbraw/zinc/34/89/27/188348927.db2.gz SEALPYKZKNKIRV-YPMHNXCESA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc(C[NH2+]CCCCO)c1[O-] ZINC000193275265 188352472 /nfs/dbraw/zinc/35/24/72/188352472.db2.gz XIWMHYCSTYLKHI-UHFFFAOYSA-N 0 3 209.289 1.563 20 10 BDCDHN NC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000266123834 181191427 /nfs/dbraw/zinc/19/14/27/181191427.db2.gz NGZISJUPCYDRCJ-UHFFFAOYSA-N 0 3 219.288 1.254 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N(C)C ZINC000296485260 364785604 /nfs/dbraw/zinc/78/56/04/364785604.db2.gz PHRCNGIOLKTTJG-ONGXEEELSA-N 0 3 248.326 1.446 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293913877 183274815 /nfs/dbraw/zinc/27/48/15/183274815.db2.gz GDWUSTCFANAFFI-GFCCVEGCSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@@H](O)CC1 ZINC000293913877 183274817 /nfs/dbraw/zinc/27/48/17/183274817.db2.gz GDWUSTCFANAFFI-GFCCVEGCSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CCCOC1 ZINC000226593958 183275702 /nfs/dbraw/zinc/27/57/02/183275702.db2.gz HREXTJRWTBOYFA-LLVKDONJSA-N 0 3 225.263 1.800 20 10 BDCDHN CCCN(Cc1ccccc1O)C(=O)[C@@H](C)N ZINC000156730083 169177268 /nfs/dbraw/zinc/17/72/68/169177268.db2.gz CKYQCISBHPCOCP-SNVBAGLBSA-N 0 3 236.315 1.478 20 10 BDCDHN [O-]c1cccc(Cl)c1CN1CC[NH2+]CC1 ZINC000082657484 183292353 /nfs/dbraw/zinc/29/23/53/183292353.db2.gz ORTBISNMVLPQGL-UHFFFAOYSA-N 0 3 226.707 1.451 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1C[C@@H](O)C1)CC2 ZINC000296013471 183296596 /nfs/dbraw/zinc/29/65/96/183296596.db2.gz RHOLVERVFLHICK-AXFHLTTASA-N 0 3 219.284 1.492 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCn1ccnc1)CC2 ZINC000295847758 183296699 /nfs/dbraw/zinc/29/66/99/183296699.db2.gz FYFAORUYZCJYMX-GFCCVEGCSA-N 0 3 243.310 1.866 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252704714 183303115 /nfs/dbraw/zinc/30/31/15/183303115.db2.gz OCJYIOTZKSPAQR-HAQNSBGRSA-N 0 3 221.300 1.785 20 10 BDCDHN c1cc(CNC[C@H]2CCCO2)cc2c1OCC2 ZINC000001743410 183368245 /nfs/dbraw/zinc/36/82/45/183368245.db2.gz IEYPWNCLKNXLKY-CYBMUJFWSA-N 0 3 233.311 1.890 20 10 BDCDHN CCC[C@@H](N)C(=O)NCCc1ccc(N)cc1 ZINC000262465458 169389033 /nfs/dbraw/zinc/38/90/33/169389033.db2.gz XRJDECQNEPDFMS-GFCCVEGCSA-N 0 3 235.331 1.055 20 10 BDCDHN COC[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1[O-] ZINC000071265159 384156523 /nfs/dbraw/zinc/15/65/23/384156523.db2.gz LBIKVFCCIAOASP-MNOVXSKESA-N 0 3 239.315 1.359 20 10 BDCDHN COC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000071264965 384157347 /nfs/dbraw/zinc/15/73/47/384157347.db2.gz YVMWENYSVJPPTL-WDEREUQCSA-N 0 3 239.315 1.359 20 10 BDCDHN CC[N@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000132478122 384233835 /nfs/dbraw/zinc/23/38/35/384233835.db2.gz YMHVSTXJPSINHN-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN CC[N@@H+](CCO)Cc1cc(OC)ccc1[O-] ZINC000132478122 384233841 /nfs/dbraw/zinc/23/38/41/384233841.db2.gz YMHVSTXJPSINHN-UHFFFAOYSA-N 0 3 225.288 1.215 20 10 BDCDHN COC[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000132743675 384246533 /nfs/dbraw/zinc/24/65/33/384246533.db2.gz AKCDPQCDSSTUHE-NSHDSACASA-N 0 3 221.300 1.861 20 10 BDCDHN COC[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000132743675 384246541 /nfs/dbraw/zinc/24/65/41/384246541.db2.gz AKCDPQCDSSTUHE-NSHDSACASA-N 0 3 221.300 1.861 20 10 BDCDHN C[C@H](O)C(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000160624851 384311772 /nfs/dbraw/zinc/31/17/72/384311772.db2.gz OANJYQXZQWJKBY-VIFPVBQESA-N 0 3 209.289 1.641 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](C)CO)c1ccccc1[O-] ZINC000083215432 384289982 /nfs/dbraw/zinc/28/99/82/384289982.db2.gz VZSFWQZCKKDXQX-VHSXEESVSA-N 0 3 209.289 1.671 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)O)c([O-])c1 ZINC000035601541 384411483 /nfs/dbraw/zinc/41/14/83/384411483.db2.gz YPIMBHDITIXSNT-VHSXEESVSA-N 0 3 209.289 1.732 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]CCN(C)C)c([O-])c1 ZINC000020083634 384573778 /nfs/dbraw/zinc/57/37/78/384573778.db2.gz QHSHPJAWVRHAMP-LLVKDONJSA-N 0 3 222.332 1.913 20 10 BDCDHN C/C=C/C[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000186534905 384850579 /nfs/dbraw/zinc/85/05/79/384850579.db2.gz ADFDMLPOGHAZDT-JDGPPOGSSA-N 0 3 239.290 1.948 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C(C)(C)CCO)c1 ZINC000127140685 384867604 /nfs/dbraw/zinc/86/76/04/384867604.db2.gz ASRZNOJRJMGWDY-UHFFFAOYSA-N 0 3 223.316 1.951 20 10 BDCDHN COC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000084857714 384902565 /nfs/dbraw/zinc/90/25/65/384902565.db2.gz ATQPUEVSRNENJM-UHFFFAOYSA-N 0 3 249.310 1.777 20 10 BDCDHN CN(C)c1ccc(CN2CC[C@H](O)C2)cc1 ZINC000084933961 384905115 /nfs/dbraw/zinc/90/51/15/384905115.db2.gz AUOMXQXYXSTDNS-ZDUSSCGKSA-N 0 3 220.316 1.319 20 10 BDCDHN Cc1ccc([O-])c(C[NH+]2CCC(O)CC2)c1 ZINC000128064924 384990823 /nfs/dbraw/zinc/99/08/23/384990823.db2.gz WELJOVWISRVLOJ-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN CSC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000188058267 385007318 /nfs/dbraw/zinc/00/73/18/385007318.db2.gz PIDAIOCMMSKTKQ-NSHDSACASA-N 0 3 241.356 1.548 20 10 BDCDHN CSC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000188058267 385007329 /nfs/dbraw/zinc/00/73/29/385007329.db2.gz PIDAIOCMMSKTKQ-NSHDSACASA-N 0 3 241.356 1.548 20 10 BDCDHN C[C@@H](N)C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166475846 385247792 /nfs/dbraw/zinc/24/77/92/385247792.db2.gz REFLUVKDOILXFI-SNVBAGLBSA-N 0 3 247.342 1.032 20 10 BDCDHN C[C@H](CCO)CC[NH2+]Cc1ccccc1[O-] ZINC000295149505 385458731 /nfs/dbraw/zinc/45/87/31/385458731.db2.gz QZLUPBGCGRUVFY-NSHDSACASA-N 0 3 223.316 1.890 20 10 BDCDHN CC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180425006 385523580 /nfs/dbraw/zinc/52/35/80/385523580.db2.gz STJAIKVZDFSFTA-LBPRGKRZSA-N 0 3 227.279 1.782 20 10 BDCDHN CCOC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000269665726 385620851 /nfs/dbraw/zinc/62/08/51/385620851.db2.gz VRZZZAMNXPWHKF-LBPRGKRZSA-N 0 3 239.315 1.221 20 10 BDCDHN CCOC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000269665726 385620854 /nfs/dbraw/zinc/62/08/54/385620854.db2.gz VRZZZAMNXPWHKF-LBPRGKRZSA-N 0 3 239.315 1.221 20 10 BDCDHN COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000234890299 386113343 /nfs/dbraw/zinc/11/33/43/386113343.db2.gz VASWKLQCASEKSW-WDEREUQCSA-N 0 3 239.315 1.359 20 10 BDCDHN Cn1cncc1CC[N@H+](C)Cc1ccccc1[O-] ZINC000289516722 386320866 /nfs/dbraw/zinc/32/08/66/386320866.db2.gz FTFDYVJGIWMNFF-UHFFFAOYSA-N 0 3 245.326 1.800 20 10 BDCDHN Cn1cncc1CC[N@@H+](C)Cc1ccccc1[O-] ZINC000289516722 386320872 /nfs/dbraw/zinc/32/08/72/386320872.db2.gz FTFDYVJGIWMNFF-UHFFFAOYSA-N 0 3 245.326 1.800 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCC(C)(C)O)c1 ZINC000274727159 386368249 /nfs/dbraw/zinc/36/82/49/386368249.db2.gz GPPCTFHHHUXURA-UHFFFAOYSA-N 0 3 223.316 1.951 20 10 BDCDHN COC[C@@](C)(CCO)[NH2+]Cc1ccccc1[O-] ZINC000267315741 386527930 /nfs/dbraw/zinc/52/79/30/386527930.db2.gz DGVNNBVFUNXFSM-CYBMUJFWSA-N 0 3 239.315 1.269 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCN3CCC2CC3)c1 ZINC000377630140 387733993 /nfs/dbraw/zinc/73/39/93/387733993.db2.gz SMMADERERHGCJI-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCN3CCC2CC3)c1 ZINC000377630140 387733996 /nfs/dbraw/zinc/73/39/96/387733996.db2.gz SMMADERERHGCJI-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CC2COC2)c1 ZINC000528023451 387829086 /nfs/dbraw/zinc/82/90/86/387829086.db2.gz DHPUXESYHZUPIT-VIFPVBQESA-N 0 3 237.299 1.698 20 10 BDCDHN CC[C@@H](COC)[NH2+]Cc1cccc(OC)c1[O-] ZINC000079735375 387955934 /nfs/dbraw/zinc/95/59/34/387955934.db2.gz CVQYPTGWSQBTSH-NSHDSACASA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@@H](O)C(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000160624988 388079240 /nfs/dbraw/zinc/07/92/40/388079240.db2.gz OANJYQXZQWJKBY-SECBINFHSA-N 0 3 209.289 1.641 20 10 BDCDHN COc1cccc(C[NH2+]CC23CC(C2)CO3)c1[O-] ZINC000527790849 388700872 /nfs/dbraw/zinc/70/08/72/388700872.db2.gz WDNJZFQMOVWCRR-UHFFFAOYSA-N 0 3 249.310 1.669 20 10 BDCDHN Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000272872767 389035019 /nfs/dbraw/zinc/03/50/19/389035019.db2.gz PDAYLXFRXONCDA-VIFPVBQESA-N 0 3 246.314 1.712 20 10 BDCDHN C[C@@H](O)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000291105755 398088884 /nfs/dbraw/zinc/08/88/84/398088884.db2.gz SAKXSUDSCYASGQ-SNVBAGLBSA-N 0 3 240.322 1.704 20 10 BDCDHN CCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295778199 170095840 /nfs/dbraw/zinc/09/58/40/170095840.db2.gz ARVMKWNVMYQGMP-GXSJLCMTSA-N 0 3 248.326 1.494 20 10 BDCDHN CCNC(=O)[C@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295778212 170096167 /nfs/dbraw/zinc/09/61/67/170096167.db2.gz ARVMKWNVMYQGMP-ONGXEEELSA-N 0 3 248.326 1.494 20 10 BDCDHN CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000042560942 173303010 /nfs/dbraw/zinc/30/30/10/173303010.db2.gz FYXAICNZIWGREL-UWVGGRQHSA-N 0 3 236.315 1.486 20 10 BDCDHN CNC(=O)[C@H](C)N[C@H](C)c1ccc(N(C)C)cc1 ZINC000042561811 173303329 /nfs/dbraw/zinc/30/33/29/173303329.db2.gz JHTVXEZBDCOCPM-MNOVXSKESA-N 0 3 249.358 1.538 20 10 BDCDHN COCCC[N@H+](CCO)Cc1ccccc1[O-] ZINC000188934779 174224615 /nfs/dbraw/zinc/22/46/15/174224615.db2.gz OJLWWLNESWHUEG-UHFFFAOYSA-N 0 3 239.315 1.223 20 10 BDCDHN COCCC[N@@H+](CCO)Cc1ccccc1[O-] ZINC000188934779 174224618 /nfs/dbraw/zinc/22/46/18/174224618.db2.gz OJLWWLNESWHUEG-UHFFFAOYSA-N 0 3 239.315 1.223 20 10 BDCDHN COCC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111305 174337978 /nfs/dbraw/zinc/33/79/78/174337978.db2.gz YKDWRNBLDPUVGG-QMMMGPOBSA-N 0 3 213.252 1.828 20 10 BDCDHN COCC[C@@H](CO)[NH2+]Cc1cccc(C)c1[O-] ZINC000281250721 174389230 /nfs/dbraw/zinc/38/92/30/174389230.db2.gz MMUBJFXLMWBYGH-LBPRGKRZSA-N 0 3 239.315 1.188 20 10 BDCDHN COc1ccc(CN[C@H]2CC(=O)N(C)C2)cc1C ZINC000263706518 175111650 /nfs/dbraw/zinc/11/16/50/175111650.db2.gz HEQXRXNKNSZQLS-LBPRGKRZSA-N 0 3 248.326 1.324 20 10 BDCDHN COc1ccc(O)c(CN(C)[C@@H]2CCOC2)c1 ZINC000156097923 175157484 /nfs/dbraw/zinc/15/74/84/175157484.db2.gz IHPHSMCBXBVYCP-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CCCCO)c1 ZINC000193280460 175158741 /nfs/dbraw/zinc/15/87/41/175158741.db2.gz MIFUFUGWPOZPRZ-UHFFFAOYSA-N 0 3 225.288 1.263 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000164726023 175158831 /nfs/dbraw/zinc/15/88/31/175158831.db2.gz WJEAKVSQMSCISL-VHSXEESVSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071300245 175159280 /nfs/dbraw/zinc/15/92/80/175159280.db2.gz JJYLVQHACNFNEI-CYBMUJFWSA-N 0 3 237.299 1.261 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CCCO)c1 ZINC000094942654 175159371 /nfs/dbraw/zinc/15/93/71/175159371.db2.gz BSDFBTAKMCZZMQ-JTQLQIEISA-N 0 3 239.315 1.651 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC[C@@H](C)OC)c1 ZINC000271901782 175159382 /nfs/dbraw/zinc/15/93/82/175159382.db2.gz VUEZREMUCJKYEG-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCCO)c1 ZINC000020188107 175160645 /nfs/dbraw/zinc/16/06/45/175160645.db2.gz QSASMZUUAVLDHX-SECBINFHSA-N 0 3 225.288 1.434 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000294948201 175267182 /nfs/dbraw/zinc/26/71/82/175267182.db2.gz VSFHEAIPPJRHOG-AOOOYVTPSA-N 0 3 223.272 1.014 20 10 BDCDHN CNC[C@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000853248926 588728858 /nfs/dbraw/zinc/72/88/58/588728858.db2.gz LWPLZPMVZQXKGJ-ZETCQYMHSA-N 0 3 246.713 1.882 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](CO)CC(F)F ZINC000894567506 583485228 /nfs/dbraw/zinc/48/52/28/583485228.db2.gz RFCIFACKUACEMM-SECBINFHSA-N 0 3 245.269 1.806 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895647330 583699058 /nfs/dbraw/zinc/69/90/58/583699058.db2.gz KGMAGGWWPYRVAZ-DGCLKSJQSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895647330 583699059 /nfs/dbraw/zinc/69/90/59/583699059.db2.gz KGMAGGWWPYRVAZ-DGCLKSJQSA-N 0 3 219.284 1.267 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897680529 584037821 /nfs/dbraw/zinc/03/78/21/584037821.db2.gz SGAMOMRIGLTCBV-GXFFZTMASA-N 0 3 235.327 1.767 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897680529 584037823 /nfs/dbraw/zinc/03/78/23/584037823.db2.gz SGAMOMRIGLTCBV-GXFFZTMASA-N 0 3 235.327 1.767 20 10 BDCDHN CC1(C)C[NH2+]C[C@H]1N[C@H]1CCc2cccc([O-])c21 ZINC000902446228 584594144 /nfs/dbraw/zinc/59/41/44/584594144.db2.gz SSAZZMAUXADVQM-WCQYABFASA-N 0 3 246.354 1.967 20 10 BDCDHN C[C@@H]([NH3+])[C@H](C)NCc1cccc(Cl)c1[O-] ZINC000841076981 584761391 /nfs/dbraw/zinc/76/13/91/584761391.db2.gz VSPHSJXLLRAZLE-SFYZADRCSA-N 0 3 228.723 1.871 20 10 BDCDHN CCC[C@@](C)(N)C(=O)N(C)c1ccc(N)cc1 ZINC000877079113 584889887 /nfs/dbraw/zinc/88/98/87/584889887.db2.gz QZVDAPZKJUYKPU-CYBMUJFWSA-N 0 3 235.331 1.749 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](C)N)c1cc(F)cc(F)c1[O-] ZINC000817971846 584993329 /nfs/dbraw/zinc/99/33/29/584993329.db2.gz HTTHQUSQVAMYDZ-NKWVEPMBSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@@H](NC[C@H](C)[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817971846 584993330 /nfs/dbraw/zinc/99/33/30/584993330.db2.gz HTTHQUSQVAMYDZ-NKWVEPMBSA-N 0 3 230.258 1.668 20 10 BDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCC1 ZINC000768465362 585538970 /nfs/dbraw/zinc/53/89/70/585538970.db2.gz HJMXFSKNDLPILZ-ZDUSSCGKSA-N 0 3 249.310 1.802 20 10 BDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)C1CCC1 ZINC000768465362 585538971 /nfs/dbraw/zinc/53/89/71/585538971.db2.gz HJMXFSKNDLPILZ-ZDUSSCGKSA-N 0 3 249.310 1.802 20 10 BDCDHN NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770509483 585575156 /nfs/dbraw/zinc/57/51/56/585575156.db2.gz ATXWDGFGCAOVIG-GFCCVEGCSA-N 0 3 248.326 1.622 20 10 BDCDHN NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770509483 585575157 /nfs/dbraw/zinc/57/51/57/585575157.db2.gz ATXWDGFGCAOVIG-GFCCVEGCSA-N 0 3 248.326 1.622 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])[C@@H](C)CN1C ZINC000775987309 585688673 /nfs/dbraw/zinc/68/86/73/585688673.db2.gz VKSQXHBMKHJWEF-NEPJUHHUSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])[C@@H](C)CN1C ZINC000775987309 585688674 /nfs/dbraw/zinc/68/86/74/585688674.db2.gz VKSQXHBMKHJWEF-NEPJUHHUSA-N 0 3 234.343 1.917 20 10 BDCDHN CN(Cc1ccccc1O)[C@@H]1CCCN(C)C1=O ZINC000778949491 585742792 /nfs/dbraw/zinc/74/27/92/585742792.db2.gz JEKHFSJBIOWKSU-GFCCVEGCSA-N 0 3 248.326 1.445 20 10 BDCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC000787420565 585909211 /nfs/dbraw/zinc/90/92/11/585909211.db2.gz IYECOHSCTKIPNA-JQWIXIFHSA-N 0 3 249.310 1.776 20 10 BDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC000787420565 585909212 /nfs/dbraw/zinc/90/92/12/585909212.db2.gz IYECOHSCTKIPNA-JQWIXIFHSA-N 0 3 249.310 1.776 20 10 BDCDHN CCOc1ccc(C[N@H+](C)[C@@H](C)CO)c([O-])c1 ZINC000809743445 586515749 /nfs/dbraw/zinc/51/57/49/586515749.db2.gz ZZPIJSBDXLWBIM-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1ccc(C[N@@H+](C)[C@@H](C)CO)c([O-])c1 ZINC000809743445 586515750 /nfs/dbraw/zinc/51/57/50/586515750.db2.gz ZZPIJSBDXLWBIM-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN Cc1cccc(C[N@H+](C)C[C@H](O)C2CC2)c1[O-] ZINC000809753137 586517942 /nfs/dbraw/zinc/51/79/42/586517942.db2.gz ZTMOTTLEOGNJLE-ZDUSSCGKSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+](C)C[C@H](O)C2CC2)c1[O-] ZINC000809753137 586517943 /nfs/dbraw/zinc/51/79/43/586517943.db2.gz ZTMOTTLEOGNJLE-ZDUSSCGKSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H](C[NH2+]Cc1c([O-])cccc1OC)OC ZINC000810175679 586535982 /nfs/dbraw/zinc/53/59/82/586535982.db2.gz AZOWBLQQJVVTEN-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@@H]1CN(Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000816647976 586750543 /nfs/dbraw/zinc/75/05/43/586750543.db2.gz BNZVJOYIFQIKHK-BDAKNGLRSA-N 0 3 235.283 1.961 20 10 BDCDHN C[C@H]1C[C@H]([NH2+]CCN)c2c1c(F)ccc2[O-] ZINC000817935452 586842928 /nfs/dbraw/zinc/84/29/28/586842928.db2.gz WERXVXVPVNSXCG-CBAPKCEASA-N 0 3 224.279 1.628 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C1CCNCC1)CC2 ZINC000817937254 586844238 /nfs/dbraw/zinc/84/42/38/586844238.db2.gz VZZYZKYPRSGBOY-GFCCVEGCSA-N 0 3 232.327 1.721 20 10 BDCDHN CC[C@H]([NH2+]CCN)c1ccc(F)cc1[O-] ZINC000817937322 586844756 /nfs/dbraw/zinc/84/47/56/586844756.db2.gz WQQAGTCTODLWPA-JTQLQIEISA-N 0 3 212.268 1.531 20 10 BDCDHN C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(F)cc1[O-] ZINC000817951226 586847491 /nfs/dbraw/zinc/84/74/91/586847491.db2.gz BXLWVNNXVCZYHA-MWLCHTKSSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@H](NCCc1ccc(N)cc1)c1ncc[nH]1 ZINC000817956757 586850478 /nfs/dbraw/zinc/85/04/78/586850478.db2.gz CEZXVQSHYVOATR-JTQLQIEISA-N 0 3 230.315 1.885 20 10 BDCDHN C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccccc1[O-] ZINC000817959440 586851858 /nfs/dbraw/zinc/85/18/58/586851858.db2.gz FYNNPADIMNHZSS-SKDRFNHKSA-N 0 3 220.316 1.780 20 10 BDCDHN C[C@H](CN)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817961664 586853148 /nfs/dbraw/zinc/85/31/48/586853148.db2.gz BXTVQJUKHQXSBW-SFYZADRCSA-N 0 3 244.285 1.916 20 10 BDCDHN C[C@H](NCC1C[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817964892 586853635 /nfs/dbraw/zinc/85/36/35/586853635.db2.gz IPPLOYFJABWOTR-ZETCQYMHSA-N 0 3 242.269 1.540 20 10 BDCDHN C[C@H]([NH2+]CC1CNC1)c1cc(F)cc(F)c1[O-] ZINC000817964892 586853637 /nfs/dbraw/zinc/85/36/37/586853637.db2.gz IPPLOYFJABWOTR-ZETCQYMHSA-N 0 3 242.269 1.540 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H](C)CN)c([O-])c1 ZINC000817966297 586855416 /nfs/dbraw/zinc/85/54/16/586855416.db2.gz KXZSUOZHJSOMTJ-ZJUUUORDSA-N 0 3 208.305 1.698 20 10 BDCDHN C[C@@H](CN)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000817969660 586856611 /nfs/dbraw/zinc/85/66/11/586856611.db2.gz GFAGOWMBBNIUMJ-WPRPVWTQSA-N 0 3 206.289 1.316 20 10 BDCDHN C[C@@H]([NH3+])CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972905 586859703 /nfs/dbraw/zinc/85/97/03/586859703.db2.gz PJHRPWAXMIJZCF-SFYZADRCSA-N 0 3 239.275 1.298 20 10 BDCDHN C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000817978196 586861586 /nfs/dbraw/zinc/86/15/86/586861586.db2.gz YGOVDJQJUIHOOZ-GUBZILKMSA-N 0 3 208.305 1.779 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+][C@@H]2CCOC2)c1 ZINC000818236325 586881514 /nfs/dbraw/zinc/88/15/14/586881514.db2.gz PJUVEIQOJSWEIN-LLVKDONJSA-N 0 3 237.299 1.669 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000825103981 587304446 /nfs/dbraw/zinc/30/44/46/587304446.db2.gz JOMPPJSJJFXIJL-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1[O-] ZINC000825103981 587304449 /nfs/dbraw/zinc/30/44/49/587304449.db2.gz JOMPPJSJJFXIJL-ZYHUDNBSSA-N 0 3 221.300 1.656 20 10 BDCDHN COc1cccc(C[NH2+]C2([C@H](C)O)CC2)c1[O-] ZINC000827579946 587389659 /nfs/dbraw/zinc/38/96/59/587389659.db2.gz MOIAUYWMGKSNME-VIFPVBQESA-N 0 3 237.299 1.404 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C2([C@H](C)O)CC2)c1 ZINC000827585277 587390496 /nfs/dbraw/zinc/39/04/96/587390496.db2.gz DNBDZOYFMBCWHO-VIFPVBQESA-N 0 3 237.299 1.404 20 10 BDCDHN [O-]c1ccc(F)cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032990 587937230 /nfs/dbraw/zinc/93/72/30/587937230.db2.gz LJCDORZLEHISME-LBPRGKRZSA-N 0 3 238.306 1.763 20 10 BDCDHN CC[NH2+]CCNCc1cc(Cl)ccc1[O-] ZINC000841037723 587937823 /nfs/dbraw/zinc/93/78/23/587937823.db2.gz UHRKSNZKXNNEHQ-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+][C@@H]1CCCNC1 ZINC000841042617 587938785 /nfs/dbraw/zinc/93/87/85/587938785.db2.gz LTHOSMCSECAYGJ-SNVBAGLBSA-N 0 3 224.279 1.373 20 10 BDCDHN [O-]c1c(F)cccc1CN[C@@H]1CCC[NH2+]C1 ZINC000841042617 587938786 /nfs/dbraw/zinc/93/87/86/587938786.db2.gz LTHOSMCSECAYGJ-SNVBAGLBSA-N 0 3 224.279 1.373 20 10 BDCDHN C[C@H](CCN)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841052679 587939730 /nfs/dbraw/zinc/93/97/30/587939730.db2.gz VVINBLGSRHCNNJ-MRVPVSSYSA-N 0 3 228.723 1.873 20 10 BDCDHN C[C@@H](CCN)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841052680 587940111 /nfs/dbraw/zinc/94/01/11/587940111.db2.gz VVINBLGSRHCNNJ-QMMMGPOBSA-N 0 3 228.723 1.873 20 10 BDCDHN C[C@H](CN)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841049790 587940220 /nfs/dbraw/zinc/94/02/20/587940220.db2.gz WKFULCNIHXSPNW-MRVPVSSYSA-N 0 3 228.723 1.730 20 10 BDCDHN CC1([NH2+]Cc2cccc(F)c2[O-])CCNCC1 ZINC000841065900 587941400 /nfs/dbraw/zinc/94/14/00/587941400.db2.gz UVQZBUWRHKPAST-UHFFFAOYSA-N 0 3 238.306 1.763 20 10 BDCDHN Cc1cc(Cl)cc(CN(C)CC[NH3+])c1[O-] ZINC000841100955 587946586 /nfs/dbraw/zinc/94/65/86/587946586.db2.gz PVGJSPYIGOTONO-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C)CN1 ZINC000841849468 587977675 /nfs/dbraw/zinc/97/76/75/587977675.db2.gz WHRDXWPTDQCMCG-GHMZBOCLSA-N 0 3 247.342 1.020 20 10 BDCDHN CCOc1ccc(CN2CC[NH2+]CC2)c([O-])c1 ZINC000843044888 588076098 /nfs/dbraw/zinc/07/60/98/588076098.db2.gz KRQGWNPVHAZIBP-UHFFFAOYSA-N 0 3 236.315 1.196 20 10 BDCDHN COc1cccc([O-])c1CN(C)[C@@H](C)C[NH3+] ZINC000843052293 588077169 /nfs/dbraw/zinc/07/71/69/588077169.db2.gz SHOOHMOFDFWMAL-VIFPVBQESA-N 0 3 224.304 1.180 20 10 BDCDHN C[C@H]1C[C@@H](CN)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843058046 588077890 /nfs/dbraw/zinc/07/78/90/588077890.db2.gz NZRRFYRTVYDVOW-UWVGGRQHSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@H]1C[C@@H](CN)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000843058046 588077891 /nfs/dbraw/zinc/07/78/91/588077891.db2.gz NZRRFYRTVYDVOW-UWVGGRQHSA-N 0 3 238.306 1.700 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@H](C)CO)c1[O-] ZINC000846145173 588258419 /nfs/dbraw/zinc/25/84/19/588258419.db2.gz OZECMJFTQYRFQV-BDAKNGLRSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]CC[C@@H](C)O)c1[O-] ZINC000846147947 588258798 /nfs/dbraw/zinc/25/87/98/588258798.db2.gz WFSPZEKLITUWHP-NXEZZACHSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@@H]2CCOC2)c1[O-] ZINC000846158497 588258865 /nfs/dbraw/zinc/25/88/65/588258865.db2.gz ZWTBGEHJIMZEKJ-VHSXEESVSA-N 0 3 237.299 1.840 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c([O-])c1 ZINC000846189517 588259490 /nfs/dbraw/zinc/25/94/90/588259490.db2.gz MBNFLZPEEPBSGG-GARJFASQSA-N 0 3 248.326 1.615 20 10 BDCDHN CCc1cccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c1[O-] ZINC000848900196 588417887 /nfs/dbraw/zinc/41/78/87/588417887.db2.gz CWJWVAUTDNJMAW-SMDDNHRTSA-N 0 3 247.338 1.981 20 10 BDCDHN CCc1cccc(C[N@@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000848890285 588418040 /nfs/dbraw/zinc/41/80/40/588418040.db2.gz RMSDREBCBMOGIO-CQSZACIVSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@H+]2CC[C@@](C)(O)C2)c1[O-] ZINC000848890285 588418041 /nfs/dbraw/zinc/41/80/41/588418041.db2.gz RMSDREBCBMOGIO-CQSZACIVSA-N 0 3 235.327 1.911 20 10 BDCDHN [NH2+]=C(NCc1ccccc1[O-])N1CCCCC1 ZINC000848984803 588424781 /nfs/dbraw/zinc/42/47/81/588424781.db2.gz FLNVIZMNRYHLSX-UHFFFAOYSA-N 0 3 233.315 1.902 20 10 BDCDHN COc1ccc([O-])c(CNC2=[NH+]CCCCN2)c1 ZINC000849215788 588462345 /nfs/dbraw/zinc/46/23/45/588462345.db2.gz CVPJRZVRWZZMFH-UHFFFAOYSA-N 0 3 249.314 1.230 20 10 BDCDHN CN(C)c1ccc(CNC/C=C\CO)cc1F ZINC000850357209 588538554 /nfs/dbraw/zinc/53/85/54/588538554.db2.gz BBVJNSODNRTLCL-ARJAWSKDSA-N 0 3 238.306 1.530 20 10 BDCDHN COC(CC[N@H+](C)Cc1ccccc1[O-])OC ZINC000851841705 588634188 /nfs/dbraw/zinc/63/41/88/588634188.db2.gz WVMVLAHIRIJNHS-UHFFFAOYSA-N 0 3 239.315 1.833 20 10 BDCDHN COC(CC[N@@H+](C)Cc1ccccc1[O-])OC ZINC000851841705 588634189 /nfs/dbraw/zinc/63/41/89/588634189.db2.gz WVMVLAHIRIJNHS-UHFFFAOYSA-N 0 3 239.315 1.833 20 10 BDCDHN Nc1ccc(NC(=O)C2(NC3CC3)CCC2)cc1 ZINC000852789795 588702678 /nfs/dbraw/zinc/70/26/78/588702678.db2.gz GLSKSTLRAAMXNZ-UHFFFAOYSA-N 0 3 245.326 1.882 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000865662468 589454856 /nfs/dbraw/zinc/45/48/56/589454856.db2.gz CKTCTHUHIJKBLH-AOOOYVTPSA-N 0 3 237.299 1.261 20 10 BDCDHN C[C@@H](NC(=O)[C@H](C)NC1CC1)c1ccccc1O ZINC000870988617 589706687 /nfs/dbraw/zinc/70/66/87/589706687.db2.gz VATPWBINCHFODC-ZJUUUORDSA-N 0 3 248.326 1.710 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872265248 589901956 /nfs/dbraw/zinc/90/19/56/589901956.db2.gz GEQKXLILUNODFG-TXEJJXNPSA-N 0 3 233.311 1.779 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872265248 589901958 /nfs/dbraw/zinc/90/19/58/589901958.db2.gz GEQKXLILUNODFG-TXEJJXNPSA-N 0 3 233.311 1.779 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1CN ZINC000873216547 589997855 /nfs/dbraw/zinc/99/78/55/589997855.db2.gz QEJHFQGAHXODOZ-MWLCHTKSSA-N 0 3 238.306 1.558 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2cccc(F)c2[O-])C[C@H]1CN ZINC000873216547 589997856 /nfs/dbraw/zinc/99/78/56/589997856.db2.gz QEJHFQGAHXODOZ-MWLCHTKSSA-N 0 3 238.306 1.558 20 10 BDCDHN Cc1ccc(C[N@@H+](CCO)C(C)C)c([O-])c1 ZINC000876539113 590212235 /nfs/dbraw/zinc/21/22/35/590212235.db2.gz VIYCZDPGIHIYOC-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@H+](CCO)C(C)C)c([O-])c1 ZINC000876539113 590212237 /nfs/dbraw/zinc/21/22/37/590212237.db2.gz VIYCZDPGIHIYOC-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC000876561253 590215717 /nfs/dbraw/zinc/21/57/17/590215717.db2.gz PEGNFHSLERUCNX-LLVKDONJSA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](O)C2)c([O-])c1 ZINC000876561253 590215718 /nfs/dbraw/zinc/21/57/18/590215718.db2.gz PEGNFHSLERUCNX-LLVKDONJSA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CC(C)(C)O)c([O-])c1 ZINC000876736909 590234379 /nfs/dbraw/zinc/23/43/79/590234379.db2.gz MRRXVNXANYSWSV-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[N@H+](C)CC(C)(C)O)c([O-])c1 ZINC000876736909 590234381 /nfs/dbraw/zinc/23/43/81/590234381.db2.gz MRRXVNXANYSWSV-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CC(C)(C)O ZINC000876737275 590235255 /nfs/dbraw/zinc/23/52/55/590235255.db2.gz PHWQNPFRIUAZOF-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CC(C)(C)O ZINC000876737275 590235256 /nfs/dbraw/zinc/23/52/56/590235256.db2.gz PHWQNPFRIUAZOF-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCO1 ZINC000876890189 590254238 /nfs/dbraw/zinc/25/42/38/590254238.db2.gz WVACMIWOMZWSEF-NSHDSACASA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2COCCO2)c([O-])c1 ZINC000876951892 590260201 /nfs/dbraw/zinc/26/02/01/590260201.db2.gz QRNSJVHRUIEJGY-GFCCVEGCSA-N 0 3 237.299 1.206 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCN1C ZINC000876985693 590265404 /nfs/dbraw/zinc/26/54/04/590265404.db2.gz MSIRUNSCHBAPHN-LBPRGKRZSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1nccn1CC[NH2+]Cc1c(C)cccc1[O-] ZINC000876990702 590266231 /nfs/dbraw/zinc/26/62/31/590266231.db2.gz AGJUDOMVDWNSBD-UHFFFAOYSA-N 0 3 245.326 1.995 20 10 BDCDHN CC[C@@H](CCO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877055584 590275778 /nfs/dbraw/zinc/27/57/78/590275778.db2.gz QIFCVYKRHSAHDW-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)CCO ZINC000877067472 590276722 /nfs/dbraw/zinc/27/67/22/590276722.db2.gz IEBWARNXZFDFQH-SNVBAGLBSA-N 0 3 223.316 1.809 20 10 BDCDHN COCC1([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877109610 590286587 /nfs/dbraw/zinc/28/65/87/590286587.db2.gz CSUCXPUETCGYIQ-UHFFFAOYSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)C(=O)N(C)C)c([O-])c1 ZINC000877158592 590294143 /nfs/dbraw/zinc/29/41/43/590294143.db2.gz VBJIQQPCHKDIPN-SNVBAGLBSA-N 0 3 236.315 1.267 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000877183263 590298147 /nfs/dbraw/zinc/29/81/47/590298147.db2.gz BECMAKMANVUXGM-VXGBXAGGSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c([O-])c1 ZINC000877183263 590298148 /nfs/dbraw/zinc/29/81/48/590298148.db2.gz BECMAKMANVUXGM-VXGBXAGGSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CC2(CO)CC2)c([O-])c1 ZINC000877462842 590333055 /nfs/dbraw/zinc/33/30/55/590333055.db2.gz WBBBDKBWLPGVHS-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+](C)CC2(CO)CC2)c([O-])c1 ZINC000877462842 590333058 /nfs/dbraw/zinc/33/30/58/590333058.db2.gz WBBBDKBWLPGVHS-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC000877468071 590333626 /nfs/dbraw/zinc/33/36/26/590333626.db2.gz YCMCPUSIMCDOAG-PWSUYJOCSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c([O-])c1 ZINC000877468071 590333630 /nfs/dbraw/zinc/33/36/30/590333630.db2.gz YCMCPUSIMCDOAG-PWSUYJOCSA-N 0 3 221.300 1.656 20 10 BDCDHN CCN1C[C@H]([NH2+]Cc2c(C)cccc2[O-])CC1=O ZINC000877567535 590361470 /nfs/dbraw/zinc/36/14/70/590361470.db2.gz NWDIFXVPPYNSOM-LLVKDONJSA-N 0 3 248.326 1.411 20 10 BDCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877641476 590382718 /nfs/dbraw/zinc/38/27/18/590382718.db2.gz VPOOJKYHODNENB-XYPYZODXSA-N 0 3 249.310 1.742 20 10 BDCDHN Cc1cccc(O)c1CNCc1cn[nH]n1 ZINC000877649282 590383594 /nfs/dbraw/zinc/38/35/94/590383594.db2.gz SKJUNNCLPVVCLF-UHFFFAOYSA-N 0 3 218.260 1.109 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000877652569 590385214 /nfs/dbraw/zinc/38/52/14/590385214.db2.gz KUTZFJIOQNROJL-LBPRGKRZSA-N 0 3 248.326 1.459 20 10 BDCDHN COC[C@@H](C)C[N@@H+]1Cc2cccc([O-])c2C1 ZINC000877702602 590395629 /nfs/dbraw/zinc/39/56/29/590395629.db2.gz DFKYLZKIRSRUKK-JTQLQIEISA-N 0 3 221.300 1.990 20 10 BDCDHN COC[C@@H](C)C[N@H+]1Cc2cccc([O-])c2C1 ZINC000877702602 590395633 /nfs/dbraw/zinc/39/56/33/590395633.db2.gz DFKYLZKIRSRUKK-JTQLQIEISA-N 0 3 221.300 1.990 20 10 BDCDHN COC(=O)C1(C[NH2+][C@H](C)c2ccccc2[O-])CC1 ZINC000879649422 590841941 /nfs/dbraw/zinc/84/19/41/590841941.db2.gz SAMRMIONVJDZQL-SNVBAGLBSA-N 0 3 249.310 1.996 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000128091939 590892466 /nfs/dbraw/zinc/89/24/66/590892466.db2.gz MZBRNXNWXONPHB-LLVKDONJSA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000128091939 590892469 /nfs/dbraw/zinc/89/24/69/590892469.db2.gz MZBRNXNWXONPHB-LLVKDONJSA-N 0 3 207.273 1.267 20 10 BDCDHN [NH3+]C1CCN(Cc2c([O-])cccc2Cl)CC1 ZINC000128314004 590978084 /nfs/dbraw/zinc/97/80/84/590978084.db2.gz LWBZJXQERJHQKH-UHFFFAOYSA-N 0 3 240.734 1.969 20 10 BDCDHN CN(C)c1ccc(CN2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880419992 591028685 /nfs/dbraw/zinc/02/86/85/591028685.db2.gz VKXGUSVDAHKMIH-JSGCOSHPSA-N 0 3 232.327 1.319 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1(CCO)CC1 ZINC000133054810 591761724 /nfs/dbraw/zinc/76/17/24/591761724.db2.gz NZYURPZOSSWJOP-UHFFFAOYSA-N 0 3 221.300 1.644 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC1CC1 ZINC000135718912 592033682 /nfs/dbraw/zinc/03/36/82/592033682.db2.gz WGDJEZFLUWTWHE-VHSXEESVSA-N 0 3 248.326 1.710 20 10 BDCDHN CC(C)NC(=[NH2+])NCc1ccccc1[O-] ZINC000309115328 631887696 /nfs/dbraw/zinc/88/76/96/631887696.db2.gz QIYSPKPNUNSZFY-UHFFFAOYSA-N 0 3 207.277 1.415 20 10 BDCDHN COCC[C@H](COC)[NH2+]Cc1ccccc1[O-] ZINC000310590941 632760159 /nfs/dbraw/zinc/76/01/59/632760159.db2.gz ZEOLLIZVFSGPBM-GFCCVEGCSA-N 0 3 239.315 1.533 20 10 BDCDHN C[S@](=O)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000309882317 633900229 /nfs/dbraw/zinc/90/02/29/633900229.db2.gz WEXNUAAALPCRNL-INIZCTEOSA-N 0 3 239.340 1.393 20 10 BDCDHN CN(C)c1ccc(CNCc2c[nH]cn2)cc1 ZINC000054763709 640404807 /nfs/dbraw/zinc/40/48/07/640404807.db2.gz YOQDWRFVZGCLAZ-UHFFFAOYSA-N 0 3 230.315 1.766 20 10 BDCDHN CN(C)c1ccc(CNCc2cnc[nH]2)cc1 ZINC000054763709 640404814 /nfs/dbraw/zinc/40/48/14/640404814.db2.gz YOQDWRFVZGCLAZ-UHFFFAOYSA-N 0 3 230.315 1.766 20 10 BDCDHN C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccccc1[O-] ZINC000163988614 640434285 /nfs/dbraw/zinc/43/42/85/640434285.db2.gz JRLIEGIHMNPHAY-RKDXNWHRSA-N 0 3 222.288 1.307 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c([O-])c1 ZINC000168829961 640829249 /nfs/dbraw/zinc/82/92/49/640829249.db2.gz UWARYVFRIYZWSG-VHSXEESVSA-N 0 3 236.315 1.615 20 10 BDCDHN CN1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000040716231 641535589 /nfs/dbraw/zinc/53/55/89/641535589.db2.gz MSXADGIAQGGGJO-GFCCVEGCSA-N 0 3 248.330 1.485 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1(CO)CCC1 ZINC000184359779 643205608 /nfs/dbraw/zinc/20/56/08/643205608.db2.gz XMDKSYYXDSGQSL-UHFFFAOYSA-N 0 3 221.300 1.644 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)CCF ZINC000846098165 645404641 /nfs/dbraw/zinc/40/46/41/645404641.db2.gz ZZVQXVAMNANIMR-JTQLQIEISA-N 0 3 213.252 1.202 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H](CO)CCF ZINC000846098153 645404770 /nfs/dbraw/zinc/40/47/70/645404770.db2.gz ZTMRUMLJKLHFHR-VIFPVBQESA-N 0 3 243.278 1.211 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(F)ccc1[O-] ZINC000378722357 712358381 /nfs/dbraw/zinc/35/83/81/712358381.db2.gz GWJJWRNSQHWAPX-NYRNMGCKSA-N 0 3 225.263 1.705 20 10 BDCDHN C[C@H]([NH2+]CC1(CO)COC1)c1ccccc1[O-] ZINC000717647173 712663099 /nfs/dbraw/zinc/66/30/99/712663099.db2.gz DGZIAWUUSODKAQ-JTQLQIEISA-N 0 3 237.299 1.052 20 10 BDCDHN C[C@@H]1C[C@H]([NH2+]CCO)c2c1c(F)ccc2[O-] ZINC000381259261 710613506 /nfs/dbraw/zinc/61/35/06/710613506.db2.gz RNMDJPJGVGWXFE-APPZFPTMSA-N 0 3 225.263 1.662 20 10 BDCDHN C[C@H]([NH2+]CCCn1cncn1)c1ccccc1[O-] ZINC000381847181 710745357 /nfs/dbraw/zinc/74/53/57/710745357.db2.gz ZHZFBEQBKCRFOO-NSHDSACASA-N 0 3 246.314 1.725 20 10 BDCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](C)O ZINC000386728548 711649908 /nfs/dbraw/zinc/64/99/08/711649908.db2.gz ARUAUBDJMVGVLL-GZMMTYOYSA-N 0 3 227.279 1.780 20 10 BDCDHN CCN1CC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000712546272 712443727 /nfs/dbraw/zinc/44/37/27/712443727.db2.gz CDWAZGVVKOLRBS-GFCCVEGCSA-N 0 3 220.316 1.576 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)N(C)C ZINC000036794365 712496323 /nfs/dbraw/zinc/49/63/23/712496323.db2.gz CQIVYBDWPLYURD-VHSXEESVSA-N 0 3 236.315 1.520 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@]12C[C@H]1COC2 ZINC000718009200 712736019 /nfs/dbraw/zinc/73/60/19/712736019.db2.gz QNRWSOILGSRHSX-JQWIXIFHSA-N 0 3 205.257 1.271 20 10 BDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)CN ZINC000037807398 712761514 /nfs/dbraw/zinc/76/15/14/712761514.db2.gz HHHFDYUCVYEQRD-UHFFFAOYSA-N 0 3 235.331 1.060 20 10 BDCDHN [O-]c1ccccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000719180358 712799545 /nfs/dbraw/zinc/79/95/45/712799545.db2.gz SFHDVUFXUWZPAB-UHFFFAOYSA-N 0 3 243.310 1.825 20 10 BDCDHN C[C@@H]1[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C ZINC000719579660 712812490 /nfs/dbraw/zinc/81/24/90/712812490.db2.gz IRSGNGYTYCIVTL-PWSUYJOCSA-N 0 3 220.316 1.574 20 10 BDCDHN C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000699745844 966063927 /nfs/dbraw/zinc/06/39/27/966063927.db2.gz UQIKLMXBKNDMST-KCJUWKMLSA-N 0 3 225.263 1.656 20 10 BDCDHN CO[C@@H](C)C1C[NH+](Cc2ccccc2[O-])C1 ZINC001203560899 979770030 /nfs/dbraw/zinc/77/00/30/979770030.db2.gz KBUJIUCGZBRQTA-JTQLQIEISA-N 0 3 221.300 1.859 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000690707974 958222826 /nfs/dbraw/zinc/22/28/26/958222826.db2.gz DFBGBAPAGSVAKZ-LLVKDONJSA-N 0 3 243.253 1.906 20 10 BDCDHN Cc1ccc(O)c(CN2CC(N(C)C)C2)c1 ZINC001140617726 960461738 /nfs/dbraw/zinc/46/17/38/960461738.db2.gz ZHBFYYPADZREBT-UHFFFAOYSA-N 0 3 220.316 1.446 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001140948003 960739740 /nfs/dbraw/zinc/73/97/40/960739740.db2.gz PABOUAWVCLDGAN-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H](C)C[C@H]2CO)c([O-])c1 ZINC001140948003 960739745 /nfs/dbraw/zinc/73/97/45/960739745.db2.gz PABOUAWVCLDGAN-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)NC ZINC000697916456 964680172 /nfs/dbraw/zinc/68/01/72/964680172.db2.gz LVBDZPYDOYXYNY-MWLCHTKSSA-N 0 3 236.315 1.567 20 10 BDCDHN C[C@@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1CO ZINC001203549900 966676090 /nfs/dbraw/zinc/67/60/90/966676090.db2.gz BWQMQDVNVRMICU-DGCLKSJQSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1CO ZINC001203549900 966676101 /nfs/dbraw/zinc/67/61/01/966676101.db2.gz BWQMQDVNVRMICU-DGCLKSJQSA-N 0 3 235.327 1.985 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001203550488 966681419 /nfs/dbraw/zinc/68/14/19/966681419.db2.gz VZVIWORKPTVCBF-AAEUAGOBSA-N 0 3 239.290 1.687 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](O)[C@@H](F)CC1 ZINC001203550488 966681425 /nfs/dbraw/zinc/68/14/25/966681425.db2.gz VZVIWORKPTVCBF-AAEUAGOBSA-N 0 3 239.290 1.687 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001204276121 966950422 /nfs/dbraw/zinc/95/04/22/966950422.db2.gz HOFMPJUKQPUOBL-GFCCVEGCSA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC[C@@H](O)C1 ZINC001204276121 966950428 /nfs/dbraw/zinc/95/04/28/966950428.db2.gz HOFMPJUKQPUOBL-GFCCVEGCSA-N 0 3 237.299 1.445 20 10 BDCDHN C[C@@]1(O)CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277218 966956888 /nfs/dbraw/zinc/95/68/88/966956888.db2.gz WQKGXYQBLRPXNV-GFCCVEGCSA-N 0 3 223.272 1.055 20 10 BDCDHN C[C@@]1(O)CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277218 966956899 /nfs/dbraw/zinc/95/68/99/966956899.db2.gz WQKGXYQBLRPXNV-GFCCVEGCSA-N 0 3 223.272 1.055 20 10 BDCDHN CC(=O)[C@@H]1CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278659 966957936 /nfs/dbraw/zinc/95/79/36/966957936.db2.gz HFNJLFWFJBBGRB-LLVKDONJSA-N 0 3 249.310 1.899 20 10 BDCDHN CC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278659 966957946 /nfs/dbraw/zinc/95/79/46/966957946.db2.gz HFNJLFWFJBBGRB-LLVKDONJSA-N 0 3 249.310 1.899 20 10 BDCDHN COc1cc(CN(C)C2CC2)cc(O)c1O ZINC001204342217 966974819 /nfs/dbraw/zinc/97/48/19/966974819.db2.gz JPJNLJJKLMKLQM-UHFFFAOYSA-N 0 3 223.272 1.701 20 10 BDCDHN CC(C)(O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252357035 968636713 /nfs/dbraw/zinc/63/67/13/968636713.db2.gz YNMMZMKVPAHIHP-UHFFFAOYSA-N 0 3 221.300 1.521 20 10 BDCDHN CC(C)(O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252357035 968636718 /nfs/dbraw/zinc/63/67/18/968636718.db2.gz YNMMZMKVPAHIHP-UHFFFAOYSA-N 0 3 221.300 1.521 20 10 BDCDHN CN(Cc1ccccc1O)Cc1cnccc1N ZINC001209737632 969598250 /nfs/dbraw/zinc/59/82/50/969598250.db2.gz QYWKTXCCJAKTMA-UHFFFAOYSA-N 0 3 243.310 1.832 20 10 BDCDHN [O-]c1c(O)cccc1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172234374 974476577 /nfs/dbraw/zinc/47/65/77/974476577.db2.gz LCNLVLRWKIFBAP-YOGCLGLASA-N 0 3 247.294 1.673 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172233851 974476703 /nfs/dbraw/zinc/47/67/03/974476703.db2.gz OMZAVMMJWGVZMP-VGPLMAKISA-N 0 3 247.294 1.673 20 10 BDCDHN CC(C)N1CC[C@H](NCc2ccc(N)cc2)C1=O ZINC001337837454 978519708 /nfs/dbraw/zinc/51/97/08/978519708.db2.gz BJNMPWWNQQUYDJ-ZDUSSCGKSA-N 0 3 247.342 1.368 20 10 BDCDHN OC[C@@H]1CCCN1Cc1ccc(O)c(O)c1 ZINC001203875842 982560772 /nfs/dbraw/zinc/56/07/72/982560772.db2.gz XHHDZPAFIQMWOQ-JTQLQIEISA-N 0 3 223.272 1.055 20 10 BDCDHN Cc1cccc(CN2CC3(CCN3C)C2)c1O ZINC001276080574 984811896 /nfs/dbraw/zinc/81/18/96/984811896.db2.gz QSGQRFHYTCFIPR-UHFFFAOYSA-N 0 3 232.327 1.591 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690779168 987279024 /nfs/dbraw/zinc/27/90/24/987279024.db2.gz AEVXFSPOLMLKGW-OLZOCXBDSA-N 0 3 233.311 1.861 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690779168 987279043 /nfs/dbraw/zinc/27/90/43/987279043.db2.gz AEVXFSPOLMLKGW-OLZOCXBDSA-N 0 3 233.311 1.861 20 10 BDCDHN COc1cc(C)c(C[NH2+]C[C@H](C)OC)c([O-])c1 ZINC001474619507 987779494 /nfs/dbraw/zinc/77/94/94/987779494.db2.gz WWZXOVXYGNKKEB-JTQLQIEISA-N 0 3 239.315 1.834 20 10 BDCDHN CC[C@H](C)C[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC001122172276 990275904 /nfs/dbraw/zinc/27/59/04/990275904.db2.gz BLIHYHPTGDYKMA-GXFFZTMASA-N 0 3 249.358 1.995 20 10 BDCDHN CN(Cc1c([O-])cccc1F)[C@H]1CC[N@H+](C)C1 ZINC001137837568 990858383 /nfs/dbraw/zinc/85/83/83/990858383.db2.gz MDCSMIMPRPBZNF-JTQLQIEISA-N 0 3 238.306 1.667 20 10 BDCDHN CN(Cc1c([O-])cccc1F)[C@H]1CC[N@@H+](C)C1 ZINC001137837568 990858386 /nfs/dbraw/zinc/85/83/86/990858386.db2.gz MDCSMIMPRPBZNF-JTQLQIEISA-N 0 3 238.306 1.667 20 10 BDCDHN Oc1ccc(F)cc1CN1CC[C@H](F)[C@H](O)C1 ZINC001140058317 991506285 /nfs/dbraw/zinc/50/62/85/991506285.db2.gz WWOVZAHNKOIAON-CMPLNLGQSA-N 0 3 243.253 1.436 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCCC[C@@H]1CO ZINC001140053254 991509118 /nfs/dbraw/zinc/50/91/18/991509118.db2.gz XFRNCNQTFAWGQK-GFCCVEGCSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCCC[C@@H]1CO ZINC001140053254 991509126 /nfs/dbraw/zinc/50/91/26/991509126.db2.gz XFRNCNQTFAWGQK-GFCCVEGCSA-N 0 3 239.290 1.878 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000036977399 343329100 /nfs/dbraw/zinc/32/91/00/343329100.db2.gz OQROCBIXQYSZNS-PWSUYJOCSA-N 0 3 248.326 1.712 20 10 BDCDHN CCOc1cccc(C[NH2+][C@@H](C)CO)c1[O-] ZINC000035603281 343299589 /nfs/dbraw/zinc/29/95/89/343299589.db2.gz PSOQUSGHYPBGOA-VIFPVBQESA-N 0 3 225.288 1.261 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1[O-] ZINC000038088822 343370169 /nfs/dbraw/zinc/37/01/69/343370169.db2.gz MDKUBGOFDWNOJN-WDEREUQCSA-N 0 3 222.332 1.993 20 10 BDCDHN C[C@@H](O)CNCc1ccc2c(c1)CCO2 ZINC000037363048 343343860 /nfs/dbraw/zinc/34/38/60/343343860.db2.gz IUALAJFTRVNAJV-SECBINFHSA-N 0 3 207.273 1.092 20 10 BDCDHN C[C@@H](CCN(C)C)[NH2+]Cc1ccccc1[O-] ZINC000049551970 343601961 /nfs/dbraw/zinc/60/19/61/343601961.db2.gz FZVJFKUZOJVXRQ-NSHDSACASA-N 0 3 222.332 1.822 20 10 BDCDHN Cc1ccc(O)c(CN2CCNC(=O)C[C@H]2C)c1 ZINC000377888769 178794339 /nfs/dbraw/zinc/79/43/39/178794339.db2.gz LYTNKKBEFQGABI-LLVKDONJSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2CC(=O)N(C)C2)c1[O-] ZINC000271905208 179101362 /nfs/dbraw/zinc/10/13/62/179101362.db2.gz WMVLIPZLPGIOJP-NSHDSACASA-N 0 3 234.299 1.021 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c1[O-] ZINC000124835834 179101904 /nfs/dbraw/zinc/10/19/04/179101904.db2.gz GOQNEULKJGXYLF-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN CN(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297197752 133672897 /nfs/dbraw/zinc/67/28/97/133672897.db2.gz FVCXVOTYSVJPMR-NSHDSACASA-N 0 3 220.316 1.531 20 10 BDCDHN CC(C)(CO)CC[NH2+]Cc1ccccc1[O-] ZINC000294777178 188268794 /nfs/dbraw/zinc/26/87/94/188268794.db2.gz KSQAFMLQXZNSSQ-UHFFFAOYSA-N 0 3 223.316 1.890 20 10 BDCDHN CC(C)C[C@H](N)C(=O)NCc1ccccc1O ZINC000083363469 188315606 /nfs/dbraw/zinc/31/56/06/188315606.db2.gz CXMIGFCGNWRZPK-NSHDSACASA-N 0 3 236.315 1.382 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000128233622 188330886 /nfs/dbraw/zinc/33/08/86/188330886.db2.gz XMQCEBJYXGJSSU-NWDGAFQWSA-N 0 3 235.327 1.950 20 10 BDCDHN CC[N@H+](Cc1cccc(C)c1[O-])[C@@H](C)CO ZINC000293731288 353755767 /nfs/dbraw/zinc/75/57/67/353755767.db2.gz UVBWGOVPHXIRCM-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN CC[N@@H+](Cc1cccc(C)c1[O-])[C@@H](C)CO ZINC000293731288 353755768 /nfs/dbraw/zinc/75/57/68/353755768.db2.gz UVBWGOVPHXIRCM-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000155066355 181269496 /nfs/dbraw/zinc/26/94/96/181269496.db2.gz AXLMESDZKPNYKB-LLVKDONJSA-N 0 3 234.299 1.090 20 10 BDCDHN NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000155066355 181269497 /nfs/dbraw/zinc/26/94/97/181269497.db2.gz AXLMESDZKPNYKB-LLVKDONJSA-N 0 3 234.299 1.090 20 10 BDCDHN O=C1NCCCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000036976904 182797996 /nfs/dbraw/zinc/79/79/96/182797996.db2.gz JYRBKNHMSUBPGE-NSHDSACASA-N 0 3 234.299 1.151 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CCCCO)CC2 ZINC000296616447 183052042 /nfs/dbraw/zinc/05/20/42/183052042.db2.gz YVRWHDKGTTXUQO-NSHDSACASA-N 0 3 221.300 1.742 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCCOCCO ZINC000227521883 183082870 /nfs/dbraw/zinc/08/28/70/183082870.db2.gz KWVSKAZJQUAIBU-UHFFFAOYSA-N 0 3 243.278 1.020 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000294968596 183125667 /nfs/dbraw/zinc/12/56/67/183125667.db2.gz FNVXGJWCPISELL-SKDRFNHKSA-N 0 3 239.290 1.782 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](CO)C1 ZINC000124984806 183149581 /nfs/dbraw/zinc/14/95/81/183149581.db2.gz VWOKGBNPRSQDFQ-NSHDSACASA-N 0 3 221.300 1.597 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000124984806 183149582 /nfs/dbraw/zinc/14/95/82/183149582.db2.gz VWOKGBNPRSQDFQ-NSHDSACASA-N 0 3 221.300 1.597 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000369677028 183301868 /nfs/dbraw/zinc/30/18/68/183301868.db2.gz UXTNDGUCSCVWOD-CQSZACIVSA-N 0 3 233.311 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000369677028 183301873 /nfs/dbraw/zinc/30/18/73/183301873.db2.gz UXTNDGUCSCVWOD-CQSZACIVSA-N 0 3 233.311 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179556154 183302052 /nfs/dbraw/zinc/30/20/52/183302052.db2.gz MHZMEHGZIMHYGU-FUNVUKJBSA-N 0 3 233.311 1.880 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179556154 183302056 /nfs/dbraw/zinc/30/20/56/183302056.db2.gz MHZMEHGZIMHYGU-FUNVUKJBSA-N 0 3 233.311 1.880 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000051991274 183302936 /nfs/dbraw/zinc/30/29/36/183302936.db2.gz OXIYYLGPQMPKBV-AAEUAGOBSA-N 0 3 221.300 1.785 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000071011193 183303129 /nfs/dbraw/zinc/30/31/29/183303129.db2.gz NVAMIBXXCMVUAE-NSHDSACASA-N 0 3 207.273 1.661 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCc1cn[nH]c1 ZINC000289852395 183303957 /nfs/dbraw/zinc/30/39/57/183303957.db2.gz NXDOLOLXUGVHNZ-UHFFFAOYSA-N 0 3 217.272 1.448 20 10 BDCDHN c1cc(CNC[C@H]2COCCO2)cc2c1OCC2 ZINC000038052588 183367701 /nfs/dbraw/zinc/36/77/01/183367701.db2.gz NSGCCTCJKARSJY-ZDUSSCGKSA-N 0 3 249.310 1.127 20 10 BDCDHN C[C@@H](NC1CC1)C(=O)N(C)Cc1ccccc1O ZINC000296454132 384140583 /nfs/dbraw/zinc/14/05/83/384140583.db2.gz OJCGOTAPTJKRMY-SNVBAGLBSA-N 0 3 248.326 1.491 20 10 BDCDHN COC(=O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000117340675 384171601 /nfs/dbraw/zinc/17/16/01/384171601.db2.gz BANPFEMJUNBSAT-UHFFFAOYSA-N 0 3 237.299 1.777 20 10 BDCDHN COC(=O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000117340675 384171606 /nfs/dbraw/zinc/17/16/06/384171606.db2.gz BANPFEMJUNBSAT-UHFFFAOYSA-N 0 3 237.299 1.777 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000132772099 384248783 /nfs/dbraw/zinc/24/87/83/384248783.db2.gz DDXWSEYTYWAFIY-NSHDSACASA-N 0 3 207.273 1.613 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CCOC1 ZINC000132772099 384248788 /nfs/dbraw/zinc/24/87/88/384248788.db2.gz DDXWSEYTYWAFIY-NSHDSACASA-N 0 3 207.273 1.613 20 10 BDCDHN CCN(CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000158657819 384254812 /nfs/dbraw/zinc/25/48/12/384254812.db2.gz JEQVHWQHEMBHMI-UHFFFAOYSA-N 0 3 240.322 1.706 20 10 BDCDHN C[C@H]([NH2+]CC(C)(C)O)c1ccccc1[O-] ZINC000083461040 384306408 /nfs/dbraw/zinc/30/64/08/384306408.db2.gz DBRYTHBIAFUBQP-VIFPVBQESA-N 0 3 209.289 1.814 20 10 BDCDHN COC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094618276 384306721 /nfs/dbraw/zinc/30/67/21/384306721.db2.gz SEPVVXWBBRPPTM-SCZZXKLOSA-N 0 3 243.278 1.189 20 10 BDCDHN C[C@@H](CO)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000083215434 384290386 /nfs/dbraw/zinc/29/03/86/384290386.db2.gz VZSFWQZCKKDXQX-NXEZZACHSA-N 0 3 209.289 1.671 20 10 BDCDHN C[C@H](CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000083215428 384290419 /nfs/dbraw/zinc/29/04/19/384290419.db2.gz VZSFWQZCKKDXQX-UWVGGRQHSA-N 0 3 209.289 1.671 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@]2(C)CCOC2)c1 ZINC000120219939 384337029 /nfs/dbraw/zinc/33/70/29/384337029.db2.gz LVDQYCYSVHYLAD-CYBMUJFWSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CO)c([O-])c1 ZINC000035602321 384411729 /nfs/dbraw/zinc/41/17/29/384411729.db2.gz VXJYERNHSDQEKW-NXEZZACHSA-N 0 3 209.289 1.732 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)O)c([O-])c1 ZINC000035601540 384412515 /nfs/dbraw/zinc/41/25/15/384412515.db2.gz YPIMBHDITIXSNT-ZJUUUORDSA-N 0 3 209.289 1.732 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000035629070 384418167 /nfs/dbraw/zinc/41/81/67/384418167.db2.gz WFPWAOXCHZCBEI-ZJUUUORDSA-N 0 3 209.289 1.732 20 10 BDCDHN C[C@@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000120821369 384384050 /nfs/dbraw/zinc/38/40/50/384384050.db2.gz GJLMVLIBOKYEQM-GWCFXTLKSA-N 0 3 233.311 1.889 20 10 BDCDHN CC[C@](C)(CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000080886384 384589934 /nfs/dbraw/zinc/58/99/34/384589934.db2.gz TWPRLAVIYIFZAK-CYBMUJFWSA-N 0 3 239.315 1.651 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]CCOCCO)c([O-])c1 ZINC000020199202 384595499 /nfs/dbraw/zinc/59/54/99/384595499.db2.gz KNXFRXBAPQDZND-LLVKDONJSA-N 0 3 239.315 1.360 20 10 BDCDHN C[C@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111419 385074965 /nfs/dbraw/zinc/07/49/65/385074965.db2.gz IMBXBDCOBBKTQQ-IUCAKERBSA-N 0 3 227.279 1.953 20 10 BDCDHN C[C@@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111424 385076179 /nfs/dbraw/zinc/07/61/79/385076179.db2.gz IJJORDKEBAVHLH-BDAKNGLRSA-N 0 3 227.279 1.810 20 10 BDCDHN Cc1nnc(CC[NH2+]Cc2ccccc2[O-])s1 ZINC000289728224 385304265 /nfs/dbraw/zinc/30/42/65/385304265.db2.gz FZOSRIMLKKHOOE-UHFFFAOYSA-N 0 3 249.339 1.884 20 10 BDCDHN COC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179582928 385475690 /nfs/dbraw/zinc/47/56/90/385475690.db2.gz WCFBBGSXOXONKM-AWEZNQCLSA-N 0 3 249.310 1.777 20 10 BDCDHN COC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179582928 385475693 /nfs/dbraw/zinc/47/56/93/385475693.db2.gz WCFBBGSXOXONKM-AWEZNQCLSA-N 0 3 249.310 1.777 20 10 BDCDHN C[C@@H](CCO)CC[NH2+]Cc1ccccc1[O-] ZINC000295149503 385459367 /nfs/dbraw/zinc/45/93/67/385459367.db2.gz QZLUPBGCGRUVFY-LLVKDONJSA-N 0 3 223.316 1.890 20 10 BDCDHN C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccccc1[O-] ZINC000272864230 385945029 /nfs/dbraw/zinc/94/50/29/385945029.db2.gz NLFPUZFQVHALLO-GHMZBOCLSA-N 0 3 246.314 1.723 20 10 BDCDHN CCOc1cccc(C[N@H+](C)[C@@H](C)CO)c1[O-] ZINC000289386200 386296120 /nfs/dbraw/zinc/29/61/20/386296120.db2.gz DFJISQKCNJBOGQ-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1cccc(C[N@@H+](C)[C@@H](C)CO)c1[O-] ZINC000289386200 386296125 /nfs/dbraw/zinc/29/61/25/386296125.db2.gz DFJISQKCNJBOGQ-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CO[C@H](C)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000289195648 386271318 /nfs/dbraw/zinc/27/13/18/386271318.db2.gz BBNARZKMJSASDL-SECBINFHSA-N 0 3 227.279 1.998 20 10 BDCDHN CO[C@H](C)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000289195648 386271323 /nfs/dbraw/zinc/27/13/23/386271323.db2.gz BBNARZKMJSASDL-SECBINFHSA-N 0 3 227.279 1.998 20 10 BDCDHN CCN(CC[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000227550929 386492755 /nfs/dbraw/zinc/49/27/55/386492755.db2.gz XYVGZOHNERAGPY-UHFFFAOYSA-N 0 3 234.343 1.966 20 10 BDCDHN CO[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000234903072 388363703 /nfs/dbraw/zinc/36/37/03/388363703.db2.gz BJRIDLNRQGBHAX-NSHDSACASA-N 0 3 207.273 1.613 20 10 BDCDHN CO[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000234903072 388363705 /nfs/dbraw/zinc/36/37/05/388363705.db2.gz BJRIDLNRQGBHAX-NSHDSACASA-N 0 3 207.273 1.613 20 10 BDCDHN CC(C)(O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297880737 388431501 /nfs/dbraw/zinc/43/15/01/388431501.db2.gz VBZHQOMRGPWBKQ-JTQLQIEISA-N 0 3 221.300 1.740 20 10 BDCDHN CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179554753 172386657 /nfs/dbraw/zinc/38/66/57/172386657.db2.gz WGESFGIBZGPZGY-GFCCVEGCSA-N 0 3 248.326 1.445 20 10 BDCDHN CN(C)C(=O)[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179554753 172386659 /nfs/dbraw/zinc/38/66/59/172386659.db2.gz WGESFGIBZGPZGY-GFCCVEGCSA-N 0 3 248.326 1.445 20 10 BDCDHN CN(C)C/C=C/C(=O)NCc1ccccc1O ZINC000269149866 172399201 /nfs/dbraw/zinc/39/92/01/172399201.db2.gz PKVIMSTUTXFXME-VMPITWQZSA-N 0 3 234.299 1.126 20 10 BDCDHN CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179574328 173298429 /nfs/dbraw/zinc/29/84/29/173298429.db2.gz RNKOTJNGXFBYQS-GFCCVEGCSA-N 0 3 248.326 1.350 20 10 BDCDHN CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179574328 173298430 /nfs/dbraw/zinc/29/84/30/173298430.db2.gz RNKOTJNGXFBYQS-GFCCVEGCSA-N 0 3 248.326 1.350 20 10 BDCDHN COCC[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000281375850 174389421 /nfs/dbraw/zinc/38/94/21/174389421.db2.gz VWBFAGWCRUTODP-NSHDSACASA-N 0 3 243.278 1.018 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H](C)OC)c1 ZINC000289649718 175157066 /nfs/dbraw/zinc/15/70/66/175157066.db2.gz MTLAAJYCEUUOGK-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H](C)OC)c1 ZINC000289649718 175157067 /nfs/dbraw/zinc/15/70/67/175157067.db2.gz MTLAAJYCEUUOGK-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN COc1ccc(O)c(CN2C[C@H](O)C3(CC3)C2)c1 ZINC000375286503 175158069 /nfs/dbraw/zinc/15/80/69/175158069.db2.gz JOMKAOAHLXWGQQ-ZDUSSCGKSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000375286503 175158071 /nfs/dbraw/zinc/15/80/71/175158071.db2.gz JOMKAOAHLXWGQQ-ZDUSSCGKSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000375286503 175158072 /nfs/dbraw/zinc/15/80/72/175158072.db2.gz JOMKAOAHLXWGQQ-ZDUSSCGKSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC(C)(C)O)c1 ZINC000083461051 175158562 /nfs/dbraw/zinc/15/85/62/175158562.db2.gz CUDPIEKCRMJIAW-UHFFFAOYSA-N 0 3 225.288 1.261 20 10 BDCDHN COc1ccc(O)c(CN[C@@H](C)CF)c1 ZINC000290279746 175158821 /nfs/dbraw/zinc/15/88/21/175158821.db2.gz YYWRAWUWYAAKBK-QMMMGPOBSA-N 0 3 213.252 1.848 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2CCN(C)C2)c1[O-] ZINC000042544200 175268427 /nfs/dbraw/zinc/26/84/27/175268427.db2.gz UXOJSZFATRWJHK-NSHDSACASA-N 0 3 236.315 1.195 20 10 BDCDHN C[C@@H]1CN(Cc2ccc(N)cc2)CCCO1 ZINC000061912848 176304086 /nfs/dbraw/zinc/30/40/86/176304086.db2.gz BQWQYPRTWLEMNY-LLVKDONJSA-N 0 3 220.316 1.880 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000112011583 177163771 /nfs/dbraw/zinc/16/37/71/177163771.db2.gz WFGYCGFUFQWLMT-VIFPVBQESA-N 0 3 235.283 1.963 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000112011583 177163772 /nfs/dbraw/zinc/16/37/72/177163772.db2.gz WFGYCGFUFQWLMT-VIFPVBQESA-N 0 3 235.283 1.963 20 10 BDCDHN C[C@H]1C[C@@H]1C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000134228095 177345454 /nfs/dbraw/zinc/34/54/54/177345454.db2.gz YRVMBJJOFHNVQQ-DTWKUNHWSA-N 0 3 235.283 1.867 20 10 BDCDHN CCC[C@@](C)(N)C(=O)Nc1ccc(N)cc1 ZINC000294699605 487778934 /nfs/dbraw/zinc/77/89/34/487778934.db2.gz GPQNSQWNUDBQOK-GFCCVEGCSA-N 0 3 221.304 1.725 20 10 BDCDHN CCOc1ccc(C[NH2+]CC2COC2)c([O-])c1 ZINC000527817194 323685814 /nfs/dbraw/zinc/68/58/14/323685814.db2.gz LKRAXRWXZVQGJQ-UHFFFAOYSA-N 0 3 237.299 1.527 20 10 BDCDHN Cc1cc([O-])c(CN2CC[NH2+]CC2)c(Cl)c1 ZINC000217083496 582805477 /nfs/dbraw/zinc/80/54/77/582805477.db2.gz QJLSKTYMIRGWPJ-UHFFFAOYSA-N 0 3 240.734 1.759 20 10 BDCDHN CNC[C@H](C)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000854231720 583083760 /nfs/dbraw/zinc/08/37/60/583083760.db2.gz KSAWDYFCXHIHRK-JGVFFNPUSA-N 0 3 244.285 1.929 20 10 BDCDHN COc1ccc(CNC[C@@H]2COCO2)cc1C ZINC000894871697 583540332 /nfs/dbraw/zinc/54/03/32/583540332.db2.gz VSVUWUZYDMYJFO-GFCCVEGCSA-N 0 3 237.299 1.466 20 10 BDCDHN CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c([O-])c1 ZINC000895645428 583700390 /nfs/dbraw/zinc/70/03/90/583700390.db2.gz BZBLIGQYEDUEQO-BXUZGUMPSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1ccc(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c([O-])c1 ZINC000895645428 583700391 /nfs/dbraw/zinc/70/03/91/583700391.db2.gz BZBLIGQYEDUEQO-BXUZGUMPSA-N 0 3 249.310 1.358 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([O-])c1 ZINC000895780124 583728594 /nfs/dbraw/zinc/72/85/94/583728594.db2.gz BNUHBMHTIXSZJB-YUTCNCBUSA-N 0 3 247.338 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c([O-])c1 ZINC000895780124 583728595 /nfs/dbraw/zinc/72/85/95/583728595.db2.gz BNUHBMHTIXSZJB-YUTCNCBUSA-N 0 3 247.338 1.903 20 10 BDCDHN COCC1C[NH+](Cc2c(C)cccc2[O-])C1 ZINC000895969891 583755678 /nfs/dbraw/zinc/75/56/78/583755678.db2.gz QQQNZOHSXYQRDA-UHFFFAOYSA-N 0 3 221.300 1.779 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896383886 583798366 /nfs/dbraw/zinc/79/83/66/583798366.db2.gz GDFMPMQGEJJFPT-LBPRGKRZSA-N 0 3 249.310 1.587 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](C2OCCO2)C1 ZINC000896383886 583798367 /nfs/dbraw/zinc/79/83/67/583798367.db2.gz GDFMPMQGEJJFPT-LBPRGKRZSA-N 0 3 249.310 1.587 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCN2C)c([O-])c1 ZINC000896594794 583816927 /nfs/dbraw/zinc/81/69/27/583816927.db2.gz DAOGVPZQDGZFEE-LBPRGKRZSA-N 0 3 220.316 1.494 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccccc1[O-] ZINC000120855947 583850516 /nfs/dbraw/zinc/85/05/16/583850516.db2.gz AHWDXIFYPVROOO-MWLCHTKSSA-N 0 3 234.299 1.274 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC000897675614 584035500 /nfs/dbraw/zinc/03/55/00/584035500.db2.gz AUWIAENZJMZSSZ-ZWNOBZJWSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC000897675614 584035501 /nfs/dbraw/zinc/03/55/01/584035501.db2.gz AUWIAENZJMZSSZ-ZWNOBZJWSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000858495258 588960525 /nfs/dbraw/zinc/96/05/25/588960525.db2.gz YWMIUNFAFKGXAJ-GMTAPVOTSA-N 0 3 248.326 1.615 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]CCCON)c([O-])c1 ZINC000902425358 584593836 /nfs/dbraw/zinc/59/38/36/584593836.db2.gz MQLAJLMEHIBJOY-SNVBAGLBSA-N 0 3 224.304 1.632 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCCOC2)c([O-])c1 ZINC000877007895 584888801 /nfs/dbraw/zinc/88/88/01/584888801.db2.gz HSEKWUOPSDDBIK-LBPRGKRZSA-N 0 3 221.300 1.969 20 10 BDCDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[O-] ZINC000817977879 584994290 /nfs/dbraw/zinc/99/42/90/584994290.db2.gz QZJXHFUCAAMQAY-MVVXRAEJSA-N 0 3 218.300 1.261 20 10 BDCDHN CO[C@@H]1COC[C@@H]1NCc1cccc(C)c1O ZINC000839193118 585097805 /nfs/dbraw/zinc/09/78/05/585097805.db2.gz PKIGNLWPLWGNRP-NWDGAFQWSA-N 0 3 237.299 1.204 20 10 BDCDHN CO[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(C)c1[O-] ZINC000839193118 585097806 /nfs/dbraw/zinc/09/78/06/585097806.db2.gz PKIGNLWPLWGNRP-NWDGAFQWSA-N 0 3 237.299 1.204 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)OC ZINC000742381125 585125388 /nfs/dbraw/zinc/12/53/88/585125388.db2.gz XRJRZGNENMIIEZ-UHFFFAOYSA-N 0 3 239.315 1.915 20 10 BDCDHN CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000765794964 585492740 /nfs/dbraw/zinc/49/27/40/585492740.db2.gz GOLGTKMDZJJSCX-NEPJUHHUSA-N 0 3 248.326 1.397 20 10 BDCDHN C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccccc1[O-] ZINC000768400931 585538030 /nfs/dbraw/zinc/53/80/30/585538030.db2.gz BODBABPFVDYDNJ-NSHDSACASA-N 0 3 245.326 1.847 20 10 BDCDHN CCC[N@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441263 585538546 /nfs/dbraw/zinc/53/85/46/585538546.db2.gz YAHCFTOKPNERCU-LBPRGKRZSA-N 0 3 237.299 1.660 20 10 BDCDHN CCC[N@@H+](C)Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000768441263 585538547 /nfs/dbraw/zinc/53/85/47/585538547.db2.gz YAHCFTOKPNERCU-LBPRGKRZSA-N 0 3 237.299 1.660 20 10 BDCDHN C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccccc1[O-] ZINC000775987311 585688944 /nfs/dbraw/zinc/68/89/44/585688944.db2.gz VKSQXHBMKHJWEF-NWDGAFQWSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@@H]1CN(C)[C@@H](C)C[N@H+]1Cc1ccccc1[O-] ZINC000775987311 585688945 /nfs/dbraw/zinc/68/89/45/585688945.db2.gz VKSQXHBMKHJWEF-NWDGAFQWSA-N 0 3 234.343 1.917 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](O)C[C@H]2C)cc1C ZINC000788271149 585920686 /nfs/dbraw/zinc/92/06/86/585920686.db2.gz ZFINUBFKVCKIBR-DGCLKSJQSA-N 0 3 235.327 1.964 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](O)C[C@H]2C)cc1C ZINC000788271149 585920687 /nfs/dbraw/zinc/92/06/87/585920687.db2.gz ZFINUBFKVCKIBR-DGCLKSJQSA-N 0 3 235.327 1.964 20 10 BDCDHN CCOc1ccc([O-])c(C[N@H+](C)CCCO)c1 ZINC000799739686 586195210 /nfs/dbraw/zinc/19/52/10/586195210.db2.gz OTNGNGFYJWYQPC-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCOc1ccc([O-])c(C[N@@H+](C)CCCO)c1 ZINC000799739686 586195212 /nfs/dbraw/zinc/19/52/12/586195212.db2.gz OTNGNGFYJWYQPC-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)CCOCCO)c1 ZINC000800544825 586224849 /nfs/dbraw/zinc/22/48/49/586224849.db2.gz GFDUTLLGRJEXIC-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)CCOCCO)c1 ZINC000800544825 586224850 /nfs/dbraw/zinc/22/48/50/586224850.db2.gz GFDUTLLGRJEXIC-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COc1ccc(O)c(CN2CC(C)C2)c1 ZINC000802651661 586307566 /nfs/dbraw/zinc/30/75/66/586307566.db2.gz VZOSXVJTVHHTRV-UHFFFAOYSA-N 0 3 207.273 1.853 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H](O)C1CC1 ZINC000809750928 586517148 /nfs/dbraw/zinc/51/71/48/586517148.db2.gz CAMILIZLYVBQHG-CYBMUJFWSA-N 0 3 221.300 1.595 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H](O)C1CC1 ZINC000809750928 586517151 /nfs/dbraw/zinc/51/71/51/586517151.db2.gz CAMILIZLYVBQHG-CYBMUJFWSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]([NH2+]C1CCNCC1)c1ccc(F)cc1[O-] ZINC000817934968 586843106 /nfs/dbraw/zinc/84/31/06/586843106.db2.gz DEGQFFIJEMJYHE-SECBINFHSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@H](NC[C@H]1CCC[NH2+]1)c1cc(F)ccc1[O-] ZINC000817951619 586847717 /nfs/dbraw/zinc/84/77/17/586847717.db2.gz HOSVXMSNMAKAKG-GXSJLCMTSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@@H]1C[C@@H](NC2C[NH2+]C2)c2c1c(F)ccc2[O-] ZINC000817955440 586849884 /nfs/dbraw/zinc/84/98/84/586849884.db2.gz AVZBVQWXOLELBU-GMSGAONNSA-N 0 3 236.290 1.641 20 10 BDCDHN COCCNCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000817965749 586855536 /nfs/dbraw/zinc/85/55/36/586855536.db2.gz ZQCVKABJQUCHKS-NSHDSACASA-N 0 3 238.331 1.279 20 10 BDCDHN CCOc1ccc(C[NH2+][C@@H]2CCOC2)c([O-])c1 ZINC000818235825 586881565 /nfs/dbraw/zinc/88/15/65/586881565.db2.gz GJHWBKUNRGMEAX-LLVKDONJSA-N 0 3 237.299 1.669 20 10 BDCDHN CC1(C)CN[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556488 586900654 /nfs/dbraw/zinc/90/06/54/586900654.db2.gz VGCAZAAFDWBBAC-JTQLQIEISA-N 0 3 219.288 1.205 20 10 BDCDHN COC[C@@](C)(O)CC[NH2+]Cc1ccccc1[O-] ZINC000824559384 587276276 /nfs/dbraw/zinc/27/62/76/587276276.db2.gz RXMSVTFVHDKYFY-ZDUSSCGKSA-N 0 3 239.315 1.269 20 10 BDCDHN C[C@@H](O)C1(NCc2ccc3c(c2)CCO3)CC1 ZINC000827579904 587389950 /nfs/dbraw/zinc/38/99/50/587389950.db2.gz LANARPURSWWWON-SNVBAGLBSA-N 0 3 233.311 1.625 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@]1(C)CO ZINC000827700459 587397620 /nfs/dbraw/zinc/39/76/20/587397620.db2.gz UKCZMKMPXNKFOI-FZMZJTMJSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@]1(C)CO ZINC000827700459 587397621 /nfs/dbraw/zinc/39/76/21/587397621.db2.gz UKCZMKMPXNKFOI-FZMZJTMJSA-N 0 3 235.327 1.843 20 10 BDCDHN O=CN1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000827877053 587406831 /nfs/dbraw/zinc/40/68/31/587406831.db2.gz GXLCQEOWNXJSRJ-UHFFFAOYSA-N 0 3 234.299 1.056 20 10 BDCDHN O=CN1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000827877053 587406833 /nfs/dbraw/zinc/40/68/33/587406833.db2.gz GXLCQEOWNXJSRJ-UHFFFAOYSA-N 0 3 234.299 1.056 20 10 BDCDHN Nc1ccc(NC(=O)[C@H](N)CC(F)F)cc1 ZINC000832244012 587652392 /nfs/dbraw/zinc/65/23/92/587652392.db2.gz FDZCZZCBFUYEEF-MRVPVSSYSA-N 0 3 229.230 1.190 20 10 BDCDHN CC(C)C(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832284804 587653410 /nfs/dbraw/zinc/65/34/10/587653410.db2.gz MSFTVTFPJIOEIO-CYBMUJFWSA-N 0 3 249.358 1.525 20 10 BDCDHN C[C@H](CNC(=O)c1cc([O-])cs1)C[NH+](C)C ZINC000832565106 587666916 /nfs/dbraw/zinc/66/69/16/587666916.db2.gz PGFXLJBKFQQFLM-MRVPVSSYSA-N 0 3 242.344 1.381 20 10 BDCDHN COc1cccc([O-])c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026422 587935564 /nfs/dbraw/zinc/93/55/64/587935564.db2.gz BEMROARJHZPSSO-PWSUYJOCSA-N 0 3 248.326 1.195 20 10 BDCDHN NC[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000841029670 587935899 /nfs/dbraw/zinc/93/58/99/587935899.db2.gz YDFLDGCFJFOXRH-LLVKDONJSA-N 0 3 240.734 1.873 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H](CN)C2CC2)c1 ZINC000841027763 587936514 /nfs/dbraw/zinc/93/65/14/587936514.db2.gz FXVQMQJGRDOLAB-GFCCVEGCSA-N 0 3 220.316 1.528 20 10 BDCDHN C[C@@H](CCN)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841052049 587940275 /nfs/dbraw/zinc/94/02/75/587940275.db2.gz UFVLYIXZSNREDL-QMMMGPOBSA-N 0 3 228.723 1.873 20 10 BDCDHN C[C@H](C[NH3+])NCc1c([O-])cccc1Cl ZINC000841059374 587940549 /nfs/dbraw/zinc/94/05/49/587940549.db2.gz BNMJYAIMILLHNQ-SSDOTTSWSA-N 0 3 214.696 1.482 20 10 BDCDHN C[C@H](CN)[NH2+]Cc1c([O-])cccc1Cl ZINC000841059374 587940550 /nfs/dbraw/zinc/94/05/50/587940550.db2.gz BNMJYAIMILLHNQ-SSDOTTSWSA-N 0 3 214.696 1.482 20 10 BDCDHN C[C@H](CN)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841061349 587941294 /nfs/dbraw/zinc/94/12/94/587941294.db2.gz YIIGYDIVIJJGJH-ZCFIWIBFSA-N 0 3 232.686 1.622 20 10 BDCDHN C[C@@H]1CCNC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841059769 587941437 /nfs/dbraw/zinc/94/14/37/587941437.db2.gz WTTCMAKJPSOOEQ-SKDRFNHKSA-N 0 3 238.306 1.619 20 10 BDCDHN C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(F)c1[O-] ZINC000841059769 587941438 /nfs/dbraw/zinc/94/14/38/587941438.db2.gz WTTCMAKJPSOOEQ-SKDRFNHKSA-N 0 3 238.306 1.619 20 10 BDCDHN C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000841758136 587974442 /nfs/dbraw/zinc/97/44/42/587974442.db2.gz DAOFVWHLHSGDGZ-GYSYKLTISA-N 0 3 233.311 1.883 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841890361 587981843 /nfs/dbraw/zinc/98/18/43/587981843.db2.gz ADRYYXJFSOKBCG-GSJFWJNXSA-N 0 3 237.299 1.404 20 10 BDCDHN [NH3+]C[C@H]1CCCN(Cc2cccc(F)c2[O-])C1 ZINC000843046926 588075946 /nfs/dbraw/zinc/07/59/46/588075946.db2.gz FMUKHBMASMQTNV-SNVBAGLBSA-N 0 3 238.306 1.702 20 10 BDCDHN Cc1cc(Cl)cc(CN(C)C2C[NH2+]C2)c1[O-] ZINC000843124621 588083661 /nfs/dbraw/zinc/08/36/61/588083661.db2.gz HTQHMVQGGBQSKF-UHFFFAOYSA-N 0 3 240.734 1.758 20 10 BDCDHN COc1ccc(N(C)CCN(C)CCO)cc1 ZINC000844401736 588190302 /nfs/dbraw/zinc/19/03/02/588190302.db2.gz PDFCMKPQDPGEJS-UHFFFAOYSA-N 0 3 238.331 1.056 20 10 BDCDHN COC(=O)CC1([NH2+]Cc2ccccc2[O-])CC1 ZINC000846026886 588254000 /nfs/dbraw/zinc/25/40/00/588254000.db2.gz HSCDQGLHPNAYNP-UHFFFAOYSA-N 0 3 235.283 1.578 20 10 BDCDHN C[C@@H](CCO)[N@H+](C)Cc1ccccc1[O-] ZINC000846110945 588257399 /nfs/dbraw/zinc/25/73/99/588257399.db2.gz LNVLAFAKOHTMKA-JTQLQIEISA-N 0 3 209.289 1.595 20 10 BDCDHN C[C@@H](CCO)[N@@H+](C)Cc1ccccc1[O-] ZINC000846110945 588257400 /nfs/dbraw/zinc/25/74/00/588257400.db2.gz LNVLAFAKOHTMKA-JTQLQIEISA-N 0 3 209.289 1.595 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]C[C@@H](C)O)c1[O-] ZINC000846137990 588258334 /nfs/dbraw/zinc/25/83/34/588258334.db2.gz QEOVCYYSVFFBJN-BDAKNGLRSA-N 0 3 225.288 1.432 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850387953 588543303 /nfs/dbraw/zinc/54/33/03/588543303.db2.gz DOZKJYXMXWRGNY-QWHCGFSZSA-N 0 3 233.311 1.785 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@H](O)C1)CC2 ZINC000850579050 588561741 /nfs/dbraw/zinc/56/17/41/588561741.db2.gz RHOLVERVFLHICK-GMTAPVOTSA-N 0 3 219.284 1.492 20 10 BDCDHN CC[C@@H]1[NH2+]CC[C@H]1NCc1ccccc1[O-] ZINC000863483135 589292843 /nfs/dbraw/zinc/29/28/43/589292843.db2.gz LCCZKOIGKNPJLT-NWDGAFQWSA-N 0 3 220.316 1.622 20 10 BDCDHN CCOc1ccc(CN(CC)CC[NH3+])c([O-])c1 ZINC000863644957 589306712 /nfs/dbraw/zinc/30/67/12/589306712.db2.gz NHZCHEMUPIUBSW-UHFFFAOYSA-N 0 3 238.331 1.572 20 10 BDCDHN C[C@H]([NH2+]CC1(CO)CC1)c1cc(F)ccc1[O-] ZINC000122329268 589581491 /nfs/dbraw/zinc/58/14/91/589581491.db2.gz PUUDZRQBVGGENC-VIFPVBQESA-N 0 3 239.290 1.954 20 10 BDCDHN CCOc1cccc(C[NH2+][C@H](C)COC)c1[O-] ZINC000019904645 590041154 /nfs/dbraw/zinc/04/11/54/590041154.db2.gz HDZXXOYPISHPSE-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000876511311 590205506 /nfs/dbraw/zinc/20/55/06/590205506.db2.gz DRDIPKPRSFGEAH-GFCCVEGCSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000876511311 590205507 /nfs/dbraw/zinc/20/55/07/590205507.db2.gz DRDIPKPRSFGEAH-GFCCVEGCSA-N 0 3 248.326 1.398 20 10 BDCDHN CNC(=O)[C@H]1CCCN1Cc1ccc(C)cc1O ZINC000876619903 590223278 /nfs/dbraw/zinc/22/32/78/590223278.db2.gz FNLHZRPXDJMPEF-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC000876659834 590227207 /nfs/dbraw/zinc/22/72/07/590227207.db2.gz HISFNTPZNJYKRH-LLVKDONJSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC000876659834 590227208 /nfs/dbraw/zinc/22/72/08/590227208.db2.gz HISFNTPZNJYKRH-LLVKDONJSA-N 0 3 221.300 1.515 20 10 BDCDHN COCCOCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876968975 590262540 /nfs/dbraw/zinc/26/25/40/590262540.db2.gz LNOCQPUMRZAMSD-UHFFFAOYSA-N 0 3 239.315 1.453 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000876994749 590266793 /nfs/dbraw/zinc/26/67/93/590266793.db2.gz MHTRMQQKCJGADV-JTQLQIEISA-N 0 3 234.299 1.021 20 10 BDCDHN CC[S@@](=O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877041120 590273368 /nfs/dbraw/zinc/27/33/68/590273368.db2.gz IDTAISBXGWEIRS-MRXNPFEDSA-N 0 3 241.356 1.559 20 10 BDCDHN CC[S@](=O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877041835 590273459 /nfs/dbraw/zinc/27/34/59/590273459.db2.gz PIGYRAFWOYOVIW-INIZCTEOSA-N 0 3 241.356 1.559 20 10 BDCDHN Cc1ccc(C[NH2+]C(C)(C)CCO)c([O-])c1 ZINC000877042802 590273541 /nfs/dbraw/zinc/27/35/41/590273541.db2.gz XKFXCLVHPOMRFO-UHFFFAOYSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CC(N)=O ZINC000877094856 590281442 /nfs/dbraw/zinc/28/14/42/590281442.db2.gz UWNYBMFZFJVICU-SECBINFHSA-N 0 3 222.288 1.054 20 10 BDCDHN Cc1ccc(C[NH2+][C@]2(C)CCOC2)c([O-])c1 ZINC000877121185 590289071 /nfs/dbraw/zinc/28/90/71/590289071.db2.gz PXYIFXMJMUZTGI-CYBMUJFWSA-N 0 3 221.300 1.969 20 10 BDCDHN COC[C@H](O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877123843 590289450 /nfs/dbraw/zinc/28/94/50/590289450.db2.gz PRAWLXJUTGXBPG-LLVKDONJSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H](C)N(C)C)c([O-])c1 ZINC000877150630 590292704 /nfs/dbraw/zinc/29/27/04/590292704.db2.gz XTPZXBVRLRRIPO-NSHDSACASA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c([O-])c1 ZINC000877183262 590298327 /nfs/dbraw/zinc/29/83/27/590298327.db2.gz BECMAKMANVUXGM-RYUDHWBXSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c([O-])c1 ZINC000877183262 590298328 /nfs/dbraw/zinc/29/83/28/590298328.db2.gz BECMAKMANVUXGM-RYUDHWBXSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)c([O-])c1 ZINC000877195862 590299696 /nfs/dbraw/zinc/29/96/96/590299696.db2.gz PBDIYTNQKWHZFV-QWRGUYRKSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000877433983 590327111 /nfs/dbraw/zinc/32/71/11/590327111.db2.gz LCLVUBDQFLSKHU-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000877433983 590327114 /nfs/dbraw/zinc/32/71/14/590327114.db2.gz LCLVUBDQFLSKHU-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1(CCO)CC1 ZINC000877442429 590329337 /nfs/dbraw/zinc/32/93/37/590329337.db2.gz IFXOCJZIDJEKRS-UHFFFAOYSA-N 0 3 235.327 1.953 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H](C)O ZINC000877476901 590335749 /nfs/dbraw/zinc/33/57/49/590335749.db2.gz QRIYGZXHLFUKDD-JTQLQIEISA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c([O-])c1 ZINC000877499635 590341105 /nfs/dbraw/zinc/34/11/05/590341105.db2.gz RNAYJPSLONIVJV-GXFFZTMASA-N 0 3 248.326 1.315 20 10 BDCDHN C[C@H]([NH2+]CCCn1ccnn1)c1ccccc1[O-] ZINC000126565826 590350371 /nfs/dbraw/zinc/35/03/71/590350371.db2.gz UVRUYDAYRYOFOX-NSHDSACASA-N 0 3 246.314 1.725 20 10 BDCDHN CCN1C[C@H]([NH2+]Cc2ccc(C)cc2[O-])CC1=O ZINC000877566891 590361980 /nfs/dbraw/zinc/36/19/80/590361980.db2.gz BNJRGGNUFSYVLL-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H]1CCCNC1=O ZINC000877586358 590368214 /nfs/dbraw/zinc/36/82/14/590368214.db2.gz BNJGKXWOYARNTA-NSHDSACASA-N 0 3 248.326 1.316 20 10 BDCDHN COC(=O)C1(C)CN(Cc2ccc(C)cc2O)C1 ZINC000877599471 590371350 /nfs/dbraw/zinc/37/13/50/590371350.db2.gz AQXBZJRTKIOAFI-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C/C=C\CO ZINC000877624791 590377202 /nfs/dbraw/zinc/37/72/02/590377202.db2.gz RWSZOXLBBNWJBU-IHWYPQMZSA-N 0 3 207.273 1.339 20 10 BDCDHN Cc1ccc(C[NH2+]C2CSC2)c([O-])c1 ZINC000877634593 590380182 /nfs/dbraw/zinc/38/01/82/590380182.db2.gz SJVPENNHOGJUKT-UHFFFAOYSA-N 0 3 209.314 1.906 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000877653573 590385252 /nfs/dbraw/zinc/38/52/52/590385252.db2.gz NPYNPEQKNFNBMH-MGCOHNPYSA-N 0 3 234.299 1.054 20 10 BDCDHN C[C@H]([NH2+]CCC1OCCO1)c1ccccc1[O-] ZINC000879650693 590841516 /nfs/dbraw/zinc/84/15/16/590841516.db2.gz NZEKWQIEQAJSBK-JTQLQIEISA-N 0 3 237.299 1.806 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CCOC2)c1 ZINC000131191501 591566195 /nfs/dbraw/zinc/56/61/95/591566195.db2.gz NPVIULSMWWYILP-VHSXEESVSA-N 0 3 237.299 1.840 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1[O-] ZINC000132479555 591712378 /nfs/dbraw/zinc/71/23/78/591712378.db2.gz HGUGINYYIJHURZ-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC[C@H](O)C2)c1[O-] ZINC000132479555 591712382 /nfs/dbraw/zinc/71/23/82/591712382.db2.gz HGUGINYYIJHURZ-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN CN(Cc1ccccc1O)C(=O)[C@H](N)CC1CC1 ZINC000302666578 592550996 /nfs/dbraw/zinc/55/09/96/592550996.db2.gz KGMXIFFUDAPJFB-GFCCVEGCSA-N 0 3 248.326 1.478 20 10 BDCDHN C[C@H](O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297542393 631236485 /nfs/dbraw/zinc/23/64/85/631236485.db2.gz FCNZENBVOXVPQQ-GXSJLCMTSA-N 0 3 221.300 1.740 20 10 BDCDHN CC[S@](=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000163978859 633068436 /nfs/dbraw/zinc/06/84/36/633068436.db2.gz HHEDPFKAYLNQAQ-QLJPJBMISA-N 0 3 241.356 1.811 20 10 BDCDHN C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000168830413 633150638 /nfs/dbraw/zinc/15/06/38/633150638.db2.gz DSQBONJJNUCYSL-SFYZADRCSA-N 0 3 240.278 1.446 20 10 BDCDHN CC(=O)NC[C@H](c1ccc(N(C)C)cc1)N(C)C ZINC000005097784 635210980 /nfs/dbraw/zinc/21/09/80/635210980.db2.gz JKWXVJGHRJHYCY-CQSZACIVSA-N 0 3 249.358 1.491 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CC23CC(O)C3)c([O-])c1 ZINC000897841946 636836411 /nfs/dbraw/zinc/83/64/11/636836411.db2.gz RMPSGHCEYYWBAN-QRMWWUJWSA-N 0 3 233.311 1.704 20 10 BDCDHN CNC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000322803386 636880995 /nfs/dbraw/zinc/88/09/95/636880995.db2.gz RBGVDAMXOJVPJO-MWLCHTKSSA-N 0 3 248.326 1.494 20 10 BDCDHN CC(C)C[C@@H](O)C[NH2+]Cc1ccccc1[O-] ZINC000163761142 640415920 /nfs/dbraw/zinc/41/59/20/640415920.db2.gz BWECKNDQZSWSDA-GFCCVEGCSA-N 0 3 223.316 1.889 20 10 BDCDHN CN1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000040716230 641534395 /nfs/dbraw/zinc/53/43/95/641534395.db2.gz MSXADGIAQGGGJO-LBPRGKRZSA-N 0 3 248.330 1.485 20 10 BDCDHN Cc1cc(O)c(CNC2(C(N)=O)CC2)cc1C ZINC000792173361 644794701 /nfs/dbraw/zinc/79/47/01/644794701.db2.gz CJBUFDASANEHAU-UHFFFAOYSA-N 0 3 234.299 1.117 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827827454 645085390 /nfs/dbraw/zinc/08/53/90/645085390.db2.gz VIVNSDBVGHKUMF-MGCOHNPYSA-N 0 3 211.236 1.144 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000877625579 645802806 /nfs/dbraw/zinc/80/28/06/645802806.db2.gz PQWRTMSDRPCAEX-NSHDSACASA-N 0 3 235.327 1.951 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000382162256 710801400 /nfs/dbraw/zinc/80/14/00/710801400.db2.gz SZOLUHKUMZBSGE-MWLCHTKSSA-N 0 3 211.236 1.144 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](C)OC ZINC000726607384 711438715 /nfs/dbraw/zinc/43/87/15/711438715.db2.gz OGAIDQAXGXSQCI-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@@H]([NH2+]CCCn1cncn1)c1ccccc1[O-] ZINC000381847177 710745263 /nfs/dbraw/zinc/74/52/63/710745263.db2.gz ZHZFBEQBKCRFOO-LLVKDONJSA-N 0 3 246.314 1.725 20 10 BDCDHN C[C@@H](NCc1c[nH]nn1)c1ccc(N(C)C)cc1 ZINC000398339439 711407902 /nfs/dbraw/zinc/40/79/02/711407902.db2.gz MHCPTCLRCJHTCD-SNVBAGLBSA-N 0 3 245.330 1.722 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000724925775 711629361 /nfs/dbraw/zinc/62/93/61/711629361.db2.gz VJWMLRXNSXRDAE-GFCCVEGCSA-N 0 3 237.299 1.287 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000724925776 711629564 /nfs/dbraw/zinc/62/95/64/711629564.db2.gz VJWMLRXNSXRDAE-LBPRGKRZSA-N 0 3 237.299 1.287 20 10 BDCDHN [O-]c1ccccc1CNC1=[NH+]CCCCN1 ZINC000700030075 711983392 /nfs/dbraw/zinc/98/33/92/711983392.db2.gz RZOUAQJXENXUSR-UHFFFAOYSA-N 0 3 219.288 1.221 20 10 BDCDHN CCNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037262453 712560807 /nfs/dbraw/zinc/56/08/07/712560807.db2.gz KNIWGMSXPFYIOT-LLVKDONJSA-N 0 3 249.358 1.539 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000716729793 712571065 /nfs/dbraw/zinc/57/10/65/712571065.db2.gz BCQOCAQGZYZQEE-JTQLQIEISA-N 0 3 249.232 1.637 20 10 BDCDHN C[C@H](CO)C[N@H+](C)Cc1ccccc1[O-] ZINC000121397225 712595503 /nfs/dbraw/zinc/59/55/03/712595503.db2.gz WJBFVMRUTRUOMD-JTQLQIEISA-N 0 3 209.289 1.452 20 10 BDCDHN C[C@H](CO)C[N@@H+](C)Cc1ccccc1[O-] ZINC000121397225 712595504 /nfs/dbraw/zinc/59/55/04/712595504.db2.gz WJBFVMRUTRUOMD-JTQLQIEISA-N 0 3 209.289 1.452 20 10 BDCDHN COCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000379915205 712625021 /nfs/dbraw/zinc/62/50/21/712625021.db2.gz BKZDMIBKDLLAMJ-SNVBAGLBSA-N 0 3 207.273 1.616 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCC[C@@H](C)O ZINC000877484822 712631226 /nfs/dbraw/zinc/63/12/26/712631226.db2.gz PCCRGPNVXWSGCK-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccccc1[O-] ZINC000718474454 712764901 /nfs/dbraw/zinc/76/49/01/712764901.db2.gz CAIDAZUQQNHPRU-KPPDAEKUSA-N 0 3 248.326 1.697 20 10 BDCDHN CC[C@@H](O)C[N@H+](CC)Cc1ccccc1[O-] ZINC001251780791 968314720 /nfs/dbraw/zinc/31/47/20/968314720.db2.gz XTIBIFRTLOFJHZ-GFCCVEGCSA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@@H](O)C[N@@H+](CC)Cc1ccccc1[O-] ZINC001251780791 968314724 /nfs/dbraw/zinc/31/47/24/968314724.db2.gz XTIBIFRTLOFJHZ-GFCCVEGCSA-N 0 3 223.316 1.985 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)c([O-])c1 ZINC000877608211 983956070 /nfs/dbraw/zinc/95/60/70/983956070.db2.gz RMPDYCVKXDRFNL-PWSUYJOCSA-N 0 3 221.300 1.968 20 10 BDCDHN [NH3+][C@@]12C[C@@H]1CN(Cc1c([O-])cccc1Cl)C2 ZINC001236024240 966236973 /nfs/dbraw/zinc/23/69/73/966236973.db2.gz ILDRQCXHCJSXGP-PRHODGIISA-N 0 3 238.718 1.579 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001203622262 966708193 /nfs/dbraw/zinc/70/81/93/966708193.db2.gz VXFCPJUGOPJBAJ-TZMCWYRMSA-N 0 3 249.310 1.764 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@H]3OCC[C@H]32)c([O-])c1 ZINC001203622262 966708199 /nfs/dbraw/zinc/70/81/99/966708199.db2.gz VXFCPJUGOPJBAJ-TZMCWYRMSA-N 0 3 249.310 1.764 20 10 BDCDHN CN(C)c1ccc(CN2CC(N(C)C)C2)cc1 ZINC001203929344 966826102 /nfs/dbraw/zinc/82/61/02/966826102.db2.gz ATDPBUMODILVHM-UHFFFAOYSA-N 0 3 233.359 1.498 20 10 BDCDHN Oc1ccc(CN2CCSCC2)c(O)c1 ZINC001204276118 966953867 /nfs/dbraw/zinc/95/38/67/966953867.db2.gz HMBMJLLRJNYRGV-UHFFFAOYSA-N 0 3 225.313 1.647 20 10 BDCDHN C[C@]1(O)CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278671 966959073 /nfs/dbraw/zinc/95/90/73/966959073.db2.gz HSIVIAIYTKDBTD-ZDUSSCGKSA-N 0 3 237.299 1.445 20 10 BDCDHN C[C@]1(O)CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278671 966959084 /nfs/dbraw/zinc/95/90/84/966959084.db2.gz HSIVIAIYTKDBTD-ZDUSSCGKSA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC2(COC2)C1 ZINC001204276370 966960904 /nfs/dbraw/zinc/96/09/04/966960904.db2.gz LBDATXAOPRCHRM-UHFFFAOYSA-N 0 3 235.283 1.320 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC2(COC2)C1 ZINC001204276370 966960908 /nfs/dbraw/zinc/96/09/08/966960908.db2.gz LBDATXAOPRCHRM-UHFFFAOYSA-N 0 3 235.283 1.320 20 10 BDCDHN CCCC[C@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252111275 968596442 /nfs/dbraw/zinc/59/64/42/968596442.db2.gz RCGJZRAASFNLBT-LBPRGKRZSA-N 0 3 239.315 1.739 20 10 BDCDHN CN1CC=C(Nc2cccc(O)c2O)CC1 ZINC001208844756 969257575 /nfs/dbraw/zinc/25/75/75/969257575.db2.gz VGWSPVSETWXQJO-UHFFFAOYSA-N 0 3 220.272 1.729 20 10 BDCDHN COc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000402008143 970751872 /nfs/dbraw/zinc/75/18/72/970751872.db2.gz AHVRCDDEPMPJDJ-GXSJLCMTSA-N 0 3 237.299 1.668 20 10 BDCDHN Oc1cc(O)c(CN2CC[C@H](F)C2)c(O)c1 ZINC001144504077 972851965 /nfs/dbraw/zinc/85/19/65/972851965.db2.gz KXLJQDCXIPYFOE-ZETCQYMHSA-N 0 3 227.235 1.347 20 10 BDCDHN Cc1ccc(C[NH2+][C@]23C[C@H]2COC3)c([O-])c1 ZINC001331565173 974763488 /nfs/dbraw/zinc/76/34/88/974763488.db2.gz KDHNPNZUHOOWFB-AAEUAGOBSA-N 0 3 219.284 1.579 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001338445667 978683499 /nfs/dbraw/zinc/68/34/99/978683499.db2.gz GXHNAIOUXJWSDF-CYBMUJFWSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC001338445667 978683502 /nfs/dbraw/zinc/68/35/02/978683502.db2.gz GXHNAIOUXJWSDF-CYBMUJFWSA-N 0 3 249.310 1.358 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001204276578 978929157 /nfs/dbraw/zinc/92/91/57/978929157.db2.gz NLFPWVPNWYLCEO-YGRLFVJLSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H]2CCO[C@H]2C1 ZINC001204276578 978929164 /nfs/dbraw/zinc/92/91/64/978929164.db2.gz NLFPWVPNWYLCEO-YGRLFVJLSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001204280451 978942843 /nfs/dbraw/zinc/94/28/43/978942843.db2.gz KFINQBIUAPUWIO-FZMZJTMJSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@@H]2OCC[C@H]2C1 ZINC001204280451 978942851 /nfs/dbraw/zinc/94/28/51/978942851.db2.gz KFINQBIUAPUWIO-FZMZJTMJSA-N 0 3 249.310 1.709 20 10 BDCDHN [NH3+][C@]12C[C@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001236015621 979301540 /nfs/dbraw/zinc/30/15/40/979301540.db2.gz NEGDVYKLARXSJU-CABZTGNLSA-N 0 3 238.718 1.579 20 10 BDCDHN COC(=O)C1CN(Cc2c(C)cccc2O)C1 ZINC001237484347 979911431 /nfs/dbraw/zinc/91/14/31/979911431.db2.gz CMPFJEXHZIVIPC-UHFFFAOYSA-N 0 3 235.283 1.305 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC001238055733 980133267 /nfs/dbraw/zinc/13/32/67/980133267.db2.gz CPMYPYQMHXFDSJ-SKDRFNHKSA-N 0 3 239.290 1.795 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC001238055733 980133273 /nfs/dbraw/zinc/13/32/73/980133273.db2.gz CPMYPYQMHXFDSJ-SKDRFNHKSA-N 0 3 239.290 1.795 20 10 BDCDHN CC[NH2+][C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001354863993 983377495 /nfs/dbraw/zinc/37/74/95/983377495.db2.gz BETCELXGJUHWHT-MRVPVSSYSA-N 0 3 240.278 1.146 20 10 BDCDHN CCO[C@@H]1COC[C@H]1NCc1ccc(N)cc1 ZINC001578158495 984859359 /nfs/dbraw/zinc/85/93/59/984859359.db2.gz FGXNCURBLXHAMX-CHWSQXEVSA-N 0 3 236.315 1.162 20 10 BDCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1CCCOCC1 ZINC000383738047 993510924 /nfs/dbraw/zinc/51/09/24/993510924.db2.gz BVUCHIIBJAWJRV-NSHDSACASA-N 0 3 237.299 1.757 20 10 BDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C2)c1[O-] ZINC000132493569 178064335 /nfs/dbraw/zinc/06/43/35/178064335.db2.gz CGYZXEGAVYPIOU-NSHDSACASA-N 0 3 241.718 1.921 20 10 BDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@H](O)C2)c1[O-] ZINC000132493569 178064336 /nfs/dbraw/zinc/06/43/36/178064336.db2.gz CGYZXEGAVYPIOU-NSHDSACASA-N 0 3 241.718 1.921 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2)cc1C ZINC000294810266 178196552 /nfs/dbraw/zinc/19/65/52/178196552.db2.gz JKRHPOMMXPYHDD-TXEJJXNPSA-N 0 3 221.300 1.622 20 10 BDCDHN C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1[O-] ZINC000183638069 398250039 /nfs/dbraw/zinc/25/00/39/398250039.db2.gz HXQBAWDFYXWNAS-SECBINFHSA-N 0 3 236.315 1.554 20 10 BDCDHN C[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC000037363046 343343945 /nfs/dbraw/zinc/34/39/45/343343945.db2.gz IUALAJFTRVNAJV-VIFPVBQESA-N 0 3 207.273 1.092 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000183449106 179081970 /nfs/dbraw/zinc/08/19/70/179081970.db2.gz RFOKZHIYMFVEDY-NSHDSACASA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H](C(N)=O)C2)c1[O-] ZINC000183449106 179081972 /nfs/dbraw/zinc/08/19/72/179081972.db2.gz RFOKZHIYMFVEDY-NSHDSACASA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H](C)CO)c1[O-] ZINC000162829905 179093346 /nfs/dbraw/zinc/09/33/46/179093346.db2.gz HEWPCXKWFZRPJG-VIFPVBQESA-N 0 3 209.289 1.419 20 10 BDCDHN CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000179902620 188252644 /nfs/dbraw/zinc/25/26/44/188252644.db2.gz PAGGDQKSZODYFA-JTQLQIEISA-N 0 3 236.315 1.569 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000070955758 188305581 /nfs/dbraw/zinc/30/55/81/188305581.db2.gz LRJGPPAHFIMQHK-ZDUSSCGKSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H]2CCCN2C)c1 ZINC000113328533 188327381 /nfs/dbraw/zinc/32/73/81/188327381.db2.gz AKXSCKCBUKFUPR-ZDUSSCGKSA-N 0 3 234.343 1.884 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C1CCC(O)CC1 ZINC000156406433 183274877 /nfs/dbraw/zinc/27/48/77/183274877.db2.gz WJMQZKZCYZWVQO-UHFFFAOYSA-N 0 3 239.290 1.924 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000187985629 183275712 /nfs/dbraw/zinc/27/57/12/183275712.db2.gz OAXBFHIXOVXFMX-JOYOIKCWSA-N 0 3 239.290 1.782 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC000071011190 183303269 /nfs/dbraw/zinc/30/32/69/183303269.db2.gz NVAMIBXXCMVUAE-LLVKDONJSA-N 0 3 207.273 1.661 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000165145008 183303435 /nfs/dbraw/zinc/30/34/35/183303435.db2.gz OGWNJSDIDZPSRQ-LBPRGKRZSA-N 0 3 239.340 1.350 20 10 BDCDHN c1cc(CN[C@H]2CCCOC2)cc2c1OCC2 ZINC000103962857 183368121 /nfs/dbraw/zinc/36/81/21/183368121.db2.gz VRHFLUHSHDXODY-ZDUSSCGKSA-N 0 3 233.311 1.890 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]CC(C)(C)O)c1 ZINC000111385528 383857283 /nfs/dbraw/zinc/85/72/83/383857283.db2.gz ZDZKLLAALYXLQQ-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN Cn1cc(C[NH2+][C@@H]2CCc3cccc([O-])c32)cn1 ZINC000295836005 383860527 /nfs/dbraw/zinc/86/05/27/383860527.db2.gz FHRHUNZCSPCBHF-GFCCVEGCSA-N 0 3 243.310 1.903 20 10 BDCDHN O=C1NCCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000036976902 383922503 /nfs/dbraw/zinc/92/25/03/383922503.db2.gz JYRBKNHMSUBPGE-LLVKDONJSA-N 0 3 234.299 1.151 20 10 BDCDHN C[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000132546604 384237028 /nfs/dbraw/zinc/23/70/28/384237028.db2.gz AKKOQATZGVEWMQ-IUCAKERBSA-N 0 3 227.279 1.953 20 10 BDCDHN COC[C@H](C)[N@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132677504 384243583 /nfs/dbraw/zinc/24/35/83/384243583.db2.gz JYUNMHOYPDMNQM-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN COC[C@H](C)[N@@H+](C)Cc1cc(OC)ccc1[O-] ZINC000132677504 384243586 /nfs/dbraw/zinc/24/35/86/384243586.db2.gz JYUNMHOYPDMNQM-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000083347398 384297537 /nfs/dbraw/zinc/29/75/37/384297537.db2.gz LOVBIAIPAWFUHV-JTQLQIEISA-N 0 3 213.252 1.392 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC2(C)COC2)c1 ZINC000082699492 384704686 /nfs/dbraw/zinc/70/46/86/384704686.db2.gz QVQTYAIDBJJBIB-UHFFFAOYSA-N 0 3 221.300 1.827 20 10 BDCDHN C[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000082992610 384735617 /nfs/dbraw/zinc/73/56/17/384735617.db2.gz QNIYSYGPAIQBHS-ZJUUUORDSA-N 0 3 209.289 1.814 20 10 BDCDHN CN(C)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC000084933962 384905348 /nfs/dbraw/zinc/90/53/48/384905348.db2.gz AUOMXQXYXSTDNS-CYBMUJFWSA-N 0 3 220.316 1.319 20 10 BDCDHN C[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111364 385073683 /nfs/dbraw/zinc/07/36/83/385073683.db2.gz KYKZMGFKYQAOSP-SFYZADRCSA-N 0 3 213.252 1.563 20 10 BDCDHN C[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111366 385075791 /nfs/dbraw/zinc/07/57/91/385075791.db2.gz KYKZMGFKYQAOSP-HTQZYQBOSA-N 0 3 213.252 1.563 20 10 BDCDHN CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000188472294 385186753 /nfs/dbraw/zinc/18/67/53/385186753.db2.gz SYAAXHBLULUTTP-JTQLQIEISA-N 0 3 236.315 1.349 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccccc1[O-] ZINC000130164606 385224596 /nfs/dbraw/zinc/22/45/96/385224596.db2.gz OXDNMDUOAKECFR-WDEREUQCSA-N 0 3 222.332 1.993 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000157194548 385490907 /nfs/dbraw/zinc/49/09/07/385490907.db2.gz OZYYKNWJWLXBGL-JTQLQIEISA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000157194548 385490910 /nfs/dbraw/zinc/49/09/10/385490910.db2.gz OZYYKNWJWLXBGL-JTQLQIEISA-N 0 3 234.299 1.008 20 10 BDCDHN C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(F)ccc1[O-] ZINC000230392606 385735573 /nfs/dbraw/zinc/73/55/73/385735573.db2.gz ZPIWGRUCNZTYCG-VPTHRUTESA-N 0 3 245.319 1.388 20 10 BDCDHN C/C=C/C[C@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000185818621 385739602 /nfs/dbraw/zinc/73/96/02/385739602.db2.gz AZZTZHCQGAJKSE-QAVQXKDTSA-N 0 3 221.300 1.809 20 10 BDCDHN Cc1noc(CC[NH2+][C@H](C)c2ccccc2[O-])n1 ZINC000183595568 385773299 /nfs/dbraw/zinc/77/32/99/385773299.db2.gz IKRBIKJXQSFJDR-SECBINFHSA-N 0 3 247.298 1.977 20 10 BDCDHN C[C@@H](C[S@@](C)=O)N(C)Cc1ccccc1O ZINC000185225776 385724589 /nfs/dbraw/zinc/72/45/89/385724589.db2.gz ZTYJFTVAIDKKCO-MGPLVRAMSA-N 0 3 241.356 1.591 20 10 BDCDHN C[C@H]([NH2+]CCN(C)C)c1ccccc1[O-] ZINC000021962115 385888802 /nfs/dbraw/zinc/88/88/02/385888802.db2.gz OWDXXRPQJUHHRT-JTQLQIEISA-N 0 3 208.305 1.604 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@@H]1O ZINC000272038317 385869858 /nfs/dbraw/zinc/86/98/58/385869858.db2.gz ZRIADYVQSWNTBG-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@@H]1O ZINC000272038317 385869862 /nfs/dbraw/zinc/86/98/62/385869862.db2.gz ZRIADYVQSWNTBG-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN COC[C@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000234824074 386104221 /nfs/dbraw/zinc/10/42/21/386104221.db2.gz VASWKLQCASEKSW-QWRGUYRKSA-N 0 3 239.315 1.359 20 10 BDCDHN CO[C@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000234900549 386114989 /nfs/dbraw/zinc/11/49/89/386114989.db2.gz ZEZXCMFAXGJTIF-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN CO[C@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000234900549 386114991 /nfs/dbraw/zinc/11/49/91/386114991.db2.gz ZEZXCMFAXGJTIF-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN CCN(CC)CC(=O)NCCc1ccc(N)cc1 ZINC000236842143 386317259 /nfs/dbraw/zinc/31/72/59/386317259.db2.gz JQMWCLZKRWDKGS-UHFFFAOYSA-N 0 3 249.358 1.269 20 10 BDCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](O)C(F)F ZINC000295127611 386691917 /nfs/dbraw/zinc/69/19/17/386691917.db2.gz XOJSIWYRSIWTRQ-GXSJLCMTSA-N 0 3 245.269 1.886 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280554040 386821940 /nfs/dbraw/zinc/82/19/40/386821940.db2.gz UIJVOCZEQYAMMZ-ZDUSSCGKSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280554040 386821946 /nfs/dbraw/zinc/82/19/46/386821946.db2.gz UIJVOCZEQYAMMZ-ZDUSSCGKSA-N 0 3 235.327 1.903 20 10 BDCDHN COC[C@H]1CC[N@@H+]1Cc1cc(C)ccc1[O-] ZINC000293535662 386832113 /nfs/dbraw/zinc/83/21/13/386832113.db2.gz CGONFASYGWKUNL-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@H]1CC[N@H+]1Cc1cc(C)ccc1[O-] ZINC000293535662 386832121 /nfs/dbraw/zinc/83/21/21/386832121.db2.gz CGONFASYGWKUNL-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@H]1CCN1Cc1cc(C)ccc1O ZINC000293535662 386832127 /nfs/dbraw/zinc/83/21/27/386832127.db2.gz CGONFASYGWKUNL-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@@H]1CC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000293572066 386840062 /nfs/dbraw/zinc/84/00/62/386840062.db2.gz HAXPNOFIKPWYEE-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@@H]1CC[N@H+]1Cc1cccc(C)c1[O-] ZINC000293572066 386840067 /nfs/dbraw/zinc/84/00/67/386840067.db2.gz HAXPNOFIKPWYEE-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@H]1CC[N@@H+]1Cc1cccc(C)c1[O-] ZINC000293572063 386840557 /nfs/dbraw/zinc/84/05/57/386840557.db2.gz HAXPNOFIKPWYEE-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@H]1CC[N@H+]1Cc1cccc(C)c1[O-] ZINC000293572063 386840564 /nfs/dbraw/zinc/84/05/64/386840564.db2.gz HAXPNOFIKPWYEE-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@H]1CCN1Cc1cc(OC)ccc1O ZINC000293585905 386842371 /nfs/dbraw/zinc/84/23/71/386842371.db2.gz ICNWFWMVDVYCEI-LLVKDONJSA-N 0 3 237.299 1.622 20 10 BDCDHN CN(C)[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000160235334 387071948 /nfs/dbraw/zinc/07/19/48/387071948.db2.gz KTYFXCKOGUAVIH-NSHDSACASA-N 0 3 238.306 1.667 20 10 BDCDHN CN(C)[C@H]1CC[N@@H+](Cc2cccc(F)c2[O-])C1 ZINC000160235334 387071951 /nfs/dbraw/zinc/07/19/51/387071951.db2.gz KTYFXCKOGUAVIH-NSHDSACASA-N 0 3 238.306 1.667 20 10 BDCDHN C[C@H]([NH2+]CCCCO)c1ccccc1[O-] ZINC000193276898 387204698 /nfs/dbraw/zinc/20/46/98/387204698.db2.gz KYQDQONWGJXDTM-JTQLQIEISA-N 0 3 209.289 1.815 20 10 BDCDHN Cc1ccc(O)c(CNCc2cnnn2C)c1 ZINC000288406739 388419116 /nfs/dbraw/zinc/41/91/16/388419116.db2.gz INDVUROZXLAFCK-UHFFFAOYSA-N 0 3 232.287 1.119 20 10 BDCDHN C[C@@H](CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586247 388723793 /nfs/dbraw/zinc/72/37/93/388723793.db2.gz YZJFCRSJFNISOD-MRVPVSSYSA-N 0 3 213.252 1.249 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273564585 389042772 /nfs/dbraw/zinc/04/27/72/389042772.db2.gz JCVRFFBKBLRGON-MNOVXSKESA-N 0 3 248.326 1.582 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273564583 389043228 /nfs/dbraw/zinc/04/32/28/389043228.db2.gz JCVRFFBKBLRGON-GHMZBOCLSA-N 0 3 248.326 1.582 20 10 BDCDHN COCC[C@H](CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000282355736 398068599 /nfs/dbraw/zinc/06/85/99/398068599.db2.gz VVLPNMGWAJNMNJ-GFCCVEGCSA-N 0 3 239.315 1.188 20 10 BDCDHN CN1CCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000163759143 173034449 /nfs/dbraw/zinc/03/44/49/173034449.db2.gz QCBLHTHXXQCFSM-GFCCVEGCSA-N 0 3 220.316 1.576 20 10 BDCDHN CNC(=O)C(C)(C)C[NH2+]Cc1ccccc1[O-] ZINC000120282004 173219904 /nfs/dbraw/zinc/21/99/04/173219904.db2.gz SCEHPFFEYSMWHY-UHFFFAOYSA-N 0 3 236.315 1.254 20 10 BDCDHN CNC(=O)C[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000299283228 173282268 /nfs/dbraw/zinc/28/22/68/173282268.db2.gz DHAURQKSXVHDMI-NSHDSACASA-N 0 3 249.358 1.367 20 10 BDCDHN COCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020085633 174335815 /nfs/dbraw/zinc/33/58/15/174335815.db2.gz LLNJGAQAFAVVJU-UHFFFAOYSA-N 0 3 211.261 1.137 20 10 BDCDHN COCCOCC[NH2+]Cc1ccccc1[O-] ZINC000044693457 174357086 /nfs/dbraw/zinc/35/70/86/174357086.db2.gz HWGCMIHEOIAAFR-UHFFFAOYSA-N 0 3 225.288 1.145 20 10 BDCDHN COC[C@@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183634025 174491227 /nfs/dbraw/zinc/49/12/27/174491227.db2.gz KRTACYMXVCXYSE-MNOVXSKESA-N 0 3 239.315 1.440 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CCn2ccnc2)c1 ZINC000041119344 175159199 /nfs/dbraw/zinc/15/91/99/175159199.db2.gz VJHRNEORHOZIOX-UHFFFAOYSA-N 0 3 247.298 1.387 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CCCCCO)c1 ZINC000083367183 175159517 /nfs/dbraw/zinc/15/95/17/175159517.db2.gz YUQHIAAAHHQSOB-UHFFFAOYSA-N 0 3 239.315 1.653 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)O)c1 ZINC000035601839 175159904 /nfs/dbraw/zinc/15/99/04/175159904.db2.gz UVAXSFWALKDRRH-DTWKUNHWSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CO)c1 ZINC000035602995 175160116 /nfs/dbraw/zinc/16/01/16/175160116.db2.gz DUYOAJLSKAHSLA-IUCAKERBSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CO)c1 ZINC000035603001 175160340 /nfs/dbraw/zinc/16/03/40/175160340.db2.gz DUYOAJLSKAHSLA-RKDXNWHRSA-N 0 3 225.288 1.432 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CCN(C)C)c1 ZINC000022141536 175160846 /nfs/dbraw/zinc/16/08/46/175160846.db2.gz OKQWPOYVZWLUOK-SNVBAGLBSA-N 0 3 238.331 1.613 20 10 BDCDHN COc1cccc(C[NH2+]CCOC(C)C)c1[O-] ZINC000168959771 175264752 /nfs/dbraw/zinc/26/47/52/175264752.db2.gz LFICNYRDJUCUOF-UHFFFAOYSA-N 0 3 239.315 1.915 20 10 BDCDHN COc1cccc(C[NH2+][C@@H]2CCCOC2)c1[O-] ZINC000109543592 175266433 /nfs/dbraw/zinc/26/64/33/175266433.db2.gz AGHJHHRDMGKAPF-LLVKDONJSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1cccc(C[NH2+][C@@H]2CCN(C)C2)c1[O-] ZINC000042544201 175267009 /nfs/dbraw/zinc/26/70/09/175267009.db2.gz UXOJSZFATRWJHK-LLVKDONJSA-N 0 3 236.315 1.195 20 10 BDCDHN C[C@H]([NH2+]CCCOCCO)c1ccccc1[O-] ZINC000183721903 176845607 /nfs/dbraw/zinc/84/56/07/176845607.db2.gz MRRCKOZMCXTWMD-NSHDSACASA-N 0 3 239.315 1.442 20 10 BDCDHN C[C@H]1CN(Cc2ccc(N)cc2)CCCO1 ZINC000061912850 177263725 /nfs/dbraw/zinc/26/37/25/177263725.db2.gz BQWQYPRTWLEMNY-NSHDSACASA-N 0 3 220.316 1.880 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC12CC(C1)CO2 ZINC000527788861 323695146 /nfs/dbraw/zinc/69/51/46/323695146.db2.gz LJVLIMLSTAFXBZ-UHFFFAOYSA-N 0 3 219.284 1.661 20 10 BDCDHN CCn1nncc1CNCc1cccc(C)c1O ZINC000529639929 324368818 /nfs/dbraw/zinc/36/88/18/324368818.db2.gz STGDNQYLLJLZRZ-UHFFFAOYSA-N 0 3 246.314 1.602 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1COCCN1)c1ccccc1[O-] ZINC000530218585 324535893 /nfs/dbraw/zinc/53/58/93/324535893.db2.gz CVRWBYJEPWMBMJ-WDEREUQCSA-N 0 3 236.315 1.031 20 10 BDCDHN CN(Cc1cc(F)ccc1[O-])[C@@H]1CC[NH2+]C1 ZINC000220108316 583176261 /nfs/dbraw/zinc/17/62/61/583176261.db2.gz QWQIWMUGIGGBNM-LLVKDONJSA-N 0 3 224.279 1.325 20 10 BDCDHN C[NH2+]C[C@@H](C)N[C@H](C)c1cc(F)ccc1[O-] ZINC000854231701 588781459 /nfs/dbraw/zinc/78/14/59/588781459.db2.gz JYUAWASRADADPQ-RKDXNWHRSA-N 0 3 226.295 1.790 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](CO)CC(F)F ZINC000894567508 583485173 /nfs/dbraw/zinc/48/51/73/583485173.db2.gz RFCIFACKUACEMM-VIFPVBQESA-N 0 3 245.269 1.806 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2COCO2)c([O-])c1 ZINC000894888916 583547273 /nfs/dbraw/zinc/54/72/73/583547273.db2.gz MEKVLHSAPVZBLY-NSHDSACASA-N 0 3 223.272 1.163 20 10 BDCDHN CC1=NO[C@H](CNCc2cc(C)ccc2O)C1 ZINC000895308540 583646394 /nfs/dbraw/zinc/64/63/94/583646394.db2.gz MRKCPXSVMOKDMK-LBPRGKRZSA-N 0 3 234.299 1.955 20 10 BDCDHN CC1=NO[C@H](C[NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000895308540 583646397 /nfs/dbraw/zinc/64/63/97/583646397.db2.gz MRKCPXSVMOKDMK-LBPRGKRZSA-N 0 3 234.299 1.955 20 10 BDCDHN CC1=NO[C@H](CNCc2cccc(C)c2O)C1 ZINC000895307067 583647481 /nfs/dbraw/zinc/64/74/81/583647481.db2.gz NYODNHDQYHYELB-LBPRGKRZSA-N 0 3 234.299 1.955 20 10 BDCDHN CC1=NO[C@H](C[NH2+]Cc2cccc(C)c2[O-])C1 ZINC000895307067 583647484 /nfs/dbraw/zinc/64/74/84/583647484.db2.gz NYODNHDQYHYELB-LBPRGKRZSA-N 0 3 234.299 1.955 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000895651664 583703129 /nfs/dbraw/zinc/70/31/29/583703129.db2.gz BBEFTJDXFMEUQM-AAEUAGOBSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000895651664 583703131 /nfs/dbraw/zinc/70/31/31/583703131.db2.gz BBEFTJDXFMEUQM-AAEUAGOBSA-N 0 3 219.284 1.267 20 10 BDCDHN COCC1C[NH+](Cc2ccc(C)cc2[O-])C1 ZINC000895976526 583753139 /nfs/dbraw/zinc/75/31/39/583753139.db2.gz RDFUEEUQFBWXPV-UHFFFAOYSA-N 0 3 221.300 1.779 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1C ZINC000858249277 588940347 /nfs/dbraw/zinc/94/03/47/588940347.db2.gz NICJXMRYJVHRJD-UMSPYCQHSA-N 0 3 248.326 1.363 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1CCN(C)C1 ZINC000729682097 584022573 /nfs/dbraw/zinc/02/25/73/584022573.db2.gz MSUAVARAYIZSTL-JTQLQIEISA-N 0 3 236.315 1.195 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000897681305 584038944 /nfs/dbraw/zinc/03/89/44/584038944.db2.gz QTPLAMHWUUHTPT-PELKAZGASA-N 0 3 225.263 1.344 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000897681305 584038946 /nfs/dbraw/zinc/03/89/46/584038946.db2.gz QTPLAMHWUUHTPT-PELKAZGASA-N 0 3 225.263 1.344 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897683790 584040658 /nfs/dbraw/zinc/04/06/58/584040658.db2.gz GXIMLUQHBPNXFB-GXSJLCMTSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC000897683790 584040659 /nfs/dbraw/zinc/04/06/59/584040659.db2.gz GXIMLUQHBPNXFB-GXSJLCMTSA-N 0 3 237.299 1.213 20 10 BDCDHN CCc1cccc(CN[C@]2(C)CCNC2=O)c1O ZINC000897868852 584055499 /nfs/dbraw/zinc/05/54/99/584055499.db2.gz NEGIOMYGNGISAV-CQSZACIVSA-N 0 3 248.326 1.323 20 10 BDCDHN CCc1cccc(C[NH2+][C@]2(C)CCNC2=O)c1[O-] ZINC000897868852 584055501 /nfs/dbraw/zinc/05/55/01/584055501.db2.gz NEGIOMYGNGISAV-CQSZACIVSA-N 0 3 248.326 1.323 20 10 BDCDHN Cc1ccc(C[NH2+]CC[C@H](O)C2CC2)c([O-])c1 ZINC000898195703 584096685 /nfs/dbraw/zinc/09/66/85/584096685.db2.gz YWPMNKBALSYCGN-ZDUSSCGKSA-N 0 3 235.327 1.951 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN[C@H]1CCC[NH2+]C1 ZINC000841041644 584118286 /nfs/dbraw/zinc/11/82/86/584118286.db2.gz CLGKMOWLSHMUMG-NSHDSACASA-N 0 3 240.734 1.887 20 10 BDCDHN [O-]c1ccc(Cl)cc1C[NH2+][C@H]1CCCNC1 ZINC000841041644 584118288 /nfs/dbraw/zinc/11/82/88/584118288.db2.gz CLGKMOWLSHMUMG-NSHDSACASA-N 0 3 240.734 1.887 20 10 BDCDHN C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1[O-] ZINC000902472160 584601158 /nfs/dbraw/zinc/60/11/58/584601158.db2.gz YEGRXDCRTNPZJX-YRRQLQLVSA-N 0 3 232.327 1.936 20 10 BDCDHN C[C@@H](NCc1cccc(Cl)c1[O-])[C@H](C)[NH3+] ZINC000841076980 584761555 /nfs/dbraw/zinc/76/15/55/584761555.db2.gz VSPHSJXLLRAZLE-JGVFFNPUSA-N 0 3 228.723 1.871 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCCN(C)C1 ZINC000876962102 584888270 /nfs/dbraw/zinc/88/82/70/584888270.db2.gz MCVFUBXXZNIEDZ-LBPRGKRZSA-N 0 3 234.343 1.884 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H](O)C1CC1 ZINC000734844750 584968973 /nfs/dbraw/zinc/96/89/73/584968973.db2.gz UFHRGSRCAPHZSD-GFCCVEGCSA-N 0 3 237.299 1.261 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000838916111 585078148 /nfs/dbraw/zinc/07/81/48/585078148.db2.gz DVFBHNBAXFUJPT-GHMZBOCLSA-N 0 3 248.326 1.569 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@@H](CO)C2CC2)cc1C ZINC000742371117 585125221 /nfs/dbraw/zinc/12/52/21/585125221.db2.gz IBSRCCMLQUUUCU-ZDUSSCGKSA-N 0 3 235.327 1.870 20 10 BDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2[O-])C1 ZINC000775650108 585682584 /nfs/dbraw/zinc/68/25/84/585682584.db2.gz QMLKHIDDJJWNIM-GFCCVEGCSA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C)c2[O-])C1 ZINC000775650108 585682585 /nfs/dbraw/zinc/68/25/85/585682585.db2.gz QMLKHIDDJJWNIM-GFCCVEGCSA-N 0 3 249.310 1.696 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@H]2CCN(C)C2)cc1C ZINC000776175030 585691676 /nfs/dbraw/zinc/69/16/76/585691676.db2.gz VWYWJPRRHCUJIA-ZDUSSCGKSA-N 0 3 234.343 1.803 20 10 BDCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000787420566 585909390 /nfs/dbraw/zinc/90/93/90/585909390.db2.gz IYECOHSCTKIPNA-PWSUYJOCSA-N 0 3 249.310 1.776 20 10 BDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H]1C ZINC000787420566 585909391 /nfs/dbraw/zinc/90/93/91/585909391.db2.gz IYECOHSCTKIPNA-PWSUYJOCSA-N 0 3 249.310 1.776 20 10 BDCDHN COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000792197602 585997559 /nfs/dbraw/zinc/99/75/59/585997559.db2.gz ZBIUMUBHKAQFHO-JQWIXIFHSA-N 0 3 249.310 1.824 20 10 BDCDHN C[C@@H]([NH2+]CCN1CCNC1=O)c1ccccc1[O-] ZINC000808744285 586486722 /nfs/dbraw/zinc/48/67/22/586486722.db2.gz XTFNMHOKNMPYDE-SNVBAGLBSA-N 0 3 249.314 1.068 20 10 BDCDHN C[S@@](=O)CCC[NH2+]Cc1ccccc1[O-] ZINC000116919996 589055513 /nfs/dbraw/zinc/05/55/13/589055513.db2.gz ZNNZLGYRWCQFHE-HNNXBMFYSA-N 0 3 227.329 1.250 20 10 BDCDHN [O-]c1ccccc1CN1CCC2(CC[NH2+]2)CC1 ZINC000817865143 586830717 /nfs/dbraw/zinc/83/07/17/586830717.db2.gz ISIRRCSIEBGYGO-UHFFFAOYSA-N 0 3 232.327 1.720 20 10 BDCDHN C[C@@H]1C[C@@H]([NH2+]CCN)c2c1c(F)ccc2[O-] ZINC000817935456 586843539 /nfs/dbraw/zinc/84/35/39/586843539.db2.gz WERXVXVPVNSXCG-VXNVDRBHSA-N 0 3 224.279 1.628 20 10 BDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCN)c1[O-] ZINC000817937613 586844264 /nfs/dbraw/zinc/84/42/64/586844264.db2.gz YKDMECOPRATMEY-QMMMGPOBSA-N 0 3 228.723 1.963 20 10 BDCDHN C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000817953307 586848612 /nfs/dbraw/zinc/84/86/12/586848612.db2.gz ZTIDAOBFFIIORT-QWRGUYRKSA-N 0 3 220.316 1.795 20 10 BDCDHN [O-]c1cccc2c1[C@@H](NC[C@@H]1CCC[NH2+]1)CC2 ZINC000817953602 586848639 /nfs/dbraw/zinc/84/86/39/586848639.db2.gz OXXXQNLHKJOAEM-RYUDHWBXSA-N 0 3 232.327 1.721 20 10 BDCDHN C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccccc1[O-] ZINC000817959436 586851501 /nfs/dbraw/zinc/85/15/01/586851501.db2.gz FYNNPADIMNHZSS-CABZTGNLSA-N 0 3 220.316 1.780 20 10 BDCDHN C[C@H](CN)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817962955 586852792 /nfs/dbraw/zinc/85/27/92/586852792.db2.gz PSQFSFXASMLSHY-RKDXNWHRSA-N 0 3 226.295 1.777 20 10 BDCDHN C[C@@H](CN)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817969659 586855922 /nfs/dbraw/zinc/85/59/22/586855922.db2.gz GFAGOWMBBNIUMJ-WCBMZHEXSA-N 0 3 206.289 1.316 20 10 BDCDHN CC[C@H]([NH2+]C[C@H](C)N)c1ccc(F)cc1[O-] ZINC000817974172 586860442 /nfs/dbraw/zinc/86/04/42/586860442.db2.gz ZXGLGKUJQDQNIF-KWQFWETISA-N 0 3 226.295 1.919 20 10 BDCDHN C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000817978195 586861991 /nfs/dbraw/zinc/86/19/91/586861991.db2.gz YGOVDJQJUIHOOZ-BBBLOLIVSA-N 0 3 208.305 1.779 20 10 BDCDHN NC(=O)CCNCc1ccc(N2CC=CC2)cc1 ZINC000819095767 586930723 /nfs/dbraw/zinc/93/07/23/586930723.db2.gz TZNPNUOGPYXZBV-UHFFFAOYSA-N 0 3 245.326 1.028 20 10 BDCDHN COC(=O)C1(C)CN(Cc2cc(C)ccc2O)C1 ZINC000822534447 587173640 /nfs/dbraw/zinc/17/36/40/587173640.db2.gz GUQNPVANOJUCGT-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN COCCC1C[NH+](Cc2ccccc2[O-])C1 ZINC000826899557 587364820 /nfs/dbraw/zinc/36/48/20/587364820.db2.gz OIWFNPVNKGJDNX-UHFFFAOYSA-N 0 3 221.300 1.861 20 10 BDCDHN COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000827812914 587404029 /nfs/dbraw/zinc/40/40/29/587404029.db2.gz ZERWDJJXOSCJLH-HAQNSBGRSA-N 0 3 249.310 1.742 20 10 BDCDHN Cc1cccc(CN2CCCN(C=O)CC2)c1O ZINC000827871447 587406426 /nfs/dbraw/zinc/40/64/26/587406426.db2.gz APNUSBHOQNFECP-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN COc1cccc(CN(C)C2(CO)CC2)c1O ZINC000827904242 587409588 /nfs/dbraw/zinc/40/95/88/587409588.db2.gz XRGQWTDCIXLDIV-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[N@H+](C)C2(CO)CC2)c1[O-] ZINC000827904242 587409589 /nfs/dbraw/zinc/40/95/89/587409589.db2.gz XRGQWTDCIXLDIV-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[N@@H+](C)C2(CO)CC2)c1[O-] ZINC000827904242 587409591 /nfs/dbraw/zinc/40/95/91/587409591.db2.gz XRGQWTDCIXLDIV-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1[O-] ZINC000834907735 587770170 /nfs/dbraw/zinc/77/01/70/587770170.db2.gz AZZKJIDDABMXSU-IINYFYTJSA-N 0 3 248.326 1.712 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000834907312 587770323 /nfs/dbraw/zinc/77/03/23/587770323.db2.gz NOPLOJVVWPJVHD-OUAUKWLOSA-N 0 3 248.326 1.697 20 10 BDCDHN CC(C)C[C@H](CN)[NH2+]Cc1cccc(F)c1[O-] ZINC000841037550 587938101 /nfs/dbraw/zinc/93/81/01/587938101.db2.gz AMIMARMOGUGEJD-LLVKDONJSA-N 0 3 240.322 1.994 20 10 BDCDHN [O-]c1ccc(F)cc1CN[C@H]1CCCC[NH2+]C1 ZINC000841090407 587945492 /nfs/dbraw/zinc/94/54/92/587945492.db2.gz OQBGADUQGHAIPB-LBPRGKRZSA-N 0 3 238.306 1.763 20 10 BDCDHN COc1cccc([O-])c1CN(C)CCC[NH3+] ZINC000843050176 588076798 /nfs/dbraw/zinc/07/67/98/588076798.db2.gz AHGIPRAKGINHEQ-UHFFFAOYSA-N 0 3 224.304 1.181 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]CC[C@@H](C)O)c1[O-] ZINC000846147950 588258616 /nfs/dbraw/zinc/25/86/16/588258616.db2.gz WFSPZEKLITUWHP-ZJUUUORDSA-N 0 3 239.315 1.822 20 10 BDCDHN C[C@@H]1CN(C(=[NH2+])NCc2ccccc2[O-])CCO1 ZINC000848984858 588425220 /nfs/dbraw/zinc/42/52/20/588425220.db2.gz MAJWEVPJUCWZCK-SNVBAGLBSA-N 0 3 249.314 1.137 20 10 BDCDHN COc1ccc(CNC(=[NH2+])N2CCC2)c([O-])c1 ZINC000849025255 588440388 /nfs/dbraw/zinc/44/03/88/588440388.db2.gz WCMXPILMZOPJKF-UHFFFAOYSA-N 0 3 235.287 1.131 20 10 BDCDHN COc1ccc(CNC2=[NH+]CCCCN2)c([O-])c1 ZINC000849216642 588462735 /nfs/dbraw/zinc/46/27/35/588462735.db2.gz ONQPAENFWRAINS-UHFFFAOYSA-N 0 3 249.314 1.230 20 10 BDCDHN COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000850113624 588520499 /nfs/dbraw/zinc/52/04/99/588520499.db2.gz OYHCZLMWQNRPRJ-YUSALJHKSA-N 0 3 249.310 1.679 20 10 BDCDHN COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000850113623 588520506 /nfs/dbraw/zinc/52/05/06/588520506.db2.gz OYHCZLMWQNRPRJ-MVWJERBFSA-N 0 3 249.310 1.679 20 10 BDCDHN CN(C)c1ccc(/C=C\CN[C@H]2C[C@H](O)C2)cc1 ZINC000850417731 588545129 /nfs/dbraw/zinc/54/51/29/588545129.db2.gz JWKRTKKGNKTYIK-HFZCLPNCSA-N 0 3 246.354 1.879 20 10 BDCDHN COc1ccc(CN[C@H]2C[C@H](O)C2)cc1C ZINC000850417914 588545175 /nfs/dbraw/zinc/54/51/75/588545175.db2.gz QWODNWCDUCUQGA-HAQNSBGRSA-N 0 3 221.300 1.617 20 10 BDCDHN COC(=O)C1=CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000862465885 589215998 /nfs/dbraw/zinc/21/59/98/589215998.db2.gz WAGNAUNBVDAOPZ-GFCCVEGCSA-N 0 3 247.294 1.744 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1(C)COC1 ZINC000862477762 589216418 /nfs/dbraw/zinc/21/64/18/589216418.db2.gz QLIHVLQELKTJHU-UHFFFAOYSA-N 0 3 239.290 2.000 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1(C)COC1 ZINC000862477762 589216420 /nfs/dbraw/zinc/21/64/20/589216420.db2.gz QLIHVLQELKTJHU-UHFFFAOYSA-N 0 3 239.290 2.000 20 10 BDCDHN COc1cccc(CNC(=[NH2+])N[C@@H]2C[C@H]2C)c1[O-] ZINC000864455964 589366763 /nfs/dbraw/zinc/36/67/63/589366763.db2.gz AZHVGNLNKASTQI-PSASIEDQSA-N 0 3 249.314 1.423 20 10 BDCDHN COC[C@@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020087724 590071873 /nfs/dbraw/zinc/07/18/73/590071873.db2.gz IISOBCDJUCVSPD-SECBINFHSA-N 0 3 225.288 1.525 20 10 BDCDHN Cc1cccc([O-])c1C[NH+]1CCC(O)CC1 ZINC000876541057 590212264 /nfs/dbraw/zinc/21/22/64/590212264.db2.gz SFETVYZIBXOWCU-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876594464 590219891 /nfs/dbraw/zinc/21/98/91/590219891.db2.gz NRCUUXZIMYAUBB-LLVKDONJSA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876594464 590219892 /nfs/dbraw/zinc/21/98/92/590219892.db2.gz NRCUUXZIMYAUBB-LLVKDONJSA-N 0 3 249.310 1.696 20 10 BDCDHN Cc1ccc(CN2CCC3(C2)OCCO3)c(O)c1 ZINC000876685044 590230402 /nfs/dbraw/zinc/23/04/02/590230402.db2.gz WQBSAANLKAWQBT-UHFFFAOYSA-N 0 3 249.310 1.649 20 10 BDCDHN CC[N@H+](CCCO)Cc1c(C)cccc1[O-] ZINC000876766992 590239891 /nfs/dbraw/zinc/23/98/91/590239891.db2.gz XYNHIZCIAVJDSG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CC[N@@H+](CCCO)Cc1c(C)cccc1[O-] ZINC000876766992 590239892 /nfs/dbraw/zinc/23/98/92/590239892.db2.gz XYNHIZCIAVJDSG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1ccc(C[NH2+]CCn2ccnc2)c([O-])c1 ZINC000876892200 590255146 /nfs/dbraw/zinc/25/51/46/590255146.db2.gz NBCQMOMAZONKDF-UHFFFAOYSA-N 0 3 231.299 1.687 20 10 BDCDHN Cc1ccc(C[NH2+]C2CCOCC2)c([O-])c1 ZINC000876949611 590259950 /nfs/dbraw/zinc/25/99/50/590259950.db2.gz SUEOMWUGFHKYLC-UHFFFAOYSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc(C[NH2+]CC2(C)COC2)c([O-])c1 ZINC000877031846 590271594 /nfs/dbraw/zinc/27/15/94/590271594.db2.gz VYTJGZIEEWBYJK-UHFFFAOYSA-N 0 3 221.300 1.827 20 10 BDCDHN CC[C@H](O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877110678 590287031 /nfs/dbraw/zinc/28/70/31/590287031.db2.gz CBEWFSCBSKIHJN-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+]CC(C)(C)CO)c([O-])c1 ZINC000877117687 590288628 /nfs/dbraw/zinc/28/86/28/590288628.db2.gz PFCBIIFSKXMXPP-UHFFFAOYSA-N 0 3 223.316 1.809 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCCOCCO ZINC000877186431 590298526 /nfs/dbraw/zinc/29/85/26/590298526.db2.gz OBNAHKSIYVWYHR-UHFFFAOYSA-N 0 3 239.315 1.189 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)C[C@H](C)O)c([O-])c1 ZINC000877195861 590299335 /nfs/dbraw/zinc/29/93/35/590299335.db2.gz PBDIYTNQKWHZFV-MNOVXSKESA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCCn2ccnn2)c1 ZINC000126473106 590316077 /nfs/dbraw/zinc/31/60/77/590316077.db2.gz OMQGTZKPXCJBJH-UHFFFAOYSA-N 0 3 246.314 1.472 20 10 BDCDHN Cc1ccc(C[NH2+]C2(CC(N)=O)CCC2)c([O-])c1 ZINC000877412220 590324412 /nfs/dbraw/zinc/32/44/12/590324412.db2.gz WARVFQSBMQDOSI-UHFFFAOYSA-N 0 3 248.326 1.588 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CC1CC(O)C1 ZINC000877463419 590332190 /nfs/dbraw/zinc/33/21/90/590332190.db2.gz CRIMERIXIXAFMD-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CC1CC(O)C1 ZINC000877463419 590332192 /nfs/dbraw/zinc/33/21/92/590332192.db2.gz CRIMERIXIXAFMD-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)CN(C)C)c([O-])c1 ZINC000877523823 590346327 /nfs/dbraw/zinc/34/63/27/590346327.db2.gz ZPKKSTYIUMAQHR-NSHDSACASA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000877579058 590364469 /nfs/dbraw/zinc/36/44/69/590364469.db2.gz RUSUSQZIKDDIME-DGCLKSJQSA-N 0 3 221.300 1.704 20 10 BDCDHN Cc1ccc(C[NH2+]CCc2cn(C)cn2)c([O-])c1 ZINC000877584806 590367575 /nfs/dbraw/zinc/36/75/75/590367575.db2.gz ZBVSYMMFTYTQTH-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN CO[C@@]1(C)C[C@H]1[NH2+]Cc1c(C)cccc1[O-] ZINC000877641030 590383213 /nfs/dbraw/zinc/38/32/13/590383213.db2.gz UTIIDSSIJPOCNV-OLZOCXBDSA-N 0 3 221.300 1.968 20 10 BDCDHN Cc1ccc(C[NH2+]CCOCCF)c([O-])c1 ZINC000877644732 590383775 /nfs/dbraw/zinc/38/37/75/590383775.db2.gz RUYVOUVQWSCGTK-UHFFFAOYSA-N 0 3 227.279 1.776 20 10 BDCDHN C[C@@H]1CCN[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000127714615 590758462 /nfs/dbraw/zinc/75/84/62/590758462.db2.gz SGBABAVXEMQNQV-ZYHUDNBSSA-N 0 3 248.326 1.397 20 10 BDCDHN C[C@@H]([NH2+]CCc1cn(C)nn1)c1ccccc1[O-] ZINC000879650163 590842418 /nfs/dbraw/zinc/84/24/18/590842418.db2.gz MPDDTRVKFNHHIE-SNVBAGLBSA-N 0 3 246.314 1.414 20 10 BDCDHN C[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1ccccc1[O-] ZINC000879650360 590843781 /nfs/dbraw/zinc/84/37/81/590843781.db2.gz WQGJEXYYLWNLPU-WDEREUQCSA-N 0 3 248.326 1.569 20 10 BDCDHN Cc1cc(CN2C[C@H]3C[C@@]3(O)C2)ccc1N(C)C ZINC000880420031 591029539 /nfs/dbraw/zinc/02/95/39/591029539.db2.gz WKOMMNAOMZMVLZ-UKRRQHHQSA-N 0 3 246.354 1.628 20 10 BDCDHN O=C(NCc1ccccc1O)[C@@H]1CCCCN1 ZINC000132520398 591715952 /nfs/dbraw/zinc/71/59/52/591715952.db2.gz HBLZEVQKGCKQJD-NSHDSACASA-N 0 3 234.299 1.151 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1[O-] ZINC000133259253 591781036 /nfs/dbraw/zinc/78/10/36/591781036.db2.gz FJFPAGHGHYRMLF-VXGBXAGGSA-N 0 3 221.300 1.704 20 10 BDCDHN C[C@H]1CN(Cc2cc(F)ccc2[O-])CC[C@@H]1[NH3+] ZINC000220189327 592287646 /nfs/dbraw/zinc/28/76/46/592287646.db2.gz VKQVLPSAKUBEOS-CABZTGNLSA-N 0 3 238.306 1.700 20 10 BDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCO)c1[O-] ZINC000309115180 631887572 /nfs/dbraw/zinc/88/75/72/631887572.db2.gz LGSHPHFRIOKRFP-MRVPVSSYSA-N 0 3 229.707 1.997 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)CC1CC1 ZINC000309560739 632533492 /nfs/dbraw/zinc/53/34/92/632533492.db2.gz JEEQCYZKOAQYOJ-GFCCVEGCSA-N 0 3 221.300 1.643 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC[C@@H](C)O ZINC000309917384 632680597 /nfs/dbraw/zinc/68/05/97/632680597.db2.gz QEJUIIYBGDSKMD-SECBINFHSA-N 0 3 225.288 1.261 20 10 BDCDHN C=Cn1cc(C[NH2+]Cc2ccccc2[O-])cn1 ZINC000236565406 632981126 /nfs/dbraw/zinc/98/11/26/632981126.db2.gz SXASWLFJASRTSE-UHFFFAOYSA-N 0 3 229.283 1.979 20 10 BDCDHN CCCN1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000328527888 633771872 /nfs/dbraw/zinc/77/18/72/633771872.db2.gz VNHPPVJJUIVGEQ-CYBMUJFWSA-N 0 3 234.343 1.966 20 10 BDCDHN C[S@@](=O)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000309882318 633899183 /nfs/dbraw/zinc/89/91/83/633899183.db2.gz WEXNUAAALPCRNL-MRXNPFEDSA-N 0 3 239.340 1.393 20 10 BDCDHN CC(C)(CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226617532 635438075 /nfs/dbraw/zinc/43/80/75/635438075.db2.gz CJFRXPZCPJSEFJ-UHFFFAOYSA-N 0 3 227.279 1.639 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)c([O-])c1 ZINC000897355076 636376327 /nfs/dbraw/zinc/37/63/27/636376327.db2.gz CSDIWPKTQSFKDR-UMSPYCQHSA-N 0 3 221.300 1.561 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1[O-] ZINC000042544121 637281120 /nfs/dbraw/zinc/28/11/20/637281120.db2.gz APWITNXQFKBVDN-QWRGUYRKSA-N 0 3 220.316 1.747 20 10 BDCDHN C[NH2+][C@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000150075490 639298496 /nfs/dbraw/zinc/29/84/96/639298496.db2.gz PKILYXKCDGUNCD-VIFPVBQESA-N 0 3 240.734 1.839 20 10 BDCDHN CC[S@@](=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163978519 640431504 /nfs/dbraw/zinc/43/15/04/640431504.db2.gz HHEDPFKAYLNQAQ-QFYYESIMSA-N 0 3 241.356 1.811 20 10 BDCDHN C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163988377 640433950 /nfs/dbraw/zinc/43/39/50/640433950.db2.gz JRLIEGIHMNPHAY-IUCAKERBSA-N 0 3 222.288 1.307 20 10 BDCDHN CCCN(Cc1ccccc1O)[C@H](C)C(N)=O ZINC000174372661 641274474 /nfs/dbraw/zinc/27/44/74/641274474.db2.gz SDGUSFQNGNJLMU-SNVBAGLBSA-N 0 3 236.315 1.478 20 10 BDCDHN CCC[N@H+](Cc1ccccc1[O-])[C@H](C)C(N)=O ZINC000174372661 641274483 /nfs/dbraw/zinc/27/44/83/641274483.db2.gz SDGUSFQNGNJLMU-SNVBAGLBSA-N 0 3 236.315 1.478 20 10 BDCDHN CCC[N@@H+](Cc1ccccc1[O-])[C@H](C)C(N)=O ZINC000174372661 641274490 /nfs/dbraw/zinc/27/44/90/641274490.db2.gz SDGUSFQNGNJLMU-SNVBAGLBSA-N 0 3 236.315 1.478 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914433010 641702387 /nfs/dbraw/zinc/70/23/87/641702387.db2.gz IZYFJCKAVVQUOW-OLZOCXBDSA-N 0 3 233.311 1.907 20 10 BDCDHN C[C@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1[O-] ZINC000070880978 642446647 /nfs/dbraw/zinc/44/66/47/642446647.db2.gz LEMYBCKYWASALJ-TVQRCGJNSA-N 0 3 221.300 1.814 20 10 BDCDHN COC(OC)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000070652995 643053513 /nfs/dbraw/zinc/05/35/13/643053513.db2.gz QMFUYOJPTYEZLS-SECBINFHSA-N 0 3 225.288 1.489 20 10 BDCDHN Cc1ccc(C[NH2+]CCCCCO)c([O-])c1 ZINC000083352855 644403526 /nfs/dbraw/zinc/40/35/26/644403526.db2.gz BOXKHKZSEMKJKF-UHFFFAOYSA-N 0 3 223.316 1.953 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H](C)C[C@H](C)O ZINC000782977468 644749809 /nfs/dbraw/zinc/74/98/09/644749809.db2.gz FXFSVXNQGGFYMZ-ZJUUUORDSA-N 0 3 239.315 1.650 20 10 BDCDHN CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1[O-] ZINC000846046963 645391202 /nfs/dbraw/zinc/39/12/02/645391202.db2.gz RBUYHCYPMCUARF-JFGNBEQYSA-N 0 3 248.326 1.697 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@H]1CCOC1)CC2 ZINC000381496010 710645832 /nfs/dbraw/zinc/64/58/32/710645832.db2.gz BFMOYAIFBIECIT-QWRGUYRKSA-N 0 3 219.284 1.758 20 10 BDCDHN C[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1[O-] ZINC000722393972 710711812 /nfs/dbraw/zinc/71/18/12/710711812.db2.gz CNXVPUGWLJKLRA-SECBINFHSA-N 0 3 224.279 1.325 20 10 BDCDHN COC[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000382548963 710973030 /nfs/dbraw/zinc/97/30/30/710973030.db2.gz GWHJOWAVEJKDJA-GXFFZTMASA-N 0 3 239.315 1.440 20 10 BDCDHN CON(C)C(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000397521995 711385332 /nfs/dbraw/zinc/38/53/32/711385332.db2.gz JWUGWOHYVXCYEB-SECBINFHSA-N 0 3 238.287 1.063 20 10 BDCDHN CON(C)C(=O)CN[C@H](C)c1ccccc1O ZINC000397521995 711385337 /nfs/dbraw/zinc/38/53/37/711385337.db2.gz JWUGWOHYVXCYEB-SECBINFHSA-N 0 3 238.287 1.063 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])[C@H]1CN2CCC1CC2 ZINC000386444794 711030319 /nfs/dbraw/zinc/03/03/19/711030319.db2.gz CFCIBMFXMONKIW-AWEZNQCLSA-N 0 3 246.354 1.918 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])[C@H]1CN2CCC1CC2 ZINC000386444794 711030324 /nfs/dbraw/zinc/03/03/24/711030324.db2.gz CFCIBMFXMONKIW-AWEZNQCLSA-N 0 3 246.354 1.918 20 10 BDCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CCN1C ZINC000090721242 711503138 /nfs/dbraw/zinc/50/31/38/711503138.db2.gz ULPUYZMYDUJNPC-YPMHNXCESA-N 0 3 234.343 1.965 20 10 BDCDHN CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)N ZINC000037807402 712761797 /nfs/dbraw/zinc/76/17/97/712761797.db2.gz SKTUTFUYNOTGAT-LLVKDONJSA-N 0 3 249.358 1.448 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1COCCO1)c1ccccc1[O-] ZINC000038060524 712804098 /nfs/dbraw/zinc/80/40/98/712804098.db2.gz RGYADTQDGYJZCU-QWRGUYRKSA-N 0 3 237.299 1.458 20 10 BDCDHN C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CCN1C ZINC000719621393 712817428 /nfs/dbraw/zinc/81/74/28/712817428.db2.gz ZVVBUEIJJDPUQL-CABZTGNLSA-N 0 3 238.306 1.714 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000720976139 712884860 /nfs/dbraw/zinc/88/48/60/712884860.db2.gz DDHSKTPLTPNWFL-GMTAPVOTSA-N 0 3 221.300 1.814 20 10 BDCDHN Cc1cc(F)cc(CN2CCN(C)CC2)c1O ZINC001238055660 980132849 /nfs/dbraw/zinc/13/28/49/980132849.db2.gz BLSGTTAPHBIFID-UHFFFAOYSA-N 0 3 238.306 1.587 20 10 BDCDHN C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CO1 ZINC000402183630 970769207 /nfs/dbraw/zinc/76/92/07/970769207.db2.gz BQCFVGZFAGROPQ-GZMMTYOYSA-N 0 3 225.263 1.798 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H]1CO ZINC000092470723 958650334 /nfs/dbraw/zinc/65/03/34/958650334.db2.gz UVXWVXVMHMDCPS-SNVBAGLBSA-N 0 3 223.272 1.055 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H]1CO ZINC000092470723 958650357 /nfs/dbraw/zinc/65/03/57/958650357.db2.gz UVXWVXVMHMDCPS-SNVBAGLBSA-N 0 3 223.272 1.055 20 10 BDCDHN CO[C@@H](C)CC[NH2+]Cc1ccccc1[O-] ZINC000263818868 959577633 /nfs/dbraw/zinc/57/76/33/959577633.db2.gz PJGXNKHUMSFKBR-JTQLQIEISA-N 0 3 209.289 1.907 20 10 BDCDHN C[C@@H](CC(N)=O)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000383581201 963582463 /nfs/dbraw/zinc/58/24/63/963582463.db2.gz FLIXXCWEWWFSFX-WPRPVWTQSA-N 0 3 234.299 1.233 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC001203549943 966678478 /nfs/dbraw/zinc/67/84/78/966678478.db2.gz DMYWUJBDVWFBFE-MFKMUULPSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC001203549943 966678484 /nfs/dbraw/zinc/67/84/84/966678484.db2.gz DMYWUJBDVWFBFE-MFKMUULPSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@]1(C)O ZINC001203550088 966681709 /nfs/dbraw/zinc/68/17/09/966681709.db2.gz HFOCLSFMOCGTNS-RISCZKNCSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@]1(C)O ZINC001203550088 966681723 /nfs/dbraw/zinc/68/17/23/966681723.db2.gz HFOCLSFMOCGTNS-RISCZKNCSA-N 0 3 235.327 1.985 20 10 BDCDHN CN(C)C1CN(Cc2ccccc2O)C1 ZINC001203550153 966682089 /nfs/dbraw/zinc/68/20/89/966682089.db2.gz KGQITWIFUBYSBA-UHFFFAOYSA-N 0 3 206.289 1.138 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])CC[C@@]1(C)O ZINC001203549925 966685720 /nfs/dbraw/zinc/68/57/20/966685720.db2.gz DASBWCQDWBAZNA-BXUZGUMPSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@@]1(C)O ZINC001203549925 966685732 /nfs/dbraw/zinc/68/57/32/966685732.db2.gz DASBWCQDWBAZNA-BXUZGUMPSA-N 0 3 235.327 1.985 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@@H]2C)c([O-])c1 ZINC001203621275 966709241 /nfs/dbraw/zinc/70/92/41/966709241.db2.gz QWPHSNQMCFXIIM-VIFPVBQESA-N 0 3 207.273 1.995 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@@H]2C)c([O-])c1 ZINC001203621275 966709248 /nfs/dbraw/zinc/70/92/48/966709248.db2.gz QWPHSNQMCFXIIM-VIFPVBQESA-N 0 3 207.273 1.995 20 10 BDCDHN Oc1ccc(CN2CCCC[C@H](O)C2)cc1O ZINC001203875837 966805218 /nfs/dbraw/zinc/80/52/18/966805218.db2.gz XBBKXRHHSGVRGR-NSHDSACASA-N 0 3 237.299 1.445 20 10 BDCDHN COc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000402008149 970751970 /nfs/dbraw/zinc/75/19/70/970751970.db2.gz AHVRCDDEPMPJDJ-ONGXEEELSA-N 0 3 237.299 1.668 20 10 BDCDHN Cc1c(CNCc2ccc(N)cc2)cnn1C ZINC001334775134 976640819 /nfs/dbraw/zinc/64/08/19/976640819.db2.gz SLRWVNYQGAOUAR-UHFFFAOYSA-N 0 3 230.315 1.601 20 10 BDCDHN Cc1cnccc1Nc1cc(N)ccc1O ZINC001174540027 976833188 /nfs/dbraw/zinc/83/31/88/976833188.db2.gz RVQLQCVMQFUCMF-UHFFFAOYSA-N 0 3 215.256 1.843 20 10 BDCDHN COc1cc(CN2CC[C@@H]2C)c(O)cc1O ZINC001231635096 977651797 /nfs/dbraw/zinc/65/17/97/977651797.db2.gz VSZJWSGCCTZXSY-QMMMGPOBSA-N 0 3 223.272 1.701 20 10 BDCDHN [O-]c1cccc2c1C[N@H+](CCCCO)CC2 ZINC001236073609 979363501 /nfs/dbraw/zinc/36/35/01/979363501.db2.gz VDRUCBYOCWFMME-UHFFFAOYSA-N 0 3 221.300 1.523 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+](CCCCO)CC2 ZINC001236073609 979363509 /nfs/dbraw/zinc/36/35/09/979363509.db2.gz VDRUCBYOCWFMME-UHFFFAOYSA-N 0 3 221.300 1.523 20 10 BDCDHN [NH3+]C[C@H]1CCCN1Cc1ccc(Cl)cc1[O-] ZINC001236245140 979467779 /nfs/dbraw/zinc/46/77/79/979467779.db2.gz JZLLYRITXZZMTL-LLVKDONJSA-N 0 3 240.734 1.969 20 10 BDCDHN CCc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001236784310 979729067 /nfs/dbraw/zinc/72/90/67/979729067.db2.gz UNXZWRJXELNHEH-CYBMUJFWSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1ccc(C[N@H+]2CCC[C@@H](O)C2)c([O-])c1 ZINC001236784310 979729073 /nfs/dbraw/zinc/72/90/73/979729073.db2.gz UNXZWRJXELNHEH-CYBMUJFWSA-N 0 3 235.327 1.911 20 10 BDCDHN CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC001203562049 979793795 /nfs/dbraw/zinc/79/37/95/979793795.db2.gz CDXFCWRQEDFLOX-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN CCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC001203562049 979793808 /nfs/dbraw/zinc/79/38/08/979793808.db2.gz CDXFCWRQEDFLOX-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN CC(C)c1ccc(CN2CC(C(N)=O)C2)c(O)c1 ZINC001237049413 979810208 /nfs/dbraw/zinc/81/02/08/979810208.db2.gz OIDXUPJZPADRPP-UHFFFAOYSA-N 0 3 248.326 1.433 20 10 BDCDHN CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000152881529 979819023 /nfs/dbraw/zinc/81/90/23/979819023.db2.gz SNEPBVIONVSTPX-LBPRGKRZSA-N 0 3 234.299 1.103 20 10 BDCDHN Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2N[C@H]1CNOC1 ZINC001350958958 982137799 /nfs/dbraw/zinc/13/77/99/982137799.db2.gz WWBASPXVIQSLDM-DCAQKATOSA-N 0 3 248.326 1.742 20 10 BDCDHN Oc1ccc(CN2CCC[C@@]23CCOC3)cc1O ZINC001203878564 982566069 /nfs/dbraw/zinc/56/60/69/982566069.db2.gz CPFADUMHWBKKPD-AWEZNQCLSA-N 0 3 249.310 1.853 20 10 BDCDHN C[C@H]([NH2+]CC1=NOCC1)c1ccccc1[O-] ZINC001460639396 985870558 /nfs/dbraw/zinc/87/05/58/985870558.db2.gz SCDYXUPGVVUKIZ-VIFPVBQESA-N 0 3 220.272 1.819 20 10 BDCDHN CC[C@@H](C)C[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC001122172277 990277641 /nfs/dbraw/zinc/27/76/41/990277641.db2.gz BLIHYHPTGDYKMA-MFKMUULPSA-N 0 3 249.358 1.995 20 10 BDCDHN Oc1ccc(F)cc1CN1CC[C@@H](F)[C@H](O)C1 ZINC001140058328 991507518 /nfs/dbraw/zinc/50/75/18/991507518.db2.gz WWOVZAHNKOIAON-ZYHUDNBSSA-N 0 3 243.253 1.436 20 10 BDCDHN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140058216 991509245 /nfs/dbraw/zinc/50/92/45/991509245.db2.gz VGJLOJTYRUARTC-ZJUUUORDSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140058216 991509253 /nfs/dbraw/zinc/50/92/53/991509253.db2.gz VGJLOJTYRUARTC-ZJUUUORDSA-N 0 3 239.290 1.734 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1C ZINC000266204935 178196723 /nfs/dbraw/zinc/19/67/23/178196723.db2.gz MHNXCSVKFLGXDH-GFCCVEGCSA-N 0 3 248.326 1.329 20 10 BDCDHN Cc1cc(O)c(CN[C@@H]2CC(=O)N(C)C2)cc1C ZINC000266204935 178196728 /nfs/dbraw/zinc/19/67/28/178196728.db2.gz MHNXCSVKFLGXDH-GFCCVEGCSA-N 0 3 248.326 1.329 20 10 BDCDHN CC[C@H]([NH2+]CCN(C)C)c1ccccc1[O-] ZINC000021962851 343031165 /nfs/dbraw/zinc/03/11/65/343031165.db2.gz IRKQVCLJRCIFPI-LBPRGKRZSA-N 0 3 222.332 1.995 20 10 BDCDHN C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccccc1[O-] ZINC000037782333 343354913 /nfs/dbraw/zinc/35/49/13/343354913.db2.gz ZXBFRHASXCVETB-NSHDSACASA-N 0 3 248.326 1.493 20 10 BDCDHN CN(C)c1ccc(CNC(=O)C(C)(C)N)cc1 ZINC000040925127 343411485 /nfs/dbraw/zinc/41/14/85/343411485.db2.gz KSNFYRYQJYICKC-UHFFFAOYSA-N 0 3 235.331 1.106 20 10 BDCDHN CC[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000128446206 345235770 /nfs/dbraw/zinc/23/57/70/345235770.db2.gz NIHQGOKRKFNXTA-LLVKDONJSA-N 0 3 209.289 1.595 20 10 BDCDHN CC[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000128446206 345235772 /nfs/dbraw/zinc/23/57/72/345235772.db2.gz NIHQGOKRKFNXTA-LLVKDONJSA-N 0 3 209.289 1.595 20 10 BDCDHN Cc1cccc(C[NH2+]C2CCOCC2)c1[O-] ZINC000162828417 179090430 /nfs/dbraw/zinc/09/04/30/179090430.db2.gz MJXOOGSDSFUGDG-UHFFFAOYSA-N 0 3 221.300 1.969 20 10 BDCDHN CC[C@@H](O)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000162707601 346535128 /nfs/dbraw/zinc/53/51/28/346535128.db2.gz OGZPYHXVMOFFQT-GFCCVEGCSA-N 0 3 223.316 1.951 20 10 BDCDHN COc1ccc(CNCCOCCO)cc1C ZINC000035052714 188284927 /nfs/dbraw/zinc/28/49/27/188284927.db2.gz NYEUBJXAUOKEGE-UHFFFAOYSA-N 0 3 239.315 1.102 20 10 BDCDHN OCCNCc1ccc2c(c1)CCCO2 ZINC000082532866 188294762 /nfs/dbraw/zinc/29/47/62/188294762.db2.gz MHPBNWXOYOXNQB-UHFFFAOYSA-N 0 3 207.273 1.094 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000070955761 188305915 /nfs/dbraw/zinc/30/59/15/188305915.db2.gz LRJGPPAHFIMQHK-CYBMUJFWSA-N 0 3 221.300 1.561 20 10 BDCDHN CC(C)[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000169813693 188339000 /nfs/dbraw/zinc/33/90/00/188339000.db2.gz HEGCDNWMICIEJZ-JTQLQIEISA-N 0 3 207.277 1.191 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CC2 ZINC000296979810 353838334 /nfs/dbraw/zinc/83/83/34/353838334.db2.gz RWZFEWREFMRIKD-CYZMBNFOSA-N 0 3 245.322 1.906 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)C1CC1 ZINC000179932511 183068797 /nfs/dbraw/zinc/06/87/97/183068797.db2.gz XMCSDVLBISKPAO-UHFFFAOYSA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)C1CC1 ZINC000179932511 183068798 /nfs/dbraw/zinc/06/87/98/183068798.db2.gz XMCSDVLBISKPAO-UHFFFAOYSA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@H](CO)C1 ZINC000180026194 183153374 /nfs/dbraw/zinc/15/33/74/183153374.db2.gz HKOQCUSWJFARRP-VIFPVBQESA-N 0 3 225.263 1.346 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@H](CO)C1 ZINC000180026194 183153376 /nfs/dbraw/zinc/15/33/76/183153376.db2.gz HKOQCUSWJFARRP-VIFPVBQESA-N 0 3 225.263 1.346 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000226612937 183274895 /nfs/dbraw/zinc/27/48/95/183274895.db2.gz JEZSBSUPELOPSQ-JOYOIKCWSA-N 0 3 239.290 1.782 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000187985603 183275136 /nfs/dbraw/zinc/27/51/36/183275136.db2.gz OAXBFHIXOVXFMX-BXKDBHETSA-N 0 3 239.290 1.782 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000294231195 183301738 /nfs/dbraw/zinc/30/17/38/183301738.db2.gz ZHWQKDQCQYOXFT-LBPRGKRZSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@H](O)CC1 ZINC000294231195 183301741 /nfs/dbraw/zinc/30/17/41/183301741.db2.gz ZHWQKDQCQYOXFT-LBPRGKRZSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364506964 183302386 /nfs/dbraw/zinc/30/23/86/183302386.db2.gz HHSNOSAITZGYSQ-GFCCVEGCSA-N 0 3 244.298 1.431 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](n2cncn2)C1 ZINC000364506964 183302387 /nfs/dbraw/zinc/30/23/87/183302387.db2.gz HHSNOSAITZGYSQ-GFCCVEGCSA-N 0 3 244.298 1.431 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000368443625 183302452 /nfs/dbraw/zinc/30/24/52/183302452.db2.gz UWLFLPNGCKLHQO-GFCCVEGCSA-N 0 3 233.311 1.861 20 10 BDCDHN CCCN1CCN(Cc2ccc(N)cc2)CC1 ZINC000019726897 169202766 /nfs/dbraw/zinc/20/27/66/169202766.db2.gz IROSHQYEWRDFEW-UHFFFAOYSA-N 0 3 233.359 1.796 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCN(C)C)c1 ZINC000035628437 383865466 /nfs/dbraw/zinc/86/54/66/383865466.db2.gz WDDLFKIAWSNAIV-LLVKDONJSA-N 0 3 222.332 1.913 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CCOCCO)c1 ZINC000035628944 383867321 /nfs/dbraw/zinc/86/73/21/383867321.db2.gz QKBYOPMNURIXRA-NSHDSACASA-N 0 3 239.315 1.360 20 10 BDCDHN CN(C)c1ccc(CNCc2cncn2C)cc1 ZINC000112339226 383917310 /nfs/dbraw/zinc/91/73/10/383917310.db2.gz UGKPHMFHJZLLDR-UHFFFAOYSA-N 0 3 244.342 1.776 20 10 BDCDHN CC[C@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296224265 383978042 /nfs/dbraw/zinc/97/80/42/383978042.db2.gz ZXIAQPFFUPNMQR-GHMZBOCLSA-N 0 3 221.300 1.740 20 10 BDCDHN C[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1[O-] ZINC000041158892 384181008 /nfs/dbraw/zinc/18/10/08/384181008.db2.gz JNNZPKUEDXYIRA-JTQLQIEISA-N 0 3 231.299 1.977 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000092764597 384194540 /nfs/dbraw/zinc/19/45/40/384194540.db2.gz VEQYQCRGMKYXLI-LLVKDONJSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000092764597 384194546 /nfs/dbraw/zinc/19/45/46/384194546.db2.gz VEQYQCRGMKYXLI-LLVKDONJSA-N 0 3 221.300 1.515 20 10 BDCDHN COC[C@H](C)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000132679300 384244451 /nfs/dbraw/zinc/24/44/51/384244451.db2.gz WLKJJYKWRFEXJY-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN COC[C@H](C)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000132679300 384244453 /nfs/dbraw/zinc/24/44/53/384244453.db2.gz WLKJJYKWRFEXJY-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN CCN(C)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000162833599 384692830 /nfs/dbraw/zinc/69/28/30/384692830.db2.gz WSCWQTCQVNHOJG-UHFFFAOYSA-N 0 3 222.332 1.742 20 10 BDCDHN CCOc1cccc(CN2CC[C@H](O)C2)c1O ZINC000271117748 384706234 /nfs/dbraw/zinc/70/62/34/384706234.db2.gz WTPPUTDCTZVLHR-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN CCOc1cccc(C[N@@H+]2CC[C@H](O)C2)c1[O-] ZINC000271117748 384706239 /nfs/dbraw/zinc/70/62/39/384706239.db2.gz WTPPUTDCTZVLHR-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN CCOc1cccc(C[N@H+]2CC[C@H](O)C2)c1[O-] ZINC000271117748 384706246 /nfs/dbraw/zinc/70/62/46/384706246.db2.gz WTPPUTDCTZVLHR-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN Nc1ccc(NC(=O)C2(N)CCCCC2)cc1 ZINC000294841444 385903862 /nfs/dbraw/zinc/90/38/62/385903862.db2.gz TZSFFVZCIIJRSR-UHFFFAOYSA-N 0 3 233.315 1.869 20 10 BDCDHN COC(=O)c1cnc(SCCN(C)C)s1 ZINC000294925161 385918487 /nfs/dbraw/zinc/91/84/87/385918487.db2.gz CPVOVNIEJQWPBG-UHFFFAOYSA-N 0 3 246.357 1.583 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000235893709 386201626 /nfs/dbraw/zinc/20/16/26/386201626.db2.gz XBARFFRNRPTQRV-AWEZNQCLSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000235893709 386201630 /nfs/dbraw/zinc/20/16/30/386201630.db2.gz XBARFFRNRPTQRV-AWEZNQCLSA-N 0 3 248.326 1.398 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000226564578 386333319 /nfs/dbraw/zinc/33/33/19/386333319.db2.gz VPHLXGCGEAACSA-NSHDSACASA-N 0 3 225.263 1.752 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])[C@H]1CCOC1 ZINC000226564578 386333323 /nfs/dbraw/zinc/33/33/23/386333323.db2.gz VPHLXGCGEAACSA-NSHDSACASA-N 0 3 225.263 1.752 20 10 BDCDHN C[C@@](O)(C[NH2+]Cc1ccccc1[O-])c1ccco1 ZINC000266141054 386403014 /nfs/dbraw/zinc/40/30/14/386403014.db2.gz HECCGBIFXHXCAW-CQSZACIVSA-N 0 3 247.294 1.983 20 10 BDCDHN COC[C@@H](C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000228808812 386620977 /nfs/dbraw/zinc/62/09/77/386620977.db2.gz ZYXUZJVKMBQSIH-GHMZBOCLSA-N 0 3 239.315 1.704 20 10 BDCDHN COC[C@@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000228793928 386618373 /nfs/dbraw/zinc/61/83/73/386618373.db2.gz SPWVTWJNSOXVAH-GHMZBOCLSA-N 0 3 239.315 1.440 20 10 BDCDHN COC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000279628660 386709569 /nfs/dbraw/zinc/70/95/69/386709569.db2.gz BOGGMAUCHGWPBU-LBPRGKRZSA-N 0 3 239.315 1.106 20 10 BDCDHN COC[C@H](CO)NCc1cc(C)c(C)cc1O ZINC000279628660 386709579 /nfs/dbraw/zinc/70/95/79/386709579.db2.gz BOGGMAUCHGWPBU-LBPRGKRZSA-N 0 3 239.315 1.106 20 10 BDCDHN Cc1cc(C)c([C@H](C)[NH2+]CCO)c([O-])c1 ZINC000293916136 388393036 /nfs/dbraw/zinc/39/30/36/388393036.db2.gz XDVKWMQMQOXIMD-JTQLQIEISA-N 0 3 209.289 1.652 20 10 BDCDHN CC[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297357664 388429968 /nfs/dbraw/zinc/42/99/68/388429968.db2.gz PQBATQJHLFZQES-WDEREUQCSA-N 0 3 221.300 1.740 20 10 BDCDHN CCOc1cccc(C[NH2+]CC(C)(C)O)c1[O-] ZINC000096480959 170578054 /nfs/dbraw/zinc/57/80/54/170578054.db2.gz SZABLGAPVIMSCG-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN CC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180425022 171185067 /nfs/dbraw/zinc/18/50/67/171185067.db2.gz STJAIKVZDFSFTA-GFCCVEGCSA-N 0 3 227.279 1.782 20 10 BDCDHN CN1CCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000082284152 173053735 /nfs/dbraw/zinc/05/37/35/173053735.db2.gz QQGPYNYEPOLHHY-ZDUSSCGKSA-N 0 3 247.342 1.022 20 10 BDCDHN CN(C)c1ccc(CN[C@@H]2CC(=O)N(C)C2)cc1 ZINC000263780929 173194737 /nfs/dbraw/zinc/19/47/37/173194737.db2.gz VNBYKWOCJSYWBI-GFCCVEGCSA-N 0 3 247.342 1.073 20 10 BDCDHN CNC(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272834235 173242400 /nfs/dbraw/zinc/24/24/00/173242400.db2.gz IPEZIIMXUHMJNN-JTQLQIEISA-N 0 3 236.315 1.569 20 10 BDCDHN CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000094617866 173303414 /nfs/dbraw/zinc/30/34/14/173303414.db2.gz KXPHJGDPIXJZDD-SFYZADRCSA-N 0 3 240.278 1.316 20 10 BDCDHN CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000133594337 173307184 /nfs/dbraw/zinc/30/71/84/173307184.db2.gz ZLBSFRZYZLEGIK-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN CNC(=O)[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000133594337 173307185 /nfs/dbraw/zinc/30/71/85/173307185.db2.gz ZLBSFRZYZLEGIK-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN COCCN(CCOC)Cc1ccc(N)cc1 ZINC000036197501 174295875 /nfs/dbraw/zinc/29/58/75/174295875.db2.gz MTSGXSWIKOKTHF-UHFFFAOYSA-N 0 3 238.331 1.364 20 10 BDCDHN COc1ccc(O)c(CN2CCC(O)CC2)c1 ZINC000179584959 175158140 /nfs/dbraw/zinc/15/81/40/175158140.db2.gz DBUGXRTUMCPSRP-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@]2(C)CCOC2)c1 ZINC000164777430 175158554 /nfs/dbraw/zinc/15/85/54/175158554.db2.gz NPFLHJUTEDWAKO-CYBMUJFWSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000020092617 175159553 /nfs/dbraw/zinc/15/95/53/175159553.db2.gz FUXWXLZIMYGGHR-LBPRGKRZSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000086629168 175160031 /nfs/dbraw/zinc/16/00/31/175160031.db2.gz KKTRZHYDABDAFJ-UWVGGRQHSA-N 0 3 239.315 1.680 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000086629176 175160478 /nfs/dbraw/zinc/16/04/78/175160478.db2.gz KKTRZHYDABDAFJ-NXEZZACHSA-N 0 3 239.315 1.680 20 10 BDCDHN COc1cccc(C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000092455895 175259013 /nfs/dbraw/zinc/25/90/13/175259013.db2.gz RWDUPKONCZCITP-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000092455895 175259014 /nfs/dbraw/zinc/25/90/14/175259014.db2.gz RWDUPKONCZCITP-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(CN2CCSCC2)c1O ZINC000126214471 175260476 /nfs/dbraw/zinc/26/04/76/175260476.db2.gz PPGWPRFAKHBCMG-UHFFFAOYSA-N 0 3 239.340 1.950 20 10 BDCDHN COc1cccc(C[N@H+]2CC[C@H](OC)C2)c1[O-] ZINC000234901862 175260668 /nfs/dbraw/zinc/26/06/68/175260668.db2.gz NOLGFFDUJIMXRJ-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc(C[N@@H+]2CC[C@H](OC)C2)c1[O-] ZINC000234901862 175260669 /nfs/dbraw/zinc/26/06/69/175260669.db2.gz NOLGFFDUJIMXRJ-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc(CN2CC[C@H](OC)C2)c1O ZINC000234901862 175260670 /nfs/dbraw/zinc/26/06/70/175260670.db2.gz NOLGFFDUJIMXRJ-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CCO)c1cc(F)ccc1[O-] ZINC000132546972 175683235 /nfs/dbraw/zinc/68/32/35/175683235.db2.gz AKKOQATZGVEWMQ-DTWKUNHWSA-N 0 3 227.279 1.953 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000112011580 176174349 /nfs/dbraw/zinc/17/43/49/176174349.db2.gz WFGYCGFUFQWLMT-SECBINFHSA-N 0 3 235.283 1.963 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OCO3)C1 ZINC000112011580 176174350 /nfs/dbraw/zinc/17/43/50/176174350.db2.gz WFGYCGFUFQWLMT-SECBINFHSA-N 0 3 235.283 1.963 20 10 BDCDHN C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180861516 177009968 /nfs/dbraw/zinc/00/99/68/177009968.db2.gz DWKXXHQEYMKAFM-VHSXEESVSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H](O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180861516 177009970 /nfs/dbraw/zinc/00/99/70/177009970.db2.gz DWKXXHQEYMKAFM-VHSXEESVSA-N 0 3 239.290 1.734 20 10 BDCDHN CNC[C@@H](C)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000853248925 588729206 /nfs/dbraw/zinc/72/92/06/588729206.db2.gz LWPLZPMVZQXKGJ-SSDOTTSWSA-N 0 3 246.713 1.882 20 10 BDCDHN C[NH2+]C[C@H](C)N[C@H](C)c1ccc(F)cc1[O-] ZINC000854231101 588781191 /nfs/dbraw/zinc/78/11/91/588781191.db2.gz DTCFXQOFXRBPGM-DTWKUNHWSA-N 0 3 226.295 1.790 20 10 BDCDHN CNC[C@H](C)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000854231101 588781192 /nfs/dbraw/zinc/78/11/92/588781192.db2.gz DTCFXQOFXRBPGM-DTWKUNHWSA-N 0 3 226.295 1.790 20 10 BDCDHN CC[C@@H](CO)[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000877556243 583328691 /nfs/dbraw/zinc/32/86/91/583328691.db2.gz NGAJAOCJGOMDPC-LBPRGKRZSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[C@@H](CO)[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000877556243 583328693 /nfs/dbraw/zinc/32/86/93/583328693.db2.gz NGAJAOCJGOMDPC-LBPRGKRZSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2COCO2)c([O-])c1 ZINC000894888912 583547397 /nfs/dbraw/zinc/54/73/97/583547397.db2.gz MEKVLHSAPVZBLY-LLVKDONJSA-N 0 3 223.272 1.163 20 10 BDCDHN CC1=NO[C@@H](CNCc2ccc3c(c2)CCO3)C1 ZINC000895310004 583646415 /nfs/dbraw/zinc/64/64/15/583646415.db2.gz FDXZSEWRDJIILM-CYBMUJFWSA-N 0 3 246.310 1.876 20 10 BDCDHN COCC1CN(Cc2cccc(OC)c2O)C1 ZINC000895970626 583756314 /nfs/dbraw/zinc/75/63/14/583756314.db2.gz GEBRVAVEAMSBAD-UHFFFAOYSA-N 0 3 237.299 1.479 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897851092 584054428 /nfs/dbraw/zinc/05/44/28/584054428.db2.gz OVRYEXGNFWXIRE-JRZRUSQNSA-N 0 3 249.310 1.404 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c([O-])c1 ZINC000858494652 588960590 /nfs/dbraw/zinc/96/05/90/588960590.db2.gz MBNFLZPEEPBSGG-GMTAPVOTSA-N 0 3 248.326 1.615 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCON)c1 ZINC000902425338 584593965 /nfs/dbraw/zinc/59/39/65/584593965.db2.gz MGXVNHUYUWRIJP-SNVBAGLBSA-N 0 3 224.304 1.632 20 10 BDCDHN CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCc2cccc([O-])c21 ZINC000902446223 584594445 /nfs/dbraw/zinc/59/44/45/584594445.db2.gz SSAZZMAUXADVQM-AAEUAGOBSA-N 0 3 246.354 1.967 20 10 BDCDHN C[C@H](N)[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000841076145 584741135 /nfs/dbraw/zinc/74/11/35/584741135.db2.gz ASDWYSWNJYHMOZ-YUMQZZPRSA-N 0 3 212.268 1.357 20 10 BDCDHN C[C@H]([NH3+])[C@H](C)NCc1cccc(F)c1[O-] ZINC000841076145 584741137 /nfs/dbraw/zinc/74/11/37/584741137.db2.gz ASDWYSWNJYHMOZ-YUMQZZPRSA-N 0 3 212.268 1.357 20 10 BDCDHN Cc1ccc(C[NH2+]CCN2CCCC2)c([O-])c1 ZINC000877141569 584890971 /nfs/dbraw/zinc/89/09/71/584890971.db2.gz ABXAGEVGFNJNGR-UHFFFAOYSA-N 0 3 234.343 1.886 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCN1CCC1 ZINC000752106988 585242492 /nfs/dbraw/zinc/24/24/92/585242492.db2.gz NCTYDBDCNJUGDF-UHFFFAOYSA-N 0 3 236.315 1.196 20 10 BDCDHN C[C@H]1[C@H](C)[N@H+](Cc2ccccc2[O-])CCN1C ZINC000775985864 585688358 /nfs/dbraw/zinc/68/83/58/585688358.db2.gz PGZKXTOGCMQLMF-RYUDHWBXSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@H]1[C@H](C)[N@@H+](Cc2ccccc2[O-])CCN1C ZINC000775985864 585688359 /nfs/dbraw/zinc/68/83/59/585688359.db2.gz PGZKXTOGCMQLMF-RYUDHWBXSA-N 0 3 234.343 1.917 20 10 BDCDHN [O-]c1c(F)cccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000779030524 585744370 /nfs/dbraw/zinc/74/43/70/585744370.db2.gz OFCSVWWUOJEJRO-PHIMTYICSA-N 0 3 236.290 1.183 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783745336 585841684 /nfs/dbraw/zinc/84/16/84/585841684.db2.gz VTEDGKPWYDRFPN-YPMHNXCESA-N 0 3 219.284 1.206 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783745336 585841685 /nfs/dbraw/zinc/84/16/85/585841685.db2.gz VTEDGKPWYDRFPN-YPMHNXCESA-N 0 3 219.284 1.206 20 10 BDCDHN Cc1cc(N(C)Cc2ccccc2O)nc(N)n1 ZINC000786792619 585897281 /nfs/dbraw/zinc/89/72/81/585897281.db2.gz GNUGKMSHPPBRAI-UHFFFAOYSA-N 0 3 244.298 1.709 20 10 BDCDHN C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1[O-] ZINC000788268581 585920236 /nfs/dbraw/zinc/92/02/36/585920236.db2.gz GKHCDJNANZDBNI-GXSJLCMTSA-N 0 3 207.273 1.347 20 10 BDCDHN C[C@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1[O-] ZINC000788268581 585920237 /nfs/dbraw/zinc/92/02/37/585920237.db2.gz GKHCDJNANZDBNI-GXSJLCMTSA-N 0 3 207.273 1.347 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788270954 585920757 /nfs/dbraw/zinc/92/07/57/585920757.db2.gz XPABBELVVIWMFU-KOLCDFICSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788270954 585920758 /nfs/dbraw/zinc/92/07/58/585920758.db2.gz XPABBELVVIWMFU-KOLCDFICSA-N 0 3 237.299 1.356 20 10 BDCDHN C[C@@H]([NH2+]CCN)c1cc(Cl)ccc1[O-] ZINC000817935008 586843275 /nfs/dbraw/zinc/84/32/75/586843275.db2.gz SMBMBPMGMSXRFO-SSDOTTSWSA-N 0 3 214.696 1.655 20 10 BDCDHN C[C@@H](NCC[NH3+])c1cc(Cl)ccc1[O-] ZINC000817935008 586843277 /nfs/dbraw/zinc/84/32/77/586843277.db2.gz SMBMBPMGMSXRFO-SSDOTTSWSA-N 0 3 214.696 1.655 20 10 BDCDHN C[C@@H](CN)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817970050 586853079 /nfs/dbraw/zinc/85/30/79/586853079.db2.gz KHDXHVNKKFDADO-YUMQZZPRSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H](CN)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817962953 586853095 /nfs/dbraw/zinc/85/30/95/586853095.db2.gz PSQFSFXASMLSHY-IUCAKERBSA-N 0 3 226.295 1.777 20 10 BDCDHN Cc1ccc([C@@H](C)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c([O-])c1 ZINC000817977582 586861531 /nfs/dbraw/zinc/86/15/31/586861531.db2.gz KXCIJTQRZCSISJ-WUWHUORYSA-N 0 3 232.327 1.569 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1C ZINC000827292939 587375871 /nfs/dbraw/zinc/37/58/71/587375871.db2.gz UMMOYNFDPSLXEM-DZGCQCFKSA-N 0 3 247.338 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)cc1C ZINC000827292939 587375872 /nfs/dbraw/zinc/37/58/72/587375872.db2.gz UMMOYNFDPSLXEM-DZGCQCFKSA-N 0 3 247.338 1.966 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC(=O)N(C)CC2)c1[O-] ZINC000827360047 587378267 /nfs/dbraw/zinc/37/82/67/587378267.db2.gz ZWTKJXWUDBSTLK-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC(=O)N(C)CC2)c1[O-] ZINC000827360047 587378268 /nfs/dbraw/zinc/37/82/68/587378268.db2.gz ZWTKJXWUDBSTLK-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1cc(N(C)C)ccc1CNCCC(N)=O ZINC000840938313 587930712 /nfs/dbraw/zinc/93/07/12/587930712.db2.gz BJDXLZBCCBEDGG-UHFFFAOYSA-N 0 3 235.331 1.026 20 10 BDCDHN Cc1ccc(O)c(CNC2(C(=O)N(C)C)CC2)c1 ZINC000840957311 587931834 /nfs/dbraw/zinc/93/18/34/587931834.db2.gz KTYZOHSFNFZYHV-UHFFFAOYSA-N 0 3 248.326 1.411 20 10 BDCDHN C[NH2+]CCCNCc1c([O-])ccc(Cl)c1F ZINC000841041413 587938645 /nfs/dbraw/zinc/93/86/45/587938645.db2.gz FMQLNHXKMRMODD-UHFFFAOYSA-N 0 3 246.713 1.884 20 10 BDCDHN N[C@H](C[NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000841048557 587939124 /nfs/dbraw/zinc/93/91/24/587939124.db2.gz FDFREPAAMTYVFJ-LLVKDONJSA-N 0 3 224.279 1.358 20 10 BDCDHN [NH3+][C@H](CNCc1cccc(F)c1[O-])C1CC1 ZINC000841048557 587939126 /nfs/dbraw/zinc/93/91/26/587939126.db2.gz FDFREPAAMTYVFJ-LLVKDONJSA-N 0 3 224.279 1.358 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841077574 587944596 /nfs/dbraw/zinc/94/45/96/587944596.db2.gz BUPQASIIFIKBSG-QWRGUYRKSA-N 0 3 224.279 1.182 20 10 BDCDHN Cc1cccc(C[N@@H+](C)[C@H](C)CCO)c1[O-] ZINC000846112716 588257314 /nfs/dbraw/zinc/25/73/14/588257314.db2.gz WXJIXOCLGKJAJL-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[N@H+](C)[C@H](C)CCO)c1[O-] ZINC000846112716 588257315 /nfs/dbraw/zinc/25/73/15/588257315.db2.gz WXJIXOCLGKJAJL-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]CC[C@H](C)O)c1[O-] ZINC000846147948 588258728 /nfs/dbraw/zinc/25/87/28/588258728.db2.gz WFSPZEKLITUWHP-UWVGGRQHSA-N 0 3 239.315 1.822 20 10 BDCDHN CCc1cccc(C[N@H+](C)CCO)c1[O-] ZINC000848876766 588416065 /nfs/dbraw/zinc/41/60/65/588416065.db2.gz MFJHNEYNNBIYKP-UHFFFAOYSA-N 0 3 209.289 1.379 20 10 BDCDHN CCc1cccc(C[N@@H+](C)CCO)c1[O-] ZINC000848876766 588416066 /nfs/dbraw/zinc/41/60/66/588416066.db2.gz MFJHNEYNNBIYKP-UHFFFAOYSA-N 0 3 209.289 1.379 20 10 BDCDHN CCc1cccc(C[N@H+](C)CCCO)c1[O-] ZINC000848909627 588419454 /nfs/dbraw/zinc/41/94/54/588419454.db2.gz YGEPYFPFKVCSNN-UHFFFAOYSA-N 0 3 223.316 1.769 20 10 BDCDHN CCc1cccc(C[N@@H+](C)CCCO)c1[O-] ZINC000848909627 588419456 /nfs/dbraw/zinc/41/94/56/588419456.db2.gz YGEPYFPFKVCSNN-UHFFFAOYSA-N 0 3 223.316 1.769 20 10 BDCDHN CCc1cccc(C[NH2+][C@@H]2CC[C@H]2O)c1[O-] ZINC000848917977 588421103 /nfs/dbraw/zinc/42/11/03/588421103.db2.gz LYJGJLREVIHBEF-VXGBXAGGSA-N 0 3 221.300 1.568 20 10 BDCDHN CN(Cc1cccc(F)c1[O-])CC(C)(C)[NH3+] ZINC000849350232 588474962 /nfs/dbraw/zinc/47/49/62/588474962.db2.gz MKRGAPKHQRATNB-UHFFFAOYSA-N 0 3 226.295 1.700 20 10 BDCDHN C[N@H+](Cc1cccc(F)c1[O-])CC(C)(C)N ZINC000849350232 588474963 /nfs/dbraw/zinc/47/49/63/588474963.db2.gz MKRGAPKHQRATNB-UHFFFAOYSA-N 0 3 226.295 1.700 20 10 BDCDHN C[N@@H+](Cc1cccc(F)c1[O-])CC(C)(C)N ZINC000849350232 588474964 /nfs/dbraw/zinc/47/49/64/588474964.db2.gz MKRGAPKHQRATNB-UHFFFAOYSA-N 0 3 226.295 1.700 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579087 588561835 /nfs/dbraw/zinc/56/18/35/588561835.db2.gz SMCBTWJNNKXQTI-DCAQKATOSA-N 0 3 221.300 1.875 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865691542 589456361 /nfs/dbraw/zinc/45/63/61/589456361.db2.gz BPDYSAVFDPYIFS-JVSQWTDWSA-N 0 3 245.322 1.905 20 10 BDCDHN [O-]c1ccccc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229691 590002427 /nfs/dbraw/zinc/00/24/27/590002427.db2.gz DVJZGEWFALIQDO-KGLIPLIRSA-N 0 3 232.327 1.766 20 10 BDCDHN Cc1ccc(C[NH+]2CCC(O)CC2)c([O-])c1 ZINC000876541039 590212355 /nfs/dbraw/zinc/21/23/55/590212355.db2.gz RPBJVXFZXKMCJX-UHFFFAOYSA-N 0 3 221.300 1.657 20 10 BDCDHN CNC(=O)[C@@H]1CCCN1Cc1ccc(C)cc1O ZINC000876619904 590223127 /nfs/dbraw/zinc/22/31/27/590223127.db2.gz FNLHZRPXDJMPEF-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[N@H+](CCO)CC2CC2)c([O-])c1 ZINC000876640124 590225290 /nfs/dbraw/zinc/22/52/90/590225290.db2.gz ZFMIMKZMORJTBG-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@@H+](CCO)CC2CC2)c([O-])c1 ZINC000876640124 590225291 /nfs/dbraw/zinc/22/52/91/590225291.db2.gz ZFMIMKZMORJTBG-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC000876689980 590231036 /nfs/dbraw/zinc/23/10/36/590231036.db2.gz CZRLMTGEYSEJNF-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc(C[N@H+](C)[C@H]2CCOC2)c([O-])c1 ZINC000876689980 590231037 /nfs/dbraw/zinc/23/10/37/590231037.db2.gz CZRLMTGEYSEJNF-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCn1cccn1 ZINC000876959893 590261563 /nfs/dbraw/zinc/26/15/63/590261563.db2.gz QKWGVINQIVPECC-UHFFFAOYSA-N 0 3 231.299 1.687 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCCOC2)c([O-])c1 ZINC000877007893 590268789 /nfs/dbraw/zinc/26/87/89/590268789.db2.gz HSEKWUOPSDDBIK-GFCCVEGCSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1ccc(C[NH2+]CC(C)(C)O)c([O-])c1 ZINC000877041792 590273393 /nfs/dbraw/zinc/27/33/93/590273393.db2.gz OHPXMGCAKSMTFF-UHFFFAOYSA-N 0 3 209.289 1.561 20 10 BDCDHN CN(C(=O)C1(N)CCC1)c1ccc(N)cc1 ZINC000877077570 590279225 /nfs/dbraw/zinc/27/92/25/590279225.db2.gz NGHQXNZUMISGRX-UHFFFAOYSA-N 0 3 219.288 1.113 20 10 BDCDHN CC[C@@H](C)[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077997 590279311 /nfs/dbraw/zinc/27/93/11/590279311.db2.gz YMBCGDRHKCAELM-SKDRFNHKSA-N 0 3 235.331 1.605 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCOC1 ZINC000877112700 590287204 /nfs/dbraw/zinc/28/72/04/590287204.db2.gz TXIZFJGHWFZKQK-SNVBAGLBSA-N 0 3 207.273 1.579 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCOC2)c([O-])c1 ZINC000877113015 590287467 /nfs/dbraw/zinc/28/74/67/590287467.db2.gz XXDWDGNXMUHVKK-LLVKDONJSA-N 0 3 207.273 1.579 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCCn1ccnn1 ZINC000126411481 590301598 /nfs/dbraw/zinc/30/15/98/590301598.db2.gz DIJPDTJLVFBRDR-UHFFFAOYSA-N 0 3 232.287 1.164 20 10 BDCDHN Cc1ccc(C[NH2+]CCc2ccnn2C)c([O-])c1 ZINC000877363759 590318981 /nfs/dbraw/zinc/31/89/81/590318981.db2.gz SFXPLSISTPDUSR-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c([O-])c1 ZINC000877468610 590333682 /nfs/dbraw/zinc/33/36/82/590333682.db2.gz KXUIHLHFVQWGLU-YPMHNXCESA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c([O-])c1 ZINC000877468608 590333874 /nfs/dbraw/zinc/33/38/74/590333874.db2.gz KXUIHLHFVQWGLU-DGCLKSJQSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000877486865 590338919 /nfs/dbraw/zinc/33/89/19/590338919.db2.gz SJFSGBFRSLZZJH-ZDUSSCGKSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c([O-])c1 ZINC000877486865 590338922 /nfs/dbraw/zinc/33/89/22/590338922.db2.gz SJFSGBFRSLZZJH-ZDUSSCGKSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(O)c1CN1CC[C@](F)(CO)C1 ZINC000877505019 590343313 /nfs/dbraw/zinc/34/33/13/590343313.db2.gz WONZMQHLNZWZFK-CYBMUJFWSA-N 0 3 239.290 1.607 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@H](O)C1CC1 ZINC000877526503 590348310 /nfs/dbraw/zinc/34/83/10/590348310.db2.gz SAZGLVUEWSUZTL-CYBMUJFWSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1ccc(CN2CCNC(=O)C[C@H]2C)c(O)c1 ZINC000877532957 590350394 /nfs/dbraw/zinc/35/03/94/590350394.db2.gz XRMMGXKMOHVEOX-LLVKDONJSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[NH2+]CCc2cn[nH]c2)c([O-])c1 ZINC000877538602 590351175 /nfs/dbraw/zinc/35/11/75/590351175.db2.gz FLOBFSUNGPBNDA-UHFFFAOYSA-N 0 3 231.299 1.756 20 10 BDCDHN COC[C@@H]1CC[N@@H+]1Cc1c(C)cccc1[O-] ZINC000877551204 590355536 /nfs/dbraw/zinc/35/55/36/590355536.db2.gz XQJCXNHHCOHFQO-NSHDSACASA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@@H]1CC[N@H+]1Cc1c(C)cccc1[O-] ZINC000877551204 590355539 /nfs/dbraw/zinc/35/55/39/590355539.db2.gz XQJCXNHHCOHFQO-NSHDSACASA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000877574092 590363026 /nfs/dbraw/zinc/36/30/26/590363026.db2.gz AOEFLXAKRLDVDT-AOOOYVTPSA-N 0 3 207.273 1.314 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000877574794 590363386 /nfs/dbraw/zinc/36/33/86/590363386.db2.gz VUOBQGSNYFZIQZ-CMPLNLGQSA-N 0 3 248.326 1.444 20 10 BDCDHN CC[C@@H]([NH2+]Cc1ccc(C)cc1[O-])C(=O)NC ZINC000877575809 590363519 /nfs/dbraw/zinc/36/35/19/590363519.db2.gz FFHVEPUOXSMVCN-LLVKDONJSA-N 0 3 236.315 1.315 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c([O-])c1 ZINC000877578106 590363982 /nfs/dbraw/zinc/36/39/82/590363982.db2.gz UZEUDJGCTVFPCX-AWEZNQCLSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000877578059 590364017 /nfs/dbraw/zinc/36/40/17/590364017.db2.gz SFVXDHVIUVICQL-CQSZACIVSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1cccc([O-])c1C[NH+]1CC(C(C)(C)O)C1 ZINC000877580490 590364985 /nfs/dbraw/zinc/36/49/85/590364985.db2.gz DQFKUXSQAFAZTB-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877594945 590370159 /nfs/dbraw/zinc/37/01/59/590370159.db2.gz NHORIXABKCUYAG-CYBMUJFWSA-N 0 3 248.326 1.411 20 10 BDCDHN CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000877594945 590370161 /nfs/dbraw/zinc/37/01/61/590370161.db2.gz NHORIXABKCUYAG-CYBMUJFWSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)C2(CO)CC2)c([O-])c1 ZINC000877624192 590376833 /nfs/dbraw/zinc/37/68/33/590376833.db2.gz AGASRLYNDGJSJM-LLVKDONJSA-N 0 3 235.327 1.951 20 10 BDCDHN COC(=O)C1CC([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877722475 590402017 /nfs/dbraw/zinc/40/20/17/590402017.db2.gz VPOOJKYHODNENB-UHFFFAOYSA-N 0 3 249.310 1.742 20 10 BDCDHN [O-]c1cccc(Cl)c1CN1CCC[NH2+]CC1 ZINC000128315255 590977580 /nfs/dbraw/zinc/97/75/80/590977580.db2.gz MGAQBSRRQLTCDI-UHFFFAOYSA-N 0 3 240.734 1.841 20 10 BDCDHN CCCC[N@H+](CCO)Cc1ccccc1[O-] ZINC000128549734 591118959 /nfs/dbraw/zinc/11/89/59/591118959.db2.gz KPXKDVGIJSZFCX-UHFFFAOYSA-N 0 3 223.316 1.987 20 10 BDCDHN CCCC[N@@H+](CCO)Cc1ccccc1[O-] ZINC000128549734 591118963 /nfs/dbraw/zinc/11/89/63/591118963.db2.gz KPXKDVGIJSZFCX-UHFFFAOYSA-N 0 3 223.316 1.987 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1[O-] ZINC000132479765 591713051 /nfs/dbraw/zinc/71/30/51/591713051.db2.gz HGUGINYYIJHURZ-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](O)C2)c1[O-] ZINC000132479765 591713056 /nfs/dbraw/zinc/71/30/56/591713056.db2.gz HGUGINYYIJHURZ-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN C[C@H](CC[NH2+]Cc1ccccc1[O-])[S@](C)=O ZINC000132555954 591718284 /nfs/dbraw/zinc/71/82/84/591718284.db2.gz YOROUQMTHCOGTQ-QLJPJBMISA-N 0 3 241.356 1.639 20 10 BDCDHN CCN(CC)C(=O)C[NH2+]Cc1ccccc1[O-] ZINC000134227874 591903279 /nfs/dbraw/zinc/90/32/79/591903279.db2.gz RKISJPZNKHMBDM-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN COc1cccc(C[NH2+]CC2(O)CCC2)c1[O-] ZINC000134518048 591932422 /nfs/dbraw/zinc/93/24/22/591932422.db2.gz YLONMAPDKSJUJF-UHFFFAOYSA-N 0 3 237.299 1.405 20 10 BDCDHN C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccccc1[O-] ZINC000135719937 592033108 /nfs/dbraw/zinc/03/31/08/592033108.db2.gz WCPIKXDCRZCTAF-NSHDSACASA-N 0 3 248.326 1.665 20 10 BDCDHN CCNC(=O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000135719798 592033209 /nfs/dbraw/zinc/03/32/09/592033209.db2.gz YDHYUKLZLLBUBD-SNVBAGLBSA-N 0 3 236.315 1.569 20 10 BDCDHN CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000300334417 592506992 /nfs/dbraw/zinc/50/69/92/592506992.db2.gz NTCSXYVSZNTXQR-LLVKDONJSA-N 0 3 225.263 1.752 20 10 BDCDHN CO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000300334417 592506995 /nfs/dbraw/zinc/50/69/95/592506995.db2.gz NTCSXYVSZNTXQR-LLVKDONJSA-N 0 3 225.263 1.752 20 10 BDCDHN C[C@@H](O)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297542397 631235703 /nfs/dbraw/zinc/23/57/03/631235703.db2.gz FCNZENBVOXVPQQ-MWLCHTKSSA-N 0 3 221.300 1.740 20 10 BDCDHN CN(C)CC(C)(C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000308610824 631447531 /nfs/dbraw/zinc/44/75/31/631447531.db2.gz ZJCFFTWOEMLKIG-UHFFFAOYSA-N 0 3 240.322 1.961 20 10 BDCDHN C[C@@H]([NH3+])CN(C)Cc1c([O-])cccc1Cl ZINC000309052957 631827087 /nfs/dbraw/zinc/82/70/87/631827087.db2.gz QWNWNEWMQKKWDT-MRVPVSSYSA-N 0 3 228.723 1.825 20 10 BDCDHN C[C@@H](C[NH3+])N(C)Cc1cccc(F)c1[O-] ZINC000309500764 632417194 /nfs/dbraw/zinc/41/71/94/632417194.db2.gz UXAZAHKWMFDJRP-QMMMGPOBSA-N 0 3 212.268 1.310 20 10 BDCDHN C[C@@H](CN)[N@H+](C)Cc1cccc(F)c1[O-] ZINC000309500764 632417198 /nfs/dbraw/zinc/41/71/98/632417198.db2.gz UXAZAHKWMFDJRP-QMMMGPOBSA-N 0 3 212.268 1.310 20 10 BDCDHN C[C@@H](CN)[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000309500764 632417202 /nfs/dbraw/zinc/41/72/02/632417202.db2.gz UXAZAHKWMFDJRP-QMMMGPOBSA-N 0 3 212.268 1.310 20 10 BDCDHN CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000167192770 633125048 /nfs/dbraw/zinc/12/50/48/633125048.db2.gz UKOBEGBESHJVHO-VIFPVBQESA-N 0 3 222.288 1.006 20 10 BDCDHN CCN(CC)c1ccc(CN[C@H](C)C(N)=O)cc1 ZINC000035148724 636879546 /nfs/dbraw/zinc/87/95/46/636879546.db2.gz HBKQHACMHLEIFO-LLVKDONJSA-N 0 3 249.358 1.496 20 10 BDCDHN CCOC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000044688536 640450834 /nfs/dbraw/zinc/45/08/34/640450834.db2.gz PSUPPIUUFISMCG-JTQLQIEISA-N 0 3 209.289 1.907 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c([O-])c1 ZINC000168830142 640829445 /nfs/dbraw/zinc/82/94/45/640829445.db2.gz UWARYVFRIYZWSG-NXEZZACHSA-N 0 3 236.315 1.615 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCOC1 ZINC000180242078 642781071 /nfs/dbraw/zinc/78/10/71/642781071.db2.gz FPOAFWPJMYACFK-JTQLQIEISA-N 0 3 239.290 2.000 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H]1CCOC1 ZINC000180242078 642781079 /nfs/dbraw/zinc/78/10/79/642781079.db2.gz FPOAFWPJMYACFK-JTQLQIEISA-N 0 3 239.290 2.000 20 10 BDCDHN CN(Cc1cc(Cl)ccc1[O-])[C@H]1CC[NH2+]C1 ZINC000070892273 643079090 /nfs/dbraw/zinc/07/90/90/643079090.db2.gz AGUXRCLMENXSKH-NSHDSACASA-N 0 3 240.734 1.839 20 10 BDCDHN CCCNC(=O)CC[NH2+]Cc1ccccc1[O-] ZINC000045071723 643551411 /nfs/dbraw/zinc/55/14/11/643551411.db2.gz XKWYQBGOKYDXLS-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN O=C1C[C@@H](CC[NH2+]Cc2ccccc2[O-])CN1 ZINC000922781241 644095823 /nfs/dbraw/zinc/09/58/23/644095823.db2.gz JCTMCCNZXRGHDL-SNVBAGLBSA-N 0 3 234.299 1.008 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000087784333 644503579 /nfs/dbraw/zinc/50/35/79/644503579.db2.gz ZROBVWDEYMQABN-WPRPVWTQSA-N 0 3 225.263 1.971 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000087784330 644503884 /nfs/dbraw/zinc/50/38/84/644503884.db2.gz ZROBVWDEYMQABN-PSASIEDQSA-N 0 3 225.263 1.971 20 10 BDCDHN COc1cccc(CNCc2c[nH]cn2)c1O ZINC000088750883 644528984 /nfs/dbraw/zinc/52/89/84/644528984.db2.gz DSUVBHWCKYQJRO-UHFFFAOYSA-N 0 3 233.271 1.414 20 10 BDCDHN COc1ccc(C[NH2+][C@@H](C)CCO)c([O-])c1 ZINC000096811508 644839879 /nfs/dbraw/zinc/83/98/79/644839879.db2.gz SIADBJTUWVECCJ-VIFPVBQESA-N 0 3 225.288 1.261 20 10 BDCDHN CN1CC(C[N@@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000827125988 645073355 /nfs/dbraw/zinc/07/33/55/645073355.db2.gz VCSKWHAAQPFXIS-UHFFFAOYSA-N 0 3 238.306 1.525 20 10 BDCDHN CN1CC(C[N@H+](C)Cc2cc(F)ccc2[O-])C1 ZINC000827125988 645073354 /nfs/dbraw/zinc/07/33/54/645073354.db2.gz VCSKWHAAQPFXIS-UHFFFAOYSA-N 0 3 238.306 1.525 20 10 BDCDHN C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000926984189 645506769 /nfs/dbraw/zinc/50/67/69/645506769.db2.gz DULLJUICYDUKEE-MNOVXSKESA-N 0 3 248.326 1.569 20 10 BDCDHN CC[C@@H](N[C@@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925864456 646517257 /nfs/dbraw/zinc/51/72/57/646517257.db2.gz RFBKZLREBVCEEA-TZMCWYRMSA-N 0 3 249.358 1.697 20 10 BDCDHN c1cc(CNC2CSC2)cc2c1OCC2 ZINC000701973828 712033818 /nfs/dbraw/zinc/03/38/18/712033818.db2.gz ROZZTFAYMOEAFW-UHFFFAOYSA-N 0 3 221.325 1.827 20 10 BDCDHN COCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000379915200 712625067 /nfs/dbraw/zinc/62/50/67/712625067.db2.gz BKZDMIBKDLLAMJ-JTQLQIEISA-N 0 3 207.273 1.616 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1c([O-])cccc1OC ZINC000381538869 710652431 /nfs/dbraw/zinc/65/24/31/710652431.db2.gz GVOIFEWLNZRQOX-VIFPVBQESA-N 0 3 225.288 1.261 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000398363913 711410082 /nfs/dbraw/zinc/41/00/82/711410082.db2.gz YXXMYUUUDVFAQI-VHSXEESVSA-N 0 3 234.299 1.179 20 10 BDCDHN C[C@@H]1C[C@@H]([NH2+]CCO)c2c1c(F)ccc2[O-] ZINC000381259265 710612488 /nfs/dbraw/zinc/61/24/88/710612488.db2.gz RNMDJPJGVGWXFE-VXNVDRBHSA-N 0 3 225.263 1.662 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c([O-])c1 ZINC000378756480 712360731 /nfs/dbraw/zinc/36/07/31/712360731.db2.gz YIHBNVSUWHXEJN-YUSALJHKSA-N 0 3 221.300 1.875 20 10 BDCDHN CC[C@H](N[C@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000379212073 712371706 /nfs/dbraw/zinc/37/17/06/712371706.db2.gz FJHDJWYREYHCFS-MFKMUULPSA-N 0 3 249.358 1.667 20 10 BDCDHN C[C@@H](C[NH3+])N(C)Cc1c([O-])cccc1Cl ZINC000383024997 712387200 /nfs/dbraw/zinc/38/72/00/712387200.db2.gz XWUDLWNPJJUFAI-QMMMGPOBSA-N 0 3 228.723 1.825 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCc1cn[nH]c1)CC2 ZINC000379591834 712389717 /nfs/dbraw/zinc/38/97/17/712389717.db2.gz YLSKMXMGZKVNLR-GFCCVEGCSA-N 0 3 243.310 1.935 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1CCN1C)c1cc(F)ccc1[O-] ZINC000712596579 712436318 /nfs/dbraw/zinc/43/63/18/712436318.db2.gz VCFOZTXVDYJMFZ-GXSJLCMTSA-N 0 3 238.306 1.886 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)CC(F)(F)F ZINC000717788450 712677680 /nfs/dbraw/zinc/67/76/80/712677680.db2.gz BMUBNVWPYOOSOS-VIFPVBQESA-N 0 3 249.232 1.795 20 10 BDCDHN C[C@H](N)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801156 712759062 /nfs/dbraw/zinc/75/90/62/712759062.db2.gz QJTLUEHRABXUQI-JTQLQIEISA-N 0 3 235.331 1.058 20 10 BDCDHN CO[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275272 966954157 /nfs/dbraw/zinc/95/41/57/966954157.db2.gz NOLNMMFBRQUWCT-LLVKDONJSA-N 0 3 223.272 1.319 20 10 BDCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204275272 966954166 /nfs/dbraw/zinc/95/41/66/966954166.db2.gz NOLNMMFBRQUWCT-LLVKDONJSA-N 0 3 223.272 1.319 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)c([O-])c1 ZINC000877608209 983955435 /nfs/dbraw/zinc/95/54/35/983955435.db2.gz RMPDYCVKXDRFNL-CMPLNLGQSA-N 0 3 221.300 1.968 20 10 BDCDHN C[C@@]1([NH3+])CCN(Cc2cc(F)ccc2[O-])C1 ZINC000405752077 971303424 /nfs/dbraw/zinc/30/34/24/971303424.db2.gz SDWPHJMDULRTSV-GFCCVEGCSA-N 0 3 224.279 1.454 20 10 BDCDHN C[C@@]1([NH3+])CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000405832054 971312034 /nfs/dbraw/zinc/31/20/34/971312034.db2.gz NVXBKDBWZOJKHD-GFCCVEGCSA-N 0 3 240.734 1.969 20 10 BDCDHN C[C@]1(CO)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057789 957503126 /nfs/dbraw/zinc/50/31/26/957503126.db2.gz MIYAYOLPHDHLNT-ZDUSSCGKSA-N 0 3 239.290 1.736 20 10 BDCDHN C[C@]1(CO)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140057789 957503137 /nfs/dbraw/zinc/50/31/37/957503137.db2.gz MIYAYOLPHDHLNT-ZDUSSCGKSA-N 0 3 239.290 1.736 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001140947959 960731809 /nfs/dbraw/zinc/73/18/09/960731809.db2.gz MZOCUJZQKHGEPW-CQSZACIVSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@](C)(CO)C2)c([O-])c1 ZINC001140947959 960731818 /nfs/dbraw/zinc/73/18/18/960731818.db2.gz MZOCUJZQKHGEPW-CQSZACIVSA-N 0 3 235.327 1.905 20 10 BDCDHN Oc1ccc(O)c(CN2CCC(O)CC2)c1 ZINC001141155705 960890082 /nfs/dbraw/zinc/89/00/82/960890082.db2.gz GCSULJJHFAHPRZ-UHFFFAOYSA-N 0 3 223.272 1.055 20 10 BDCDHN Oc1ccc(O)c(CN2CC(N3CCCC3)C2)c1 ZINC001141159665 960897628 /nfs/dbraw/zinc/89/76/28/960897628.db2.gz JBNPGWMMTKNBJH-UHFFFAOYSA-N 0 3 248.326 1.378 20 10 BDCDHN C[C@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000699745842 966061192 /nfs/dbraw/zinc/06/11/92/966061192.db2.gz UQIKLMXBKNDMST-GZMMTYOYSA-N 0 3 225.263 1.656 20 10 BDCDHN CN1CCC2(C[NH+](Cc3ccccc3[O-])C2)C1=O ZINC001203562054 966689541 /nfs/dbraw/zinc/68/95/41/966689541.db2.gz CIDZKEDGNXMPFW-UHFFFAOYSA-N 0 3 246.310 1.056 20 10 BDCDHN COc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001203628799 966715744 /nfs/dbraw/zinc/71/57/44/966715744.db2.gz ILGYIRLPVIFNMS-SMDDNHRTSA-N 0 3 249.310 1.622 20 10 BDCDHN COc1ccc(C[N@H+]2C[C@@H]3CCO[C@@H]3C2)c([O-])c1 ZINC001203628799 966715758 /nfs/dbraw/zinc/71/57/58/966715758.db2.gz ILGYIRLPVIFNMS-SMDDNHRTSA-N 0 3 249.310 1.622 20 10 BDCDHN CCN(CCOC)Cc1ccc(O)c(O)c1 ZINC001203874093 966806391 /nfs/dbraw/zinc/80/63/91/966806391.db2.gz NRIRERGJLISWFC-UHFFFAOYSA-N 0 3 225.288 1.566 20 10 BDCDHN CN(C)C1(C)CN(Cc2ccc(O)c(O)c2)C1 ZINC001203882663 966807993 /nfs/dbraw/zinc/80/79/93/966807993.db2.gz PNQXIAQGNFRIII-UHFFFAOYSA-N 0 3 236.315 1.234 20 10 BDCDHN Oc1ccc(CN2CCC3(CCO3)CC2)cc1O ZINC001203882961 966808432 /nfs/dbraw/zinc/80/84/32/966808432.db2.gz YTJZCOQRYCEGKI-UHFFFAOYSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC001204272779 966953454 /nfs/dbraw/zinc/95/34/54/966953454.db2.gz RWBVAHKKUCYWJC-SNVBAGLBSA-N 0 3 237.299 1.302 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC001204272779 966953463 /nfs/dbraw/zinc/95/34/63/966953463.db2.gz RWBVAHKKUCYWJC-SNVBAGLBSA-N 0 3 237.299 1.302 20 10 BDCDHN COC[C@@H]1CCN1Cc1ccc(O)cc1O ZINC001204283067 966960649 /nfs/dbraw/zinc/96/06/49/966960649.db2.gz YCJJJOTZLCKPHD-JTQLQIEISA-N 0 3 223.272 1.319 20 10 BDCDHN COC(CN(C)Cc1ccc(O)cc1O)OC ZINC001204278316 966961901 /nfs/dbraw/zinc/96/19/01/966961901.db2.gz DJZNPYJUIDVEGH-UHFFFAOYSA-N 0 3 241.287 1.149 20 10 BDCDHN CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2[O-])C1 ZINC001169573058 969770324 /nfs/dbraw/zinc/77/03/24/969770324.db2.gz AQSBOSPXLKETDP-ZDUSSCGKSA-N 0 3 248.326 1.493 20 10 BDCDHN CCN1CC[C@@H]([NH2+]Cc2ccccc2[O-])CC1=O ZINC001172023124 974277087 /nfs/dbraw/zinc/27/70/87/974277087.db2.gz LHVQWYHJMOYZIN-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c([O-])c1 ZINC001333370398 975721261 /nfs/dbraw/zinc/72/12/61/975721261.db2.gz IMDGHSXXGOKQNZ-ZDUSSCGKSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c([O-])c1 ZINC001333370398 975721279 /nfs/dbraw/zinc/72/12/79/975721279.db2.gz IMDGHSXXGOKQNZ-ZDUSSCGKSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1cnccc1Nc1cccc(O)c1O ZINC001174539100 976828754 /nfs/dbraw/zinc/82/87/54/976828754.db2.gz CKZATDLWTBYALM-UHFFFAOYSA-N 0 3 216.240 1.967 20 10 BDCDHN [O-]c1ccc(F)cc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235045744 978963060 /nfs/dbraw/zinc/96/30/60/978963060.db2.gz VEHVWXZIPXFKON-NWDGAFQWSA-N 0 3 236.290 1.468 20 10 BDCDHN CCc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001236783995 979732305 /nfs/dbraw/zinc/73/23/05/979732305.db2.gz QWBQCDLINSMOEF-CQSZACIVSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1ccc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC001236783995 979732318 /nfs/dbraw/zinc/73/23/18/979732318.db2.gz QWBQCDLINSMOEF-CQSZACIVSA-N 0 3 235.327 1.911 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001237485733 979909230 /nfs/dbraw/zinc/90/92/30/979909230.db2.gz QXUDXMQLPMXTFL-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001237485733 979909237 /nfs/dbraw/zinc/90/92/37/979909237.db2.gz QXUDXMQLPMXTFL-RISCZKNCSA-N 0 3 235.327 1.903 20 10 BDCDHN OC[C@H]1CCCN1Cc1ccc(O)c(O)c1 ZINC001203875843 982557635 /nfs/dbraw/zinc/55/76/35/982557635.db2.gz XHHDZPAFIQMWOQ-SNVBAGLBSA-N 0 3 223.272 1.055 20 10 BDCDHN CC[C@@H](C)C[C@H](N)C(=O)NCc1ccc(N)cc1 ZINC001356237804 983590224 /nfs/dbraw/zinc/59/02/24/983590224.db2.gz AXPQFUIMNSBWCN-MFKMUULPSA-N 0 3 249.358 1.649 20 10 BDCDHN COC(=O)Cc1ccc(C[NH+]2CCC2)c([O-])c1 ZINC001249171508 989262649 /nfs/dbraw/zinc/26/26/49/989262649.db2.gz CTBAXANMFUOJOT-UHFFFAOYSA-N 0 3 235.283 1.313 20 10 BDCDHN CC(C)(C[NH3+])C(=O)NCc1c([O-])cccc1F ZINC001122173797 990276025 /nfs/dbraw/zinc/27/60/25/990276025.db2.gz OICMCMBLGUTFIR-UHFFFAOYSA-N 0 3 240.278 1.132 20 10 BDCDHN Cc1ccc(C)c(CN2CCCNC(=O)C2)c1O ZINC001140178406 991551833 /nfs/dbraw/zinc/55/18/33/991551833.db2.gz KTTCCHGHUNRJRN-UHFFFAOYSA-N 0 3 248.326 1.331 20 10 BDCDHN C[C@H](CCO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297575985 398208942 /nfs/dbraw/zinc/20/89/42/398208942.db2.gz GVUVOWXNRPCUOL-MWLCHTKSSA-N 0 3 221.300 1.740 20 10 BDCDHN CC[C@H](CO)[N@H+](C)Cc1cccc(C)c1[O-] ZINC000295021571 398264841 /nfs/dbraw/zinc/26/48/41/398264841.db2.gz CHKODZXRUSDEQH-GFCCVEGCSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[C@H](CO)[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000295021571 398264844 /nfs/dbraw/zinc/26/48/44/398264844.db2.gz CHKODZXRUSDEQH-GFCCVEGCSA-N 0 3 223.316 1.903 20 10 BDCDHN CN(C)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000132724094 398341247 /nfs/dbraw/zinc/34/12/47/398341247.db2.gz VDHQAEIAGURHGF-LBPRGKRZSA-N 0 3 220.316 1.528 20 10 BDCDHN CN(C)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000132724094 398341248 /nfs/dbraw/zinc/34/12/48/398341248.db2.gz VDHQAEIAGURHGF-LBPRGKRZSA-N 0 3 220.316 1.528 20 10 BDCDHN C[C@H](Cn1ccnc1)[NH2+]Cc1ccccc1[O-] ZINC000037157234 343337433 /nfs/dbraw/zinc/33/74/33/343337433.db2.gz HBINXFCYFXHCDT-LLVKDONJSA-N 0 3 231.299 1.767 20 10 BDCDHN C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1[O-] ZINC000041158894 343416042 /nfs/dbraw/zinc/41/60/42/343416042.db2.gz JNNZPKUEDXYIRA-SNVBAGLBSA-N 0 3 231.299 1.977 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]C[C@H](C)O)c1 ZINC000035629072 178803263 /nfs/dbraw/zinc/80/32/63/178803263.db2.gz WFPWAOXCHZCBEI-UWVGGRQHSA-N 0 3 209.289 1.732 20 10 BDCDHN COc1cccc(C[N@H+](C)CC(C)(C)O)c1[O-] ZINC000093414641 345669647 /nfs/dbraw/zinc/66/96/47/345669647.db2.gz DYPUWFLOYVQDFE-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(C[N@@H+](C)CC(C)(C)O)c1[O-] ZINC000093414641 345669650 /nfs/dbraw/zinc/66/96/50/345669650.db2.gz DYPUWFLOYVQDFE-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H](O)C(C)C)c1[O-] ZINC000162628341 179093494 /nfs/dbraw/zinc/09/34/94/179093494.db2.gz IFBBMFPZSMCWQU-LBPRGKRZSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1cccc(CNCc2ccnn2C)c1O ZINC000124700277 179095847 /nfs/dbraw/zinc/09/58/47/179095847.db2.gz WNGLVLAGQYNVAR-UHFFFAOYSA-N 0 3 231.299 1.724 20 10 BDCDHN Cc1cccc(C[NH2+][C@H](C)CCCO)c1[O-] ZINC000162871236 179099996 /nfs/dbraw/zinc/09/99/96/179099996.db2.gz CNYMVTRAUMSNSG-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN CC(=O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000111236158 188327791 /nfs/dbraw/zinc/32/77/91/188327791.db2.gz IACCOJPGWNGHRB-UHFFFAOYSA-N 0 3 207.273 1.803 20 10 BDCDHN CC(=O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000111236158 188327793 /nfs/dbraw/zinc/32/77/93/188327793.db2.gz IACCOJPGWNGHRB-UHFFFAOYSA-N 0 3 207.273 1.803 20 10 BDCDHN CC[C@@H](c1ccccc1[O-])[N@@H+]1CCNC(=O)CC1 ZINC000377545399 357234340 /nfs/dbraw/zinc/23/43/40/357234340.db2.gz XWISUKGCKDRVKQ-LBPRGKRZSA-N 0 3 248.326 1.665 20 10 BDCDHN CC[C@@H](c1ccccc1[O-])[N@H+]1CCNC(=O)CC1 ZINC000377545399 357234345 /nfs/dbraw/zinc/23/43/45/357234345.db2.gz XWISUKGCKDRVKQ-LBPRGKRZSA-N 0 3 248.326 1.665 20 10 BDCDHN [O-]c1ccccc1C[N@@H+](CCO)C1CC1 ZINC000128550729 183069436 /nfs/dbraw/zinc/06/94/36/183069436.db2.gz DUGUZJUULTWNMQ-UHFFFAOYSA-N 0 3 207.273 1.349 20 10 BDCDHN [O-]c1ccccc1C[N@H+](CCO)C1CC1 ZINC000128550729 183069437 /nfs/dbraw/zinc/06/94/37/183069437.db2.gz DUGUZJUULTWNMQ-UHFFFAOYSA-N 0 3 207.273 1.349 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(O)CC1 ZINC000179886155 183275172 /nfs/dbraw/zinc/27/51/72/183275172.db2.gz QFFJDHSEMOWESK-UHFFFAOYSA-N 0 3 225.263 1.488 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CCN(C2CC2)C1 ZINC000037649359 183303029 /nfs/dbraw/zinc/30/30/29/183303029.db2.gz CCJQMMIYKDCWTQ-GFCCVEGCSA-N 0 3 246.354 1.966 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000051991277 183303275 /nfs/dbraw/zinc/30/32/75/183303275.db2.gz OXIYYLGPQMPKBV-WCQYABFASA-N 0 3 221.300 1.785 20 10 BDCDHN CCCNC(=O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295856492 169228733 /nfs/dbraw/zinc/22/87/33/169228733.db2.gz GJXLFHLHXOSABU-LLVKDONJSA-N 0 3 248.326 1.495 20 10 BDCDHN CC[C@H](COC)[NH2+]Cc1ccccc1[O-] ZINC000070625070 383944053 /nfs/dbraw/zinc/94/40/53/383944053.db2.gz WCUWUYYMGRCPAH-LLVKDONJSA-N 0 3 209.289 1.907 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000092455960 384180354 /nfs/dbraw/zinc/18/03/54/384180354.db2.gz KQFIHBQRNFMOGI-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H]2CO)c1 ZINC000092455960 384180358 /nfs/dbraw/zinc/18/03/58/384180358.db2.gz KQFIHBQRNFMOGI-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN C[N@H+](CC[C@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000120532859 384358275 /nfs/dbraw/zinc/35/82/75/384358275.db2.gz YEHMZRZVOOADNG-NSHDSACASA-N 0 3 249.310 1.777 20 10 BDCDHN C[N@@H+](CC[C@H]1CCOC1=O)Cc1ccccc1[O-] ZINC000120532859 384358285 /nfs/dbraw/zinc/35/82/85/384358285.db2.gz YEHMZRZVOOADNG-NSHDSACASA-N 0 3 249.310 1.777 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)c([O-])c1 ZINC000050394624 384621471 /nfs/dbraw/zinc/62/14/71/384621471.db2.gz LYGSUGXQOILARF-PWSUYJOCSA-N 0 3 248.326 1.630 20 10 BDCDHN CC[C@@H]([NH2+]CCOCCO)c1ccccc1[O-] ZINC000020198900 384597465 /nfs/dbraw/zinc/59/74/65/384597465.db2.gz RRKHTSQVELCDHR-GFCCVEGCSA-N 0 3 239.315 1.442 20 10 BDCDHN CC[C@H](C[NH2+]Cc1cc(OC)ccc1[O-])OC ZINC000290818269 384785492 /nfs/dbraw/zinc/78/54/92/384785492.db2.gz GQUKAZNLKDEDSK-LLVKDONJSA-N 0 3 239.315 1.915 20 10 BDCDHN Cc1cccc(C[NH2+][C@H](C)C[S@@](C)=O)c1[O-] ZINC000164410423 384982067 /nfs/dbraw/zinc/98/20/67/384982067.db2.gz XZLIAZLAGMVDIL-HWPZZCPQSA-N 0 3 241.356 1.557 20 10 BDCDHN CC(C)(CCO)C[NH2+]Cc1ccccc1[O-] ZINC000164975054 385055925 /nfs/dbraw/zinc/05/59/25/385055925.db2.gz RTCJTKYMPJFRPA-UHFFFAOYSA-N 0 3 223.316 1.890 20 10 BDCDHN C[C@@H](O)CC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111422 385073158 /nfs/dbraw/zinc/07/31/58/385073158.db2.gz IMBXBDCOBBKTQQ-RKDXNWHRSA-N 0 3 227.279 1.953 20 10 BDCDHN C[C@H]([NH2+]CCN(C)C)c1cc(F)ccc1[O-] ZINC000087111295 385074360 /nfs/dbraw/zinc/07/43/60/385074360.db2.gz YZYDETNOFAPVGI-VIFPVBQESA-N 0 3 226.295 1.744 20 10 BDCDHN C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111360 385074793 /nfs/dbraw/zinc/07/47/93/385074793.db2.gz CECSZDLHXUAKEF-SFYZADRCSA-N 0 3 213.252 1.563 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191721889 385319162 /nfs/dbraw/zinc/31/91/62/385319162.db2.gz LOQXAIQCHNDMTO-YPMHNXCESA-N 0 3 235.327 1.761 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191721889 385319168 /nfs/dbraw/zinc/31/91/68/385319168.db2.gz LOQXAIQCHNDMTO-YPMHNXCESA-N 0 3 235.327 1.761 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000155011113 385369873 /nfs/dbraw/zinc/36/98/73/385369873.db2.gz SWVLMMBNWLNLHU-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000155011113 385369877 /nfs/dbraw/zinc/36/98/77/385369877.db2.gz SWVLMMBNWLNLHU-NSHDSACASA-N 0 3 248.326 1.398 20 10 BDCDHN COC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179582942 385476598 /nfs/dbraw/zinc/47/65/98/385476598.db2.gz WCFBBGSXOXONKM-CQSZACIVSA-N 0 3 249.310 1.777 20 10 BDCDHN COC(=O)[C@]1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179582942 385476599 /nfs/dbraw/zinc/47/65/99/385476599.db2.gz WCFBBGSXOXONKM-CQSZACIVSA-N 0 3 249.310 1.777 20 10 BDCDHN C[N@H+](CCn1cccn1)Cc1cc(F)ccc1[O-] ZINC000180146789 385507995 /nfs/dbraw/zinc/50/79/95/385507995.db2.gz YEHLOPZURKLOTM-UHFFFAOYSA-N 0 3 249.289 1.860 20 10 BDCDHN C[N@@H+](CCn1cccn1)Cc1cc(F)ccc1[O-] ZINC000180146789 385507999 /nfs/dbraw/zinc/50/79/99/385507999.db2.gz YEHLOPZURKLOTM-UHFFFAOYSA-N 0 3 249.289 1.860 20 10 BDCDHN C[C@]1(O)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180244709 385515983 /nfs/dbraw/zinc/51/59/83/385515983.db2.gz YXVWMSDCOKTGFJ-LBPRGKRZSA-N 0 3 225.263 1.488 20 10 BDCDHN C[C@]1(O)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180244709 385515986 /nfs/dbraw/zinc/51/59/86/385515986.db2.gz YXVWMSDCOKTGFJ-LBPRGKRZSA-N 0 3 225.263 1.488 20 10 BDCDHN C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180861568 385552318 /nfs/dbraw/zinc/55/23/18/385552318.db2.gz DWKXXHQEYMKAFM-ZJUUUORDSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H](O)[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180861568 385552320 /nfs/dbraw/zinc/55/23/20/385552320.db2.gz DWKXXHQEYMKAFM-ZJUUUORDSA-N 0 3 239.290 1.734 20 10 BDCDHN CCOC[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000269665725 385619929 /nfs/dbraw/zinc/61/99/29/385619929.db2.gz VRZZZAMNXPWHKF-GFCCVEGCSA-N 0 3 239.315 1.221 20 10 BDCDHN CCOC[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000269665725 385619933 /nfs/dbraw/zinc/61/99/33/385619933.db2.gz VRZZZAMNXPWHKF-GFCCVEGCSA-N 0 3 239.315 1.221 20 10 BDCDHN C[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000289179924 386269937 /nfs/dbraw/zinc/26/99/37/386269937.db2.gz AKDWHFRIQPHYGU-QMMMGPOBSA-N 0 3 213.252 1.344 20 10 BDCDHN C[C@@H](CO)[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000289179924 386269940 /nfs/dbraw/zinc/26/99/40/386269940.db2.gz AKDWHFRIQPHYGU-QMMMGPOBSA-N 0 3 213.252 1.344 20 10 BDCDHN C[C@@H]([NH2+]CCCCO)c1ccccc1[O-] ZINC000193276906 387205274 /nfs/dbraw/zinc/20/52/74/387205274.db2.gz KYQDQONWGJXDTM-SNVBAGLBSA-N 0 3 209.289 1.815 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H](C)CO)c1 ZINC000035629075 387577129 /nfs/dbraw/zinc/57/71/29/387577129.db2.gz RIBKYERJTKUHEX-NXEZZACHSA-N 0 3 209.289 1.732 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+]CC2COC2)c1 ZINC000528027359 387832499 /nfs/dbraw/zinc/83/24/99/387832499.db2.gz SEOMGIKZVYZELS-JTQLQIEISA-N 0 3 221.300 1.998 20 10 BDCDHN CCN(C)CC[NH2+]Cc1ccccc1[O-] ZINC000054109789 169701654 /nfs/dbraw/zinc/70/16/54/169701654.db2.gz JREQDUMSIUWJNH-UHFFFAOYSA-N 0 3 208.305 1.434 20 10 BDCDHN CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000163421384 168000599 /nfs/dbraw/zinc/00/05/99/168000599.db2.gz KOGUUWCKIQKSKL-RYUDHWBXSA-N 0 3 221.300 1.641 20 10 BDCDHN CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000189967842 168001378 /nfs/dbraw/zinc/00/13/78/168001378.db2.gz RISCGNHGUPMMPW-NEPJUHHUSA-N 0 3 239.290 1.780 20 10 BDCDHN CCNC(=O)[C@@H](C)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295778203 170089221 /nfs/dbraw/zinc/08/92/21/170089221.db2.gz ARVMKWNVMYQGMP-KOLCDFICSA-N 0 3 248.326 1.494 20 10 BDCDHN CN1CCC(C(=O)Nc2ccc(N)cc2)CC1 ZINC000237105843 172982381 /nfs/dbraw/zinc/98/23/81/172982381.db2.gz RXESYSMYHDIBKZ-UHFFFAOYSA-N 0 3 233.315 1.549 20 10 BDCDHN COCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000139746883 174280417 /nfs/dbraw/zinc/28/04/17/174280417.db2.gz BOUBBXWMJQCKRO-UHFFFAOYSA-N 0 3 213.252 1.610 20 10 BDCDHN COCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000139746883 174280418 /nfs/dbraw/zinc/28/04/18/174280418.db2.gz BOUBBXWMJQCKRO-UHFFFAOYSA-N 0 3 213.252 1.610 20 10 BDCDHN COCCN(CCO)Cc1cc(C)ccc1O ZINC000093006097 174293000 /nfs/dbraw/zinc/29/30/00/174293000.db2.gz SSLHOFNRKBFUNF-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COCC[N@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000093006097 174293002 /nfs/dbraw/zinc/29/30/02/174293002.db2.gz SSLHOFNRKBFUNF-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COCC[N@@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000093006097 174293006 /nfs/dbraw/zinc/29/30/06/174293006.db2.gz SSLHOFNRKBFUNF-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN COCC[NH+](CCOC)Cc1ccccc1[O-] ZINC000084827967 174296212 /nfs/dbraw/zinc/29/62/12/174296212.db2.gz GQSDAFWRKDRWJX-UHFFFAOYSA-N 0 3 239.315 1.487 20 10 BDCDHN COc1ccc(C[NH2+][C@H]2CCCOC2)c([O-])c1 ZINC000103964516 175112315 /nfs/dbraw/zinc/11/23/15/175112315.db2.gz MFCOUBNVBWPNBV-NSHDSACASA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000271732850 175157641 /nfs/dbraw/zinc/15/76/41/175157641.db2.gz NMWQQESXPPMKTA-SNVBAGLBSA-N 0 3 237.299 1.215 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000271732850 175157642 /nfs/dbraw/zinc/15/76/42/175157642.db2.gz NMWQQESXPPMKTA-SNVBAGLBSA-N 0 3 237.299 1.215 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)CN(C)C)c1 ZINC000168537300 175158520 /nfs/dbraw/zinc/15/85/20/175158520.db2.gz AXLSXXQBODIGJM-JTQLQIEISA-N 0 3 238.331 1.441 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000290941389 175158754 /nfs/dbraw/zinc/15/87/54/175158754.db2.gz PXTOBBFHUTZBGK-ZJUUUORDSA-N 0 3 239.315 1.914 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000191696013 175159160 /nfs/dbraw/zinc/15/91/60/175159160.db2.gz PXTOBBFHUTZBGK-VHSXEESVSA-N 0 3 239.315 1.914 20 10 BDCDHN COc1cccc(CN[C@H](C)c2cn[nH]c2)c1O ZINC000229884889 175267960 /nfs/dbraw/zinc/26/79/60/175267960.db2.gz ARZDLLFGEDVPAO-SECBINFHSA-N 0 3 247.298 1.975 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1CO ZINC000191718164 176301352 /nfs/dbraw/zinc/30/13/52/176301352.db2.gz MMPJQHKRSRBNEX-KOLCDFICSA-N 0 3 239.290 1.592 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1CO ZINC000191718164 176301354 /nfs/dbraw/zinc/30/13/54/176301354.db2.gz MMPJQHKRSRBNEX-KOLCDFICSA-N 0 3 239.290 1.592 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1CO ZINC000191718327 176307513 /nfs/dbraw/zinc/30/75/13/176307513.db2.gz QAUVOJDQDHTZCI-PWSUYJOCSA-N 0 3 221.300 1.452 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1CO ZINC000191718327 176307514 /nfs/dbraw/zinc/30/75/14/176307514.db2.gz QAUVOJDQDHTZCI-PWSUYJOCSA-N 0 3 221.300 1.452 20 10 BDCDHN C[C@H]([NH2+]CC(=O)N(C)C)c1ccccc1[O-] ZINC000037225422 176831550 /nfs/dbraw/zinc/83/15/50/176831550.db2.gz COTDUYIQPCTJMP-VIFPVBQESA-N 0 3 222.288 1.131 20 10 BDCDHN CCOc1ccc(C[NH2+][C@H](C)COC)c([O-])c1 ZINC000725844033 582897864 /nfs/dbraw/zinc/89/78/64/582897864.db2.gz JYACYNASOVQBMK-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN CC[C@H](C[NH2+]Cc1ccccc1[O-])C(=O)OC ZINC000895119248 583592841 /nfs/dbraw/zinc/59/28/41/583592841.db2.gz BKFOJHTWILXMOA-SNVBAGLBSA-N 0 3 237.299 1.681 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c([O-])c1 ZINC000895645378 583700844 /nfs/dbraw/zinc/70/08/44/583700844.db2.gz PYCQMJAAEYQKKL-AAEUAGOBSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c([O-])c1 ZINC000895645378 583700845 /nfs/dbraw/zinc/70/08/45/583700845.db2.gz PYCQMJAAEYQKKL-AAEUAGOBSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[O-] ZINC000895781389 583728573 /nfs/dbraw/zinc/72/85/73/583728573.db2.gz QYLBGAYKRJDHOT-YUTCNCBUSA-N 0 3 247.338 1.903 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1[O-] ZINC000895781389 583728574 /nfs/dbraw/zinc/72/85/74/583728574.db2.gz QYLBGAYKRJDHOT-YUTCNCBUSA-N 0 3 247.338 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2COC[C@H]2C)c([O-])c1 ZINC000896733138 583828017 /nfs/dbraw/zinc/82/80/17/583828017.db2.gz NCEAHIMOJWIHPD-ZYHUDNBSSA-N 0 3 221.300 1.825 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000897357048 583935836 /nfs/dbraw/zinc/93/58/36/583935836.db2.gz FGFMMKMJCVQKKO-HOMQSWHASA-N 0 3 237.299 1.261 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000825315400 585029268 /nfs/dbraw/zinc/02/92/68/585029268.db2.gz AAJXTUISEHYUCD-SKDRFNHKSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000825315400 585029269 /nfs/dbraw/zinc/02/92/69/585029269.db2.gz AAJXTUISEHYUCD-SKDRFNHKSA-N 0 3 239.290 1.734 20 10 BDCDHN Cc1ccc(O)c(CN2CC(C)(CO)C2)c1 ZINC000839144852 585092185 /nfs/dbraw/zinc/09/21/85/585092185.db2.gz BIUYQTLOPNFFBD-UHFFFAOYSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)C2CC(O)C2)c1 ZINC000761222538 585412457 /nfs/dbraw/zinc/41/24/57/585412457.db2.gz KMONJGYAPGSHPF-UHFFFAOYSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)C2CC(O)C2)c1 ZINC000761222538 585412458 /nfs/dbraw/zinc/41/24/58/585412458.db2.gz KMONJGYAPGSHPF-UHFFFAOYSA-N 0 3 221.300 1.656 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000768141392 585532787 /nfs/dbraw/zinc/53/27/87/585532787.db2.gz ZSUNBYHWTVMPIE-SNVBAGLBSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CCC[C@@H](O)C1 ZINC000768141392 585532788 /nfs/dbraw/zinc/53/27/88/585532788.db2.gz ZSUNBYHWTVMPIE-SNVBAGLBSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc([O-])c1C[NH+]1CCC(O)CC1 ZINC000768181894 585533547 /nfs/dbraw/zinc/53/35/47/585533547.db2.gz AJGOJMJYCKJKRT-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+](CCO)CC1CC1 ZINC000778999783 585743848 /nfs/dbraw/zinc/74/38/48/585743848.db2.gz QVWAOQIHDZDPII-UHFFFAOYSA-N 0 3 239.290 1.736 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+](CCO)CC1CC1 ZINC000778999783 585743849 /nfs/dbraw/zinc/74/38/49/585743849.db2.gz QVWAOQIHDZDPII-UHFFFAOYSA-N 0 3 239.290 1.736 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788266903 585920429 /nfs/dbraw/zinc/92/04/29/585920429.db2.gz CXUXWLXMQHACHS-CMPLNLGQSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788266903 585920430 /nfs/dbraw/zinc/92/04/30/585920430.db2.gz CXUXWLXMQHACHS-CMPLNLGQSA-N 0 3 221.300 1.656 20 10 BDCDHN C[C@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000788435040 585923107 /nfs/dbraw/zinc/92/31/07/585923107.db2.gz DISOIGPMKPEQEV-CYBMUJFWSA-N 0 3 239.290 1.878 20 10 BDCDHN C[C@]1(CO)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000788435040 585923108 /nfs/dbraw/zinc/92/31/08/585923108.db2.gz DISOIGPMKPEQEV-CYBMUJFWSA-N 0 3 239.290 1.878 20 10 BDCDHN CC[C@H]1CC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000793820153 586027088 /nfs/dbraw/zinc/02/70/88/586027088.db2.gz KLLDDXKGDQJCTA-GWCFXTLKSA-N 0 3 249.310 1.802 20 10 BDCDHN CC[C@H]1CC[N@H+]1Cc1cc2c(cc1[O-])OC[C@@H]2O ZINC000793820153 586027089 /nfs/dbraw/zinc/02/70/89/586027089.db2.gz KLLDDXKGDQJCTA-GWCFXTLKSA-N 0 3 249.310 1.802 20 10 BDCDHN CC(=O)[C@](C)(O)C[N@H+](C)Cc1ccccc1[O-] ZINC000809576430 586507858 /nfs/dbraw/zinc/50/78/58/586507858.db2.gz VUCKVWZWIOMBGI-CYBMUJFWSA-N 0 3 237.299 1.164 20 10 BDCDHN CC(=O)[C@](C)(O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000809576430 586507859 /nfs/dbraw/zinc/50/78/59/586507859.db2.gz VUCKVWZWIOMBGI-CYBMUJFWSA-N 0 3 237.299 1.164 20 10 BDCDHN CN(C)c1ccc(CN2CC3(C2)CCOC3)cc1 ZINC000816671641 586753635 /nfs/dbraw/zinc/75/36/35/586753635.db2.gz DJSRWDGUOPGSDX-UHFFFAOYSA-N 0 3 246.354 1.975 20 10 BDCDHN C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccccc1[O-] ZINC000817586750 586812697 /nfs/dbraw/zinc/81/26/97/586812697.db2.gz RUNZFEFKRYHTQY-SNVBAGLBSA-N 0 3 248.326 1.698 20 10 BDCDHN CC[C@@H]([NH2+]CCN)c1ccc(F)cc1[O-] ZINC000817937335 586844666 /nfs/dbraw/zinc/84/46/66/586844666.db2.gz WQQAGTCTODLWPA-SNVBAGLBSA-N 0 3 212.268 1.531 20 10 BDCDHN C[C@H]([NH2+]CCCN)c1cc(F)cc(F)c1[O-] ZINC000817938957 586844572 /nfs/dbraw/zinc/84/45/72/586844572.db2.gz WHEPHJIQUBHGCT-ZETCQYMHSA-N 0 3 230.258 1.670 20 10 BDCDHN C[C@H](NCCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817938957 586844573 /nfs/dbraw/zinc/84/45/73/586844573.db2.gz WHEPHJIQUBHGCT-ZETCQYMHSA-N 0 3 230.258 1.670 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCCNC1)c1ccc(F)cc1[O-] ZINC000817942126 586845616 /nfs/dbraw/zinc/84/56/16/586845616.db2.gz XADDSTHUDCLDOS-GXSJLCMTSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817942126 586845617 /nfs/dbraw/zinc/84/56/17/586845617.db2.gz XADDSTHUDCLDOS-GXSJLCMTSA-N 0 3 238.306 1.934 20 10 BDCDHN C[C@@H](NC[C@H]1CCC[NH2+]1)c1cc(F)ccc1[O-] ZINC000817951621 586847673 /nfs/dbraw/zinc/84/76/73/586847673.db2.gz HOSVXMSNMAKAKG-MWLCHTKSSA-N 0 3 238.306 1.934 20 10 BDCDHN CCNCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817952809 586848790 /nfs/dbraw/zinc/84/87/90/586848790.db2.gz UFYPZYLYJSGDOK-MRVPVSSYSA-N 0 3 244.285 1.931 20 10 BDCDHN C[C@@H]([NH2+][C@@H](CN)C1CC1)c1ccc(F)cc1[O-] ZINC000817961263 586852765 /nfs/dbraw/zinc/85/27/65/586852765.db2.gz VZZJHPDNXHVHIR-PELKAZGASA-N 0 3 238.306 1.919 20 10 BDCDHN CC[C@@H]([NH2+]CC1CNC1)c1ccc(F)cc1[O-] ZINC000817964944 586853794 /nfs/dbraw/zinc/85/37/94/586853794.db2.gz KBSKADQNZIZHQQ-GFCCVEGCSA-N 0 3 238.306 1.791 20 10 BDCDHN C[C@H]([NH3+])CN[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972906 586858692 /nfs/dbraw/zinc/85/86/92/586858692.db2.gz PJHRPWAXMIJZCF-YUMQZZPRSA-N 0 3 239.275 1.298 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](C)N)c1ccc(F)cc1[O-] ZINC000817972235 586859744 /nfs/dbraw/zinc/85/97/44/586859744.db2.gz KLTCAIXGKILTEB-JGVFFNPUSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817977118 586860445 /nfs/dbraw/zinc/86/04/45/586860445.db2.gz BQNXHWPDZLZDLP-VGMNWLOBSA-N 0 3 226.295 1.918 20 10 BDCDHN C[C@@H](N)[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817977617 586861662 /nfs/dbraw/zinc/86/16/62/586861662.db2.gz LRJWHDWNULJTKD-HLTSFMKQSA-N 0 3 226.295 1.918 20 10 BDCDHN CN1C[C@@H]2CCC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000822521110 587172716 /nfs/dbraw/zinc/17/27/16/587172716.db2.gz WKRMAZKERGKXMF-GXTWGEPZSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1C[C@@H]2CCC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000822521110 587172717 /nfs/dbraw/zinc/17/27/17/587172717.db2.gz WKRMAZKERGKXMF-GXTWGEPZSA-N 0 3 246.354 1.918 20 10 BDCDHN CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000825256777 587311272 /nfs/dbraw/zinc/31/12/72/587311272.db2.gz GNAWYLWDUCHXAA-PHIMTYICSA-N 0 3 237.299 1.404 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C2([C@@H](C)O)CC2)c1 ZINC000827585378 587390319 /nfs/dbraw/zinc/39/03/19/587390319.db2.gz HHASSAZRDRCADM-SNVBAGLBSA-N 0 3 221.300 1.704 20 10 BDCDHN CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000840826807 587923521 /nfs/dbraw/zinc/92/35/21/587923521.db2.gz WEQDVSWZTPHSTD-NTZNESFSSA-N 0 3 249.310 1.383 20 10 BDCDHN Cc1cc(N(C)C)ccc1CN1CC(CCO)C1 ZINC000840952897 587931621 /nfs/dbraw/zinc/93/16/21/587931621.db2.gz ITENSVZKDASEQP-UHFFFAOYSA-N 0 3 248.370 1.875 20 10 BDCDHN [O-]c1c(Cl)cccc1C[NH2+]C1CCNCC1 ZINC000841026829 587935749 /nfs/dbraw/zinc/93/57/49/587935749.db2.gz RNAULVIXCJWGEQ-UHFFFAOYSA-N 0 3 240.734 1.887 20 10 BDCDHN [O-]c1c(Cl)cccc1CNC1CC[NH2+]CC1 ZINC000841026829 587935751 /nfs/dbraw/zinc/93/57/51/587935751.db2.gz RNAULVIXCJWGEQ-UHFFFAOYSA-N 0 3 240.734 1.887 20 10 BDCDHN COc1cccc([O-])c1CNC[C@H]1CCC[NH2+]1 ZINC000841036605 587937781 /nfs/dbraw/zinc/93/77/81/587937781.db2.gz SLRVWECWYWRRON-SNVBAGLBSA-N 0 3 236.315 1.242 20 10 BDCDHN CC(C)C[C@H](CN)[NH2+]Cc1ccccc1[O-] ZINC000841037602 587938059 /nfs/dbraw/zinc/93/80/59/587938059.db2.gz BBKKJXNLUBQRAL-GFCCVEGCSA-N 0 3 222.332 1.855 20 10 BDCDHN CC[NH2+]CCNCc1c([O-])cccc1OC ZINC000841037224 587938160 /nfs/dbraw/zinc/93/81/60/587938160.db2.gz RALYKLNOUNYZNL-UHFFFAOYSA-N 0 3 224.304 1.100 20 10 BDCDHN C[C@@H](C[NH3+])CNCc1c([O-])cccc1Cl ZINC000841049159 587939814 /nfs/dbraw/zinc/93/98/14/587939814.db2.gz NRUSLVXXYPEHME-QMMMGPOBSA-N 0 3 228.723 1.730 20 10 BDCDHN C[C@@H](CC[NH3+])NCc1c([O-])cccc1Cl ZINC000841052451 587940286 /nfs/dbraw/zinc/94/02/86/587940286.db2.gz XCYCCKJCYKHKGJ-QMMMGPOBSA-N 0 3 228.723 1.873 20 10 BDCDHN C[C@H](CCN)[NH2+]Cc1cccc(F)c1[O-] ZINC000841052274 587940303 /nfs/dbraw/zinc/94/03/03/587940303.db2.gz SQRXWZDGQZUXDI-MRVPVSSYSA-N 0 3 212.268 1.358 20 10 BDCDHN Cc1cc([O-])c(CN2CC[C@H]([NH3+])C2)c(Cl)c1 ZINC000843047554 588076001 /nfs/dbraw/zinc/07/60/01/588076001.db2.gz WBFMJQCLPKFGKP-VIFPVBQESA-N 0 3 240.734 1.887 20 10 BDCDHN [NH3+]C[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843048364 588076275 /nfs/dbraw/zinc/07/62/75/588076275.db2.gz MCUKPSGZWIGNTN-VIFPVBQESA-N 0 3 224.279 1.312 20 10 BDCDHN C[C@@H]([NH3+])[C@@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843058754 588078220 /nfs/dbraw/zinc/07/82/20/588078220.db2.gz XNTFKSGCMNVVJB-NXEZZACHSA-N 0 3 238.306 1.700 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC000848905980 588418901 /nfs/dbraw/zinc/41/89/01/588418901.db2.gz OTRSUNDXEVTQFS-ZWNOBZJWSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC000848905980 588418903 /nfs/dbraw/zinc/41/89/03/588418903.db2.gz OTRSUNDXEVTQFS-ZWNOBZJWSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1cccc(CN2CCC[C@@H]2C(N)=O)c1O ZINC000848915615 588420217 /nfs/dbraw/zinc/42/02/17/588420217.db2.gz KNJFUGRVAFCGPP-GFCCVEGCSA-N 0 3 248.326 1.404 20 10 BDCDHN COc1ccc([O-])c(CNC(=[NH2+])NC2CCC2)c1 ZINC000849009067 588433833 /nfs/dbraw/zinc/43/38/33/588433833.db2.gz YFKKONHXIPFOKG-UHFFFAOYSA-N 0 3 249.314 1.567 20 10 BDCDHN [NH2+]=C(NCc1ccccc1[O-])Nc1ccccn1 ZINC000849057995 588451945 /nfs/dbraw/zinc/45/19/45/588451945.db2.gz JKTXMSZOEZVIHV-UHFFFAOYSA-N 0 3 242.282 1.924 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C/C=C/CO ZINC000850358033 588539367 /nfs/dbraw/zinc/53/93/67/588539367.db2.gz ZRFDDFAJGGPTQD-NSCUHMNNSA-N 0 3 223.272 1.039 20 10 BDCDHN CC[N@H+](CCN)Cc1cc(Cl)cc(F)c1[O-] ZINC000863644067 589307151 /nfs/dbraw/zinc/30/71/51/589307151.db2.gz ISUOSQCHPZNFRI-UHFFFAOYSA-N 0 3 246.713 1.965 20 10 BDCDHN CC[N@@H+](CCN)Cc1cc(Cl)cc(F)c1[O-] ZINC000863644067 589307153 /nfs/dbraw/zinc/30/71/53/589307153.db2.gz ISUOSQCHPZNFRI-UHFFFAOYSA-N 0 3 246.713 1.965 20 10 BDCDHN C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1[O-] ZINC000864454068 589366189 /nfs/dbraw/zinc/36/61/89/589366189.db2.gz STLFRFMULZNUIT-SCZZXKLOSA-N 0 3 219.288 1.415 20 10 BDCDHN CC[C@@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000870988214 589706841 /nfs/dbraw/zinc/70/68/41/589706841.db2.gz JCGOGVCBXZYIJT-PSASIEDQSA-N 0 3 222.288 1.307 20 10 BDCDHN CC(C)[C@H](N)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988045 589707188 /nfs/dbraw/zinc/70/71/88/589707188.db2.gz FAIVLJKMSZMUHI-CABZTGNLSA-N 0 3 236.315 1.553 20 10 BDCDHN CNC(=O)CC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC000876685796 590230243 /nfs/dbraw/zinc/23/02/43/590230243.db2.gz VPHHIYGROSMNRF-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN CNC(=O)CC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC000876685796 590230245 /nfs/dbraw/zinc/23/02/45/590230245.db2.gz VPHHIYGROSMNRF-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN CO[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876746758 590236845 /nfs/dbraw/zinc/23/68/45/590236845.db2.gz VYASDDOZUUDIRU-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN CO[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876746758 590236846 /nfs/dbraw/zinc/23/68/46/590236846.db2.gz VYASDDOZUUDIRU-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCNC(=O)C1CC1 ZINC000876892782 590254864 /nfs/dbraw/zinc/25/48/64/590254864.db2.gz TVLAKHJCHIYGBT-UHFFFAOYSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)C(C)(C)O)c([O-])c1 ZINC000876996295 590266566 /nfs/dbraw/zinc/26/65/66/590266566.db2.gz RJOHMPNQQUZQIS-JTQLQIEISA-N 0 3 223.316 1.950 20 10 BDCDHN CC[S@@](=O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877041836 590273601 /nfs/dbraw/zinc/27/36/01/590273601.db2.gz PIGYRAFWOYOVIW-MRXNPFEDSA-N 0 3 241.356 1.559 20 10 BDCDHN COC[C@@H](CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877050409 590274707 /nfs/dbraw/zinc/27/47/07/590274707.db2.gz ZQQXPGJSUOJOCX-GFCCVEGCSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c([O-])c1 ZINC000877053143 590275156 /nfs/dbraw/zinc/27/51/56/590275156.db2.gz DVQFQGLWTLNEGN-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN CC(C)NCC(=O)N(C)c1ccc(N)cc1 ZINC000877074899 590278324 /nfs/dbraw/zinc/27/83/24/590278324.db2.gz VBRAHAVGFJYINX-UHFFFAOYSA-N 0 3 221.304 1.230 20 10 BDCDHN C[C@@H]1CCN[C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877076703 590278807 /nfs/dbraw/zinc/27/88/07/590278807.db2.gz UDDXLQQQDSQLFI-MFKMUULPSA-N 0 3 247.342 1.620 20 10 BDCDHN COC[C@@H](C[NH2+]Cc1ccc(C)cc1[O-])OC ZINC000877188631 590299066 /nfs/dbraw/zinc/29/90/66/590299066.db2.gz DBRNTNRTBHYXBO-GFCCVEGCSA-N 0 3 239.315 1.452 20 10 BDCDHN C[C@@H](NC(=O)C1(N)CC1)c1ccccc1O ZINC000877255301 590304402 /nfs/dbraw/zinc/30/44/02/590304402.db2.gz CCUGLJRTHSHKNP-MRVPVSSYSA-N 0 3 220.272 1.061 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c([O-])c1 ZINC000877493069 590339594 /nfs/dbraw/zinc/33/95/94/590339594.db2.gz DAESLCHYQHCJNK-CQSZACIVSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c([O-])c1 ZINC000877493069 590339595 /nfs/dbraw/zinc/33/95/95/590339595.db2.gz DAESLCHYQHCJNK-CQSZACIVSA-N 0 3 248.326 1.398 20 10 BDCDHN COc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)c([O-])c1 ZINC000877493865 590340581 /nfs/dbraw/zinc/34/05/81/590340581.db2.gz PRSUEIAYVYYFIK-NXEZZACHSA-N 0 3 239.315 1.914 20 10 BDCDHN Cc1ccc(C[N@H+](C)CCCO)c([O-])c1 ZINC000877498247 590341277 /nfs/dbraw/zinc/34/12/77/590341277.db2.gz AESNRYTYYFPVOH-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CCCO)c([O-])c1 ZINC000877498247 590341281 /nfs/dbraw/zinc/34/12/81/590341281.db2.gz AESNRYTYYFPVOH-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN CNC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877596601 590370089 /nfs/dbraw/zinc/37/00/89/590370089.db2.gz UWENRDFQRUHZST-NSHDSACASA-N 0 3 248.326 1.269 20 10 BDCDHN CNC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877596601 590370092 /nfs/dbraw/zinc/37/00/92/590370092.db2.gz UWENRDFQRUHZST-NSHDSACASA-N 0 3 248.326 1.269 20 10 BDCDHN Cc1cccc([O-])c1C[NH+]1CC(C)(C(N)=O)C1 ZINC000877603103 590371734 /nfs/dbraw/zinc/37/17/34/590371734.db2.gz FIQZMOBWGXTVMH-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN CO[C@](C)(CO)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877617133 590374923 /nfs/dbraw/zinc/37/49/23/590374923.db2.gz LMEQJFDJIWVQAY-ZDUSSCGKSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1cccc(O)c1CN1CCc2n[nH]cc2C1 ZINC000877648078 590384072 /nfs/dbraw/zinc/38/40/72/590384072.db2.gz CIXCZZVOGYZSET-UHFFFAOYSA-N 0 3 243.310 1.982 20 10 BDCDHN COC(=O)C1(C[NH2+][C@@H](C)c2ccccc2[O-])CC1 ZINC000879650828 590843445 /nfs/dbraw/zinc/84/34/45/590843445.db2.gz SAMRMIONVJDZQL-JTQLQIEISA-N 0 3 249.310 1.996 20 10 BDCDHN C[C@H]([NH2+]CC(=O)N1CCC1)c1ccccc1[O-] ZINC000879651725 590843456 /nfs/dbraw/zinc/84/34/56/590843456.db2.gz IQTGZUPRBNGPMF-JTQLQIEISA-N 0 3 234.299 1.275 20 10 BDCDHN CN(CC[NH3+])Cc1c([O-])cccc1Cl ZINC000128321604 590988749 /nfs/dbraw/zinc/98/87/49/590988749.db2.gz BUCOYWANFYBZFO-UHFFFAOYSA-N 0 3 214.696 1.436 20 10 BDCDHN COc1ccc(CNCCN(C)OC)cc1C ZINC000883172538 591562081 /nfs/dbraw/zinc/56/20/81/591562081.db2.gz KRDPWFIAMCFUKE-UHFFFAOYSA-N 0 3 238.331 1.586 20 10 BDCDHN Nc1ccc(NC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884009484 591796860 /nfs/dbraw/zinc/79/68/60/591796860.db2.gz XVQLTBCKLFTYQP-NSHDSACASA-N 0 3 219.288 1.335 20 10 BDCDHN COc1ccc([O-])c(CNC(=[NH2+])NCC2CC2)c1 ZINC000887355189 592488023 /nfs/dbraw/zinc/48/80/23/592488023.db2.gz HCMIZNIXKPRZMT-UHFFFAOYSA-N 0 3 249.314 1.425 20 10 BDCDHN CO[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000300046287 592500967 /nfs/dbraw/zinc/50/09/67/592500967.db2.gz SPGDHDXYOKFEFO-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN CO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000300046287 592500970 /nfs/dbraw/zinc/50/09/70/592500970.db2.gz SPGDHDXYOKFEFO-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN CC[S@@](=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226609301 635437105 /nfs/dbraw/zinc/43/71/05/635437105.db2.gz ZMBPGEVHABGXQB-MRXNPFEDSA-N 0 3 245.319 1.390 20 10 BDCDHN Cc1cc(C)c([C@@H](C)N[C@@H]2CNOC2)c(O)c1 ZINC000925862322 635559051 /nfs/dbraw/zinc/55/90/51/635559051.db2.gz OGYPTPXODZJPMT-GHMZBOCLSA-N 0 3 236.315 1.563 20 10 BDCDHN C[C@H]([NH3+])CN(C)Cc1c([O-])cccc1Cl ZINC000309052958 631828216 /nfs/dbraw/zinc/82/82/16/631828216.db2.gz QWNWNEWMQKKWDT-QMMMGPOBSA-N 0 3 228.723 1.825 20 10 BDCDHN Cc1cc(Cl)cc([C@H](C)[NH2+]CCO)c1[O-] ZINC000309115181 631887033 /nfs/dbraw/zinc/88/70/33/631887033.db2.gz LGSHPHFRIOKRFP-QMMMGPOBSA-N 0 3 229.707 1.997 20 10 BDCDHN COCC1([NH2+]Cc2ccccc2[O-])CC1 ZINC000308864786 631988523 /nfs/dbraw/zinc/98/85/23/631988523.db2.gz AAXLAEZFTPQDSG-UHFFFAOYSA-N 0 3 207.273 1.661 20 10 BDCDHN C[C@H]1CN(Cc2cc(F)ccc2[O-])[C@@H](C)C[NH2+]1 ZINC000235639689 632806851 /nfs/dbraw/zinc/80/68/51/632806851.db2.gz DNWZVPBYUJOPDC-UWVGGRQHSA-N 0 3 238.306 1.714 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCc2cccc([O-])c21)C(=O)N(C)C ZINC000310868096 636682001 /nfs/dbraw/zinc/68/20/01/636682001.db2.gz PHRCNGIOLKTTJG-KOLCDFICSA-N 0 3 248.326 1.446 20 10 BDCDHN CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1[O-] ZINC000323503529 637005101 /nfs/dbraw/zinc/00/51/01/637005101.db2.gz DJZFXHSQTYEGAY-LOWVWBTDSA-N 0 3 237.299 1.193 20 10 BDCDHN C[C@H]([NH2+]CCn1cccn1)c1ccccc1[O-] ZINC000042538723 637277737 /nfs/dbraw/zinc/27/77/37/637277737.db2.gz FHBIMASKKRAEEM-NSHDSACASA-N 0 3 231.299 1.940 20 10 BDCDHN Cc1nnc(CC[NH2+][C@@H](C)c2ccccc2[O-])o1 ZINC000931554579 640273006 /nfs/dbraw/zinc/27/30/06/640273006.db2.gz RBPCNUHVMNMSRV-VIFPVBQESA-N 0 3 247.298 1.977 20 10 BDCDHN O=S1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000164778945 640505362 /nfs/dbraw/zinc/50/53/62/640505362.db2.gz BSBYZJLAVHQJQZ-UHFFFAOYSA-N 0 3 239.340 1.393 20 10 BDCDHN CC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000229970519 641000603 /nfs/dbraw/zinc/00/06/03/641000603.db2.gz ATUQDPYVNRMQIP-PSASIEDQSA-N 0 3 227.279 1.953 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](O)C1CC1)c1ccccc1[O-] ZINC000070880973 642448052 /nfs/dbraw/zinc/44/80/52/642448052.db2.gz LEMYBCKYWASALJ-RNCFNFMXSA-N 0 3 221.300 1.814 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCOC1 ZINC000180242095 642781394 /nfs/dbraw/zinc/78/13/94/642781394.db2.gz FPOAFWPJMYACFK-SNVBAGLBSA-N 0 3 239.290 2.000 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@H]1CCOC1 ZINC000180242095 642781401 /nfs/dbraw/zinc/78/14/01/642781401.db2.gz FPOAFWPJMYACFK-SNVBAGLBSA-N 0 3 239.290 2.000 20 10 BDCDHN CC[C@H](N)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817980959 644995591 /nfs/dbraw/zinc/99/55/91/644995591.db2.gz YOMMZIUDLFVWSL-SCZZXKLOSA-N 0 3 226.295 1.919 20 10 BDCDHN C[C@@H](NC/C=C/c1ccc(N(C)C)cc1)C(N)=O ZINC000835047681 645163492 /nfs/dbraw/zinc/16/34/92/645163492.db2.gz CRCPLNHCGUOPGA-SGUJLRQBSA-N 0 3 247.342 1.229 20 10 BDCDHN CCN1C[C@@H](C[NH2+]Cc2ccccc2[O-])CC1=O ZINC000846092478 645403325 /nfs/dbraw/zinc/40/33/25/645403325.db2.gz DILHDJAIROOFML-LLVKDONJSA-N 0 3 248.326 1.350 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(F)ccc1[O-] ZINC000927146989 645570767 /nfs/dbraw/zinc/57/07/67/645570767.db2.gz HROIXPWZKAUWDK-FXPVBKGRSA-N 0 3 239.290 1.953 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)c([O-])c1 ZINC000877578704 645800091 /nfs/dbraw/zinc/80/00/91/645800091.db2.gz LPLDVWHACSPAPK-VXGBXAGGSA-N 0 3 221.300 1.704 20 10 BDCDHN OCc1ccc(CNCc2ccccc2O)o1 ZINC000135171010 645878158 /nfs/dbraw/zinc/87/81/58/645878158.db2.gz XULHAMNVCOPNSO-UHFFFAOYSA-N 0 3 233.267 1.767 20 10 BDCDHN CC[C@H](N[C@@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925864453 646516230 /nfs/dbraw/zinc/51/62/30/646516230.db2.gz RFBKZLREBVCEEA-OCCSQVGLSA-N 0 3 249.358 1.697 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)CC(F)F ZINC000381498912 710647755 /nfs/dbraw/zinc/64/77/55/710647755.db2.gz NURFMXZZGUYEBT-VIFPVBQESA-N 0 3 231.242 1.498 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CCC1 ZINC000381570588 710656494 /nfs/dbraw/zinc/65/64/94/710656494.db2.gz WZJXTSPLEUZLQK-UHFFFAOYSA-N 0 3 224.279 1.327 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CCn1cccn1)CC2 ZINC000394143686 711186399 /nfs/dbraw/zinc/18/63/99/711186399.db2.gz MTMQPONQDYTTBA-GFCCVEGCSA-N 0 3 243.310 1.866 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@@H]1COCCO1)CC2 ZINC000386534189 711031882 /nfs/dbraw/zinc/03/18/82/711031882.db2.gz PRSZTEAAHPQUPJ-NEPJUHHUSA-N 0 3 249.310 1.385 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1=CCOCC1 ZINC000397610737 711387277 /nfs/dbraw/zinc/38/72/77/711387277.db2.gz BYQJFWJJYCBHJF-UHFFFAOYSA-N 0 3 237.274 1.968 20 10 BDCDHN COC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036891781 711480406 /nfs/dbraw/zinc/48/04/06/711480406.db2.gz RUMIMTIWHAQXGU-VIFPVBQESA-N 0 3 223.272 1.606 20 10 BDCDHN CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000895317467 711780747 /nfs/dbraw/zinc/78/07/47/711780747.db2.gz OWOXWLMULGCIJQ-LLVKDONJSA-N 0 3 234.299 1.006 20 10 BDCDHN CO[C@@](C)(CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000702532461 712055081 /nfs/dbraw/zinc/05/50/81/712055081.db2.gz QXQMJQBWPIKBLQ-GFCCVEGCSA-N 0 3 243.278 1.018 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1COCC[C@H]1O)CC2 ZINC000710859856 712259189 /nfs/dbraw/zinc/25/91/89/712259189.db2.gz JFSMXELLICTNTH-QJPTWQEYSA-N 0 3 249.310 1.119 20 10 BDCDHN C[C@H](C[NH3+])N(C)Cc1c([O-])cccc1Cl ZINC000383024996 712387044 /nfs/dbraw/zinc/38/70/44/712387044.db2.gz XWUDLWNPJJUFAI-MRVPVSSYSA-N 0 3 228.723 1.825 20 10 BDCDHN C[C@H]([NH2+]CC(=O)NC1CC1)c1ccccc1[O-] ZINC000036782451 712494862 /nfs/dbraw/zinc/49/48/62/712494862.db2.gz RMBBXNQVBVOLGT-VIFPVBQESA-N 0 3 234.299 1.321 20 10 BDCDHN c1cc(CN[C@]23C[C@H]2COC3)cc2c1OCC2 ZINC000717980619 712735417 /nfs/dbraw/zinc/73/54/17/712735417.db2.gz QDXSBPINYKUCEA-JSGCOSHPSA-N 0 3 231.295 1.500 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)CC2 ZINC000720991739 712886175 /nfs/dbraw/zinc/88/61/75/712886175.db2.gz IMZKOUDRTPHHKO-WCQGTBRESA-N 0 3 233.311 1.740 20 10 BDCDHN C[N@H+](Cc1ccc(O)cc1[O-])[C@H]1CCOC1 ZINC001204279087 966958749 /nfs/dbraw/zinc/95/87/49/966958749.db2.gz QBIFUIVYFIQJTQ-JTQLQIEISA-N 0 3 223.272 1.319 20 10 BDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])[C@H]1CCOC1 ZINC001204279087 966958755 /nfs/dbraw/zinc/95/87/55/966958755.db2.gz QBIFUIVYFIQJTQ-JTQLQIEISA-N 0 3 223.272 1.319 20 10 BDCDHN CCCC[C@@H](O)C[NH2+]Cc1ccc(O)cc1[O-] ZINC001252111274 968595293 /nfs/dbraw/zinc/59/52/93/968595293.db2.gz RCGJZRAASFNLBT-GFCCVEGCSA-N 0 3 239.315 1.739 20 10 BDCDHN COc1ccc(C[NH2+][C@@H]2CCOC2)c([O-])c1 ZINC000087784035 968859865 /nfs/dbraw/zinc/85/98/65/968859865.db2.gz KUTMMAZMRPPNJE-SNVBAGLBSA-N 0 3 223.272 1.279 20 10 BDCDHN C[C@@H]([NH2+]CCN1CCCC1=O)c1ccccc1[O-] ZINC000405402193 971247297 /nfs/dbraw/zinc/24/72/97/971247297.db2.gz NNKRCBUEXIEPRO-LLVKDONJSA-N 0 3 248.326 1.665 20 10 BDCDHN Cc1ccc(O)c(CN2CC(N3CCCC3)C2)c1 ZINC001140620983 960466816 /nfs/dbraw/zinc/46/68/16/960466816.db2.gz JUIPRRCHEVVDMU-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1ccc(CN2CC(N3CCCC3)C2)c(O)c1 ZINC001140949857 960746674 /nfs/dbraw/zinc/74/66/74/960746674.db2.gz NPNRDLRQIYBHJQ-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN CN1CCOc2cc(CN3CC[C@@H](O)C3)ccc21 ZINC001141140486 960887589 /nfs/dbraw/zinc/88/75/89/960887589.db2.gz MVDLHXWSJWURPS-GFCCVEGCSA-N 0 3 248.326 1.082 20 10 BDCDHN COCC1CN(Cc2cc(O)ccc2O)C1 ZINC001141155611 960890304 /nfs/dbraw/zinc/89/03/04/960890304.db2.gz BAFKACYVTQHBGD-UHFFFAOYSA-N 0 3 223.272 1.176 20 10 BDCDHN CN(C)C1(C)CN(Cc2cc(O)ccc2O)C1 ZINC001141159821 960896861 /nfs/dbraw/zinc/89/68/61/960896861.db2.gz LTMGIDQSCUOFQE-UHFFFAOYSA-N 0 3 236.315 1.234 20 10 BDCDHN CCN1C[C@@H]2C[C@H]1CN2Cc1cc(O)ccc1O ZINC001141162760 960904024 /nfs/dbraw/zinc/90/40/24/960904024.db2.gz CIORTZWLRSQOCJ-RYUDHWBXSA-N 0 3 248.326 1.376 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC001203550487 966683494 /nfs/dbraw/zinc/68/34/94/966683494.db2.gz VYJGEAUFQZLHCU-YPMHNXCESA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])CC[C@@H]1O ZINC001203550487 966683507 /nfs/dbraw/zinc/68/35/07/966683507.db2.gz VYJGEAUFQZLHCU-YPMHNXCESA-N 0 3 235.327 1.985 20 10 BDCDHN CCN(Cc1ccccc1O)C1CN(C)C1 ZINC001203561418 966693179 /nfs/dbraw/zinc/69/31/79/966693179.db2.gz VQZCGFFUYBMZAB-UHFFFAOYSA-N 0 3 220.316 1.528 20 10 BDCDHN COc1cccc(CN2CC(N(C)C)C2)c1O ZINC001203584388 966695221 /nfs/dbraw/zinc/69/52/21/966695221.db2.gz AGLXKZMSHNCAFA-UHFFFAOYSA-N 0 3 236.315 1.147 20 10 BDCDHN C[C@H]1C[C@@H](CO)N(Cc2ccc(O)c(O)c2)C1 ZINC001203875592 966807145 /nfs/dbraw/zinc/80/71/45/966807145.db2.gz RDQLNMMPRIMWEA-ONGXEEELSA-N 0 3 237.299 1.301 20 10 BDCDHN Oc1ccc(CN2CC(N3CCCC3)C2)cc1O ZINC001203882208 966808475 /nfs/dbraw/zinc/80/84/75/966808475.db2.gz GDTLSYPUCKRFGU-UHFFFAOYSA-N 0 3 248.326 1.378 20 10 BDCDHN CCN(CC)c1ccc(CN2CC(CO)C2)cc1 ZINC001203938924 966825922 /nfs/dbraw/zinc/82/59/22/966825922.db2.gz GIBFDNDKYXMCOK-UHFFFAOYSA-N 0 3 248.370 1.957 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](CO)C1 ZINC001204272778 966951157 /nfs/dbraw/zinc/95/11/57/966951157.db2.gz RWBVAHKKUCYWJC-JTQLQIEISA-N 0 3 237.299 1.302 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](CO)C1 ZINC001204272778 966951163 /nfs/dbraw/zinc/95/11/63/966951163.db2.gz RWBVAHKKUCYWJC-JTQLQIEISA-N 0 3 237.299 1.302 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])CCCO1 ZINC001204273069 966952756 /nfs/dbraw/zinc/95/27/56/966952756.db2.gz WHPRQJHZOAICLC-SNVBAGLBSA-N 0 3 237.299 1.709 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CCCO1 ZINC001204273069 966952766 /nfs/dbraw/zinc/95/27/66/966952766.db2.gz WHPRQJHZOAICLC-SNVBAGLBSA-N 0 3 237.299 1.709 20 10 BDCDHN COC[C@H]1CCN1Cc1ccc(O)cc1O ZINC001204283068 966958963 /nfs/dbraw/zinc/95/89/63/966958963.db2.gz YCJJJOTZLCKPHD-SNVBAGLBSA-N 0 3 223.272 1.319 20 10 BDCDHN C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204276988 966959291 /nfs/dbraw/zinc/95/92/91/966959291.db2.gz VBPBDDXWCZFBBS-KOLCDFICSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204276988 966959300 /nfs/dbraw/zinc/95/93/00/966959300.db2.gz VBPBDDXWCZFBBS-KOLCDFICSA-N 0 3 237.299 1.301 20 10 BDCDHN COC(=O)CC[N@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278178 966959935 /nfs/dbraw/zinc/95/99/35/966959935.db2.gz WQRGPERZXZTZQF-UHFFFAOYSA-N 0 3 239.271 1.093 20 10 BDCDHN COC(=O)CC[N@@H+](C)Cc1ccc(O)cc1[O-] ZINC001204278178 966959945 /nfs/dbraw/zinc/95/99/45/966959945.db2.gz WQRGPERZXZTZQF-UHFFFAOYSA-N 0 3 239.271 1.093 20 10 BDCDHN COCCC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209053089 969338728 /nfs/dbraw/zinc/33/87/28/969338728.db2.gz ACFDVCVEOFOENG-UHFFFAOYSA-N 0 3 221.300 1.787 20 10 BDCDHN COCCC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209053089 969338734 /nfs/dbraw/zinc/33/87/34/969338734.db2.gz ACFDVCVEOFOENG-UHFFFAOYSA-N 0 3 221.300 1.787 20 10 BDCDHN Oc1cc(O)c(CN2CC(C(F)F)C2)c(O)c1 ZINC001144520366 972853232 /nfs/dbraw/zinc/85/32/32/972853232.db2.gz MZAXFCCKOOSDNL-UHFFFAOYSA-N 0 3 245.225 1.500 20 10 BDCDHN COC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000234889667 973774774 /nfs/dbraw/zinc/77/47/74/973774774.db2.gz WHBSTPBZUBAACS-WCBMZHEXSA-N 0 3 243.278 1.189 20 10 BDCDHN Oc1cc(O)c(CN2CCC[C@@H]3C[C@@H]32)cc1O ZINC001233486889 978611671 /nfs/dbraw/zinc/61/16/71/978611671.db2.gz HJHDCIWHCLQMHM-SCZZXKLOSA-N 0 3 235.283 1.788 20 10 BDCDHN [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(F)ccc2[O-])C1 ZINC001206424681 978914295 /nfs/dbraw/zinc/91/42/95/978914295.db2.gz RPCBHZSMJAWIKC-MNOVXSKESA-N 0 3 242.269 1.402 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001204280460 978943582 /nfs/dbraw/zinc/94/35/82/978943582.db2.gz KFINQBIUAPUWIO-SMDDNHRTSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2OCC[C@H]2C1 ZINC001204280460 978943587 /nfs/dbraw/zinc/94/35/87/978943587.db2.gz KFINQBIUAPUWIO-SMDDNHRTSA-N 0 3 249.310 1.709 20 10 BDCDHN CCc1ccc(C[N@H+](C)CCO)c([O-])c1 ZINC001236256849 979477966 /nfs/dbraw/zinc/47/79/66/979477966.db2.gz SXXKECNDZLHELZ-UHFFFAOYSA-N 0 3 209.289 1.379 20 10 BDCDHN CCc1ccc(C[N@@H+](C)CCO)c([O-])c1 ZINC001236256849 979477972 /nfs/dbraw/zinc/47/79/72/979477972.db2.gz SXXKECNDZLHELZ-UHFFFAOYSA-N 0 3 209.289 1.379 20 10 BDCDHN CC(C)([NH3+])CC(=O)NCc1c([O-])cccc1F ZINC001342535053 979824171 /nfs/dbraw/zinc/82/41/71/979824171.db2.gz FTERZUBEWWTZCP-UHFFFAOYSA-N 0 3 240.278 1.275 20 10 BDCDHN Cc1cccc([O-])c1C[NH+]1CC(C2COC2)C1 ZINC001237481682 979908794 /nfs/dbraw/zinc/90/87/94/979908794.db2.gz HFKHUPDHENEDTH-UHFFFAOYSA-N 0 3 233.311 1.779 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC2(CN(C)C2)C1 ZINC001237490725 979919098 /nfs/dbraw/zinc/91/90/98/979919098.db2.gz DZUGPCJYNUEYDP-UHFFFAOYSA-N 0 3 246.354 1.838 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC2(CN(C)C2)C1 ZINC001237490725 979919107 /nfs/dbraw/zinc/91/91/07/979919107.db2.gz DZUGPCJYNUEYDP-UHFFFAOYSA-N 0 3 246.354 1.838 20 10 BDCDHN COc1cccc(CN2CC=CC2)c1O ZINC001203584848 979972542 /nfs/dbraw/zinc/97/25/42/979972542.db2.gz HRVHNTFHJJSEFX-UHFFFAOYSA-N 0 3 205.257 1.773 20 10 BDCDHN CC(C)[C@H](C(=O)NCc1ccc(N)cc1)N(C)C ZINC001343567857 980150774 /nfs/dbraw/zinc/15/07/74/980150774.db2.gz UCEVKYZWTPYLEE-CYBMUJFWSA-N 0 3 249.358 1.471 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690779170 987280928 /nfs/dbraw/zinc/28/09/28/987280928.db2.gz AEVXFSPOLMLKGW-QWHCGFSZSA-N 0 3 233.311 1.861 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690779170 987280939 /nfs/dbraw/zinc/28/09/39/987280939.db2.gz AEVXFSPOLMLKGW-QWHCGFSZSA-N 0 3 233.311 1.861 20 10 BDCDHN C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140057410 991507265 /nfs/dbraw/zinc/50/72/65/991507265.db2.gz GPQSNAOWAAARGS-CABZTGNLSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@H]1CC[C@@H](CO)[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140057410 991507272 /nfs/dbraw/zinc/50/72/72/991507272.db2.gz GPQSNAOWAAARGS-CABZTGNLSA-N 0 3 239.290 1.877 20 10 BDCDHN CN(C)C1CN(Cc2cc(F)ccc2O)C1 ZINC001140057612 991510884 /nfs/dbraw/zinc/51/08/84/991510884.db2.gz HZGDCXLFZLBEBJ-UHFFFAOYSA-N 0 3 224.279 1.277 20 10 BDCDHN [O-]c1cccc(Cl)c1CNC1C[NH2+]C1 ZINC001574439989 992859101 /nfs/dbraw/zinc/85/91/01/992859101.db2.gz KGCVLNFKZKRHTL-UHFFFAOYSA-N 0 3 212.680 1.107 20 10 BDCDHN CC1(C)[C@H](N)C[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC001576380056 993287074 /nfs/dbraw/zinc/28/70/74/993287074.db2.gz GHZHYDPRQFBPFX-GHMZBOCLSA-N 0 3 238.306 1.747 20 10 BDCDHN Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C2)c1[O-] ZINC000132489803 178064359 /nfs/dbraw/zinc/06/43/59/178064359.db2.gz CGYZXEGAVYPIOU-LLVKDONJSA-N 0 3 241.718 1.921 20 10 BDCDHN Cc1cc(Cl)cc(C[N@H+]2CC[C@@H](O)C2)c1[O-] ZINC000132489803 178064361 /nfs/dbraw/zinc/06/43/61/178064361.db2.gz CGYZXEGAVYPIOU-LLVKDONJSA-N 0 3 241.718 1.921 20 10 BDCDHN CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000133139543 398310538 /nfs/dbraw/zinc/31/05/38/398310538.db2.gz UDNXNDAMHZTKIO-VHSXEESVSA-N 0 3 209.289 1.905 20 10 BDCDHN C[C@H](C[NH2+][C@H](C)c1ccccc1[O-])N(C)C ZINC000038088823 343370157 /nfs/dbraw/zinc/37/01/57/343370157.db2.gz MDKUBGOFDWNOJN-GHMZBOCLSA-N 0 3 222.332 1.993 20 10 BDCDHN Cc1ccc([O-])c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000158631836 178789526 /nfs/dbraw/zinc/78/95/26/178789526.db2.gz CJXHIWZHAIJNLV-UHFFFAOYSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C2(CO)CCC2)c1 ZINC000157502654 178795504 /nfs/dbraw/zinc/79/55/04/178795504.db2.gz ABHXECGAMRXXFK-UHFFFAOYSA-N 0 3 221.300 1.705 20 10 BDCDHN Cc1cccc(C[N@@H+](C)[C@H](C)CO)c1[O-] ZINC000289488547 179069351 /nfs/dbraw/zinc/06/93/51/179069351.db2.gz RJAXZRIMQPSCPA-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc(C[N@H+](C)[C@H](C)CO)c1[O-] ZINC000289488547 179069354 /nfs/dbraw/zinc/06/93/54/179069354.db2.gz RJAXZRIMQPSCPA-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H](O)C(C)C)c1[O-] ZINC000162628464 179091338 /nfs/dbraw/zinc/09/13/38/179091338.db2.gz IFBBMFPZSMCWQU-GFCCVEGCSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCOC2)c1[O-] ZINC000162827620 179092077 /nfs/dbraw/zinc/09/20/77/179092077.db2.gz SLYUTELQIVDTRK-NSHDSACASA-N 0 3 221.300 1.827 20 10 BDCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC000275838243 351606394 /nfs/dbraw/zinc/60/63/94/351606394.db2.gz GNNPGQXEHTXDGN-CYBMUJFWSA-N 0 3 235.327 1.985 20 10 BDCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC000275838243 351606398 /nfs/dbraw/zinc/60/63/98/351606398.db2.gz GNNPGQXEHTXDGN-CYBMUJFWSA-N 0 3 235.327 1.985 20 10 BDCDHN CC[C@H]([NH2+]C[C@@H](O)COC)c1ccccc1[O-] ZINC000071269702 188305950 /nfs/dbraw/zinc/30/59/50/188305950.db2.gz CBJJIYBUZVNTMR-PWSUYJOCSA-N 0 3 239.315 1.440 20 10 BDCDHN CC(C)N(C)CC(=O)NCCc1ccc(N)cc1 ZINC000236649082 188367065 /nfs/dbraw/zinc/36/70/65/188367065.db2.gz FZYNYMJKCHVPFH-UHFFFAOYSA-N 0 3 249.358 1.268 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H](CO)C1 ZINC000183244107 183151266 /nfs/dbraw/zinc/15/12/66/183151266.db2.gz CGXZDIJNOKCLCH-JTQLQIEISA-N 0 3 239.290 1.736 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H](CO)C1 ZINC000183244107 183151268 /nfs/dbraw/zinc/15/12/68/183151268.db2.gz CGXZDIJNOKCLCH-JTQLQIEISA-N 0 3 239.290 1.736 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN1CCC[NH2+]CC1 ZINC000038086985 183273682 /nfs/dbraw/zinc/27/36/82/183273682.db2.gz ZGLYXXBVGMMNBK-UHFFFAOYSA-N 0 3 240.734 1.841 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1CCOC1 ZINC000226584606 183275785 /nfs/dbraw/zinc/27/57/85/183275785.db2.gz YMIMDYNEPBIDNY-SECBINFHSA-N 0 3 225.263 1.657 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)C1CC1 ZINC000070880277 183304138 /nfs/dbraw/zinc/30/41/38/183304138.db2.gz RTNHHAZPHGGSJN-LBPRGKRZSA-N 0 3 207.273 1.253 20 10 BDCDHN CCCNC(=O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295856494 169228758 /nfs/dbraw/zinc/22/87/58/169228758.db2.gz GJXLFHLHXOSABU-NSHDSACASA-N 0 3 248.326 1.495 20 10 BDCDHN CCOCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000036229034 383891100 /nfs/dbraw/zinc/89/11/00/383891100.db2.gz WEKHGADVCDETSN-UHFFFAOYSA-N 0 3 225.288 1.527 20 10 BDCDHN C[C@@H](C[NH2+][C@@H](C)c1ccccc1[O-])N(C)C ZINC000038088820 384067650 /nfs/dbraw/zinc/06/76/50/384067650.db2.gz MDKUBGOFDWNOJN-QWRGUYRKSA-N 0 3 222.332 1.993 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C2CCN(C)CC2)c1 ZINC000071407038 384166375 /nfs/dbraw/zinc/16/63/75/384166375.db2.gz BSRSRLMRZPMEHZ-UHFFFAOYSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCCCNC2=O)c1 ZINC000071407443 384166917 /nfs/dbraw/zinc/16/69/17/384166917.db2.gz AMBMKQXXHNFUFY-LBPRGKRZSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1ccc(O)c(CN[C@H]2CCCCNC2=O)c1 ZINC000071407443 384166921 /nfs/dbraw/zinc/16/69/21/384166921.db2.gz AMBMKQXXHNFUFY-LBPRGKRZSA-N 0 3 248.326 1.459 20 10 BDCDHN C[C@@H](O)[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000134735178 384383889 /nfs/dbraw/zinc/38/38/89/384383889.db2.gz AKKCRFDCTQIEJJ-MNOVXSKESA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000134735178 384383895 /nfs/dbraw/zinc/38/38/95/384383895.db2.gz AKKCRFDCTQIEJJ-MNOVXSKESA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H]([NH2+]CCn1cncn1)c1ccccc1[O-] ZINC000271672365 384628729 /nfs/dbraw/zinc/62/87/29/384628729.db2.gz NUOLGEMXXZEFJD-JTQLQIEISA-N 0 3 232.287 1.335 20 10 BDCDHN CC[C@](C)(O)C[NH2+]Cc1cccc(C)c1[O-] ZINC000162826535 384693060 /nfs/dbraw/zinc/69/30/60/384693060.db2.gz LIYTZXCMCSFIPX-ZDUSSCGKSA-N 0 3 223.316 1.951 20 10 BDCDHN CCOc1cccc(CN2CC[C@@H](O)C2)c1O ZINC000271052319 384704449 /nfs/dbraw/zinc/70/44/49/384704449.db2.gz WTPPUTDCTZVLHR-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN CCOc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1[O-] ZINC000271052319 384704462 /nfs/dbraw/zinc/70/44/62/384704462.db2.gz WTPPUTDCTZVLHR-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN CCOc1cccc(C[N@H+]2CC[C@@H](O)C2)c1[O-] ZINC000271052319 384704466 /nfs/dbraw/zinc/70/44/66/384704466.db2.gz WTPPUTDCTZVLHR-LLVKDONJSA-N 0 3 237.299 1.358 20 10 BDCDHN CC[C@@H]([NH2+]CCN(C)C)c1ccccc1[O-] ZINC000021962846 384712055 /nfs/dbraw/zinc/71/20/55/384712055.db2.gz IRKQVCLJRCIFPI-GFCCVEGCSA-N 0 3 222.332 1.995 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1[O-] ZINC000084061487 384832247 /nfs/dbraw/zinc/83/22/47/384832247.db2.gz MJMJXDGJRCWKJL-MNOVXSKESA-N 0 3 248.326 1.664 20 10 BDCDHN C[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111359 385073248 /nfs/dbraw/zinc/07/32/48/385073248.db2.gz CECSZDLHXUAKEF-YUMQZZPRSA-N 0 3 213.252 1.563 20 10 BDCDHN COC(=O)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000188670754 385076094 /nfs/dbraw/zinc/07/60/94/385076094.db2.gz HOJBZJMKQGMEDQ-UHFFFAOYSA-N 0 3 235.283 1.435 20 10 BDCDHN C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccccc1[O-] ZINC000131297539 385323816 /nfs/dbraw/zinc/32/38/16/385323816.db2.gz RIHUFTMVZIWJMN-MGPLVRAMSA-N 0 3 241.356 1.639 20 10 BDCDHN CC(C)(O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000180737917 385395146 /nfs/dbraw/zinc/39/51/46/385395146.db2.gz YPHFPNKEGGJZGK-UHFFFAOYSA-N 0 3 213.252 1.392 20 10 BDCDHN C[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180185825 385511242 /nfs/dbraw/zinc/51/12/42/385511242.db2.gz PLQIKNHCYYPJTE-CYBMUJFWSA-N 0 3 239.290 1.878 20 10 BDCDHN C[C@@]1(O)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180185825 385511245 /nfs/dbraw/zinc/51/12/45/385511245.db2.gz PLQIKNHCYYPJTE-CYBMUJFWSA-N 0 3 239.290 1.878 20 10 BDCDHN C[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180185811 385511987 /nfs/dbraw/zinc/51/19/87/385511987.db2.gz PLQIKNHCYYPJTE-ZDUSSCGKSA-N 0 3 239.290 1.878 20 10 BDCDHN C[C@]1(O)CCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180185811 385511991 /nfs/dbraw/zinc/51/19/91/385511991.db2.gz PLQIKNHCYYPJTE-ZDUSSCGKSA-N 0 3 239.290 1.878 20 10 BDCDHN C[C@@]1(C(=O)Nc2ccc(N)cc2)CCCCN1 ZINC000180895606 385554334 /nfs/dbraw/zinc/55/43/34/385554334.db2.gz LJVSZEVUZQHMNY-ZDUSSCGKSA-N 0 3 233.315 1.740 20 10 BDCDHN CC(C)[C@@H](O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226608792 386345156 /nfs/dbraw/zinc/34/51/56/386345156.db2.gz DYADZUVHGNEEOU-LBPRGKRZSA-N 0 3 227.279 1.638 20 10 BDCDHN CO[C@H]1COC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000289890538 386366643 /nfs/dbraw/zinc/36/66/43/386366643.db2.gz SRTOTIGARQEDNW-JSGCOSHPSA-N 0 3 249.310 1.125 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCCOCCO)c1 ZINC000227335420 386476556 /nfs/dbraw/zinc/47/65/56/386476556.db2.gz YHQHTQYFDARXOE-UHFFFAOYSA-N 0 3 239.315 1.189 20 10 BDCDHN C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000227976210 386527216 /nfs/dbraw/zinc/52/72/16/386527216.db2.gz GVMJINDZUHHTOR-GXFFZTMASA-N 0 3 237.299 1.022 20 10 BDCDHN CC[C@H](CO)[N@H+](C)Cc1cccc(OC)c1[O-] ZINC000294666755 386684281 /nfs/dbraw/zinc/68/42/81/386684281.db2.gz AGKDHZDCNUULQL-LLVKDONJSA-N 0 3 239.315 1.604 20 10 BDCDHN CC[C@H](CO)[N@@H+](C)Cc1cccc(OC)c1[O-] ZINC000294666755 386684287 /nfs/dbraw/zinc/68/42/87/386684287.db2.gz AGKDHZDCNUULQL-LLVKDONJSA-N 0 3 239.315 1.604 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000295122456 386693419 /nfs/dbraw/zinc/69/34/19/386693419.db2.gz WVCFCBNPSORDRH-YPMHNXCESA-N 0 3 235.327 1.951 20 10 BDCDHN COC[C@@H]1CC[N@@H+]1Cc1ccccc1[O-] ZINC000293729660 386868393 /nfs/dbraw/zinc/86/83/93/386868393.db2.gz URZOQRPYFPHVGE-NSHDSACASA-N 0 3 207.273 1.613 20 10 BDCDHN COC[C@@H]1CC[N@H+]1Cc1ccccc1[O-] ZINC000293729660 386868400 /nfs/dbraw/zinc/86/84/00/386868400.db2.gz URZOQRPYFPHVGE-NSHDSACASA-N 0 3 207.273 1.613 20 10 BDCDHN CN(C)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296126486 388418596 /nfs/dbraw/zinc/41/85/96/388418596.db2.gz VPBFAMLFJOBPJI-LBPRGKRZSA-N 0 3 234.343 1.921 20 10 BDCDHN C[C@@H](CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295782694 398087720 /nfs/dbraw/zinc/08/77/20/398087720.db2.gz AZVWVETYNIOKNZ-KOLCDFICSA-N 0 3 221.300 1.598 20 10 BDCDHN CCOc1cccc(C[NH2+]CC2COC2)c1[O-] ZINC000527816538 322863697 /nfs/dbraw/zinc/86/36/97/322863697.db2.gz FGMDOMXJSCRHLY-UHFFFAOYSA-N 0 3 237.299 1.527 20 10 BDCDHN CN1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000297509533 173186678 /nfs/dbraw/zinc/18/66/78/173186678.db2.gz CLBFIDQYEITBBP-WDEREUQCSA-N 0 3 246.310 1.200 20 10 BDCDHN CN1C[C@H]([NH2+]Cc2ccccc2[O-])CCC1=O ZINC000077899904 173194684 /nfs/dbraw/zinc/19/46/84/173194684.db2.gz JIJXAVNNPXPKQT-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN CN1C[C@H]([NH2+][C@@H]2CCc3cccc([O-])c32)CC1=O ZINC000297509503 173195709 /nfs/dbraw/zinc/19/57/09/173195709.db2.gz CLBFIDQYEITBBP-GHMZBOCLSA-N 0 3 246.310 1.200 20 10 BDCDHN CNC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000133336605 173223733 /nfs/dbraw/zinc/22/37/33/173223733.db2.gz TUIZDRRJBSGMGS-UHFFFAOYSA-N 0 3 248.326 1.350 20 10 BDCDHN CNC(=O)[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000042561414 173303831 /nfs/dbraw/zinc/30/38/31/173303831.db2.gz UPCQXQGLOBJMJO-ZJUUUORDSA-N 0 3 236.315 1.486 20 10 BDCDHN COCCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000044656703 174200631 /nfs/dbraw/zinc/20/06/31/174200631.db2.gz GJGPETRMRGWWNE-UHFFFAOYSA-N 0 3 239.315 1.917 20 10 BDCDHN COCCC[NH2+]Cc1cccc(C)c1[O-] ZINC000083345876 174248126 /nfs/dbraw/zinc/24/81/26/174248126.db2.gz IZXWPZTXEWQNOA-UHFFFAOYSA-N 0 3 209.289 1.827 20 10 BDCDHN COCC[N@H+](C)Cc1cccc(C)c1[O-] ZINC000162808642 174280164 /nfs/dbraw/zinc/28/01/64/174280164.db2.gz NYLUMCACNIPGEX-UHFFFAOYSA-N 0 3 209.289 1.779 20 10 BDCDHN COCC[N@@H+](C)Cc1cccc(C)c1[O-] ZINC000162808642 174280166 /nfs/dbraw/zinc/28/01/66/174280166.db2.gz NYLUMCACNIPGEX-UHFFFAOYSA-N 0 3 209.289 1.779 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC000180634287 175158245 /nfs/dbraw/zinc/15/82/45/175158245.db2.gz IOLBFYOOOUCRDW-CYBMUJFWSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@](C)(O)C2)c1 ZINC000180634287 175158247 /nfs/dbraw/zinc/15/82/47/175158247.db2.gz IOLBFYOOOUCRDW-CYBMUJFWSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)CO)c1 ZINC000083215475 175158578 /nfs/dbraw/zinc/15/85/78/175158578.db2.gz LAIUGMKDMMIOLV-VIFPVBQESA-N 0 3 225.288 1.119 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042545252 175158723 /nfs/dbraw/zinc/15/87/23/175158723.db2.gz MOQWQIYSHSIMTC-LLVKDONJSA-N 0 3 236.315 1.195 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738330 175159190 /nfs/dbraw/zinc/15/91/90/175159190.db2.gz SIFKFWMOXHDSLH-JTQLQIEISA-N 0 3 237.299 1.527 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+]CCCO)c1 ZINC000020188109 175160473 /nfs/dbraw/zinc/16/04/73/175160473.db2.gz QSASMZUUAVLDHX-VIFPVBQESA-N 0 3 225.288 1.434 20 10 BDCDHN COc1cccc(C[N@H+](CCO)C(C)C)c1[O-] ZINC000271052211 175256754 /nfs/dbraw/zinc/25/67/54/175256754.db2.gz WTJJDIBZSMYWDX-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(C[N@@H+](CCO)C(C)C)c1[O-] ZINC000271052211 175256755 /nfs/dbraw/zinc/25/67/55/175256755.db2.gz WTJJDIBZSMYWDX-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(C[NH2+]CC2CC2)c1[O-] ZINC000019884820 175263080 /nfs/dbraw/zinc/26/30/80/175263080.db2.gz BRLWASJXJJXRDT-UHFFFAOYSA-N 0 3 207.273 1.900 20 10 BDCDHN COc1cccc(C[NH2+][C@@H](C)[C@@H](C)CO)c1[O-] ZINC000077421972 175265405 /nfs/dbraw/zinc/26/54/05/175265405.db2.gz YNSVVNCQDGCUAB-UWVGGRQHSA-N 0 3 239.315 1.507 20 10 BDCDHN C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000277915003 176344864 /nfs/dbraw/zinc/34/48/64/176344864.db2.gz PQNYJUPRZUSKRM-ZYHUDNBSSA-N 0 3 221.300 1.907 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC2COC2)c1 ZINC000529674020 324376337 /nfs/dbraw/zinc/37/63/37/324376337.db2.gz JMRWYUYEZZRCSF-UHFFFAOYSA-N 0 3 223.272 1.137 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccccc1[O-] ZINC000530218582 324535901 /nfs/dbraw/zinc/53/59/01/324535901.db2.gz CVRWBYJEPWMBMJ-GHMZBOCLSA-N 0 3 236.315 1.031 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000294728946 488025646 /nfs/dbraw/zinc/02/56/46/488025646.db2.gz BLYBOACRYWYIRB-PHIMTYICSA-N 0 3 207.273 1.314 20 10 BDCDHN C[NH+](C)CC1CN(C(=O)c2cc([O-])cs2)C1 ZINC000854722284 588804075 /nfs/dbraw/zinc/80/40/75/588804075.db2.gz RQJSRYHOQSQTJT-UHFFFAOYSA-N 0 3 240.328 1.087 20 10 BDCDHN C[NH+](C)CC(C)(C)NC(=O)c1cc([O-])cs1 ZINC000854903302 588816242 /nfs/dbraw/zinc/81/62/42/588816242.db2.gz XXGQFZZTSSMQLZ-UHFFFAOYSA-N 0 3 242.344 1.524 20 10 BDCDHN COc1ccc(C[NH2+]CCCF)c([O-])c1OC ZINC000893124291 583052904 /nfs/dbraw/zinc/05/29/04/583052904.db2.gz WBLOKQJSFZWKNC-UHFFFAOYSA-N 0 3 243.278 1.859 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@H]1CO ZINC000857061319 588884912 /nfs/dbraw/zinc/88/49/12/588884912.db2.gz OIGGLOUYIHGJDY-DGCLKSJQSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@H]1CO ZINC000857061319 588884913 /nfs/dbraw/zinc/88/49/13/588884913.db2.gz OIGGLOUYIHGJDY-DGCLKSJQSA-N 0 3 235.327 1.843 20 10 BDCDHN CO[C@@H](C)C[NH2+]Cc1ccc(C)cc1[O-] ZINC000877465309 583316171 /nfs/dbraw/zinc/31/61/71/583316171.db2.gz SWUAWPOBVKGJEA-JTQLQIEISA-N 0 3 209.289 1.825 20 10 BDCDHN COc1ccc(CN[C@@H](C)CF)c(O)c1OC ZINC000894600921 583491524 /nfs/dbraw/zinc/49/15/24/583491524.db2.gz NTWFTRQVUSFPBR-QMMMGPOBSA-N 0 3 243.278 1.857 20 10 BDCDHN CN(C)c1cc(F)c(CNCCCO)cc1F ZINC000858086366 588931037 /nfs/dbraw/zinc/93/10/37/588931037.db2.gz GXBPUGNALRRIFD-UHFFFAOYSA-N 0 3 244.285 1.503 20 10 BDCDHN C[C@H](CO)NCc1cc(F)c(N(C)C)cc1F ZINC000858106186 588933699 /nfs/dbraw/zinc/93/36/99/588933699.db2.gz GSJMQWDJHQYDDB-MRVPVSSYSA-N 0 3 244.285 1.501 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897357606 583936781 /nfs/dbraw/zinc/93/67/81/583936781.db2.gz LQXOQDXTKHKUFR-XYPYZODXSA-N 0 3 221.300 1.561 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897680530 584037803 /nfs/dbraw/zinc/03/78/03/584037803.db2.gz SGAMOMRIGLTCBV-MFKMUULPSA-N 0 3 235.327 1.767 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897680530 584037804 /nfs/dbraw/zinc/03/78/04/584037804.db2.gz SGAMOMRIGLTCBV-MFKMUULPSA-N 0 3 235.327 1.767 20 10 BDCDHN Cc1cc([O-])c(CN[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841045068 584122481 /nfs/dbraw/zinc/12/24/81/584122481.db2.gz NBFDBFHDSDZRFB-VIFPVBQESA-N 0 3 240.734 1.806 20 10 BDCDHN C[C@H](NC(=[NH2+])NCc1ccccc1[O-])C1CC1 ZINC000899266059 584189475 /nfs/dbraw/zinc/18/94/75/584189475.db2.gz PCVPSLMIBPOIBT-VIFPVBQESA-N 0 3 233.315 1.805 20 10 BDCDHN C[C@@H](NC(=[NH2+])NCc1ccccc1[O-])C1CC1 ZINC000899266058 584189765 /nfs/dbraw/zinc/18/97/65/584189765.db2.gz PCVPSLMIBPOIBT-SECBINFHSA-N 0 3 233.315 1.805 20 10 BDCDHN C[C@@H](N)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971847 584993533 /nfs/dbraw/zinc/99/35/33/584993533.db2.gz HTTHQUSQVAMYDZ-RNFRBKRXSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@@H]([NH3+])CN[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971847 584993534 /nfs/dbraw/zinc/99/35/34/584993534.db2.gz HTTHQUSQVAMYDZ-RNFRBKRXSA-N 0 3 230.258 1.668 20 10 BDCDHN Cc1cc(O)c(CN2CC(C)(CO)C2)cc1C ZINC000839145964 585092293 /nfs/dbraw/zinc/09/22/93/585092293.db2.gz XQKXTRNIMINFAJ-UHFFFAOYSA-N 0 3 235.327 1.823 20 10 BDCDHN Cc1cc(O)c(CN2CC(CCO)C2)cc1C ZINC000839140807 585094475 /nfs/dbraw/zinc/09/44/75/585094475.db2.gz QHRDFEOKFXYZSR-UHFFFAOYSA-N 0 3 235.327 1.823 20 10 BDCDHN Cc1cc([O-])c(C[NH+]2CC(CCO)C2)cc1C ZINC000839140807 585094476 /nfs/dbraw/zinc/09/44/76/585094476.db2.gz QHRDFEOKFXYZSR-UHFFFAOYSA-N 0 3 235.327 1.823 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCCNC2=O)c1[O-] ZINC000839196147 585098741 /nfs/dbraw/zinc/09/87/41/585098741.db2.gz SBGGEMQGCIFMSM-LBPRGKRZSA-N 0 3 248.326 1.316 20 10 BDCDHN C[C@@H](CC[NH+](C)C)NC(=O)c1cc([O-])cs1 ZINC000748362325 585191526 /nfs/dbraw/zinc/19/15/26/585191526.db2.gz FCEQSGCLMOHSHS-QMMMGPOBSA-N 0 3 242.344 1.524 20 10 BDCDHN Cc1cccc(C[N@@H+](C)C2CC(O)C2)c1[O-] ZINC000761223838 585412359 /nfs/dbraw/zinc/41/23/59/585412359.db2.gz SIRIJEDPBUMKIJ-UHFFFAOYSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc(C[N@H+](C)C2CC(O)C2)c1[O-] ZINC000761223838 585412360 /nfs/dbraw/zinc/41/23/60/585412360.db2.gz SIRIJEDPBUMKIJ-UHFFFAOYSA-N 0 3 221.300 1.656 20 10 BDCDHN COc1cccc([O-])c1CN1CC[NH2+][C@H](C)C1 ZINC000768140884 585532588 /nfs/dbraw/zinc/53/25/88/585532588.db2.gz YKGZKFXRWJJFKI-SNVBAGLBSA-N 0 3 236.315 1.195 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)CC(C)(C)O ZINC000769425831 585555874 /nfs/dbraw/zinc/55/58/74/585555874.db2.gz XAIFPWPKALYMKJ-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)CC(C)(C)O ZINC000769425831 585555875 /nfs/dbraw/zinc/55/58/75/585555875.db2.gz XAIFPWPKALYMKJ-UHFFFAOYSA-N 0 3 239.315 1.604 20 10 BDCDHN CCN(C)c1ccc(CN2CC[C@H](O)C2)cc1 ZINC000773749407 585643138 /nfs/dbraw/zinc/64/31/38/585643138.db2.gz VWPBXWLZVZHJQJ-AWEZNQCLSA-N 0 3 234.343 1.709 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCC(C)(C)O ZINC000775368598 585676395 /nfs/dbraw/zinc/67/63/95/585676395.db2.gz JUFWRYHIBMFNGW-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@H](O)CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000776521537 585699982 /nfs/dbraw/zinc/69/99/82/585699982.db2.gz SAKXSUDSCYASGQ-JTQLQIEISA-N 0 3 240.322 1.704 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+](CCCO)C1CC1 ZINC000779021726 585744334 /nfs/dbraw/zinc/74/43/34/585744334.db2.gz YGJLRBZXJHPASQ-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+](CCCO)C1CC1 ZINC000779021726 585744335 /nfs/dbraw/zinc/74/43/35/585744335.db2.gz YGJLRBZXJHPASQ-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN CCOCCN(C)Cc1c(O)cccc1OC ZINC000779598467 585756708 /nfs/dbraw/zinc/75/67/08/585756708.db2.gz JMUSCGMVFALFGA-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CCN(CC)CCSCC(=O)C(C)=O ZINC000808023846 586459583 /nfs/dbraw/zinc/45/95/83/586459583.db2.gz ANVZWWIKUGLRIT-UHFFFAOYSA-N 0 3 217.334 1.220 20 10 BDCDHN C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H](C)O ZINC000808425216 586472428 /nfs/dbraw/zinc/47/24/28/586472428.db2.gz QRBFPLJEVZLJFJ-ZJUUUORDSA-N 0 3 240.322 1.751 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H](O)C1CC1 ZINC000809750929 586517285 /nfs/dbraw/zinc/51/72/85/586517285.db2.gz CAMILIZLYVBQHG-ZDUSSCGKSA-N 0 3 221.300 1.595 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H](O)C1CC1 ZINC000809750929 586517286 /nfs/dbraw/zinc/51/72/86/586517286.db2.gz CAMILIZLYVBQHG-ZDUSSCGKSA-N 0 3 221.300 1.595 20 10 BDCDHN CC[C@@H]1CN(C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000816660764 586752595 /nfs/dbraw/zinc/75/25/95/586752595.db2.gz OMPUITCXWNTFCO-CYBMUJFWSA-N 0 3 234.343 1.918 20 10 BDCDHN CC[C@@H]1CN(C)CC[N@H+]1Cc1ccccc1[O-] ZINC000816660764 586752596 /nfs/dbraw/zinc/75/25/96/586752596.db2.gz OMPUITCXWNTFCO-CYBMUJFWSA-N 0 3 234.343 1.918 20 10 BDCDHN C[C@@H]1C[C@H](CO)C[N@H+](Cc2ccccc2[O-])C1 ZINC000817412728 586801907 /nfs/dbraw/zinc/80/19/07/586801907.db2.gz ONBBIHFUUTWYID-NEPJUHHUSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2ccccc2[O-])C1 ZINC000817412728 586801908 /nfs/dbraw/zinc/80/19/08/586801908.db2.gz ONBBIHFUUTWYID-NEPJUHHUSA-N 0 3 235.327 1.843 20 10 BDCDHN CNCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817953200 586846647 /nfs/dbraw/zinc/84/66/47/586846647.db2.gz WWQAKSGXIQXFOQ-ZETCQYMHSA-N 0 3 230.258 1.540 20 10 BDCDHN C[NH2+]CCN[C@H]1C[C@H](C)c2c1c([O-])ccc2F ZINC000817952596 586848074 /nfs/dbraw/zinc/84/80/74/586848074.db2.gz RULDXIWTMGXGDA-WPRPVWTQSA-N 0 3 238.306 1.889 20 10 BDCDHN C[C@H]([NH2+][C@H](CN)C1CC1)c1ccc(F)cc1[O-] ZINC000817961265 586852465 /nfs/dbraw/zinc/85/24/65/586852465.db2.gz VZZJHPDNXHVHIR-QPUJVOFHSA-N 0 3 238.306 1.919 20 10 BDCDHN C[C@H](CN)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817962950 586852955 /nfs/dbraw/zinc/85/29/55/586852955.db2.gz PSQFSFXASMLSHY-BDAKNGLRSA-N 0 3 226.295 1.777 20 10 BDCDHN C[C@H](CN)[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965828 586854746 /nfs/dbraw/zinc/85/47/46/586854746.db2.gz CPRHXCGBDGRQNH-RNFRBKRXSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@H](C[NH3+])N[C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965828 586854747 /nfs/dbraw/zinc/85/47/47/586854747.db2.gz CPRHXCGBDGRQNH-RNFRBKRXSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@H](CN)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965829 586855639 /nfs/dbraw/zinc/85/56/39/586855639.db2.gz CPRHXCGBDGRQNH-RQJHMYQMSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@H](C[NH3+])N[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817965829 586855641 /nfs/dbraw/zinc/85/56/41/586855641.db2.gz CPRHXCGBDGRQNH-RQJHMYQMSA-N 0 3 230.258 1.668 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN)c([O-])c1 ZINC000817970078 586855973 /nfs/dbraw/zinc/85/59/73/586855973.db2.gz KXZSUOZHJSOMTJ-VHSXEESVSA-N 0 3 208.305 1.698 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])[C@H](C)N ZINC000817978194 586861669 /nfs/dbraw/zinc/86/16/69/586861669.db2.gz YGOVDJQJUIHOOZ-AEJSXWLSSA-N 0 3 208.305 1.779 20 10 BDCDHN CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2O)c([O-])c1 ZINC000818231933 586880890 /nfs/dbraw/zinc/88/08/90/586880890.db2.gz XKIMGWYJBFGXTN-VXGBXAGGSA-N 0 3 237.299 1.404 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000824892879 587292141 /nfs/dbraw/zinc/29/21/41/587292141.db2.gz DNFWGVYJBKGGTL-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000824892879 587292143 /nfs/dbraw/zinc/29/21/43/587292143.db2.gz DNFWGVYJBKGGTL-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN CCc1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827291469 587375465 /nfs/dbraw/zinc/37/54/65/587375465.db2.gz LJTKQBSCILSQOY-DZGCQCFKSA-N 0 3 247.338 1.911 20 10 BDCDHN CCc1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827291469 587375466 /nfs/dbraw/zinc/37/54/66/587375466.db2.gz LJTKQBSCILSQOY-DZGCQCFKSA-N 0 3 247.338 1.911 20 10 BDCDHN CCc1cccc(C[NH2+]C2([C@H](C)O)CC2)c1[O-] ZINC000827585511 587390440 /nfs/dbraw/zinc/39/04/40/587390440.db2.gz KOBHSTOCOLOSOM-JTQLQIEISA-N 0 3 235.327 1.958 20 10 BDCDHN CCc1cccc(C[N@H+](C)C2(CO)CC2)c1[O-] ZINC000827898236 587408373 /nfs/dbraw/zinc/40/83/73/587408373.db2.gz IABOWNREQHSFHU-UHFFFAOYSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@@H+](C)C2(CO)CC2)c1[O-] ZINC000827898236 587408374 /nfs/dbraw/zinc/40/83/74/587408374.db2.gz IABOWNREQHSFHU-UHFFFAOYSA-N 0 3 235.327 1.911 20 10 BDCDHN CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000840958743 587932552 /nfs/dbraw/zinc/93/25/52/587932552.db2.gz UKOFZNOOHIXRRG-GFCCVEGCSA-N 0 3 248.326 1.302 20 10 BDCDHN CN(C)C(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000840958743 587932553 /nfs/dbraw/zinc/93/25/53/587932553.db2.gz UKOFZNOOHIXRRG-GFCCVEGCSA-N 0 3 248.326 1.302 20 10 BDCDHN C[NH2+]CCNCc1cc(Cl)cc(C)c1[O-] ZINC000841037263 587934621 /nfs/dbraw/zinc/93/46/21/587934621.db2.gz VFEMRXFYTZDKPZ-UHFFFAOYSA-N 0 3 228.723 1.663 20 10 BDCDHN CC[NH2+]CCNCc1cccc(Cl)c1[O-] ZINC000841037711 587937770 /nfs/dbraw/zinc/93/77/70/587937770.db2.gz TVWQEHQAWAQBPN-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN CCNCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841037711 587937771 /nfs/dbraw/zinc/93/77/71/587937771.db2.gz TVWQEHQAWAQBPN-UHFFFAOYSA-N 0 3 228.723 1.745 20 10 BDCDHN C[C@H]1C[C@H](NCc2cccc(F)c2[O-])CC[NH2+]1 ZINC000841061164 587941346 /nfs/dbraw/zinc/94/13/46/587941346.db2.gz FRFTWNBXPGAIAV-GXSJLCMTSA-N 0 3 238.306 1.761 20 10 BDCDHN CC[C@H]([NH3+])CNCc1c([O-])cccc1Cl ZINC000841071335 587942460 /nfs/dbraw/zinc/94/24/60/587942460.db2.gz DECIXAQDMAQPMS-QMMMGPOBSA-N 0 3 228.723 1.873 20 10 BDCDHN CC[C@H](N)C[NH2+]Cc1c([O-])cccc1Cl ZINC000841071335 587942462 /nfs/dbraw/zinc/94/24/62/587942462.db2.gz DECIXAQDMAQPMS-QMMMGPOBSA-N 0 3 228.723 1.873 20 10 BDCDHN C[C@@H](CN)[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841067425 587942609 /nfs/dbraw/zinc/94/26/09/587942609.db2.gz YIIGYDIVIJJGJH-LURJTMIESA-N 0 3 232.686 1.622 20 10 BDCDHN C[C@H](N)[C@H](C)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841080735 587943006 /nfs/dbraw/zinc/94/30/06/587943006.db2.gz QFVUSOVYXAYLSC-YUMQZZPRSA-N 0 3 228.723 1.871 20 10 BDCDHN C[C@@H]([NH2+]Cc1cc(Cl)ccc1[O-])[C@H](C)N ZINC000841080723 587943064 /nfs/dbraw/zinc/94/30/64/587943064.db2.gz QFVUSOVYXAYLSC-JGVFFNPUSA-N 0 3 228.723 1.871 20 10 BDCDHN CC(C)(C)[C@@H](CN)[NH2+]Cc1cccc(F)c1[O-] ZINC000841087665 587945981 /nfs/dbraw/zinc/94/59/81/587945981.db2.gz POTLGYODQJDGJN-LLVKDONJSA-N 0 3 240.322 1.994 20 10 BDCDHN CCOc1ccc(CN(C)CC[NH3+])c([O-])c1 ZINC000841099894 587946270 /nfs/dbraw/zinc/94/62/70/587946270.db2.gz QDHOFDDYZKIXGL-UHFFFAOYSA-N 0 3 224.304 1.181 20 10 BDCDHN CC1(C)CCCN[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000841846774 587977440 /nfs/dbraw/zinc/97/74/40/587977440.db2.gz UGUYVZVNEBGULT-LBPRGKRZSA-N 0 3 247.342 1.986 20 10 BDCDHN CC(=O)c1cc(F)cc(CN(C)CC[NH3+])c1[O-] ZINC000842479481 588029913 /nfs/dbraw/zinc/02/99/13/588029913.db2.gz UTIARWBCNAFOJH-UHFFFAOYSA-N 0 3 240.278 1.124 20 10 BDCDHN C[C@H](CCO)[N@H+](C)Cc1ccccc1[O-] ZINC000846110947 588257273 /nfs/dbraw/zinc/25/72/73/588257273.db2.gz LNVLAFAKOHTMKA-SNVBAGLBSA-N 0 3 209.289 1.595 20 10 BDCDHN C[C@H](CCO)[N@@H+](C)Cc1ccccc1[O-] ZINC000846110947 588257274 /nfs/dbraw/zinc/25/72/74/588257274.db2.gz LNVLAFAKOHTMKA-SNVBAGLBSA-N 0 3 209.289 1.595 20 10 BDCDHN COCC[NH2+][C@H](C)c1cccc(OC)c1[O-] ZINC000846135645 588258452 /nfs/dbraw/zinc/25/84/52/588258452.db2.gz FIRJHWQHXVWSNS-SECBINFHSA-N 0 3 225.288 1.698 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1[O-] ZINC000846189516 588259583 /nfs/dbraw/zinc/25/95/83/588259583.db2.gz MAFRFUJZWHDJAO-LPEHRKFASA-N 0 3 234.299 1.307 20 10 BDCDHN C[C@@H]([NH2+][C@H](CO)CCF)c1ccccc1[O-] ZINC000846207677 588259795 /nfs/dbraw/zinc/25/97/95/588259795.db2.gz BCJSORLFVRDVDB-ZJUUUORDSA-N 0 3 227.279 1.763 20 10 BDCDHN C[C@H]1C[C@H]([NH3+])CCN1Cc1cccc(F)c1[O-] ZINC000846701857 588283881 /nfs/dbraw/zinc/28/38/81/588283881.db2.gz DUANCMORAXKYFR-GXSJLCMTSA-N 0 3 238.306 1.843 20 10 BDCDHN [NH3+]C[C@@H](NCc1ccccc1[O-])C(F)(F)F ZINC000848716374 588408126 /nfs/dbraw/zinc/40/81/26/588408126.db2.gz XJVBGLZNTFNKAE-SECBINFHSA-N 0 3 234.221 1.371 20 10 BDCDHN COc1ccc(CNC(=[NH2+])NC2CC2)c([O-])c1 ZINC000849025130 588440233 /nfs/dbraw/zinc/44/02/33/588440233.db2.gz OPTUKCXXHLXMPV-UHFFFAOYSA-N 0 3 235.287 1.177 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c([O-])c1 ZINC000850577889 588561159 /nfs/dbraw/zinc/56/11/59/588561159.db2.gz DYLBHEQSEROZOG-DCAQKATOSA-N 0 3 221.300 1.875 20 10 BDCDHN NC(=O)C[N@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000109797460 588593342 /nfs/dbraw/zinc/59/33/42/588593342.db2.gz RGCKAQKDIIHDEY-UHFFFAOYSA-N 0 3 248.326 1.622 20 10 BDCDHN NC(=O)C[N@@H+](Cc1ccccc1[O-])C1CCCC1 ZINC000109797460 588593343 /nfs/dbraw/zinc/59/33/43/588593343.db2.gz RGCKAQKDIIHDEY-UHFFFAOYSA-N 0 3 248.326 1.622 20 10 BDCDHN CC[C@@H](C)[N@H+](CCO)Cc1ccccc1[O-] ZINC000862386734 589206056 /nfs/dbraw/zinc/20/60/56/589206056.db2.gz BBNILDCQPWUILM-LLVKDONJSA-N 0 3 223.316 1.985 20 10 BDCDHN CC[C@@H](C)[N@@H+](CCO)Cc1ccccc1[O-] ZINC000862386734 589206057 /nfs/dbraw/zinc/20/60/57/589206057.db2.gz BBNILDCQPWUILM-LLVKDONJSA-N 0 3 223.316 1.985 20 10 BDCDHN C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1[O-] ZINC000863547709 589298405 /nfs/dbraw/zinc/29/84/05/589298405.db2.gz WBRJBFLVGWUPCA-JBLDHEPKSA-N 0 3 220.316 1.793 20 10 BDCDHN C[C@H]([NH3+])CN(C)Cc1cccc(F)c1[O-] ZINC000863652890 589307809 /nfs/dbraw/zinc/30/78/09/589307809.db2.gz XYPWNIQCKLHGEQ-QMMMGPOBSA-N 0 3 212.268 1.310 20 10 BDCDHN C[C@H](N)C[N@H+](C)Cc1cccc(F)c1[O-] ZINC000863652890 589307810 /nfs/dbraw/zinc/30/78/10/589307810.db2.gz XYPWNIQCKLHGEQ-QMMMGPOBSA-N 0 3 212.268 1.310 20 10 BDCDHN C[C@H](N)C[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000863652890 589307812 /nfs/dbraw/zinc/30/78/12/589307812.db2.gz XYPWNIQCKLHGEQ-QMMMGPOBSA-N 0 3 212.268 1.310 20 10 BDCDHN CN(CC(=O)NCc1ccccc1O)C1CCC1 ZINC000863863634 589323923 /nfs/dbraw/zinc/32/39/23/589323923.db2.gz YUMIIDOOWSLAHH-UHFFFAOYSA-N 0 3 248.326 1.493 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])C(C)(C)O ZINC000122089826 589553889 /nfs/dbraw/zinc/55/38/89/589553889.db2.gz LWIQRJVCTPHOIV-SECBINFHSA-N 0 3 209.289 1.641 20 10 BDCDHN C[C@H](NC1CC1)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988615 589707045 /nfs/dbraw/zinc/70/70/45/589707045.db2.gz VATPWBINCHFODC-UWVGGRQHSA-N 0 3 248.326 1.710 20 10 BDCDHN CC[S@](=O)CC[NH2+]Cc1ccccc1[O-] ZINC000123680606 589769493 /nfs/dbraw/zinc/76/94/93/589769493.db2.gz MINWTAQVDORXTB-OAHLLOKOSA-N 0 3 227.329 1.250 20 10 BDCDHN CNC(=O)[C@@H]1CCCN1Cc1cccc(C)c1O ZINC000124557574 590050782 /nfs/dbraw/zinc/05/07/82/590050782.db2.gz KTGPYCBWHAXBNH-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN OCCNCc1ccc(N2CCCCC2)cc1 ZINC000020305941 590097094 /nfs/dbraw/zinc/09/70/94/590097094.db2.gz SZRPTYUCPCOOJU-UHFFFAOYSA-N 0 3 234.343 1.759 20 10 BDCDHN CC(C)CC[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000876504066 590203978 /nfs/dbraw/zinc/20/39/78/590203978.db2.gz ITHRCOVQVQZMKI-LBPRGKRZSA-N 0 3 235.331 1.971 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@H](O)C1 ZINC000876528376 590208974 /nfs/dbraw/zinc/20/89/74/590208974.db2.gz WHCNWVDMYNRHMO-NSHDSACASA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@H](O)C1 ZINC000876528376 590208976 /nfs/dbraw/zinc/20/89/76/590208976.db2.gz WHCNWVDMYNRHMO-NSHDSACASA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(CN2CCN(C3CC3)CC2)c(O)c1 ZINC000876566920 590217141 /nfs/dbraw/zinc/21/71/41/590217141.db2.gz XHIWDFKWFWBTIJ-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](O)C2)c([O-])c1 ZINC000876589804 590219236 /nfs/dbraw/zinc/21/92/36/590219236.db2.gz PEGNFHSLERUCNX-NSHDSACASA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](O)C2)c([O-])c1 ZINC000876589804 590219237 /nfs/dbraw/zinc/21/92/37/590219237.db2.gz PEGNFHSLERUCNX-NSHDSACASA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H](CO)C1 ZINC000876660527 590227217 /nfs/dbraw/zinc/22/72/17/590227217.db2.gz UVSHJKDLXDFSOZ-NSHDSACASA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H](CO)C1 ZINC000876660527 590227219 /nfs/dbraw/zinc/22/72/19/590227219.db2.gz UVSHJKDLXDFSOZ-NSHDSACASA-N 0 3 221.300 1.515 20 10 BDCDHN CC[S@](=O)CC[NH2+]Cc1c(C)cccc1[O-] ZINC000877041117 590273473 /nfs/dbraw/zinc/27/34/73/590273473.db2.gz IDTAISBXGWEIRS-INIZCTEOSA-N 0 3 241.356 1.559 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)c([O-])c1 ZINC000877080478 590279761 /nfs/dbraw/zinc/27/97/61/590279761.db2.gz QZXBBVFCKKVZDF-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN C[C@H](NC(=O)C1(N)CCCC1)c1ccccc1O ZINC000877255465 590304427 /nfs/dbraw/zinc/30/44/27/590304427.db2.gz DSGNVDJKVALNNE-JTQLQIEISA-N 0 3 248.326 1.841 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1(CO)CCC1 ZINC000877315390 590312818 /nfs/dbraw/zinc/31/28/18/590312818.db2.gz HETRYXYKFGSHNN-UHFFFAOYSA-N 0 3 235.327 1.953 20 10 BDCDHN Cc1ccc(C[N@@H+](C)[C@H](C)CO)c([O-])c1 ZINC000877525823 590347431 /nfs/dbraw/zinc/34/74/31/590347431.db2.gz COZVQYJSKMLKPW-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc(C[N@H+](C)[C@H](C)CO)c([O-])c1 ZINC000877525823 590347432 /nfs/dbraw/zinc/34/74/32/590347432.db2.gz COZVQYJSKMLKPW-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000877527729 590349471 /nfs/dbraw/zinc/34/94/71/590349471.db2.gz OFYHAAKNGPOFOY-CQSZACIVSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000877527729 590349474 /nfs/dbraw/zinc/34/94/74/590349474.db2.gz OFYHAAKNGPOFOY-CQSZACIVSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(CN2CCNC(=O)C[C@@H]2C)c(O)c1 ZINC000877532958 590350212 /nfs/dbraw/zinc/35/02/12/590350212.db2.gz XRMMGXKMOHVEOX-NSHDSACASA-N 0 3 248.326 1.411 20 10 BDCDHN CC[C@H]([NH2+]Cc1c(C)cccc1[O-])[C@H](C)O ZINC000877569077 590362156 /nfs/dbraw/zinc/36/21/56/590362156.db2.gz ZJOJPWFWQPXVHP-JQWIXIFHSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](O)C1CCC1 ZINC000877574920 590363059 /nfs/dbraw/zinc/36/30/59/590363059.db2.gz ZMKGKVRGRQRHDM-AWEZNQCLSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[NH+]1CC(CCO)C1 ZINC000877580043 590364748 /nfs/dbraw/zinc/36/47/48/590364748.db2.gz FLMATIWDHGSIDU-UHFFFAOYSA-N 0 3 221.300 1.515 20 10 BDCDHN CNC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000877596599 590370429 /nfs/dbraw/zinc/37/04/29/590370429.db2.gz UWENRDFQRUHZST-LLVKDONJSA-N 0 3 248.326 1.269 20 10 BDCDHN CNC(=O)[C@@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000877596599 590370431 /nfs/dbraw/zinc/37/04/31/590370431.db2.gz UWENRDFQRUHZST-LLVKDONJSA-N 0 3 248.326 1.269 20 10 BDCDHN COC(=O)CC1([NH2+]Cc2ccc(C)cc2[O-])CC1 ZINC000877611771 590372835 /nfs/dbraw/zinc/37/28/35/590372835.db2.gz ZOXNGFISXWWFIU-UHFFFAOYSA-N 0 3 249.310 1.886 20 10 BDCDHN C[C@@H]1CCN[C@H](C(=O)NCc2ccccc2O)C1 ZINC000127714218 590758510 /nfs/dbraw/zinc/75/85/10/590758510.db2.gz SGBABAVXEMQNQV-PWSUYJOCSA-N 0 3 248.326 1.397 20 10 BDCDHN CC(C)C[C@@H](N)C(=O)Nc1ccc(N)cc1 ZINC000213967572 591523904 /nfs/dbraw/zinc/52/39/04/591523904.db2.gz UTEQTJKBUJFORV-LLVKDONJSA-N 0 3 221.304 1.581 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2O)c1[O-] ZINC000133259033 591780937 /nfs/dbraw/zinc/78/09/37/591780937.db2.gz FJFPAGHGHYRMLF-RYUDHWBXSA-N 0 3 221.300 1.704 20 10 BDCDHN CN(C(=O)[C@H](N)CC1CC1)c1ccc(N)cc1 ZINC000884441711 591935959 /nfs/dbraw/zinc/93/59/59/591935959.db2.gz NTQJKQHYQLGFTL-GFCCVEGCSA-N 0 3 233.315 1.359 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@](C)(O)C(F)F ZINC000886064866 592142150 /nfs/dbraw/zinc/14/21/50/592142150.db2.gz KDPAYUFCLGENJN-LBPRGKRZSA-N 0 3 245.269 1.840 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@](C)(O)C(F)F ZINC000886064866 592142152 /nfs/dbraw/zinc/14/21/52/592142152.db2.gz KDPAYUFCLGENJN-LBPRGKRZSA-N 0 3 245.269 1.840 20 10 BDCDHN CN(Cc1cc(F)ccc1[O-])[C@H]1CC[NH2+]C1 ZINC000220108394 592278142 /nfs/dbraw/zinc/27/81/42/592278142.db2.gz QWQIWMUGIGGBNM-NSHDSACASA-N 0 3 224.279 1.325 20 10 BDCDHN C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1[NH3+] ZINC000300047733 592501132 /nfs/dbraw/zinc/50/11/32/592501132.db2.gz FJIKTTBFKNAXJO-LDYMZIIASA-N 0 3 240.734 1.825 20 10 BDCDHN C[C@@H]1CN(Cc2cc(F)ccc2[O-])[C@H](C)C[NH2+]1 ZINC000300434970 592512769 /nfs/dbraw/zinc/51/27/69/592512769.db2.gz DNWZVPBYUJOPDC-NXEZZACHSA-N 0 3 238.306 1.714 20 10 BDCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CNOC2)c1 ZINC000925868610 635576802 /nfs/dbraw/zinc/57/68/02/635576802.db2.gz FERXRQJSJVBEGO-UWVGGRQHSA-N 0 3 222.288 1.255 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]1CO ZINC000249148792 635689347 /nfs/dbraw/zinc/68/93/47/635689347.db2.gz ZVPANAHJGCLZTH-JQWIXIFHSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]1CO ZINC000249148792 635689353 /nfs/dbraw/zinc/68/93/53/635689353.db2.gz ZVPANAHJGCLZTH-JQWIXIFHSA-N 0 3 221.300 1.595 20 10 BDCDHN Cc1cc(CN2CC[C@H]2CO)ccc1N(C)C ZINC000934019358 631616061 /nfs/dbraw/zinc/61/60/61/631616061.db2.gz PLOSJVAVOXURCI-ZDUSSCGKSA-N 0 3 234.343 1.628 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)CC1CC1 ZINC000309560740 632534364 /nfs/dbraw/zinc/53/43/64/632534364.db2.gz JEEQCYZKOAQYOJ-LBPRGKRZSA-N 0 3 221.300 1.643 20 10 BDCDHN Cc1c[nH]nc1CNCc1ccccc1O ZINC000309419771 633046553 /nfs/dbraw/zinc/04/65/53/633046553.db2.gz AIQWGUNJKFXZIB-UHFFFAOYSA-N 0 3 217.272 1.714 20 10 BDCDHN CCNC(=O)[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000035134262 636855117 /nfs/dbraw/zinc/85/51/17/636855117.db2.gz HOGDKJPXXKWUCV-NSHDSACASA-N 0 3 249.358 1.367 20 10 BDCDHN CON1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000323122723 636901278 /nfs/dbraw/zinc/90/12/78/636901278.db2.gz LZBHQNGBUWTWCE-UHFFFAOYSA-N 0 3 236.315 1.508 20 10 BDCDHN CC1(C)C[NH2+]C[C@H]1NCc1cc(F)ccc1[O-] ZINC000904462701 637407115 /nfs/dbraw/zinc/40/71/15/637407115.db2.gz RBJGJSIRSIRTHR-GFCCVEGCSA-N 0 3 238.306 1.619 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCO2)c([O-])c1 ZINC000083351375 640681989 /nfs/dbraw/zinc/68/19/89/640681989.db2.gz VWPMPZYUZZIETO-LBPRGKRZSA-N 0 3 221.300 1.969 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C1(CO)CCCC1 ZINC000226620213 640780186 /nfs/dbraw/zinc/78/01/86/640780186.db2.gz SGPOIJBNDLAFFU-UHFFFAOYSA-N 0 3 239.290 1.926 20 10 BDCDHN COc1ccc(C[NH2+]C2CC(OC)C2)c([O-])c1 ZINC000230688891 641086888 /nfs/dbraw/zinc/08/68/88/641086888.db2.gz CTVLNVQTLOYIPG-UHFFFAOYSA-N 0 3 237.299 1.668 20 10 BDCDHN CSCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226582633 641600459 /nfs/dbraw/zinc/60/04/59/641600459.db2.gz SSLKTNYTTDTHDT-UHFFFAOYSA-N 0 3 215.293 1.984 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC000190067260 641832302 /nfs/dbraw/zinc/83/23/02/641832302.db2.gz GNGPUJGEVDVCBG-SKDRFNHKSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])CC[C@@H]1O ZINC000190067260 641832307 /nfs/dbraw/zinc/83/23/07/641832307.db2.gz GNGPUJGEVDVCBG-SKDRFNHKSA-N 0 3 239.290 1.734 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])CC1CC(O)C1 ZINC000191164283 641904557 /nfs/dbraw/zinc/90/45/57/641904557.db2.gz FHTSAFFATJAPKS-UHFFFAOYSA-N 0 3 239.290 1.734 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])CC1CC(O)C1 ZINC000191164283 641904561 /nfs/dbraw/zinc/90/45/61/641904561.db2.gz FHTSAFFATJAPKS-UHFFFAOYSA-N 0 3 239.290 1.734 20 10 BDCDHN CCN1CCN(c2ccc(OC)cc2)CC1 ZINC000070948096 643086952 /nfs/dbraw/zinc/08/69/52/643086952.db2.gz RPPGCNGCGZNPPL-UHFFFAOYSA-N 0 3 220.316 1.837 20 10 BDCDHN COC[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000083347410 643437837 /nfs/dbraw/zinc/43/78/37/643437837.db2.gz NITISNNUIRCJJV-QMMMGPOBSA-N 0 3 213.252 1.656 20 10 BDCDHN OC/C=C\CNCc1ccc2c(c1)CCCO2 ZINC000922240085 643916205 /nfs/dbraw/zinc/91/62/05/643916205.db2.gz MWUMQXOCOCAZMR-UPHRSURJSA-N 0 3 233.311 1.650 20 10 BDCDHN Cc1cc(CC[NH2+]Cc2ccccc2[O-])nn1C ZINC000922689252 644068529 /nfs/dbraw/zinc/06/85/29/644068529.db2.gz CUQRUUMAHCHYSD-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000079926271 644216885 /nfs/dbraw/zinc/21/68/85/644216885.db2.gz DTOOHDBWWZTLGN-QWRGUYRKSA-N 0 3 248.326 1.630 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000782977467 644748913 /nfs/dbraw/zinc/74/89/13/644748913.db2.gz FXFSVXNQGGFYMZ-VHSXEESVSA-N 0 3 239.315 1.650 20 10 BDCDHN N[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000818431507 644996706 /nfs/dbraw/zinc/99/67/06/644996706.db2.gz OUINTLFLLVMSDX-VXGBXAGGSA-N 0 3 238.306 1.891 20 10 BDCDHN C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000926984190 645506897 /nfs/dbraw/zinc/50/68/97/645506897.db2.gz DULLJUICYDUKEE-QWRGUYRKSA-N 0 3 248.326 1.569 20 10 BDCDHN Cc1ccc([C@H](C)N[C@H]2CNOC2)c(O)c1C ZINC000925868573 646519919 /nfs/dbraw/zinc/51/99/19/646519919.db2.gz DCHJCSIXERGAJR-QWRGUYRKSA-N 0 3 236.315 1.563 20 10 BDCDHN COCC(COC)[NH2+]Cc1cc(F)ccc1[O-] ZINC000388483043 711884251 /nfs/dbraw/zinc/88/42/51/711884251.db2.gz WMYFBLCCZUWNFA-UHFFFAOYSA-N 0 3 243.278 1.282 20 10 BDCDHN C[C@@H]([NH2+]CC1(CO)COC1)c1ccccc1[O-] ZINC000717647174 712663394 /nfs/dbraw/zinc/66/33/94/712663394.db2.gz DGZIAWUUSODKAQ-SNVBAGLBSA-N 0 3 237.299 1.052 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1(O)CCC1)CC2 ZINC000383723277 710883106 /nfs/dbraw/zinc/88/31/06/710883106.db2.gz YTVJJMFAIBYCKJ-LLVKDONJSA-N 0 3 233.311 1.884 20 10 BDCDHN COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000382548961 710973638 /nfs/dbraw/zinc/97/36/38/710973638.db2.gz GWHJOWAVEJKDJA-GWCFXTLKSA-N 0 3 239.315 1.440 20 10 BDCDHN Cc1cccc(CNCc2cn[nH]n2)c1O ZINC000398302746 711406307 /nfs/dbraw/zinc/40/63/07/711406307.db2.gz NKCKIXIHQGTRFK-UHFFFAOYSA-N 0 3 218.260 1.109 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCNC(=O)CC1)c1ccccc1[O-] ZINC000396670724 711364369 /nfs/dbraw/zinc/36/43/69/711364369.db2.gz YNNYPGLOUXRISB-QWRGUYRKSA-N 0 3 248.326 1.712 20 10 BDCDHN C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccccc1[O-] ZINC000038005877 712798899 /nfs/dbraw/zinc/79/88/99/712798899.db2.gz UJTFVCYXRNMADA-SECBINFHSA-N 0 3 217.272 1.966 20 10 BDCDHN C[C@]1([NH3+])CCN(Cc2c([O-])cccc2Cl)C1 ZINC000405851714 971316789 /nfs/dbraw/zinc/31/67/89/971316789.db2.gz YFVUUPGMMRQDER-LBPRGKRZSA-N 0 3 240.734 1.969 20 10 BDCDHN Cc1cc(C)c(CNC(=O)C2(N)CC2)c(O)c1 ZINC001220825456 972263124 /nfs/dbraw/zinc/26/31/24/972263124.db2.gz IFFYSOIISYRGKJ-UHFFFAOYSA-N 0 3 234.299 1.117 20 10 BDCDHN CC1(C)C[C@H](NCc2ccc(O)c(O)c2)CO1 ZINC000396598126 960380666 /nfs/dbraw/zinc/38/06/66/960380666.db2.gz OZBNSOKQQAUJJE-JTQLQIEISA-N 0 3 237.299 1.755 20 10 BDCDHN COC[C@@H]1CCN1Cc1ccc(O)c(C)c1O ZINC001140750981 960554598 /nfs/dbraw/zinc/55/45/98/960554598.db2.gz FSFPOKNLQWGYSK-NSHDSACASA-N 0 3 237.299 1.627 20 10 BDCDHN [O-]c1c(O)cccc1C[NH2+][C@H]1C[C@H]2C[C@H]2C1 ZINC001167911017 961817092 /nfs/dbraw/zinc/81/70/92/961817092.db2.gz ZEKBJIKFOOIGPQ-URLYPYJESA-N 0 3 219.284 1.986 20 10 BDCDHN C[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000699745852 966062332 /nfs/dbraw/zinc/06/23/32/966062332.db2.gz UQIKLMXBKNDMST-LDYMZIIASA-N 0 3 225.263 1.656 20 10 BDCDHN CCc1cccc(CNCc2ccnn2C)c1O ZINC000691445152 966154397 /nfs/dbraw/zinc/15/43/97/966154397.db2.gz LJBTYJVSBCTTKX-UHFFFAOYSA-N 0 3 245.326 1.978 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236281904 966328142 /nfs/dbraw/zinc/32/81/42/966328142.db2.gz CCKPTLFBOOBPMJ-ONGXEEELSA-N 0 3 238.718 1.449 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])C[C@@]1(C)O ZINC001203550087 966679851 /nfs/dbraw/zinc/67/98/51/966679851.db2.gz HFOCLSFMOCGTNS-BXUZGUMPSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@@]1(C)O ZINC001203550087 966679864 /nfs/dbraw/zinc/67/98/64/966679864.db2.gz HFOCLSFMOCGTNS-BXUZGUMPSA-N 0 3 235.327 1.985 20 10 BDCDHN COc1cccc(CN2CC[C@@]23CCOC3)c1O ZINC001203601777 966701713 /nfs/dbraw/zinc/70/17/13/966701713.db2.gz KWASPQVBCFPABN-AWEZNQCLSA-N 0 3 249.310 1.766 20 10 BDCDHN C[C@@]1(O)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203875581 966807002 /nfs/dbraw/zinc/80/70/02/966807002.db2.gz QSIBKRDAWNWELC-GFCCVEGCSA-N 0 3 223.272 1.055 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC[C@H]1O ZINC001204276097 966951399 /nfs/dbraw/zinc/95/13/99/966951399.db2.gz GLLFPMKIAKDNBR-JOYOIKCWSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC[C@H]1O ZINC001204276097 966951405 /nfs/dbraw/zinc/95/14/05/966951405.db2.gz GLLFPMKIAKDNBR-JOYOIKCWSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@@H]1CN(Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204276249 966954805 /nfs/dbraw/zinc/95/48/05/966954805.db2.gz IFVUILNYEOLYTQ-KCJUWKMLSA-N 0 3 225.263 1.888 20 10 BDCDHN C[C@@]1(O)CCC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278670 966961198 /nfs/dbraw/zinc/96/11/98/966961198.db2.gz HSIVIAIYTKDBTD-CYBMUJFWSA-N 0 3 237.299 1.445 20 10 BDCDHN C[C@@]1(O)CCC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204278670 966961200 /nfs/dbraw/zinc/96/12/00/966961200.db2.gz HSIVIAIYTKDBTD-CYBMUJFWSA-N 0 3 237.299 1.445 20 10 BDCDHN CCC[C@@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001252789114 968967540 /nfs/dbraw/zinc/96/75/40/968967540.db2.gz MSCAFUWUCUFEQF-GFCCVEGCSA-N 0 3 235.327 1.911 20 10 BDCDHN CCC[C@@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001252789114 968967543 /nfs/dbraw/zinc/96/75/43/968967543.db2.gz MSCAFUWUCUFEQF-GFCCVEGCSA-N 0 3 235.327 1.911 20 10 BDCDHN CC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2[O-])C1 ZINC001169561785 969753504 /nfs/dbraw/zinc/75/35/04/969753504.db2.gz XXTQFVYGDZYOAB-ZDUSSCGKSA-N 0 3 248.326 1.445 20 10 BDCDHN CC(=O)N1CC[C@H]([N@@H+](C)Cc2ccccc2[O-])C1 ZINC001169561785 969753508 /nfs/dbraw/zinc/75/35/08/969753508.db2.gz XXTQFVYGDZYOAB-ZDUSSCGKSA-N 0 3 248.326 1.445 20 10 BDCDHN C[C@@H](NC(=O)[C@@H](N)CC1CC1)c1ccccc1O ZINC001330875623 974515612 /nfs/dbraw/zinc/51/56/12/974515612.db2.gz HBKNGZQKVSEMIW-SKDRFNHKSA-N 0 3 248.326 1.697 20 10 BDCDHN CO[C@H](C)C1C[NH+](Cc2ccc(O)cc2[O-])C1 ZINC001204277398 978929687 /nfs/dbraw/zinc/92/96/87/978929687.db2.gz CMSROVRJQIVQFJ-SECBINFHSA-N 0 3 237.299 1.565 20 10 BDCDHN CCN(CC)c1ccc(CN2CCNC2)cc1 ZINC001236844853 979751401 /nfs/dbraw/zinc/75/14/01/979751401.db2.gz WLZJZUFNQHKORG-UHFFFAOYSA-N 0 3 233.359 1.896 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC001238056220 980132555 /nfs/dbraw/zinc/13/25/55/980132555.db2.gz FUIHDSZXVKRFTE-JOYOIKCWSA-N 0 3 239.290 1.652 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1[O-] ZINC001238056220 980132558 /nfs/dbraw/zinc/13/25/58/980132558.db2.gz FUIHDSZXVKRFTE-JOYOIKCWSA-N 0 3 239.290 1.652 20 10 BDCDHN C[NH2+]C[C@@H](C)NCc1ccc(Cl)cc1[O-] ZINC001578638746 985246549 /nfs/dbraw/zinc/24/65/49/985246549.db2.gz TWKMMJODPVMYKD-MRVPVSSYSA-N 0 3 228.723 1.743 20 10 BDCDHN Cc1cnn(C)c1CNCc1ccc(N)cc1 ZINC001579826437 986251227 /nfs/dbraw/zinc/25/12/27/986251227.db2.gz LFBOBPRHXORETN-UHFFFAOYSA-N 0 3 230.315 1.601 20 10 BDCDHN COc1cc(C)c(C[NH2+][C@H]2CCOC2)c([O-])c1 ZINC001462661426 986485996 /nfs/dbraw/zinc/48/59/96/986485996.db2.gz DFOMHOZOMMWBLV-JTQLQIEISA-N 0 3 237.299 1.588 20 10 BDCDHN CC[C@@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NC ZINC000697934834 987369950 /nfs/dbraw/zinc/36/99/50/987369950.db2.gz GDQWIRRTSBZAJC-SNVBAGLBSA-N 0 3 240.278 1.146 20 10 BDCDHN COC(=O)CC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC001140060112 991510646 /nfs/dbraw/zinc/51/06/46/991510646.db2.gz LGLVTYZUOCWKDG-UHFFFAOYSA-N 0 3 241.262 1.526 20 10 BDCDHN COC(=O)CC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC001140060112 991510653 /nfs/dbraw/zinc/51/06/53/991510653.db2.gz LGLVTYZUOCWKDG-UHFFFAOYSA-N 0 3 241.262 1.526 20 10 BDCDHN C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058395 991511834 /nfs/dbraw/zinc/51/18/34/991511834.db2.gz YFJGTEXSULGFDU-CABZTGNLSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H]1C[C@@H](CO)[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140058395 991511848 /nfs/dbraw/zinc/51/18/48/991511848.db2.gz YFJGTEXSULGFDU-CABZTGNLSA-N 0 3 239.290 1.734 20 10 BDCDHN Cc1ccc(C)c(CN2CCNC(=O)CC2)c1O ZINC001140179563 991548739 /nfs/dbraw/zinc/54/87/39/991548739.db2.gz FNVQRVDHPBMLLZ-UHFFFAOYSA-N 0 3 248.326 1.331 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH2+][C@@H]1CCCOCC1 ZINC000393873909 994017388 /nfs/dbraw/zinc/01/73/88/994017388.db2.gz DVLVONKBSHXHHC-LLVKDONJSA-N 0 3 237.299 1.757 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1[O-] ZINC000195006923 136221392 /nfs/dbraw/zinc/22/13/92/136221392.db2.gz CNFIXMGENJSMPG-SKDRFNHKSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cccc(CN[C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000195006923 136221393 /nfs/dbraw/zinc/22/13/93/136221393.db2.gz CNFIXMGENJSMPG-SKDRFNHKSA-N 0 3 248.326 1.315 20 10 BDCDHN C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1[O-] ZINC000183638053 398250018 /nfs/dbraw/zinc/25/00/18/398250018.db2.gz HXQBAWDFYXWNAS-VIFPVBQESA-N 0 3 236.315 1.554 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]CCN(C)C)c([O-])c1 ZINC000020083636 342968454 /nfs/dbraw/zinc/96/84/54/342968454.db2.gz QHSHPJAWVRHAMP-NSHDSACASA-N 0 3 222.332 1.913 20 10 BDCDHN C[C@H](CN1CCCC1=O)[NH2+]Cc1ccccc1[O-] ZINC000037782334 343355271 /nfs/dbraw/zinc/35/52/71/343355271.db2.gz ZXBFRHASXCVETB-LLVKDONJSA-N 0 3 248.326 1.493 20 10 BDCDHN C[C@@H](Cn1ccnc1)[NH2+]Cc1ccccc1[O-] ZINC000037157232 343337470 /nfs/dbraw/zinc/33/74/70/343337470.db2.gz HBINXFCYFXHCDT-NSHDSACASA-N 0 3 231.299 1.767 20 10 BDCDHN Cc1cccc(C[N@@H+](C)[C@H]2CCOC2)c1[O-] ZINC000162818034 179071503 /nfs/dbraw/zinc/07/15/03/179071503.db2.gz LPYVVNJJZMJZHZ-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc(C[N@H+](C)[C@H]2CCOC2)c1[O-] ZINC000162818034 179071504 /nfs/dbraw/zinc/07/15/04/179071504.db2.gz LPYVVNJJZMJZHZ-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000183374432 179073498 /nfs/dbraw/zinc/07/34/98/179073498.db2.gz BBTFGSMVRPAYQQ-GFCCVEGCSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1[O-] ZINC000183374432 179073500 /nfs/dbraw/zinc/07/35/00/179073500.db2.gz BBTFGSMVRPAYQQ-GFCCVEGCSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000191181084 179081734 /nfs/dbraw/zinc/08/17/34/179081734.db2.gz NWQFSAFSAFKIFK-GWCFXTLKSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H](C)[C@@H]2CO)c1[O-] ZINC000191181084 179081735 /nfs/dbraw/zinc/08/17/35/179081735.db2.gz NWQFSAFSAFKIFK-GWCFXTLKSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[NH2+]CCC[C@@H](C)O)c1[O-] ZINC000228090910 179089503 /nfs/dbraw/zinc/08/95/03/179089503.db2.gz RTQSIZVSWHYOMB-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC[C@H](C)O)c1 ZINC000078780379 187793106 /nfs/dbraw/zinc/79/31/06/187793106.db2.gz PAIFFKDBCXKHLW-JTQLQIEISA-N 0 3 209.289 1.561 20 10 BDCDHN CO[C@@H](C)C[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000191208351 353448563 /nfs/dbraw/zinc/44/85/63/353448563.db2.gz PYIHIPXTZDBWOK-QMMMGPOBSA-N 0 3 239.271 1.245 20 10 BDCDHN NC(=O)C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000368132271 181245978 /nfs/dbraw/zinc/24/59/78/181245978.db2.gz FHXWATJLWSGQID-SNVBAGLBSA-N 0 3 234.299 1.090 20 10 BDCDHN NC(=O)C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000368132271 181245979 /nfs/dbraw/zinc/24/59/79/181245979.db2.gz FHXWATJLWSGQID-SNVBAGLBSA-N 0 3 234.299 1.090 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCCOCC2)c1 ZINC000132725443 358734029 /nfs/dbraw/zinc/73/40/29/358734029.db2.gz LSZDHPNWHMASFF-UHFFFAOYSA-N 0 3 221.300 1.923 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCCOCC2)c1 ZINC000132725443 358734031 /nfs/dbraw/zinc/73/40/31/358734031.db2.gz LSZDHPNWHMASFF-UHFFFAOYSA-N 0 3 221.300 1.923 20 10 BDCDHN CNC(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297326836 364788230 /nfs/dbraw/zinc/78/82/30/364788230.db2.gz NRWYJKSUEHFPML-WCBMZHEXSA-N 0 3 234.299 1.104 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1=CCCOC1 ZINC000290176187 183274696 /nfs/dbraw/zinc/27/46/96/183274696.db2.gz NHFCDXURGYYZBM-UHFFFAOYSA-N 0 3 237.274 1.968 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294941261 183274758 /nfs/dbraw/zinc/27/47/58/183274758.db2.gz VIVNSDBVGHKUMF-AOOOYVTPSA-N 0 3 211.236 1.144 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCOC1 ZINC000226593961 183275299 /nfs/dbraw/zinc/27/52/99/183275299.db2.gz HREXTJRWTBOYFA-NSHDSACASA-N 0 3 225.263 1.800 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@@H](O)C1)CC2 ZINC000296013473 183298422 /nfs/dbraw/zinc/29/84/22/183298422.db2.gz RHOLVERVFLHICK-OUAUKWLOSA-N 0 3 219.284 1.492 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000125266125 183303667 /nfs/dbraw/zinc/30/36/67/183303667.db2.gz PYBCVWXVNMKILQ-ZYHUDNBSSA-N 0 3 207.273 1.395 20 10 BDCDHN CCCNC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000036780986 169228785 /nfs/dbraw/zinc/22/87/85/169228785.db2.gz NGGBGOYUONPNOH-SNVBAGLBSA-N 0 3 236.315 1.569 20 10 BDCDHN CCC[C@@H](N)C(=O)NCc1ccccc1O ZINC000083351979 169390129 /nfs/dbraw/zinc/39/01/29/169390129.db2.gz JOIHVJVWIDTTDG-SNVBAGLBSA-N 0 3 222.288 1.136 20 10 BDCDHN C[C@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295809568 383849591 /nfs/dbraw/zinc/84/95/91/383849591.db2.gz CRYGRDVUZQCENP-WPRPVWTQSA-N 0 3 207.273 1.350 20 10 BDCDHN CC[N@H+](CCO)Cc1cccc(C)c1[O-] ZINC000132477441 384190672 /nfs/dbraw/zinc/19/06/72/384190672.db2.gz CKIWTSCFBQKCPP-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN CC[N@@H+](CCO)Cc1cccc(C)c1[O-] ZINC000132477441 384190676 /nfs/dbraw/zinc/19/06/76/384190676.db2.gz CKIWTSCFBQKCPP-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN C[C@@H]([NH2+]CCOCCO)c1cc(F)ccc1[O-] ZINC000094616990 384308418 /nfs/dbraw/zinc/30/84/18/384308418.db2.gz GYJUOJDNJIMMKP-SECBINFHSA-N 0 3 243.278 1.191 20 10 BDCDHN COC[C@@H](C)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000045656413 384399905 /nfs/dbraw/zinc/39/99/05/384399905.db2.gz GDDQTNNJJKFEHD-JTQLQIEISA-N 0 3 239.315 1.773 20 10 BDCDHN C[C@H]1OCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000120821226 384384388 /nfs/dbraw/zinc/38/43/88/384384388.db2.gz GJLMVLIBOKYEQM-MFKMUULPSA-N 0 3 233.311 1.889 20 10 BDCDHN C[C@@H]([NH2+]CCCN(C)C)c1ccccc1[O-] ZINC000019958451 384563910 /nfs/dbraw/zinc/56/39/10/384563910.db2.gz SFHCJGWSUZQNPG-LLVKDONJSA-N 0 3 222.332 1.995 20 10 BDCDHN C[C@H](CCCO)[NH2+]Cc1ccccc1[O-] ZINC000087358345 384772030 /nfs/dbraw/zinc/77/20/30/384772030.db2.gz XDEPVGPDLNLPRS-SNVBAGLBSA-N 0 3 209.289 1.643 20 10 BDCDHN CC(C)(O)C1C[NH+](Cc2cc(F)ccc2[O-])C1 ZINC000297524381 384839617 /nfs/dbraw/zinc/83/96/17/384839617.db2.gz YOKIDHCGWCBTHO-UHFFFAOYSA-N 0 3 239.290 1.734 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H](C)CCO)c1 ZINC000085126302 384920198 /nfs/dbraw/zinc/92/01/98/384920198.db2.gz CSWJMSMLCLLTOX-LLVKDONJSA-N 0 3 223.316 1.809 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111339 385075183 /nfs/dbraw/zinc/07/51/83/385075183.db2.gz COJWEHCPVQVWFR-WPRPVWTQSA-N 0 3 227.279 1.953 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])CC1(CO)CC1 ZINC000188959956 385107772 /nfs/dbraw/zinc/10/77/72/385107772.db2.gz HFTSNEISSZMNFJ-UHFFFAOYSA-N 0 3 221.300 1.597 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])CC1(CO)CC1 ZINC000188959956 385107779 /nfs/dbraw/zinc/10/77/79/385107779.db2.gz HFTSNEISSZMNFJ-UHFFFAOYSA-N 0 3 221.300 1.597 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]CCCCO)c1 ZINC000193249685 385389075 /nfs/dbraw/zinc/38/90/75/385389075.db2.gz GKRSXDPQNOUHCD-UHFFFAOYSA-N 0 3 239.315 1.653 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000272378025 385899125 /nfs/dbraw/zinc/89/91/25/385899125.db2.gz HIESWTNHJVMHHW-GXFFZTMASA-N 0 3 221.300 1.595 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000272378025 385899133 /nfs/dbraw/zinc/89/91/33/385899133.db2.gz HIESWTNHJVMHHW-GXFFZTMASA-N 0 3 221.300 1.595 20 10 BDCDHN COC[C@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226587917 386338558 /nfs/dbraw/zinc/33/85/58/386338558.db2.gz WNRHVQSDFNJVNP-SECBINFHSA-N 0 3 227.279 1.903 20 10 BDCDHN COC[C@H](C[NH2+][C@@H](C)c1ccccc1[O-])OC ZINC000228808805 386619695 /nfs/dbraw/zinc/61/96/95/386619695.db2.gz ZYXUZJVKMBQSIH-QWRGUYRKSA-N 0 3 239.315 1.704 20 10 BDCDHN O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1 ZINC000279322485 386664840 /nfs/dbraw/zinc/66/48/40/386664840.db2.gz CGSGSSYTNZAZMT-AWEZNQCLSA-N 0 3 246.310 1.104 20 10 BDCDHN O=C1C[C@@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1 ZINC000279322485 386664848 /nfs/dbraw/zinc/66/48/48/386664848.db2.gz CGSGSSYTNZAZMT-AWEZNQCLSA-N 0 3 246.310 1.104 20 10 BDCDHN CN(C)c1ccc(C2=CCN(CCCO)C2)cc1 ZINC000374780325 387489549 /nfs/dbraw/zinc/48/95/49/387489549.db2.gz MEGWBKPXVDTUGX-UHFFFAOYSA-N 0 3 246.354 1.834 20 10 BDCDHN COCC[C@H](CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000281375845 387572109 /nfs/dbraw/zinc/57/21/09/387572109.db2.gz VWBFAGWCRUTODP-LLVKDONJSA-N 0 3 243.278 1.018 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000272355106 171088908 /nfs/dbraw/zinc/08/89/08/171088908.db2.gz DQWGERXUKJTDKS-RNCFNFMXSA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000272355106 171088912 /nfs/dbraw/zinc/08/89/12/171088912.db2.gz DQWGERXUKJTDKS-RNCFNFMXSA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111342 171452841 /nfs/dbraw/zinc/45/28/41/171452841.db2.gz COJWEHCPVQVWFR-PSASIEDQSA-N 0 3 227.279 1.953 20 10 BDCDHN CC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000163988801 171576090 /nfs/dbraw/zinc/57/60/90/171576090.db2.gz SGYYXRHVLZMHHR-UWVGGRQHSA-N 0 3 239.315 1.822 20 10 BDCDHN CN(C)C(=O)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297542542 172360336 /nfs/dbraw/zinc/36/03/36/172360336.db2.gz FELINGIBGLXNNQ-NSHDSACASA-N 0 3 248.326 1.447 20 10 BDCDHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000179554744 172384296 /nfs/dbraw/zinc/38/42/96/172384296.db2.gz WGESFGIBZGPZGY-LBPRGKRZSA-N 0 3 248.326 1.445 20 10 BDCDHN CN(C)C(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000179554744 172384298 /nfs/dbraw/zinc/38/42/98/172384298.db2.gz WGESFGIBZGPZGY-LBPRGKRZSA-N 0 3 248.326 1.445 20 10 BDCDHN CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccccc1[O-] ZINC000179585192 173294439 /nfs/dbraw/zinc/29/44/39/173294439.db2.gz QQYHCLCNLLIRGF-JTQLQIEISA-N 0 3 236.315 1.206 20 10 BDCDHN CNC(=O)[C@@H](C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000179585192 173294440 /nfs/dbraw/zinc/29/44/40/173294440.db2.gz QQYHCLCNLLIRGF-JTQLQIEISA-N 0 3 236.315 1.206 20 10 BDCDHN CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000094617865 173302872 /nfs/dbraw/zinc/30/28/72/173302872.db2.gz KXPHJGDPIXJZDD-YUMQZZPRSA-N 0 3 240.278 1.316 20 10 BDCDHN COc1ccc(O)c(CN(C)[C@H]2CCOC2)c1 ZINC000156098056 175157047 /nfs/dbraw/zinc/15/70/47/175157047.db2.gz IHPHSMCBXBVYCP-NSHDSACASA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000179845023 175157943 /nfs/dbraw/zinc/15/79/43/175157943.db2.gz OXUWXHSZPZDCII-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CCC[C@H]2CO)c1 ZINC000179845023 175157945 /nfs/dbraw/zinc/15/79/45/175157945.db2.gz OXUWXHSZPZDCII-NSHDSACASA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367692452 175159260 /nfs/dbraw/zinc/15/92/60/175159260.db2.gz ZOIRVCHAAFUIHY-XYYAHUGASA-N 0 3 249.310 1.383 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@@H](C)CCO)c1 ZINC000097436196 175159531 /nfs/dbraw/zinc/15/95/31/175159531.db2.gz PQMBMGKLRGJOEL-JTQLQIEISA-N 0 3 239.315 1.509 20 10 BDCDHN COc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1[O-] ZINC000368616975 175265581 /nfs/dbraw/zinc/26/55/81/175265581.db2.gz VKKGYWZTTWLDEE-CNDDSTCGSA-N 0 3 249.310 1.383 20 10 BDCDHN COc1cccc(C[NH2+][C@H](C)CCCO)c1[O-] ZINC000094942277 175266603 /nfs/dbraw/zinc/26/66/03/175266603.db2.gz FYYHIWWCFFITPV-SNVBAGLBSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1cccc(C[NH2+][C@H](C)[C@H](C)CO)c1[O-] ZINC000077421969 175268346 /nfs/dbraw/zinc/26/83/46/175268346.db2.gz YNSVVNCQDGCUAB-NXEZZACHSA-N 0 3 239.315 1.507 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1COCCN1)c1ccccc1[O-] ZINC000530218584 324535505 /nfs/dbraw/zinc/53/55/05/324535505.db2.gz CVRWBYJEPWMBMJ-QWRGUYRKSA-N 0 3 236.315 1.031 20 10 BDCDHN CC[C@@H](C(=O)NCc1ccccc1O)N(C)C ZINC000269138053 491108732 /nfs/dbraw/zinc/10/87/32/491108732.db2.gz KYBBCXDIAQQXLN-NSHDSACASA-N 0 3 236.315 1.349 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000877468775 583317334 /nfs/dbraw/zinc/31/73/34/583317334.db2.gz MPXKOIGQVHSBHJ-RYUDHWBXSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000814172969 583342936 /nfs/dbraw/zinc/34/29/36/583342936.db2.gz DSNRVZHRZRPGMR-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000814172969 583342938 /nfs/dbraw/zinc/34/29/38/583342938.db2.gz DSNRVZHRZRPGMR-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN CCOc1cccc(CN2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895647079 583699052 /nfs/dbraw/zinc/69/90/52/583699052.db2.gz JPOAANNJSGQUEF-FZMZJTMJSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000895647079 583699053 /nfs/dbraw/zinc/69/90/53/583699053.db2.gz JPOAANNJSGQUEF-FZMZJTMJSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000895647079 583699055 /nfs/dbraw/zinc/69/90/55/583699055.db2.gz JPOAANNJSGQUEF-FZMZJTMJSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cc(C)cc(CN2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895644902 583700381 /nfs/dbraw/zinc/70/03/81/583700381.db2.gz HYCDUDATDGTORF-BXUZGUMPSA-N 0 3 249.310 1.276 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652512 583703763 /nfs/dbraw/zinc/70/37/63/583703763.db2.gz HTDKQYYMTKSCFW-CABZTGNLSA-N 0 3 223.247 1.098 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652512 583703764 /nfs/dbraw/zinc/70/37/64/583703764.db2.gz HTDKQYYMTKSCFW-CABZTGNLSA-N 0 3 223.247 1.098 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCN(C)[C@H]2C)c([O-])c1 ZINC000896554509 583811975 /nfs/dbraw/zinc/81/19/75/583811975.db2.gz ULQUBPYUMWHJHT-AAEUAGOBSA-N 0 3 234.343 1.883 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c([O-])c1 ZINC000896554510 583812220 /nfs/dbraw/zinc/81/22/20/583812220.db2.gz ULQUBPYUMWHJHT-DGCLKSJQSA-N 0 3 234.343 1.883 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897684007 584040593 /nfs/dbraw/zinc/04/05/93/584040593.db2.gz JCLFFDBFUCOINX-GWCFXTLKSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897684007 584040595 /nfs/dbraw/zinc/04/05/95/584040595.db2.gz JCLFFDBFUCOINX-GWCFXTLKSA-N 0 3 221.300 1.513 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000841041643 584118366 /nfs/dbraw/zinc/11/83/66/584118366.db2.gz CLGKMOWLSHMUMG-LLVKDONJSA-N 0 3 240.734 1.887 20 10 BDCDHN [O-]c1ccc(Cl)cc1C[NH2+][C@@H]1CCCNC1 ZINC000841041643 584118369 /nfs/dbraw/zinc/11/83/69/584118369.db2.gz CLGKMOWLSHMUMG-LLVKDONJSA-N 0 3 240.734 1.887 20 10 BDCDHN C[C@@H]([NH3+])[C@@H](C)NCc1cccc(Cl)c1[O-] ZINC000841076979 584764541 /nfs/dbraw/zinc/76/45/41/584764541.db2.gz VSPHSJXLLRAZLE-HTQZYQBOSA-N 0 3 228.723 1.871 20 10 BDCDHN C[N@H+](CCNC(=O)c1cc([O-])cs1)C1CC1 ZINC000731871151 584930163 /nfs/dbraw/zinc/93/01/63/584930163.db2.gz FBWKQGMZNJATDM-UHFFFAOYSA-N 0 3 240.328 1.278 20 10 BDCDHN C[N@@H+](CCNC(=O)c1cc([O-])cs1)C1CC1 ZINC000731871151 584930164 /nfs/dbraw/zinc/93/01/64/584930164.db2.gz FBWKQGMZNJATDM-UHFFFAOYSA-N 0 3 240.328 1.278 20 10 BDCDHN CC[C@@](C)(O)C[NH2+]Cc1c([O-])cccc1OC ZINC000732229330 584934592 /nfs/dbraw/zinc/93/45/92/584934592.db2.gz RGGGFYMBIOHCPL-CYBMUJFWSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1cccc(C[NH2+][C@H](CO)C2CC2)c1[O-] ZINC000734164118 584959157 /nfs/dbraw/zinc/95/91/57/584959157.db2.gz KIMCAFZNXIZKCJ-LLVKDONJSA-N 0 3 237.299 1.261 20 10 BDCDHN COc1cccc([O-])c1CN1CC[NH2+][C@@H](C)C1 ZINC000768140883 585532887 /nfs/dbraw/zinc/53/28/87/585532887.db2.gz YKGZKFXRWJJFKI-JTQLQIEISA-N 0 3 236.315 1.195 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768443972 585538932 /nfs/dbraw/zinc/53/89/32/585538932.db2.gz KEISHHWBFQAHRR-ZANVPECISA-N 0 3 249.310 1.660 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768443972 585538933 /nfs/dbraw/zinc/53/89/33/585538933.db2.gz KEISHHWBFQAHRR-ZANVPECISA-N 0 3 249.310 1.660 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000769246244 585551650 /nfs/dbraw/zinc/55/16/50/585551650.db2.gz YGKPVIDPQMTBMF-SNVBAGLBSA-N 0 3 237.299 1.215 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@@H](CO)C1 ZINC000769246244 585551651 /nfs/dbraw/zinc/55/16/51/585551651.db2.gz YGKPVIDPQMTBMF-SNVBAGLBSA-N 0 3 237.299 1.215 20 10 BDCDHN COc1cccc([O-])c1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000770396044 585573777 /nfs/dbraw/zinc/57/37/77/585573777.db2.gz YEDGDTPMKQPWST-PHIMTYICSA-N 0 3 248.326 1.052 20 10 BDCDHN CC[N@H+](CCCO)Cc1cc(OC)ccc1[O-] ZINC000775717054 585683303 /nfs/dbraw/zinc/68/33/03/585683303.db2.gz QLBDDJBZJUHSJC-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CC[N@@H+](CCCO)Cc1cc(OC)ccc1[O-] ZINC000775717054 585683304 /nfs/dbraw/zinc/68/33/04/585683304.db2.gz QLBDDJBZJUHSJC-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCOc1ccc(C[N@H+](C)C[C@@H](C)O)c([O-])c1 ZINC000776520803 585700004 /nfs/dbraw/zinc/70/00/04/585700004.db2.gz GTSQWPRRNIFAPI-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1ccc(C[N@@H+](C)C[C@@H](C)O)c([O-])c1 ZINC000776520803 585700005 /nfs/dbraw/zinc/70/00/05/585700005.db2.gz GTSQWPRRNIFAPI-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)CC1CC1 ZINC000779099585 585745167 /nfs/dbraw/zinc/74/51/67/585745167.db2.gz LEECHLACNFDGFI-GFCCVEGCSA-N 0 3 239.290 1.782 20 10 BDCDHN COc1ccc(O)c(CN2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783734559 585841174 /nfs/dbraw/zinc/84/11/74/585841174.db2.gz MQUWQRGQFOJVPM-RISCZKNCSA-N 0 3 249.310 1.215 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783734559 585841175 /nfs/dbraw/zinc/84/11/75/585841175.db2.gz MQUWQRGQFOJVPM-RISCZKNCSA-N 0 3 249.310 1.215 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783734559 585841176 /nfs/dbraw/zinc/84/11/76/585841176.db2.gz MQUWQRGQFOJVPM-RISCZKNCSA-N 0 3 249.310 1.215 20 10 BDCDHN CC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccccc1[O-] ZINC000809576431 586507747 /nfs/dbraw/zinc/50/77/47/586507747.db2.gz VUCKVWZWIOMBGI-ZDUSSCGKSA-N 0 3 237.299 1.164 20 10 BDCDHN CC(=O)[C@@](C)(O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000809576431 586507748 /nfs/dbraw/zinc/50/77/48/586507748.db2.gz VUCKVWZWIOMBGI-ZDUSSCGKSA-N 0 3 237.299 1.164 20 10 BDCDHN COC[C@@H]1CCN1Cc1c(O)cccc1OC ZINC000816637177 586746192 /nfs/dbraw/zinc/74/61/92/586746192.db2.gz VRAPMELJBWHFLD-JTQLQIEISA-N 0 3 237.299 1.622 20 10 BDCDHN C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000817414127 586802004 /nfs/dbraw/zinc/80/20/04/586802004.db2.gz GBDVBAGFZNLLGM-SKDRFNHKSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@@H]1CC[C@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000817414127 586802005 /nfs/dbraw/zinc/80/20/05/586802005.db2.gz GBDVBAGFZNLLGM-SKDRFNHKSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@@H]([NH2+]CCCN)c1cc(F)cc(F)c1[O-] ZINC000817938956 586843919 /nfs/dbraw/zinc/84/39/19/586843919.db2.gz WHEPHJIQUBHGCT-SSDOTTSWSA-N 0 3 230.258 1.670 20 10 BDCDHN C[C@@H](NCCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817938956 586843920 /nfs/dbraw/zinc/84/39/20/586843920.db2.gz WHEPHJIQUBHGCT-SSDOTTSWSA-N 0 3 230.258 1.670 20 10 BDCDHN C[NH2+]CCN[C@H]1C[C@@H](C)c2c1c([O-])ccc2F ZINC000817952587 586847838 /nfs/dbraw/zinc/84/78/38/586847838.db2.gz RULDXIWTMGXGDA-SCZZXKLOSA-N 0 3 238.306 1.889 20 10 BDCDHN C[C@@H](NCCc1ccc(N)cc1)c1nccn1C ZINC000817955488 586850204 /nfs/dbraw/zinc/85/02/04/586850204.db2.gz BZQXXKUXISRLSQ-LLVKDONJSA-N 0 3 244.342 1.896 20 10 BDCDHN C[C@H]([NH2+]C[C@H](N)C1CC1)c1ccc(F)cc1[O-] ZINC000817965933 586855701 /nfs/dbraw/zinc/85/57/01/586855701.db2.gz XCTLLZKVBKZMII-UFBFGSQYSA-N 0 3 238.306 1.919 20 10 BDCDHN COC(=O)C1(C)CN(Cc2ccccc2O)C1 ZINC000822534603 587173633 /nfs/dbraw/zinc/17/36/33/587173633.db2.gz PFOURJLIKCWRNJ-UHFFFAOYSA-N 0 3 235.283 1.387 20 10 BDCDHN COc1cccc(O)c1CN1CC2(CC2)C1 ZINC000824533374 587273896 /nfs/dbraw/zinc/27/38/96/587273896.db2.gz DXZNBKHLRLFVEZ-UHFFFAOYSA-N 0 3 219.284 1.997 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000825257065 587311476 /nfs/dbraw/zinc/31/14/76/587311476.db2.gz SSBAMZHCRLBOTD-LPEHRKFASA-N 0 3 237.299 1.575 20 10 BDCDHN C[C@H]1C[NH+](Cc2ccccc2[O-])C[C@H](C)C1O ZINC000827151971 587371239 /nfs/dbraw/zinc/37/12/39/587371239.db2.gz OISOFLGMNNNAEE-QWRGUYRKSA-N 0 3 235.327 1.841 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C1(CO)CC1 ZINC000827903934 587408680 /nfs/dbraw/zinc/40/86/80/587408680.db2.gz QVHUEAPGZMCTOP-UHFFFAOYSA-N 0 3 207.273 1.349 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C1(CO)CC1 ZINC000827903934 587408682 /nfs/dbraw/zinc/40/86/82/587408682.db2.gz QVHUEAPGZMCTOP-UHFFFAOYSA-N 0 3 207.273 1.349 20 10 BDCDHN CCCC(=O)NC[C@H](N)c1ccc(N(C)C)cc1 ZINC000832286103 587653023 /nfs/dbraw/zinc/65/30/23/587653023.db2.gz WDLJSLLOJJQORV-ZDUSSCGKSA-N 0 3 249.358 1.669 20 10 BDCDHN C[C@@H](NC1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000832659108 587674896 /nfs/dbraw/zinc/67/48/96/587674896.db2.gz MKZQDJZUMJOKSQ-SNVBAGLBSA-N 0 3 247.342 1.068 20 10 BDCDHN Cc1cc(N(C)C)ccc1CN(C)CCO ZINC000840907725 587928663 /nfs/dbraw/zinc/92/86/63/587928663.db2.gz HMYXAQZJIBLIJE-UHFFFAOYSA-N 0 3 222.332 1.485 20 10 BDCDHN CC(C)[C@H](N)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841029033 587936468 /nfs/dbraw/zinc/93/64/68/587936468.db2.gz DKLSRZAZGSAWLT-LLVKDONJSA-N 0 3 226.295 1.604 20 10 BDCDHN CC(C)[C@H]([NH3+])CNCc1cccc(F)c1[O-] ZINC000841029033 587936469 /nfs/dbraw/zinc/93/64/69/587936469.db2.gz DKLSRZAZGSAWLT-LLVKDONJSA-N 0 3 226.295 1.604 20 10 BDCDHN CCC[NH2+]CCNCc1ccccc1[O-] ZINC000841046737 587939259 /nfs/dbraw/zinc/93/92/59/587939259.db2.gz MDRTWODYPBQNJQ-UHFFFAOYSA-N 0 3 208.305 1.481 20 10 BDCDHN C[C@@H](CN)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841048317 587939491 /nfs/dbraw/zinc/93/94/91/587939491.db2.gz HHCBCSBDZOQTTR-QMMMGPOBSA-N 0 3 228.723 1.730 20 10 BDCDHN C[C@H]1CNCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841062600 587942012 /nfs/dbraw/zinc/94/20/12/587942012.db2.gz AWKYRBZSGXDTNV-CABZTGNLSA-N 0 3 238.306 1.619 20 10 BDCDHN CC1(C)[NH2+]CC[C@@H]1NCc1cc(F)ccc1[O-] ZINC000841086078 587945799 /nfs/dbraw/zinc/94/57/99/587945799.db2.gz LTIUWEVYQAPQQJ-LBPRGKRZSA-N 0 3 238.306 1.761 20 10 BDCDHN CN(C)c1ccc(CN[C@H]2C[C@@](C)(O)C2)cc1 ZINC000841890463 587981902 /nfs/dbraw/zinc/98/19/02/587981902.db2.gz BDQIJOVCPOTHSJ-XBXGTLAGSA-N 0 3 234.343 1.756 20 10 BDCDHN C[NH+](C)C1(CNC(=O)c2cc([O-])cs2)CC1 ZINC000842271591 588010407 /nfs/dbraw/zinc/01/04/07/588010407.db2.gz LQMYQWJTVQDWGP-UHFFFAOYSA-N 0 3 240.328 1.278 20 10 BDCDHN C[C@H]1C[C@H](CN)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843058047 588077870 /nfs/dbraw/zinc/07/78/70/588077870.db2.gz NZRRFYRTVYDVOW-VHSXEESVSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@H]1C[C@H](CN)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000843058047 588077871 /nfs/dbraw/zinc/07/78/71/588077871.db2.gz NZRRFYRTVYDVOW-VHSXEESVSA-N 0 3 238.306 1.700 20 10 BDCDHN COc1cccc(C[N@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846108571 588256841 /nfs/dbraw/zinc/25/68/41/588256841.db2.gz BLAJYDWSRNXJHO-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(C[N@@H+](C)[C@@H](C)CCO)c1[O-] ZINC000846108571 588256842 /nfs/dbraw/zinc/25/68/42/588256842.db2.gz BLAJYDWSRNXJHO-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CC[C@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846135207 588258378 /nfs/dbraw/zinc/25/83/78/588258378.db2.gz CBSCDJISGIIBOI-VHSXEESVSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]CC(C)(C)O)c1[O-] ZINC000846148192 588258702 /nfs/dbraw/zinc/25/87/02/588258702.db2.gz YBHUZFSEMVBQDK-VIFPVBQESA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@H]2CCOC2)c1[O-] ZINC000846158496 588258768 /nfs/dbraw/zinc/25/87/68/588258768.db2.gz ZWTBGEHJIMZEKJ-UWVGGRQHSA-N 0 3 237.299 1.840 20 10 BDCDHN NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc([O-])c32)C1 ZINC000846195733 588259811 /nfs/dbraw/zinc/25/98/11/588259811.db2.gz ZZJOHHPFGSZTEA-OUAUKWLOSA-N 0 3 246.310 1.233 20 10 BDCDHN CCc1cccc(C[N@@H+]2CC[C@H](O)C2)c1[O-] ZINC000848881643 588416166 /nfs/dbraw/zinc/41/61/66/588416166.db2.gz QTVREAYXXJBDCP-LBPRGKRZSA-N 0 3 221.300 1.521 20 10 BDCDHN CCc1cccc(C[N@H+]2CC[C@H](O)C2)c1[O-] ZINC000848881643 588416168 /nfs/dbraw/zinc/41/61/68/588416168.db2.gz QTVREAYXXJBDCP-LBPRGKRZSA-N 0 3 221.300 1.521 20 10 BDCDHN CCc1cccc(C[NH2+][C@@H](CO)CCF)c1[O-] ZINC000848918722 588420743 /nfs/dbraw/zinc/42/07/43/588420743.db2.gz JNMCZADOOVPYEO-GFCCVEGCSA-N 0 3 241.306 1.765 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C/C=C/CO)cc1C ZINC000850357700 588539517 /nfs/dbraw/zinc/53/95/17/588539517.db2.gz RZAAUSJSMOVPFQ-ONEGZZNKSA-N 0 3 221.300 1.647 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]C[C@@H]2CCC(=O)N2)cc1C ZINC000850389295 588543039 /nfs/dbraw/zinc/54/30/39/588543039.db2.gz XMMPENUACFDYDW-LBPRGKRZSA-N 0 3 248.326 1.377 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000850418025 588545190 /nfs/dbraw/zinc/54/51/90/588545190.db2.gz VSFHEAIPPJRHOG-MGCOHNPYSA-N 0 3 223.272 1.014 20 10 BDCDHN Nc1ccc(NC(=O)[C@@H]2NCC23CCCC3)cc1 ZINC000852824992 588705989 /nfs/dbraw/zinc/70/59/89/588705989.db2.gz FLJWSXOBPGKZFJ-LBPRGKRZSA-N 0 3 245.326 1.740 20 10 BDCDHN COc1ccc(CNC(=[NH2+])N[C@H]2C[C@H]2C)c([O-])c1 ZINC000864465425 589371014 /nfs/dbraw/zinc/37/10/14/589371014.db2.gz WJGUAGWULLINKN-KCJUWKMLSA-N 0 3 249.314 1.423 20 10 BDCDHN COC[C@H](C)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020087726 590072319 /nfs/dbraw/zinc/07/23/19/590072319.db2.gz IISOBCDJUCVSPD-VIFPVBQESA-N 0 3 225.288 1.525 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1[O-] ZINC000124729579 590079794 /nfs/dbraw/zinc/07/97/94/590079794.db2.gz LDXJVRHRIIJWEL-CYBMUJFWSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1cccc(C[NH2+]CCC(=O)N(C)C)c1[O-] ZINC000124753544 590081485 /nfs/dbraw/zinc/08/14/85/590081485.db2.gz WTLHDPMTRUVSOF-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000876522913 590208006 /nfs/dbraw/zinc/20/80/06/590208006.db2.gz GGZBIDMQKNNZDW-NSHDSACASA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)c([O-])c1 ZINC000876522913 590208008 /nfs/dbraw/zinc/20/80/08/590208008.db2.gz GGZBIDMQKNNZDW-NSHDSACASA-N 0 3 234.299 1.008 20 10 BDCDHN CC[N@H+](CCCO)Cc1ccc(C)cc1[O-] ZINC000876766267 590239750 /nfs/dbraw/zinc/23/97/50/590239750.db2.gz GSBOUVPBCXHGFJ-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CC[N@@H+](CCCO)Cc1ccc(C)cc1[O-] ZINC000876766267 590239751 /nfs/dbraw/zinc/23/97/51/590239751.db2.gz GSBOUVPBCXHGFJ-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN COCCC[NH2+]Cc1c(C)cccc1[O-] ZINC000876887293 590254145 /nfs/dbraw/zinc/25/41/45/590254145.db2.gz QXMDCMXDUXTUOU-UHFFFAOYSA-N 0 3 209.289 1.827 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1COCCO1 ZINC000876951208 590260557 /nfs/dbraw/zinc/26/05/57/590260557.db2.gz HBDGDLLRAMSWAD-NSHDSACASA-N 0 3 237.299 1.206 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC(C)(C)O ZINC000877040472 590273293 /nfs/dbraw/zinc/27/32/93/590273293.db2.gz XIIXLOJCFAIMCL-UHFFFAOYSA-N 0 3 209.289 1.561 20 10 BDCDHN COC[C@H](CCO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877048317 590274470 /nfs/dbraw/zinc/27/44/70/590274470.db2.gz KSAHLSMDHNTZNA-NSHDSACASA-N 0 3 239.315 1.188 20 10 BDCDHN CC[C@H](CCO)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877054945 590275240 /nfs/dbraw/zinc/27/52/40/590275240.db2.gz LWMYHYBLRGJRSZ-GFCCVEGCSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)[C@H](C)CO)c([O-])c1 ZINC000877057451 590275808 /nfs/dbraw/zinc/27/58/08/590275808.db2.gz FCUHILBRTHWRCN-GHMZBOCLSA-N 0 3 223.316 1.807 20 10 BDCDHN C[C@H](NC1CC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078013 590279021 /nfs/dbraw/zinc/27/90/21/590279021.db2.gz ZDDHTJKVTDLCTI-VIFPVBQESA-N 0 3 233.315 1.372 20 10 BDCDHN Cc1ccc(C[NH2+]CC[C@@H](C)O)c([O-])c1 ZINC000877090893 590280721 /nfs/dbraw/zinc/28/07/21/590280721.db2.gz XUTZSAMXTRQTMV-SNVBAGLBSA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)CCCO ZINC000877109243 590286799 /nfs/dbraw/zinc/28/67/99/590286799.db2.gz DDQWYKCVDSTAIA-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1CCOC1 ZINC000877112699 590287339 /nfs/dbraw/zinc/28/73/39/590287339.db2.gz TXIZFJGHWFZKQK-JTQLQIEISA-N 0 3 207.273 1.579 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H](C)N(C)C)c([O-])c1 ZINC000877150629 590292596 /nfs/dbraw/zinc/29/25/96/590292596.db2.gz XTPZXBVRLRRIPO-LLVKDONJSA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000877157752 590294048 /nfs/dbraw/zinc/29/40/48/590294048.db2.gz BCOPZNLWTOSMAR-NWDGAFQWSA-N 0 3 233.311 1.727 20 10 BDCDHN Cc1ccc(C[N@@H+](C)C2CC(O)C2)c([O-])c1 ZINC000877344689 590317978 /nfs/dbraw/zinc/31/79/78/590317978.db2.gz LZAQAAPCWZUMOO-UHFFFAOYSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1ccc(C[N@H+](C)C2CC(O)C2)c([O-])c1 ZINC000877344689 590317981 /nfs/dbraw/zinc/31/79/81/590317981.db2.gz LZAQAAPCWZUMOO-UHFFFAOYSA-N 0 3 221.300 1.656 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000877430385 590325386 /nfs/dbraw/zinc/32/53/86/590325386.db2.gz HHFMRSIEBWHOAI-QWHCGFSZSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c([O-])c1 ZINC000877493068 590339544 /nfs/dbraw/zinc/33/95/44/590339544.db2.gz DAESLCHYQHCJNK-AWEZNQCLSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@](C)(C(N)=O)C2)c([O-])c1 ZINC000877493068 590339547 /nfs/dbraw/zinc/33/95/47/590339547.db2.gz DAESLCHYQHCJNK-AWEZNQCLSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(O)c1CN1CC[C@@](F)(CO)C1 ZINC000877505021 590342268 /nfs/dbraw/zinc/34/22/68/590342268.db2.gz WONZMQHLNZWZFK-ZDUSSCGKSA-N 0 3 239.290 1.607 20 10 BDCDHN Cc1ccc(C[N@H+](C)CCOCCO)c([O-])c1 ZINC000877502949 590343017 /nfs/dbraw/zinc/34/30/17/590343017.db2.gz WWCQDMPRCYYWNL-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CCOCCO)c([O-])c1 ZINC000877502949 590343020 /nfs/dbraw/zinc/34/30/20/590343020.db2.gz WWCQDMPRCYYWNL-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCN2CCC1CC2 ZINC000877527383 590349027 /nfs/dbraw/zinc/34/90/27/590349027.db2.gz RIIWDCMQVCKQKG-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCN2CCC1CC2 ZINC000877527383 590349030 /nfs/dbraw/zinc/34/90/30/590349030.db2.gz RIIWDCMQVCKQKG-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN CC[N@H+](Cc1ccc(C)cc1[O-])[C@@H](C)CO ZINC000877551771 590355921 /nfs/dbraw/zinc/35/59/21/590355921.db2.gz BCTQZMQQJWBDIN-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])[C@@H](C)CO ZINC000877551771 590355924 /nfs/dbraw/zinc/35/59/24/590355924.db2.gz BCTQZMQQJWBDIN-NSHDSACASA-N 0 3 223.316 1.903 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C1CSC1 ZINC000877635485 590380651 /nfs/dbraw/zinc/38/06/51/590380651.db2.gz SWENENCVHIKCQE-UHFFFAOYSA-N 0 3 225.313 1.606 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000877656755 590386424 /nfs/dbraw/zinc/38/64/24/590386424.db2.gz APYJSDMRSMILNK-KLPPZKSPSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000877657596 590386360 /nfs/dbraw/zinc/38/63/60/590386360.db2.gz KSIVEDUMGBWBTR-PHIMTYICSA-N 0 3 221.300 1.561 20 10 BDCDHN CO[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877660965 590386998 /nfs/dbraw/zinc/38/69/98/590386998.db2.gz UBEXLRSQPFPGGV-XYPYZODXSA-N 0 3 221.300 1.968 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccccc1[O-] ZINC000879649575 590841144 /nfs/dbraw/zinc/84/11/44/590841144.db2.gz WIOLWSFETJTVBO-ZJUUUORDSA-N 0 3 235.283 1.748 20 10 BDCDHN C[C@@H]([NH2+]CCc1cn[nH]n1)c1ccccc1[O-] ZINC000879649442 590841728 /nfs/dbraw/zinc/84/17/28/590841728.db2.gz TZEUHTGUHZWYNL-SECBINFHSA-N 0 3 232.287 1.404 20 10 BDCDHN CCN(C#N)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650215 590843665 /nfs/dbraw/zinc/84/36/65/590843665.db2.gz PYTYCZCZJFLQDK-NSHDSACASA-N 0 3 233.315 1.846 20 10 BDCDHN C[N@H+](CCn1ccnc1)Cc1ccccc1[O-] ZINC000131927056 591678701 /nfs/dbraw/zinc/67/87/01/591678701.db2.gz RDRULOYNFWIIEL-UHFFFAOYSA-N 0 3 231.299 1.721 20 10 BDCDHN C[N@@H+](CCn1ccnc1)Cc1ccccc1[O-] ZINC000131927056 591678703 /nfs/dbraw/zinc/67/87/03/591678703.db2.gz RDRULOYNFWIIEL-UHFFFAOYSA-N 0 3 231.299 1.721 20 10 BDCDHN C[C@@H](CC[NH2+]Cc1ccccc1[O-])[S@@](C)=O ZINC000132556182 591718445 /nfs/dbraw/zinc/71/84/45/591718445.db2.gz YOROUQMTHCOGTQ-QFYYESIMSA-N 0 3 241.356 1.639 20 10 BDCDHN Nc1ccc(CCNC(=O)[C@@H](N)CC2CC2)cc1 ZINC000884028909 591812721 /nfs/dbraw/zinc/81/27/21/591812721.db2.gz VZHIMHPVLSEQRF-ZDUSSCGKSA-N 0 3 247.342 1.055 20 10 BDCDHN CN(C(=O)[C@@H](N)CC1CC1)c1ccc(N)cc1 ZINC000884441712 591935688 /nfs/dbraw/zinc/93/56/88/591935688.db2.gz NTQJKQHYQLGFTL-LBPRGKRZSA-N 0 3 233.315 1.359 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@@H](OC)C2)c1 ZINC000300046223 592501070 /nfs/dbraw/zinc/50/10/70/592501070.db2.gz RQGDNTRCNHMSOP-GFCCVEGCSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@@H](OC)C2)c1 ZINC000300046223 592501072 /nfs/dbraw/zinc/50/10/72/592501072.db2.gz RQGDNTRCNHMSOP-GFCCVEGCSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc(O)c(CN2CC[C@@H](OC)C2)c1 ZINC000300046223 592501075 /nfs/dbraw/zinc/50/10/75/592501075.db2.gz RQGDNTRCNHMSOP-GFCCVEGCSA-N 0 3 237.299 1.622 20 10 BDCDHN CCN(CC[NH3+])Cc1cc(F)ccc1[O-] ZINC000300875565 592523693 /nfs/dbraw/zinc/52/36/93/592523693.db2.gz YDMTVGRCMRYQPH-UHFFFAOYSA-N 0 3 212.268 1.312 20 10 BDCDHN COCC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000066995979 635401107 /nfs/dbraw/zinc/40/11/07/635401107.db2.gz ZJTWGWHZDBDHTR-UHFFFAOYSA-N 0 3 209.289 1.907 20 10 BDCDHN CC[C@H]([NH2+][C@H]1CNOC1)c1ccccc1[O-] ZINC000925869462 635580133 /nfs/dbraw/zinc/58/01/33/635580133.db2.gz LOZOWNZFEZICPJ-ONGXEEELSA-N 0 3 222.288 1.336 20 10 BDCDHN CCN(C)c1ccc(CN2CC[C@H]2CO)cc1 ZINC000934013194 631590212 /nfs/dbraw/zinc/59/02/12/631590212.db2.gz GFOZJSOVUIJEJE-AWEZNQCLSA-N 0 3 234.343 1.709 20 10 BDCDHN COC(=O)CC(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000237133385 635816744 /nfs/dbraw/zinc/81/67/44/635816744.db2.gz NHKCNZHZPYLQAE-UHFFFAOYSA-N 0 3 237.299 1.824 20 10 BDCDHN N[C@@H](CC1CC1)C(=O)NCc1ccccc1O ZINC000310268692 636007274 /nfs/dbraw/zinc/00/72/74/636007274.db2.gz SCLRARBMNGRUQK-NSHDSACASA-N 0 3 234.299 1.136 20 10 BDCDHN CC1(C)C[NH2+]C[C@@H]1NCc1cc(F)ccc1[O-] ZINC000904462702 637407572 /nfs/dbraw/zinc/40/75/72/637407572.db2.gz RBJGJSIRSIRTHR-LBPRGKRZSA-N 0 3 238.306 1.619 20 10 BDCDHN C[C@H](C[C@H](C)O)[NH2+]Cc1ccccc1[O-] ZINC000164461051 640484583 /nfs/dbraw/zinc/48/45/83/640484583.db2.gz HSAHIEWZJYYFIA-ZJUUUORDSA-N 0 3 209.289 1.641 20 10 BDCDHN CC[C@@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226611012 640778632 /nfs/dbraw/zinc/77/86/32/640778632.db2.gz MSFYBZIGSWIZRT-NSHDSACASA-N 0 3 227.279 1.782 20 10 BDCDHN CN1CC[N@H+](Cc2ccccc2[O-])CC1(C)C ZINC000211527881 641512084 /nfs/dbraw/zinc/51/20/84/641512084.db2.gz JYEVMCDYVBVYTB-UHFFFAOYSA-N 0 3 234.343 1.918 20 10 BDCDHN CN1CC[N@@H+](Cc2ccccc2[O-])CC1(C)C ZINC000211527881 641512090 /nfs/dbraw/zinc/51/20/90/641512090.db2.gz JYEVMCDYVBVYTB-UHFFFAOYSA-N 0 3 234.343 1.918 20 10 BDCDHN C[C@@H](N)C(=O)NCCCSc1nccs1 ZINC000160059135 641712953 /nfs/dbraw/zinc/71/29/53/641712953.db2.gz HFDRHWIGEKJJRT-SSDOTTSWSA-N 0 3 245.373 1.089 20 10 BDCDHN CN(Cc1cc(Cl)ccc1[O-])[C@@H]1CC[NH2+]C1 ZINC000070892262 643079354 /nfs/dbraw/zinc/07/93/54/643079354.db2.gz AGUXRCLMENXSKH-LLVKDONJSA-N 0 3 240.734 1.839 20 10 BDCDHN C[NH2+]C[C@H]1CCCN1Cc1cc(F)ccc1[O-] ZINC000220322978 645890071 /nfs/dbraw/zinc/89/00/71/645890071.db2.gz MUEBSCHYTIBLAF-GFCCVEGCSA-N 0 3 238.306 1.715 20 10 BDCDHN CN1CC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000712608580 712437723 /nfs/dbraw/zinc/43/77/23/712437723.db2.gz NBZLBCJVUHGHJX-NSHDSACASA-N 0 3 206.289 1.186 20 10 BDCDHN C[C@@H]([NH2+]CC1OCCO1)c1ccccc1[O-] ZINC000381339589 710623505 /nfs/dbraw/zinc/62/35/05/710623505.db2.gz XCFDDNPEVWNIAL-SECBINFHSA-N 0 3 223.272 1.416 20 10 BDCDHN C[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(C)(C)O ZINC000390509507 711123022 /nfs/dbraw/zinc/12/30/22/711123022.db2.gz YVYJLOWHFOYZRY-QMMMGPOBSA-N 0 3 227.279 1.780 20 10 BDCDHN Cc1ccc(O)c(CNCc2cn[nH]n2)c1 ZINC000398293931 711406702 /nfs/dbraw/zinc/40/67/02/711406702.db2.gz HYZLNWHLBHKOHQ-UHFFFAOYSA-N 0 3 218.260 1.109 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1COCCO1)CC2 ZINC000386534193 711032014 /nfs/dbraw/zinc/03/20/14/711032014.db2.gz PRSZTEAAHPQUPJ-NWDGAFQWSA-N 0 3 249.310 1.385 20 10 BDCDHN Cc1nc([C@@H](C)NCc2cccc(C)c2O)n[nH]1 ZINC000392361918 711144863 /nfs/dbraw/zinc/14/48/63/711144863.db2.gz CCYCOCHYUAFRDC-SECBINFHSA-N 0 3 246.314 1.978 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccccc1[O-] ZINC000707641942 712176417 /nfs/dbraw/zinc/17/64/17/712176417.db2.gz YMLXWCVQSWSBQC-GARJFASQSA-N 0 3 221.300 1.814 20 10 BDCDHN CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1[O-] ZINC000378804940 712362764 /nfs/dbraw/zinc/36/27/64/712362764.db2.gz WJKTZJGHHNNSDC-NQBHXWOUSA-N 0 3 221.300 1.956 20 10 BDCDHN CC(C)NC(=O)C[NH2+]Cc1ccccc1[O-] ZINC000036781509 712494772 /nfs/dbraw/zinc/49/47/72/712494772.db2.gz PBJBOPWAXYCMOE-UHFFFAOYSA-N 0 3 222.288 1.006 20 10 BDCDHN CC[C@@H]([NH2+]C/C=C\CO)c1ccccc1[O-] ZINC000717533783 712660582 /nfs/dbraw/zinc/66/05/82/712660582.db2.gz ZNXRWDODVZPDFP-FOQNGQEVSA-N 0 3 221.300 1.981 20 10 BDCDHN COc1ccc(CN[C@]23C[C@H]2COC3)cc1C ZINC000717990053 712735390 /nfs/dbraw/zinc/73/53/90/712735390.db2.gz ZRLJFENUSRJYOI-JSGCOSHPSA-N 0 3 233.311 1.882 20 10 BDCDHN C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000720976137 712884767 /nfs/dbraw/zinc/88/47/67/712884767.db2.gz DDHSKTPLTPNWFL-DCAQKATOSA-N 0 3 221.300 1.814 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)CC2 ZINC000720991736 712886133 /nfs/dbraw/zinc/88/61/33/712886133.db2.gz IMZKOUDRTPHHKO-ADEWGFFLSA-N 0 3 233.311 1.740 20 10 BDCDHN CC[C@H]([NH2+]C)C(=O)NCc1c([O-])cccc1F ZINC001342538435 979823181 /nfs/dbraw/zinc/82/31/81/979823181.db2.gz YQWPZTIGHLBFLZ-JTQLQIEISA-N 0 3 240.278 1.146 20 10 BDCDHN COC[C@H]1CCN1Cc1ccc(O)c(C)c1O ZINC001140750980 960550678 /nfs/dbraw/zinc/55/06/78/960550678.db2.gz FSFPOKNLQWGYSK-LLVKDONJSA-N 0 3 237.299 1.627 20 10 BDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(OC)c1 ZINC001141026051 960820661 /nfs/dbraw/zinc/82/06/61/960820661.db2.gz AQLUPQKDDNZKDG-AOOOYVTPSA-N 0 3 249.310 1.861 20 10 BDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c(OC)c1 ZINC001141026051 960820662 /nfs/dbraw/zinc/82/06/62/960820662.db2.gz AQLUPQKDDNZKDG-AOOOYVTPSA-N 0 3 249.310 1.861 20 10 BDCDHN Oc1ccc(O)c(CN2CC[C@H](F)[C@H](O)C2)c1 ZINC001141156252 960890893 /nfs/dbraw/zinc/89/08/93/960890893.db2.gz IQZCOYTYWVQBOE-CMPLNLGQSA-N 0 3 241.262 1.003 20 10 BDCDHN CC1([NH3+])CN(Cc2c([O-])cccc2Cl)C1 ZINC001204979912 963318229 /nfs/dbraw/zinc/31/82/29/963318229.db2.gz VZUBRRSIQDYEDZ-UHFFFAOYSA-N 0 3 226.707 1.579 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C1(CO)CC1 ZINC000696035640 963375657 /nfs/dbraw/zinc/37/56/57/963375657.db2.gz WTCWSEOIAFIWET-JTQLQIEISA-N 0 3 221.300 1.643 20 10 BDCDHN COC(=O)CC1CN(Cc2ccccc2O)C1 ZINC001203556678 966665867 /nfs/dbraw/zinc/66/58/67/966665867.db2.gz WBXYPHKJNMNKIJ-UHFFFAOYSA-N 0 3 235.283 1.387 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001203550178 966675534 /nfs/dbraw/zinc/67/55/34/966675534.db2.gz KKYUKIYQHCOWJI-JQWIXIFHSA-N 0 3 225.263 1.297 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001203550178 966675545 /nfs/dbraw/zinc/67/55/45/966675545.db2.gz KKYUKIYQHCOWJI-JQWIXIFHSA-N 0 3 225.263 1.297 20 10 BDCDHN Oc1ccc(CN2CC[C@H]3COC[C@@H]3C2)cc1O ZINC001203879213 966806046 /nfs/dbraw/zinc/80/60/46/966806046.db2.gz GYXMVUNOPATOFI-RYUDHWBXSA-N 0 3 249.310 1.566 20 10 BDCDHN CN(C)c1ccc(CN2CC(C)(N(C)C)C2)cc1 ZINC001203937860 966826021 /nfs/dbraw/zinc/82/60/21/966826021.db2.gz VZMLAWIHOVYGJW-UHFFFAOYSA-N 0 3 247.386 1.889 20 10 BDCDHN COc1cc(CN2CC[C@@H](C)C2)cc(O)c1O ZINC001204344071 966976024 /nfs/dbraw/zinc/97/60/24/966976024.db2.gz UYLPWTSEIAUTRR-SECBINFHSA-N 0 3 237.299 1.948 20 10 BDCDHN Cc1ccc(C)c(CN2C[C@@H](F)[C@@H](N)C2)c1O ZINC001204822523 967183556 /nfs/dbraw/zinc/18/35/56/967183556.db2.gz BGSADHGELICPQM-NEPJUHHUSA-N 0 3 238.306 1.490 20 10 BDCDHN C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000401968299 970754574 /nfs/dbraw/zinc/75/45/74/970754574.db2.gz IBLUXNBKZIKOMC-MWLCHTKSSA-N 0 3 207.273 1.659 20 10 BDCDHN Cc1ccc(CN2CC[C@H]3C[C@]32C(N)=O)c(O)c1 ZINC001277569169 977754486 /nfs/dbraw/zinc/75/44/86/977754486.db2.gz WOAYPBINEQDXGM-SMDDNHRTSA-N 0 3 246.310 1.150 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001338445669 978683854 /nfs/dbraw/zinc/68/38/54/978683854.db2.gz GXHNAIOUXJWSDF-ZDUSSCGKSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC001338445669 978683859 /nfs/dbraw/zinc/68/38/59/978683859.db2.gz GXHNAIOUXJWSDF-ZDUSSCGKSA-N 0 3 249.310 1.358 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001204280441 978943239 /nfs/dbraw/zinc/94/32/39/978943239.db2.gz KFINQBIUAPUWIO-BXUZGUMPSA-N 0 3 249.310 1.709 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2OCC[C@@H]2C1 ZINC001204280441 978943244 /nfs/dbraw/zinc/94/32/44/978943244.db2.gz KFINQBIUAPUWIO-BXUZGUMPSA-N 0 3 249.310 1.709 20 10 BDCDHN [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(F)ccc1[O-])C2 ZINC001235154532 978983574 /nfs/dbraw/zinc/98/35/74/978983574.db2.gz GFHQYVXUYSMUKO-GXFFZTMASA-N 0 3 236.290 1.454 20 10 BDCDHN [NH3+][C@@]12C[C@@H]1CN(Cc1cc(Cl)ccc1[O-])C2 ZINC001236015619 979301705 /nfs/dbraw/zinc/30/17/05/979301705.db2.gz NEGDVYKLARXSJU-BXKDBHETSA-N 0 3 238.718 1.579 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1CC[C@H](OC)C1 ZINC001341568513 979473951 /nfs/dbraw/zinc/47/39/51/979473951.db2.gz YYGNHYLFMHKRPH-JTQLQIEISA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1CC[C@H](OC)C1 ZINC001341568513 979473953 /nfs/dbraw/zinc/47/39/53/979473953.db2.gz YYGNHYLFMHKRPH-JTQLQIEISA-N 0 3 237.299 1.622 20 10 BDCDHN COc1cc(C)c(CN2CC(CO)C2)c(O)c1 ZINC001236814951 979744455 /nfs/dbraw/zinc/74/44/55/979744455.db2.gz XVFHGCSUDCIRHS-UHFFFAOYSA-N 0 3 237.299 1.133 20 10 BDCDHN Cc1cccc(O)c1CN1CCCN(C)C(=O)C1 ZINC001237490197 979915547 /nfs/dbraw/zinc/91/55/47/979915547.db2.gz RMRTXHNLGRCDJZ-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237488124 979915864 /nfs/dbraw/zinc/91/58/64/979915864.db2.gz RJFHFLCTUSRISD-SMDDNHRTSA-N 0 3 233.311 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237488124 979915875 /nfs/dbraw/zinc/91/58/75/979915875.db2.gz RJFHFLCTUSRISD-SMDDNHRTSA-N 0 3 233.311 1.921 20 10 BDCDHN Cc1cc(F)cc(C[N@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC001238055732 980131992 /nfs/dbraw/zinc/13/19/92/980131992.db2.gz CPMYPYQMHXFDSJ-BXKDBHETSA-N 0 3 239.290 1.795 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1[O-] ZINC001238055732 980131995 /nfs/dbraw/zinc/13/19/95/980131995.db2.gz CPMYPYQMHXFDSJ-BXKDBHETSA-N 0 3 239.290 1.795 20 10 BDCDHN CC[C@@H](C)C[C@@H](N)C(=O)NCc1ccc(N)cc1 ZINC001356237805 983589046 /nfs/dbraw/zinc/58/90/46/983589046.db2.gz AXPQFUIMNSBWCN-ZWNOBZJWSA-N 0 3 249.358 1.649 20 10 BDCDHN Cc1ccc(C)c(CN2CC3(CCN3C)C2)c1O ZINC001275965317 984746392 /nfs/dbraw/zinc/74/63/92/984746392.db2.gz AVECKMCZZNUYSL-UHFFFAOYSA-N 0 3 246.354 1.899 20 10 BDCDHN CCc1cccc(CN2CCN(C)CC2)c1O ZINC000692107084 985410513 /nfs/dbraw/zinc/41/05/13/985410513.db2.gz BWRNHDBQHOLVSF-UHFFFAOYSA-N 0 3 234.343 1.702 20 10 BDCDHN C[C@H]([NH2+]CCC(=O)N(C)C)c1ccccc1[O-] ZINC000037751511 985842499 /nfs/dbraw/zinc/84/24/99/985842499.db2.gz ZCSNYMUAZPIYKV-JTQLQIEISA-N 0 3 236.315 1.521 20 10 BDCDHN COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001116771992 987705232 /nfs/dbraw/zinc/70/52/32/987705232.db2.gz XUMFJJQFVQDQKZ-VXGBXAGGSA-N 0 3 249.310 1.824 20 10 BDCDHN Cc1ccc(O)c(CN2CCCC[C@H]2C(N)=O)c1 ZINC000162085002 990947235 /nfs/dbraw/zinc/94/72/35/990947235.db2.gz RVHCLRGPQLPCAZ-LBPRGKRZSA-N 0 3 248.326 1.540 20 10 BDCDHN C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC001140055441 991507086 /nfs/dbraw/zinc/50/70/86/991507086.db2.gz YOSGWOWLGOQEBC-JOYOIKCWSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@H]1C[C@H](O)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC001140055441 991507096 /nfs/dbraw/zinc/50/70/96/991507096.db2.gz YOSGWOWLGOQEBC-JOYOIKCWSA-N 0 3 239.290 1.877 20 10 BDCDHN CC(C)[C@H](C[NH2+]Cc1cc(F)ccc1[O-])ON ZINC001575433240 993044322 /nfs/dbraw/zinc/04/43/22/993044322.db2.gz MJFRTALIISZTKW-LBPRGKRZSA-N 0 3 242.294 1.536 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)[C@H](C)CO)cc1C ZINC000289473931 178194752 /nfs/dbraw/zinc/19/47/52/178194752.db2.gz PUNBPTHWLOEYEX-LLVKDONJSA-N 0 3 223.316 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)[C@H](C)CO)cc1C ZINC000289473931 178194753 /nfs/dbraw/zinc/19/47/53/178194753.db2.gz PUNBPTHWLOEYEX-LLVKDONJSA-N 0 3 223.316 1.822 20 10 BDCDHN Cc1cc(O)c(CNCc2cnnn2C)cc1C ZINC000288354714 178197110 /nfs/dbraw/zinc/19/71/10/178197110.db2.gz CLPWDMWIXVBLMJ-UHFFFAOYSA-N 0 3 246.314 1.427 20 10 BDCDHN CN(C)c1ccc(CN(CCO)C2CC2)cc1 ZINC000133103849 398341381 /nfs/dbraw/zinc/34/13/81/398341381.db2.gz BAUKKRUFJKUESU-UHFFFAOYSA-N 0 3 234.343 1.709 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1[O-] ZINC000036977395 343329405 /nfs/dbraw/zinc/32/94/05/343329405.db2.gz OQROCBIXQYSZNS-ZYHUDNBSSA-N 0 3 248.326 1.712 20 10 BDCDHN CC[C@H]([NH2+]C[C@H](C)O)c1ccccc1[O-] ZINC000035601761 343298891 /nfs/dbraw/zinc/29/88/91/343298891.db2.gz GLPQHFJETHNBNS-ONGXEEELSA-N 0 3 209.289 1.814 20 10 BDCDHN COc1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000092764289 343784920 /nfs/dbraw/zinc/78/49/20/343784920.db2.gz XYEWNBROQCPQAN-SNVBAGLBSA-N 0 3 237.299 1.215 20 10 BDCDHN COc1cccc(C[N@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000092764289 343784922 /nfs/dbraw/zinc/78/49/22/343784922.db2.gz XYEWNBROQCPQAN-SNVBAGLBSA-N 0 3 237.299 1.215 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000272568235 179081469 /nfs/dbraw/zinc/08/14/69/179081469.db2.gz VHBPEGLBXDRAEN-RYUDHWBXSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H]([C@H](C)O)C2)c1[O-] ZINC000272568235 179081470 /nfs/dbraw/zinc/08/14/70/179081470.db2.gz VHBPEGLBXDRAEN-RYUDHWBXSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[NH2+]CCc2cnn(C)c2)c1[O-] ZINC000124721333 179091684 /nfs/dbraw/zinc/09/16/84/179091684.db2.gz HQMHKIRHDWBHPX-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H](C)CCCO)c1[O-] ZINC000162871125 179096254 /nfs/dbraw/zinc/09/62/54/179096254.db2.gz CNYMVTRAUMSNSG-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN CC1(C)C[N@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000280482207 351846691 /nfs/dbraw/zinc/84/66/91/351846691.db2.gz OCUNZFHKZINSDQ-LBPRGKRZSA-N 0 3 221.300 1.595 20 10 BDCDHN CC1(C)C[N@@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000280482207 351846692 /nfs/dbraw/zinc/84/66/92/351846692.db2.gz OCUNZFHKZINSDQ-LBPRGKRZSA-N 0 3 221.300 1.595 20 10 BDCDHN CCN(Cc1cc(C)ccc1O)[C@@H]1CCNC1=O ZINC000281894265 351914948 /nfs/dbraw/zinc/91/49/48/351914948.db2.gz YOBBMOJXIACCRI-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)CC2 ZINC000296979814 353837926 /nfs/dbraw/zinc/83/79/26/353837926.db2.gz RWZFEWREFMRIKD-UHTWSYAYSA-N 0 3 245.322 1.906 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000375289622 183302621 /nfs/dbraw/zinc/30/26/21/183302621.db2.gz XEWGMMQNRVEDAC-LBPRGKRZSA-N 0 3 219.284 1.349 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000375289622 183302624 /nfs/dbraw/zinc/30/26/24/183302624.db2.gz XEWGMMQNRVEDAC-LBPRGKRZSA-N 0 3 219.284 1.349 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCOC1 ZINC000037738031 183303735 /nfs/dbraw/zinc/30/37/35/183303735.db2.gz AUFJXIPUDALONE-JTQLQIEISA-N 0 3 207.273 1.518 20 10 BDCDHN CCCN(Cc1ccccc1[O-])[C@@H]1CC[NH2+]C1 ZINC000071314716 169178632 /nfs/dbraw/zinc/17/86/32/169178632.db2.gz CNQSVLXFNOKJTI-CYBMUJFWSA-N 0 3 234.343 1.966 20 10 BDCDHN CCCOc1ccc(C[N@H+](C)CCO)c([O-])c1 ZINC000270992230 169318673 /nfs/dbraw/zinc/31/86/73/169318673.db2.gz IMURXSSDIUEHHM-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCCOc1ccc(C[N@@H+](C)CCO)c([O-])c1 ZINC000270992230 169318674 /nfs/dbraw/zinc/31/86/74/169318674.db2.gz IMURXSSDIUEHHM-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)CCCO)c1 ZINC000087358807 383827734 /nfs/dbraw/zinc/82/77/34/383827734.db2.gz UPHVBBLCZFWPJF-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000296224275 383979416 /nfs/dbraw/zinc/97/94/16/383979416.db2.gz ZXIAQPFFUPNMQR-QWRGUYRKSA-N 0 3 221.300 1.740 20 10 BDCDHN CC[C@@H](CO)NCc1ccc(N(C)C)c(F)c1 ZINC000113312236 383977023 /nfs/dbraw/zinc/97/70/23/383977023.db2.gz UWXJAACQCFROAE-NSHDSACASA-N 0 3 240.322 1.752 20 10 BDCDHN CN(Cc1cnc[nH]1)Cc1ccccc1O ZINC000091956770 384157532 /nfs/dbraw/zinc/15/75/32/384157532.db2.gz LAGLCFQZLOZQCH-UHFFFAOYSA-N 0 3 217.272 1.747 20 10 BDCDHN CN(Cc1ccccc1O)[C@H]1CCCCNC1=O ZINC000119948171 384319254 /nfs/dbraw/zinc/31/92/54/384319254.db2.gz ORHOMOHLUAKJJU-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN CC[C@H](CO)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020196167 384595346 /nfs/dbraw/zinc/59/53/46/384595346.db2.gz GWSXSDQVXBPGMQ-SNVBAGLBSA-N 0 3 225.288 1.261 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000083216066 384752493 /nfs/dbraw/zinc/75/24/93/384752493.db2.gz XZLJDFQLWLQPHY-WDEREUQCSA-N 0 3 223.316 1.980 20 10 BDCDHN COC[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000234837982 384883397 /nfs/dbraw/zinc/88/33/97/384883397.db2.gz WHBSTPBZUBAACS-SCZZXKLOSA-N 0 3 243.278 1.189 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H](C)C[S@@](C)=O)c1[O-] ZINC000164410288 384981432 /nfs/dbraw/zinc/98/14/32/384981432.db2.gz XZLIAZLAGMVDIL-QFYYESIMSA-N 0 3 241.356 1.557 20 10 BDCDHN C[C@@H]([NH2+]CCCO)c1cc(F)ccc1[O-] ZINC000087111338 385074559 /nfs/dbraw/zinc/07/45/59/385074559.db2.gz PFBZQRCQDKDGDM-MRVPVSSYSA-N 0 3 213.252 1.564 20 10 BDCDHN CCOc1cccc(C[N@H+](C)C[C@@H](C)O)c1[O-] ZINC000130717896 385279156 /nfs/dbraw/zinc/27/91/56/385279156.db2.gz VLALTXAQQJZBGT-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1cccc(C[N@@H+](C)C[C@@H](C)O)c1[O-] ZINC000130717896 385279162 /nfs/dbraw/zinc/27/91/62/385279162.db2.gz VLALTXAQQJZBGT-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COC(=O)[C@@H](C)C[N@H+](C)Cc1ccccc1[O-] ZINC000179561075 385474517 /nfs/dbraw/zinc/47/45/17/385474517.db2.gz HUTHAPJQIZLUPV-JTQLQIEISA-N 0 3 237.299 1.633 20 10 BDCDHN COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccccc1[O-] ZINC000179561075 385474519 /nfs/dbraw/zinc/47/45/19/385474519.db2.gz HUTHAPJQIZLUPV-JTQLQIEISA-N 0 3 237.299 1.633 20 10 BDCDHN C[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180244727 385516164 /nfs/dbraw/zinc/51/61/64/385516164.db2.gz YXVWMSDCOKTGFJ-GFCCVEGCSA-N 0 3 225.263 1.488 20 10 BDCDHN C[C@@]1(O)CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180244727 385516168 /nfs/dbraw/zinc/51/61/68/385516168.db2.gz YXVWMSDCOKTGFJ-GFCCVEGCSA-N 0 3 225.263 1.488 20 10 BDCDHN C[C@@H](CO)CCC[NH2+]Cc1ccccc1[O-] ZINC000230161385 385715067 /nfs/dbraw/zinc/71/50/67/385715067.db2.gz KHWLMAUGZHFKHA-LLVKDONJSA-N 0 3 223.316 1.890 20 10 BDCDHN CC[N@H+](CCCO)Cc1ccccc1[O-] ZINC000272263878 385889228 /nfs/dbraw/zinc/88/92/28/385889228.db2.gz KLPKMGIWQQCBTA-UHFFFAOYSA-N 0 3 209.289 1.597 20 10 BDCDHN CC[N@@H+](CCCO)Cc1ccccc1[O-] ZINC000272263878 385889233 /nfs/dbraw/zinc/88/92/33/385889233.db2.gz KLPKMGIWQQCBTA-UHFFFAOYSA-N 0 3 209.289 1.597 20 10 BDCDHN C[C@@]1(C(N)=O)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000235382464 386161970 /nfs/dbraw/zinc/16/19/70/386161970.db2.gz KOOVJLXEHONQIN-CYBMUJFWSA-N 0 3 234.299 1.090 20 10 BDCDHN C[C@@]1(C(N)=O)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000235382464 386161975 /nfs/dbraw/zinc/16/19/75/386161975.db2.gz KOOVJLXEHONQIN-CYBMUJFWSA-N 0 3 234.299 1.090 20 10 BDCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@@H](C)CO)c1 ZINC000289408165 386298712 /nfs/dbraw/zinc/29/87/12/386298712.db2.gz HMRVSUMVJUCBLK-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@@H](C)CO)c1 ZINC000289408165 386298716 /nfs/dbraw/zinc/29/87/16/386298716.db2.gz HMRVSUMVJUCBLK-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN C[C@@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](C)CO ZINC000226611398 386344384 /nfs/dbraw/zinc/34/43/84/386344384.db2.gz SEQZRDZYCLQGEL-RKDXNWHRSA-N 0 3 227.279 1.638 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCC[C@@H](C)O)c1 ZINC000227952030 386523972 /nfs/dbraw/zinc/52/39/72/386523972.db2.gz NNIQNFQNPIBZAY-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN CC[C@@H](CO)[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000295074398 386692409 /nfs/dbraw/zinc/69/24/09/386692409.db2.gz HSBJFKIFYCWBOK-LBPRGKRZSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[C@@H](CO)[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000295074398 386692413 /nfs/dbraw/zinc/69/24/13/386692413.db2.gz HSBJFKIFYCWBOK-LBPRGKRZSA-N 0 3 223.316 1.903 20 10 BDCDHN CO[C@@H](C)C[NH2+]Cc1cc(C)ccc1[O-] ZINC000191205071 386776304 /nfs/dbraw/zinc/77/63/04/386776304.db2.gz DPOQFEUKSBWGDX-JTQLQIEISA-N 0 3 209.289 1.825 20 10 BDCDHN CO[C@H](C)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000191204963 386776631 /nfs/dbraw/zinc/77/66/31/386776631.db2.gz JZFJEBNIGVOGFO-MRVPVSSYSA-N 0 3 213.252 1.656 20 10 BDCDHN CC[C@@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000289984255 387107031 /nfs/dbraw/zinc/10/70/31/387107031.db2.gz ZZAYYBAPPFUZAN-NSHDSACASA-N 0 3 209.289 1.907 20 10 BDCDHN CC[C@H]([NH2+]Cc1cnnn1C)c1ccccc1[O-] ZINC000287386006 387423413 /nfs/dbraw/zinc/42/34/13/387423413.db2.gz PUGIBNPODSIOBZ-LBPRGKRZSA-N 0 3 246.314 1.762 20 10 BDCDHN CC[C@@H]([NH2+]Cc1cnnn1C)c1ccccc1[O-] ZINC000287386002 387423913 /nfs/dbraw/zinc/42/39/13/387423913.db2.gz PUGIBNPODSIOBZ-GFCCVEGCSA-N 0 3 246.314 1.762 20 10 BDCDHN C[C@@H](C[S@](C)=O)N(C)Cc1ccccc1O ZINC000185225744 387954516 /nfs/dbraw/zinc/95/45/16/387954516.db2.gz ZTYJFTVAIDKKCO-QFYYESIMSA-N 0 3 241.356 1.591 20 10 BDCDHN C[C@@H](CCO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297529341 388429822 /nfs/dbraw/zinc/42/98/22/388429822.db2.gz DLRNSVXYGKQESH-CMPLNLGQSA-N 0 3 235.327 1.988 20 10 BDCDHN CC(C)[C@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297613960 388430931 /nfs/dbraw/zinc/43/09/31/388430931.db2.gz IREDGLKZDKQTQM-DGCLKSJQSA-N 0 3 235.327 1.986 20 10 BDCDHN [O-]c1ccccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530176746 388621179 /nfs/dbraw/zinc/62/11/79/388621179.db2.gz LKBCUMBYYHKLLI-CYBMUJFWSA-N 0 3 232.327 1.766 20 10 BDCDHN C[C@@H](CCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226610776 388723611 /nfs/dbraw/zinc/72/36/11/388723611.db2.gz HIZCABKDXDERCD-QMMMGPOBSA-N 0 3 213.252 1.392 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000179576694 134321823 /nfs/dbraw/zinc/32/18/23/134321823.db2.gz YMEMADFBWPJJQW-NNQSOWQGSA-N 0 3 247.338 1.985 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000179576694 134321824 /nfs/dbraw/zinc/32/18/24/134321824.db2.gz YMEMADFBWPJJQW-NNQSOWQGSA-N 0 3 247.338 1.985 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@]1(O)CCOC1)CC2 ZINC000297092009 135380317 /nfs/dbraw/zinc/38/03/17/135380317.db2.gz XHHOBYKQPULUJF-SMDDNHRTSA-N 0 3 249.310 1.121 20 10 BDCDHN CC(C)NC(=O)CNCc1ccc(N(C)C)cc1 ZINC000035136003 167058405 /nfs/dbraw/zinc/05/84/05/167058405.db2.gz SFPCUISFOWLSJF-UHFFFAOYSA-N 0 3 249.358 1.367 20 10 BDCDHN CC1(C)[C@H](O)C[C@H]1NCc1ccc2c(c1)CCO2 ZINC000129578425 168008945 /nfs/dbraw/zinc/00/89/45/168008945.db2.gz ZCALMRZPUBUJTQ-ZIAGYGMSSA-N 0 3 247.338 1.871 20 10 BDCDHN CC1(O)CC[NH+](Cc2cc(F)ccc2[O-])CC1 ZINC000180165700 168066730 /nfs/dbraw/zinc/06/67/30/168066730.db2.gz DTNCFPAZFDIYPR-UHFFFAOYSA-N 0 3 239.290 1.878 20 10 BDCDHN CCN1CC[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000037643899 170017121 /nfs/dbraw/zinc/01/71/21/170017121.db2.gz VXZHJJGOGFXZEK-GFCCVEGCSA-N 0 3 234.343 1.824 20 10 BDCDHN CC[C@H](C(=O)NCc1ccccc1O)N(C)C ZINC000269138051 171230623 /nfs/dbraw/zinc/23/06/23/171230623.db2.gz KYBBCXDIAQQXLN-LLVKDONJSA-N 0 3 236.315 1.349 20 10 BDCDHN CNC(=O)C[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000299283226 173280537 /nfs/dbraw/zinc/28/05/37/173280537.db2.gz DHAURQKSXVHDMI-LLVKDONJSA-N 0 3 249.358 1.367 20 10 BDCDHN COCCN(C)Cc1cc(OC)ccc1O ZINC000132706658 174279925 /nfs/dbraw/zinc/27/99/25/174279925.db2.gz ZFANBNJGSFTJCE-UHFFFAOYSA-N 0 3 225.288 1.479 20 10 BDCDHN COCCN(C)Cc1ccc(N(C)C)cc1 ZINC000053401441 174280211 /nfs/dbraw/zinc/28/02/11/174280211.db2.gz RBNUCZUYQMPDJG-UHFFFAOYSA-N 0 3 222.332 1.831 20 10 BDCDHN COc1ccc(CN[C@@H](C)CO)cc1C ZINC000037258694 175109514 /nfs/dbraw/zinc/10/95/14/175109514.db2.gz HIHHVUZEXSXNQO-JTQLQIEISA-N 0 3 209.289 1.474 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000367802726 175158183 /nfs/dbraw/zinc/15/81/83/175158183.db2.gz VCSHBSJSNJYQIV-ITGUQSILSA-N 0 3 249.310 1.071 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000367802726 175158184 /nfs/dbraw/zinc/15/81/84/175158184.db2.gz VCSHBSJSNJYQIV-ITGUQSILSA-N 0 3 249.310 1.071 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)C(C)C)c1 ZINC000164696636 175158702 /nfs/dbraw/zinc/15/87/02/175158702.db2.gz LZQOXKWXVRTJAS-ZDUSSCGKSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC2(C)COC2)c1 ZINC000094721957 175159204 /nfs/dbraw/zinc/15/92/04/175159204.db2.gz DGRRWYJESOUZRZ-UHFFFAOYSA-N 0 3 237.299 1.527 20 10 BDCDHN COc1cccc(C[N@@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000180194990 175260249 /nfs/dbraw/zinc/26/02/49/175260249.db2.gz DFIZANLURKSGNK-ZDUSSCGKSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc(C[N@H+]2CC[C@](C)(O)C2)c1[O-] ZINC000180194990 175260250 /nfs/dbraw/zinc/26/02/50/175260250.db2.gz DFIZANLURKSGNK-ZDUSSCGKSA-N 0 3 237.299 1.358 20 10 BDCDHN C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccccc1[O-] ZINC000377825474 176050298 /nfs/dbraw/zinc/05/02/98/176050298.db2.gz CBLCOWDAIZQUBP-SNVBAGLBSA-N 0 3 234.299 1.103 20 10 BDCDHN C[C@@H]1CC(=O)NCC[N@H+]1Cc1ccccc1[O-] ZINC000377825474 176050300 /nfs/dbraw/zinc/05/03/00/176050300.db2.gz CBLCOWDAIZQUBP-SNVBAGLBSA-N 0 3 234.299 1.103 20 10 BDCDHN C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000292888401 177335611 /nfs/dbraw/zinc/33/56/11/177335611.db2.gz YOSGWOWLGOQEBC-CABZTGNLSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@H]1C[C@@H](O)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000292888401 177335612 /nfs/dbraw/zinc/33/56/12/177335612.db2.gz YOSGWOWLGOQEBC-CABZTGNLSA-N 0 3 239.290 1.877 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])CC(C)(C)CO ZINC000294766636 488024331 /nfs/dbraw/zinc/02/43/31/488024331.db2.gz JRXPFICBGJMXAV-UHFFFAOYSA-N 0 3 223.316 1.843 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])CC(C)(C)CO ZINC000294766636 488024337 /nfs/dbraw/zinc/02/43/37/488024337.db2.gz JRXPFICBGJMXAV-UHFFFAOYSA-N 0 3 223.316 1.843 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCc2cnn(C)c2)c1 ZINC000083552052 491126504 /nfs/dbraw/zinc/12/65/04/491126504.db2.gz YXWMNABKYDUXDM-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN C[NH2+]C[C@H](C)NCc1cccc(Cl)c1[O-] ZINC000853248281 588729130 /nfs/dbraw/zinc/72/91/30/588729130.db2.gz CVACAEBEKNKVHV-QMMMGPOBSA-N 0 3 228.723 1.743 20 10 BDCDHN CNC[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000853248281 588729131 /nfs/dbraw/zinc/72/91/31/588729131.db2.gz CVACAEBEKNKVHV-QMMMGPOBSA-N 0 3 228.723 1.743 20 10 BDCDHN [O-]c1cccc2c1[C@H](NCC13CC(C1)C[NH2+]3)CC2 ZINC000854226185 588780614 /nfs/dbraw/zinc/78/06/14/588780614.db2.gz DSOCYVCBVGALLL-WBFHCKIUSA-N 0 3 244.338 1.721 20 10 BDCDHN C[NH2+][C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000219383570 583175246 /nfs/dbraw/zinc/17/52/46/583175246.db2.gz DJVYJILVSFCEDN-NSHDSACASA-N 0 3 224.279 1.325 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])C[C@H]1CO ZINC000857061318 588884593 /nfs/dbraw/zinc/88/45/93/588884593.db2.gz OIGGLOUYIHGJDY-AAEUAGOBSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C[C@H]1CO ZINC000857061318 588884594 /nfs/dbraw/zinc/88/45/94/588884594.db2.gz OIGGLOUYIHGJDY-AAEUAGOBSA-N 0 3 235.327 1.843 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)C[S@@](C)=O)c([O-])c1 ZINC000877311337 583311672 /nfs/dbraw/zinc/31/16/72/583311672.db2.gz VUJHZZQRXFOGIF-QLJPJBMISA-N 0 3 241.356 1.557 20 10 BDCDHN COc1cc(C)cc(C[NH2+]CCCCO)c1[O-] ZINC000894580873 583488384 /nfs/dbraw/zinc/48/83/84/583488384.db2.gz XOHQFYHBAWCVMX-UHFFFAOYSA-N 0 3 239.315 1.571 20 10 BDCDHN CC1=NO[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000895312075 583647369 /nfs/dbraw/zinc/64/73/69/583647369.db2.gz TXQYPIBOMMLBSY-NSHDSACASA-N 0 3 220.272 1.647 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647329 583698711 /nfs/dbraw/zinc/69/87/11/583698711.db2.gz KGMAGGWWPYRVAZ-AAEUAGOBSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647329 583698713 /nfs/dbraw/zinc/69/87/13/583698713.db2.gz KGMAGGWWPYRVAZ-AAEUAGOBSA-N 0 3 219.284 1.267 20 10 BDCDHN CCN1CC[C@@H]1C[NH2+]Cc1c(C)cccc1[O-] ZINC000895671767 583706998 /nfs/dbraw/zinc/70/69/98/583706998.db2.gz OGOJJUUUSWDUIW-GFCCVEGCSA-N 0 3 234.343 1.884 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897681366 584038883 /nfs/dbraw/zinc/03/88/83/584038883.db2.gz SQYCQZDEEOPFET-TVQRCGJNSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897681366 584038884 /nfs/dbraw/zinc/03/88/84/584038884.db2.gz SQYCQZDEEOPFET-TVQRCGJNSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897681367 584039516 /nfs/dbraw/zinc/03/95/16/584039516.db2.gz SQYCQZDEEOPFET-ZANVPECISA-N 0 3 237.299 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897681367 584039517 /nfs/dbraw/zinc/03/95/17/584039517.db2.gz SQYCQZDEEOPFET-ZANVPECISA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897683792 584040467 /nfs/dbraw/zinc/04/04/67/584040467.db2.gz GXIMLUQHBPNXFB-MWLCHTKSSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897683792 584040469 /nfs/dbraw/zinc/04/04/69/584040469.db2.gz GXIMLUQHBPNXFB-MWLCHTKSSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897683793 584040645 /nfs/dbraw/zinc/04/06/45/584040645.db2.gz GXIMLUQHBPNXFB-ONGXEEELSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897683793 584040646 /nfs/dbraw/zinc/04/06/46/584040646.db2.gz GXIMLUQHBPNXFB-ONGXEEELSA-N 0 3 237.299 1.213 20 10 BDCDHN [NH3+]CC[C@H](NCc1cc(F)ccc1[O-])C(F)F ZINC000841074404 584696705 /nfs/dbraw/zinc/69/67/05/584696705.db2.gz PMAFEBRYCDAJNL-VIFPVBQESA-N 0 3 248.248 1.603 20 10 BDCDHN C[C@@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817972237 584993791 /nfs/dbraw/zinc/99/37/91/584993791.db2.gz KLTCAIXGKILTEB-SFYZADRCSA-N 0 3 212.268 1.529 20 10 BDCDHN COCCOC[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000742377606 585125532 /nfs/dbraw/zinc/12/55/32/585125532.db2.gz WFPZJBKAZDSPMJ-NSHDSACASA-N 0 3 239.315 1.533 20 10 BDCDHN CC(C)N(C)CC(=O)NCc1ccccc1O ZINC000748347413 585190948 /nfs/dbraw/zinc/19/09/48/585190948.db2.gz ZKOVUHZEBYBTPV-UHFFFAOYSA-N 0 3 236.315 1.349 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768443970 585538766 /nfs/dbraw/zinc/53/87/66/585538766.db2.gz KEISHHWBFQAHRR-RNCFNFMXSA-N 0 3 249.310 1.660 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@@H]3O)C1 ZINC000768443970 585538767 /nfs/dbraw/zinc/53/87/67/585538767.db2.gz KEISHHWBFQAHRR-RNCFNFMXSA-N 0 3 249.310 1.660 20 10 BDCDHN CC[N@H+](CCCO)Cc1c([O-])cccc1OC ZINC000769484757 585556614 /nfs/dbraw/zinc/55/66/14/585556614.db2.gz YPXBDDZBZTUIIM-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CC[N@@H+](CCCO)Cc1c([O-])cccc1OC ZINC000769484757 585556615 /nfs/dbraw/zinc/55/66/15/585556615.db2.gz YPXBDDZBZTUIIM-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccccc1[O-] ZINC000775985863 585688324 /nfs/dbraw/zinc/68/83/24/585688324.db2.gz PGZKXTOGCMQLMF-NWDGAFQWSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@@H]1[C@H](C)N(C)CC[N@@H+]1Cc1ccccc1[O-] ZINC000775985863 585688325 /nfs/dbraw/zinc/68/83/25/585688325.db2.gz PGZKXTOGCMQLMF-NWDGAFQWSA-N 0 3 234.343 1.917 20 10 BDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@H]1C ZINC000787420564 585909229 /nfs/dbraw/zinc/90/92/29/585909229.db2.gz IYECOHSCTKIPNA-CMPLNLGQSA-N 0 3 249.310 1.776 20 10 BDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@H]1C ZINC000787420564 585909230 /nfs/dbraw/zinc/90/92/30/585909230.db2.gz IYECOHSCTKIPNA-CMPLNLGQSA-N 0 3 249.310 1.776 20 10 BDCDHN C[C@@H](C[NH+](C)C)NC(=O)c1cc([O-])cs1 ZINC000807777986 586448659 /nfs/dbraw/zinc/44/86/59/586448659.db2.gz QOFHWCHPHCOBRG-ZETCQYMHSA-N 0 3 228.317 1.134 20 10 BDCDHN C[C@@H](CN(C)C)NC(=O)C1=CC(=O)CS1 ZINC000807777986 586448661 /nfs/dbraw/zinc/44/86/61/586448661.db2.gz QOFHWCHPHCOBRG-ZETCQYMHSA-N 0 3 228.317 1.134 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)[C@@H](C)CO ZINC000809742560 586515891 /nfs/dbraw/zinc/51/58/91/586515891.db2.gz DDOOZHSCTKEYTQ-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)[C@@H](C)CO ZINC000809742560 586515892 /nfs/dbraw/zinc/51/58/92/586515892.db2.gz DDOOZHSCTKEYTQ-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN NC(=O)CC1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000817411509 586801937 /nfs/dbraw/zinc/80/19/37/586801937.db2.gz SPXIYXUSKMESFB-UHFFFAOYSA-N 0 3 234.299 1.137 20 10 BDCDHN C[C@H]([NH2+]CCCN)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817938985 586844455 /nfs/dbraw/zinc/84/44/55/586844455.db2.gz WXVKOMYHCXGZRL-QMMMGPOBSA-N 0 3 239.275 1.300 20 10 BDCDHN C[C@H](NCCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817938985 586844456 /nfs/dbraw/zinc/84/44/56/586844456.db2.gz WXVKOMYHCXGZRL-QMMMGPOBSA-N 0 3 239.275 1.300 20 10 BDCDHN C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1[O-] ZINC000817944562 586845934 /nfs/dbraw/zinc/84/59/34/586845934.db2.gz GZWQSMVUSHXFHV-NXEZZACHSA-N 0 3 206.289 1.405 20 10 BDCDHN CC[NH2+]CCN[C@@H](C)c1cc(F)ccc1[O-] ZINC000817951979 586848051 /nfs/dbraw/zinc/84/80/51/586848051.db2.gz MJQRQAZMDYCTIT-VIFPVBQESA-N 0 3 226.295 1.791 20 10 BDCDHN C[C@H](NC[C@H]1CCC[NH2+]1)c1ccccc1[O-] ZINC000817953308 586848528 /nfs/dbraw/zinc/84/85/28/586848528.db2.gz ZTIDAOBFFIIORT-WDEREUQCSA-N 0 3 220.316 1.795 20 10 BDCDHN C[C@@H](NCCc1ccc(N)cc1)c1ncc[nH]1 ZINC000817956758 586850591 /nfs/dbraw/zinc/85/05/91/586850591.db2.gz CEZXVQSHYVOATR-SNVBAGLBSA-N 0 3 230.315 1.885 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H](C)CN)c1cc(F)cc(F)c1[O-] ZINC000817961663 586852638 /nfs/dbraw/zinc/85/26/38/586852638.db2.gz BXTVQJUKHQXSBW-JGVFFNPUSA-N 0 3 244.285 1.916 20 10 BDCDHN C[C@H](CN)C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817961662 586852937 /nfs/dbraw/zinc/85/29/37/586852937.db2.gz BXTVQJUKHQXSBW-HTQZYQBOSA-N 0 3 244.285 1.916 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](N)C1CC1)c1cc(F)ccc1[O-] ZINC000817965963 586854631 /nfs/dbraw/zinc/85/46/31/586854631.db2.gz XSUNLGJHIFGGPC-PELKAZGASA-N 0 3 238.306 1.919 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@@H](C)CN)c([O-])c1 ZINC000817970077 586856413 /nfs/dbraw/zinc/85/64/13/586856413.db2.gz KXZSUOZHJSOMTJ-UWVGGRQHSA-N 0 3 208.305 1.698 20 10 BDCDHN CC[C@H](N)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000817979279 586862276 /nfs/dbraw/zinc/86/22/76/586862276.db2.gz JMLJGCGPIZNPGV-SCZZXKLOSA-N 0 3 226.295 1.919 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818358336 586888713 /nfs/dbraw/zinc/88/87/13/586888713.db2.gz WARWOVIHXGDSIW-XTWCZFFVSA-N 0 3 237.299 1.575 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)O1 ZINC000821390903 587116056 /nfs/dbraw/zinc/11/60/56/587116056.db2.gz FRVUHOANXWLDGQ-LLVKDONJSA-N 0 3 235.283 1.530 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC(=O)O1 ZINC000821390903 587116058 /nfs/dbraw/zinc/11/60/58/587116058.db2.gz FRVUHOANXWLDGQ-LLVKDONJSA-N 0 3 235.283 1.530 20 10 BDCDHN COc1cccc(CN2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827292688 587375652 /nfs/dbraw/zinc/37/56/52/587375652.db2.gz RQOCYHRHKGAFDZ-SMDDNHRTSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827292688 587375653 /nfs/dbraw/zinc/37/56/53/587375653.db2.gz RQOCYHRHKGAFDZ-SMDDNHRTSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1[O-] ZINC000827292688 587375654 /nfs/dbraw/zinc/37/56/54/587375654.db2.gz RQOCYHRHKGAFDZ-SMDDNHRTSA-N 0 3 249.310 1.358 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@]1(C)CO ZINC000827700458 587397671 /nfs/dbraw/zinc/39/76/71/587397671.db2.gz UKCZMKMPXNKFOI-BXUZGUMPSA-N 0 3 235.327 1.843 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@]1(C)CO ZINC000827700458 587397672 /nfs/dbraw/zinc/39/76/72/587397672.db2.gz UKCZMKMPXNKFOI-BXUZGUMPSA-N 0 3 235.327 1.843 20 10 BDCDHN CCc1cccc(C[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000827833317 587404679 /nfs/dbraw/zinc/40/46/79/587404679.db2.gz XEZRYJMLCMSVSR-HAQNSBGRSA-N 0 3 221.300 1.568 20 10 BDCDHN CN(C)c1ccc(/C=C/CN2CC[C@H](O)C2)cc1 ZINC000835026147 587779075 /nfs/dbraw/zinc/77/90/75/587779075.db2.gz QUAKIVKVTBXTKM-BWPKMQGJSA-N 0 3 246.354 1.832 20 10 BDCDHN CN(C)c1ccc(/C=C\CN2CC[C@@H](O)C2)cc1 ZINC000835026146 587779128 /nfs/dbraw/zinc/77/91/28/587779128.db2.gz QUAKIVKVTBXTKM-ABCZVMIZSA-N 0 3 246.354 1.832 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1[O-] ZINC000835061142 587780008 /nfs/dbraw/zinc/78/00/08/587780008.db2.gz QGFLAKXMNHZZFQ-AWEZNQCLSA-N 0 3 248.326 1.459 20 10 BDCDHN CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000840824848 587923828 /nfs/dbraw/zinc/92/38/28/587923828.db2.gz QFSQDXWWDBEWHG-SUZMYJTESA-N 0 3 237.299 1.457 20 10 BDCDHN Cc1cc(N(C)C)ccc1CN1CCN(C)CC1 ZINC000840907338 587928560 /nfs/dbraw/zinc/92/85/60/587928560.db2.gz CPEIUSYFGAYFPN-UHFFFAOYSA-N 0 3 247.386 1.808 20 10 BDCDHN C[NH2+]CCCNCc1c([O-])cccc1OC ZINC000841042673 587935514 /nfs/dbraw/zinc/93/55/14/587935514.db2.gz PKQLEDRUHQBVLE-UHFFFAOYSA-N 0 3 224.304 1.100 20 10 BDCDHN CCCC[C@@H](CN)[NH2+]Cc1ccccc1[O-] ZINC000841029812 587936068 /nfs/dbraw/zinc/93/60/68/587936068.db2.gz SMTGYQLBBWKKKP-LBPRGKRZSA-N 0 3 222.332 1.999 20 10 BDCDHN CCCC[C@H](CN)[NH2+]Cc1ccccc1[O-] ZINC000841029811 587936331 /nfs/dbraw/zinc/93/63/31/587936331.db2.gz SMTGYQLBBWKKKP-GFCCVEGCSA-N 0 3 222.332 1.999 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](CN)C2CC2)c1 ZINC000841027774 587936397 /nfs/dbraw/zinc/93/63/97/587936397.db2.gz FXVQMQJGRDOLAB-LBPRGKRZSA-N 0 3 220.316 1.528 20 10 BDCDHN [O-]c1cccc(Cl)c1CNC1CC[NH2+]CC1 ZINC000841027191 587936430 /nfs/dbraw/zinc/93/64/30/587936430.db2.gz ZITRBNIJOPKUNR-UHFFFAOYSA-N 0 3 240.734 1.887 20 10 BDCDHN CC(C)(N)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841031591 587936554 /nfs/dbraw/zinc/93/65/54/587936554.db2.gz XJJVZIPATCXRJV-UHFFFAOYSA-N 0 3 212.268 1.358 20 10 BDCDHN CC(C)([NH3+])CNCc1cccc(F)c1[O-] ZINC000841031591 587936555 /nfs/dbraw/zinc/93/65/55/587936555.db2.gz XJJVZIPATCXRJV-UHFFFAOYSA-N 0 3 212.268 1.358 20 10 BDCDHN Cc1c[nH]nc1CNCCc1ccc(N)cc1 ZINC000841037548 587937646 /nfs/dbraw/zinc/93/76/46/587937646.db2.gz AJSVNTFTGWTQFM-UHFFFAOYSA-N 0 3 230.315 1.633 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN[C@H]1CC[NH2+]C1 ZINC000841045466 587939370 /nfs/dbraw/zinc/93/93/70/587939370.db2.gz WDGVSQDHAIAOHO-JTQLQIEISA-N 0 3 226.707 1.497 20 10 BDCDHN C[C@H](CN)C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841050201 587940003 /nfs/dbraw/zinc/94/00/03/587940003.db2.gz ZRIDKBJJUJGVJY-SSDOTTSWSA-N 0 3 246.713 1.869 20 10 BDCDHN C[C@@H]1CNCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841062598 587942201 /nfs/dbraw/zinc/94/22/01/587942201.db2.gz AWKYRBZSGXDTNV-BXKDBHETSA-N 0 3 238.306 1.619 20 10 BDCDHN CC[C@@H]([NH3+])CNCc1c([O-])cccc1Cl ZINC000841071334 587942817 /nfs/dbraw/zinc/94/28/17/587942817.db2.gz DECIXAQDMAQPMS-MRVPVSSYSA-N 0 3 228.723 1.873 20 10 BDCDHN CC[C@@H](N)C[NH2+]Cc1c([O-])cccc1Cl ZINC000841071334 587942822 /nfs/dbraw/zinc/94/28/22/587942822.db2.gz DECIXAQDMAQPMS-MRVPVSSYSA-N 0 3 228.723 1.873 20 10 BDCDHN CC[C@@H](N)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841070209 587943100 /nfs/dbraw/zinc/94/31/00/587943100.db2.gz MQNDACOYDJVLMZ-SNVBAGLBSA-N 0 3 228.723 1.873 20 10 BDCDHN CC[C@@H]([NH3+])CNCc1cc(Cl)ccc1[O-] ZINC000841070209 587943102 /nfs/dbraw/zinc/94/31/02/587943102.db2.gz MQNDACOYDJVLMZ-SNVBAGLBSA-N 0 3 228.723 1.873 20 10 BDCDHN CC1(C)[NH2+]CC[C@@H]1NCc1ccccc1[O-] ZINC000841085550 587945390 /nfs/dbraw/zinc/94/53/90/587945390.db2.gz GSUWNTIFNQKNRP-LBPRGKRZSA-N 0 3 220.316 1.622 20 10 BDCDHN CC(C)(C)[C@@H](CN)[NH2+]Cc1ccccc1[O-] ZINC000841087650 587945899 /nfs/dbraw/zinc/94/58/99/587945899.db2.gz PGUYILTZGPVZMU-GFCCVEGCSA-N 0 3 222.332 1.855 20 10 BDCDHN [NH3+]CC[C@@H](NCc1ccccc1[O-])C(F)(F)F ZINC000841091296 587946807 /nfs/dbraw/zinc/94/68/07/587946807.db2.gz XHQDPJKJBBTBLW-SNVBAGLBSA-N 0 3 248.248 1.762 20 10 BDCDHN C[C@H]([NH3+])[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843058755 588077591 /nfs/dbraw/zinc/07/75/91/588077591.db2.gz XNTFKSGCMNVVJB-UWVGGRQHSA-N 0 3 238.306 1.700 20 10 BDCDHN COC(=O)CC1([NH2+]Cc2cccc(C)c2[O-])CC1 ZINC000846026954 588253905 /nfs/dbraw/zinc/25/39/05/588253905.db2.gz JKICNSZTPUQYCD-UHFFFAOYSA-N 0 3 249.310 1.886 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@@H](C)CCO)c1[O-] ZINC000846148455 588258817 /nfs/dbraw/zinc/25/88/17/588258817.db2.gz ZQIAZJMAXXYUFA-UWVGGRQHSA-N 0 3 239.315 1.822 20 10 BDCDHN C[C@H]([NH2+][C@H](CO)CCF)c1ccccc1[O-] ZINC000846207675 588259818 /nfs/dbraw/zinc/25/98/18/588259818.db2.gz BCJSORLFVRDVDB-UWVGGRQHSA-N 0 3 227.279 1.763 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000848905978 588418673 /nfs/dbraw/zinc/41/86/73/588418673.db2.gz OTRSUNDXEVTQFS-GXFFZTMASA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1[O-] ZINC000848905978 588418674 /nfs/dbraw/zinc/41/86/74/588418674.db2.gz OTRSUNDXEVTQFS-GXFFZTMASA-N 0 3 235.327 1.910 20 10 BDCDHN C[C@@H](O)C[N@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000848929743 588422075 /nfs/dbraw/zinc/42/20/75/588422075.db2.gz ZMILPRWUJUBOCW-SECBINFHSA-N 0 3 239.290 1.877 20 10 BDCDHN C[C@@H](O)C[N@@H+](Cc1cc(F)ccc1[O-])C1CC1 ZINC000848929743 588422077 /nfs/dbraw/zinc/42/20/77/588422077.db2.gz ZMILPRWUJUBOCW-SECBINFHSA-N 0 3 239.290 1.877 20 10 BDCDHN CCNC(=[NH2+])NCc1c([O-])ccc2c1CCCC2 ZINC000849010928 588435203 /nfs/dbraw/zinc/43/52/03/588435203.db2.gz AWAAQSGNOGXRMI-UHFFFAOYSA-N 0 3 247.342 1.905 20 10 BDCDHN CN(C)c1ccc(/C=C\CNC/C=C\CO)cc1 ZINC000850358046 588539066 /nfs/dbraw/zinc/53/90/66/588539066.db2.gz ZYEWQRXIXVAUCJ-OUPQRBNQSA-N 0 3 246.354 1.904 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000850578799 588561861 /nfs/dbraw/zinc/56/18/61/588561861.db2.gz NZAITOBZQDNQSU-OPRDCNLKSA-N 0 3 207.273 1.566 20 10 BDCDHN CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1[O-] ZINC000866419463 589491965 /nfs/dbraw/zinc/49/19/65/589491965.db2.gz DJZFXHSQTYEGAY-WZRBSPASSA-N 0 3 237.299 1.193 20 10 BDCDHN CO[C@@]1(C[NH2+]Cc2ccccc2[O-])CCOC1 ZINC000122961471 589645892 /nfs/dbraw/zinc/64/58/92/589645892.db2.gz XSBIVXDZLSJNFO-CYBMUJFWSA-N 0 3 237.299 1.287 20 10 BDCDHN Cc1ccc(CN2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC000876539519 590212349 /nfs/dbraw/zinc/21/23/49/590212349.db2.gz JOISNHINMFTXJH-GFCCVEGCSA-N 0 3 248.326 1.540 20 10 BDCDHN COC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2[O-])C1 ZINC000876594465 590219630 /nfs/dbraw/zinc/21/96/30/590219630.db2.gz NRCUUXZIMYAUBB-NSHDSACASA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2c(C)cccc2[O-])C1 ZINC000876594465 590219631 /nfs/dbraw/zinc/21/96/31/590219631.db2.gz NRCUUXZIMYAUBB-NSHDSACASA-N 0 3 249.310 1.696 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2c(C)cccc2[O-])C[C@@H]1O ZINC000876815174 590246026 /nfs/dbraw/zinc/24/60/26/590246026.db2.gz NMDXWJLVJMEFJM-FZMZJTMJSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2c(C)cccc2[O-])C[C@@H]1O ZINC000876815174 590246028 /nfs/dbraw/zinc/24/60/28/590246028.db2.gz NMDXWJLVJMEFJM-FZMZJTMJSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)CCO)c([O-])c1 ZINC000877052118 590274803 /nfs/dbraw/zinc/27/48/03/590274803.db2.gz RLDYHBHHSROUQP-SNVBAGLBSA-N 0 3 209.289 1.561 20 10 BDCDHN CC[C@H](CCO)[NH2+]Cc1c(C)cccc1[O-] ZINC000877055582 590275927 /nfs/dbraw/zinc/27/59/27/590275927.db2.gz QIFCVYKRHSAHDW-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN CCN[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074400 590278476 /nfs/dbraw/zinc/27/84/76/590278476.db2.gz IYDXBCZDQNFIJG-VIFPVBQESA-N 0 3 221.304 1.230 20 10 BDCDHN CC(C)[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877077744 590279375 /nfs/dbraw/zinc/27/93/75/590279375.db2.gz SNVFNVQGZNGTDN-LLVKDONJSA-N 0 3 221.304 1.215 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)CCCO)c([O-])c1 ZINC000877109892 590286806 /nfs/dbraw/zinc/28/68/06/590286806.db2.gz TWGKRTUKRKNLIV-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H](C)N(C)C ZINC000877149613 590290882 /nfs/dbraw/zinc/29/08/82/590290882.db2.gz DPZRFPXBHVNTQL-NSHDSACASA-N 0 3 222.332 1.740 20 10 BDCDHN CCNC(=O)[C@@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877143016 590291806 /nfs/dbraw/zinc/29/18/06/590291806.db2.gz YRZRQZWHMIHFNA-SNVBAGLBSA-N 0 3 236.315 1.315 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H](O)C2CC2)c([O-])c1 ZINC000877526132 590347748 /nfs/dbraw/zinc/34/77/48/590347748.db2.gz PWPFLBAMHKOIHU-ZDUSSCGKSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c([O-])c1 ZINC000877576195 590363844 /nfs/dbraw/zinc/36/38/44/590363844.db2.gz JQTAYDXGFDDJLN-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](O)C2)c([O-])c1 ZINC000877576195 590363845 /nfs/dbraw/zinc/36/38/45/590363845.db2.gz JQTAYDXGFDDJLN-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC1(CC(N)=O)CC1 ZINC000877594511 590370423 /nfs/dbraw/zinc/37/04/23/590370423.db2.gz GYEUDLBECUVJKO-UHFFFAOYSA-N 0 3 248.326 1.446 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](CO)C2CCC2)c([O-])c1 ZINC000877622053 590375932 /nfs/dbraw/zinc/37/59/32/590375932.db2.gz DSDQTLVSRQDOAZ-CYBMUJFWSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000877632206 590378364 /nfs/dbraw/zinc/37/83/64/590378364.db2.gz RUOZIKFMMZXRDW-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC(=O)N(C)CC1 ZINC000877632206 590378366 /nfs/dbraw/zinc/37/83/66/590378366.db2.gz RUOZIKFMMZXRDW-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000877652568 590384965 /nfs/dbraw/zinc/38/49/65/590384965.db2.gz KUTZFJIOQNROJL-GFCCVEGCSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([O-])c1 ZINC000877660131 590386521 /nfs/dbraw/zinc/38/65/21/590386521.db2.gz FKEGYFYSZZKYBS-VXGBXAGGSA-N 0 3 247.294 1.305 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c([O-])c1 ZINC000877660131 590386524 /nfs/dbraw/zinc/38/65/24/590386524.db2.gz FKEGYFYSZZKYBS-VXGBXAGGSA-N 0 3 247.294 1.305 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H](O)C(F)F ZINC000877676652 590390424 /nfs/dbraw/zinc/39/04/24/590390424.db2.gz AHZIBVBBQJLQAZ-NSHDSACASA-N 0 3 245.269 1.806 20 10 BDCDHN Cc1cc(O)c(CNC2(C)COC2)cc1C ZINC000877691355 590392802 /nfs/dbraw/zinc/39/28/02/590392802.db2.gz NSAYYZQCBITMFX-UHFFFAOYSA-N 0 3 221.300 1.888 20 10 BDCDHN CO[C@]1(C[N@@H+]2Cc3cccc([O-])c3C2)CCOC1 ZINC000877702796 590396255 /nfs/dbraw/zinc/39/62/55/590396255.db2.gz HVPSRNLDXXZEIM-AWEZNQCLSA-N 0 3 249.310 1.513 20 10 BDCDHN CO[C@]1(C[N@H+]2Cc3cccc([O-])c3C2)CCOC1 ZINC000877702796 590396258 /nfs/dbraw/zinc/39/62/58/590396258.db2.gz HVPSRNLDXXZEIM-AWEZNQCLSA-N 0 3 249.310 1.513 20 10 BDCDHN COC(=O)C1CC([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877724602 590402279 /nfs/dbraw/zinc/40/22/79/590402279.db2.gz ZDXWIDDVYLSMPM-UHFFFAOYSA-N 0 3 249.310 1.742 20 10 BDCDHN CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000879650504 590843574 /nfs/dbraw/zinc/84/35/74/590843574.db2.gz FHGUFFBAWZWCBM-TVQRCGJNSA-N 0 3 237.299 1.383 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccccc1[O-] ZINC000879649572 590841892 /nfs/dbraw/zinc/84/18/92/590841892.db2.gz WIOLWSFETJTVBO-NXEZZACHSA-N 0 3 235.283 1.748 20 10 BDCDHN C[C@H]1CN(Cc2c([O-])cccc2Cl)CC[NH2+]1 ZINC000128331766 590999171 /nfs/dbraw/zinc/99/91/71/590999171.db2.gz QDMNEOBDCVAPLN-VIFPVBQESA-N 0 3 240.734 1.839 20 10 BDCDHN C[NH2+]CCN(C)Cc1c([O-])cccc1Cl ZINC000128335528 590999177 /nfs/dbraw/zinc/99/91/77/590999177.db2.gz IDDRLLRPGQLCEL-UHFFFAOYSA-N 0 3 228.723 1.697 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCSC2)c1 ZINC000129581187 591329398 /nfs/dbraw/zinc/32/93/98/591329398.db2.gz PCTFCNKQJXZWKW-JTQLQIEISA-N 0 3 239.340 1.996 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000136401488 592117456 /nfs/dbraw/zinc/11/74/56/592117456.db2.gz OWMKUCAMPTXCLI-VIFPVBQESA-N 0 3 235.205 1.405 20 10 BDCDHN C[C@@H]1CN(Cc2cc(F)ccc2[O-])CC[C@@H]1[NH3+] ZINC000220189267 592287584 /nfs/dbraw/zinc/28/75/84/592287584.db2.gz VKQVLPSAKUBEOS-SKDRFNHKSA-N 0 3 238.306 1.700 20 10 BDCDHN Cc1ccc(O)c([C@@H](C)N[C@@H]2CNOC2)c1 ZINC000925861548 635557519 /nfs/dbraw/zinc/55/75/19/635557519.db2.gz FERXRQJSJVBEGO-NXEZZACHSA-N 0 3 222.288 1.255 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H](CO)C1CC1 ZINC000308903670 632118631 /nfs/dbraw/zinc/11/86/31/632118631.db2.gz KMOLYIRVBCRSQN-LLVKDONJSA-N 0 3 207.273 1.253 20 10 BDCDHN C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(F)ccc1[O-] ZINC000309298644 632907103 /nfs/dbraw/zinc/90/71/03/632907103.db2.gz LLFXGINCFXYSRX-LDYMZIIASA-N 0 3 224.279 1.453 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](CO)CCF)c([O-])c1 ZINC000877614962 635748682 /nfs/dbraw/zinc/74/86/82/635748682.db2.gz PVJUTIOPHMPMFY-LLVKDONJSA-N 0 3 227.279 1.511 20 10 BDCDHN C[C@](O)(C[NH2+]Cc1cc(F)ccc1[O-])C1CC1 ZINC000310415651 636007954 /nfs/dbraw/zinc/00/79/54/636007954.db2.gz MZXCMUBVEMCCRI-ZDUSSCGKSA-N 0 3 239.290 1.782 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897357980 636412673 /nfs/dbraw/zinc/41/26/73/636412673.db2.gz RKAJZQSHDUDTFW-JLIMDTESSA-N 0 3 225.263 1.392 20 10 BDCDHN CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(F)ccc1[O-] ZINC000863481148 636715006 /nfs/dbraw/zinc/71/50/06/636715006.db2.gz AAEPOIYNVJATOV-NWDGAFQWSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@@H]([NH2+]CCCON)c1ccccc1[O-] ZINC000902419917 637303467 /nfs/dbraw/zinc/30/34/67/637303467.db2.gz VPDVMKLIIUNXPQ-SECBINFHSA-N 0 3 210.277 1.323 20 10 BDCDHN C[NH2+][C@H]1CCN(Cc2cc(Cl)ccc2[O-])C1 ZINC000150073744 639300356 /nfs/dbraw/zinc/30/03/56/639300356.db2.gz RYBIBJHPPRHKAY-NSHDSACASA-N 0 3 240.734 1.839 20 10 BDCDHN COc1ccc(O)c([C@@H](C)NCC[N+](=O)[O-])c1 ZINC000930217686 639637007 /nfs/dbraw/zinc/63/70/07/639637007.db2.gz ZDDAEWXPEBKUFJ-MRVPVSSYSA-N 0 3 240.259 1.328 20 10 BDCDHN C[C@H]([NH2+]CC[S@](C)=O)c1ccccc1[O-] ZINC000163980366 640430728 /nfs/dbraw/zinc/43/07/28/640430728.db2.gz JBMCWKXQRIBUDW-BJOHPYRUSA-N 0 3 227.329 1.421 20 10 BDCDHN CN1CC[C@@H]([NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000226607212 640779368 /nfs/dbraw/zinc/77/93/68/640779368.db2.gz GEGWKMCZIZDXCZ-LLVKDONJSA-N 0 3 224.279 1.325 20 10 BDCDHN C[C@H](CCCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226616743 640780067 /nfs/dbraw/zinc/78/00/67/640780067.db2.gz VZOKSGXQJOPGNQ-SECBINFHSA-N 0 3 227.279 1.782 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CC1(CCO)CC1 ZINC000190307905 641857167 /nfs/dbraw/zinc/85/71/67/641857167.db2.gz QTRBALLDBBONPZ-UHFFFAOYSA-N 0 3 239.290 1.784 20 10 BDCDHN c1ncc(CNCc2ccc3c(c2)CCO3)[nH]1 ZINC000112344923 643333950 /nfs/dbraw/zinc/33/39/50/643333950.db2.gz JSUJMTSDOIJYEZ-UHFFFAOYSA-N 0 3 229.283 1.634 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCOC1)c1cc(F)ccc1[O-] ZINC000087784335 644502683 /nfs/dbraw/zinc/50/26/83/644502683.db2.gz ZROBVWDEYMQABN-SCZZXKLOSA-N 0 3 225.263 1.971 20 10 BDCDHN COc1ccc(O)c([C@H](C)NCc2c[nH]cn2)c1 ZINC000088750719 644527956 /nfs/dbraw/zinc/52/79/56/644527956.db2.gz ZNLVMEQMXSTJDY-VIFPVBQESA-N 0 3 247.298 1.975 20 10 BDCDHN CC[C@@H](N)C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817980956 644994261 /nfs/dbraw/zinc/99/42/61/644994261.db2.gz YOMMZIUDLFVWSL-PSASIEDQSA-N 0 3 226.295 1.919 20 10 BDCDHN C[C@@H](O)C[N@H+](Cc1ccccc1[O-])C1CC1 ZINC000848928621 645445847 /nfs/dbraw/zinc/44/58/47/645445847.db2.gz JCEWOWOPMLVSLJ-SNVBAGLBSA-N 0 3 221.300 1.737 20 10 BDCDHN C[C@@H](O)C[N@@H+](Cc1ccccc1[O-])C1CC1 ZINC000848928621 645445853 /nfs/dbraw/zinc/44/58/53/645445853.db2.gz JCEWOWOPMLVSLJ-SNVBAGLBSA-N 0 3 221.300 1.737 20 10 BDCDHN CC(C)[C@H](CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000394031190 711681716 /nfs/dbraw/zinc/68/17/16/711681716.db2.gz CJLZEMSTTVPYAS-NSHDSACASA-N 0 3 241.306 1.885 20 10 BDCDHN CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000702513504 712054269 /nfs/dbraw/zinc/05/42/69/712054269.db2.gz HVTGDXRGRZUGOZ-GWCFXTLKSA-N 0 3 239.315 1.440 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccccc1[O-] ZINC000706758076 712153977 /nfs/dbraw/zinc/15/39/77/712153977.db2.gz UCYPRVWXPPAQMV-UFGOTCBOSA-N 0 3 237.299 1.193 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707670178 712176295 /nfs/dbraw/zinc/17/62/95/712176295.db2.gz RKAJZQSHDUDTFW-DKTWLAJQSA-N 0 3 225.263 1.392 20 10 BDCDHN CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000708663946 712196118 /nfs/dbraw/zinc/19/61/18/712196118.db2.gz BBPZLOTTYKWTCE-ZYHUDNBSSA-N 0 3 248.326 1.664 20 10 BDCDHN CCc1cccc(CNCC(=O)NC2CC2)c1O ZINC000709429298 712221836 /nfs/dbraw/zinc/22/18/36/712221836.db2.gz GANATUZKTKYEFM-UHFFFAOYSA-N 0 3 248.326 1.323 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccccc1[O-] ZINC000710891873 712261553 /nfs/dbraw/zinc/26/15/53/712261553.db2.gz UAGPAMFQYRYTEK-IRUJWGPZSA-N 0 3 237.299 1.193 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c([O-])c1 ZINC000378756479 712360259 /nfs/dbraw/zinc/36/02/59/712360259.db2.gz YIHBNVSUWHXEJN-MVWJERBFSA-N 0 3 221.300 1.875 20 10 BDCDHN C[C@@H]([NH3+])CN(C)Cc1cc(Cl)ccc1[O-] ZINC000379793507 712399359 /nfs/dbraw/zinc/39/93/59/712399359.db2.gz JUOFWLXZINKTNQ-MRVPVSSYSA-N 0 3 228.723 1.825 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)OC ZINC000390661154 712423320 /nfs/dbraw/zinc/42/33/20/712423320.db2.gz SFVGKMOXWWMZQS-VIFPVBQESA-N 0 3 225.288 1.525 20 10 BDCDHN C[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(=O)N(C)C ZINC000036794366 712496497 /nfs/dbraw/zinc/49/64/97/712496497.db2.gz CQIVYBDWPLYURD-NXEZZACHSA-N 0 3 236.315 1.520 20 10 BDCDHN C[C@@H](NCC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037254255 712560690 /nfs/dbraw/zinc/56/06/90/712560690.db2.gz CFZQIFYCVROCGY-LLVKDONJSA-N 0 3 249.358 1.491 20 10 BDCDHN C[C@@H](N[C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000037261360 712560723 /nfs/dbraw/zinc/56/07/23/712560723.db2.gz BWNVFQBCNIUVPK-VHSXEESVSA-N 0 3 235.331 1.277 20 10 BDCDHN COC(=O)CCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000037417077 712628952 /nfs/dbraw/zinc/62/89/52/712628952.db2.gz TULYAOTUAKHNAS-SNVBAGLBSA-N 0 3 237.299 1.996 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720951094 712882173 /nfs/dbraw/zinc/88/21/73/712882173.db2.gz IZZMTCXTFOXUJU-HOMQSWHASA-N 0 3 207.273 1.253 20 10 BDCDHN CC[C@@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC ZINC000697916453 964678280 /nfs/dbraw/zinc/67/82/80/964678280.db2.gz LVBDZPYDOYXYNY-GXSJLCMTSA-N 0 3 236.315 1.567 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001203546980 966679047 /nfs/dbraw/zinc/67/90/47/966679047.db2.gz FLQJDABHNWREBH-UHFFFAOYSA-N 0 3 219.284 1.349 20 10 BDCDHN Oc1ccccc1CN1CC2(CC(O)C2)C1 ZINC001203546980 966679060 /nfs/dbraw/zinc/67/90/60/966679060.db2.gz FLQJDABHNWREBH-UHFFFAOYSA-N 0 3 219.284 1.349 20 10 BDCDHN Cc1n[nH]cc1CN1CCc2cccc(O)c2C1 ZINC001209557166 957503169 /nfs/dbraw/zinc/50/31/69/957503169.db2.gz OBEVMARGCZFSEV-UHFFFAOYSA-N 0 3 243.310 1.982 20 10 BDCDHN NCc1ccc(Nc2ccc(N)cn2)cn1 ZINC001160396390 972354465 /nfs/dbraw/zinc/35/44/65/972354465.db2.gz HVXLUHNINJQBMN-UHFFFAOYSA-N 0 3 215.260 1.261 20 10 BDCDHN Cc1ccc(C[NH+]2CC(C3COC3)C2)c([O-])c1 ZINC001140948296 960750684 /nfs/dbraw/zinc/75/06/84/960750684.db2.gz BXLMRMMFCSCBNV-UHFFFAOYSA-N 0 3 233.311 1.779 20 10 BDCDHN C[C@@]1([NH3+])CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001204782833 963539925 /nfs/dbraw/zinc/53/99/25/963539925.db2.gz KSFFUMQUYMUOLN-GFCCVEGCSA-N 0 3 240.734 1.969 20 10 BDCDHN Cc1ncc(C[NH2+]Cc2ccccc2[O-])n1C ZINC000689765656 964139887 /nfs/dbraw/zinc/13/98/87/964139887.db2.gz DVLSOLNJIJVVEX-UHFFFAOYSA-N 0 3 231.299 1.724 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCO[C@H]1CC1(F)F ZINC000690707977 965324191 /nfs/dbraw/zinc/32/41/91/965324191.db2.gz DFBGBAPAGSVAKZ-NSHDSACASA-N 0 3 243.253 1.906 20 10 BDCDHN OC[C@@H]1C[C@@H](F)CN(Cc2ccccc2O)C1 ZINC001203550542 966675632 /nfs/dbraw/zinc/67/56/32/966675632.db2.gz YOYRMYQIVYDFJG-ZYHUDNBSSA-N 0 3 239.290 1.545 20 10 BDCDHN CN1CC2(C1)CC[N@H+](Cc1ccccc1[O-])C2 ZINC001203561220 966689801 /nfs/dbraw/zinc/68/98/01/966689801.db2.gz NGVYLPNYDDTGKF-UHFFFAOYSA-N 0 3 232.327 1.530 20 10 BDCDHN CN1CC2(C1)CC[N@@H+](Cc1ccccc1[O-])C2 ZINC001203561220 966689803 /nfs/dbraw/zinc/68/98/03/966689803.db2.gz NGVYLPNYDDTGKF-UHFFFAOYSA-N 0 3 232.327 1.530 20 10 BDCDHN OC[C@@H]1CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203874426 966805445 /nfs/dbraw/zinc/80/54/45/966805445.db2.gz XIKZZZVSTWLTQO-LLVKDONJSA-N 0 3 237.299 1.302 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCCC[C@H](O)C1 ZINC001204276122 966952067 /nfs/dbraw/zinc/95/20/67/966952067.db2.gz HOFMPJUKQPUOBL-LBPRGKRZSA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001204276122 966952073 /nfs/dbraw/zinc/95/20/73/966952073.db2.gz HOFMPJUKQPUOBL-LBPRGKRZSA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC001204276115 966953854 /nfs/dbraw/zinc/95/38/54/966953854.db2.gz HEDIKAGEENRMBW-AOOOYVTPSA-N 0 3 205.257 1.550 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC001204276115 966953860 /nfs/dbraw/zinc/95/38/60/966953860.db2.gz HEDIKAGEENRMBW-AOOOYVTPSA-N 0 3 205.257 1.550 20 10 BDCDHN CN1CC2(C1)CC[N@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204277407 966957494 /nfs/dbraw/zinc/95/74/94/966957494.db2.gz DBIGZEOLFAUCML-UHFFFAOYSA-N 0 3 248.326 1.235 20 10 BDCDHN CN1CC2(C1)CC[N@@H+](Cc1ccc(O)cc1[O-])C2 ZINC001204277407 966957500 /nfs/dbraw/zinc/95/75/00/966957500.db2.gz DBIGZEOLFAUCML-UHFFFAOYSA-N 0 3 248.326 1.235 20 10 BDCDHN C[N@@H+](Cc1ccc(O)cc1[O-])CC1COC1 ZINC001204278274 966958871 /nfs/dbraw/zinc/95/88/71/966958871.db2.gz CSSNSJXQZPAHSL-UHFFFAOYSA-N 0 3 223.272 1.176 20 10 BDCDHN C[N@H+](Cc1ccc(O)cc1[O-])CC1COC1 ZINC001204278274 966958875 /nfs/dbraw/zinc/95/88/75/966958875.db2.gz CSSNSJXQZPAHSL-UHFFFAOYSA-N 0 3 223.272 1.176 20 10 BDCDHN CCOC(=O)CC[N@@H+]1CCc2cccc([O-])c2C1 ZINC001209035967 969332703 /nfs/dbraw/zinc/33/27/03/969332703.db2.gz FNUGJTLXELNCGT-UHFFFAOYSA-N 0 3 249.310 1.704 20 10 BDCDHN CCOC(=O)CC[N@H+]1CCc2cccc([O-])c2C1 ZINC001209035967 969332707 /nfs/dbraw/zinc/33/27/07/969332707.db2.gz FNUGJTLXELNCGT-UHFFFAOYSA-N 0 3 249.310 1.704 20 10 BDCDHN Cc1cccc(CN2CC(N3CCCC3)C2)c1O ZINC001231592292 977640567 /nfs/dbraw/zinc/64/05/67/977640567.db2.gz IWZUMKCDHINXMT-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN Cc1cccc(CN2CC3(CC(O)C3)C2)c1O ZINC001231591169 977643964 /nfs/dbraw/zinc/64/39/64/977643964.db2.gz VEBREUAEMMGEPC-UHFFFAOYSA-N 0 3 233.311 1.657 20 10 BDCDHN Oc1ccc(CN2CC[C@@]23CCOC3)c(O)c1 ZINC001204278203 978930518 /nfs/dbraw/zinc/93/05/18/978930518.db2.gz XXYRMLXYPRDKPX-ZDUSSCGKSA-N 0 3 235.283 1.463 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001237484817 979909010 /nfs/dbraw/zinc/90/90/10/979909010.db2.gz IBZIESBYFMGYNI-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](CO)[C@H]1C ZINC001237484817 979909021 /nfs/dbraw/zinc/90/90/21/979909021.db2.gz IBZIESBYFMGYNI-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN CCOC(=O)C1CN(Cc2c(C)cccc2O)C1 ZINC001237490205 979918439 /nfs/dbraw/zinc/91/84/39/979918439.db2.gz RXEOXQRGLHKYSW-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN CSCCN(C)Cc1ccc(O)c(O)c1 ZINC001203881094 982581878 /nfs/dbraw/zinc/58/18/78/982581878.db2.gz LNJGREZOJNOBOH-UHFFFAOYSA-N 0 3 227.329 1.893 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)c([O-])c1 ZINC000877608212 983956763 /nfs/dbraw/zinc/95/67/63/983956763.db2.gz RMPDYCVKXDRFNL-ZYHUDNBSSA-N 0 3 221.300 1.968 20 10 BDCDHN COCC1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000691859290 985700952 /nfs/dbraw/zinc/70/09/52/985700952.db2.gz NLVHSEVFTCJMLC-UHFFFAOYSA-N 0 3 221.300 1.908 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718251686 985841004 /nfs/dbraw/zinc/84/10/04/985841004.db2.gz SLFQFJAPZOQHOV-PHIMTYICSA-N 0 3 237.274 1.610 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718251686 985841012 /nfs/dbraw/zinc/84/10/12/985841012.db2.gz SLFQFJAPZOQHOV-PHIMTYICSA-N 0 3 237.274 1.610 20 10 BDCDHN COc1cc(C)c(C[NH2+]C/C=C/CO)c([O-])c1 ZINC001462417928 986381704 /nfs/dbraw/zinc/38/17/04/986381704.db2.gz JHUWYZKSGDVYOB-ONEGZZNKSA-N 0 3 237.299 1.347 20 10 BDCDHN Cc1c(CN2CC(CO)C2)c2ccccc2n1C ZINC001138256580 990906645 /nfs/dbraw/zinc/90/66/45/990906645.db2.gz BNTBHKLYJSGXBL-UHFFFAOYSA-N 0 3 244.338 1.911 20 10 BDCDHN COc1cc(C)c(C[N@@H+]2CC[C@H](O)C2)c([O-])c1 ZINC001560647684 991535156 /nfs/dbraw/zinc/53/51/56/991535156.db2.gz AEIULPDPYRRINT-JTQLQIEISA-N 0 3 237.299 1.276 20 10 BDCDHN COc1cc(C)c(C[N@H+]2CC[C@H](O)C2)c([O-])c1 ZINC001560647684 991535170 /nfs/dbraw/zinc/53/51/70/991535170.db2.gz AEIULPDPYRRINT-JTQLQIEISA-N 0 3 237.299 1.276 20 10 BDCDHN COc1cc(C)c(C[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1 ZINC001560888884 991642358 /nfs/dbraw/zinc/64/23/58/991642358.db2.gz HTCYIRFZYBFMES-AOOOYVTPSA-N 0 3 237.299 1.322 20 10 BDCDHN C[NH2+]C[C@@H](C)C(=O)NCc1c([O-])cccc1F ZINC001263199831 993161465 /nfs/dbraw/zinc/16/14/65/993161465.db2.gz RVVKEJMUBQWEMU-MRVPVSSYSA-N 0 3 240.278 1.003 20 10 BDCDHN CC1(C)[C@H]([NH2+]Cc2cccc(F)c2[O-])C[C@@H]1N ZINC001576380059 993286262 /nfs/dbraw/zinc/28/62/62/993286262.db2.gz GHZHYDPRQFBPFX-WDEREUQCSA-N 0 3 238.306 1.747 20 10 BDCDHN C[C@@H]1CCN(CC(=O)NCc2ccc(N)cc2)C1 ZINC001576728971 993405423 /nfs/dbraw/zinc/40/54/23/993405423.db2.gz BBBDFUXJHAJGAO-LLVKDONJSA-N 0 3 247.342 1.227 20 10 BDCDHN CCOc1cccc(C[NH2+][C@H](C)CO)c1[O-] ZINC000035603283 343299741 /nfs/dbraw/zinc/29/97/41/343299741.db2.gz PSOQUSGHYPBGOA-SECBINFHSA-N 0 3 225.288 1.261 20 10 BDCDHN C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1[O-] ZINC000037154845 343336965 /nfs/dbraw/zinc/33/69/65/343336965.db2.gz YRWXLBVHCCMDJV-NSHDSACASA-N 0 3 231.299 1.767 20 10 BDCDHN Cc1cccc(C[NH+]2CC3(C2)CCOC3)c1[O-] ZINC000293883168 179074950 /nfs/dbraw/zinc/07/49/50/179074950.db2.gz DFENHQXUOFTPFV-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1cccc(CN2CC3(C2)CCOC3)c1O ZINC000293883168 179074951 /nfs/dbraw/zinc/07/49/51/179074951.db2.gz DFENHQXUOFTPFV-UHFFFAOYSA-N 0 3 233.311 1.923 20 10 BDCDHN Cc1cccc(CN2CCNC(=O)C[C@H]2C)c1O ZINC000368132322 179076479 /nfs/dbraw/zinc/07/64/79/179076479.db2.gz FSHZBPKCQXQLPP-LLVKDONJSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H](O)C2)c1[O-] ZINC000132492013 179082697 /nfs/dbraw/zinc/08/26/97/179082697.db2.gz DHQPWWPBARCWJI-NSHDSACASA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H](O)C2)c1[O-] ZINC000132492013 179082698 /nfs/dbraw/zinc/08/26/98/179082698.db2.gz DHQPWWPBARCWJI-NSHDSACASA-N 0 3 207.273 1.267 20 10 BDCDHN NC(=O)C1CC[NH+](Cc2ccccc2[O-])CC1 ZINC000084847087 181217405 /nfs/dbraw/zinc/21/74/05/181217405.db2.gz WXMGARHXHXPUGE-UHFFFAOYSA-N 0 3 234.299 1.090 20 10 BDCDHN CCC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000063730662 169080721 /nfs/dbraw/zinc/08/07/21/169080721.db2.gz NKHHWAFZBCYECX-UHFFFAOYSA-N 0 3 223.272 1.963 20 10 BDCDHN CCC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000063730662 169080723 /nfs/dbraw/zinc/08/07/23/169080723.db2.gz NKHHWAFZBCYECX-UHFFFAOYSA-N 0 3 223.272 1.963 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000226608291 183274680 /nfs/dbraw/zinc/27/46/80/183274680.db2.gz YPARGYYZSKQJEB-WCQYABFASA-N 0 3 239.290 1.924 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000272506145 183275542 /nfs/dbraw/zinc/27/55/42/183275542.db2.gz WJMQZKZCYZWVQO-HAQNSBGRSA-N 0 3 239.290 1.924 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1=CCCOC1 ZINC000124682722 183301435 /nfs/dbraw/zinc/30/14/35/183301435.db2.gz FBJHURLPWUOHCX-UHFFFAOYSA-N 0 3 219.284 1.829 20 10 BDCDHN [O-]c1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000038005679 183303124 /nfs/dbraw/zinc/30/31/24/183303124.db2.gz XMVPDNZHGCFIDG-UHFFFAOYSA-N 0 3 203.245 1.405 20 10 BDCDHN CC[C@@H](COC)[NH2+]Cc1ccccc1[O-] ZINC000070625069 383943730 /nfs/dbraw/zinc/94/37/30/383943730.db2.gz WCUWUYYMGRCPAH-NSHDSACASA-N 0 3 209.289 1.907 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1cc(C)ccc1[O-] ZINC000070955054 384143079 /nfs/dbraw/zinc/14/30/79/384143079.db2.gz UGYSWHDGXQEKOV-NSHDSACASA-N 0 3 209.289 1.561 20 10 BDCDHN C[C@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000132432979 384190582 /nfs/dbraw/zinc/19/05/82/384190582.db2.gz HATLBZPDAXAMOR-ZJUUUORDSA-N 0 3 209.289 1.814 20 10 BDCDHN COC[C@H]([NH2+]Cc1ccccc1[O-])C1CC1 ZINC000133141243 384273929 /nfs/dbraw/zinc/27/39/29/384273929.db2.gz IGVWSLUFJWDLJM-LBPRGKRZSA-N 0 3 221.300 1.907 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CO)c1 ZINC000035629074 384417354 /nfs/dbraw/zinc/41/73/54/384417354.db2.gz RIBKYERJTKUHEX-UWVGGRQHSA-N 0 3 209.289 1.732 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+]CCCO)c1 ZINC000035628919 384419357 /nfs/dbraw/zinc/41/93/57/384419357.db2.gz SKGOBVOLVAGQKA-SNVBAGLBSA-N 0 3 209.289 1.734 20 10 BDCDHN CC[C@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020194905 384592327 /nfs/dbraw/zinc/59/23/27/384592327.db2.gz PFCWRTFIVYPSDM-VHSXEESVSA-N 0 3 209.289 1.814 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000020194902 384592483 /nfs/dbraw/zinc/59/24/83/384592483.db2.gz PFCWRTFIVYPSDM-UWVGGRQHSA-N 0 3 209.289 1.814 20 10 BDCDHN C[N@H+](CCCCCO)Cc1ccccc1[O-] ZINC000173359144 384676937 /nfs/dbraw/zinc/67/69/37/384676937.db2.gz NQTGYNYMZFBXSB-UHFFFAOYSA-N 0 3 223.316 1.987 20 10 BDCDHN C[N@@H+](CCCCCO)Cc1ccccc1[O-] ZINC000173359144 384676942 /nfs/dbraw/zinc/67/69/42/384676942.db2.gz NQTGYNYMZFBXSB-UHFFFAOYSA-N 0 3 223.316 1.987 20 10 BDCDHN C[C@H](O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000082992609 384734316 /nfs/dbraw/zinc/73/43/16/384734316.db2.gz QNIYSYGPAIQBHS-UWVGGRQHSA-N 0 3 209.289 1.814 20 10 BDCDHN COC[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000234823019 384871851 /nfs/dbraw/zinc/87/18/51/384871851.db2.gz WHBSTPBZUBAACS-WPRPVWTQSA-N 0 3 243.278 1.189 20 10 BDCDHN CC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000163988979 384894636 /nfs/dbraw/zinc/89/46/36/384894636.db2.gz SGYYXRHVLZMHHR-ZJUUUORDSA-N 0 3 239.315 1.822 20 10 BDCDHN CC[N@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000127969602 384918842 /nfs/dbraw/zinc/91/88/42/384918842.db2.gz DYTKMGNAESCNTO-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN CC[N@@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000127969602 384918847 /nfs/dbraw/zinc/91/88/47/384918847.db2.gz DYTKMGNAESCNTO-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN C[C@@H]([NH2+][C@@H](C)CO)c1cc(F)ccc1[O-] ZINC000087111365 385074438 /nfs/dbraw/zinc/07/44/38/385074438.db2.gz KYKZMGFKYQAOSP-JGVFFNPUSA-N 0 3 213.252 1.563 20 10 BDCDHN CC[C@H]([NH2+]CCO)c1ccc(C)cc1[O-] ZINC000279988726 385242729 /nfs/dbraw/zinc/24/27/29/385242729.db2.gz FEHVKSCHTZTDLB-NSHDSACASA-N 0 3 209.289 1.734 20 10 BDCDHN C[C@H](CC[S@](C)=O)[NH2+]Cc1ccccc1[O-] ZINC000131297757 385324241 /nfs/dbraw/zinc/32/42/41/385324241.db2.gz RIHUFTMVZIWJMN-QLJPJBMISA-N 0 3 241.356 1.639 20 10 BDCDHN CO[C@@H](C)CNCc1ccc2c(c1)CCO2 ZINC000191202123 385291819 /nfs/dbraw/zinc/29/18/19/385291819.db2.gz VSRIFYVAPMRJBL-JTQLQIEISA-N 0 3 221.300 1.746 20 10 BDCDHN COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000193500037 385399317 /nfs/dbraw/zinc/39/93/17/385399317.db2.gz ZBIUMUBHKAQFHO-CMPLNLGQSA-N 0 3 249.310 1.824 20 10 BDCDHN CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000156069266 385434182 /nfs/dbraw/zinc/43/41/82/385434182.db2.gz KDLUGPITGMXEEF-CYBMUJFWSA-N 0 3 234.343 1.918 20 10 BDCDHN CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000156069266 385434184 /nfs/dbraw/zinc/43/41/84/385434184.db2.gz KDLUGPITGMXEEF-CYBMUJFWSA-N 0 3 234.343 1.918 20 10 BDCDHN C[C@@H](O)CC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180170363 385509738 /nfs/dbraw/zinc/50/97/38/385509738.db2.gz OAWOHJLFBNFHAK-SECBINFHSA-N 0 3 227.279 1.734 20 10 BDCDHN C[C@@H](O)CC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180170363 385509741 /nfs/dbraw/zinc/50/97/41/385509741.db2.gz OAWOHJLFBNFHAK-SECBINFHSA-N 0 3 227.279 1.734 20 10 BDCDHN CCOc1ccc([O-])c(C[N@H+](CC)CCO)c1 ZINC000271003239 385770284 /nfs/dbraw/zinc/77/02/84/385770284.db2.gz MAMHUHFLXVDKPK-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCOc1ccc([O-])c(C[N@@H+](CC)CCO)c1 ZINC000271003239 385770288 /nfs/dbraw/zinc/77/02/88/385770288.db2.gz MAMHUHFLXVDKPK-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272531836 385911671 /nfs/dbraw/zinc/91/16/71/385911671.db2.gz NDLUTXPRJBSOLX-VXGBXAGGSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1 ZINC000272531836 385911676 /nfs/dbraw/zinc/91/16/76/385911676.db2.gz NDLUTXPRJBSOLX-VXGBXAGGSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[N@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000096810804 385988529 /nfs/dbraw/zinc/98/85/29/385988529.db2.gz ZQIQVTGJWSRKSB-UHFFFAOYSA-N 0 3 209.245 1.573 20 10 BDCDHN CC[N@@H+](C)Cc1cc2c(cc1[O-])OCO2 ZINC000096810804 385988533 /nfs/dbraw/zinc/98/85/33/385988533.db2.gz ZQIQVTGJWSRKSB-UHFFFAOYSA-N 0 3 209.245 1.573 20 10 BDCDHN COC[C@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000234841121 386105594 /nfs/dbraw/zinc/10/55/94/386105594.db2.gz VDEGACKVQUGGBT-ZJUUUORDSA-N 0 3 225.288 1.050 20 10 BDCDHN C[C@@H](CCN(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226588591 386341625 /nfs/dbraw/zinc/34/16/25/386341625.db2.gz PNRNHKHQDXNWTK-JTQLQIEISA-N 0 3 240.322 1.961 20 10 BDCDHN CCN(C)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226588209 386341753 /nfs/dbraw/zinc/34/17/53/386341753.db2.gz UOGYSLNPOPUEKK-UHFFFAOYSA-N 0 3 226.295 1.573 20 10 BDCDHN Cn1cc(CC[NH2+]Cc2cc(F)ccc2[O-])cn1 ZINC000226585650 386335959 /nfs/dbraw/zinc/33/59/59/386335959.db2.gz CYROSHUHTSRCQP-UHFFFAOYSA-N 0 3 249.289 1.597 20 10 BDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000290214424 386407953 /nfs/dbraw/zinc/40/79/53/386407953.db2.gz QFSQDXWWDBEWHG-CDMKHQONSA-N 0 3 237.299 1.457 20 10 BDCDHN COC[C@](C)(CCO)[NH2+]Cc1ccccc1[O-] ZINC000267315742 386527833 /nfs/dbraw/zinc/52/78/33/386527833.db2.gz DGVNNBVFUNXFSM-ZDUSSCGKSA-N 0 3 239.315 1.269 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000296026753 386704579 /nfs/dbraw/zinc/70/45/79/386704579.db2.gz SMCBTWJNNKXQTI-MXWKQRLJSA-N 0 3 221.300 1.875 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280554036 386821425 /nfs/dbraw/zinc/82/14/25/386821425.db2.gz UIJVOCZEQYAMMZ-CYBMUJFWSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280554036 386821432 /nfs/dbraw/zinc/82/14/32/386821432.db2.gz UIJVOCZEQYAMMZ-CYBMUJFWSA-N 0 3 235.327 1.903 20 10 BDCDHN COC[C@H]1CCN1Cc1ccc(N(C)C)cc1 ZINC000293526396 386828478 /nfs/dbraw/zinc/82/84/78/386828478.db2.gz IZAYXDLWEPKWIK-CQSZACIVSA-N 0 3 234.343 1.973 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368351291 386965106 /nfs/dbraw/zinc/96/51/06/386965106.db2.gz DIGYKMACIXAGDB-ITGUQSILSA-N 0 3 233.311 1.371 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368351291 386965107 /nfs/dbraw/zinc/96/51/07/386965107.db2.gz DIGYKMACIXAGDB-ITGUQSILSA-N 0 3 233.311 1.371 20 10 BDCDHN CN(C)c1ccc(C2=CCN(CCO)C2)cc1 ZINC000374326163 387442488 /nfs/dbraw/zinc/44/24/88/387442488.db2.gz RYSRUAMRJCGOEB-UHFFFAOYSA-N 0 3 232.327 1.444 20 10 BDCDHN Cc1ccc(O)c([C@@H](C)NCc2cnnn2C)c1 ZINC000287278495 387403446 /nfs/dbraw/zinc/40/34/46/387403446.db2.gz JMKOKWGKZMXXNU-SNVBAGLBSA-N 0 3 246.314 1.680 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1COC1)CC2 ZINC000528032177 387833673 /nfs/dbraw/zinc/83/36/73/387833673.db2.gz XJZPUHMHCNBTRQ-NSHDSACASA-N 0 3 219.284 1.616 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c([O-])c1 ZINC000296084268 388416646 /nfs/dbraw/zinc/41/66/46/388416646.db2.gz XNSYNCIFKLTXEW-IRUJWGPZSA-N 0 3 237.299 1.111 20 10 BDCDHN O=C1NCCC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296267219 388419762 /nfs/dbraw/zinc/41/97/62/388419762.db2.gz DMRSSOIAAXOKTO-MNOVXSKESA-N 0 3 246.310 1.248 20 10 BDCDHN CC1(C[NH2+]Cc2cc(F)ccc2[O-])COC1 ZINC000226608272 168042290 /nfs/dbraw/zinc/04/22/90/168042290.db2.gz OQYMGYSKCMPEHJ-UHFFFAOYSA-N 0 3 225.263 1.657 20 10 BDCDHN CC1(C[NH2+][C@H]2CCc3cccc([O-])c32)OCCO1 ZINC000296660744 168046364 /nfs/dbraw/zinc/04/63/64/168046364.db2.gz FDQVOYXBEWMOHE-NSHDSACASA-N 0 3 249.310 1.732 20 10 BDCDHN COC[C@H](O)C[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000282607926 411455460 /nfs/dbraw/zinc/45/54/60/411455460.db2.gz IJZAXUUIVKMGOY-GFCCVEGCSA-N 0 3 239.315 1.106 20 10 BDCDHN CCNC(=O)[C@H](C)NCc1cc(C)ccc1O ZINC000071407099 170094898 /nfs/dbraw/zinc/09/48/98/170094898.db2.gz RFGHMZXROOWQOT-JTQLQIEISA-N 0 3 236.315 1.315 20 10 BDCDHN CN1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226587854 173057566 /nfs/dbraw/zinc/05/75/66/173057566.db2.gz QRXSGDDHOYMHBM-LBPRGKRZSA-N 0 3 238.306 1.715 20 10 BDCDHN CNC(=O)CC[N@H+](C)Cc1cc(C)ccc1[O-] ZINC000179412366 173249538 /nfs/dbraw/zinc/24/95/38/173249538.db2.gz VTCHEMMGSDNAQP-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN CNC(=O)CC[N@@H+](C)Cc1cc(C)ccc1[O-] ZINC000179412366 173249540 /nfs/dbraw/zinc/24/95/40/173249540.db2.gz VTCHEMMGSDNAQP-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2[O-])C1 ZINC000228099597 173300470 /nfs/dbraw/zinc/30/04/70/173300470.db2.gz XNAHWMJRMPYMGI-AWEZNQCLSA-N 0 3 248.326 1.350 20 10 BDCDHN CNC(=O)[C@@]1(C)CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000228099597 173300471 /nfs/dbraw/zinc/30/04/71/173300471.db2.gz XNAHWMJRMPYMGI-AWEZNQCLSA-N 0 3 248.326 1.350 20 10 BDCDHN COCC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000281541122 174389953 /nfs/dbraw/zinc/38/99/53/174389953.db2.gz IQXSFCLNWLHEFE-QWRGUYRKSA-N 0 3 239.315 1.440 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@H](C)OC)c1 ZINC000289649715 175157436 /nfs/dbraw/zinc/15/74/36/175157436.db2.gz MTLAAJYCEUUOGK-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@H](C)OC)c1 ZINC000289649715 175157438 /nfs/dbraw/zinc/15/74/38/175157438.db2.gz MTLAAJYCEUUOGK-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C(C)(C)CCO)c1 ZINC000164702745 175158142 /nfs/dbraw/zinc/15/81/42/175158142.db2.gz RKEZHKBQDFYASJ-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1ccc(O)c(CN2C[C@@H](O)C3(CC3)C2)c1 ZINC000375286501 175158274 /nfs/dbraw/zinc/15/82/74/175158274.db2.gz JOMKAOAHLXWGQQ-CYBMUJFWSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000375286501 175158276 /nfs/dbraw/zinc/15/82/76/175158276.db2.gz JOMKAOAHLXWGQQ-CYBMUJFWSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000375286501 175158279 /nfs/dbraw/zinc/15/82/79/175158279.db2.gz JOMKAOAHLXWGQQ-CYBMUJFWSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H](C)CCO)c1 ZINC000132435069 175159962 /nfs/dbraw/zinc/15/99/62/175159962.db2.gz KVZYOEUWXVLTME-ZJUUUORDSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@@H](C)CCO)c1 ZINC000132434853 175160619 /nfs/dbraw/zinc/16/06/19/175160619.db2.gz KVZYOEUWXVLTME-UWVGGRQHSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc(CN2C[C@H](O)C3(CC3)C2)c1O ZINC000375285419 175261840 /nfs/dbraw/zinc/26/18/40/175261840.db2.gz BLMQQWHMYBISHC-LBPRGKRZSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000375285419 175261841 /nfs/dbraw/zinc/26/18/41/175261841.db2.gz BLMQQWHMYBISHC-LBPRGKRZSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@H](O)C3(CC3)C2)c1[O-] ZINC000375285419 175261843 /nfs/dbraw/zinc/26/18/43/175261843.db2.gz BLMQQWHMYBISHC-LBPRGKRZSA-N 0 3 249.310 1.358 20 10 BDCDHN COc1cccc(C[NH2+]C[C@@H](C)N(C)C)c1[O-] ZINC000038088871 175265003 /nfs/dbraw/zinc/26/50/03/175265003.db2.gz XBVMRTKZODUYEA-SNVBAGLBSA-N 0 3 238.331 1.441 20 10 BDCDHN COc1cccc(C[NH2+][C@@H]2CCOC2)c1[O-] ZINC000087784615 175266737 /nfs/dbraw/zinc/26/67/37/175266737.db2.gz YZAXLUWBVRWCBL-SNVBAGLBSA-N 0 3 223.272 1.279 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+]CC1COC1)CC2 ZINC000528032176 262904146 /nfs/dbraw/zinc/90/41/46/262904146.db2.gz XJZPUHMHCNBTRQ-LLVKDONJSA-N 0 3 219.284 1.616 20 10 BDCDHN C[NH2+]CCNCc1cc(Cl)ccc1[O-] ZINC000841035652 587937566 /nfs/dbraw/zinc/93/75/66/587937566.db2.gz LNICOAVXBCCQQU-UHFFFAOYSA-N 0 3 214.696 1.355 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H]1CCOC1 ZINC000127042422 491132065 /nfs/dbraw/zinc/13/20/65/491132065.db2.gz UKCTUNZLCHDHGP-ZYHUDNBSSA-N 0 3 221.300 1.907 20 10 BDCDHN COc1cccc([O-])c1C[NH+]1CCCC1 ZINC000725844484 582900290 /nfs/dbraw/zinc/90/02/90/582900290.db2.gz ZLLZDXPRMWRYKP-UHFFFAOYSA-N 0 3 207.273 1.997 20 10 BDCDHN CON(C)CC[NH2+][C@@H](C)c1ccc(C)cc1[O-] ZINC000850479392 582919424 /nfs/dbraw/zinc/91/94/24/582919424.db2.gz RPSRCEUTAPKAGV-NSHDSACASA-N 0 3 238.331 1.844 20 10 BDCDHN CN1CCCc2cc(CN[C@H]3CCOC3)ccc21 ZINC000075186317 536396987 /nfs/dbraw/zinc/39/69/87/536396987.db2.gz WGLGTCASJKQVAR-AWEZNQCLSA-N 0 3 246.354 1.948 20 10 BDCDHN C[NH2+]C[C@H](C)NCc1cccc(F)c1[O-] ZINC000853248812 588728826 /nfs/dbraw/zinc/72/88/26/588728826.db2.gz KJLGMMHKAVTBTG-QMMMGPOBSA-N 0 3 212.268 1.229 20 10 BDCDHN CNC[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000853248812 588728827 /nfs/dbraw/zinc/72/88/27/588728827.db2.gz KJLGMMHKAVTBTG-QMMMGPOBSA-N 0 3 212.268 1.229 20 10 BDCDHN COCC[C@@H](C)[NH2+]Cc1cccc(OC)c1[O-] ZINC000112018151 588780245 /nfs/dbraw/zinc/78/02/45/588780245.db2.gz QYDBBYNGCVVGNN-SNVBAGLBSA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@H](NCC12CC(C1)C[NH2+]2)c1ccccc1[O-] ZINC000854226688 588780538 /nfs/dbraw/zinc/78/05/38/588780538.db2.gz JWKPXEGQQAGDSS-IFQILLTASA-N 0 3 232.327 1.795 20 10 BDCDHN C[NH2+]C[C@H](C)N[C@@H](C)c1cc(F)ccc1[O-] ZINC000854231700 588781185 /nfs/dbraw/zinc/78/11/85/588781185.db2.gz JYUAWASRADADPQ-IUCAKERBSA-N 0 3 226.295 1.790 20 10 BDCDHN C[C@H](CCNC(=O)c1cc([O-])cs1)[NH+](C)C ZINC000855417658 588832246 /nfs/dbraw/zinc/83/22/46/588832246.db2.gz MHAGKMSWWQZGSN-MRVPVSSYSA-N 0 3 242.344 1.524 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1C ZINC000783731880 582961494 /nfs/dbraw/zinc/96/14/94/582961494.db2.gz AARJBZIAUXNVOL-HIFRSBDPSA-N 0 3 247.338 1.823 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)cc1C ZINC000783731880 582961496 /nfs/dbraw/zinc/96/14/96/582961496.db2.gz AARJBZIAUXNVOL-HIFRSBDPSA-N 0 3 247.338 1.823 20 10 BDCDHN C[NH2+][C@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000219862870 583175879 /nfs/dbraw/zinc/17/58/79/583175879.db2.gz ZBDLGTPZNMLHKF-LBPRGKRZSA-N 0 3 238.306 1.715 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]CC[C@H](C)O)c1 ZINC000114770881 588882332 /nfs/dbraw/zinc/88/23/32/588882332.db2.gz YRFZEKLQJZBIQC-JTQLQIEISA-N 0 3 239.315 1.651 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c([O-])c1 ZINC000877461716 583314420 /nfs/dbraw/zinc/31/44/20/583314420.db2.gz JLJXSVJWXOLFLU-OCCSQVGLSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c([O-])c1 ZINC000877461716 583314422 /nfs/dbraw/zinc/31/44/22/583314422.db2.gz JLJXSVJWXOLFLU-OCCSQVGLSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)c1[O-] ZINC000814173160 583342589 /nfs/dbraw/zinc/34/25/89/583342589.db2.gz HDIXITNLYCAHNU-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)c1[O-] ZINC000814173160 583342590 /nfs/dbraw/zinc/34/25/90/583342590.db2.gz HDIXITNLYCAHNU-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](CO)C1CC1 ZINC000894274112 583404624 /nfs/dbraw/zinc/40/46/24/583404624.db2.gz SHNXVVVXTFWTKD-LBPRGKRZSA-N 0 3 221.300 1.561 20 10 BDCDHN CN(C)c1ccc(CNC[C@H]2COCO2)cc1 ZINC000894868903 583538881 /nfs/dbraw/zinc/53/88/81/583538881.db2.gz NOLBDLRGXJUIJH-ZDUSSCGKSA-N 0 3 236.315 1.215 20 10 BDCDHN CCN1CC[C@@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000895671331 583706470 /nfs/dbraw/zinc/70/64/70/583706470.db2.gz JPQLTKQJLXXSGD-CYBMUJFWSA-N 0 3 234.343 1.884 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785198 583727273 /nfs/dbraw/zinc/72/72/73/583727273.db2.gz RRHJZEIUDMZESB-SCDSUCTJSA-N 0 3 233.311 1.595 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785198 583727274 /nfs/dbraw/zinc/72/72/74/583727274.db2.gz RRHJZEIUDMZESB-SCDSUCTJSA-N 0 3 233.311 1.595 20 10 BDCDHN C[C@H]([NH2+]C1CCN(C=O)CC1)c1ccccc1[O-] ZINC000895852354 583737142 /nfs/dbraw/zinc/73/71/42/583737142.db2.gz SSRCNWDAUAIOLE-NSHDSACASA-N 0 3 248.326 1.664 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)c([O-])c1 ZINC000896554511 583811525 /nfs/dbraw/zinc/81/15/25/583811525.db2.gz ULQUBPYUMWHJHT-WCQYABFASA-N 0 3 234.343 1.883 20 10 BDCDHN Cc1cccc(C[NH2+]CC[C@@H]2CNC(=O)C2)c1[O-] ZINC000896899204 583850201 /nfs/dbraw/zinc/85/02/01/583850201.db2.gz TZVHOWAAAYDWDB-NSHDSACASA-N 0 3 248.326 1.316 20 10 BDCDHN CN1C[C@H]([N@H+](C)Cc2ccccc2[O-])CCC1=O ZINC000862428999 583962568 /nfs/dbraw/zinc/96/25/68/583962568.db2.gz ZIUWNUDJQDSKQT-GFCCVEGCSA-N 0 3 248.326 1.445 20 10 BDCDHN CN1C[C@H]([N@@H+](C)Cc2ccccc2[O-])CCC1=O ZINC000862428999 583962569 /nfs/dbraw/zinc/96/25/69/583962569.db2.gz ZIUWNUDJQDSKQT-GFCCVEGCSA-N 0 3 248.326 1.445 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1C ZINC000897683428 584040367 /nfs/dbraw/zinc/04/03/67/584040367.db2.gz DDSRVAHVOJHRFF-SMDDNHRTSA-N 0 3 235.327 1.822 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1C ZINC000897683428 584040368 /nfs/dbraw/zinc/04/03/68/584040368.db2.gz DDSRVAHVOJHRFF-SMDDNHRTSA-N 0 3 235.327 1.822 20 10 BDCDHN CC(C)C[C@H](CN)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841038020 584083333 /nfs/dbraw/zinc/08/33/33/584083333.db2.gz FVOINLQXOPXSSC-GFCCVEGCSA-N 0 3 240.322 1.994 20 10 BDCDHN CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1[O-] ZINC000858495009 588960653 /nfs/dbraw/zinc/96/06/53/588960653.db2.gz RBUYHCYPMCUARF-NHCYSSNCSA-N 0 3 248.326 1.697 20 10 BDCDHN COc1cc(C)cc(CN2CC[C@@H]2CO)c1O ZINC000902629257 584646442 /nfs/dbraw/zinc/64/64/42/584646442.db2.gz ARVGDIKOIIGDRH-LLVKDONJSA-N 0 3 237.299 1.276 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](O)C1CC1 ZINC000734844751 584968769 /nfs/dbraw/zinc/96/87/69/584968769.db2.gz UFHRGSRCAPHZSD-LBPRGKRZSA-N 0 3 237.299 1.261 20 10 BDCDHN C[C@H](CN)[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817965897 584993383 /nfs/dbraw/zinc/99/33/83/584993383.db2.gz FADKZQPUNAYFNI-HTQZYQBOSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H](N)C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971848 584993808 /nfs/dbraw/zinc/99/38/08/584993808.db2.gz HTTHQUSQVAMYDZ-RQJHMYQMSA-N 0 3 230.258 1.668 20 10 BDCDHN C[C@@H]([NH3+])CN[C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971848 584993809 /nfs/dbraw/zinc/99/38/09/584993809.db2.gz HTTHQUSQVAMYDZ-RQJHMYQMSA-N 0 3 230.258 1.668 20 10 BDCDHN CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000839192034 585097600 /nfs/dbraw/zinc/09/76/00/585097600.db2.gz GMONDXUOBZMMFA-CMPLNLGQSA-N 0 3 241.262 1.035 20 10 BDCDHN CO[C@@H]1COC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000839193577 585097975 /nfs/dbraw/zinc/09/79/75/585097975.db2.gz SRTOTIGARQEDNW-GXTWGEPZSA-N 0 3 249.310 1.125 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](CO)CC2CC2)c1 ZINC000754835930 585291432 /nfs/dbraw/zinc/29/14/32/585291432.db2.gz YGJLBEFMQQXVEP-CYBMUJFWSA-N 0 3 235.327 1.951 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768443969 585538776 /nfs/dbraw/zinc/53/87/76/585538776.db2.gz KEISHHWBFQAHRR-NOZJJQNGSA-N 0 3 249.310 1.660 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2cc3c(cc2[O-])OC[C@H]3O)C1 ZINC000768443969 585538777 /nfs/dbraw/zinc/53/87/77/585538777.db2.gz KEISHHWBFQAHRR-NOZJJQNGSA-N 0 3 249.310 1.660 20 10 BDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC1 ZINC000768443867 585538919 /nfs/dbraw/zinc/53/89/19/585538919.db2.gz VLPMLVLWMJPDGX-ZDUSSCGKSA-N 0 3 249.310 1.660 20 10 BDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@@H]2O)CC1CC1 ZINC000768443867 585538920 /nfs/dbraw/zinc/53/89/20/585538920.db2.gz VLPMLVLWMJPDGX-ZDUSSCGKSA-N 0 3 249.310 1.660 20 10 BDCDHN COc1cccc(O)c1CN(C)[C@H]1CCOC1 ZINC000769332224 585553914 /nfs/dbraw/zinc/55/39/14/585553914.db2.gz ZCFGHWNWYNISSB-JTQLQIEISA-N 0 3 237.299 1.622 20 10 BDCDHN CCOc1ccc(C[N@H+](C)C[C@H](C)O)c([O-])c1 ZINC000776520802 585699938 /nfs/dbraw/zinc/69/99/38/585699938.db2.gz GTSQWPRRNIFAPI-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1ccc(C[N@@H+](C)C[C@H](C)O)c([O-])c1 ZINC000776520802 585699939 /nfs/dbraw/zinc/69/99/39/585699939.db2.gz GTSQWPRRNIFAPI-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC[C@H]1CCO ZINC000779201202 585746907 /nfs/dbraw/zinc/74/69/07/585746907.db2.gz BQTYFDZAXVHLGZ-LBPRGKRZSA-N 0 3 239.290 1.878 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC[C@H]1CCO ZINC000779201202 585746908 /nfs/dbraw/zinc/74/69/08/585746908.db2.gz BQTYFDZAXVHLGZ-LBPRGKRZSA-N 0 3 239.290 1.878 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783746558 585841837 /nfs/dbraw/zinc/84/18/37/585841837.db2.gz YGLKLWHLSNMBQF-GXTWGEPZSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783746558 585841838 /nfs/dbraw/zinc/84/18/38/585841838.db2.gz YGLKLWHLSNMBQF-GXTWGEPZSA-N 0 3 233.311 1.515 20 10 BDCDHN C[C@H]1CN(Cc2ccc(N(C)C)cc2)CCN1C ZINC000785765152 585880143 /nfs/dbraw/zinc/88/01/43/585880143.db2.gz DGHNZUUMLUZLEV-ZDUSSCGKSA-N 0 3 247.386 1.889 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1[O-] ZINC000788268582 585920274 /nfs/dbraw/zinc/92/02/74/585920274.db2.gz GKHCDJNANZDBNI-KOLCDFICSA-N 0 3 207.273 1.347 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1[O-] ZINC000788268582 585920275 /nfs/dbraw/zinc/92/02/75/585920275.db2.gz GKHCDJNANZDBNI-KOLCDFICSA-N 0 3 207.273 1.347 20 10 BDCDHN C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000788270027 585920329 /nfs/dbraw/zinc/92/03/29/585920329.db2.gz OIUGDDMGNQZWJU-GZMMTYOYSA-N 0 3 225.263 1.486 20 10 BDCDHN C[C@H]1C[C@@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000788270027 585920330 /nfs/dbraw/zinc/92/03/30/585920330.db2.gz OIUGDDMGNQZWJU-GZMMTYOYSA-N 0 3 225.263 1.486 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC1=CCCOC1 ZINC000808429425 586472303 /nfs/dbraw/zinc/47/23/03/586472303.db2.gz BTICPMDNZVWBKI-UHFFFAOYSA-N 0 3 249.310 1.837 20 10 BDCDHN CCOc1ccc([O-])c(C[N@H+](C)[C@H](C)CO)c1 ZINC000809745361 586516831 /nfs/dbraw/zinc/51/68/31/586516831.db2.gz HMRVSUMVJUCBLK-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1ccc([O-])c(C[N@@H+](C)[C@H](C)CO)c1 ZINC000809745361 586516832 /nfs/dbraw/zinc/51/68/32/586516832.db2.gz HMRVSUMVJUCBLK-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CC[N@H+](Cc1cc(OC)ccc1[O-])[C@@H](C)CO ZINC000816653606 586752861 /nfs/dbraw/zinc/75/28/61/586752861.db2.gz ALUABBIVVCQILI-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CC[N@@H+](Cc1cc(OC)ccc1[O-])[C@@H](C)CO ZINC000816653606 586752862 /nfs/dbraw/zinc/75/28/62/586752862.db2.gz ALUABBIVVCQILI-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN Nc1ccc(CCNC(=O)[C@H](N)C2CCC2)cc1 ZINC000817859014 586830493 /nfs/dbraw/zinc/83/04/93/586830493.db2.gz LTUSMIFPOJYLNS-CYBMUJFWSA-N 0 3 247.342 1.055 20 10 BDCDHN Cc1cc(Cl)cc([C@@H](C)[NH2+]CCN)c1[O-] ZINC000817937612 586844616 /nfs/dbraw/zinc/84/46/16/586844616.db2.gz YKDMECOPRATMEY-MRVPVSSYSA-N 0 3 228.723 1.963 20 10 BDCDHN Cc1ccc([C@H](C)N[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000817944586 586846236 /nfs/dbraw/zinc/84/62/36/586846236.db2.gz HGRSXBNSDIXAFX-QWRGUYRKSA-N 0 3 220.316 1.713 20 10 BDCDHN C[C@H](CN)[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000817966282 586855440 /nfs/dbraw/zinc/85/54/40/586855440.db2.gz KHDXHVNKKFDADO-HTQZYQBOSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1[O-] ZINC000817977640 586861232 /nfs/dbraw/zinc/86/12/32/586861232.db2.gz MFCQYIGPYXNUKX-XDRUHAPNSA-N 0 3 236.290 1.400 20 10 BDCDHN COC[C@](C)(O)CC[NH2+]Cc1ccccc1[O-] ZINC000824559383 587276385 /nfs/dbraw/zinc/27/63/85/587276385.db2.gz RXMSVTFVHDKYFY-CYBMUJFWSA-N 0 3 239.315 1.269 20 10 BDCDHN C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000825104004 587304621 /nfs/dbraw/zinc/30/46/21/587304621.db2.gz KACWMQZYYDWHRY-LDYMZIIASA-N 0 3 225.263 1.486 20 10 BDCDHN C[C@@H]1[C@H](O)CC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000825104004 587304623 /nfs/dbraw/zinc/30/46/23/587304623.db2.gz KACWMQZYYDWHRY-LDYMZIIASA-N 0 3 225.263 1.486 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825257059 587311237 /nfs/dbraw/zinc/31/12/37/587311237.db2.gz SMJONYQAXQIIJP-DTORHVGOSA-N 0 3 223.272 1.014 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827291906 587375779 /nfs/dbraw/zinc/37/57/79/587375779.db2.gz NHQSLLUFAYXOIM-GXTWGEPZSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827291906 587375780 /nfs/dbraw/zinc/37/57/80/587375780.db2.gz NHQSLLUFAYXOIM-GXTWGEPZSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC(=O)N(C)CC2)c1 ZINC000827359560 587378199 /nfs/dbraw/zinc/37/81/99/587378199.db2.gz PMTXYKGXSXLZGQ-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCC(=O)N(C)CC2)c1 ZINC000827359560 587378200 /nfs/dbraw/zinc/37/82/00/587378200.db2.gz PMTXYKGXSXLZGQ-UHFFFAOYSA-N 0 3 248.326 1.365 20 10 BDCDHN CN(C)c1ccc(/C=C\CN[C@H]2C[C@@H](O)C2)cc1 ZINC000835054317 587779624 /nfs/dbraw/zinc/77/96/24/587779624.db2.gz JWKRTKKGNKTYIK-DSVOZPAFSA-N 0 3 246.354 1.879 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H](CN)C2CC2)c1[O-] ZINC000841028772 587936348 /nfs/dbraw/zinc/93/63/48/587936348.db2.gz RLYPBXPXTKBPFB-LBPRGKRZSA-N 0 3 220.316 1.528 20 10 BDCDHN COc1cccc([O-])c1CNC[C@@H]1CCC[NH2+]1 ZINC000841036604 587938032 /nfs/dbraw/zinc/93/80/32/587938032.db2.gz SLRVWECWYWRRON-JTQLQIEISA-N 0 3 236.315 1.242 20 10 BDCDHN [O-]c1c(Cl)cccc1CN[C@@H]1CCC[NH2+]C1 ZINC000841043843 587938986 /nfs/dbraw/zinc/93/89/86/587938986.db2.gz XIJVCPFKTOKFHU-SNVBAGLBSA-N 0 3 240.734 1.887 20 10 BDCDHN [O-]c1cccc(Cl)c1CN[C@H]1CCC[NH2+]C1 ZINC000841043868 587939244 /nfs/dbraw/zinc/93/92/44/587939244.db2.gz YBUMHHTUYNGKDL-VIFPVBQESA-N 0 3 240.734 1.887 20 10 BDCDHN CC(C)(C)[C@H](CN)[NH2+]Cc1cccc(F)c1[O-] ZINC000841087667 587946067 /nfs/dbraw/zinc/94/60/67/587946067.db2.gz POTLGYODQJDGJN-NSHDSACASA-N 0 3 240.322 1.994 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1[O-] ZINC000841891745 587982036 /nfs/dbraw/zinc/98/20/36/587982036.db2.gz PFVIPCDOANWXGV-BJHJDKERSA-N 0 3 221.300 1.704 20 10 BDCDHN C[N@H+](Cc1cccc(F)c1[O-])C1CCNCC1 ZINC000843046454 588075749 /nfs/dbraw/zinc/07/57/49/588075749.db2.gz WPMJJZFVJRRPBA-UHFFFAOYSA-N 0 3 238.306 1.715 20 10 BDCDHN C[N@@H+](Cc1cccc(F)c1[O-])C1CCNCC1 ZINC000843046454 588075751 /nfs/dbraw/zinc/07/57/51/588075751.db2.gz WPMJJZFVJRRPBA-UHFFFAOYSA-N 0 3 238.306 1.715 20 10 BDCDHN CN(Cc1cccc(F)c1[O-])C1CC[NH2+]CC1 ZINC000843046454 588075753 /nfs/dbraw/zinc/07/57/53/588075753.db2.gz WPMJJZFVJRRPBA-UHFFFAOYSA-N 0 3 238.306 1.715 20 10 BDCDHN C[C@H]1CN(Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843051422 588077267 /nfs/dbraw/zinc/07/72/67/588077267.db2.gz HFVBPQZNKFFJFL-CABZTGNLSA-N 0 3 238.306 1.700 20 10 BDCDHN CN(Cc1cccc(F)c1[O-])C1CC([NH3+])C1 ZINC000843125620 588084071 /nfs/dbraw/zinc/08/40/71/588084071.db2.gz ZASJWVLEHBPITQ-UHFFFAOYSA-N 0 3 224.279 1.453 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846073882 588255481 /nfs/dbraw/zinc/25/54/81/588255481.db2.gz SKTILCVJWPJCQR-UDZFHETQSA-N 0 3 249.310 1.810 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)[C@H](C)CCO ZINC000846111896 588257427 /nfs/dbraw/zinc/25/74/27/588257427.db2.gz RWSUWEZFHJWZPJ-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)[C@H](C)CCO ZINC000846111896 588257428 /nfs/dbraw/zinc/25/74/28/588257428.db2.gz RWSUWEZFHJWZPJ-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN COc1cccc(CNC2=[NH+]CCCCN2)c1[O-] ZINC000849215730 588462365 /nfs/dbraw/zinc/46/23/65/588462365.db2.gz AEFGDDWXFZWEFL-UHFFFAOYSA-N 0 3 249.314 1.230 20 10 BDCDHN CON(C)CC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000850476914 588549531 /nfs/dbraw/zinc/54/95/31/588549531.db2.gz CMFSBEBDTQIVHI-NSHDSACASA-N 0 3 236.315 1.462 20 10 BDCDHN CC[C@@H]([NH2+]CCN(C)OC)c1ccccc1[O-] ZINC000850479158 588550690 /nfs/dbraw/zinc/55/06/90/588550690.db2.gz MPCOOTDJIPKODI-GFCCVEGCSA-N 0 3 238.331 1.926 20 10 BDCDHN Cc1cc(N(C)C)ccc1CNCc1c[nH]nn1 ZINC000862424516 589211644 /nfs/dbraw/zinc/21/16/44/589211644.db2.gz RCWFEYWURXPZSQ-UHFFFAOYSA-N 0 3 245.330 1.469 20 10 BDCDHN COc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1OC ZINC000862444167 589214027 /nfs/dbraw/zinc/21/40/27/589214027.db2.gz YYHRCGDGOHDQCE-AOOOYVTPSA-N 0 3 249.310 1.861 20 10 BDCDHN COc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3C2)cc1OC ZINC000862444167 589214029 /nfs/dbraw/zinc/21/40/29/589214029.db2.gz YYHRCGDGOHDQCE-AOOOYVTPSA-N 0 3 249.310 1.861 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862444047 589214090 /nfs/dbraw/zinc/21/40/90/589214090.db2.gz WXGREWVCIAYBIF-AOOOYVTPSA-N 0 3 219.284 1.853 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862444047 589214092 /nfs/dbraw/zinc/21/40/92/589214092.db2.gz WXGREWVCIAYBIF-AOOOYVTPSA-N 0 3 219.284 1.853 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000862546177 589219676 /nfs/dbraw/zinc/21/96/76/589219676.db2.gz HYALRLSRIAXORD-VXGBXAGGSA-N 0 3 247.294 1.305 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000862546177 589219678 /nfs/dbraw/zinc/21/96/78/589219678.db2.gz HYALRLSRIAXORD-VXGBXAGGSA-N 0 3 247.294 1.305 20 10 BDCDHN C[C@H]1CC[C@H](NCc2cc(F)ccc2[O-])C[NH2+]1 ZINC000863484629 589293237 /nfs/dbraw/zinc/29/32/37/589293237.db2.gz KDHJOHLQDZFPQV-CABZTGNLSA-N 0 3 238.306 1.761 20 10 BDCDHN CN(C[C@@H]1CCC2(CNC2)O1)c1ccc(N)cc1 ZINC000863558631 589298776 /nfs/dbraw/zinc/29/87/76/589298776.db2.gz QBSKXYYUNLOAEU-ZDUSSCGKSA-N 0 3 247.342 1.226 20 10 BDCDHN COc1ccc(CNC(=[NH2+])N[C@H]2C[C@@H]2C)c([O-])c1 ZINC000864465426 589371060 /nfs/dbraw/zinc/37/10/60/589371060.db2.gz WJGUAGWULLINKN-KWQFWETISA-N 0 3 249.314 1.423 20 10 BDCDHN [O-]c1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873217472 589997766 /nfs/dbraw/zinc/99/77/66/589997766.db2.gz MLVTYYRBRYPJLP-TXEJJXNPSA-N 0 3 236.290 1.468 20 10 BDCDHN COCC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000020085590 590072939 /nfs/dbraw/zinc/07/29/39/590072939.db2.gz YARDXGAUZIHGPV-SNVBAGLBSA-N 0 3 209.289 1.998 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000876522912 590207754 /nfs/dbraw/zinc/20/77/54/590207754.db2.gz GGZBIDMQKNNZDW-LLVKDONJSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)c([O-])c1 ZINC000876522912 590207755 /nfs/dbraw/zinc/20/77/55/590207755.db2.gz GGZBIDMQKNNZDW-LLVKDONJSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1ccc(CN2CCCC[C@H]2C(N)=O)c(O)c1 ZINC000876539520 590212305 /nfs/dbraw/zinc/21/23/05/590212305.db2.gz JOISNHINMFTXJH-LBPRGKRZSA-N 0 3 248.326 1.540 20 10 BDCDHN CC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000876915670 590256449 /nfs/dbraw/zinc/25/64/49/590256449.db2.gz XKWAVBSTOSJRIX-CYBMUJFWSA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCCCNC2=O)c([O-])c1 ZINC000876926449 590257882 /nfs/dbraw/zinc/25/78/82/590257882.db2.gz VIEFZVUQHHASES-GFCCVEGCSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2CCOC2)c([O-])c1 ZINC000876930127 590258351 /nfs/dbraw/zinc/25/83/51/590258351.db2.gz LVUHOSLKDNYDNH-LLVKDONJSA-N 0 3 221.300 1.827 20 10 BDCDHN Cc1nccn1CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876991936 590266316 /nfs/dbraw/zinc/26/63/16/590266316.db2.gz WPNSHORDEDJFHR-UHFFFAOYSA-N 0 3 245.326 1.995 20 10 BDCDHN Cc1ccc(C[NH2+]CCC[S@@](C)=O)c([O-])c1 ZINC000877051946 590274812 /nfs/dbraw/zinc/27/48/12/590274812.db2.gz ONETXCLNDLPDIQ-MRXNPFEDSA-N 0 3 241.356 1.559 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)CCO ZINC000877052244 590275137 /nfs/dbraw/zinc/27/51/37/590275137.db2.gz UDADQXSWWMXIOQ-JTQLQIEISA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000877053117 590275327 /nfs/dbraw/zinc/27/53/27/590275327.db2.gz CZAOPYSLOKSOSK-LLVKDONJSA-N 0 3 248.326 1.411 20 10 BDCDHN CCN[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074399 590278249 /nfs/dbraw/zinc/27/82/49/590278249.db2.gz IYDXBCZDQNFIJG-SECBINFHSA-N 0 3 221.304 1.230 20 10 BDCDHN CC(C)[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877079153 590279475 /nfs/dbraw/zinc/27/94/75/590279475.db2.gz SNVFNVQGZNGTDN-NSHDSACASA-N 0 3 221.304 1.215 20 10 BDCDHN CN(C(=O)[C@@H](N)C(C)(C)C)c1ccc(N)cc1 ZINC000877079463 590279676 /nfs/dbraw/zinc/27/96/76/590279676.db2.gz ZGXLSODNDKYNRK-LLVKDONJSA-N 0 3 235.331 1.605 20 10 BDCDHN COC[C@H](O)CC[NH2+]Cc1ccc(C)cc1[O-] ZINC000877125507 590289835 /nfs/dbraw/zinc/28/98/35/590289835.db2.gz OBNASCVAGPFPHK-GFCCVEGCSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)c([O-])c1 ZINC000877195860 590299705 /nfs/dbraw/zinc/29/97/05/590299705.db2.gz PBDIYTNQKWHZFV-GHMZBOCLSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)C[S@@](C)=O ZINC000877310524 590312497 /nfs/dbraw/zinc/31/24/97/590312497.db2.gz NQQGBSLUTOYRMO-MGPLVRAMSA-N 0 3 241.356 1.557 20 10 BDCDHN Cc1ccc(C[N@H+](C)CC2CC(O)C2)c([O-])c1 ZINC000877466113 590333640 /nfs/dbraw/zinc/33/36/40/590333640.db2.gz XWLZLBVBXHWJSC-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+](C)CC2CC(O)C2)c([O-])c1 ZINC000877466113 590333643 /nfs/dbraw/zinc/33/36/43/590333643.db2.gz XWLZLBVBXHWJSC-UHFFFAOYSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCc1cn[nH]c1 ZINC000877539394 590350779 /nfs/dbraw/zinc/35/07/79/590350779.db2.gz LNQXLOQJSNWYFK-UHFFFAOYSA-N 0 3 231.299 1.756 20 10 BDCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@@H](C)O ZINC000877567833 590361638 /nfs/dbraw/zinc/36/16/38/590361638.db2.gz BUIQKSBWIALVJN-PWSUYJOCSA-N 0 3 223.316 1.950 20 10 BDCDHN CC[C@H]([NH2+]Cc1c(C)cccc1[O-])[C@@H](C)O ZINC000877569078 590362416 /nfs/dbraw/zinc/36/24/16/590362416.db2.gz ZJOJPWFWQPXVHP-PWSUYJOCSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1ccc(C[NH2+]C/C=C\CO)c([O-])c1 ZINC000877624059 590377213 /nfs/dbraw/zinc/37/72/13/590377213.db2.gz IFYBJGIXTDUVON-IHWYPQMZSA-N 0 3 207.273 1.339 20 10 BDCDHN CCn1nncc1CNCc1ccc(C)cc1O ZINC000877647491 590383878 /nfs/dbraw/zinc/38/38/78/590383878.db2.gz DELUGXMWBBSRKS-UHFFFAOYSA-N 0 3 246.314 1.602 20 10 BDCDHN CN(Cc1c([O-])cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000128326876 590991957 /nfs/dbraw/zinc/99/19/57/590991957.db2.gz YCWWYTYBFFTVFO-SECBINFHSA-N 0 3 240.734 1.839 20 10 BDCDHN Cc1cc(Cl)cc(C[NH2+][C@H](C)C(N)=O)c1[O-] ZINC000134415875 591926502 /nfs/dbraw/zinc/92/65/02/591926502.db2.gz GVYFFLJFBVKXCH-SSDOTTSWSA-N 0 3 242.706 1.317 20 10 BDCDHN C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000136822214 592151394 /nfs/dbraw/zinc/15/13/94/592151394.db2.gz JDVONYTWGVEICU-VXGBXAGGSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H](O)[C@@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000136822214 592151396 /nfs/dbraw/zinc/15/13/96/592151396.db2.gz JDVONYTWGVEICU-VXGBXAGGSA-N 0 3 235.327 1.985 20 10 BDCDHN C[NH2+][C@@H]1CCCN(Cc2cc(F)ccc2[O-])C1 ZINC000219862818 592259567 /nfs/dbraw/zinc/25/95/67/592259567.db2.gz ZBDLGTPZNMLHKF-GFCCVEGCSA-N 0 3 238.306 1.715 20 10 BDCDHN C[NH2+]C[C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000219964164 592269301 /nfs/dbraw/zinc/26/93/01/592269301.db2.gz VKKMXWZKILFJTH-SNVBAGLBSA-N 0 3 238.306 1.573 20 10 BDCDHN [NH2+]=C(NCc1ccccc1[O-])NCC1CC1 ZINC000887348563 592484626 /nfs/dbraw/zinc/48/46/26/592484626.db2.gz OANUNGXWGGZFGZ-UHFFFAOYSA-N 0 3 219.288 1.416 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC[C@H](C)O ZINC000309917389 632680723 /nfs/dbraw/zinc/68/07/23/632680723.db2.gz QEJUIIYBGDSKMD-VIFPVBQESA-N 0 3 225.288 1.261 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@H]1CCCO1 ZINC000725841689 632764799 /nfs/dbraw/zinc/76/47/99/632764799.db2.gz UXZFHNPANNSFDD-SNVBAGLBSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)c([O-])c1 ZINC000189109055 634163590 /nfs/dbraw/zinc/16/35/90/634163590.db2.gz PRSUEIAYVYYFIK-UWVGGRQHSA-N 0 3 239.315 1.914 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440127 636627775 /nfs/dbraw/zinc/62/77/75/636627775.db2.gz DRMMRAQJFIGLOK-AOOOYVTPSA-N 0 3 219.284 1.853 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440127 636627780 /nfs/dbraw/zinc/62/77/80/636627780.db2.gz DRMMRAQJFIGLOK-AOOOYVTPSA-N 0 3 219.284 1.853 20 10 BDCDHN CCOc1ccc(C[NH2+]CCCON)c([O-])c1 ZINC000904457945 637419156 /nfs/dbraw/zinc/41/91/56/637419156.db2.gz WLEHEQYFUHILGJ-UHFFFAOYSA-N 0 3 240.303 1.161 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1COCCO1 ZINC000226585519 640778064 /nfs/dbraw/zinc/77/80/64/640778064.db2.gz JUUDPLWHSZPMTR-NSHDSACASA-N 0 3 241.262 1.036 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000230162482 641033036 /nfs/dbraw/zinc/03/30/36/641033036.db2.gz DAHAPXXJMSHNIM-NSHDSACASA-N 0 3 221.300 1.908 20 10 BDCDHN CC1(C)OCC([NH2+]Cc2ccccc2[O-])CO1 ZINC000230695500 641082367 /nfs/dbraw/zinc/08/23/67/641082367.db2.gz HVLKLGQTQRWDGX-UHFFFAOYSA-N 0 3 237.299 1.633 20 10 BDCDHN Cn1nccc1CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000231036701 641127700 /nfs/dbraw/zinc/12/77/00/641127700.db2.gz CMGURJXUDDMBMG-UHFFFAOYSA-N 0 3 249.289 1.597 20 10 BDCDHN Cn1cnc(CC[NH2+]Cc2ccccc2[O-])c1 ZINC000313263182 641546397 /nfs/dbraw/zinc/54/63/97/641546397.db2.gz LJRGWLDEUCQEOG-UHFFFAOYSA-N 0 3 231.299 1.458 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccccc2[O-])[C@@H]1CO ZINC000191179426 641906138 /nfs/dbraw/zinc/90/61/38/641906138.db2.gz ZVPANAHJGCLZTH-ZYHUDNBSSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccccc2[O-])[C@@H]1CO ZINC000191179426 641906141 /nfs/dbraw/zinc/90/61/41/641906141.db2.gz ZVPANAHJGCLZTH-ZYHUDNBSSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1[O-] ZINC000070880984 643074952 /nfs/dbraw/zinc/07/49/52/643074952.db2.gz LEMYBCKYWASALJ-NOZJJQNGSA-N 0 3 221.300 1.814 20 10 BDCDHN CC[C@@H]([NH2+]C[C@H](O)COC)c1ccccc1[O-] ZINC000071269700 643113449 /nfs/dbraw/zinc/11/34/49/643113449.db2.gz CBJJIYBUZVNTMR-CMPLNLGQSA-N 0 3 239.315 1.440 20 10 BDCDHN C[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1[O-] ZINC000083368872 643439779 /nfs/dbraw/zinc/43/97/79/643439779.db2.gz AESBLMFNBKDVMY-SECBINFHSA-N 0 3 240.734 1.839 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H](C)C[C@H](C)O ZINC000782977465 644749694 /nfs/dbraw/zinc/74/96/94/644749694.db2.gz FXFSVXNQGGFYMZ-UWVGGRQHSA-N 0 3 239.315 1.650 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC(C)(C)O ZINC000390459119 711119462 /nfs/dbraw/zinc/11/94/62/711119462.db2.gz FBZMZLXARQSHPV-UHFFFAOYSA-N 0 3 225.288 1.261 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000398363910 711409992 /nfs/dbraw/zinc/40/99/92/711409992.db2.gz YXXMYUUUDVFAQI-NXEZZACHSA-N 0 3 234.299 1.179 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]CC1(CO)CC1)CC2 ZINC000383842227 710951508 /nfs/dbraw/zinc/95/15/08/710951508.db2.gz KOHJYVZSIDRCRA-NSHDSACASA-N 0 3 233.311 1.742 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724661986 711606690 /nfs/dbraw/zinc/60/66/90/711606690.db2.gz AKSUXCVNOBJTHN-BZPMIXESSA-N 0 3 249.310 1.286 20 10 BDCDHN CON(C)C(=O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000397521998 711705960 /nfs/dbraw/zinc/70/59/60/711705960.db2.gz JWUGWOHYVXCYEB-VIFPVBQESA-N 0 3 238.287 1.063 20 10 BDCDHN CON(C)C(=O)CN[C@@H](C)c1ccccc1O ZINC000397521998 711705962 /nfs/dbraw/zinc/70/59/62/711705962.db2.gz JWUGWOHYVXCYEB-VIFPVBQESA-N 0 3 238.287 1.063 20 10 BDCDHN CN(C)CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708480111 712181173 /nfs/dbraw/zinc/18/11/73/712181173.db2.gz DNLKJIDMVMYLRX-UHFFFAOYSA-N 0 3 244.285 1.712 20 10 BDCDHN c1cc(CNCC2OCCCO2)cc2c1OCC2 ZINC000716369880 712556906 /nfs/dbraw/zinc/55/69/06/712556906.db2.gz DFDRLBLKEGPRAC-UHFFFAOYSA-N 0 3 249.310 1.474 20 10 BDCDHN OC/C=C\CNCc1ccc2c(c1)CCO2 ZINC000717532498 712660658 /nfs/dbraw/zinc/66/06/58/712660658.db2.gz JWYPWEREGSHURQ-UPHRSURJSA-N 0 3 219.284 1.260 20 10 BDCDHN C[C@H]([NH2+]Cc1cn[nH]c1)c1ccccc1[O-] ZINC000038005876 712798723 /nfs/dbraw/zinc/79/87/23/712798723.db2.gz UJTFVCYXRNMADA-VIFPVBQESA-N 0 3 217.272 1.966 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCNC1=O)c1cc(F)ccc1[O-] ZINC000693908730 959532011 /nfs/dbraw/zinc/53/20/11/959532011.db2.gz RNVOQJOAOAXQIA-XVKPBYJWSA-N 0 3 238.262 1.070 20 10 BDCDHN C[C@@H]1CCN(CC[NH2+]Cc2ccccc2[O-])C1 ZINC000692601764 960333232 /nfs/dbraw/zinc/33/32/32/960333232.db2.gz FOZHECGSHDWEDD-GFCCVEGCSA-N 0 3 234.343 1.824 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])[C@H]1CCN(C)C1 ZINC000710529725 962404949 /nfs/dbraw/zinc/40/49/49/962404949.db2.gz CGHPCSGEWDQLKY-ZDUSSCGKSA-N 0 3 234.343 1.918 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H]1CCN(C)C1 ZINC000710529725 962404957 /nfs/dbraw/zinc/40/49/57/962404957.db2.gz CGHPCSGEWDQLKY-ZDUSSCGKSA-N 0 3 234.343 1.918 20 10 BDCDHN Nc1cccc(NCc2ccc(O)c(O)c2)n1 ZINC001158994834 963969721 /nfs/dbraw/zinc/96/97/21/963969721.db2.gz YIOUQTQGJKIIRI-UHFFFAOYSA-N 0 3 231.255 1.687 20 10 BDCDHN NCc1cc(NCc2ccc(N)cc2)ncn1 ZINC001162783929 965171606 /nfs/dbraw/zinc/17/16/06/965171606.db2.gz CNTQPVVDPPAGQC-UHFFFAOYSA-N 0 3 229.287 1.130 20 10 BDCDHN COc1ccc(CN2CC[C@@]23CCOC3)c(O)c1 ZINC001203634883 966716887 /nfs/dbraw/zinc/71/68/87/966716887.db2.gz ZPIQUJDHOYMJGD-AWEZNQCLSA-N 0 3 249.310 1.766 20 10 BDCDHN COc1ccc(CN2CC[C@]23CCOC3)c(O)c1 ZINC001203634884 966717293 /nfs/dbraw/zinc/71/72/93/966717293.db2.gz ZPIQUJDHOYMJGD-CQSZACIVSA-N 0 3 249.310 1.766 20 10 BDCDHN C[C@@H]1[C@H](CO)CCN1Cc1ccc(O)c(O)c1 ZINC001203874908 966805359 /nfs/dbraw/zinc/80/53/59/966805359.db2.gz FAFNBLIIHMVYKZ-KOLCDFICSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C[C@H]1O ZINC001204276073 966951521 /nfs/dbraw/zinc/95/15/21/966951521.db2.gz FTJDUFXMHQKIHH-NOZJJQNGSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C[C@H]1O ZINC001204276073 966951529 /nfs/dbraw/zinc/95/15/29/966951529.db2.gz FTJDUFXMHQKIHH-NOZJJQNGSA-N 0 3 237.299 1.301 20 10 BDCDHN CC[N@H+](CCOC)Cc1ccc(O)cc1[O-] ZINC001204272211 966955134 /nfs/dbraw/zinc/95/51/34/966955134.db2.gz JRQRYGOEYQCRRD-UHFFFAOYSA-N 0 3 225.288 1.566 20 10 BDCDHN CC[N@@H+](CCOC)Cc1ccc(O)cc1[O-] ZINC001204272211 966955137 /nfs/dbraw/zinc/95/51/37/966955137.db2.gz JRQRYGOEYQCRRD-UHFFFAOYSA-N 0 3 225.288 1.566 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC[C@@H]1O ZINC001204276096 966956019 /nfs/dbraw/zinc/95/60/19/966956019.db2.gz GLLFPMKIAKDNBR-CABZTGNLSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC[C@@H]1O ZINC001204276096 966956023 /nfs/dbraw/zinc/95/60/23/966956023.db2.gz GLLFPMKIAKDNBR-CABZTGNLSA-N 0 3 237.299 1.301 20 10 BDCDHN Oc1ccc(CN2CC3(CSC3)C2)c(O)c1 ZINC001204278102 966960805 /nfs/dbraw/zinc/96/08/05/966960805.db2.gz SWXQFNZDHJYIOF-UHFFFAOYSA-N 0 3 237.324 1.647 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@]12CCOC2 ZINC001204279962 966960825 /nfs/dbraw/zinc/96/08/25/966960825.db2.gz GPEULJRTOMGWRI-AWEZNQCLSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@]12CCOC2 ZINC001204279962 966960831 /nfs/dbraw/zinc/96/08/31/966960831.db2.gz GPEULJRTOMGWRI-AWEZNQCLSA-N 0 3 249.310 1.853 20 10 BDCDHN CN1CC[C@H]2C[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203558490 967009929 /nfs/dbraw/zinc/00/99/29/967009929.db2.gz KGKVPNFOPYEGLX-WCQYABFASA-N 0 3 232.327 1.528 20 10 BDCDHN CN1CC[C@H]2C[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC001203558490 967009936 /nfs/dbraw/zinc/00/99/36/967009936.db2.gz KGKVPNFOPYEGLX-WCQYABFASA-N 0 3 232.327 1.528 20 10 BDCDHN C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc(F)c1[O-] ZINC001205068166 967326063 /nfs/dbraw/zinc/32/60/63/967326063.db2.gz DSHSIUFKTVTOIP-ONGXEEELSA-N 0 3 238.306 1.843 20 10 BDCDHN COc1ccc(C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)c([O-])c1 ZINC001205517271 967657647 /nfs/dbraw/zinc/65/76/47/967657647.db2.gz LPTDQWNOHUOFRE-KGYLQXTDSA-N 0 3 249.310 1.525 20 10 BDCDHN COc1ccc(C[NH2+][C@H]2CCOC2)c([O-])c1 ZINC000087784037 968857827 /nfs/dbraw/zinc/85/78/27/968857827.db2.gz KUTMMAZMRPPNJE-JTQLQIEISA-N 0 3 223.272 1.279 20 10 BDCDHN CNc1ccccc1NCC1CN(C)C1 ZINC001170259687 970645353 /nfs/dbraw/zinc/64/53/53/970645353.db2.gz ZIGHISLJYKKBTN-UHFFFAOYSA-N 0 3 205.305 1.702 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC001333027931 975373083 /nfs/dbraw/zinc/37/30/83/975373083.db2.gz OPTMLZJYRPROTL-GFCCVEGCSA-N 0 3 237.299 1.239 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@@H]1COCCO1 ZINC001333027931 975373089 /nfs/dbraw/zinc/37/30/89/975373089.db2.gz OPTMLZJYRPROTL-GFCCVEGCSA-N 0 3 237.299 1.239 20 10 BDCDHN CN1CCC=C(Nc2ccc(N)cc2)C1 ZINC001175580728 977603836 /nfs/dbraw/zinc/60/38/36/977603836.db2.gz RCPAONSIEYGAPL-UHFFFAOYSA-N 0 3 203.289 1.900 20 10 BDCDHN COc1cc(CN2CC(C)C2)c(O)cc1O ZINC001231634037 977651319 /nfs/dbraw/zinc/65/13/19/977651319.db2.gz GPCDCBDVABEVBE-UHFFFAOYSA-N 0 3 223.272 1.558 20 10 BDCDHN COc1cc(CN2CC[C@H]2C)c(O)cc1O ZINC001231635094 977656453 /nfs/dbraw/zinc/65/64/53/977656453.db2.gz VSZJWSGCCTZXSY-MRVPVSSYSA-N 0 3 223.272 1.701 20 10 BDCDHN CC1(C)[C@@H]2CN(Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233016524 978412490 /nfs/dbraw/zinc/41/24/90/978412490.db2.gz GSJJTZGGYNEENT-AOOOYVTPSA-N 0 3 249.310 1.891 20 10 BDCDHN CO[C@@H]1CCN(Cc2cc(O)c(O)cc2O)C1 ZINC001233482972 978612584 /nfs/dbraw/zinc/61/25/84/978612584.db2.gz JIMNSNAPPFBOGG-SECBINFHSA-N 0 3 239.271 1.024 20 10 BDCDHN CC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277401 978930925 /nfs/dbraw/zinc/93/09/25/978930925.db2.gz CTUOXWVCLHSXTP-JTQLQIEISA-N 0 3 235.283 1.509 20 10 BDCDHN CC(=O)[C@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277401 978930930 /nfs/dbraw/zinc/93/09/30/978930930.db2.gz CTUOXWVCLHSXTP-JTQLQIEISA-N 0 3 235.283 1.509 20 10 BDCDHN Oc1ccc(CN2CC[C@]23CCOC3)c(O)c1 ZINC001204278202 978931113 /nfs/dbraw/zinc/93/11/13/978931113.db2.gz XXYRMLXYPRDKPX-CYBMUJFWSA-N 0 3 235.283 1.463 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](O)C(C)(C)O)c1ccccc1[O-] ZINC001460635124 985869225 /nfs/dbraw/zinc/86/92/25/985869225.db2.gz BKCZUCCJJUHGBR-SKDRFNHKSA-N 0 3 239.315 1.175 20 10 BDCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])C(=O)NC ZINC000697934833 987369646 /nfs/dbraw/zinc/36/96/46/987369646.db2.gz GDQWIRRTSBZAJC-JTQLQIEISA-N 0 3 240.278 1.146 20 10 BDCDHN COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC001116771990 987703082 /nfs/dbraw/zinc/70/30/82/987703082.db2.gz XUMFJJQFVQDQKZ-NWDGAFQWSA-N 0 3 249.310 1.824 20 10 BDCDHN CC[C@H]([NH2+]Cc1c([O-])cccc1OC)[C@H](C)O ZINC001325133332 989100528 /nfs/dbraw/zinc/10/05/28/989100528.db2.gz PIVRNMDTXAPWHX-ONGXEEELSA-N 0 3 239.315 1.650 20 10 BDCDHN CC[C@@H](C)C[C@@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC001122172278 990276806 /nfs/dbraw/zinc/27/68/06/990276806.db2.gz BLIHYHPTGDYKMA-ZWNOBZJWSA-N 0 3 249.358 1.995 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001308989292 991256506 /nfs/dbraw/zinc/25/65/06/991256506.db2.gz ZNCOWWBTNQLBHB-DMDPSCGWSA-N 0 3 237.274 1.941 20 10 BDCDHN CCN(Cc1cc(F)ccc1O)C1CN(C)C1 ZINC001140060084 991507796 /nfs/dbraw/zinc/50/77/96/991507796.db2.gz KDQOBKYMSWBXJL-UHFFFAOYSA-N 0 3 238.306 1.667 20 10 BDCDHN C[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1[O-] ZINC000071333131 398147052 /nfs/dbraw/zinc/14/70/52/398147052.db2.gz CFYNLBOCSUFDAV-SNVBAGLBSA-N 0 3 231.299 1.977 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)CCO)cc1C ZINC000127914702 178195973 /nfs/dbraw/zinc/19/59/73/178195973.db2.gz SNLZKXFHVLLEAR-UHFFFAOYSA-N 0 3 209.289 1.433 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)CCO)cc1C ZINC000127914702 178195977 /nfs/dbraw/zinc/19/59/77/178195977.db2.gz SNLZKXFHVLLEAR-UHFFFAOYSA-N 0 3 209.289 1.433 20 10 BDCDHN CC[C@@H](O)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000127403823 345179313 /nfs/dbraw/zinc/17/93/13/345179313.db2.gz HLNNAVCGFGNSNB-LLVKDONJSA-N 0 3 239.315 1.651 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CCC[C@H]2CO)cc1C ZINC000092455743 345621093 /nfs/dbraw/zinc/62/10/93/345621093.db2.gz FXJMCFLFQDTULY-ZDUSSCGKSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CCC[C@H]2CO)cc1C ZINC000092455743 345621096 /nfs/dbraw/zinc/62/10/96/345621096.db2.gz FXJMCFLFQDTULY-ZDUSSCGKSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cccc(C[N@H+](C)CCCO)c1[O-] ZINC000281722875 179067938 /nfs/dbraw/zinc/06/79/38/179067938.db2.gz IQFMMRSCDOXZGX-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN Cc1cccc(C[N@@H+](C)CCCO)c1[O-] ZINC000281722875 179067941 /nfs/dbraw/zinc/06/79/41/179067941.db2.gz IQFMMRSCDOXZGX-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000132486436 179077829 /nfs/dbraw/zinc/07/78/29/179077829.db2.gz COAOLCAPPABMIQ-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000132486436 179077831 /nfs/dbraw/zinc/07/78/31/179077831.db2.gz COAOLCAPPABMIQ-GFCCVEGCSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000132498774 179079391 /nfs/dbraw/zinc/07/93/91/179079391.db2.gz IHBUAVIEQVTPEP-LLVKDONJSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H](CO)C2)c1[O-] ZINC000132498774 179079394 /nfs/dbraw/zinc/07/93/94/179079394.db2.gz IHBUAVIEQVTPEP-LLVKDONJSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000367777115 179083966 /nfs/dbraw/zinc/08/39/66/179083966.db2.gz IANJXJBWEYKJEB-ITGUQSILSA-N 0 3 233.311 1.371 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000367777115 179083967 /nfs/dbraw/zinc/08/39/67/179083967.db2.gz IANJXJBWEYKJEB-ITGUQSILSA-N 0 3 233.311 1.371 20 10 BDCDHN Cc1cccc(CNCC(=O)NC(C)C)c1O ZINC000124640742 179089909 /nfs/dbraw/zinc/08/99/09/179089909.db2.gz POGSTTCJZHWMEO-UHFFFAOYSA-N 0 3 236.315 1.315 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@@H](C)CCO)c1 ZINC000085126297 191008620 /nfs/dbraw/zinc/00/86/20/191008620.db2.gz CSWJMSMLCLLTOX-NSHDSACASA-N 0 3 223.316 1.809 20 10 BDCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(F)F ZINC000295127615 353802786 /nfs/dbraw/zinc/80/27/86/353802786.db2.gz XOJSIWYRSIWTRQ-KOLCDFICSA-N 0 3 245.269 1.886 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCn1ccnc1 ZINC000226582680 183274725 /nfs/dbraw/zinc/27/47/25/183274725.db2.gz CUHPVAJYWUBTIC-UHFFFAOYSA-N 0 3 235.262 1.518 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCN(C2CC2)C1 ZINC000037649358 183303209 /nfs/dbraw/zinc/30/32/09/183303209.db2.gz CCJQMMIYKDCWTQ-LBPRGKRZSA-N 0 3 246.354 1.966 20 10 BDCDHN c1cc(CNC[C@@H]2COCCO2)cc2c1OCC2 ZINC000038052587 183368166 /nfs/dbraw/zinc/36/81/66/183368166.db2.gz NSGCCTCJKARSJY-CYBMUJFWSA-N 0 3 249.310 1.127 20 10 BDCDHN COC[C@H](C)[N@H+](C)Cc1ccccc1[O-] ZINC000072629625 384013856 /nfs/dbraw/zinc/01/38/56/384013856.db2.gz IBVFMJLFYQFRMG-JTQLQIEISA-N 0 3 209.289 1.859 20 10 BDCDHN COC[C@H](C)[N@@H+](C)Cc1ccccc1[O-] ZINC000072629625 384013866 /nfs/dbraw/zinc/01/38/66/384013866.db2.gz IBVFMJLFYQFRMG-JTQLQIEISA-N 0 3 209.289 1.859 20 10 BDCDHN C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000077421952 384067696 /nfs/dbraw/zinc/06/76/96/384067696.db2.gz JEZVMNNYFZAZIL-VHSXEESVSA-N 0 3 209.289 1.499 20 10 BDCDHN C[C@H](NC1CC1)C(=O)N(C)Cc1ccccc1O ZINC000296454123 384141483 /nfs/dbraw/zinc/14/14/83/384141483.db2.gz OJCGOTAPTJKRMY-JTQLQIEISA-N 0 3 248.326 1.491 20 10 BDCDHN C[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000132546772 384235803 /nfs/dbraw/zinc/23/58/03/384235803.db2.gz AKKOQATZGVEWMQ-BDAKNGLRSA-N 0 3 227.279 1.953 20 10 BDCDHN C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000134735137 384383354 /nfs/dbraw/zinc/38/33/54/384383354.db2.gz AKKCRFDCTQIEJJ-GHMZBOCLSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000134735137 384383358 /nfs/dbraw/zinc/38/33/58/384383358.db2.gz AKKCRFDCTQIEJJ-GHMZBOCLSA-N 0 3 221.300 1.595 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2CCCNC2=O)c1 ZINC000050394925 384622884 /nfs/dbraw/zinc/62/28/84/384622884.db2.gz SMJBGLWKCLSXRA-JQWIXIFHSA-N 0 3 248.326 1.630 20 10 BDCDHN Cc1ccc(O)c([C@H](C)N[C@H]2CCCNC2=O)c1 ZINC000050394925 384622894 /nfs/dbraw/zinc/62/28/94/384622894.db2.gz SMJBGLWKCLSXRA-JQWIXIFHSA-N 0 3 248.326 1.630 20 10 BDCDHN C[C@@H]([NH2+]CCO)c1cc2c(cc1[O-])CCCC2 ZINC000184890326 384660315 /nfs/dbraw/zinc/66/03/15/384660315.db2.gz QGPDCQOMGHNUME-SNVBAGLBSA-N 0 3 235.327 1.914 20 10 BDCDHN C[C@H]([NH2+]CCO)c1cc2c(cc1[O-])CCCC2 ZINC000184890308 384660595 /nfs/dbraw/zinc/66/05/95/384660595.db2.gz QGPDCQOMGHNUME-JTQLQIEISA-N 0 3 235.327 1.914 20 10 BDCDHN C[C@H](N)C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000083884420 384808036 /nfs/dbraw/zinc/80/80/36/384808036.db2.gz UHRBBODRIIHMSS-NSHDSACASA-N 0 3 247.342 1.250 20 10 BDCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])N(C)C1CC1 ZINC000105488257 384870168 /nfs/dbraw/zinc/87/01/68/384870168.db2.gz VBNXYEUSZNCLRU-LLVKDONJSA-N 0 3 234.343 1.965 20 10 BDCDHN C[C@@H](O)CC[N@H+](C)Cc1ccccc1[O-] ZINC000128553439 384952961 /nfs/dbraw/zinc/95/29/61/384952961.db2.gz LSZUNGOHHAEWRB-SNVBAGLBSA-N 0 3 209.289 1.595 20 10 BDCDHN C[C@@H](O)CC[N@@H+](C)Cc1ccccc1[O-] ZINC000128553439 384952963 /nfs/dbraw/zinc/95/29/63/384952963.db2.gz LSZUNGOHHAEWRB-SNVBAGLBSA-N 0 3 209.289 1.595 20 10 BDCDHN CS[C@@H](CO)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000164279133 384956148 /nfs/dbraw/zinc/95/61/48/384956148.db2.gz NPWYYJMMHGATNN-CABZTGNLSA-N 0 3 241.356 1.594 20 10 BDCDHN C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000164490325 384998121 /nfs/dbraw/zinc/99/81/21/384998121.db2.gz LAYSUMWEBRFCOO-KCWFYHRYSA-N 0 3 241.356 1.810 20 10 BDCDHN CN(C)c1ccc(CN(C)CCO)cc1F ZINC000127913992 384962927 /nfs/dbraw/zinc/96/29/27/384962927.db2.gz GXEZCQVFRQLEHD-UHFFFAOYSA-N 0 3 226.295 1.316 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1 ZINC000193692235 385409054 /nfs/dbraw/zinc/40/90/54/385409054.db2.gz UIIMQPUZGSFFKD-ZWNOBZJWSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1ccc(O)c(CN[C@H]2C(=O)NCC[C@H]2C)c1 ZINC000193692235 385409059 /nfs/dbraw/zinc/40/90/59/385409059.db2.gz UIIMQPUZGSFFKD-ZWNOBZJWSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]CCCO)c([O-])c1 ZINC000020188563 385423706 /nfs/dbraw/zinc/42/37/06/385423706.db2.gz SLDLGLJMPFMBTC-SNVBAGLBSA-N 0 3 209.289 1.734 20 10 BDCDHN CN(C)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000156069371 385434011 /nfs/dbraw/zinc/43/40/11/385434011.db2.gz KDLUGPITGMXEEF-ZDUSSCGKSA-N 0 3 234.343 1.918 20 10 BDCDHN CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000156069371 385434016 /nfs/dbraw/zinc/43/40/16/385434016.db2.gz KDLUGPITGMXEEF-ZDUSSCGKSA-N 0 3 234.343 1.918 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccc1[O-] ZINC000183573647 385772298 /nfs/dbraw/zinc/77/22/98/385772298.db2.gz SEAVYQWVJGZPRR-GRYCIOLGSA-N 0 3 233.311 1.980 20 10 BDCDHN Cc1ccc([O-])c(C[NH+]2CCC(CO)CC2)c1 ZINC000271029820 385772635 /nfs/dbraw/zinc/77/26/35/385772635.db2.gz GFPLMPIQNAIJOJ-UHFFFAOYSA-N 0 3 235.327 1.905 20 10 BDCDHN C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000183629691 385779431 /nfs/dbraw/zinc/77/94/31/385779431.db2.gz JOQGPRGPCPOCSW-MFKMUULPSA-N 0 3 237.299 1.194 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000272531827 385910465 /nfs/dbraw/zinc/91/04/65/385910465.db2.gz NDLUTXPRJBSOLX-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H]([C@@H](C)O)C2)c1 ZINC000272531827 385910470 /nfs/dbraw/zinc/91/04/70/385910470.db2.gz NDLUTXPRJBSOLX-NEPJUHHUSA-N 0 3 235.327 1.903 20 10 BDCDHN C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000272864232 385946083 /nfs/dbraw/zinc/94/60/83/385946083.db2.gz NLFPUZFQVHALLO-MNOVXSKESA-N 0 3 246.314 1.723 20 10 BDCDHN CO[C@@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1OC ZINC000234883892 386111969 /nfs/dbraw/zinc/11/19/69/386111969.db2.gz UECJBNHHLOIQLA-BETUJISGSA-N 0 3 237.299 1.238 20 10 BDCDHN CO[C@@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1OC ZINC000234883892 386111973 /nfs/dbraw/zinc/11/19/73/386111973.db2.gz UECJBNHHLOIQLA-BETUJISGSA-N 0 3 237.299 1.238 20 10 BDCDHN CO[C@@H](C)C[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000289195652 386273139 /nfs/dbraw/zinc/27/31/39/386273139.db2.gz BBNARZKMJSASDL-VIFPVBQESA-N 0 3 227.279 1.998 20 10 BDCDHN CO[C@@H](C)C[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000289195652 386273143 /nfs/dbraw/zinc/27/31/43/386273143.db2.gz BBNARZKMJSASDL-VIFPVBQESA-N 0 3 227.279 1.998 20 10 BDCDHN C[N@H+](CCCCO)Cc1cc(F)ccc1[O-] ZINC000276613428 386353867 /nfs/dbraw/zinc/35/38/67/386353867.db2.gz GYBSRNDJCXGLPJ-UHFFFAOYSA-N 0 3 227.279 1.736 20 10 BDCDHN C[N@@H+](CCCCO)Cc1cc(F)ccc1[O-] ZINC000276613428 386353871 /nfs/dbraw/zinc/35/38/71/386353871.db2.gz GYBSRNDJCXGLPJ-UHFFFAOYSA-N 0 3 227.279 1.736 20 10 BDCDHN CC[N@H+](CCOC)Cc1cc(F)ccc1[O-] ZINC000226562191 386333945 /nfs/dbraw/zinc/33/39/45/386333945.db2.gz VHWIFYBREUBDMY-UHFFFAOYSA-N 0 3 227.279 2.000 20 10 BDCDHN CC[N@@H+](CCOC)Cc1cc(F)ccc1[O-] ZINC000226562191 386333948 /nfs/dbraw/zinc/33/39/48/386333948.db2.gz VHWIFYBREUBDMY-UHFFFAOYSA-N 0 3 227.279 2.000 20 10 BDCDHN CCN(CC)CC(=O)NCc1ccccc1O ZINC000299585290 386469349 /nfs/dbraw/zinc/46/93/49/386469349.db2.gz RZGVWZOCCLODCL-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN COC[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000228793911 386618479 /nfs/dbraw/zinc/61/84/79/386618479.db2.gz SPWVTWJNSOXVAH-WDEREUQCSA-N 0 3 239.315 1.440 20 10 BDCDHN CO[C@H](C)C[NH2+]Cc1cccc(C)c1[O-] ZINC000191203638 386774184 /nfs/dbraw/zinc/77/41/84/386774184.db2.gz KNUMPAKDOWJTCS-SNVBAGLBSA-N 0 3 209.289 1.825 20 10 BDCDHN Cc1ccc(O)c(CNC[C@H](O)C(F)(F)F)c1 ZINC000226646642 387950546 /nfs/dbraw/zinc/95/05/46/387950546.db2.gz OTOAGTMUTJZYCL-JTQLQIEISA-N 0 3 249.232 1.713 20 10 BDCDHN C[C@H](CO)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226586252 388724547 /nfs/dbraw/zinc/72/45/47/388724547.db2.gz YZJFCRSJFNISOD-QMMMGPOBSA-N 0 3 213.252 1.249 20 10 BDCDHN CC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1[O-] ZINC000164406880 135243219 /nfs/dbraw/zinc/24/32/19/135243219.db2.gz DHRCJTLIAHHZED-LBPRGKRZSA-N 0 3 223.316 1.870 20 10 BDCDHN CN1CC[C@@H]2CC[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000378499298 173133054 /nfs/dbraw/zinc/13/30/54/173133054.db2.gz PPJOURGSIRUZTE-TZMCWYRMSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000378499298 173133055 /nfs/dbraw/zinc/13/30/55/173133055.db2.gz PPJOURGSIRUZTE-TZMCWYRMSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@H]2CC[N@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC000272698312 173159513 /nfs/dbraw/zinc/15/95/13/173159513.db2.gz YGCJJBYKJFOWPC-JSGCOSHPSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@H]2CC[N@@H+](Cc3ccccc3[O-])[C@H]2C1 ZINC000272698312 173159515 /nfs/dbraw/zinc/15/95/15/173159515.db2.gz YGCJJBYKJFOWPC-JSGCOSHPSA-N 0 3 246.354 1.918 20 10 BDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000290214427 174901243 /nfs/dbraw/zinc/90/12/43/174901243.db2.gz QFSQDXWWDBEWHG-GAFUQQFSSA-N 0 3 237.299 1.457 20 10 BDCDHN COc1ccc(C[NH2+][C@@H]2CCCOC2)c([O-])c1 ZINC000103964512 175110354 /nfs/dbraw/zinc/11/03/54/175110354.db2.gz MFCOUBNVBWPNBV-LLVKDONJSA-N 0 3 237.299 1.669 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000071300243 175159468 /nfs/dbraw/zinc/15/94/68/175159468.db2.gz JJYLVQHACNFNEI-ZDUSSCGKSA-N 0 3 237.299 1.261 20 10 BDCDHN COc1cccc(C[N@H+](C)CCCCO)c1[O-] ZINC000276617971 175254771 /nfs/dbraw/zinc/25/47/71/175254771.db2.gz HPJBIEFQUONOFI-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN COc1cccc(C[N@@H+](C)CCCCO)c1[O-] ZINC000276617971 175254774 /nfs/dbraw/zinc/25/47/74/175254774.db2.gz HPJBIEFQUONOFI-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN COc1cccc(C[NH2+][C@@H](C)CCCO)c1[O-] ZINC000094942276 175265592 /nfs/dbraw/zinc/26/55/92/175265592.db2.gz FYYHIWWCFFITPV-JTQLQIEISA-N 0 3 239.315 1.651 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)c1[O-] ZINC000134247271 175267510 /nfs/dbraw/zinc/26/75/10/175267510.db2.gz AAENLCDLRXBGHD-KOLCDFICSA-N 0 3 237.299 1.668 20 10 BDCDHN Cc1cccc(C[NH2+]CC2COC2)c1[O-] ZINC000529673271 324376095 /nfs/dbraw/zinc/37/60/95/324376095.db2.gz IVCCSYFGBDDSBO-UHFFFAOYSA-N 0 3 207.273 1.437 20 10 BDCDHN C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000840979161 583214891 /nfs/dbraw/zinc/21/48/91/583214891.db2.gz RXQNGRDCNFIACW-DGCLKSJQSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1[C@@H](CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000840979161 583214892 /nfs/dbraw/zinc/21/48/92/583214892.db2.gz RXQNGRDCNFIACW-DGCLKSJQSA-N 0 3 235.327 1.985 20 10 BDCDHN COc1ccc(CN2CC(C)C2)c(O)c1OC ZINC000894157326 583320870 /nfs/dbraw/zinc/32/08/70/583320870.db2.gz BUOZXRUFKXNXAW-UHFFFAOYSA-N 0 3 237.299 1.861 20 10 BDCDHN COC(=O)C1CC([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000877721266 583345051 /nfs/dbraw/zinc/34/50/51/583345051.db2.gz LKGXNIVJHNYBAR-UHFFFAOYSA-N 0 3 249.310 1.742 20 10 BDCDHN COc1cc(C)cc(CNCc2c[nH]nn2)c1O ZINC000895381061 583662342 /nfs/dbraw/zinc/66/23/42/583662342.db2.gz XJTFFSJFSBVADU-UHFFFAOYSA-N 0 3 248.286 1.117 20 10 BDCDHN COC(OC)[C@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000895791135 583728442 /nfs/dbraw/zinc/72/84/42/583728442.db2.gz ZPXCEZVEDWGFFC-JTQLQIEISA-N 0 3 239.315 1.798 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2C[C@H](CO)C2)c1[O-] ZINC000897357642 583936888 /nfs/dbraw/zinc/93/68/88/583936888.db2.gz MVLNDKLCDFILMR-UMSPYCQHSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897678368 584036178 /nfs/dbraw/zinc/03/61/78/584036178.db2.gz ASNUPLVHCVFXPY-GWCFXTLKSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897678368 584036179 /nfs/dbraw/zinc/03/61/79/584036179.db2.gz ASNUPLVHCVFXPY-GWCFXTLKSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897681624 584039183 /nfs/dbraw/zinc/03/91/83/584039183.db2.gz XSTYFWGMVUACMM-JQWIXIFHSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1[O-] ZINC000897681624 584039184 /nfs/dbraw/zinc/03/91/84/584039184.db2.gz XSTYFWGMVUACMM-JQWIXIFHSA-N 0 3 221.300 1.513 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897684682 584040577 /nfs/dbraw/zinc/04/05/77/584040577.db2.gz VDMZRTZDZTXBSP-BXKDBHETSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897684682 584040578 /nfs/dbraw/zinc/04/05/78/584040578.db2.gz VDMZRTZDZTXBSP-BXKDBHETSA-N 0 3 237.299 1.213 20 10 BDCDHN [O-]c1cccc2c1[C@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902464258 584613345 /nfs/dbraw/zinc/61/33/45/584613345.db2.gz BDSZAGCCZUPYDC-YVECIDJPSA-N 0 3 244.338 1.862 20 10 BDCDHN OC[C@@H]1CCN1Cc1cc2c(cc1O)CCCC2 ZINC000902630399 584647156 /nfs/dbraw/zinc/64/71/56/584647156.db2.gz AUARUIYIWYVZFK-AWEZNQCLSA-N 0 3 247.338 1.838 20 10 BDCDHN C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@H](C)N ZINC000841076130 584742425 /nfs/dbraw/zinc/74/24/25/584742425.db2.gz ASDWYSWNJYHMOZ-JGVFFNPUSA-N 0 3 212.268 1.357 20 10 BDCDHN C[C@@H](NCc1cccc(F)c1[O-])[C@H](C)[NH3+] ZINC000841076130 584742426 /nfs/dbraw/zinc/74/24/26/584742426.db2.gz ASDWYSWNJYHMOZ-JGVFFNPUSA-N 0 3 212.268 1.357 20 10 BDCDHN Cc1cc(O)c(CN[C@H]2CNOC2)cc1C ZINC000904426760 584881444 /nfs/dbraw/zinc/88/14/44/584881444.db2.gz HQUCCIZCJWSDNU-NSHDSACASA-N 0 3 222.288 1.002 20 10 BDCDHN C[C@H]([NH2+][C@H](CN)C1CC1)c1cc(F)ccc1[O-] ZINC000817959296 584992376 /nfs/dbraw/zinc/99/23/76/584992376.db2.gz FJIHXJJFTGQVFB-QPUJVOFHSA-N 0 3 238.306 1.919 20 10 BDCDHN CCNC(=O)C1CN(Cc2cc(C)ccc2O)C1 ZINC000839137571 585094385 /nfs/dbraw/zinc/09/43/85/585094385.db2.gz CIHJOQPRGRVSJI-UHFFFAOYSA-N 0 3 248.326 1.269 20 10 BDCDHN CC(=O)NCCN(C)Cc1ccc(N(C)C)cc1 ZINC000741447870 585114137 /nfs/dbraw/zinc/11/41/37/585114137.db2.gz QXQFWYQBIRUOKC-UHFFFAOYSA-N 0 3 249.358 1.321 20 10 BDCDHN CN(C)c1ccc(CN(C)C2CC(O)C2)cc1 ZINC000761223406 585412425 /nfs/dbraw/zinc/41/24/25/585412425.db2.gz QMDXPUDAYCWDDV-UHFFFAOYSA-N 0 3 234.343 1.708 20 10 BDCDHN COc1cccc(O)c1CN(CCO)C1CC1 ZINC000768330170 585535869 /nfs/dbraw/zinc/53/58/69/585535869.db2.gz OHRLWNBOVDQZSU-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1cccc([O-])c1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000770396046 585573750 /nfs/dbraw/zinc/57/37/50/585573750.db2.gz YEDGDTPMKQPWST-QWRGUYRKSA-N 0 3 248.326 1.052 20 10 BDCDHN O=CN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000774162597 585652475 /nfs/dbraw/zinc/65/24/75/585652475.db2.gz QEZUKANTYLTNTB-UHFFFAOYSA-N 0 3 234.299 1.103 20 10 BDCDHN Cc1cc([O-])c(C[NH2+][C@@H]2CCN(C)C2)cc1C ZINC000776175029 585691584 /nfs/dbraw/zinc/69/15/84/585691584.db2.gz VWYWJPRRHCUJIA-CYBMUJFWSA-N 0 3 234.343 1.803 20 10 BDCDHN C[C@@H](O)CCC[N@H+](C)Cc1ccccc1[O-] ZINC000789347171 585940870 /nfs/dbraw/zinc/94/08/70/585940870.db2.gz DYFFXEKKYGJEKV-LLVKDONJSA-N 0 3 223.316 1.985 20 10 BDCDHN C[C@@H](O)CCC[N@@H+](C)Cc1ccccc1[O-] ZINC000789347171 585940871 /nfs/dbraw/zinc/94/08/71/585940871.db2.gz DYFFXEKKYGJEKV-LLVKDONJSA-N 0 3 223.316 1.985 20 10 BDCDHN Cc1cccc(C[NH2+]C2(CC(N)=O)CCC2)c1[O-] ZINC000789554480 585943999 /nfs/dbraw/zinc/94/39/99/585943999.db2.gz QXQCAXWYBPIUJI-UHFFFAOYSA-N 0 3 248.326 1.588 20 10 BDCDHN CC1CN(Cc2cc3c(cc2O)OCO3)C1 ZINC000802651651 586307911 /nfs/dbraw/zinc/30/79/11/586307911.db2.gz VHMGHEKXUBUPJS-UHFFFAOYSA-N 0 3 221.256 1.573 20 10 BDCDHN Cc1cccc(CN2CC[C@@](F)(CO)C2)c1O ZINC000802661478 586308495 /nfs/dbraw/zinc/30/84/95/586308495.db2.gz QMOUUZNNMQBOKO-ZDUSSCGKSA-N 0 3 239.290 1.607 20 10 BDCDHN C[C@H]([NH2+]CCN1CCNC1=O)c1ccccc1[O-] ZINC000808744283 586486734 /nfs/dbraw/zinc/48/67/34/586486734.db2.gz XTFNMHOKNMPYDE-JTQLQIEISA-N 0 3 249.314 1.068 20 10 BDCDHN Cc1ccc([C@@H](C)N[C@H]2CC[NH2+]C2)c([O-])c1 ZINC000817944585 586846329 /nfs/dbraw/zinc/84/63/29/586846329.db2.gz HGRSXBNSDIXAFX-MNOVXSKESA-N 0 3 220.316 1.713 20 10 BDCDHN C[C@H]1C[C@@H](NC2C[NH2+]C2)c2c1c(F)ccc2[O-] ZINC000817955441 586850169 /nfs/dbraw/zinc/85/01/69/586850169.db2.gz AVZBVQWXOLELBU-OIBJUYFYSA-N 0 3 236.290 1.641 20 10 BDCDHN C[C@H]([NH2+][C@@H](CN)C1CC1)c1ccc(F)cc1[O-] ZINC000817961267 586852653 /nfs/dbraw/zinc/85/26/53/586852653.db2.gz VZZJHPDNXHVHIR-UFBFGSQYSA-N 0 3 238.306 1.919 20 10 BDCDHN C[C@H](N)[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817977116 586860211 /nfs/dbraw/zinc/86/02/11/586860211.db2.gz BQNXHWPDZLZDLP-CIUDSAMLSA-N 0 3 226.295 1.918 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827293012 587375878 /nfs/dbraw/zinc/37/58/78/587375878.db2.gz VQNHXTJDPAOTHI-WCQYABFASA-N 0 3 219.284 1.349 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827293012 587375879 /nfs/dbraw/zinc/37/58/79/587375879.db2.gz VQNHXTJDPAOTHI-WCQYABFASA-N 0 3 219.284 1.349 20 10 BDCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2[O-])C1 ZINC000827500834 587384375 /nfs/dbraw/zinc/38/43/75/587384375.db2.gz LKGXNIVJHNYBAR-KLPPZKSPSA-N 0 3 249.310 1.742 20 10 BDCDHN CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000840826806 587923790 /nfs/dbraw/zinc/92/37/90/587923790.db2.gz WEQDVSWZTPHSTD-GMXVVIOVSA-N 0 3 249.310 1.383 20 10 BDCDHN Cc1cccc(CNC2(C(=O)N(C)C)CC2)c1O ZINC000840957683 587931901 /nfs/dbraw/zinc/93/19/01/587931901.db2.gz MCCBAFMNLCVFQC-UHFFFAOYSA-N 0 3 248.326 1.411 20 10 BDCDHN CCn1ccnc1CNCCc1ccc(N)cc1 ZINC000841033964 587937184 /nfs/dbraw/zinc/93/71/84/587937184.db2.gz DDMSMYPQBXUSPN-UHFFFAOYSA-N 0 3 244.342 1.818 20 10 BDCDHN CC(C)C[C@@H](CN)[NH2+]Cc1ccccc1[O-] ZINC000841037603 587937582 /nfs/dbraw/zinc/93/75/82/587937582.db2.gz BBKKJXNLUBQRAL-LBPRGKRZSA-N 0 3 222.332 1.855 20 10 BDCDHN C[C@H](CCN)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841052048 587939744 /nfs/dbraw/zinc/93/97/44/587939744.db2.gz UFVLYIXZSNREDL-MRVPVSSYSA-N 0 3 228.723 1.873 20 10 BDCDHN C[C@H](C[NH3+])NCc1cc(Cl)cc(F)c1[O-] ZINC000841059613 587940402 /nfs/dbraw/zinc/94/04/02/587940402.db2.gz IGXYQTMGCDUSSK-ZCFIWIBFSA-N 0 3 232.686 1.622 20 10 BDCDHN C[C@H](CN)[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841060357 587941824 /nfs/dbraw/zinc/94/18/24/587941824.db2.gz WTJNFGVKZUVOLQ-SSDOTTSWSA-N 0 3 214.696 1.482 20 10 BDCDHN C[C@H](C[NH3+])NCc1cc(Cl)ccc1[O-] ZINC000841060357 587941825 /nfs/dbraw/zinc/94/18/25/587941825.db2.gz WTJNFGVKZUVOLQ-SSDOTTSWSA-N 0 3 214.696 1.482 20 10 BDCDHN Oc1ccccc1CN[C@H]1CNCCC1(F)F ZINC000841075764 587944025 /nfs/dbraw/zinc/94/40/25/587944025.db2.gz WDHLGJQTRYSDGP-NSHDSACASA-N 0 3 242.269 1.479 20 10 BDCDHN C[C@H]1CCN[C@@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000841846483 587977137 /nfs/dbraw/zinc/97/71/37/587977137.db2.gz OYXOIHZAAPBHGV-JOYOIKCWSA-N 0 3 233.315 1.595 20 10 BDCDHN CO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccccc1[O-] ZINC000842912091 588071641 /nfs/dbraw/zinc/07/16/41/588071641.db2.gz QFSQDXWWDBEWHG-UFGOTCBOSA-N 0 3 237.299 1.457 20 10 BDCDHN COc1cccc([O-])c1CN(C)[C@H](C)C[NH3+] ZINC000843052292 588077129 /nfs/dbraw/zinc/07/71/29/588077129.db2.gz SHOOHMOFDFWMAL-SECBINFHSA-N 0 3 224.304 1.180 20 10 BDCDHN CCOc1ccc(CN(C)[C@@H](C)C[NH3+])c([O-])c1 ZINC000843051473 588077160 /nfs/dbraw/zinc/07/71/60/588077160.db2.gz JCJWSNPWPBXJRQ-JTQLQIEISA-N 0 3 238.331 1.570 20 10 BDCDHN C[C@@H]1C[C@H](CN)C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843058045 588077638 /nfs/dbraw/zinc/07/76/38/588077638.db2.gz NZRRFYRTVYDVOW-NXEZZACHSA-N 0 3 238.306 1.700 20 10 BDCDHN C[C@@H]1C[C@H](CN)C[N@H+]1Cc1cccc(F)c1[O-] ZINC000843058045 588077640 /nfs/dbraw/zinc/07/76/40/588077640.db2.gz NZRRFYRTVYDVOW-NXEZZACHSA-N 0 3 238.306 1.700 20 10 BDCDHN C[N@H+](Cc1cccc(F)c1[O-])CC(C)(C)CN ZINC000843056441 588077753 /nfs/dbraw/zinc/07/77/53/588077753.db2.gz KAUDENMQMOCDFL-UHFFFAOYSA-N 0 3 240.322 1.948 20 10 BDCDHN C[N@@H+](Cc1cccc(F)c1[O-])CC(C)(C)CN ZINC000843056441 588077755 /nfs/dbraw/zinc/07/77/55/588077755.db2.gz KAUDENMQMOCDFL-UHFFFAOYSA-N 0 3 240.322 1.948 20 10 BDCDHN CN(Cc1cccc(Cl)c1[O-])C1CC([NH3+])C1 ZINC000843125041 588083474 /nfs/dbraw/zinc/08/34/74/588083474.db2.gz LZTUAFLRJYTBKH-UHFFFAOYSA-N 0 3 240.734 1.967 20 10 BDCDHN C[N@H+](Cc1cccc(Cl)c1[O-])C1CC(N)C1 ZINC000843125041 588083475 /nfs/dbraw/zinc/08/34/75/588083475.db2.gz LZTUAFLRJYTBKH-UHFFFAOYSA-N 0 3 240.734 1.967 20 10 BDCDHN C[N@@H+](Cc1cccc(Cl)c1[O-])C1CC(N)C1 ZINC000843125041 588083477 /nfs/dbraw/zinc/08/34/77/588083477.db2.gz LZTUAFLRJYTBKH-UHFFFAOYSA-N 0 3 240.734 1.967 20 10 BDCDHN Cc1cc(O)c(CN2CC(C)(C(N)=O)C2)cc1C ZINC000843415097 588106971 /nfs/dbraw/zinc/10/69/71/588106971.db2.gz CGELFQVWTKGVKL-UHFFFAOYSA-N 0 3 248.326 1.316 20 10 BDCDHN CCN(CC)c1ccc(CN(C)C(=O)CN)cc1 ZINC000844167191 588171460 /nfs/dbraw/zinc/17/14/60/588171460.db2.gz UXBISSJPEALFGS-UHFFFAOYSA-N 0 3 249.358 1.450 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](CO)CCF)c1 ZINC000846101190 588256519 /nfs/dbraw/zinc/25/65/19/588256519.db2.gz RAJOMMPDFMHSCT-JTQLQIEISA-N 0 3 243.278 1.211 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1[O-] ZINC000846135204 588258507 /nfs/dbraw/zinc/25/85/07/588258507.db2.gz CBSCDJISGIIBOI-UWVGGRQHSA-N 0 3 239.315 1.822 20 10 BDCDHN C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(F)ccc1[O-] ZINC000846208309 588260067 /nfs/dbraw/zinc/26/00/67/588260067.db2.gz IGFCZLBSEFVSLV-PSASIEDQSA-N 0 3 245.269 1.902 20 10 BDCDHN CCc1cccc(C[NH+]2CCC(O)CC2)c1[O-] ZINC000848879805 588416110 /nfs/dbraw/zinc/41/61/10/588416110.db2.gz CXDRNVJOSUAJFZ-UHFFFAOYSA-N 0 3 235.327 1.911 20 10 BDCDHN COc1ccc(CNC(=[NH2+])NC(C)C)c([O-])c1 ZINC000849024821 588439899 /nfs/dbraw/zinc/43/98/99/588439899.db2.gz BFIOYJVDHPDODV-UHFFFAOYSA-N 0 3 237.303 1.423 20 10 BDCDHN Cc1ccc([C@H](C)N[C@H]2CCNC2=O)c(O)c1C ZINC000850481856 588551405 /nfs/dbraw/zinc/55/14/05/588551405.db2.gz NROCVAUNVMGIEM-JQWIXIFHSA-N 0 3 248.326 1.548 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c([O-])c1 ZINC000850577891 588560957 /nfs/dbraw/zinc/56/09/57/588560957.db2.gz DYLBHEQSEROZOG-GMTAPVOTSA-N 0 3 221.300 1.875 20 10 BDCDHN COc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579200 588561780 /nfs/dbraw/zinc/56/17/80/588561780.db2.gz SSBAMZHCRLBOTD-GUBZILKMSA-N 0 3 237.299 1.575 20 10 BDCDHN C[C@@H]1[NH2+]CC[C@H]1NCc1c([O-])cccc1Cl ZINC000863487913 589293846 /nfs/dbraw/zinc/29/38/46/589293846.db2.gz YKGSFRXRVZPIBO-GZMMTYOYSA-N 0 3 240.734 1.886 20 10 BDCDHN C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccccc1[O-] ZINC000864454069 589366067 /nfs/dbraw/zinc/36/60/67/589366067.db2.gz STLFRFMULZNUIT-WCBMZHEXSA-N 0 3 219.288 1.415 20 10 BDCDHN CN(C)c1ccc(CNC2(CO)CC2)cc1 ZINC000120396321 589409530 /nfs/dbraw/zinc/40/95/30/589409530.db2.gz DBJOAKYVAJFZKG-UHFFFAOYSA-N 0 3 220.316 1.367 20 10 BDCDHN CN[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988579 589707318 /nfs/dbraw/zinc/70/73/18/589707318.db2.gz TZVQAIOUADXMDP-IUCAKERBSA-N 0 3 222.288 1.177 20 10 BDCDHN COc1ccc(CNCC[S@@](C)=O)cc1C ZINC000124198624 589959802 /nfs/dbraw/zinc/95/98/02/589959802.db2.gz VYGVACHEHFUIOT-INIZCTEOSA-N 0 3 241.356 1.472 20 10 BDCDHN [O-]c1ccccc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229690 590002368 /nfs/dbraw/zinc/00/23/68/590002368.db2.gz DVJZGEWFALIQDO-KBPBESRZSA-N 0 3 232.327 1.766 20 10 BDCDHN CC[N@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000876527299 590208951 /nfs/dbraw/zinc/20/89/51/590208951.db2.gz YZZHFNNFXMKANG-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN CC[N@@H+](CCO)Cc1ccc(C)cc1[O-] ZINC000876527299 590208952 /nfs/dbraw/zinc/20/89/52/590208952.db2.gz YZZHFNNFXMKANG-UHFFFAOYSA-N 0 3 209.289 1.515 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCN2C)c([O-])c1 ZINC000876985973 590265099 /nfs/dbraw/zinc/26/50/99/590265099.db2.gz YQBWDULKGWELKX-CYBMUJFWSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCN1C ZINC000876985692 590265127 /nfs/dbraw/zinc/26/51/27/590265127.db2.gz MSIRUNSCHBAPHN-GFCCVEGCSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000876994117 590266180 /nfs/dbraw/zinc/26/61/80/590266180.db2.gz DFNVDOWTGBIHBE-NSHDSACASA-N 0 3 234.299 1.021 20 10 BDCDHN CC(C)C[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877078704 590279276 /nfs/dbraw/zinc/27/92/76/590279276.db2.gz ACYQFMHMKFKZNP-LBPRGKRZSA-N 0 3 235.331 1.605 20 10 BDCDHN Cc1ccc(C[NH2+]CC2(C)OCCO2)c([O-])c1 ZINC000877118241 590288529 /nfs/dbraw/zinc/28/85/29/590288529.db2.gz SMJGNQPSAHRIBB-UHFFFAOYSA-N 0 3 237.299 1.553 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C[C@H](C)O ZINC000877195269 590299667 /nfs/dbraw/zinc/29/96/67/590299667.db2.gz FWVZDSPZDRFHBD-MNOVXSKESA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1ccc(C[NH2+]CC2(CO)CCC2)c([O-])c1 ZINC000877315160 590312798 /nfs/dbraw/zinc/31/27/98/590312798.db2.gz AEVZSFWFQXFQAA-UHFFFAOYSA-N 0 3 235.327 1.953 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000877433984 590326842 /nfs/dbraw/zinc/32/68/42/590326842.db2.gz LCLVUBDQFLSKHU-DGCLKSJQSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000877433984 590326845 /nfs/dbraw/zinc/32/68/45/590326845.db2.gz LCLVUBDQFLSKHU-DGCLKSJQSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c([O-])c1 ZINC000877499636 590341234 /nfs/dbraw/zinc/34/12/34/590341234.db2.gz RNAYJPSLONIVJV-MFKMUULPSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1ccc(C[N@@H+](C)[C@@H](C)CO)c([O-])c1 ZINC000877525822 590347562 /nfs/dbraw/zinc/34/75/62/590347562.db2.gz COZVQYJSKMLKPW-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc(C[N@H+](C)[C@@H](C)CO)c([O-])c1 ZINC000877525822 590347564 /nfs/dbraw/zinc/34/75/64/590347564.db2.gz COZVQYJSKMLKPW-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H](O)C2CC2)c([O-])c1 ZINC000877526130 590347957 /nfs/dbraw/zinc/34/79/57/590347957.db2.gz PWPFLBAMHKOIHU-CYBMUJFWSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1ccc(C[NH2+]C2COCCOC2)c([O-])c1 ZINC000877545902 590353528 /nfs/dbraw/zinc/35/35/28/590353528.db2.gz FJHKAEHBTKPWQP-UHFFFAOYSA-N 0 3 237.299 1.206 20 10 BDCDHN CNC(=O)C[C@@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877571824 590362834 /nfs/dbraw/zinc/36/28/34/590362834.db2.gz AHFKZLWNOYWQKK-SNVBAGLBSA-N 0 3 236.315 1.315 20 10 BDCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])C(=O)NC ZINC000877575810 590363839 /nfs/dbraw/zinc/36/38/39/590363839.db2.gz FFHVEPUOXSMVCN-NSHDSACASA-N 0 3 236.315 1.315 20 10 BDCDHN CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C)cc1[O-] ZINC000877586960 590367622 /nfs/dbraw/zinc/36/76/22/590367622.db2.gz ZQTFFZOGPHGKHF-WCQYABFASA-N 0 3 237.299 1.204 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](CO)CCF ZINC000877614628 590373692 /nfs/dbraw/zinc/37/36/92/590373692.db2.gz KCMKEEZAAMXFPB-JTQLQIEISA-N 0 3 227.279 1.511 20 10 BDCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877634756 590379912 /nfs/dbraw/zinc/37/99/12/590379912.db2.gz VPOOJKYHODNENB-PHIMTYICSA-N 0 3 249.310 1.742 20 10 BDCDHN Cc1ccc(C[NH2+]CC[C@H](O)C(F)F)c([O-])c1 ZINC000877676783 590390584 /nfs/dbraw/zinc/39/05/84/590390584.db2.gz GFTLMKVEJASKDW-JTQLQIEISA-N 0 3 245.269 1.806 20 10 BDCDHN COc1ccc(O)c([C@H](C)NCC(C)=O)c1 ZINC000878361030 590554106 /nfs/dbraw/zinc/55/41/06/590554106.db2.gz VULOWFKIWQVAGT-VIFPVBQESA-N 0 3 223.272 1.640 20 10 BDCDHN C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1[O-] ZINC000879651319 590843526 /nfs/dbraw/zinc/84/35/26/590843526.db2.gz RCVVZUFPHCBRKU-WDEREUQCSA-N 0 3 249.310 1.996 20 10 BDCDHN C[C@@H](N)c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270877 591177384 /nfs/dbraw/zinc/17/73/84/591177384.db2.gz CZBMCGCGYSTACA-SNVBAGLBSA-N 0 3 245.330 1.412 20 10 BDCDHN Cc1cc(O)c(CN2CCN(C)CC2)cc1C ZINC000125076860 634460676 /nfs/dbraw/zinc/46/06/76/634460676.db2.gz IEKLEOSKEXLWNI-UHFFFAOYSA-N 0 3 234.343 1.756 20 10 BDCDHN Cc1ccc([C@H](C)N[C@@H]2CNOC2)c(O)c1C ZINC000925861516 635555682 /nfs/dbraw/zinc/55/56/82/635555682.db2.gz DCHJCSIXERGAJR-WDEREUQCSA-N 0 3 236.315 1.563 20 10 BDCDHN C[C@@H](CN(C)C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000235110856 635566530 /nfs/dbraw/zinc/56/65/30/635566530.db2.gz OMRCXKHIBIEEFU-VIFPVBQESA-N 0 3 226.295 1.571 20 10 BDCDHN Cc1cc(C)c([C@@H](C)N[C@H]2CNOC2)c(O)c1 ZINC000925866693 635569757 /nfs/dbraw/zinc/56/97/57/635569757.db2.gz OGYPTPXODZJPMT-MNOVXSKESA-N 0 3 236.315 1.563 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)C1CC1 ZINC000308903672 632119187 /nfs/dbraw/zinc/11/91/87/632119187.db2.gz KMOLYIRVBCRSQN-NSHDSACASA-N 0 3 207.273 1.253 20 10 BDCDHN Oc1ccccc1CN1CCC2(C1)OCCO2 ZINC000179569105 632746526 /nfs/dbraw/zinc/74/65/26/632746526.db2.gz FXLLMKFSAJUXOS-UHFFFAOYSA-N 0 3 235.283 1.341 20 10 BDCDHN CSC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000309911881 633933153 /nfs/dbraw/zinc/93/31/53/633933153.db2.gz NDGZLHOAFJPIJB-UWVGGRQHSA-N 0 3 241.356 1.767 20 10 BDCDHN CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1[O-] ZINC000322758376 636878018 /nfs/dbraw/zinc/87/80/18/636878018.db2.gz FTQANWNWKHFYRF-NXEZZACHSA-N 0 3 236.315 1.567 20 10 BDCDHN CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000322758377 636879180 /nfs/dbraw/zinc/87/91/80/636879180.db2.gz FTQANWNWKHFYRF-UWVGGRQHSA-N 0 3 236.315 1.567 20 10 BDCDHN C[C@H]([NH2+]CCCON)c1cc(F)ccc1[O-] ZINC000902426119 637304562 /nfs/dbraw/zinc/30/45/62/637304562.db2.gz QRGDUQKRLVVONB-QMMMGPOBSA-N 0 3 228.267 1.462 20 10 BDCDHN C[C@@H](O)C[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000164460696 640484741 /nfs/dbraw/zinc/48/47/41/640484741.db2.gz HSAHIEWZJYYFIA-VHSXEESVSA-N 0 3 209.289 1.641 20 10 BDCDHN C[C@@H](CCCO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226616736 640780148 /nfs/dbraw/zinc/78/01/48/640780148.db2.gz VZOKSGXQJOPGNQ-VIFPVBQESA-N 0 3 227.279 1.782 20 10 BDCDHN COC[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000083345898 643435561 /nfs/dbraw/zinc/43/55/61/643435561.db2.gz JFVPBQSRTLPTTJ-JTQLQIEISA-N 0 3 209.289 1.825 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1[O-] ZINC000079952421 644221592 /nfs/dbraw/zinc/22/15/92/644221592.db2.gz GTRHRSYDNRYRLU-ZJUUUORDSA-N 0 3 234.299 1.321 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923006431 644226662 /nfs/dbraw/zinc/22/66/62/644226662.db2.gz CKTCTHUHIJKBLH-MGCOHNPYSA-N 0 3 237.299 1.261 20 10 BDCDHN C[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])[C@H]1CO ZINC000249039819 644709606 /nfs/dbraw/zinc/70/96/06/644709606.db2.gz CYVDFJJFHIDGLN-SKDRFNHKSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])[C@H]1CO ZINC000249039819 644709611 /nfs/dbraw/zinc/70/96/11/644709611.db2.gz CYVDFJJFHIDGLN-SKDRFNHKSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC000249958453 644745963 /nfs/dbraw/zinc/74/59/63/644745963.db2.gz JKRKDOHPOANPPD-CMPLNLGQSA-N 0 3 221.300 1.595 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC000249958453 644745966 /nfs/dbraw/zinc/74/59/66/644745966.db2.gz JKRKDOHPOANPPD-CMPLNLGQSA-N 0 3 221.300 1.595 20 10 BDCDHN COc1ccc(C[NH2+][C@H](C)CCO)c([O-])c1 ZINC000096811509 644840908 /nfs/dbraw/zinc/84/09/08/644840908.db2.gz SIADBJTUWVECCJ-SECBINFHSA-N 0 3 225.288 1.261 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724948575 711633668 /nfs/dbraw/zinc/63/36/68/711633668.db2.gz ZDIJRXXFESMSFQ-YXMLORGKSA-N 0 3 219.284 1.395 20 10 BDCDHN C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1[O-] ZINC000378718531 712357975 /nfs/dbraw/zinc/35/79/75/712357975.db2.gz DKSPLOJTIMDIEM-HLUHBDAQSA-N 0 3 207.273 1.566 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCN1CCC1 ZINC000389982858 711102405 /nfs/dbraw/zinc/10/24/05/711102405.db2.gz KECRFYFHFYUMMQ-UHFFFAOYSA-N 0 3 206.289 1.188 20 10 BDCDHN CCOC[C@H](O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000382449040 711505020 /nfs/dbraw/zinc/50/50/20/711505020.db2.gz HPNOKGNRLCONMW-GHMZBOCLSA-N 0 3 239.315 1.440 20 10 BDCDHN COC[C@H](C[N@H+](C)Cc1ccccc1[O-])OC ZINC000701148631 712017223 /nfs/dbraw/zinc/01/72/23/712017223.db2.gz XMLXBIXZBRNLCS-LBPRGKRZSA-N 0 3 239.315 1.485 20 10 BDCDHN COC[C@H](C[N@@H+](C)Cc1ccccc1[O-])OC ZINC000701148631 712017225 /nfs/dbraw/zinc/01/72/25/712017225.db2.gz XMLXBIXZBRNLCS-LBPRGKRZSA-N 0 3 239.315 1.485 20 10 BDCDHN CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000702513505 712054248 /nfs/dbraw/zinc/05/42/48/712054248.db2.gz HVTGDXRGRZUGOZ-GXFFZTMASA-N 0 3 239.315 1.440 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCOCCF ZINC000702633919 712058145 /nfs/dbraw/zinc/05/81/45/712058145.db2.gz XCYYPPPZJORFTN-UHFFFAOYSA-N 0 3 213.252 1.468 20 10 BDCDHN CN1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000704366827 712105200 /nfs/dbraw/zinc/10/52/00/712105200.db2.gz HWDJWWLDJNEHPS-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@@H]1COCC[C@H]1O)CC2 ZINC000710859855 712259663 /nfs/dbraw/zinc/25/96/63/712259663.db2.gz JFSMXELLICTNTH-IJLUTSLNSA-N 0 3 249.310 1.119 20 10 BDCDHN C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1[O-] ZINC000378718532 712358098 /nfs/dbraw/zinc/35/80/98/712358098.db2.gz DKSPLOJTIMDIEM-MKPLZMMCSA-N 0 3 207.273 1.566 20 10 BDCDHN COc1ccc(CNCc2n[nH]cc2C)c(O)c1 ZINC000716457020 712562602 /nfs/dbraw/zinc/56/26/02/712562602.db2.gz MGBGAMQYZFXMAL-UHFFFAOYSA-N 0 3 247.298 1.722 20 10 BDCDHN COC(C[NH2+][C@H](C)c1ccccc1[O-])OC ZINC000037473016 712644212 /nfs/dbraw/zinc/64/42/12/712644212.db2.gz RMUVODFMUWQKCZ-SECBINFHSA-N 0 3 225.288 1.662 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]C/C=C/CO)c([O-])c1 ZINC000717531293 712660493 /nfs/dbraw/zinc/66/04/93/712660493.db2.gz DPJUROGCWZQKRK-PGLGOXFNSA-N 0 3 221.300 1.900 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@@H](CO)CC(F)F ZINC000717712903 712666497 /nfs/dbraw/zinc/66/64/97/712666497.db2.gz KQNCLTIOOHRVGU-SECBINFHSA-N 0 3 249.232 1.637 20 10 BDCDHN CN1CC[C@@H]([NH2+][C@H]2CCc3cccc([O-])c32)C1 ZINC000380211685 712726539 /nfs/dbraw/zinc/72/65/39/712726539.db2.gz HYELYVPSKVIFFA-NEPJUHHUSA-N 0 3 232.327 1.673 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1[O-] ZINC000038060523 712804206 /nfs/dbraw/zinc/80/42/06/712804206.db2.gz RGYADTQDGYJZCU-GHMZBOCLSA-N 0 3 237.299 1.458 20 10 BDCDHN C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2[O-])CO1 ZINC000402183633 970770197 /nfs/dbraw/zinc/77/01/97/970770197.db2.gz BQCFVGZFAGROPQ-KCJUWKMLSA-N 0 3 225.263 1.798 20 10 BDCDHN CNC(=O)CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000037253990 957740842 /nfs/dbraw/zinc/74/08/42/957740842.db2.gz KTOWZTVAZJBOAY-JTQLQIEISA-N 0 3 235.331 1.149 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001140948202 960748899 /nfs/dbraw/zinc/74/88/99/960748899.db2.gz YANIUUQRYWXAEB-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](O)C2)c([O-])c1 ZINC001140948202 960748905 /nfs/dbraw/zinc/74/89/05/960748905.db2.gz YANIUUQRYWXAEB-BXUZGUMPSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001140947958 960749015 /nfs/dbraw/zinc/74/90/15/960749015.db2.gz MZOCUJZQKHGEPW-AWEZNQCLSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@](C)(CO)C2)c([O-])c1 ZINC001140947958 960749031 /nfs/dbraw/zinc/74/90/31/960749031.db2.gz MZOCUJZQKHGEPW-AWEZNQCLSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001140957505 960755946 /nfs/dbraw/zinc/75/59/46/960755946.db2.gz BWDFCVJBYBBCOU-UHFFFAOYSA-N 0 3 246.354 1.838 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC3(CN(C)C3)C2)c([O-])c1 ZINC001140957505 960755971 /nfs/dbraw/zinc/75/59/71/960755971.db2.gz BWDFCVJBYBBCOU-UHFFFAOYSA-N 0 3 246.354 1.838 20 10 BDCDHN COC(=O)CC[N@@H+](C)Cc1ccc(C)cc1[O-] ZINC001140957717 960758238 /nfs/dbraw/zinc/75/82/38/960758238.db2.gz LDNPNJYUFZMTJE-UHFFFAOYSA-N 0 3 237.299 1.696 20 10 BDCDHN COC(=O)CC[N@H+](C)Cc1ccc(C)cc1[O-] ZINC001140957717 960758222 /nfs/dbraw/zinc/75/82/22/960758222.db2.gz LDNPNJYUFZMTJE-UHFFFAOYSA-N 0 3 237.299 1.696 20 10 BDCDHN [NH3+][C@@H]1CCN(Cc2ccc(Cl)cc2[O-])C1 ZINC001236169173 966283546 /nfs/dbraw/zinc/28/35/46/966283546.db2.gz BCEZGPIEPBPJIA-SNVBAGLBSA-N 0 3 226.707 1.579 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001203550219 966677676 /nfs/dbraw/zinc/67/76/76/966677676.db2.gz MVAXGJJKWKYRQR-DGCLKSJQSA-N 0 3 219.284 1.755 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001203550219 966677696 /nfs/dbraw/zinc/67/76/96/966677696.db2.gz MVAXGJJKWKYRQR-DGCLKSJQSA-N 0 3 219.284 1.755 20 10 BDCDHN Oc1ccccc1CN1CCCC12COC2 ZINC001203556956 966688908 /nfs/dbraw/zinc/68/89/08/966688908.db2.gz XMDOLDDJQLZMGD-UHFFFAOYSA-N 0 3 219.284 1.757 20 10 BDCDHN CC1(C(N)=O)CC[NH+](Cc2ccccc2[O-])CC1 ZINC001203555766 966689585 /nfs/dbraw/zinc/68/95/85/966689585.db2.gz HYNUDUPTINRYHP-UHFFFAOYSA-N 0 3 248.326 1.480 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])CC1COC1 ZINC001203555741 966693079 /nfs/dbraw/zinc/69/30/79/966693079.db2.gz GPRBRRMHYUTMFY-UHFFFAOYSA-N 0 3 207.273 1.470 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])CC1COC1 ZINC001203555741 966693082 /nfs/dbraw/zinc/69/30/82/966693082.db2.gz GPRBRRMHYUTMFY-UHFFFAOYSA-N 0 3 207.273 1.470 20 10 BDCDHN COc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001203620430 966711029 /nfs/dbraw/zinc/71/10/29/966711029.db2.gz FMIWVPWPDDSJID-TVQRCGJNSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001203620430 966711034 /nfs/dbraw/zinc/71/10/34/966711034.db2.gz FMIWVPWPDDSJID-TVQRCGJNSA-N 0 3 237.299 1.213 20 10 BDCDHN C[C@]1(O)CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203875582 966806449 /nfs/dbraw/zinc/80/64/49/966806449.db2.gz QSIBKRDAWNWELC-LBPRGKRZSA-N 0 3 223.272 1.055 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001204277011 966954774 /nfs/dbraw/zinc/95/47/74/966954774.db2.gz VUSNZOSGNZOCEZ-PHIMTYICSA-N 0 3 235.283 1.176 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC001204277011 966954776 /nfs/dbraw/zinc/95/47/76/966954776.db2.gz VUSNZOSGNZOCEZ-PHIMTYICSA-N 0 3 235.283 1.176 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001204276586 966960210 /nfs/dbraw/zinc/96/02/10/966960210.db2.gz NTOBLMDIIASYGM-DGCLKSJQSA-N 0 3 235.283 1.461 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@H]2OCC[C@H]21 ZINC001204276586 966960219 /nfs/dbraw/zinc/96/02/19/966960219.db2.gz NTOBLMDIIASYGM-DGCLKSJQSA-N 0 3 235.283 1.461 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1CSC1 ZINC000829324579 968828846 /nfs/dbraw/zinc/82/88/46/968828846.db2.gz HLENVQWUFYLDHF-UHFFFAOYSA-N 0 3 209.314 1.845 20 10 BDCDHN COC(=O)[C@H](C)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001208723162 969208733 /nfs/dbraw/zinc/20/87/33/969208733.db2.gz MQFTXVNPVPZLIN-SNVBAGLBSA-N 0 3 249.310 1.559 20 10 BDCDHN COC(=O)[C@H](C)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001208723162 969208740 /nfs/dbraw/zinc/20/87/40/969208740.db2.gz MQFTXVNPVPZLIN-SNVBAGLBSA-N 0 3 249.310 1.559 20 10 BDCDHN CC(C)[C@H](O)C[N@@H+]1CCc2cccc([O-])c2C1 ZINC001253764874 969385658 /nfs/dbraw/zinc/38/56/58/969385658.db2.gz JEDLSFBXTXEEJN-CQSZACIVSA-N 0 3 235.327 1.767 20 10 BDCDHN CC(C)[C@H](O)C[N@H+]1CCc2cccc([O-])c2C1 ZINC001253764874 969385663 /nfs/dbraw/zinc/38/56/63/969385663.db2.gz JEDLSFBXTXEEJN-CQSZACIVSA-N 0 3 235.327 1.767 20 10 BDCDHN Cc1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c([O-])c1 ZINC001333370397 975716958 /nfs/dbraw/zinc/71/69/58/975716958.db2.gz IMDGHSXXGOKQNZ-CYBMUJFWSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2C[C@@H](O)C3(CC3)C2)c([O-])c1 ZINC001333370397 975716982 /nfs/dbraw/zinc/71/69/82/975716982.db2.gz IMDGHSXXGOKQNZ-CYBMUJFWSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1cnccc1Nc1c(N)cccc1O ZINC001174538497 976825115 /nfs/dbraw/zinc/82/51/15/976825115.db2.gz HRYUJMKRTQLXPQ-UHFFFAOYSA-N 0 3 215.256 1.843 20 10 BDCDHN [O-]c1ccc(F)cc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235079576 978972010 /nfs/dbraw/zinc/97/20/10/978972010.db2.gz VEHVWXZIPXFKON-VXGBXAGGSA-N 0 3 236.290 1.468 20 10 BDCDHN Nc1ccc(CNC(=O)[C@H](N)C2CCC2)cc1 ZINC001342019510 979621140 /nfs/dbraw/zinc/62/11/40/979621140.db2.gz DUHYBRQGADYSEA-GFCCVEGCSA-N 0 3 233.315 1.012 20 10 BDCDHN CCc1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001236784051 979727412 /nfs/dbraw/zinc/72/74/12/979727412.db2.gz RLJALSNWSQTWKD-IINYFYTJSA-N 0 3 235.327 1.767 20 10 BDCDHN CCc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001236784051 979727419 /nfs/dbraw/zinc/72/74/19/979727419.db2.gz RLJALSNWSQTWKD-IINYFYTJSA-N 0 3 235.327 1.767 20 10 BDCDHN CC(C)C[C@@H](N)C(=O)NCc1ccc(N)cc1 ZINC001346209409 980786020 /nfs/dbraw/zinc/78/60/20/980786020.db2.gz ISHBSEHRHSZKFD-GFCCVEGCSA-N 0 3 235.331 1.258 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000717401339 984194003 /nfs/dbraw/zinc/19/40/03/984194003.db2.gz SXMVNWQZCPLIOR-SNVBAGLBSA-N 0 3 249.232 1.795 20 10 BDCDHN CC(C)N(C)CC(=O)NCc1ccc(N)cc1 ZINC001515331534 989026464 /nfs/dbraw/zinc/02/64/64/989026464.db2.gz FMONNPPYKSXWQH-UHFFFAOYSA-N 0 3 235.331 1.225 20 10 BDCDHN CC[C@H]([NH2+]Cc1c([O-])cccc1OC)[C@@H](C)O ZINC001325133330 989095882 /nfs/dbraw/zinc/09/58/82/989095882.db2.gz PIVRNMDTXAPWHX-KOLCDFICSA-N 0 3 239.315 1.650 20 10 BDCDHN Oc1ccc(F)cc1CN1CC[C@@H](F)[C@@H](O)C1 ZINC001140058324 991510710 /nfs/dbraw/zinc/51/07/10/991510710.db2.gz WWOVZAHNKOIAON-PWSUYJOCSA-N 0 3 243.253 1.436 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC001560811244 991609643 /nfs/dbraw/zinc/60/96/43/991609643.db2.gz COQMLGAJUCUYFQ-TVQRCGJNSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC001560811244 991609647 /nfs/dbraw/zinc/60/96/47/991609647.db2.gz COQMLGAJUCUYFQ-TVQRCGJNSA-N 0 3 239.290 1.734 20 10 BDCDHN C[NH2+]C[C@H](C)C(=O)NCc1c([O-])cccc1F ZINC001263199832 993160999 /nfs/dbraw/zinc/16/09/99/993160999.db2.gz RVVKEJMUBQWEMU-QMMMGPOBSA-N 0 3 240.278 1.003 20 10 BDCDHN CC1(C)[C@H](N)C[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC001576380057 993284101 /nfs/dbraw/zinc/28/41/01/993284101.db2.gz GHZHYDPRQFBPFX-MNOVXSKESA-N 0 3 238.306 1.747 20 10 BDCDHN CC1(C)[C@@H](N)C[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC001576380058 993287662 /nfs/dbraw/zinc/28/76/62/993287662.db2.gz GHZHYDPRQFBPFX-QWRGUYRKSA-N 0 3 238.306 1.747 20 10 BDCDHN CN(C)CC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297197749 343996536 /nfs/dbraw/zinc/99/65/36/343996536.db2.gz FVCXVOTYSVJPMR-LLVKDONJSA-N 0 3 220.316 1.531 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000294790457 398263756 /nfs/dbraw/zinc/26/37/56/398263756.db2.gz HNLYEYVPQFKGEY-PHIMTYICSA-N 0 3 237.299 1.404 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000193692250 178798878 /nfs/dbraw/zinc/79/88/78/178798878.db2.gz UIIMQPUZGSFFKD-MFKMUULPSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1ccc(O)c(CN[C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000193692250 178798879 /nfs/dbraw/zinc/79/88/79/178798879.db2.gz UIIMQPUZGSFFKD-MFKMUULPSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H](C)N(C)C)c1[O-] ZINC000163729323 179092679 /nfs/dbraw/zinc/09/26/79/179092679.db2.gz PHTIJEIQRXKHCP-LLVKDONJSA-N 0 3 222.332 1.740 20 10 BDCDHN Cc1cccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1[O-] ZINC000128233416 179100014 /nfs/dbraw/zinc/10/00/14/179100014.db2.gz XMQCEBJYXGJSSU-VXGBXAGGSA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1cccc(C[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000294846638 179100060 /nfs/dbraw/zinc/10/00/60/179100060.db2.gz NALOOAHEUMJXII-PHIMTYICSA-N 0 3 207.273 1.314 20 10 BDCDHN CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1[O-] ZINC000294896031 353792733 /nfs/dbraw/zinc/79/27/33/353792733.db2.gz RFOIFYXRJDVRLC-JFGNBEQYSA-N 0 3 221.300 1.956 20 10 BDCDHN NC(=O)[C@H]1CCCCN1Cc1ccccc1O ZINC000179553362 181279858 /nfs/dbraw/zinc/27/98/58/181279858.db2.gz NCDJOEODXNQVSW-LLVKDONJSA-N 0 3 234.299 1.232 20 10 BDCDHN OCC1(NCc2ccc3c(c2)CCO3)CCC1 ZINC000133141304 183037943 /nfs/dbraw/zinc/03/79/43/183037943.db2.gz OMZVGIRUXORYLC-UHFFFAOYSA-N 0 3 233.311 1.626 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C1(CO)CCC1 ZINC000157498295 183038706 /nfs/dbraw/zinc/03/87/06/183038706.db2.gz NGBWUDPUXYQUEA-UHFFFAOYSA-N 0 3 207.273 1.397 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCN1CC=CCC1 ZINC000279776656 183301596 /nfs/dbraw/zinc/30/15/96/183301596.db2.gz KXESFHSHMNMETO-UHFFFAOYSA-N 0 3 232.327 1.744 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188818690 183303195 /nfs/dbraw/zinc/30/31/95/183303195.db2.gz IWYRJVOFKJLDAE-CMPLNLGQSA-N 0 3 221.300 1.643 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000125265886 183304077 /nfs/dbraw/zinc/30/40/77/183304077.db2.gz PYBCVWXVNMKILQ-JQWIXIFHSA-N 0 3 207.273 1.395 20 10 BDCDHN CCC[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823775 169386826 /nfs/dbraw/zinc/38/68/26/169386826.db2.gz FFZFGHGWWUQEDH-LLVKDONJSA-N 0 3 236.315 1.478 20 10 BDCDHN CC(C)[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000038313032 384081306 /nfs/dbraw/zinc/08/13/06/384081306.db2.gz SHVPVNHYJGUUJF-LLVKDONJSA-N 0 3 209.289 1.499 20 10 BDCDHN CCOc1cccc(CN(C)CCOC)c1O ZINC000133463051 384293476 /nfs/dbraw/zinc/29/34/76/384293476.db2.gz WKDHZYWVZGXCPV-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC(C)(C)O)c1 ZINC000078638699 384454228 /nfs/dbraw/zinc/45/42/28/384454228.db2.gz VPZDPDQDCDMTES-UHFFFAOYSA-N 0 3 209.289 1.561 20 10 BDCDHN CC[C@](C)(O)C[NH2+]Cc1cccc(OC)c1[O-] ZINC000096478745 384462993 /nfs/dbraw/zinc/46/29/93/384462993.db2.gz DJPNKXXXJXTXBD-ZDUSSCGKSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1cc(Cl)cc(C[N@H+](C)CCO)c1[O-] ZINC000184671998 384636868 /nfs/dbraw/zinc/63/68/68/384636868.db2.gz FEAKPYSVISEAGG-UHFFFAOYSA-N 0 3 245.706 1.478 20 10 BDCDHN COc1cc(Cl)cc(C[N@@H+](C)CCO)c1[O-] ZINC000184671998 384636873 /nfs/dbraw/zinc/63/68/73/384636873.db2.gz FEAKPYSVISEAGG-UHFFFAOYSA-N 0 3 245.706 1.478 20 10 BDCDHN C[C@@H](CCCO)[NH2+]Cc1ccccc1[O-] ZINC000087358344 384773728 /nfs/dbraw/zinc/77/37/28/384773728.db2.gz XDEPVGPDLNLPRS-JTQLQIEISA-N 0 3 209.289 1.643 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CO)c([O-])c1 ZINC000083219204 384751781 /nfs/dbraw/zinc/75/17/81/384751781.db2.gz DMCHHMIEBFEDPQ-WDEREUQCSA-N 0 3 223.316 1.980 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](C)CO)c1cc(F)ccc1[O-] ZINC000087111425 385076026 /nfs/dbraw/zinc/07/60/26/385076026.db2.gz IJJORDKEBAVHLH-DTWKUNHWSA-N 0 3 227.279 1.810 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000155011228 385370183 /nfs/dbraw/zinc/37/01/83/385370183.db2.gz SWVLMMBNWLNLHU-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000155011228 385370185 /nfs/dbraw/zinc/37/01/85/385370185.db2.gz SWVLMMBNWLNLHU-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccccc1[O-] ZINC000131297885 385325226 /nfs/dbraw/zinc/32/52/26/385325226.db2.gz RIHUFTMVZIWJMN-QFYYESIMSA-N 0 3 241.356 1.639 20 10 BDCDHN CCN(CC)c1ccc(CNC(=O)CNC)cc1 ZINC000178712009 385414478 /nfs/dbraw/zinc/41/44/78/385414478.db2.gz JBZQRIRNTVUOKH-UHFFFAOYSA-N 0 3 249.358 1.368 20 10 BDCDHN C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180861535 385552867 /nfs/dbraw/zinc/55/28/67/385552867.db2.gz DWKXXHQEYMKAFM-NXEZZACHSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000180861535 385552871 /nfs/dbraw/zinc/55/28/71/385552871.db2.gz DWKXXHQEYMKAFM-NXEZZACHSA-N 0 3 239.290 1.734 20 10 BDCDHN CCOc1ccc(O)c(CN(C)CCOC)c1 ZINC000271046501 385778253 /nfs/dbraw/zinc/77/82/53/385778253.db2.gz QXSVHSFZAFCXOZ-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CC[N@H+](CCCO)Cc1cccc(OC)c1[O-] ZINC000271182875 385800589 /nfs/dbraw/zinc/80/05/89/385800589.db2.gz IFYXMRNDBPYPMY-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CC[N@@H+](CCCO)Cc1cccc(OC)c1[O-] ZINC000271182875 385800596 /nfs/dbraw/zinc/80/05/96/385800596.db2.gz IFYXMRNDBPYPMY-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN Cc1c(C[NH2+]Cc2cc(F)ccc2[O-])cnn1C ZINC000226618454 386346383 /nfs/dbraw/zinc/34/63/83/386346383.db2.gz DMBQABMZSJUCKQ-UHFFFAOYSA-N 0 3 249.289 1.863 20 10 BDCDHN COC[C@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565064 386334200 /nfs/dbraw/zinc/33/42/00/386334200.db2.gz JUQBDERIMXIGSV-JTQLQIEISA-N 0 3 239.290 2.000 20 10 BDCDHN COC[C@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000226565064 386334202 /nfs/dbraw/zinc/33/42/02/386334202.db2.gz JUQBDERIMXIGSV-JTQLQIEISA-N 0 3 239.290 2.000 20 10 BDCDHN CC[C@H](O)CNCc1ccc(N(C)C)c(F)c1 ZINC000291735696 386576686 /nfs/dbraw/zinc/57/66/86/386576686.db2.gz OJXLJFPCPMIEGK-NSHDSACASA-N 0 3 240.322 1.752 20 10 BDCDHN O=C1C[C@]2(CC[N@@H+](Cc3ccccc3[O-])C2)CN1 ZINC000279322500 386663377 /nfs/dbraw/zinc/66/33/77/386663377.db2.gz CGSGSSYTNZAZMT-CQSZACIVSA-N 0 3 246.310 1.104 20 10 BDCDHN O=C1C[C@]2(CC[N@H+](Cc3ccccc3[O-])C2)CN1 ZINC000279322500 386663381 /nfs/dbraw/zinc/66/33/81/386663381.db2.gz CGSGSSYTNZAZMT-CQSZACIVSA-N 0 3 246.310 1.104 20 10 BDCDHN CCC[C@](C)(N)C(=O)NCc1ccccc1O ZINC000166202120 386765248 /nfs/dbraw/zinc/76/52/48/386765248.db2.gz OASVFSFRYKMVLU-ZDUSSCGKSA-N 0 3 236.315 1.526 20 10 BDCDHN O=C(C[NH2+]Cc1ccccc1[O-])NCC1CC1 ZINC000165909094 386741609 /nfs/dbraw/zinc/74/16/09/386741609.db2.gz NKSPMYRKAFYORR-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN COC[C@H]1CCN1Cc1cc(F)ccc1O ZINC000293749376 386872430 /nfs/dbraw/zinc/87/24/30/386872430.db2.gz WPXABYQLDFKOAZ-LLVKDONJSA-N 0 3 225.263 1.752 20 10 BDCDHN CO[C@H](C[NH2+]Cc1ccccc1[O-])C1CC1 ZINC000292884429 387249361 /nfs/dbraw/zinc/24/93/61/387249361.db2.gz CHPLSSKSPCZIBL-CYBMUJFWSA-N 0 3 221.300 1.907 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])C(=O)N1CCCC1 ZINC000134405608 387807075 /nfs/dbraw/zinc/80/70/75/387807075.db2.gz NXIKDWNTTQBMNS-NSHDSACASA-N 0 3 248.326 1.493 20 10 BDCDHN Cc1nocc1CNCc1ccccc1O ZINC000293668441 388357995 /nfs/dbraw/zinc/35/79/95/388357995.db2.gz UQPQBPSMDNKBJZ-UHFFFAOYSA-N 0 3 218.256 1.978 20 10 BDCDHN Cn1nccc1C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000295771550 388413142 /nfs/dbraw/zinc/41/31/42/388413142.db2.gz AJSKLMAYEBDILO-LBPRGKRZSA-N 0 3 243.310 1.903 20 10 BDCDHN C[C@H](CCO)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297529347 388431059 /nfs/dbraw/zinc/43/10/59/388431059.db2.gz DLRNSVXYGKQESH-ZYHUDNBSSA-N 0 3 235.327 1.988 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000273612485 389043532 /nfs/dbraw/zinc/04/35/32/389043532.db2.gz WLQPPFWFXAPTTN-MNOVXSKESA-N 0 3 248.326 1.582 20 10 BDCDHN CCN1CC[C@@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000037643900 170008029 /nfs/dbraw/zinc/00/80/29/170008029.db2.gz VXZHJJGOGFXZEK-LBPRGKRZSA-N 0 3 234.343 1.824 20 10 BDCDHN CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccccc1[O-] ZINC000274859957 170909330 /nfs/dbraw/zinc/90/93/30/170909330.db2.gz CQOUTCQKYXWLAW-ZYHUDNBSSA-N 0 3 248.326 1.664 20 10 BDCDHN CN1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1[O-] ZINC000226587847 173032461 /nfs/dbraw/zinc/03/24/61/173032461.db2.gz QRXSGDDHOYMHBM-GFCCVEGCSA-N 0 3 238.306 1.715 20 10 BDCDHN CN1CC[N@H+](Cc2ccccc2[O-])C(C)(C)C1 ZINC000271474367 173090833 /nfs/dbraw/zinc/09/08/33/173090833.db2.gz ZRYLXUJUUDSTJZ-UHFFFAOYSA-N 0 3 234.343 1.918 20 10 BDCDHN CN1CC[N@@H+](Cc2ccccc2[O-])C(C)(C)C1 ZINC000271474367 173090834 /nfs/dbraw/zinc/09/08/34/173090834.db2.gz ZRYLXUJUUDSTJZ-UHFFFAOYSA-N 0 3 234.343 1.918 20 10 BDCDHN CNC(=O)CCC[NH2+]Cc1ccccc1[O-] ZINC000136403516 173242108 /nfs/dbraw/zinc/24/21/08/173242108.db2.gz OZFMXNWEGKKHAM-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN CNCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171597 173330073 /nfs/dbraw/zinc/33/00/73/173330073.db2.gz GBABAMSCOPOBDW-UHFFFAOYSA-N 0 3 247.342 1.122 20 10 BDCDHN COCCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000083347384 174247179 /nfs/dbraw/zinc/24/71/79/174247179.db2.gz XHMUTIXIZGMASG-UHFFFAOYSA-N 0 3 213.252 1.657 20 10 BDCDHN COCC[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000087111306 174339547 /nfs/dbraw/zinc/33/95/47/174339547.db2.gz YKDWRNBLDPUVGG-MRVPVSSYSA-N 0 3 213.252 1.828 20 10 BDCDHN COc1ccc(CN[C@H](C)CO)cc1C ZINC000037258696 175111613 /nfs/dbraw/zinc/11/16/13/175111613.db2.gz HIHHVUZEXSXNQO-SNVBAGLBSA-N 0 3 209.289 1.474 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000180634268 175157973 /nfs/dbraw/zinc/15/79/73/175157973.db2.gz IOLBFYOOOUCRDW-ZDUSSCGKSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@](C)(O)C2)c1 ZINC000180634268 175157975 /nfs/dbraw/zinc/15/79/75/175157975.db2.gz IOLBFYOOOUCRDW-ZDUSSCGKSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc(O)c(CNCc2cn[nH]c2)c1 ZINC000038005974 175158979 /nfs/dbraw/zinc/15/89/79/175158979.db2.gz JTYVPWZKQCWLSE-UHFFFAOYSA-N 0 3 233.271 1.414 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000134236758 175158981 /nfs/dbraw/zinc/15/89/81/175158981.db2.gz MKZPQFMIXJHXTD-CABZTGNLSA-N 0 3 237.299 1.668 20 10 BDCDHN COc1ccc(O)c(CN[C@H](C)c2cn[nH]c2)c1 ZINC000224935460 175158983 /nfs/dbraw/zinc/15/89/83/175158983.db2.gz AVERPQRYTUTPMX-SECBINFHSA-N 0 3 247.298 1.975 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CCO)c1 ZINC000132517190 175158985 /nfs/dbraw/zinc/15/89/85/175158985.db2.gz SNCVBTVCDSRCNY-SECBINFHSA-N 0 3 225.288 1.261 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134236741 175159107 /nfs/dbraw/zinc/15/91/07/175159107.db2.gz MKZPQFMIXJHXTD-SKDRFNHKSA-N 0 3 237.299 1.668 20 10 BDCDHN COc1cccc(C[N@@H+](C)C[C@H](C)OC)c1[O-] ZINC000289211768 175254960 /nfs/dbraw/zinc/25/49/60/175254960.db2.gz CAFOEZPRYOJURK-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN COc1cccc(C[N@H+](C)C[C@H](C)OC)c1[O-] ZINC000289211768 175254961 /nfs/dbraw/zinc/25/49/61/175254961.db2.gz CAFOEZPRYOJURK-JTQLQIEISA-N 0 3 239.315 1.868 20 10 BDCDHN COc1cccc(C[NH2+]C[C@@H]2CCOC2)c1[O-] ZINC000037738183 175264625 /nfs/dbraw/zinc/26/46/25/175264625.db2.gz BXLPZQVJIQYZBW-JTQLQIEISA-N 0 3 237.299 1.527 20 10 BDCDHN C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000193687307 176184156 /nfs/dbraw/zinc/18/41/56/176184156.db2.gz BUNGSUKQRXSLDE-SKDRFNHKSA-N 0 3 234.299 1.006 20 10 BDCDHN C[C@@H]1CN(Cc2cc(Cl)ccc2[O-])CC[NH2+]1 ZINC000083368862 176302217 /nfs/dbraw/zinc/30/22/17/176302217.db2.gz NMMDMEAHCWQPCY-SECBINFHSA-N 0 3 240.734 1.839 20 10 BDCDHN C[C@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296196307 176706704 /nfs/dbraw/zinc/70/67/04/176706704.db2.gz YTMGUYXZDVLFDU-PSASIEDQSA-N 0 3 207.273 1.350 20 10 BDCDHN C[C@H]1COCC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC000369451439 177288313 /nfs/dbraw/zinc/28/83/13/177288313.db2.gz JNLNVPMNQUVDPZ-SNVBAGLBSA-N 0 3 239.290 2.000 20 10 BDCDHN C[C@H]1COCC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC000369451439 177288314 /nfs/dbraw/zinc/28/83/14/177288314.db2.gz JNLNVPMNQUVDPZ-SNVBAGLBSA-N 0 3 239.290 2.000 20 10 BDCDHN COCC[NH2+]Cc1ccc(OC)c(OC)c1[O-] ZINC000892429897 582885866 /nfs/dbraw/zinc/88/58/66/582885866.db2.gz UGBGLKAYLYUPJX-UHFFFAOYSA-N 0 3 241.287 1.145 20 10 BDCDHN CON(C)CC[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000850479391 582919489 /nfs/dbraw/zinc/91/94/89/582919489.db2.gz RPSRCEUTAPKAGV-LLVKDONJSA-N 0 3 238.331 1.844 20 10 BDCDHN CCOc1ccc(C[NH2+][C@@H](C)COC)c([O-])c1 ZINC000725844029 582898110 /nfs/dbraw/zinc/89/81/10/582898110.db2.gz JYACYNASOVQBMK-JTQLQIEISA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1[O-] ZINC000840979170 583214366 /nfs/dbraw/zinc/21/43/66/583214366.db2.gz RXQNGRDCNFIACW-YPMHNXCESA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H]1[C@H](CO)CCC[N@H+]1Cc1ccccc1[O-] ZINC000840979170 583214368 /nfs/dbraw/zinc/21/43/68/583214368.db2.gz RXQNGRDCNFIACW-YPMHNXCESA-N 0 3 235.327 1.985 20 10 BDCDHN c1cc(CNC[C@@H]2COCO2)cc2c1OCC2 ZINC000894870550 583539518 /nfs/dbraw/zinc/53/95/18/583539518.db2.gz LXFSKMSYCSIOQG-GFCCVEGCSA-N 0 3 235.283 1.084 20 10 BDCDHN [O-]c1ccccc1C[N@H+](CCO)CC1CC1 ZINC000128551093 583548622 /nfs/dbraw/zinc/54/86/22/583548622.db2.gz MZXZANILEJNQDJ-UHFFFAOYSA-N 0 3 221.300 1.597 20 10 BDCDHN [O-]c1ccccc1C[N@@H+](CCO)CC1CC1 ZINC000128551093 583548626 /nfs/dbraw/zinc/54/86/26/583548626.db2.gz MZXZANILEJNQDJ-UHFFFAOYSA-N 0 3 221.300 1.597 20 10 BDCDHN CC1=NO[C@@H](CNCc2cccc(C)c2O)C1 ZINC000895307066 583647773 /nfs/dbraw/zinc/64/77/73/583647773.db2.gz NYODNHDQYHYELB-GFCCVEGCSA-N 0 3 234.299 1.955 20 10 BDCDHN CC1=NO[C@@H](C[NH2+]Cc2cccc(C)c2[O-])C1 ZINC000895307066 583647775 /nfs/dbraw/zinc/64/77/75/583647775.db2.gz NYODNHDQYHYELB-GFCCVEGCSA-N 0 3 234.299 1.955 20 10 BDCDHN COc1cc(C)cc(CN2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895644903 583700626 /nfs/dbraw/zinc/70/06/26/583700626.db2.gz HYCDUDATDGTORF-FZMZJTMJSA-N 0 3 249.310 1.276 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000895655202 583701111 /nfs/dbraw/zinc/70/11/11/583701111.db2.gz UYCMPVIYGBNEDV-JSGCOSHPSA-N 0 3 233.311 1.521 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@@H]3C[C@]3(O)C2)c1[O-] ZINC000895655202 583701112 /nfs/dbraw/zinc/70/11/12/583701112.db2.gz UYCMPVIYGBNEDV-JSGCOSHPSA-N 0 3 233.311 1.521 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897683791 584040315 /nfs/dbraw/zinc/04/03/15/584040315.db2.gz GXIMLUQHBPNXFB-KOLCDFICSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1[O-] ZINC000897683791 584040316 /nfs/dbraw/zinc/04/03/16/584040316.db2.gz GXIMLUQHBPNXFB-KOLCDFICSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1ccc(CN[C@@]2(C)CCNC2=O)cc1C ZINC000897873901 584056512 /nfs/dbraw/zinc/05/65/12/584056512.db2.gz ROAYHSHCHCQDFL-AWEZNQCLSA-N 0 3 248.326 1.372 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CC[C@H](O)C1CC1 ZINC000898198238 584098207 /nfs/dbraw/zinc/09/82/07/584098207.db2.gz OZBMFTIOWMKYOF-ZDUSSCGKSA-N 0 3 235.327 1.951 20 10 BDCDHN C[C@H]([NH2+]CC1(N)CC1)c1cc(F)cc(F)c1[O-] ZINC000902408630 584575796 /nfs/dbraw/zinc/57/57/96/584575796.db2.gz ZSASWMKLYRTFCK-ZETCQYMHSA-N 0 3 242.269 1.812 20 10 BDCDHN C[C@H](NCC1([NH3+])CC1)c1cc(F)cc(F)c1[O-] ZINC000902408630 584575797 /nfs/dbraw/zinc/57/57/97/584575797.db2.gz ZSASWMKLYRTFCK-ZETCQYMHSA-N 0 3 242.269 1.812 20 10 BDCDHN CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCc2cccc([O-])c21 ZINC000902446232 584594225 /nfs/dbraw/zinc/59/42/25/584594225.db2.gz SSAZZMAUXADVQM-YPMHNXCESA-N 0 3 246.354 1.967 20 10 BDCDHN C[C@H]([NH2+]CC1(N)CC1)c1ccccc1[O-] ZINC000902413456 584599404 /nfs/dbraw/zinc/59/94/04/584599404.db2.gz LUNYUARXBGEEPQ-VIFPVBQESA-N 0 3 206.289 1.534 20 10 BDCDHN [O-]c1cccc2c1[C@@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902464255 584612978 /nfs/dbraw/zinc/61/29/78/584612978.db2.gz BDSZAGCCZUPYDC-MROQNXINSA-N 0 3 244.338 1.862 20 10 BDCDHN Cc1cc(Cl)cc(C[NH2+]C/C=C/CO)c1[O-] ZINC000826936599 584896451 /nfs/dbraw/zinc/89/64/51/584896451.db2.gz ACEMUXPTACNZJM-NSCUHMNNSA-N 0 3 241.718 1.992 20 10 BDCDHN CC(C)[N@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000732281866 584936049 /nfs/dbraw/zinc/93/60/49/584936049.db2.gz DIUSWOFFFFEXRW-UHFFFAOYSA-N 0 3 242.344 1.524 20 10 BDCDHN CC(C)[N@@H+](C)CCNC(=O)c1cc([O-])cs1 ZINC000732281866 584936050 /nfs/dbraw/zinc/93/60/50/584936050.db2.gz DIUSWOFFFFEXRW-UHFFFAOYSA-N 0 3 242.344 1.524 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])CC1(C)COC1 ZINC000744401640 585149882 /nfs/dbraw/zinc/14/98/82/585149882.db2.gz FRUSOTDWGWGTTP-UHFFFAOYSA-N 0 3 221.300 1.861 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])CC1(C)COC1 ZINC000744401640 585149883 /nfs/dbraw/zinc/14/98/83/585149883.db2.gz FRUSOTDWGWGTTP-UHFFFAOYSA-N 0 3 221.300 1.861 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783735430 585841354 /nfs/dbraw/zinc/84/13/54/585841354.db2.gz QEODIIAWHJBMJX-IINYFYTJSA-N 0 3 249.310 1.215 20 10 BDCDHN COc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783735430 585841355 /nfs/dbraw/zinc/84/13/55/585841355.db2.gz QEODIIAWHJBMJX-IINYFYTJSA-N 0 3 249.310 1.215 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000788270028 585920279 /nfs/dbraw/zinc/92/02/79/585920279.db2.gz OIUGDDMGNQZWJU-KCJUWKMLSA-N 0 3 225.263 1.486 20 10 BDCDHN C[C@@H]1C[C@H](O)C[N@H+]1Cc1cc(F)ccc1[O-] ZINC000788270028 585920280 /nfs/dbraw/zinc/92/02/80/585920280.db2.gz OIUGDDMGNQZWJU-KCJUWKMLSA-N 0 3 225.263 1.486 20 10 BDCDHN CCOc1ccc(C[N@H+](C)[C@H](C)CO)c([O-])c1 ZINC000809746746 586517115 /nfs/dbraw/zinc/51/71/15/586517115.db2.gz ZZPIJSBDXLWBIM-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1ccc(C[N@@H+](C)[C@H](C)CO)c([O-])c1 ZINC000809746746 586517116 /nfs/dbraw/zinc/51/71/16/586517116.db2.gz ZZPIJSBDXLWBIM-SNVBAGLBSA-N 0 3 239.315 1.604 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000809751775 586517449 /nfs/dbraw/zinc/51/74/49/586517449.db2.gz KGFPMAQVECMUKO-AWEZNQCLSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)C[C@H](O)C2CC2)c1 ZINC000809751775 586517450 /nfs/dbraw/zinc/51/74/50/586517450.db2.gz KGFPMAQVECMUKO-AWEZNQCLSA-N 0 3 235.327 1.903 20 10 BDCDHN CN1C[C@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000814172863 586615483 /nfs/dbraw/zinc/61/54/83/586615483.db2.gz BXRBGQLEWYADTF-DGCLKSJQSA-N 0 3 232.327 1.528 20 10 BDCDHN CN1C[C@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000814172863 586615484 /nfs/dbraw/zinc/61/54/84/586615484.db2.gz BXRBGQLEWYADTF-DGCLKSJQSA-N 0 3 232.327 1.528 20 10 BDCDHN C[NH2+]CCN[C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817952805 586848914 /nfs/dbraw/zinc/84/89/14/586848914.db2.gz SUTBVAQUTIFAGP-QMMMGPOBSA-N 0 3 228.723 1.916 20 10 BDCDHN CNCC[NH2+][C@@H](C)c1cc(Cl)ccc1[O-] ZINC000817952805 586848917 /nfs/dbraw/zinc/84/89/17/586848917.db2.gz SUTBVAQUTIFAGP-QMMMGPOBSA-N 0 3 228.723 1.916 20 10 BDCDHN C[C@@H]([NH2+][C@H](CN)C1CC1)c1ccccc1[O-] ZINC000817959434 586851414 /nfs/dbraw/zinc/85/14/14/586851414.db2.gz FYNNPADIMNHZSS-BXKDBHETSA-N 0 3 220.316 1.780 20 10 BDCDHN C[C@@H](NCC1C[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817964891 586854359 /nfs/dbraw/zinc/85/43/59/586854359.db2.gz IPPLOYFJABWOTR-SSDOTTSWSA-N 0 3 242.269 1.540 20 10 BDCDHN C[C@@H]([NH2+]CC1CNC1)c1cc(F)cc(F)c1[O-] ZINC000817964891 586854360 /nfs/dbraw/zinc/85/43/60/586854360.db2.gz IPPLOYFJABWOTR-SSDOTTSWSA-N 0 3 242.269 1.540 20 10 BDCDHN C[C@@H](N)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000817972762 586859248 /nfs/dbraw/zinc/85/92/48/586859248.db2.gz OIOFJEYESTZWBM-SFYZADRCSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H](N)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000817978197 586861962 /nfs/dbraw/zinc/86/19/62/586861962.db2.gz YGOVDJQJUIHOOZ-UTLUCORTSA-N 0 3 208.305 1.779 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@H](C)N(C)C ZINC000824988529 587297322 /nfs/dbraw/zinc/29/73/22/587297322.db2.gz LYFVAXFUMCOLOO-JTQLQIEISA-N 0 3 238.331 1.441 20 10 BDCDHN COc1cccc(C[NH2+]C2([C@@H](C)O)CC2)c1[O-] ZINC000827579945 587389807 /nfs/dbraw/zinc/38/98/07/587389807.db2.gz MOIAUYWMGKSNME-SECBINFHSA-N 0 3 237.299 1.404 20 10 BDCDHN C[C@H](O)C1(NCc2ccc3c(c2)CCO3)CC1 ZINC000827579903 587390005 /nfs/dbraw/zinc/39/00/05/587390005.db2.gz LANARPURSWWWON-JTQLQIEISA-N 0 3 233.311 1.625 20 10 BDCDHN CCc1cccc(C[NH2+]C2([C@@H](C)O)CC2)c1[O-] ZINC000827585512 587390181 /nfs/dbraw/zinc/39/01/81/587390181.db2.gz KOBHSTOCOLOSOM-SNVBAGLBSA-N 0 3 235.327 1.958 20 10 BDCDHN Cc1cccc(C[NH2+]C2([C@@H](C)O)CC2)c1[O-] ZINC000827585747 587390571 /nfs/dbraw/zinc/39/05/71/587390571.db2.gz PIWFACRTXZLLHW-SNVBAGLBSA-N 0 3 221.300 1.704 20 10 BDCDHN COc1cccc([O-])c1CNCC(C)(C)[NH3+] ZINC000841031708 587937052 /nfs/dbraw/zinc/93/70/52/587937052.db2.gz ZJAAFBWGMUCVJV-UHFFFAOYSA-N 0 3 224.304 1.228 20 10 BDCDHN [O-]c1cccc(Cl)c1CNC[C@@H]1CCC[NH2+]1 ZINC000841035685 587937947 /nfs/dbraw/zinc/93/79/47/587937947.db2.gz JSOXUVIJGJNIHX-VIFPVBQESA-N 0 3 240.734 1.887 20 10 BDCDHN C[C@H](C[NH3+])CNCc1c([O-])ccc(Cl)c1F ZINC000841047694 587939182 /nfs/dbraw/zinc/93/91/82/587939182.db2.gz BSZSBOUZVIFEHL-SSDOTTSWSA-N 0 3 246.713 1.869 20 10 BDCDHN CCC[NH2+]CCNCc1cc(F)ccc1[O-] ZINC000841046567 587939481 /nfs/dbraw/zinc/93/94/81/587939481.db2.gz HKTVHHXYZANDFO-UHFFFAOYSA-N 0 3 226.295 1.621 20 10 BDCDHN C[C@@H](CCN)[NH2+]Cc1cccc(F)c1[O-] ZINC000841052275 587939793 /nfs/dbraw/zinc/93/97/93/587939793.db2.gz SQRXWZDGQZUXDI-QMMMGPOBSA-N 0 3 212.268 1.358 20 10 BDCDHN CC1([NH2+]Cc2ccccc2[O-])CCNCC1 ZINC000841064769 587941249 /nfs/dbraw/zinc/94/12/49/587941249.db2.gz JHCRURUZONIXPB-UHFFFAOYSA-N 0 3 220.316 1.624 20 10 BDCDHN C[C@@H]1CNCC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841062604 587941434 /nfs/dbraw/zinc/94/14/34/587941434.db2.gz AWKYRBZSGXDTNV-SKDRFNHKSA-N 0 3 238.306 1.619 20 10 BDCDHN C[C@H]1C[C@@H](NCc2cccc(F)c2[O-])CC[NH2+]1 ZINC000841061167 587941987 /nfs/dbraw/zinc/94/19/87/587941987.db2.gz FRFTWNBXPGAIAV-ONGXEEELSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@H]1CCN[C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000841846294 587977129 /nfs/dbraw/zinc/97/71/29/587977129.db2.gz OYXOIHZAAPBHGV-CABZTGNLSA-N 0 3 233.315 1.595 20 10 BDCDHN COc1cccc([O-])c1CN1CCC[C@H]([NH3+])C1 ZINC000843043830 588075761 /nfs/dbraw/zinc/07/57/61/588075761.db2.gz JPZHSFXFFDEUHK-JTQLQIEISA-N 0 3 236.315 1.324 20 10 BDCDHN C[C@@H]([NH3+])[C@H]1CCN(Cc2cccc(F)c2[O-])C1 ZINC000843058757 588078210 /nfs/dbraw/zinc/07/82/10/588078210.db2.gz XNTFKSGCMNVVJB-ZJUUUORDSA-N 0 3 238.306 1.700 20 10 BDCDHN COC(=O)CC1([NH2+]Cc2cc(C)ccc2[O-])CC1 ZINC000846026953 588253990 /nfs/dbraw/zinc/25/39/90/588253990.db2.gz JKGUZRMHSCTHAJ-UHFFFAOYSA-N 0 3 249.310 1.886 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@@H](C)CO)c1[O-] ZINC000846148193 588258653 /nfs/dbraw/zinc/25/86/53/588258653.db2.gz OZECMJFTQYRFQV-IUCAKERBSA-N 0 3 225.288 1.432 20 10 BDCDHN CN[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000848415406 588380837 /nfs/dbraw/zinc/38/08/37/588380837.db2.gz UETJJEVZMMYINS-NSHDSACASA-N 0 3 249.358 1.285 20 10 BDCDHN CCc1cccc(C[N@@H+]2CCC[C@H]2CO)c1[O-] ZINC000848883086 588416919 /nfs/dbraw/zinc/41/69/19/588416919.db2.gz JAUQUCYTZBHTPT-ZDUSSCGKSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@H+]2CCC[C@H]2CO)c1[O-] ZINC000848883086 588416920 /nfs/dbraw/zinc/41/69/20/588416920.db2.gz JAUQUCYTZBHTPT-ZDUSSCGKSA-N 0 3 235.327 1.911 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+]C/C=C\CO)c1 ZINC000850357526 588538886 /nfs/dbraw/zinc/53/88/86/588538886.db2.gz MNURYDNZCLSPTH-ARJAWSKDSA-N 0 3 237.299 1.429 20 10 BDCDHN CCOc1ccc(O)c(CNC/C=C\CO)c1 ZINC000850357526 588538888 /nfs/dbraw/zinc/53/88/88/588538888.db2.gz MNURYDNZCLSPTH-ARJAWSKDSA-N 0 3 237.299 1.429 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]C/C=C/CO)c1[O-] ZINC000850510218 588554803 /nfs/dbraw/zinc/55/48/03/588554803.db2.gz VZCLDENULHUBDD-HMDXOVGESA-N 0 3 237.299 1.600 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1[O-] ZINC000850578604 588561732 /nfs/dbraw/zinc/56/17/32/588561732.db2.gz LZMMZDFMZMCHJO-GUBZILKMSA-N 0 3 237.299 1.575 20 10 BDCDHN COc1cccc([O-])c1CN(C)C[C@H](C)[NH3+] ZINC000863653175 589307616 /nfs/dbraw/zinc/30/76/16/589307616.db2.gz DRMROXVRCXSLAD-VIFPVBQESA-N 0 3 224.304 1.180 20 10 BDCDHN COc1cccc([O-])c1CN(C)C[C@@H](C)[NH3+] ZINC000863653174 589307996 /nfs/dbraw/zinc/30/79/96/589307996.db2.gz DRMROXVRCXSLAD-SECBINFHSA-N 0 3 224.304 1.180 20 10 BDCDHN [NH2+]=C(NCCC1CC1)NCc1ccccc1[O-] ZINC000864452466 589365306 /nfs/dbraw/zinc/36/53/06/589365306.db2.gz GYBQISACVCFGFI-UHFFFAOYSA-N 0 3 233.315 1.806 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC2(CO)CC2)c1 ZINC000122350335 589582640 /nfs/dbraw/zinc/58/26/40/589582640.db2.gz JEUVDWTUOZXYBW-UHFFFAOYSA-N 0 3 237.299 1.263 20 10 BDCDHN CC(C)N(C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871201726 589744497 /nfs/dbraw/zinc/74/44/97/589744497.db2.gz ZVEURDRBGJFPLZ-UHFFFAOYSA-N 0 3 248.326 1.575 20 10 BDCDHN CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876751326 590238075 /nfs/dbraw/zinc/23/80/75/590238075.db2.gz VYASDDOZUUDIRU-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN CO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876751326 590238076 /nfs/dbraw/zinc/23/80/76/590238076.db2.gz VYASDDOZUUDIRU-GFCCVEGCSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CCCN(C)C2)c([O-])c1 ZINC000876961572 590261396 /nfs/dbraw/zinc/26/13/96/590261396.db2.gz INPGMPXLPVRDMC-CYBMUJFWSA-N 0 3 234.343 1.884 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H](O)C(C)C)c([O-])c1 ZINC000877037623 590272474 /nfs/dbraw/zinc/27/24/74/590272474.db2.gz SZGFBRNBDBUHOM-ZDUSSCGKSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](CO)C2CC2)c([O-])c1 ZINC000877045539 590274087 /nfs/dbraw/zinc/27/40/87/590274087.db2.gz XWRNEMMBAPFGGD-GFCCVEGCSA-N 0 3 221.300 1.561 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H](C)[C@H](C)CO ZINC000877058266 590275562 /nfs/dbraw/zinc/27/55/62/590275562.db2.gz WYBZCVAKMUFUIS-MNOVXSKESA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)CC(N)=O)c([O-])c1 ZINC000877095218 590281856 /nfs/dbraw/zinc/28/18/56/590281856.db2.gz PTJQIJIKDYGSPS-VIFPVBQESA-N 0 3 222.288 1.054 20 10 BDCDHN CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877141573 590291500 /nfs/dbraw/zinc/29/15/00/590291500.db2.gz AGVXUXTVNBZYSM-SNVBAGLBSA-N 0 3 236.315 1.315 20 10 BDCDHN Cc1ccc(C[NH2+]CC2(CCO)CC2)c([O-])c1 ZINC000877441487 590328230 /nfs/dbraw/zinc/32/82/30/590328230.db2.gz BSAZGPMMMNHHLA-UHFFFAOYSA-N 0 3 235.327 1.953 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000877463040 590332656 /nfs/dbraw/zinc/33/26/56/590332656.db2.gz YYMQTQMLMWKSTD-SMDDNHRTSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000877463040 590332658 /nfs/dbraw/zinc/33/26/58/590332658.db2.gz YYMQTQMLMWKSTD-SMDDNHRTSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000877483071 590337823 /nfs/dbraw/zinc/33/78/23/590337823.db2.gz JHXZVOGKTXBESV-BETUJISGSA-N 0 3 246.354 1.694 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CN(C)C[C@H]2C1 ZINC000877483071 590337825 /nfs/dbraw/zinc/33/78/25/590337825.db2.gz JHXZVOGKTXBESV-BETUJISGSA-N 0 3 246.354 1.694 20 10 BDCDHN CCN(Cc1ccc(C)cc1O)[C@H]1CCNC1=O ZINC000877499168 590341173 /nfs/dbraw/zinc/34/11/73/590341173.db2.gz LZWBQOKAHWYDSC-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1cccc(O)c1CNCc1cnnn1C ZINC000877535268 590350357 /nfs/dbraw/zinc/35/03/57/590350357.db2.gz XENWIQUZSLDQME-UHFFFAOYSA-N 0 3 232.287 1.119 20 10 BDCDHN CC[N@H+](Cc1ccc(C)cc1[O-])[C@H](C)CO ZINC000877543262 590352112 /nfs/dbraw/zinc/35/21/12/590352112.db2.gz BCTQZMQQJWBDIN-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[N@@H+](Cc1ccc(C)cc1[O-])[C@H](C)CO ZINC000877543262 590352114 /nfs/dbraw/zinc/35/21/14/590352114.db2.gz BCTQZMQQJWBDIN-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c([O-])c1 ZINC000877574759 590363296 /nfs/dbraw/zinc/36/32/96/590363296.db2.gz UNTZDYDLEIHMLN-PHIMTYICSA-N 0 3 207.273 1.314 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@H]1CCCNC1=O ZINC000877586357 590368047 /nfs/dbraw/zinc/36/80/47/590368047.db2.gz BNJGKXWOYARNTA-LLVKDONJSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C1CSC1 ZINC000877633940 590378937 /nfs/dbraw/zinc/37/89/37/590378937.db2.gz AUCRHOWZCGBAIW-UHFFFAOYSA-N 0 3 209.314 1.906 20 10 BDCDHN COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2[O-])C1 ZINC000877634894 590379452 /nfs/dbraw/zinc/37/94/52/590379452.db2.gz ZDXWIDDVYLSMPM-TXEJJXNPSA-N 0 3 249.310 1.742 20 10 BDCDHN [O-]c1ccccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132222051 591694131 /nfs/dbraw/zinc/69/41/31/591694131.db2.gz RRIDUCTXKCYAPD-OLZOCXBDSA-N 0 3 232.327 1.719 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1[O-] ZINC000134812040 591952248 /nfs/dbraw/zinc/95/22/48/591952248.db2.gz GJRWTRFGDASHGU-GAFUQQFSSA-N 0 3 221.300 1.956 20 10 BDCDHN CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccccc1[O-] ZINC000136100932 592093686 /nfs/dbraw/zinc/09/36/86/592093686.db2.gz XFJLXWAYNKYDFC-ONGXEEELSA-N 0 3 236.315 1.697 20 10 BDCDHN COC(OC)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000234595465 635556331 /nfs/dbraw/zinc/55/63/31/635556331.db2.gz BUCVCTXRQDUVAL-QMMMGPOBSA-N 0 3 243.278 1.628 20 10 BDCDHN CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccccc1[O-] ZINC000136100976 632542153 /nfs/dbraw/zinc/54/21/53/632542153.db2.gz XFJLXWAYNKYDFC-GXSJLCMTSA-N 0 3 236.315 1.697 20 10 BDCDHN CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000167879079 633133795 /nfs/dbraw/zinc/13/37/95/633133795.db2.gz MASLDVGJXUUWIF-SNVBAGLBSA-N 0 3 236.315 1.395 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783737989 633161323 /nfs/dbraw/zinc/16/13/23/633161323.db2.gz ASOILFOSERJYIN-MFKMUULPSA-N 0 3 237.274 1.346 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783737989 633161326 /nfs/dbraw/zinc/16/13/26/633161326.db2.gz ASOILFOSERJYIN-MFKMUULPSA-N 0 3 237.274 1.346 20 10 BDCDHN Cc1ccc([C@@H](C)N[C@@H]2CNOC2)c(O)c1 ZINC000925862609 635560951 /nfs/dbraw/zinc/56/09/51/635560951.db2.gz VXHUSCCRAOVAFK-NXEZZACHSA-N 0 3 222.288 1.255 20 10 BDCDHN Cc1ccc([C@H](C)N[C@H]2CNOC2)c(O)c1 ZINC000925870311 635583292 /nfs/dbraw/zinc/58/32/92/635583292.db2.gz VXHUSCCRAOVAFK-UWVGGRQHSA-N 0 3 222.288 1.255 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CC23CC(O)C3)c([O-])c1 ZINC000897841945 636836301 /nfs/dbraw/zinc/83/63/01/636836301.db2.gz RMPSGHCEYYWBAN-HRDQMINSSA-N 0 3 233.311 1.704 20 10 BDCDHN CCNC(=O)[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000035134261 636854962 /nfs/dbraw/zinc/85/49/62/636854962.db2.gz HOGDKJPXXKWUCV-LLVKDONJSA-N 0 3 249.358 1.367 20 10 BDCDHN CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1[O-] ZINC000079928562 636861811 /nfs/dbraw/zinc/86/18/11/636861811.db2.gz VTQOEWQEHIUIDB-JQWIXIFHSA-N 0 3 248.326 1.712 20 10 BDCDHN [NH3+]C1(CNCc2cc(Cl)cc(F)c2[O-])CC1 ZINC000904449932 637413976 /nfs/dbraw/zinc/41/39/76/637413976.db2.gz NLGOXMNKADWVOJ-UHFFFAOYSA-N 0 3 244.697 1.766 20 10 BDCDHN [NH3+]C1CC(NCc2c([O-])ccc(Cl)c2F)C1 ZINC000906510588 638182977 /nfs/dbraw/zinc/18/29/77/638182977.db2.gz MNIOBRYYZLGTHE-UHFFFAOYSA-N 0 3 244.697 1.764 20 10 BDCDHN CC[C@@H](C)C[C@@H](N)C(=O)Nc1ccc(N)cc1 ZINC000911660887 639693506 /nfs/dbraw/zinc/69/35/06/639693506.db2.gz NWISYQBOKOCACX-BXKDBHETSA-N 0 3 235.331 1.971 20 10 BDCDHN CNC(=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000044988443 640478853 /nfs/dbraw/zinc/47/88/53/640478853.db2.gz JVXRFAIYGQOQON-VIFPVBQESA-N 0 3 222.288 1.179 20 10 BDCDHN C[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)ccc1[O-] ZINC000226584588 640779023 /nfs/dbraw/zinc/77/90/23/640779023.db2.gz YEMFFIMTIKENQZ-SNVBAGLBSA-N 0 3 249.289 1.906 20 10 BDCDHN CNC(=O)CC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180065405 642769307 /nfs/dbraw/zinc/76/93/07/642769307.db2.gz MBUDOYQQTSYECH-UHFFFAOYSA-N 0 3 240.278 1.099 20 10 BDCDHN CNC(=O)CC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180065405 642769315 /nfs/dbraw/zinc/76/93/15/642769315.db2.gz MBUDOYQQTSYECH-UHFFFAOYSA-N 0 3 240.278 1.099 20 10 BDCDHN CN1CC(C[N@H+](C)Cc2ccccc2[O-])C1 ZINC000827126184 645074281 /nfs/dbraw/zinc/07/42/81/645074281.db2.gz XDAXHPQLSJIXRW-UHFFFAOYSA-N 0 3 220.316 1.386 20 10 BDCDHN CN1CC(C[N@@H+](C)Cc2ccccc2[O-])C1 ZINC000827126184 645074282 /nfs/dbraw/zinc/07/42/82/645074282.db2.gz XDAXHPQLSJIXRW-UHFFFAOYSA-N 0 3 220.316 1.386 20 10 BDCDHN CC[C@H]([NH2+]Cc1cc(F)ccc1[O-])[C@H](C)O ZINC000386728551 711649720 /nfs/dbraw/zinc/64/97/20/711649720.db2.gz ARUAUBDJMVGVLL-KWQFWETISA-N 0 3 227.279 1.780 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(F)ccc1[O-] ZINC000712596584 712436360 /nfs/dbraw/zinc/43/63/60/712436360.db2.gz VCFOZTXVDYJMFZ-MWLCHTKSSA-N 0 3 238.306 1.886 20 10 BDCDHN CC[C@@H](N)C(=O)N(C)Cc1ccccc1O ZINC000037823777 712764778 /nfs/dbraw/zinc/76/47/78/712764778.db2.gz MVFBZCMJGDJGAD-SNVBAGLBSA-N 0 3 222.288 1.088 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CCCn1cncn1 ZINC000381751785 710700884 /nfs/dbraw/zinc/70/08/84/710700884.db2.gz DWTQGUYWPGGTBN-UHFFFAOYSA-N 0 3 232.287 1.164 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1COCCO1)CC2 ZINC000386534198 711031779 /nfs/dbraw/zinc/03/17/79/711031779.db2.gz PRSZTEAAHPQUPJ-RYUDHWBXSA-N 0 3 249.310 1.385 20 10 BDCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@H](C)O ZINC000395372181 711208187 /nfs/dbraw/zinc/20/81/87/711208187.db2.gz VAVRPNFYCPEUKL-ONGXEEELSA-N 0 3 209.289 1.641 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)CC(F)(F)F ZINC000717788447 711621209 /nfs/dbraw/zinc/62/12/09/711621209.db2.gz BMUBNVWPYOOSOS-SECBINFHSA-N 0 3 249.232 1.795 20 10 BDCDHN CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1=O ZINC000708663943 712196488 /nfs/dbraw/zinc/19/64/88/712196488.db2.gz BBPZLOTTYKWTCE-PWSUYJOCSA-N 0 3 248.326 1.664 20 10 BDCDHN CNC(=O)CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000037253992 712560662 /nfs/dbraw/zinc/56/06/62/712560662.db2.gz KTOWZTVAZJBOAY-SNVBAGLBSA-N 0 3 235.331 1.149 20 10 BDCDHN CC[C@@H]([NH2+]C/C=C/CO)c1ccccc1[O-] ZINC000717533781 712660770 /nfs/dbraw/zinc/66/07/70/712660770.db2.gz ZNXRWDODVZPDFP-BTDICHCPSA-N 0 3 221.300 1.981 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)CC2 ZINC000720935794 712879895 /nfs/dbraw/zinc/87/98/95/712879895.db2.gz IMZKOUDRTPHHKO-DLOVCJGASA-N 0 3 233.311 1.740 20 10 BDCDHN CN(C)c1ccc(CN2CC(CO)C2)cc1 ZINC000164416178 959983124 /nfs/dbraw/zinc/98/31/24/959983124.db2.gz NHFBYKCWLAVVSR-UHFFFAOYSA-N 0 3 220.316 1.177 20 10 BDCDHN COCCN(C)Cc1cc(O)ccc1O ZINC001141156084 960889790 /nfs/dbraw/zinc/88/97/90/960889790.db2.gz PXZDSRBDEICAEU-UHFFFAOYSA-N 0 3 211.261 1.176 20 10 BDCDHN COC[C@H]1CCN1Cc1cc(O)ccc1O ZINC001141162987 960898678 /nfs/dbraw/zinc/89/86/78/960898678.db2.gz NLCKOPAJFNDFSX-SNVBAGLBSA-N 0 3 223.272 1.319 20 10 BDCDHN CC1(C[N@@H+]2CCc3cccc([O-])c3C2)COC1 ZINC001207801970 961812642 /nfs/dbraw/zinc/81/26/42/961812642.db2.gz YUYYAJNCEVCCOW-UHFFFAOYSA-N 0 3 233.311 1.787 20 10 BDCDHN CC1(C[N@H+]2CCc3cccc([O-])c3C2)COC1 ZINC001207801970 961812644 /nfs/dbraw/zinc/81/26/44/961812644.db2.gz YUYYAJNCEVCCOW-UHFFFAOYSA-N 0 3 233.311 1.787 20 10 BDCDHN CC[C@H]([NH2+][C@@H]1CCc2cccc([O-])c21)C(=O)NC ZINC000697852936 964569917 /nfs/dbraw/zinc/56/99/17/964569917.db2.gz QMYOMKWFHDMITJ-WDEREUQCSA-N 0 3 248.326 1.494 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCCC[C@H](O)C1 ZINC001203549894 966682777 /nfs/dbraw/zinc/68/27/77/966682777.db2.gz BRCXKVYZAAQWCB-LBPRGKRZSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCCC[C@H](O)C1 ZINC001203549894 966682779 /nfs/dbraw/zinc/68/27/79/966682779.db2.gz BRCXKVYZAAQWCB-LBPRGKRZSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001203560879 966691162 /nfs/dbraw/zinc/69/11/62/966691162.db2.gz ITQLKZSVQWOJAY-ZDUSSCGKSA-N 0 3 219.284 1.757 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@]12CCOC2 ZINC001203560879 966691172 /nfs/dbraw/zinc/69/11/72/966691172.db2.gz ITQLKZSVQWOJAY-ZDUSSCGKSA-N 0 3 219.284 1.757 20 10 BDCDHN COc1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001203620432 966708708 /nfs/dbraw/zinc/70/87/08/966708708.db2.gz FMIWVPWPDDSJID-ZANVPECISA-N 0 3 237.299 1.213 20 10 BDCDHN COc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC001203620432 966708717 /nfs/dbraw/zinc/70/87/17/966708717.db2.gz FMIWVPWPDDSJID-ZANVPECISA-N 0 3 237.299 1.213 20 10 BDCDHN C[C@@H]1C[C@H](O)CN1Cc1ccc(O)c(O)c1 ZINC001203875833 966805707 /nfs/dbraw/zinc/80/57/07/966805707.db2.gz WUPGVKPLVGJJFA-SCZZXKLOSA-N 0 3 223.272 1.053 20 10 BDCDHN C[C@]1(O)CCCN(Cc2ccc(O)c(O)c2)C1 ZINC001203882936 966809671 /nfs/dbraw/zinc/80/96/71/966809671.db2.gz XQZOKHJJDXKSJP-ZDUSSCGKSA-N 0 3 237.299 1.445 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH+]1CC2CC(C2)C1 ZINC001204278226 966958018 /nfs/dbraw/zinc/95/80/18/966958018.db2.gz ZBDWZOWZOOWZOX-UHFFFAOYSA-N 0 3 219.284 1.940 20 10 BDCDHN Oc1ccc(CN2CC3(C2)CCCOC3)c(O)c1 ZINC001204277021 966960949 /nfs/dbraw/zinc/96/09/49/966960949.db2.gz WEHKRQVZJSYHMZ-UHFFFAOYSA-N 0 3 249.310 1.710 20 10 BDCDHN CN1CC=C(N(CCO)c2ccc(N)cc2)CC1 ZINC001208837451 969249491 /nfs/dbraw/zinc/24/94/91/969249491.db2.gz ITJGHIXFSARBBS-UHFFFAOYSA-N 0 3 247.342 1.287 20 10 BDCDHN CC(=O)N1CC[C@H]([NH2+][C@H](C)c2ccccc2[O-])C1 ZINC001169501547 969686669 /nfs/dbraw/zinc/68/66/69/969686669.db2.gz AHIMATTVFKNJIW-PWSUYJOCSA-N 0 3 248.326 1.664 20 10 BDCDHN Nc1ccc(CN[C@@H]2CNCCC2(F)F)cc1 ZINC001334775302 976640770 /nfs/dbraw/zinc/64/07/70/976640770.db2.gz VMJVMMOROOCHNP-LLVKDONJSA-N 0 3 241.285 1.356 20 10 BDCDHN Cc1cnccc1Nc1ccc(C(N)=O)cc1O ZINC001174538826 976829932 /nfs/dbraw/zinc/82/99/32/976829932.db2.gz SLHMGVVQSRWYDA-UHFFFAOYSA-N 0 3 243.266 1.360 20 10 BDCDHN COC(=O)CC1CN(Cc2cccc(C)c2O)C1 ZINC001231592495 977642530 /nfs/dbraw/zinc/64/25/30/977642530.db2.gz NBQRQYOYRFPDLR-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)C1CN(Cc2c(C)cc(C)cc2O)C1 ZINC001231843029 977759746 /nfs/dbraw/zinc/75/97/46/977759746.db2.gz SLDJOLBSUKZQRB-UHFFFAOYSA-N 0 3 249.310 1.614 20 10 BDCDHN CCCN(C)Cc1cc(O)c(O)c(O)c1 ZINC001233010085 978407313 /nfs/dbraw/zinc/40/73/13/978407313.db2.gz KTOWUUXERYIVAS-UHFFFAOYSA-N 0 3 211.261 1.645 20 10 BDCDHN CC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277402 978931350 /nfs/dbraw/zinc/93/13/50/978931350.db2.gz CTUOXWVCLHSXTP-SNVBAGLBSA-N 0 3 235.283 1.509 20 10 BDCDHN CC(=O)[C@@H]1CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204277402 978931362 /nfs/dbraw/zinc/93/13/62/978931362.db2.gz CTUOXWVCLHSXTP-SNVBAGLBSA-N 0 3 235.283 1.509 20 10 BDCDHN CC[N@@H+](CCCCO)Cc1ccccc1[O-] ZINC001236043943 979332261 /nfs/dbraw/zinc/33/22/61/979332261.db2.gz GQTCDJRQWCNIKH-UHFFFAOYSA-N 0 3 223.316 1.987 20 10 BDCDHN CC[N@H+](CCCCO)Cc1ccccc1[O-] ZINC001236043943 979332250 /nfs/dbraw/zinc/33/22/50/979332250.db2.gz GQTCDJRQWCNIKH-UHFFFAOYSA-N 0 3 223.316 1.987 20 10 BDCDHN CCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001236782307 979728079 /nfs/dbraw/zinc/72/80/79/979728079.db2.gz AINQOFRJFQZMMX-ZWNOBZJWSA-N 0 3 235.327 1.910 20 10 BDCDHN CCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001236782307 979728089 /nfs/dbraw/zinc/72/80/89/979728089.db2.gz AINQOFRJFQZMMX-ZWNOBZJWSA-N 0 3 235.327 1.910 20 10 BDCDHN CCCN(C)CC(=O)NCc1ccc(N)cc1 ZINC001356228822 983589284 /nfs/dbraw/zinc/58/92/84/983589284.db2.gz VOJWKHGJYQQKIN-UHFFFAOYSA-N 0 3 235.331 1.227 20 10 BDCDHN COc1cc(C)c(C[N@H+](C)[C@H](C)CO)c([O-])c1 ZINC001560810485 991606695 /nfs/dbraw/zinc/60/66/95/991606695.db2.gz BENLEGUGGMTRBX-SNVBAGLBSA-N 0 3 239.315 1.522 20 10 BDCDHN COc1cc(C)c(C[N@@H+](C)[C@H](C)CO)c([O-])c1 ZINC001560810485 991606698 /nfs/dbraw/zinc/60/66/98/991606698.db2.gz BENLEGUGGMTRBX-SNVBAGLBSA-N 0 3 239.315 1.522 20 10 BDCDHN C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)ccc1[O-] ZINC000390602637 993798697 /nfs/dbraw/zinc/79/86/97/993798697.db2.gz WQAPTGINQRMYQW-LDYMZIIASA-N 0 3 240.734 1.967 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](C)CCCO)cc1C ZINC000281800936 178195774 /nfs/dbraw/zinc/19/57/74/178195774.db2.gz PDCGZHHWJUXGLO-UHFFFAOYSA-N 0 3 223.316 1.823 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](C)CCCO)cc1C ZINC000281800936 178195775 /nfs/dbraw/zinc/19/57/75/178195775.db2.gz PDCGZHHWJUXGLO-UHFFFAOYSA-N 0 3 223.316 1.823 20 10 BDCDHN Cc1cc(O)c(CNCC(=O)NC2CC2)cc1C ZINC000266232976 178197506 /nfs/dbraw/zinc/19/75/06/178197506.db2.gz VDLTUVMPJFABNT-UHFFFAOYSA-N 0 3 248.326 1.377 20 10 BDCDHN C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1[O-] ZINC000228791623 398341745 /nfs/dbraw/zinc/34/17/45/398341745.db2.gz MJQPSMBSCAOCDA-XVKPBYJWSA-N 0 3 249.232 1.966 20 10 BDCDHN CC[C@H]([NH2+]CCOCCO)c1ccccc1[O-] ZINC000020198902 342976282 /nfs/dbraw/zinc/97/62/82/342976282.db2.gz RRKHTSQVELCDHR-LBPRGKRZSA-N 0 3 239.315 1.442 20 10 BDCDHN CCN1CCC([NH2+]Cc2ccccc2[O-])CC1 ZINC000038097903 343370862 /nfs/dbraw/zinc/37/08/62/343370862.db2.gz PJBMMFXMSINBFE-UHFFFAOYSA-N 0 3 234.343 1.966 20 10 BDCDHN CCN1CCN(Cc2cc(C)ccc2O)CC1 ZINC000131701072 345305682 /nfs/dbraw/zinc/30/56/82/345305682.db2.gz QRSKAWUHUGOEMP-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN Cc1cccc(C[N@@H+](CCO)C(C)C)c1[O-] ZINC000132484166 179072245 /nfs/dbraw/zinc/07/22/45/179072245.db2.gz UUIMRWXAHHAQGG-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[N@H+](CCO)C(C)C)c1[O-] ZINC000132484166 179072248 /nfs/dbraw/zinc/07/22/48/179072248.db2.gz UUIMRWXAHHAQGG-UHFFFAOYSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1[O-] ZINC000271841930 179073328 /nfs/dbraw/zinc/07/33/28/179073328.db2.gz TYWXWDHTQIGACN-GFCCVEGCSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc(C[N@H+]2CCC[C@@H](CO)C2)c1[O-] ZINC000271841930 179073329 /nfs/dbraw/zinc/07/33/29/179073329.db2.gz TYWXWDHTQIGACN-GFCCVEGCSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1[O-] ZINC000132488192 179078250 /nfs/dbraw/zinc/07/82/50/179078250.db2.gz DHQPWWPBARCWJI-LLVKDONJSA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H](O)C2)c1[O-] ZINC000132488192 179078251 /nfs/dbraw/zinc/07/82/51/179078251.db2.gz DHQPWWPBARCWJI-LLVKDONJSA-N 0 3 207.273 1.267 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000377852921 179081107 /nfs/dbraw/zinc/08/11/07/179081107.db2.gz VFWZSFRQOOQXJM-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H](CC(N)=O)C2)c1[O-] ZINC000377852921 179081108 /nfs/dbraw/zinc/08/11/08/179081108.db2.gz VFWZSFRQOOQXJM-LLVKDONJSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1[O-] ZINC000280452570 179084694 /nfs/dbraw/zinc/08/46/94/179084694.db2.gz LJJSUQYJCXZHGC-LBPRGKRZSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@H+]2C[C@H](O)C(C)(C)C2)c1[O-] ZINC000280452570 179084698 /nfs/dbraw/zinc/08/46/98/179084698.db2.gz LJJSUQYJCXZHGC-LBPRGKRZSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(CN2C[C@H](F)C[C@H]2CO)c1O ZINC000372646741 179085197 /nfs/dbraw/zinc/08/51/97/179085197.db2.gz CLVZQKKCCNLMHZ-NEPJUHHUSA-N 0 3 239.290 1.605 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000235915318 179082537 /nfs/dbraw/zinc/08/25/37/179082537.db2.gz TWCNCBVSUOYZBE-CQSZACIVSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@](C)(C(N)=O)C2)c1[O-] ZINC000235915318 179082540 /nfs/dbraw/zinc/08/25/40/179082540.db2.gz TWCNCBVSUOYZBE-CQSZACIVSA-N 0 3 248.326 1.398 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2CCCO2)c1[O-] ZINC000083351374 179093519 /nfs/dbraw/zinc/09/35/19/179093519.db2.gz VDUVSYJXBGXLOF-GFCCVEGCSA-N 0 3 221.300 1.969 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1[O-] ZINC000187987336 179094473 /nfs/dbraw/zinc/09/44/73/179094473.db2.gz BVFAMUXVBMKLCW-AAEUAGOBSA-N 0 3 235.327 1.951 20 10 BDCDHN CC(C)(C)[C@@H](CO)[NH2+]Cc1ccccc1[O-] ZINC000034510913 350470066 /nfs/dbraw/zinc/47/00/66/350470066.db2.gz WHJPLZJRKJLOTE-GFCCVEGCSA-N 0 3 223.316 1.889 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH+]1CCC(CO)CC1 ZINC000179915180 183040467 /nfs/dbraw/zinc/04/04/67/183040467.db2.gz LPYPBZHBJRRYSM-UHFFFAOYSA-N 0 3 239.290 1.736 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C1(CO)CCCC1 ZINC000053044529 183038264 /nfs/dbraw/zinc/03/82/64/183038264.db2.gz RGYGFTPHLKAKSZ-UHFFFAOYSA-N 0 3 221.300 1.787 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367777819 183132723 /nfs/dbraw/zinc/13/27/23/183132723.db2.gz KAJKRHDWOCHXKL-GDNZZTSVSA-N 0 3 237.274 1.201 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000367777819 183132724 /nfs/dbraw/zinc/13/27/24/183132724.db2.gz KAJKRHDWOCHXKL-GDNZZTSVSA-N 0 3 237.274 1.201 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(O)CC1 ZINC000039098686 183268617 /nfs/dbraw/zinc/26/86/17/183268617.db2.gz LLIMGRMTEUMWFI-UHFFFAOYSA-N 0 3 223.272 1.055 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@H](O)C1 ZINC000039098684 183269163 /nfs/dbraw/zinc/26/91/63/183269163.db2.gz HORYLZZXUCKIHB-NSHDSACASA-N 0 3 223.272 1.055 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@H](O)C1 ZINC000039098684 183269165 /nfs/dbraw/zinc/26/91/65/183269165.db2.gz HORYLZZXUCKIHB-NSHDSACASA-N 0 3 223.272 1.055 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000187985546 183274488 /nfs/dbraw/zinc/27/44/88/183274488.db2.gz OAXBFHIXOVXFMX-SKDRFNHKSA-N 0 3 239.290 1.782 20 10 BDCDHN CCCN(Cc1ccccc1O)C(=O)CN ZINC000236731960 169177186 /nfs/dbraw/zinc/17/71/86/169177186.db2.gz YKOOWDUKPTYGMF-UHFFFAOYSA-N 0 3 222.288 1.090 20 10 BDCDHN CCC[N@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000128037947 169165123 /nfs/dbraw/zinc/16/51/23/169165123.db2.gz CITQESJJLIJNBE-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CCC[N@@H+](CCO)Cc1cc(C)ccc1[O-] ZINC000128037947 169165125 /nfs/dbraw/zinc/16/51/25/169165125.db2.gz CITQESJJLIJNBE-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CCC[N@H+](CCO)Cc1cccc(C)c1[O-] ZINC000132483143 169166745 /nfs/dbraw/zinc/16/67/45/169166745.db2.gz KRBGJNKMESXGLG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN CCC[N@@H+](CCO)Cc1cccc(C)c1[O-] ZINC000132483143 169166746 /nfs/dbraw/zinc/16/67/46/169166746.db2.gz KRBGJNKMESXGLG-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Oc1ccccc1CN1CCN(C2CC2)CC1 ZINC000179556306 183301849 /nfs/dbraw/zinc/30/18/49/183301849.db2.gz HXHHIOJZNOIOKA-UHFFFAOYSA-N 0 3 232.327 1.672 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000076642623 183302984 /nfs/dbraw/zinc/30/29/84/183302984.db2.gz BRWWFGWLMVPDPZ-SNVBAGLBSA-N 0 3 209.314 1.987 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000084228023 183303247 /nfs/dbraw/zinc/30/32/47/183303247.db2.gz LOJOXOOXHQVLSA-WCQYABFASA-N 0 3 221.300 1.643 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188818630 183303640 /nfs/dbraw/zinc/30/36/40/183303640.db2.gz IWYRJVOFKJLDAE-PWSUYJOCSA-N 0 3 221.300 1.643 20 10 BDCDHN C[C@@H](CO)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000077421961 384066450 /nfs/dbraw/zinc/06/64/50/384066450.db2.gz JEZVMNNYFZAZIL-UWVGGRQHSA-N 0 3 209.289 1.499 20 10 BDCDHN CC(C)[C@@H](N)C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825818 384165496 /nfs/dbraw/zinc/16/54/96/384165496.db2.gz WZZBIVWNRLYLBZ-CYBMUJFWSA-N 0 3 249.358 1.352 20 10 BDCDHN CCOCC[NH2+]Cc1cc2c(cc1[O-])OCO2 ZINC000042879815 384251745 /nfs/dbraw/zinc/25/17/45/384251745.db2.gz SMOJNFRNAKNCBF-UHFFFAOYSA-N 0 3 239.271 1.247 20 10 BDCDHN CC(=O)N1CCC[N@H+](Cc2ccccc2[O-])CC1 ZINC000133275339 384281664 /nfs/dbraw/zinc/28/16/64/384281664.db2.gz ZKJKXJIEYXFRGQ-UHFFFAOYSA-N 0 3 248.326 1.446 20 10 BDCDHN CC(=O)N1CCC[N@@H+](Cc2ccccc2[O-])CC1 ZINC000133275339 384281671 /nfs/dbraw/zinc/28/16/71/384281671.db2.gz ZKJKXJIEYXFRGQ-UHFFFAOYSA-N 0 3 248.326 1.446 20 10 BDCDHN CC[N@H+](CCOC)Cc1cc(OC)ccc1[O-] ZINC000133265931 384282552 /nfs/dbraw/zinc/28/25/52/384282552.db2.gz KUZSTBNZACATGS-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CC[N@@H+](CCOC)Cc1cc(OC)ccc1[O-] ZINC000133265931 384282556 /nfs/dbraw/zinc/28/25/56/384282556.db2.gz KUZSTBNZACATGS-UHFFFAOYSA-N 0 3 239.315 1.869 20 10 BDCDHN CN(C)c1ccc(CN(C)[C@@H]2CCOC2)cc1 ZINC000120180020 384334008 /nfs/dbraw/zinc/33/40/08/384334008.db2.gz XHDQNYYLOZCKFB-CQSZACIVSA-N 0 3 234.343 1.973 20 10 BDCDHN CCOc1cccc(C[NH2+][C@H](C)CCO)c1[O-] ZINC000096811725 384480799 /nfs/dbraw/zinc/48/07/99/384480799.db2.gz FPXQKPIEXSCIQE-SNVBAGLBSA-N 0 3 239.315 1.651 20 10 BDCDHN CN(C)C1(C[NH2+]Cc2ccccc2[O-])CCC1 ZINC000097928847 384580267 /nfs/dbraw/zinc/58/02/67/384580267.db2.gz CGHUOIIVUWREPK-UHFFFAOYSA-N 0 3 234.343 1.966 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1[O-] ZINC000020195335 384592242 /nfs/dbraw/zinc/59/22/42/384592242.db2.gz MBOKSNBRCAFLER-ZJUUUORDSA-N 0 3 239.315 1.822 20 10 BDCDHN CCC[C@H](N)C(=O)NCc1ccccc1O ZINC000163195264 384763935 /nfs/dbraw/zinc/76/39/35/384763935.db2.gz JOIHVJVWIDTTDG-JTQLQIEISA-N 0 3 222.288 1.136 20 10 BDCDHN CC[C@@H](C[NH2+]Cc1cc(OC)ccc1[O-])OC ZINC000290818271 384787300 /nfs/dbraw/zinc/78/73/00/384787300.db2.gz GQUKAZNLKDEDSK-NSHDSACASA-N 0 3 239.315 1.915 20 10 BDCDHN CC[C@H](O)CC[NH2+]Cc1cccc(OC)c1[O-] ZINC000127403617 384894155 /nfs/dbraw/zinc/89/41/55/384894155.db2.gz HLNNAVCGFGNSNB-NSHDSACASA-N 0 3 239.315 1.651 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000128112935 384995788 /nfs/dbraw/zinc/99/57/88/384995788.db2.gz FVGLOUWQJLPNTB-CHWSQXEVSA-N 0 3 235.327 1.950 20 10 BDCDHN C[C@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1[O-] ZINC000087111423 385076053 /nfs/dbraw/zinc/07/60/53/385076053.db2.gz IJJORDKEBAVHLH-IUCAKERBSA-N 0 3 227.279 1.810 20 10 BDCDHN CCOc1cccc(CNCCF)c1O ZINC000280677001 385350870 /nfs/dbraw/zinc/35/08/70/385350870.db2.gz MSVSAEIVFHMSBP-UHFFFAOYSA-N 0 3 213.252 1.850 20 10 BDCDHN C[C@]1(O)CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000179578387 385476692 /nfs/dbraw/zinc/47/66/92/385476692.db2.gz JGJLSSFIQJVNQB-ZDUSSCGKSA-N 0 3 221.300 1.739 20 10 BDCDHN C[C@]1(O)CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179578387 385476695 /nfs/dbraw/zinc/47/66/95/385476695.db2.gz JGJLSSFIQJVNQB-ZDUSSCGKSA-N 0 3 221.300 1.739 20 10 BDCDHN C[C@H](O)CC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000180170344 385510045 /nfs/dbraw/zinc/51/00/45/385510045.db2.gz OAWOHJLFBNFHAK-VIFPVBQESA-N 0 3 227.279 1.734 20 10 BDCDHN C[C@H](O)CC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000180170344 385510048 /nfs/dbraw/zinc/51/00/48/385510048.db2.gz OAWOHJLFBNFHAK-VIFPVBQESA-N 0 3 227.279 1.734 20 10 BDCDHN COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccccc1[O-] ZINC000180195765 385512698 /nfs/dbraw/zinc/51/26/98/385512698.db2.gz LUBIUSZYQRYTRW-GFCCVEGCSA-N 0 3 249.310 1.920 20 10 BDCDHN COC(=O)C[C@H]1CCC[N@H+]1Cc1ccccc1[O-] ZINC000180195765 385512703 /nfs/dbraw/zinc/51/27/03/385512703.db2.gz LUBIUSZYQRYTRW-GFCCVEGCSA-N 0 3 249.310 1.920 20 10 BDCDHN CC[C@H](O)CNCc1ccc2c(c1)CCO2 ZINC000229964595 385695720 /nfs/dbraw/zinc/69/57/20/385695720.db2.gz XNYISUZYZDPDII-LBPRGKRZSA-N 0 3 221.300 1.482 20 10 BDCDHN C[C@H](CO)CCC[NH2+]Cc1ccccc1[O-] ZINC000230161387 385714754 /nfs/dbraw/zinc/71/47/54/385714754.db2.gz KHWLMAUGZHFKHA-NSHDSACASA-N 0 3 223.316 1.890 20 10 BDCDHN Cc1noc(CC[NH2+][C@@H](C)c2ccccc2[O-])n1 ZINC000183595553 385773627 /nfs/dbraw/zinc/77/36/27/385773627.db2.gz IKRBIKJXQSFJDR-VIFPVBQESA-N 0 3 247.298 1.977 20 10 BDCDHN COC[C@H](O)CC[NH2+][C@H](C)c1ccccc1[O-] ZINC000183634054 385782010 /nfs/dbraw/zinc/78/20/10/385782010.db2.gz KRTACYMXVCXYSE-GHMZBOCLSA-N 0 3 239.315 1.440 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000272378024 385899057 /nfs/dbraw/zinc/89/90/57/385899057.db2.gz HIESWTNHJVMHHW-GWCFXTLKSA-N 0 3 221.300 1.595 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000272378024 385899061 /nfs/dbraw/zinc/89/90/61/385899061.db2.gz HIESWTNHJVMHHW-GWCFXTLKSA-N 0 3 221.300 1.595 20 10 BDCDHN CN(C)c1ccc(CN[C@H]2C[C@@H](O)C2)cc1 ZINC000294888183 385909321 /nfs/dbraw/zinc/90/93/21/385909321.db2.gz QRVUPIRCLXEOJF-BJHJDKERSA-N 0 3 220.316 1.366 20 10 BDCDHN CO[C@H]1COC[C@@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297441341 386255935 /nfs/dbraw/zinc/25/59/35/386255935.db2.gz WEQDVSWZTPHSTD-MDZLAQPJSA-N 0 3 249.310 1.383 20 10 BDCDHN COc1cc(O)c(CN[C@H](C)CF)cc1OC ZINC000289247164 386278527 /nfs/dbraw/zinc/27/85/27/386278527.db2.gz ASGBKBGWCHUWTA-MRVPVSSYSA-N 0 3 243.278 1.857 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+](C)CCCCO)c1 ZINC000276524362 386338956 /nfs/dbraw/zinc/33/89/56/386338956.db2.gz COSIUZCBNATNJI-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+](C)CCCCO)c1 ZINC000276524362 386338961 /nfs/dbraw/zinc/33/89/61/386338961.db2.gz COSIUZCBNATNJI-UHFFFAOYSA-N 0 3 223.316 1.905 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(F)ccc1[O-] ZINC000295907316 386705197 /nfs/dbraw/zinc/70/51/97/386705197.db2.gz IYUCEQYNSRSHPF-UJNFCWOMSA-N 0 3 225.263 1.705 20 10 BDCDHN Cc1cc([O-])c(C[NH2+]CC2COC2)cc1C ZINC000527819724 387743711 /nfs/dbraw/zinc/74/37/11/387743711.db2.gz ZQLIRRAKSYTXIN-UHFFFAOYSA-N 0 3 221.300 1.745 20 10 BDCDHN CC[C@H](COC)[NH2+]Cc1cc(OC)ccc1[O-] ZINC000079732928 387956507 /nfs/dbraw/zinc/95/65/07/387956507.db2.gz PFPUQDSLZDIWCX-LLVKDONJSA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@@H](O)C[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000295809563 388414333 /nfs/dbraw/zinc/41/43/33/388414333.db2.gz CRYGRDVUZQCENP-PSASIEDQSA-N 0 3 207.273 1.350 20 10 BDCDHN CCOCC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226619316 388724416 /nfs/dbraw/zinc/72/44/16/388724416.db2.gz UKRXCKPBELERKM-UHFFFAOYSA-N 0 3 213.252 1.657 20 10 BDCDHN CC1(C[NH2+]Cc2ccccc2[O-])OCCCO1 ZINC000192251734 168043077 /nfs/dbraw/zinc/04/30/77/168043077.db2.gz HPXBAZQGPHRWNG-UHFFFAOYSA-N 0 3 237.299 1.635 20 10 BDCDHN CN1CC[C@@H]([NH2+]Cc2ccccc2[O-])C1 ZINC000042544017 173123878 /nfs/dbraw/zinc/12/38/78/173123878.db2.gz ORSJPWUATGTDEW-LLVKDONJSA-N 0 3 206.289 1.186 20 10 BDCDHN CN1CC[C@H]2CC[N@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000378499294 173161225 /nfs/dbraw/zinc/16/12/25/173161225.db2.gz PPJOURGSIRUZTE-JSGCOSHPSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@@H]21 ZINC000378499294 173161227 /nfs/dbraw/zinc/16/12/27/173161227.db2.gz PPJOURGSIRUZTE-JSGCOSHPSA-N 0 3 246.354 1.918 20 10 BDCDHN CNC(=O)[C@@H]1CCCCN1Cc1ccccc1O ZINC000133042497 173297840 /nfs/dbraw/zinc/29/78/40/173297840.db2.gz BBMNPYSGKVEWLD-LBPRGKRZSA-N 0 3 248.326 1.493 20 10 BDCDHN COCCC[N@H+](C)Cc1cc(F)ccc1[O-] ZINC000179997701 174219072 /nfs/dbraw/zinc/21/90/72/174219072.db2.gz CHBORTPFMAPJCW-UHFFFAOYSA-N 0 3 227.279 2.000 20 10 BDCDHN COCCC[N@@H+](C)Cc1cc(F)ccc1[O-] ZINC000179997701 174219074 /nfs/dbraw/zinc/21/90/74/174219074.db2.gz CHBORTPFMAPJCW-UHFFFAOYSA-N 0 3 227.279 2.000 20 10 BDCDHN COCCN(C)Cc1cc2c(cc1O)OCO2 ZINC000068960638 174279972 /nfs/dbraw/zinc/27/99/72/174279972.db2.gz WFGRSQDKOROOJB-UHFFFAOYSA-N 0 3 239.271 1.199 20 10 BDCDHN COCC[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000019881557 174338375 /nfs/dbraw/zinc/33/83/75/174338375.db2.gz BGZSZAZEECOFOQ-VIFPVBQESA-N 0 3 225.288 1.698 20 10 BDCDHN COc1ccc([O-])c(C[NH+]2CCCC2)c1 ZINC000163165837 175157042 /nfs/dbraw/zinc/15/70/42/175157042.db2.gz XLVZWOQRHOYSOQ-UHFFFAOYSA-N 0 3 207.273 1.997 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](CO)C(C)C)c1 ZINC000092392548 175159061 /nfs/dbraw/zinc/15/90/61/175159061.db2.gz WGFVDJYUFNFEGX-GFCCVEGCSA-N 0 3 239.315 1.507 20 10 BDCDHN COc1cccc(C[NH2+]CC2(C)COC2)c1[O-] ZINC000083523064 175262974 /nfs/dbraw/zinc/26/29/74/175262974.db2.gz SITXACGSATZLBO-UHFFFAOYSA-N 0 3 237.299 1.527 20 10 BDCDHN COc1cccc(C[NH2+]CCC(C)(C)O)c1[O-] ZINC000274774092 175263608 /nfs/dbraw/zinc/26/36/08/175263608.db2.gz SVFMQHJOMWWTHF-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000277914998 177295483 /nfs/dbraw/zinc/29/54/83/177295483.db2.gz PQNYJUPRZUSKRM-JQWIXIFHSA-N 0 3 221.300 1.907 20 10 BDCDHN C[NH2+]C[C@H](C)NCc1cc(Cl)ccc1[O-] ZINC000853250085 588729096 /nfs/dbraw/zinc/72/90/96/588729096.db2.gz ZSZFOWNBKWUQTA-QMMMGPOBSA-N 0 3 228.723 1.743 20 10 BDCDHN CNC[C@H](C)[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000854231722 583083448 /nfs/dbraw/zinc/08/34/48/583083448.db2.gz KSAWDYFCXHIHRK-YUMQZZPRSA-N 0 3 244.285 1.929 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC000877464002 583314829 /nfs/dbraw/zinc/31/48/29/583314829.db2.gz IETOMNYOXFVPCQ-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c([O-])c1 ZINC000877464002 583314830 /nfs/dbraw/zinc/31/48/30/583314830.db2.gz IETOMNYOXFVPCQ-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN CC1(C)CNCCN1C(=O)Cc1ccc(N)cc1 ZINC000841848805 583364592 /nfs/dbraw/zinc/36/45/92/583364592.db2.gz DXFKDUOCXYIDDQ-UHFFFAOYSA-N 0 3 247.342 1.022 20 10 BDCDHN CC1=NO[C@H](C[NH2+]Cc2c(C)cccc2[O-])C1 ZINC000895305425 583643138 /nfs/dbraw/zinc/64/31/38/583643138.db2.gz SDZBIJAWKCSQKB-NSHDSACASA-N 0 3 234.299 1.955 20 10 BDCDHN CCOc1ccc(O)c(CN2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895647812 583699506 /nfs/dbraw/zinc/69/95/06/583699506.db2.gz MICMZWRJHWICFV-BXUZGUMPSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1ccc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895647812 583699509 /nfs/dbraw/zinc/69/95/09/583699509.db2.gz MICMZWRJHWICFV-BXUZGUMPSA-N 0 3 249.310 1.358 20 10 BDCDHN CCOc1ccc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895647812 583699510 /nfs/dbraw/zinc/69/95/10/583699510.db2.gz MICMZWRJHWICFV-BXUZGUMPSA-N 0 3 249.310 1.358 20 10 BDCDHN COCC1CN(Cc2cc(OC)ccc2O)C1 ZINC000895971098 583756154 /nfs/dbraw/zinc/75/61/54/583756154.db2.gz KVOTYRZYEGZUNW-UHFFFAOYSA-N 0 3 237.299 1.479 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)c([O-])c1 ZINC000896554512 583812068 /nfs/dbraw/zinc/81/20/68/583812068.db2.gz ULQUBPYUMWHJHT-YPMHNXCESA-N 0 3 234.343 1.883 20 10 BDCDHN CC[N@H+](CCC(N)=O)Cc1cc(F)ccc1[O-] ZINC000896712545 583826133 /nfs/dbraw/zinc/82/61/33/583826133.db2.gz QYUHJZPTHIRXLI-UHFFFAOYSA-N 0 3 240.278 1.229 20 10 BDCDHN CC[N@@H+](CCC(N)=O)Cc1cc(F)ccc1[O-] ZINC000896712545 583826135 /nfs/dbraw/zinc/82/61/35/583826135.db2.gz QYUHJZPTHIRXLI-UHFFFAOYSA-N 0 3 240.278 1.229 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897678370 584036601 /nfs/dbraw/zinc/03/66/01/584036601.db2.gz ASNUPLVHCVFXPY-MFKMUULPSA-N 0 3 221.300 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897678370 584036604 /nfs/dbraw/zinc/03/66/04/584036604.db2.gz ASNUPLVHCVFXPY-MFKMUULPSA-N 0 3 221.300 1.513 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897680532 584037992 /nfs/dbraw/zinc/03/79/92/584037992.db2.gz SGAMOMRIGLTCBV-ZWNOBZJWSA-N 0 3 235.327 1.767 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1[O-] ZINC000897680532 584037993 /nfs/dbraw/zinc/03/79/93/584037993.db2.gz SGAMOMRIGLTCBV-ZWNOBZJWSA-N 0 3 235.327 1.767 20 10 BDCDHN C[C@H](CN)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841047942 584124514 /nfs/dbraw/zinc/12/45/14/584124514.db2.gz FEHLEGZDIDGLPT-MRVPVSSYSA-N 0 3 212.268 1.216 20 10 BDCDHN C[C@@H](N)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841076375 584743004 /nfs/dbraw/zinc/74/30/04/584743004.db2.gz GPROOTBQXCIIBI-SFYZADRCSA-N 0 3 212.268 1.357 20 10 BDCDHN C[C@H](CN)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000817966088 584992722 /nfs/dbraw/zinc/99/27/22/584992722.db2.gz GFAGOWMBBNIUMJ-PSASIEDQSA-N 0 3 206.289 1.316 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN1CC(CCO)C1 ZINC000839141164 585094366 /nfs/dbraw/zinc/09/43/66/585094366.db2.gz UKAMBYBBOMSOAE-UHFFFAOYSA-N 0 3 241.718 1.860 20 10 BDCDHN OCCC1CN(Cc2cc(Cl)ccc2O)C1 ZINC000839141164 585094367 /nfs/dbraw/zinc/09/43/67/585094367.db2.gz UKAMBYBBOMSOAE-UHFFFAOYSA-N 0 3 241.718 1.860 20 10 BDCDHN CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000765794967 585492696 /nfs/dbraw/zinc/49/26/96/585492696.db2.gz GOLGTKMDZJJSCX-RYUDHWBXSA-N 0 3 248.326 1.397 20 10 BDCDHN COc1cccc(O)c1CN1CCSCC1 ZINC000768237354 585534406 /nfs/dbraw/zinc/53/44/06/585534406.db2.gz PLIZGBVOVUIYFZ-UHFFFAOYSA-N 0 3 239.340 1.950 20 10 BDCDHN C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465785 585539109 /nfs/dbraw/zinc/53/91/09/585539109.db2.gz LHKXTFYXLQIWMY-NOZJJQNGSA-N 0 3 249.310 1.802 20 10 BDCDHN C[C@@H]1CCC[N@H+]1Cc1cc2c(cc1[O-])OC[C@H]2O ZINC000768465785 585539110 /nfs/dbraw/zinc/53/91/10/585539110.db2.gz LHKXTFYXLQIWMY-NOZJJQNGSA-N 0 3 249.310 1.802 20 10 BDCDHN COc1cccc(O)c1CN1CCCOCC1 ZINC000768889746 585545299 /nfs/dbraw/zinc/54/52/99/585545299.db2.gz QIRWTOUISXDANN-UHFFFAOYSA-N 0 3 237.299 1.623 20 10 BDCDHN NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1[O-] ZINC000770509484 585575192 /nfs/dbraw/zinc/57/51/92/585575192.db2.gz ATXWDGFGCAOVIG-LBPRGKRZSA-N 0 3 248.326 1.622 20 10 BDCDHN NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1[O-] ZINC000770509484 585575193 /nfs/dbraw/zinc/57/51/93/585575193.db2.gz ATXWDGFGCAOVIG-LBPRGKRZSA-N 0 3 248.326 1.622 20 10 BDCDHN COc1cccc([O-])c1C[N@H+](C)C[C@H](C)O ZINC000776521273 585699920 /nfs/dbraw/zinc/69/99/20/585699920.db2.gz OLDSYTPAMGMXSQ-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN COc1cccc([O-])c1C[N@@H+](C)C[C@H](C)O ZINC000776521273 585699921 /nfs/dbraw/zinc/69/99/21/585699921.db2.gz OLDSYTPAMGMXSQ-VIFPVBQESA-N 0 3 225.288 1.213 20 10 BDCDHN CN(Cc1ccccc1O)[C@H]1CCCN(C)C1=O ZINC000778949492 585742487 /nfs/dbraw/zinc/74/24/87/585742487.db2.gz JEKHFSJBIOWKSU-LBPRGKRZSA-N 0 3 248.326 1.445 20 10 BDCDHN C[C@@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1[O-] ZINC000788435041 585923245 /nfs/dbraw/zinc/92/32/45/585923245.db2.gz DISOIGPMKPEQEV-ZDUSSCGKSA-N 0 3 239.290 1.878 20 10 BDCDHN C[C@@]1(CO)CCC[N@H+]1Cc1cc(F)ccc1[O-] ZINC000788435041 585923246 /nfs/dbraw/zinc/92/32/46/585923246.db2.gz DISOIGPMKPEQEV-ZDUSSCGKSA-N 0 3 239.290 1.878 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CCC[C@H](C)O ZINC000788524828 585926282 /nfs/dbraw/zinc/92/62/82/585926282.db2.gz VQPLOHZJKRAACG-JTQLQIEISA-N 0 3 239.315 1.651 20 10 BDCDHN COc1cccc([O-])c1C[NH+]1CC(C)C1 ZINC000802651622 586307791 /nfs/dbraw/zinc/30/77/91/586307791.db2.gz UEUWQOBFZKQYMC-UHFFFAOYSA-N 0 3 207.273 1.853 20 10 BDCDHN Nc1ccc(CCNC(=O)[C@@H](N)C2CCC2)cc1 ZINC000817859015 586830991 /nfs/dbraw/zinc/83/09/91/586830991.db2.gz LTUSMIFPOJYLNS-ZDUSSCGKSA-N 0 3 247.342 1.055 20 10 BDCDHN C[C@H]([NH2+]C1CCNCC1)c1ccc(F)cc1[O-] ZINC000817934970 586843522 /nfs/dbraw/zinc/84/35/22/586843522.db2.gz DEGQFFIJEMJYHE-VIFPVBQESA-N 0 3 238.306 1.934 20 10 BDCDHN CNCCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817941355 586844907 /nfs/dbraw/zinc/84/49/07/586844907.db2.gz UABWZIBTKAQUIS-VIFPVBQESA-N 0 3 226.295 1.791 20 10 BDCDHN C[C@H](N[C@@H]1CC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817945302 586846334 /nfs/dbraw/zinc/84/63/34/586846334.db2.gz ZBPSFXMPMBJCFF-WCBMZHEXSA-N 0 3 224.279 1.544 20 10 BDCDHN C[C@@H](NC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1[O-] ZINC000817951620 586847901 /nfs/dbraw/zinc/84/79/01/586847901.db2.gz HOSVXMSNMAKAKG-KOLCDFICSA-N 0 3 238.306 1.934 20 10 BDCDHN CC[C@@H]([NH2+]CCNC)c1ccc(F)cc1[O-] ZINC000817953273 586848661 /nfs/dbraw/zinc/84/86/61/586848661.db2.gz YHGLUSDNJWNEQV-LLVKDONJSA-N 0 3 226.295 1.791 20 10 BDCDHN CC[C@@H](NCC[NH2+]C)c1ccc(F)cc1[O-] ZINC000817953273 586848663 /nfs/dbraw/zinc/84/86/63/586848663.db2.gz YHGLUSDNJWNEQV-LLVKDONJSA-N 0 3 226.295 1.791 20 10 BDCDHN [O-]c1cccc2c1[C@@H](NC[C@H]1CCC[NH2+]1)CC2 ZINC000817953600 586848905 /nfs/dbraw/zinc/84/89/05/586848905.db2.gz OXXXQNLHKJOAEM-NEPJUHHUSA-N 0 3 232.327 1.721 20 10 BDCDHN C[C@H](NCCc1ccc(N)cc1)c1nccn1C ZINC000817955489 586849723 /nfs/dbraw/zinc/84/97/23/586849723.db2.gz BZQXXKUXISRLSQ-NSHDSACASA-N 0 3 244.342 1.896 20 10 BDCDHN C[C@H]1C[C@H](NC2C[NH2+]C2)c2c1c(F)ccc2[O-] ZINC000817955443 586849728 /nfs/dbraw/zinc/84/97/28/586849728.db2.gz AVZBVQWXOLELBU-XVKPBYJWSA-N 0 3 236.290 1.641 20 10 BDCDHN CC[C@H]([NH2+]CC1CNC1)c1ccc(F)cc1[O-] ZINC000817964945 586853682 /nfs/dbraw/zinc/85/36/82/586853682.db2.gz KBSKADQNZIZHQQ-LBPRGKRZSA-N 0 3 238.306 1.791 20 10 BDCDHN C[C@@H](C[NH3+])N[C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817969891 586856702 /nfs/dbraw/zinc/85/67/02/586856702.db2.gz HSBGQOJGUUCJRH-YUMQZZPRSA-N 0 3 239.275 1.298 20 10 BDCDHN CC[C@H]([NH2+]C[C@@H](C)N)c1ccc(F)cc1[O-] ZINC000817974171 586860172 /nfs/dbraw/zinc/86/01/72/586860172.db2.gz ZXGLGKUJQDQNIF-KCJUWKMLSA-N 0 3 226.295 1.919 20 10 BDCDHN CN(C)c1ccc(CN[C@@H]2CCOC2)cc1F ZINC000818236337 586881584 /nfs/dbraw/zinc/88/15/84/586881584.db2.gz PQDOGBGNNMOEQC-LLVKDONJSA-N 0 3 238.306 1.770 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CC[C@@H](CCCO)C1 ZINC000825338940 587315720 /nfs/dbraw/zinc/31/57/20/587315720.db2.gz WXWQCBCVYFMAOP-GFCCVEGCSA-N 0 3 235.327 1.987 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CC[C@@H](CCCO)C1 ZINC000825338940 587315721 /nfs/dbraw/zinc/31/57/21/587315721.db2.gz WXWQCBCVYFMAOP-GFCCVEGCSA-N 0 3 235.327 1.987 20 10 BDCDHN COc1ccc(O)c(CN(C)Cc2cnc[nH]2)c1 ZINC000826769659 587361802 /nfs/dbraw/zinc/36/18/02/587361802.db2.gz QNFSAWHBKJVMOW-UHFFFAOYSA-N 0 3 247.298 1.756 20 10 BDCDHN C[C@]12COC[C@@H]1C[N@H+](Cc1ccccc1[O-])C2 ZINC000827284723 587375058 /nfs/dbraw/zinc/37/50/58/587375058.db2.gz VWWDKNPTSINGSL-JSGCOSHPSA-N 0 3 233.311 1.861 20 10 BDCDHN C[C@]12COC[C@@H]1C[N@@H+](Cc1ccccc1[O-])C2 ZINC000827284723 587375059 /nfs/dbraw/zinc/37/50/59/587375059.db2.gz VWWDKNPTSINGSL-JSGCOSHPSA-N 0 3 233.311 1.861 20 10 BDCDHN NC[C@@H]([NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000841028561 587936378 /nfs/dbraw/zinc/93/63/78/587936378.db2.gz PPROGUBVWFANLW-LLVKDONJSA-N 0 3 224.279 1.358 20 10 BDCDHN CC[C@H](N)C[NH2+]Cc1cc(Cl)ccc1[O-] ZINC000841070208 587942729 /nfs/dbraw/zinc/94/27/29/587942729.db2.gz MQNDACOYDJVLMZ-JTQLQIEISA-N 0 3 228.723 1.873 20 10 BDCDHN CC[C@H]([NH3+])CNCc1cc(Cl)ccc1[O-] ZINC000841070208 587942730 /nfs/dbraw/zinc/94/27/30/587942730.db2.gz MQNDACOYDJVLMZ-JTQLQIEISA-N 0 3 228.723 1.873 20 10 BDCDHN [O-]c1ccc(F)cc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841090405 587946031 /nfs/dbraw/zinc/94/60/31/587946031.db2.gz OQBGADUQGHAIPB-GFCCVEGCSA-N 0 3 238.306 1.763 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccccc1[O-] ZINC000841760660 587974351 /nfs/dbraw/zinc/97/43/51/587974351.db2.gz XOFGGIJJIBUVPN-BREBYQMCSA-N 0 3 221.300 1.956 20 10 BDCDHN CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000842912778 588071355 /nfs/dbraw/zinc/07/13/55/588071355.db2.gz WEQDVSWZTPHSTD-NQBHXWOUSA-N 0 3 249.310 1.383 20 10 BDCDHN CCOc1ccc(CN2CC[C@@H]([NH3+])C2)c([O-])c1 ZINC000843045554 588075847 /nfs/dbraw/zinc/07/58/47/588075847.db2.gz UXUVONKJKSFTFN-LLVKDONJSA-N 0 3 236.315 1.324 20 10 BDCDHN CCn1nncc1CN[C@H](C)c1ccccc1O ZINC000845990991 588252817 /nfs/dbraw/zinc/25/28/17/588252817.db2.gz SOKKUBYXECOXNG-SNVBAGLBSA-N 0 3 246.314 1.854 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H](CO)CCF)CC2 ZINC000846210319 588259803 /nfs/dbraw/zinc/25/98/03/588259803.db2.gz XZNCRZMAPNEVPG-MNOVXSKESA-N 0 3 239.290 1.690 20 10 BDCDHN C[C@H]([NH2+][C@@H](CO)CCF)c1ccccc1[O-] ZINC000846207676 588259885 /nfs/dbraw/zinc/25/98/85/588259885.db2.gz BCJSORLFVRDVDB-VHSXEESVSA-N 0 3 227.279 1.763 20 10 BDCDHN CCc1cccc(C[NH2+][C@H](CO)CCF)c1[O-] ZINC000848918723 588420715 /nfs/dbraw/zinc/42/07/15/588420715.db2.gz JNMCZADOOVPYEO-LBPRGKRZSA-N 0 3 241.306 1.765 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]C/C=C/CO)c1[O-] ZINC000850510217 588554502 /nfs/dbraw/zinc/55/45/02/588554502.db2.gz VZCLDENULHUBDD-FSIBCCDJSA-N 0 3 237.299 1.600 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CC2(CO)CC2)c1 ZINC000118906770 589204392 /nfs/dbraw/zinc/20/43/92/589204392.db2.gz AVTDHBGLNVEFFV-UHFFFAOYSA-N 0 3 221.300 1.563 20 10 BDCDHN C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])CN1 ZINC000863485160 589293417 /nfs/dbraw/zinc/29/34/17/589293417.db2.gz VOQLEKYPDSZJMO-MWLCHTKSSA-N 0 3 238.306 1.761 20 10 BDCDHN C[C@@H]1CC[C@@H](NCc2cccc(F)c2[O-])C[NH2+]1 ZINC000863485160 589293419 /nfs/dbraw/zinc/29/34/19/589293419.db2.gz VOQLEKYPDSZJMO-MWLCHTKSSA-N 0 3 238.306 1.761 20 10 BDCDHN COc1ccc(CNC(=[NH2+])N[C@@H]2C[C@H]2C)c([O-])c1 ZINC000864465427 589371067 /nfs/dbraw/zinc/37/10/67/589371067.db2.gz WJGUAGWULLINKN-LDYMZIIASA-N 0 3 249.314 1.423 20 10 BDCDHN C[C@@H](NC1CC1)C(=O)N[C@H](C)c1ccccc1O ZINC000870988614 589706736 /nfs/dbraw/zinc/70/67/36/589706736.db2.gz VATPWBINCHFODC-NXEZZACHSA-N 0 3 248.326 1.710 20 10 BDCDHN C[C@@H](NC(=O)[C@@H](N)C1CCC1)c1ccccc1O ZINC000870988562 589706908 /nfs/dbraw/zinc/70/69/08/589706908.db2.gz SNMSONWTUKBZNJ-RNCFNFMXSA-N 0 3 248.326 1.697 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)CC2 ZINC000872139329 589880376 /nfs/dbraw/zinc/88/03/76/589880376.db2.gz BSQITMFZXUSZIA-NTZNESFSSA-N 0 3 249.310 1.119 20 10 BDCDHN COc1cccc(C[NH2+]CC(C)(C)CO)c1[O-] ZINC000124324054 589976562 /nfs/dbraw/zinc/97/65/62/589976562.db2.gz SPNPVNWBBPDDCW-UHFFFAOYSA-N 0 3 239.315 1.509 20 10 BDCDHN Cc1cccc(C[NH2+]CCn2ccnc2)c1[O-] ZINC000124663350 590071176 /nfs/dbraw/zinc/07/11/76/590071176.db2.gz UTHQSMLBCOFCHY-UHFFFAOYSA-N 0 3 231.299 1.687 20 10 BDCDHN Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC000876509730 590205048 /nfs/dbraw/zinc/20/50/48/590205048.db2.gz HBHPYACLTUKSBM-LBPRGKRZSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[N@H+]2CCC[C@H](CO)C2)c([O-])c1 ZINC000876509730 590205049 /nfs/dbraw/zinc/20/50/49/590205049.db2.gz HBHPYACLTUKSBM-LBPRGKRZSA-N 0 3 235.327 1.905 20 10 BDCDHN Cc1ccc(C[NH2+]CCc2cnn(C)c2)c([O-])c1 ZINC000876955141 590260974 /nfs/dbraw/zinc/26/09/74/590260974.db2.gz SJPHQWIDQFLYKP-UHFFFAOYSA-N 0 3 245.326 1.766 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c([O-])c1 ZINC000876994116 590266123 /nfs/dbraw/zinc/26/61/23/590266123.db2.gz DFNVDOWTGBIHBE-LLVKDONJSA-N 0 3 234.299 1.021 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CCN(C)C1 ZINC000877019729 590269935 /nfs/dbraw/zinc/26/99/35/590269935.db2.gz QACMBRFMRGQSAU-LLVKDONJSA-N 0 3 220.316 1.494 20 10 BDCDHN COC[C@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877026280 590271053 /nfs/dbraw/zinc/27/10/53/590271053.db2.gz BMEQLRQNCMLZFI-CYBMUJFWSA-N 0 3 239.315 1.188 20 10 BDCDHN CC(C)CC[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC000877074761 590278218 /nfs/dbraw/zinc/27/82/18/590278218.db2.gz RYSHBTGMJGXSGP-ZDUSSCGKSA-N 0 3 249.358 1.995 20 10 BDCDHN Cc1ccc(C[NH2+]CCN2CCC2)c([O-])c1 ZINC000877113006 590287384 /nfs/dbraw/zinc/28/73/84/590287384.db2.gz XPUXBHPZTJLAAE-UHFFFAOYSA-N 0 3 220.316 1.496 20 10 BDCDHN Cc1ccc(C[NH2+][C@](C)(CO)C2CC2)c([O-])c1 ZINC000877159041 590294033 /nfs/dbraw/zinc/29/40/33/590294033.db2.gz REYSKXLKNXTSGX-CQSZACIVSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000877184003 590298388 /nfs/dbraw/zinc/29/83/88/590298388.db2.gz JYSGMWKGCRDJID-RYUDHWBXSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000877184003 590298389 /nfs/dbraw/zinc/29/83/89/590298389.db2.gz JYSGMWKGCRDJID-RYUDHWBXSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)C[S@](C)=O ZINC000877310523 590312267 /nfs/dbraw/zinc/31/22/67/590312267.db2.gz NQQGBSLUTOYRMO-HWPZZCPQSA-N 0 3 241.356 1.557 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c([O-])c1 ZINC000877430721 590326407 /nfs/dbraw/zinc/32/64/07/590326407.db2.gz POQAZVNFQOALQQ-STQMWFEESA-N 0 3 235.327 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000877433985 590327653 /nfs/dbraw/zinc/32/76/53/590327653.db2.gz LCLVUBDQFLSKHU-WCQYABFASA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000877433985 590327655 /nfs/dbraw/zinc/32/76/55/590327655.db2.gz LCLVUBDQFLSKHU-WCQYABFASA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000877545081 590353352 /nfs/dbraw/zinc/35/33/52/590353352.db2.gz GDLOQIRYVKWHOB-ITGUQSILSA-N 0 3 233.311 1.371 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000877545081 590353354 /nfs/dbraw/zinc/35/33/54/590353354.db2.gz GDLOQIRYVKWHOB-ITGUQSILSA-N 0 3 233.311 1.371 20 10 BDCDHN CC[C@H]([NH2+]Cc1ccc(C)cc1[O-])[C@H](C)O ZINC000877567832 590361550 /nfs/dbraw/zinc/36/15/50/590361550.db2.gz BUIQKSBWIALVJN-JQWIXIFHSA-N 0 3 223.316 1.950 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000877574659 590362703 /nfs/dbraw/zinc/36/27/03/590362703.db2.gz REZSSILBFQABBH-WDEREUQCSA-N 0 3 248.326 1.444 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2CCCNC2=O)c([O-])c1 ZINC000877586937 590368091 /nfs/dbraw/zinc/36/80/91/590368091.db2.gz YLATXURFIABTTC-GFCCVEGCSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1ccc(CNC2(C(=O)N(C)C)CC2)c(O)c1 ZINC000877588813 590369499 /nfs/dbraw/zinc/36/94/99/590369499.db2.gz ZBNHIQOXHAMERB-UHFFFAOYSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2CC[C@H]2O)c([O-])c1 ZINC000877597638 590371509 /nfs/dbraw/zinc/37/15/09/590371509.db2.gz SMCBGFONONNNRU-GHMZBOCLSA-N 0 3 207.273 1.314 20 10 BDCDHN CCn1nncc1CNCc1c(C)cccc1O ZINC000877648789 590383983 /nfs/dbraw/zinc/38/39/83/590383983.db2.gz VNWVTAPSFZWKQV-UHFFFAOYSA-N 0 3 246.314 1.602 20 10 BDCDHN CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2[O-])C1 ZINC000877646565 590384151 /nfs/dbraw/zinc/38/41/51/590384151.db2.gz JYOSWEROAJMCLT-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc(C[NH2+]CC[C@@H](O)C(F)F)c([O-])c1 ZINC000877676784 590389954 /nfs/dbraw/zinc/38/99/54/590389954.db2.gz GFTLMKVEJASKDW-SNVBAGLBSA-N 0 3 245.269 1.806 20 10 BDCDHN COC(=O)C1CC([NH2+]Cc2cccc(C)c2[O-])C1 ZINC000877721701 590401711 /nfs/dbraw/zinc/40/17/11/590401711.db2.gz ZERWDJJXOSCJLH-UHFFFAOYSA-N 0 3 249.310 1.742 20 10 BDCDHN C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1[O-] ZINC000134812063 591952273 /nfs/dbraw/zinc/95/22/73/591952273.db2.gz GJRWTRFGDASHGU-CDMKHQONSA-N 0 3 221.300 1.956 20 10 BDCDHN CN(C)c1ccc(CN2CC[C@@H]2CO)cc1 ZINC000934014716 631588262 /nfs/dbraw/zinc/58/82/62/631588262.db2.gz NZZMRLSJGGEPKB-CYBMUJFWSA-N 0 3 220.316 1.319 20 10 BDCDHN Cc1cc(CN2CC[C@@H]2CO)ccc1N(C)C ZINC000934019357 631618520 /nfs/dbraw/zinc/61/85/20/631618520.db2.gz PLOSJVAVOXURCI-CYBMUJFWSA-N 0 3 234.343 1.628 20 10 BDCDHN C[C@H](CN)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000309504504 632433147 /nfs/dbraw/zinc/43/31/47/632433147.db2.gz VOIKYISXMGILMJ-MRVPVSSYSA-N 0 3 228.723 1.825 20 10 BDCDHN C[C@H](CN)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000309504504 632433148 /nfs/dbraw/zinc/43/31/48/632433148.db2.gz VOIKYISXMGILMJ-MRVPVSSYSA-N 0 3 228.723 1.825 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)C1CC1 ZINC000309580577 632545593 /nfs/dbraw/zinc/54/55/93/632545593.db2.gz QFZIMLMKUJXIER-LLVKDONJSA-N 0 3 225.263 1.392 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783737984 633161400 /nfs/dbraw/zinc/16/14/00/633161400.db2.gz ASOILFOSERJYIN-GXFFZTMASA-N 0 3 237.274 1.346 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783737984 633161403 /nfs/dbraw/zinc/16/14/03/633161403.db2.gz ASOILFOSERJYIN-GXFFZTMASA-N 0 3 237.274 1.346 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](CO)CC1 ZINC000294100232 633752851 /nfs/dbraw/zinc/75/28/51/633752851.db2.gz RZZTZBIDJZAPRL-GFCCVEGCSA-N 0 3 235.327 1.987 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](CO)CC1 ZINC000294100232 633752855 /nfs/dbraw/zinc/75/28/55/633752855.db2.gz RZZTZBIDJZAPRL-GFCCVEGCSA-N 0 3 235.327 1.987 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C1CC(CCO)C1 ZINC000898010129 636851312 /nfs/dbraw/zinc/85/13/12/636851312.db2.gz GBJDIDIZRNMYCS-UHFFFAOYSA-N 0 3 235.327 1.951 20 10 BDCDHN C[NH2+][C@@H]1CCN(Cc2c([O-])cccc2Cl)C1 ZINC000150075301 639299049 /nfs/dbraw/zinc/29/90/49/639299049.db2.gz PKILYXKCDGUNCD-SECBINFHSA-N 0 3 240.734 1.839 20 10 BDCDHN COc1ccc(O)c(CNCc2cnn(C)c2)c1 ZINC000041158949 641542423 /nfs/dbraw/zinc/54/24/23/641542423.db2.gz RZTUCQHYYPDEOU-UHFFFAOYSA-N 0 3 247.298 1.424 20 10 BDCDHN COc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)c([O-])c1 ZINC000189109030 641787114 /nfs/dbraw/zinc/78/71/14/641787114.db2.gz PRSUEIAYVYYFIK-VHSXEESVSA-N 0 3 239.315 1.914 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000082687294 643365319 /nfs/dbraw/zinc/36/53/19/643365319.db2.gz FWEFARZWUHVWMA-UHFFFAOYSA-N 0 3 221.300 1.787 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c([O-])c1 ZINC000079926269 644217936 /nfs/dbraw/zinc/21/79/36/644217936.db2.gz DTOOHDBWWZTLGN-MNOVXSKESA-N 0 3 248.326 1.630 20 10 BDCDHN CC[C@H](N)C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817980963 644994064 /nfs/dbraw/zinc/99/40/64/644994064.db2.gz YOMMZIUDLFVWSL-WPRPVWTQSA-N 0 3 226.295 1.919 20 10 BDCDHN CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1[O-] ZINC000846046965 645392136 /nfs/dbraw/zinc/39/21/36/645392136.db2.gz RBUYHCYPMCUARF-UMNHJUIQSA-N 0 3 248.326 1.697 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+][C@H](CO)CCF ZINC000846097095 645405238 /nfs/dbraw/zinc/40/52/38/645405238.db2.gz DNBFWFRWSDIUOO-JTQLQIEISA-N 0 3 231.242 1.341 20 10 BDCDHN C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1[O-] ZINC000925783629 646479677 /nfs/dbraw/zinc/47/96/77/646479677.db2.gz KKGWIGRNWGVECJ-VDDIYKPWSA-N 0 3 238.306 1.790 20 10 BDCDHN CC[C@H](N[C@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925868526 646519408 /nfs/dbraw/zinc/51/94/08/646519408.db2.gz RFBKZLREBVCEEA-JSGCOSHPSA-N 0 3 249.358 1.697 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720894750 712876939 /nfs/dbraw/zinc/87/69/39/712876939.db2.gz YBLFTQAIQBTAMX-JLIMDTESSA-N 0 3 225.263 1.392 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C1COCCOC1 ZINC000383684119 710602582 /nfs/dbraw/zinc/60/25/82/710602582.db2.gz RMSLGCLNNBXSQL-UHFFFAOYSA-N 0 3 241.262 1.036 20 10 BDCDHN CCCN(CC(N)=O)Cc1cc(C)ccc1O ZINC000383607658 710985093 /nfs/dbraw/zinc/98/50/93/710985093.db2.gz RVXSEBMAAJUORA-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN CC[C@@H]([NH2+]Cc1ccccc1[O-])[C@@H](C)O ZINC000395372180 711208133 /nfs/dbraw/zinc/20/81/33/711208133.db2.gz VAVRPNFYCPEUKL-MWLCHTKSSA-N 0 3 209.289 1.641 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCNC(=O)CC1)c1ccccc1[O-] ZINC000396670727 711365176 /nfs/dbraw/zinc/36/51/76/711365176.db2.gz YNNYPGLOUXRISB-WDEREUQCSA-N 0 3 248.326 1.712 20 10 BDCDHN C[C@@H](NCc1cn[nH]n1)c1ccccc1O ZINC000398319860 711407836 /nfs/dbraw/zinc/40/78/36/711407836.db2.gz YSHHTVNQAXGNTJ-MRVPVSSYSA-N 0 3 218.260 1.361 20 10 BDCDHN C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccccc1[O-] ZINC000710863119 712260308 /nfs/dbraw/zinc/26/03/08/712260308.db2.gz UAGPAMFQYRYTEK-UFGOTCBOSA-N 0 3 237.299 1.193 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccccc1[O-] ZINC000712537139 712442594 /nfs/dbraw/zinc/44/25/94/712442594.db2.gz AMQNDKUIEYUIMF-QWRGUYRKSA-N 0 3 220.316 1.747 20 10 BDCDHN C[C@@H](N[C@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000037261361 712560692 /nfs/dbraw/zinc/56/06/92/712560692.db2.gz BWNVFQBCNIUVPK-NXEZZACHSA-N 0 3 235.331 1.277 20 10 BDCDHN NC(=O)CC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000718426885 712760468 /nfs/dbraw/zinc/76/04/68/712760468.db2.gz YSWCBUUCLXSEMT-UHFFFAOYSA-N 0 3 234.299 1.136 20 10 BDCDHN C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(O)cc1[O-] ZINC001204276109 966951565 /nfs/dbraw/zinc/95/15/65/966951565.db2.gz GZEVJTWVKAFJHS-LDYMZIIASA-N 0 3 223.272 1.053 20 10 BDCDHN C[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccc(O)cc1[O-] ZINC001204276109 966951571 /nfs/dbraw/zinc/95/15/71/966951571.db2.gz GZEVJTWVKAFJHS-LDYMZIIASA-N 0 3 223.272 1.053 20 10 BDCDHN CC[C@@H](C(=O)NCc1ccc(N)cc1)N(C)C ZINC001343474856 980122502 /nfs/dbraw/zinc/12/25/02/980122502.db2.gz ZQZLUPXDFXEWCB-LBPRGKRZSA-N 0 3 235.331 1.225 20 10 BDCDHN C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1[O-] ZINC000390602636 972373315 /nfs/dbraw/zinc/37/33/15/972373315.db2.gz WQAPTGINQRMYQW-KWQFWETISA-N 0 3 240.734 1.967 20 10 BDCDHN Cc1c(O)ccc(CN2CC3(C2)CCOC3)c1O ZINC001140741846 960543560 /nfs/dbraw/zinc/54/35/60/960543560.db2.gz DPVQPKVCRSSDNP-UHFFFAOYSA-N 0 3 249.310 1.629 20 10 BDCDHN CC1CN(Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140060 960887454 /nfs/dbraw/zinc/88/74/54/960887454.db2.gz HUJRADVSVQFQSZ-UHFFFAOYSA-N 0 3 232.327 1.967 20 10 BDCDHN Oc1ccc(O)c(CN2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001141156256 960889874 /nfs/dbraw/zinc/88/98/74/960889874.db2.gz IQZCOYTYWVQBOE-PWSUYJOCSA-N 0 3 241.262 1.003 20 10 BDCDHN CC(=O)[C@H]1CCN(Cc2cc(O)ccc2O)C1 ZINC001141162598 960898473 /nfs/dbraw/zinc/89/84/73/960898473.db2.gz WUGMZMGYIWQBQN-JTQLQIEISA-N 0 3 235.283 1.509 20 10 BDCDHN COC[C@@H]1CCN1Cc1cc(O)ccc1O ZINC001141162986 960905117 /nfs/dbraw/zinc/90/51/17/960905117.db2.gz NLCKOPAJFNDFSX-JTQLQIEISA-N 0 3 223.272 1.319 20 10 BDCDHN C[C@H]1C[C@H]([NH2+]Cc2ccccc2[O-])CO1 ZINC000401968300 961688471 /nfs/dbraw/zinc/68/84/71/961688471.db2.gz IBLUXNBKZIKOMC-ONGXEEELSA-N 0 3 207.273 1.659 20 10 BDCDHN C[C@H]1CCC[N@H+](Cc2ccccc2[O-])[C@@H]1CO ZINC001203549901 966673120 /nfs/dbraw/zinc/67/31/20/966673120.db2.gz BWQMQDVNVRMICU-WCQYABFASA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1CCC[N@@H+](Cc2ccccc2[O-])[C@@H]1CO ZINC001203549901 966673128 /nfs/dbraw/zinc/67/31/28/966673128.db2.gz BWQMQDVNVRMICU-WCQYABFASA-N 0 3 235.327 1.985 20 10 BDCDHN CC(=O)[C@@H]1CCCN1Cc1ccccc1O ZINC001203562557 966692839 /nfs/dbraw/zinc/69/28/39/966692839.db2.gz LOWWNBTZJCVYPV-LBPRGKRZSA-N 0 3 219.284 1.946 20 10 BDCDHN COc1ccc(C[NH+]2CC(C3COC3)C2)c([O-])c1 ZINC001203620975 966709663 /nfs/dbraw/zinc/70/96/63/966709663.db2.gz LUULWRWZIAVTOS-UHFFFAOYSA-N 0 3 249.310 1.479 20 10 BDCDHN COc1ccc(CN2CC3(C2)CCOC3)c(O)c1 ZINC001203621523 966711330 /nfs/dbraw/zinc/71/13/30/966711330.db2.gz WRTKPQYBFZCPMM-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1ccc(C[NH+]2CC3(C2)CCOC3)c([O-])c1 ZINC001203621523 966711339 /nfs/dbraw/zinc/71/13/39/966711339.db2.gz WRTKPQYBFZCPMM-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001203621502 966711758 /nfs/dbraw/zinc/71/17/58/966711758.db2.gz WLAGSEOAEPAUBE-MWLCHTKSSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c([O-])c1 ZINC001203621502 966711765 /nfs/dbraw/zinc/71/17/65/966711765.db2.gz WLAGSEOAEPAUBE-MWLCHTKSSA-N 0 3 237.299 1.356 20 10 BDCDHN COCC[N@H+](Cc1ccc(O)cc1[O-])C(C)C ZINC001204274701 966949796 /nfs/dbraw/zinc/94/97/96/966949796.db2.gz GSRKQNTVEWMWPD-UHFFFAOYSA-N 0 3 239.315 1.955 20 10 BDCDHN COCC[N@@H+](Cc1ccc(O)cc1[O-])C(C)C ZINC001204274701 966949799 /nfs/dbraw/zinc/94/97/99/966949799.db2.gz GSRKQNTVEWMWPD-UHFFFAOYSA-N 0 3 239.315 1.955 20 10 BDCDHN C[C@@H]1C[N@H+](Cc2ccc(O)cc2[O-])CC[C@@H]1O ZINC001204276098 966953535 /nfs/dbraw/zinc/95/35/35/966953535.db2.gz GLLFPMKIAKDNBR-SKDRFNHKSA-N 0 3 237.299 1.301 20 10 BDCDHN C[C@@H]1C[N@@H+](Cc2ccc(O)cc2[O-])CC[C@@H]1O ZINC001204276098 966953543 /nfs/dbraw/zinc/95/35/43/966953543.db2.gz GLLFPMKIAKDNBR-SKDRFNHKSA-N 0 3 237.299 1.301 20 10 BDCDHN [O-]c1cc(O)ccc1C[NH+]1CCC(CO)CC1 ZINC001204276546 966958511 /nfs/dbraw/zinc/95/85/11/966958511.db2.gz MOVCKTXFHDVJMS-UHFFFAOYSA-N 0 3 237.299 1.302 20 10 BDCDHN CC1=NO[C@@H](C[NH2+]Cc2cc(F)ccc2[O-])C1 ZINC000826567401 968669361 /nfs/dbraw/zinc/66/93/61/968669361.db2.gz XVIHQRWAUVPTKB-LLVKDONJSA-N 0 3 238.262 1.786 20 10 BDCDHN NCc1cc(NCc2ccc(O)c(O)c2)ccn1 ZINC001169995252 969973916 /nfs/dbraw/zinc/97/39/16/969973916.db2.gz WADWUXBPXMRTAS-UHFFFAOYSA-N 0 3 245.282 1.564 20 10 BDCDHN COc1ccc(C[N@H+](C)C2CC2)c([O-])c1 ZINC000179305932 970504418 /nfs/dbraw/zinc/50/44/18/970504418.db2.gz HSORMKIUYUAJGZ-UHFFFAOYSA-N 0 3 207.273 1.995 20 10 BDCDHN COc1ccc(C[N@@H+](C)C2CC2)c([O-])c1 ZINC000179305932 970504425 /nfs/dbraw/zinc/50/44/25/970504425.db2.gz HSORMKIUYUAJGZ-UHFFFAOYSA-N 0 3 207.273 1.995 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC000180199915 970532287 /nfs/dbraw/zinc/53/22/87/970532287.db2.gz WCZNXIUVCITQLU-CYBMUJFWSA-N 0 3 237.299 1.358 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@@](C)(O)C2)c([O-])c1 ZINC000180199915 970532311 /nfs/dbraw/zinc/53/23/11/970532311.db2.gz WCZNXIUVCITQLU-CYBMUJFWSA-N 0 3 237.299 1.358 20 10 BDCDHN Cc1ccc(O)c2c1[C@H](C)C[C@H]2N[C@@H]1CNOC1 ZINC001332880544 975306367 /nfs/dbraw/zinc/30/63/67/975306367.db2.gz WWBASPXVIQSLDM-GMTAPVOTSA-N 0 3 248.326 1.742 20 10 BDCDHN Cc1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)c([O-])c1 ZINC001277567835 977752480 /nfs/dbraw/zinc/75/24/80/977752480.db2.gz IFQVZYIKWZTKPR-UHFFFAOYSA-N 0 3 246.310 1.198 20 10 BDCDHN Cc1ccc(CN2CC3(C[C@H]3C(N)=O)C2)c(O)c1 ZINC001277569503 977757591 /nfs/dbraw/zinc/75/75/91/977757591.db2.gz ZRUWECKPEOXOIC-NSHDSACASA-N 0 3 246.310 1.008 20 10 BDCDHN Oc1cc(O)c(CN2CCC(F)CC2)cc1O ZINC001233483222 978610722 /nfs/dbraw/zinc/61/07/22/978610722.db2.gz RCPDURGKRMAZKP-UHFFFAOYSA-N 0 3 241.262 1.737 20 10 BDCDHN CCc1ccc(CN2CC(N(C)C)C2)c(O)c1 ZINC001236784679 979724066 /nfs/dbraw/zinc/72/40/66/979724066.db2.gz YIICXDCPHVPVJM-UHFFFAOYSA-N 0 3 234.343 1.700 20 10 BDCDHN CCc1ccc(CN2CCC[C@H]2C(N)=O)c(O)c1 ZINC001236781517 979725037 /nfs/dbraw/zinc/72/50/37/979725037.db2.gz FFTZQIMOCFSJEN-LBPRGKRZSA-N 0 3 248.326 1.404 20 10 BDCDHN Nc1ccc(CNC(=O)[C@@H](N)CC2CC2)cc1 ZINC001342699420 979870815 /nfs/dbraw/zinc/87/08/15/979870815.db2.gz LUGIABRJXUAANQ-LBPRGKRZSA-N 0 3 233.315 1.012 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001237485802 979911812 /nfs/dbraw/zinc/91/18/12/979911812.db2.gz TVTCVEHYXUZTLQ-JQWIXIFHSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@@H](C)C[C@H]1CO ZINC001237485802 979911821 /nfs/dbraw/zinc/91/18/21/979911821.db2.gz TVTCVEHYXUZTLQ-JQWIXIFHSA-N 0 3 235.327 1.903 20 10 BDCDHN CN(Cc1cnc[nH]1)Cc1ccc(N)cc1 ZINC001356083548 983571131 /nfs/dbraw/zinc/57/11/31/983571131.db2.gz SDZZHZKEWQZYQL-UHFFFAOYSA-N 0 3 216.288 1.624 20 10 BDCDHN Cc1nn(C)c(C)c1CNCc1ccc(N)cc1 ZINC001356083487 983571667 /nfs/dbraw/zinc/57/16/67/983571667.db2.gz PIZOOTFAJXFZHK-UHFFFAOYSA-N 0 3 244.342 1.909 20 10 BDCDHN CCN[C@H](C)C[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001577887091 984814472 /nfs/dbraw/zinc/81/44/72/984814472.db2.gz IFWRBUZABSKFPO-MRVPVSSYSA-N 0 3 244.285 1.758 20 10 BDCDHN CC[N@H+](CCO)Cc1c(C)cc(OC)cc1[O-] ZINC001462017522 986262534 /nfs/dbraw/zinc/26/25/34/986262534.db2.gz VADOSOCBUSLHCK-UHFFFAOYSA-N 0 3 239.315 1.523 20 10 BDCDHN CC[N@@H+](CCO)Cc1c(C)cc(OC)cc1[O-] ZINC001462017522 986262550 /nfs/dbraw/zinc/26/25/50/986262550.db2.gz VADOSOCBUSLHCK-UHFFFAOYSA-N 0 3 239.315 1.523 20 10 BDCDHN COc1cc(C)c(CNCCF)c(O)c1 ZINC001462168445 986302383 /nfs/dbraw/zinc/30/23/83/986302383.db2.gz GSHYSPOHNJIBHD-UHFFFAOYSA-N 0 3 213.252 1.768 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001462203786 986315093 /nfs/dbraw/zinc/31/50/93/986315093.db2.gz YANIUUQRYWXAEB-SMDDNHRTSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](O)C2)c([O-])c1 ZINC001462203786 986315107 /nfs/dbraw/zinc/31/51/07/986315107.db2.gz YANIUUQRYWXAEB-SMDDNHRTSA-N 0 3 235.327 1.903 20 10 BDCDHN CN(Cc1ccccc1O)C(=O)Cc1c[nH]cn1 ZINC001137345640 986815215 /nfs/dbraw/zinc/81/52/15/986815215.db2.gz QIBQACILMPDYOK-UHFFFAOYSA-N 0 3 245.282 1.316 20 10 BDCDHN CN(C)C1(C[NH2+]Cc2ccccc2[O-])CC1 ZINC000397767804 986999174 /nfs/dbraw/zinc/99/91/74/986999174.db2.gz KORNDMSJNNSVFL-UHFFFAOYSA-N 0 3 220.316 1.576 20 10 BDCDHN COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC001116771991 987704238 /nfs/dbraw/zinc/70/42/38/987704238.db2.gz XUMFJJQFVQDQKZ-RYUDHWBXSA-N 0 3 249.310 1.824 20 10 BDCDHN Nc1ccc(CN2CC[C@H](n3cncn3)C2)cc1 ZINC001120268175 989621773 /nfs/dbraw/zinc/62/17/73/989621773.db2.gz BDDUVSMCFJYLSM-ZDUSSCGKSA-N 0 3 243.314 1.307 20 10 BDCDHN CC[C@H](C)C[C@H](N)C(=O)N(C)c1ccc(N)cc1 ZINC001122172275 990276457 /nfs/dbraw/zinc/27/64/57/990276457.db2.gz BLIHYHPTGDYKMA-GWCFXTLKSA-N 0 3 249.358 1.995 20 10 BDCDHN CN(Cc1c([O-])cccc1F)[C@@H]1CC[N@H+](C)C1 ZINC001137837569 990855981 /nfs/dbraw/zinc/85/59/81/990855981.db2.gz MDCSMIMPRPBZNF-SNVBAGLBSA-N 0 3 238.306 1.667 20 10 BDCDHN CN(Cc1c([O-])cccc1F)[C@@H]1CC[N@@H+](C)C1 ZINC001137837569 990855984 /nfs/dbraw/zinc/85/59/84/990855984.db2.gz MDCSMIMPRPBZNF-SNVBAGLBSA-N 0 3 238.306 1.667 20 10 BDCDHN CCN1CC[C@@H]([NH2+]Cc2cccc(O)c2[O-])C1 ZINC000389147132 993740316 /nfs/dbraw/zinc/74/03/16/993740316.db2.gz IMUGQMJCRFNXAC-LLVKDONJSA-N 0 3 236.315 1.282 20 10 BDCDHN Cc1cc([O-])c(C[N@H+](CCO)C2CC2)cc1C ZINC000271079218 178194924 /nfs/dbraw/zinc/19/49/24/178194924.db2.gz QEHMFXPSJNDUOD-UHFFFAOYSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+](CCO)C2CC2)cc1C ZINC000271079218 178194928 /nfs/dbraw/zinc/19/49/28/178194928.db2.gz QEHMFXPSJNDUOD-UHFFFAOYSA-N 0 3 235.327 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1C ZINC000373515313 178195013 /nfs/dbraw/zinc/19/50/13/178195013.db2.gz JWXYCRQVNOBYGT-CQSZACIVSA-N 0 3 247.338 1.966 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H](O)C3(CC3)C2)cc1C ZINC000373515313 178195017 /nfs/dbraw/zinc/19/50/17/178195017.db2.gz JWXYCRQVNOBYGT-CQSZACIVSA-N 0 3 247.338 1.966 20 10 BDCDHN CCOc1cccc(C[NH2+]CCCO)c1[O-] ZINC000020187968 342975160 /nfs/dbraw/zinc/97/51/60/342975160.db2.gz WAGABYNOQJLGLK-UHFFFAOYSA-N 0 3 225.288 1.263 20 10 BDCDHN CCOc1cccc(C[NH2+][C@@H](CC)CO)c1[O-] ZINC000020195031 342975705 /nfs/dbraw/zinc/97/57/05/342975705.db2.gz ISLXXYOOFICIMX-NSHDSACASA-N 0 3 239.315 1.651 20 10 BDCDHN CC[C@H]([NH2+]CCCO)c1ccccc1[O-] ZINC000020188187 342975715 /nfs/dbraw/zinc/97/57/15/342975715.db2.gz UXMDTNUBKYZNRL-NSHDSACASA-N 0 3 209.289 1.815 20 10 BDCDHN CCOc1cccc(C[NH2+]C(C)(C)CO)c1[O-] ZINC000020196437 342976258 /nfs/dbraw/zinc/97/62/58/342976258.db2.gz OJTVHVIVLBICLX-UHFFFAOYSA-N 0 3 239.315 1.651 20 10 BDCDHN C[C@H](C[NH2+]Cc1ccccc1[O-])N(C)C ZINC000038088757 343060721 /nfs/dbraw/zinc/06/07/21/343060721.db2.gz IMETWNOLLUKPIG-SNVBAGLBSA-N 0 3 208.305 1.432 20 10 BDCDHN COc1cccc(C[N@@H+]2CC[C@H](CO)C2)c1[O-] ZINC000092764288 343784872 /nfs/dbraw/zinc/78/48/72/343784872.db2.gz XYEWNBROQCPQAN-JTQLQIEISA-N 0 3 237.299 1.215 20 10 BDCDHN COc1cccc(C[N@H+]2CC[C@H](CO)C2)c1[O-] ZINC000092764288 343784875 /nfs/dbraw/zinc/78/48/75/343784875.db2.gz XYEWNBROQCPQAN-JTQLQIEISA-N 0 3 237.299 1.215 20 10 BDCDHN Cc1ccc(O)c(CN2CCN(C)CC2)c1 ZINC000034217515 178792149 /nfs/dbraw/zinc/79/21/49/178792149.db2.gz IGQYWSPZTBDXQL-UHFFFAOYSA-N 0 3 220.316 1.448 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@H]2CCCN2C)c1[O-] ZINC000224569607 179093525 /nfs/dbraw/zinc/09/35/25/179093525.db2.gz SEGHZEJGPAPJNX-CYBMUJFWSA-N 0 3 234.343 1.884 20 10 BDCDHN CC[N@H+](Cc1ccccc1[O-])[C@H](C)CO ZINC000292680046 352326778 /nfs/dbraw/zinc/32/67/78/352326778.db2.gz APZYSPPQZJMINS-SNVBAGLBSA-N 0 3 209.289 1.595 20 10 BDCDHN CC[N@@H+](Cc1ccccc1[O-])[C@H](C)CO ZINC000292680046 352326779 /nfs/dbraw/zinc/32/67/79/352326779.db2.gz APZYSPPQZJMINS-SNVBAGLBSA-N 0 3 209.289 1.595 20 10 BDCDHN CC(C)(C[NH2+][C@@H]1CCc2cccc([O-])c21)C(N)=O ZINC000296766397 364784871 /nfs/dbraw/zinc/78/48/71/364784871.db2.gz KIAICKZQGBIELF-SNVBAGLBSA-N 0 3 248.326 1.481 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CC[C@@H](CO)C1 ZINC000180026209 183122271 /nfs/dbraw/zinc/12/22/71/183122271.db2.gz HKOQCUSWJFARRP-SECBINFHSA-N 0 3 225.263 1.346 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000180026209 183122273 /nfs/dbraw/zinc/12/22/73/183122273.db2.gz HKOQCUSWJFARRP-SECBINFHSA-N 0 3 225.263 1.346 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367690579 183275277 /nfs/dbraw/zinc/27/52/77/183275277.db2.gz UDXJULPDFHQTLL-CNDDSTCGSA-N 0 3 237.274 1.513 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCN1CCCC1 ZINC000226619007 183275282 /nfs/dbraw/zinc/27/52/82/183275282.db2.gz KASQBCITNCAPSE-UHFFFAOYSA-N 0 3 238.306 1.717 20 10 BDCDHN [O-]c1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000179556013 183301998 /nfs/dbraw/zinc/30/19/98/183301998.db2.gz JVLOWZXCXMJLSC-UHFFFAOYSA-N 0 3 249.310 1.731 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCSC1 ZINC000076642625 183303056 /nfs/dbraw/zinc/30/30/56/183303056.db2.gz BRWWFGWLMVPDPZ-JTQLQIEISA-N 0 3 209.314 1.987 20 10 BDCDHN C[C@H](CF)[NH2+]Cc1cc(F)ccc1[O-] ZINC000290264107 383889294 /nfs/dbraw/zinc/88/92/94/383889294.db2.gz XAXKHBPALMUODW-SSDOTTSWSA-N 0 3 201.216 1.979 20 10 BDCDHN C[C@@H](CF)[NH2+]Cc1cc(F)ccc1[O-] ZINC000290264108 383889448 /nfs/dbraw/zinc/88/94/48/383889448.db2.gz XAXKHBPALMUODW-ZETCQYMHSA-N 0 3 201.216 1.979 20 10 BDCDHN CCOCC[NH2+]Cc1cccc(OCC)c1[O-] ZINC000036229022 383890455 /nfs/dbraw/zinc/89/04/55/383890455.db2.gz WNJIBRBPGYDLMW-UHFFFAOYSA-N 0 3 239.315 1.917 20 10 BDCDHN CCN(CC)c1ccc(CNCC(=O)NC)cc1 ZINC000037207218 383956819 /nfs/dbraw/zinc/95/68/19/383956819.db2.gz SAITUMDKOGEVJE-UHFFFAOYSA-N 0 3 249.358 1.368 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C[C@H]2CCCN2C)c1 ZINC000113328537 383977366 /nfs/dbraw/zinc/97/73/66/383977366.db2.gz AKXSCKCBUKFUPR-CYBMUJFWSA-N 0 3 234.343 1.884 20 10 BDCDHN COC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1[O-] ZINC000070589892 384122143 /nfs/dbraw/zinc/12/21/43/384122143.db2.gz GCLLXKUDJSCVBT-UWVGGRQHSA-N 0 3 225.288 1.050 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]CCN2CCCC2)c1 ZINC000071406421 384165145 /nfs/dbraw/zinc/16/51/45/384165145.db2.gz CTXRPAJLBDAIMH-UHFFFAOYSA-N 0 3 234.343 1.886 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000092764595 384192792 /nfs/dbraw/zinc/19/27/92/384192792.db2.gz VEQYQCRGMKYXLI-NSHDSACASA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000092764595 384192795 /nfs/dbraw/zinc/19/27/95/384192795.db2.gz VEQYQCRGMKYXLI-NSHDSACASA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)O)c([O-])c1 ZINC000035601539 384411507 /nfs/dbraw/zinc/41/15/07/384411507.db2.gz YPIMBHDITIXSNT-NXEZZACHSA-N 0 3 209.289 1.732 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1[O-] ZINC000020195331 384591672 /nfs/dbraw/zinc/59/16/72/384591672.db2.gz MBOKSNBRCAFLER-UWVGGRQHSA-N 0 3 239.315 1.822 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H](C)C[S@@](C)=O)c1 ZINC000164301378 384957669 /nfs/dbraw/zinc/95/76/69/384957669.db2.gz VZIPTOJJZANOFJ-QFYYESIMSA-N 0 3 241.356 1.557 20 10 BDCDHN C[C@H](O)CCC[NH2+]Cc1ccccc1[O-] ZINC000227959718 385297819 /nfs/dbraw/zinc/29/78/19/385297819.db2.gz NPCVAJAHXXVEAQ-JTQLQIEISA-N 0 3 209.289 1.643 20 10 BDCDHN C[C@H]([NH2+]CCCCO)c1cc(F)ccc1[O-] ZINC000193283028 385390643 /nfs/dbraw/zinc/39/06/43/385390643.db2.gz IXVNBAXJYLILRD-VIFPVBQESA-N 0 3 227.279 1.954 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273564588 385856747 /nfs/dbraw/zinc/85/67/47/385856747.db2.gz JCVRFFBKBLRGON-WDEREUQCSA-N 0 3 248.326 1.582 20 10 BDCDHN CC(C)[C@@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000283832480 385834800 /nfs/dbraw/zinc/83/48/00/385834800.db2.gz GXRBRWHLHUNUCY-ZDUSSCGKSA-N 0 3 223.316 1.841 20 10 BDCDHN CC(C)[C@@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000283832480 385834806 /nfs/dbraw/zinc/83/48/06/385834806.db2.gz GXRBRWHLHUNUCY-ZDUSSCGKSA-N 0 3 223.316 1.841 20 10 BDCDHN CC(C)[C@H](O)C[N@H+](C)Cc1ccccc1[O-] ZINC000283832455 385835389 /nfs/dbraw/zinc/83/53/89/385835389.db2.gz GXRBRWHLHUNUCY-CYBMUJFWSA-N 0 3 223.316 1.841 20 10 BDCDHN CC(C)[C@H](O)C[N@@H+](C)Cc1ccccc1[O-] ZINC000283832455 385835393 /nfs/dbraw/zinc/83/53/93/385835393.db2.gz GXRBRWHLHUNUCY-CYBMUJFWSA-N 0 3 223.316 1.841 20 10 BDCDHN C[C@@H](C[NH2+]Cc1cc(F)ccc1[O-])N(C)C ZINC000226619571 386346627 /nfs/dbraw/zinc/34/66/27/386346627.db2.gz DJMXUNIXBOLXHS-VIFPVBQESA-N 0 3 226.295 1.571 20 10 BDCDHN C[C@](O)(C[NH2+]Cc1ccccc1[O-])c1ccco1 ZINC000266141049 386402745 /nfs/dbraw/zinc/40/27/45/386402745.db2.gz HECCGBIFXHXCAW-AWEZNQCLSA-N 0 3 247.294 1.983 20 10 BDCDHN C[C@@H](CC(N)=O)NCc1ccc(N(C)C)cc1 ZINC000122783611 386520070 /nfs/dbraw/zinc/52/00/70/386520070.db2.gz XFCSOBBTVUPZIU-JTQLQIEISA-N 0 3 235.331 1.106 20 10 BDCDHN CC[C@@H](CO)[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296224280 386712374 /nfs/dbraw/zinc/71/23/74/386712374.db2.gz ZXIAQPFFUPNMQR-WDEREUQCSA-N 0 3 221.300 1.740 20 10 BDCDHN COC[C@@H]1CCN1Cc1cc(F)ccc1O ZINC000293749378 386871465 /nfs/dbraw/zinc/87/14/65/386871465.db2.gz WPXABYQLDFKOAZ-NSHDSACASA-N 0 3 225.263 1.752 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000264977738 387357063 /nfs/dbraw/zinc/35/70/63/387357063.db2.gz SWVHMRQKIXUGLI-NSHDSACASA-N 0 3 234.299 1.021 20 10 BDCDHN Cc1ccc(O)c(CN[C@H]2CC(=O)N(C)C2)c1 ZINC000264977738 387357066 /nfs/dbraw/zinc/35/70/66/387357066.db2.gz SWVHMRQKIXUGLI-NSHDSACASA-N 0 3 234.299 1.021 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000077900076 387917216 /nfs/dbraw/zinc/91/72/16/387917216.db2.gz WNSVWDFWZLIPMU-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN COC[C@H](O)CC[NH2+]Cc1cccc(C)c1[O-] ZINC000224933010 387941569 /nfs/dbraw/zinc/94/15/69/387941569.db2.gz BWHUPOHPEJYIIJ-GFCCVEGCSA-N 0 3 239.315 1.188 20 10 BDCDHN CN(C)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000296126482 388418141 /nfs/dbraw/zinc/41/81/41/388418141.db2.gz VPBFAMLFJOBPJI-GFCCVEGCSA-N 0 3 234.343 1.921 20 10 BDCDHN CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(F)ccc1[O-] ZINC000189967872 168008390 /nfs/dbraw/zinc/00/83/90/168008390.db2.gz RISCGNHGUPMMPW-VXGBXAGGSA-N 0 3 239.290 1.780 20 10 BDCDHN CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000036795283 170087903 /nfs/dbraw/zinc/08/79/03/170087903.db2.gz XTLQJXHIAIUBPV-VHSXEESVSA-N 0 3 236.315 1.567 20 10 BDCDHN CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1[O-] ZINC000036794753 170088221 /nfs/dbraw/zinc/08/82/21/170088221.db2.gz FNGYXNZCTHFGAR-SECBINFHSA-N 0 3 222.288 1.006 20 10 BDCDHN CCOCCC[NH2+]Cc1ccccc1[O-] ZINC000019962880 170381787 /nfs/dbraw/zinc/38/17/87/170381787.db2.gz UUQOHHOURDGAKD-UHFFFAOYSA-N 0 3 209.289 1.908 20 10 BDCDHN CN(C)C(=O)CC[NH2+]Cc1cc(F)ccc1[O-] ZINC000226588152 172359916 /nfs/dbraw/zinc/35/99/16/172359916.db2.gz NIFGXCAUNJEUJH-UHFFFAOYSA-N 0 3 240.278 1.099 20 10 BDCDHN CN1CC[C@@H]2CC[N@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000272699122 173132955 /nfs/dbraw/zinc/13/29/55/173132955.db2.gz YGCJJBYKJFOWPC-TZMCWYRMSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@@H]2CC[N@@H+](Cc3ccccc3[O-])[C@@H]2C1 ZINC000272699122 173132956 /nfs/dbraw/zinc/13/29/56/173132956.db2.gz YGCJJBYKJFOWPC-TZMCWYRMSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@H]2CC[N@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000378499292 173160660 /nfs/dbraw/zinc/16/06/60/173160660.db2.gz PPJOURGSIRUZTE-GXTWGEPZSA-N 0 3 246.354 1.918 20 10 BDCDHN CN1CC[C@H]2CC[N@@H+](Cc3ccccc3[O-])C[C@H]21 ZINC000378499292 173160663 /nfs/dbraw/zinc/16/06/63/173160663.db2.gz PPJOURGSIRUZTE-GXTWGEPZSA-N 0 3 246.354 1.918 20 10 BDCDHN CNC(=O)CCC[NH2+][C@@H]1CCc2cccc([O-])c21 ZINC000297589313 173242315 /nfs/dbraw/zinc/24/23/15/173242315.db2.gz HOEPDKUFLZIJQC-LLVKDONJSA-N 0 3 248.326 1.495 20 10 BDCDHN CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1[O-] ZINC000042560266 173303307 /nfs/dbraw/zinc/30/33/07/173303307.db2.gz OTWYEEWJIQQPFP-IUCAKERBSA-N 0 3 222.288 1.177 20 10 BDCDHN CNC(=O)[C@H]1CCCN1Cc1cc(C)ccc1O ZINC000133591926 173306936 /nfs/dbraw/zinc/30/69/36/173306936.db2.gz PYGOEHZCAVGMLU-GFCCVEGCSA-N 0 3 248.326 1.411 20 10 BDCDHN COCCOCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000044693511 174358182 /nfs/dbraw/zinc/35/81/82/174358182.db2.gz SMVIPYYKWBPBOO-NSHDSACASA-N 0 3 239.315 1.706 20 10 BDCDHN COCCOCC[NH2+][C@H](C)c1ccccc1[O-] ZINC000044693513 174358729 /nfs/dbraw/zinc/35/87/29/174358729.db2.gz SMVIPYYKWBPBOO-LLVKDONJSA-N 0 3 239.315 1.706 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000271732849 175157653 /nfs/dbraw/zinc/15/76/53/175157653.db2.gz NMWQQESXPPMKTA-JTQLQIEISA-N 0 3 237.299 1.215 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000271732849 175157654 /nfs/dbraw/zinc/15/76/54/175157654.db2.gz NMWQQESXPPMKTA-JTQLQIEISA-N 0 3 237.299 1.215 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](C)CCCO)c1 ZINC000094942655 175158695 /nfs/dbraw/zinc/15/86/95/175158695.db2.gz BSDFBTAKMCZZMQ-SNVBAGLBSA-N 0 3 239.315 1.651 20 10 BDCDHN COc1ccc(O)c(CN[C@H](C)CF)c1 ZINC000290279744 175159580 /nfs/dbraw/zinc/15/95/80/175159580.db2.gz YYWRAWUWYAAKBK-MRVPVSSYSA-N 0 3 213.252 1.848 20 10 BDCDHN COc1cccc(C[N@@H+](C)C[C@@H](C)OC)c1[O-] ZINC000289211770 175254824 /nfs/dbraw/zinc/25/48/24/175254824.db2.gz CAFOEZPRYOJURK-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN COc1cccc(C[N@H+](C)C[C@@H](C)OC)c1[O-] ZINC000289211770 175254826 /nfs/dbraw/zinc/25/48/26/175254826.db2.gz CAFOEZPRYOJURK-SNVBAGLBSA-N 0 3 239.315 1.868 20 10 BDCDHN COc1cccc(C[NH2+]CCC[C@H](C)O)c1[O-] ZINC000227954031 175264999 /nfs/dbraw/zinc/26/49/99/175264999.db2.gz WLJGMXCAVOHHEB-JTQLQIEISA-N 0 3 239.315 1.651 20 10 BDCDHN CCC[C@](C)(N)C(=O)Nc1ccc(N)cc1 ZINC000294702130 487779071 /nfs/dbraw/zinc/77/90/71/487779071.db2.gz GPQNSQWNUDBQOK-LBPRGKRZSA-N 0 3 221.304 1.725 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]CC23CC(C2)CO3)c1 ZINC000529662502 324372793 /nfs/dbraw/zinc/37/27/93/324372793.db2.gz LQIVKWNTKGVFPG-UHFFFAOYSA-N 0 3 249.310 1.669 20 10 BDCDHN C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccccc1[O-] ZINC000530218583 324535467 /nfs/dbraw/zinc/53/54/67/324535467.db2.gz CVRWBYJEPWMBMJ-MNOVXSKESA-N 0 3 236.315 1.031 20 10 BDCDHN CN(C)c1ccc(CN[C@H]2C[C@@H](O)C2)cc1F ZINC000294775183 488024356 /nfs/dbraw/zinc/02/43/56/488024356.db2.gz GIDDLBATGHDPAM-PHIMTYICSA-N 0 3 238.306 1.505 20 10 BDCDHN [O-]c1ccccc1CNCC12CC(C1)C[NH2+]2 ZINC000853246716 588728539 /nfs/dbraw/zinc/72/85/39/588728539.db2.gz QTAKXMROOICIPM-UHFFFAOYSA-N 0 3 218.300 1.234 20 10 BDCDHN C[NH2+]C[C@@H](C)NCc1cccc(Cl)c1[O-] ZINC000853248278 588728792 /nfs/dbraw/zinc/72/87/92/588728792.db2.gz CVACAEBEKNKVHV-MRVPVSSYSA-N 0 3 228.723 1.743 20 10 BDCDHN CNC[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000853248278 588728793 /nfs/dbraw/zinc/72/87/93/588728793.db2.gz CVACAEBEKNKVHV-MRVPVSSYSA-N 0 3 228.723 1.743 20 10 BDCDHN [O-]c1cccc2c1[C@@H](NCC13CC(C1)C[NH2+]3)CC2 ZINC000854226183 588780703 /nfs/dbraw/zinc/78/07/03/588780703.db2.gz DSOCYVCBVGALLL-JYHUIVOISA-N 0 3 244.338 1.721 20 10 BDCDHN Cc1ccc(C[NH2+]C2([C@@H](C)O)CC2)c([O-])c1 ZINC000877637480 583339921 /nfs/dbraw/zinc/33/99/21/583339921.db2.gz IWDDSGWBJIZKMN-SNVBAGLBSA-N 0 3 221.300 1.704 20 10 BDCDHN COc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000788269449 583600252 /nfs/dbraw/zinc/60/02/52/583600252.db2.gz NRVMJFHJCGSIIE-KOLCDFICSA-N 0 3 237.299 1.356 20 10 BDCDHN COc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1[O-] ZINC000788269449 583600253 /nfs/dbraw/zinc/60/02/53/583600253.db2.gz NRVMJFHJCGSIIE-KOLCDFICSA-N 0 3 237.299 1.356 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c([O-])c1 ZINC000895324854 583651232 /nfs/dbraw/zinc/65/12/32/583651232.db2.gz NCKLCVQQQVWYHV-GFCCVEGCSA-N 0 3 248.326 1.315 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1C ZINC000895645855 583701144 /nfs/dbraw/zinc/70/11/44/583701144.db2.gz DOCUOQJXOFUNGA-JSGCOSHPSA-N 0 3 233.311 1.576 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2C[C@@H]3C[C@]3(O)C2)cc1C ZINC000895645855 583701146 /nfs/dbraw/zinc/70/11/46/583701146.db2.gz DOCUOQJXOFUNGA-JSGCOSHPSA-N 0 3 233.311 1.576 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651745 583703024 /nfs/dbraw/zinc/70/30/24/583703024.db2.gz BRKHQWDHELZMCW-ZWNOBZJWSA-N 0 3 219.284 1.267 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651745 583703025 /nfs/dbraw/zinc/70/30/25/583703025.db2.gz BRKHQWDHELZMCW-ZWNOBZJWSA-N 0 3 219.284 1.267 20 10 BDCDHN CCN1CC[C@H]1C[NH2+]Cc1ccc(C)cc1[O-] ZINC000895671332 583706032 /nfs/dbraw/zinc/70/60/32/583706032.db2.gz JPQLTKQJLXXSGD-ZDUSSCGKSA-N 0 3 234.343 1.884 20 10 BDCDHN COCC1CN(Cc2ccc(N(C)C)cc2)C1 ZINC000895970851 583756210 /nfs/dbraw/zinc/75/62/10/583756210.db2.gz HIWVKVDVZWODID-UHFFFAOYSA-N 0 3 234.343 1.831 20 10 BDCDHN CC[N@H+](CCC(N)=O)Cc1cc(C)ccc1[O-] ZINC000896715326 583826455 /nfs/dbraw/zinc/82/64/55/583826455.db2.gz QEQGMWQDTJSNFG-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN CC[N@@H+](CCC(N)=O)Cc1cc(C)ccc1[O-] ZINC000896715326 583826456 /nfs/dbraw/zinc/82/64/56/583826456.db2.gz QEQGMWQDTJSNFG-UHFFFAOYSA-N 0 3 236.315 1.398 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897681365 584039331 /nfs/dbraw/zinc/03/93/31/584039331.db2.gz SQYCQZDEEOPFET-RNCFNFMXSA-N 0 3 237.299 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897681365 584039334 /nfs/dbraw/zinc/03/93/34/584039334.db2.gz SQYCQZDEEOPFET-RNCFNFMXSA-N 0 3 237.299 1.213 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000897684466 584040564 /nfs/dbraw/zinc/04/05/64/584040564.db2.gz PPMTWQJDBJEWHT-JOYOIKCWSA-N 0 3 207.273 1.205 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@H]1O ZINC000897684466 584040565 /nfs/dbraw/zinc/04/05/65/584040565.db2.gz PPMTWQJDBJEWHT-JOYOIKCWSA-N 0 3 207.273 1.205 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C1CC(CCO)C1 ZINC000898008048 584070660 /nfs/dbraw/zinc/07/06/60/584070660.db2.gz KJYQAAMXWXKATA-UHFFFAOYSA-N 0 3 221.300 1.643 20 10 BDCDHN CC(C)C[C@@H](CN)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841038021 584083342 /nfs/dbraw/zinc/08/33/42/584083342.db2.gz FVOINLQXOPXSSC-LBPRGKRZSA-N 0 3 240.322 1.994 20 10 BDCDHN Cc1ccc(C[NH2+]CC[C@@H](O)C2CC2)c([O-])c1 ZINC000898195702 584096853 /nfs/dbraw/zinc/09/68/53/584096853.db2.gz YWPMNKBALSYCGN-CYBMUJFWSA-N 0 3 235.327 1.951 20 10 BDCDHN CCCN(C)CC(=O)NCc1ccccc1O ZINC000730281208 584898902 /nfs/dbraw/zinc/89/89/02/584898902.db2.gz GEZUQSJVSYEMDE-UHFFFAOYSA-N 0 3 236.315 1.350 20 10 BDCDHN C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1[O-] ZINC000817977878 584994284 /nfs/dbraw/zinc/99/42/84/584994284.db2.gz QZJXHFUCAAMQAY-GOONRYMUSA-N 0 3 218.300 1.261 20 10 BDCDHN CN(C)c1ccc(CN2CC(CCO)C2)cc1 ZINC000839141539 585094584 /nfs/dbraw/zinc/09/45/84/585094584.db2.gz YZPRASCKHLQVMB-UHFFFAOYSA-N 0 3 234.343 1.567 20 10 BDCDHN C[NH+](C)C(C)(C)CNC(=O)c1cc([O-])cs1 ZINC000757753319 585345351 /nfs/dbraw/zinc/34/53/51/585345351.db2.gz AIYGXKWUAXQWIX-UHFFFAOYSA-N 0 3 242.344 1.524 20 10 BDCDHN CN(Cc1ccccc1O)[C@@H]1CCCNC1=O ZINC000766884482 585509060 /nfs/dbraw/zinc/50/90/60/585509060.db2.gz AUAQCUNSNUWEAX-LLVKDONJSA-N 0 3 234.299 1.103 20 10 BDCDHN CCOc1ccc(C[N@H+](CC)CCO)c([O-])c1 ZINC000768140172 585532706 /nfs/dbraw/zinc/53/27/06/585532706.db2.gz DNEGLBVNQUPIFR-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN CCOc1ccc(C[N@@H+](CC)CCO)c([O-])c1 ZINC000768140172 585532707 /nfs/dbraw/zinc/53/27/07/585532707.db2.gz DNEGLBVNQUPIFR-UHFFFAOYSA-N 0 3 239.315 1.605 20 10 BDCDHN C[N@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768439914 585538397 /nfs/dbraw/zinc/53/83/97/585538397.db2.gz ACURHDAIXZJSGT-GFCCVEGCSA-N 0 3 235.283 1.412 20 10 BDCDHN C[N@@H+](Cc1cc2c(cc1[O-])OC[C@H]2O)C1CC1 ZINC000768439914 585538398 /nfs/dbraw/zinc/53/83/98/585538398.db2.gz ACURHDAIXZJSGT-GFCCVEGCSA-N 0 3 235.283 1.412 20 10 BDCDHN [O-]c1ccccc1C[N@@H+](CCCO)C1CC1 ZINC000779020492 585744139 /nfs/dbraw/zinc/74/41/39/585744139.db2.gz VEKKKJRSEGCZFU-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN [O-]c1ccccc1C[N@H+](CCCO)C1CC1 ZINC000779020492 585744140 /nfs/dbraw/zinc/74/41/40/585744140.db2.gz VEKKKJRSEGCZFU-UHFFFAOYSA-N 0 3 221.300 1.739 20 10 BDCDHN CCOc1ccc(C[NH2+][C@@H](CC)CO)c([O-])c1 ZINC000780583164 585781760 /nfs/dbraw/zinc/78/17/60/585781760.db2.gz MNRFDQQMCPHSEJ-NSHDSACASA-N 0 3 239.315 1.651 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783746564 585841869 /nfs/dbraw/zinc/84/18/69/585841869.db2.gz YGLKLWHLSNMBQF-OCCSQVGLSA-N 0 3 233.311 1.515 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783746564 585841870 /nfs/dbraw/zinc/84/18/70/585841870.db2.gz YGLKLWHLSNMBQF-OCCSQVGLSA-N 0 3 233.311 1.515 20 10 BDCDHN C[C@H](O)[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000808425214 586472369 /nfs/dbraw/zinc/47/23/69/586472369.db2.gz QRBFPLJEVZLJFJ-UWVGGRQHSA-N 0 3 240.322 1.751 20 10 BDCDHN CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2[O-])C1 ZINC000814172862 586615333 /nfs/dbraw/zinc/61/53/33/586615333.db2.gz BXRBGQLEWYADTF-AAEUAGOBSA-N 0 3 232.327 1.528 20 10 BDCDHN CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccccc2[O-])C1 ZINC000814172862 586615334 /nfs/dbraw/zinc/61/53/34/586615334.db2.gz BXRBGQLEWYADTF-AAEUAGOBSA-N 0 3 232.327 1.528 20 10 BDCDHN Cc1cccc(C[NH2+]CC2(CC(N)=O)CC2)c1[O-] ZINC000817411650 586801881 /nfs/dbraw/zinc/80/18/81/586801881.db2.gz WXDHLJLUOLPDAT-UHFFFAOYSA-N 0 3 248.326 1.446 20 10 BDCDHN CNCCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817941354 586844919 /nfs/dbraw/zinc/84/49/19/586844919.db2.gz UABWZIBTKAQUIS-SECBINFHSA-N 0 3 226.295 1.791 20 10 BDCDHN [O-]c1cccc2c1[C@H](N[C@@H]1CC[NH2+]C1)CC2 ZINC000817944607 586846272 /nfs/dbraw/zinc/84/62/72/586846272.db2.gz IAOHRXDULMPLMM-GHMZBOCLSA-N 0 3 218.300 1.331 20 10 BDCDHN C[C@@H](N[C@H]1CC[NH2+]C1)c1cc(F)ccc1[O-] ZINC000817945301 586846345 /nfs/dbraw/zinc/84/63/45/586846345.db2.gz ZBPSFXMPMBJCFF-SCZZXKLOSA-N 0 3 224.279 1.544 20 10 BDCDHN C[C@@H](CN)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817969608 586856436 /nfs/dbraw/zinc/85/64/36/586856436.db2.gz FADKZQPUNAYFNI-YUMQZZPRSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H](N[C@@H](C)C[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817969890 586856914 /nfs/dbraw/zinc/85/69/14/586856914.db2.gz HSBGQOJGUUCJRH-JGVFFNPUSA-N 0 3 239.275 1.298 20 10 BDCDHN CC[C@@H]([NH2+]C[C@@H](C)N)c1ccc(F)cc1[O-] ZINC000817974173 586859897 /nfs/dbraw/zinc/85/98/97/586859897.db2.gz ZXGLGKUJQDQNIF-LDYMZIIASA-N 0 3 226.295 1.919 20 10 BDCDHN CC[C@@H](N)C[NH2+][C@H](C)c1cc(F)ccc1[O-] ZINC000817979278 586861185 /nfs/dbraw/zinc/86/11/85/586861185.db2.gz JMLJGCGPIZNPGV-PSASIEDQSA-N 0 3 226.295 1.919 20 10 BDCDHN [O-]c1cccc2c1[C@@H]([NH2+][C@@H]1CC[C@H]1O)CC2 ZINC000818358283 586888977 /nfs/dbraw/zinc/88/89/77/586888977.db2.gz SRRYNPUUXFDBGR-OUAUKWLOSA-N 0 3 219.284 1.492 20 10 BDCDHN COc1cccc([O-])c1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842773590 587352827 /nfs/dbraw/zinc/35/28/27/587352827.db2.gz BLKJKFCFVAMJDV-ZJUUUORDSA-N 0 3 237.299 1.668 20 10 BDCDHN C[C@@H](O)C1(NCc2ccc(N(C)C)cc2)CC1 ZINC000827579543 587390090 /nfs/dbraw/zinc/39/00/90/587390090.db2.gz FWHZSSUCAGHZJP-LLVKDONJSA-N 0 3 234.343 1.756 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000827646110 587394294 /nfs/dbraw/zinc/39/42/94/587394294.db2.gz ZMBDMEPYOGXCRB-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CCC3(COC3)C2)c1 ZINC000827646110 587394295 /nfs/dbraw/zinc/39/42/95/587394295.db2.gz ZMBDMEPYOGXCRB-UHFFFAOYSA-N 0 3 249.310 1.623 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@@H+]1CCC2(COC2)C1 ZINC000827644006 587394340 /nfs/dbraw/zinc/39/43/40/587394340.db2.gz OCFNSWYMGDBJGU-UHFFFAOYSA-N 0 3 237.274 1.754 20 10 BDCDHN [O-]c1ccc(F)cc1C[N@H+]1CCC2(COC2)C1 ZINC000827644006 587394342 /nfs/dbraw/zinc/39/43/42/587394342.db2.gz OCFNSWYMGDBJGU-UHFFFAOYSA-N 0 3 237.274 1.754 20 10 BDCDHN COc1cccc(O)c1CN(C)C1(CO)CC1 ZINC000827903670 587408748 /nfs/dbraw/zinc/40/87/48/587408748.db2.gz NLZJUIZPBCHYPY-UHFFFAOYSA-N 0 3 237.299 1.358 20 10 BDCDHN C[C@H](NC1CC1)C(=O)Nc1ccc(N)cc1 ZINC000832243988 587652031 /nfs/dbraw/zinc/65/20/31/587652031.db2.gz CRQIOLQTTDZFAQ-QMMMGPOBSA-N 0 3 219.288 1.348 20 10 BDCDHN CSCC[C@@H](N)C(=O)Nc1ccc(N)cc1 ZINC000832244123 587652062 /nfs/dbraw/zinc/65/20/62/587652062.db2.gz LEXTYFRPGPSHKZ-SNVBAGLBSA-N 0 3 239.344 1.288 20 10 BDCDHN CCC(=O)NC[C@@H](N)c1ccc(N(C)C)cc1 ZINC000832283914 587653074 /nfs/dbraw/zinc/65/30/74/587653074.db2.gz CZWISKCQRGXHEJ-GFCCVEGCSA-N 0 3 235.331 1.279 20 10 BDCDHN CN(C)c1ccc(/C=C\CNCCO)cc1 ZINC000835041870 587779354 /nfs/dbraw/zinc/77/93/54/587779354.db2.gz BFIRIONMWIGBBD-ARJAWSKDSA-N 0 3 220.316 1.348 20 10 BDCDHN [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCCCN1 ZINC000841033624 587937255 /nfs/dbraw/zinc/93/72/55/587937255.db2.gz YCOUPOSMSUHCTF-LLVKDONJSA-N 0 3 238.306 1.763 20 10 BDCDHN [O-]c1c(F)cccc1CNC[C@H]1CCCC[NH2+]1 ZINC000841033624 587937256 /nfs/dbraw/zinc/93/72/56/587937256.db2.gz YCOUPOSMSUHCTF-LLVKDONJSA-N 0 3 238.306 1.763 20 10 BDCDHN C[NH2+]CCNCc1cc(Cl)cc(OC)c1[O-] ZINC000841036029 587937742 /nfs/dbraw/zinc/93/77/42/587937742.db2.gz NFOPLBMNOBOTCO-UHFFFAOYSA-N 0 3 244.722 1.363 20 10 BDCDHN [O-]c1ccc(F)cc1CNC[C@H]1CCC[NH2+]1 ZINC000841036732 587937747 /nfs/dbraw/zinc/93/77/47/587937747.db2.gz WSJXDDVLCGUSGD-LLVKDONJSA-N 0 3 224.279 1.373 20 10 BDCDHN CCNCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841037661 587937964 /nfs/dbraw/zinc/93/79/64/587937964.db2.gz RLNWZAUONDMMOX-UHFFFAOYSA-N 0 3 246.713 1.884 20 10 BDCDHN Nc1ccc(CCNCC2(F)CC2)cc1 ZINC000841038792 587938383 /nfs/dbraw/zinc/93/83/83/587938383.db2.gz QIRIRGNUQGZGOW-UHFFFAOYSA-N 0 3 208.280 1.903 20 10 BDCDHN N[C@@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000841048158 587938836 /nfs/dbraw/zinc/93/88/36/587938836.db2.gz CGZUBNBRFSCLSK-NSHDSACASA-N 0 3 240.734 1.873 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN[C@@H]1CC[NH2+]C1 ZINC000841045468 587939443 /nfs/dbraw/zinc/93/94/43/587939443.db2.gz WDGVSQDHAIAOHO-SNVBAGLBSA-N 0 3 226.707 1.497 20 10 BDCDHN COc1cc(Cl)cc(C[NH2+][C@@H](C)CN)c1[O-] ZINC000841064209 587941121 /nfs/dbraw/zinc/94/11/21/587941121.db2.gz VQHPHRTXVBTDJF-ZETCQYMHSA-N 0 3 244.722 1.491 20 10 BDCDHN C[C@H]1CCNC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841059762 587941197 /nfs/dbraw/zinc/94/11/97/587941197.db2.gz WTTCMAKJPSOOEQ-CABZTGNLSA-N 0 3 238.306 1.619 20 10 BDCDHN C[C@H]1CC[NH2+]C[C@@H]1NCc1cccc(F)c1[O-] ZINC000841059762 587941198 /nfs/dbraw/zinc/94/11/98/587941198.db2.gz WTTCMAKJPSOOEQ-CABZTGNLSA-N 0 3 238.306 1.619 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841892058 587981741 /nfs/dbraw/zinc/98/17/41/587981741.db2.gz SLRWMGXLEFHHTM-BJHJDKERSA-N 0 3 221.300 1.704 20 10 BDCDHN CO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccccc1[O-] ZINC000842912090 588071319 /nfs/dbraw/zinc/07/13/19/588071319.db2.gz QFSQDXWWDBEWHG-IRUJWGPZSA-N 0 3 237.299 1.457 20 10 BDCDHN Cc1cc(Cl)cc(CN2CC[C@H]([NH3+])C2)c1[O-] ZINC000843047332 588076259 /nfs/dbraw/zinc/07/62/59/588076259.db2.gz RCXYHQMLPWXHBY-NSHDSACASA-N 0 3 240.734 1.887 20 10 BDCDHN C[C@H](CN)[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050857 588076614 /nfs/dbraw/zinc/07/66/14/588076614.db2.gz AIQJFOAFPVCXKF-SSDOTTSWSA-N 0 3 246.713 1.964 20 10 BDCDHN C[C@H](CN)[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000843050857 588076615 /nfs/dbraw/zinc/07/66/15/588076615.db2.gz AIQJFOAFPVCXKF-SSDOTTSWSA-N 0 3 246.713 1.964 20 10 BDCDHN Cc1cccc(CN2CC(C)(C(N)=O)C2)c1O ZINC000843416768 588107515 /nfs/dbraw/zinc/10/75/15/588107515.db2.gz WSCKWCQGZMHPIV-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN Cc1cccc(C[NH+]2CC(C)(C(N)=O)C2)c1[O-] ZINC000843416768 588107516 /nfs/dbraw/zinc/10/75/16/588107516.db2.gz WSCKWCQGZMHPIV-UHFFFAOYSA-N 0 3 234.299 1.008 20 10 BDCDHN COc1cccc([C@H](C)[NH2+]C[C@H](C)O)c1[O-] ZINC000846138303 588258405 /nfs/dbraw/zinc/25/84/05/588258405.db2.gz QEOVCYYSVFFBJN-IUCAKERBSA-N 0 3 225.288 1.432 20 10 BDCDHN Cc1ccc([O-])c([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000846193116 588259654 /nfs/dbraw/zinc/25/96/54/588259654.db2.gz YWMIUNFAFKGXAJ-GARJFASQSA-N 0 3 248.326 1.615 20 10 BDCDHN CCc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1[O-] ZINC000848880717 588416053 /nfs/dbraw/zinc/41/60/53/588416053.db2.gz JAUQUCYTZBHTPT-CYBMUJFWSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(C[N@H+]2CCC[C@@H]2CO)c1[O-] ZINC000848880717 588416054 /nfs/dbraw/zinc/41/60/54/588416054.db2.gz JAUQUCYTZBHTPT-CYBMUJFWSA-N 0 3 235.327 1.911 20 10 BDCDHN CCc1cccc(CN2CCNC(=O)CC2)c1O ZINC000848884798 588416608 /nfs/dbraw/zinc/41/66/08/588416608.db2.gz FUYDJPIXGIWLLN-UHFFFAOYSA-N 0 3 248.326 1.277 20 10 BDCDHN CCc1cccc(CN2CC(C(=O)NC)C2)c1O ZINC000848916534 588419841 /nfs/dbraw/zinc/41/98/41/588419841.db2.gz HZMFEUKSLGVVFF-UHFFFAOYSA-N 0 3 248.326 1.132 20 10 BDCDHN COc1ccc([O-])c(CNC(=[NH2+])N2CCC2)c1 ZINC000849009068 588434104 /nfs/dbraw/zinc/43/41/04/588434104.db2.gz YILHCAGAWVHXBH-UHFFFAOYSA-N 0 3 235.287 1.131 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC1(CO)CC1 ZINC000118906811 589204368 /nfs/dbraw/zinc/20/43/68/589204368.db2.gz QKYBREDRXUMMCL-UHFFFAOYSA-N 0 3 207.273 1.254 20 10 BDCDHN CC[C@@H](C(=O)NCCc1ccc(N)cc1)N(C)C ZINC000863585378 589302102 /nfs/dbraw/zinc/30/21/02/589302102.db2.gz XCNSPBIBKQLJNK-ZDUSSCGKSA-N 0 3 249.358 1.268 20 10 BDCDHN C[C@H](N)C[N@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652950 589307364 /nfs/dbraw/zinc/30/73/64/589307364.db2.gz ZXWVZMVVQYWXCI-ZETCQYMHSA-N 0 3 246.713 1.964 20 10 BDCDHN C[C@H](N)C[N@@H+](C)Cc1cc(Cl)cc(F)c1[O-] ZINC000863652950 589307366 /nfs/dbraw/zinc/30/73/66/589307366.db2.gz ZXWVZMVVQYWXCI-ZETCQYMHSA-N 0 3 246.713 1.964 20 10 BDCDHN C[C@@H]([NH3+])CN(C)Cc1cccc(F)c1[O-] ZINC000863652889 589307670 /nfs/dbraw/zinc/30/76/70/589307670.db2.gz XYPWNIQCKLHGEQ-MRVPVSSYSA-N 0 3 212.268 1.310 20 10 BDCDHN C[C@@H](N)C[N@H+](C)Cc1cccc(F)c1[O-] ZINC000863652889 589307672 /nfs/dbraw/zinc/30/76/72/589307672.db2.gz XYPWNIQCKLHGEQ-MRVPVSSYSA-N 0 3 212.268 1.310 20 10 BDCDHN C[C@@H](N)C[N@@H+](C)Cc1cccc(F)c1[O-] ZINC000863652889 589307673 /nfs/dbraw/zinc/30/76/73/589307673.db2.gz XYPWNIQCKLHGEQ-MRVPVSSYSA-N 0 3 212.268 1.310 20 10 BDCDHN COc1cccc(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)c1[O-] ZINC000864455967 589367037 /nfs/dbraw/zinc/36/70/37/589367037.db2.gz AZHVGNLNKASTQI-WCBMZHEXSA-N 0 3 249.314 1.423 20 10 BDCDHN COc1ccc([O-])c(CNC(=[NH2+])N[C@H]2C[C@H]2C)c1 ZINC000864462052 589369309 /nfs/dbraw/zinc/36/93/09/589369309.db2.gz RCQWKHIPLSHDHQ-KCJUWKMLSA-N 0 3 249.314 1.423 20 10 BDCDHN CCOc1cccc(C[NH2+]C2(CO)CC2)c1[O-] ZINC000120340973 589404936 /nfs/dbraw/zinc/40/49/36/589404936.db2.gz JUSKPRHBISCUSP-UHFFFAOYSA-N 0 3 237.299 1.405 20 10 BDCDHN CC(C)[C@@](C)(O)C[NH2+]Cc1ccccc1[O-] ZINC000123279178 589685287 /nfs/dbraw/zinc/68/52/87/589685287.db2.gz UBZYWAQVUCRSIA-ZDUSSCGKSA-N 0 3 223.316 1.889 20 10 BDCDHN CC(C)[C@@H](N)C(=O)N[C@H](C)c1ccccc1O ZINC000870988044 589706926 /nfs/dbraw/zinc/70/69/26/589706926.db2.gz FAIVLJKMSZMUHI-BXKDBHETSA-N 0 3 236.315 1.553 20 10 BDCDHN CCCN(C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202379 589744163 /nfs/dbraw/zinc/74/41/63/589744163.db2.gz GAMCYBPPJHWPBG-UHFFFAOYSA-N 0 3 248.326 1.576 20 10 BDCDHN Cc1cccc(C[NH2+]C[C@@H]2CCC(=O)N2)c1[O-] ZINC000124843075 590093594 /nfs/dbraw/zinc/09/35/94/590093594.db2.gz QDPAEJMXEXSIQY-NSHDSACASA-N 0 3 234.299 1.069 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCCN(C)CC1 ZINC000876511087 590205431 /nfs/dbraw/zinc/20/54/31/590205431.db2.gz WAKDACVXSGKCPT-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCCN(C)CC1 ZINC000876511087 590205433 /nfs/dbraw/zinc/20/54/33/590205433.db2.gz WAKDACVXSGKCPT-UHFFFAOYSA-N 0 3 234.343 1.838 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000876528375 590209196 /nfs/dbraw/zinc/20/91/96/590209196.db2.gz WHCNWVDMYNRHMO-LLVKDONJSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CCC[C@@H](O)C1 ZINC000876528375 590209197 /nfs/dbraw/zinc/20/91/97/590209197.db2.gz WHCNWVDMYNRHMO-LLVKDONJSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc(C[NH2+]CCNC(=O)C2CC2)c([O-])c1 ZINC000876892796 590255259 /nfs/dbraw/zinc/25/52/59/590255259.db2.gz UDYBTHGXWCCEEM-UHFFFAOYSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2COCCO2)c([O-])c1 ZINC000876951893 590260213 /nfs/dbraw/zinc/26/02/13/590260213.db2.gz QRNSJVHRUIEJGY-LBPRGKRZSA-N 0 3 237.299 1.206 20 10 BDCDHN Cc1ccc(C[NH2+][C@H](C)C(C)(C)O)c([O-])c1 ZINC000876996296 590266727 /nfs/dbraw/zinc/26/67/27/590266727.db2.gz RJOHMPNQQUZQIS-SNVBAGLBSA-N 0 3 223.316 1.950 20 10 BDCDHN COC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877026281 590271004 /nfs/dbraw/zinc/27/10/04/590271004.db2.gz BMEQLRQNCMLZFI-ZDUSSCGKSA-N 0 3 239.315 1.188 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H](C)[C@H](C)CO ZINC000877058265 590275751 /nfs/dbraw/zinc/27/57/51/590275751.db2.gz WYBZCVAKMUFUIS-GHMZBOCLSA-N 0 3 223.316 1.807 20 10 BDCDHN Cc1ccc(C[NH2+]CCCn2ccnn2)c([O-])c1 ZINC000877310723 590312100 /nfs/dbraw/zinc/31/21/00/590312100.db2.gz QLMBBXGSQKXQRR-UHFFFAOYSA-N 0 3 246.314 1.472 20 10 BDCDHN Cc1ccc(C[N@@H+](C)C[C@@H](C)O)c([O-])c1 ZINC000877320679 590315692 /nfs/dbraw/zinc/31/56/92/590315692.db2.gz QEBVBNOJXLNNDX-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc(C[N@H+](C)C[C@@H](C)O)c([O-])c1 ZINC000877320679 590315693 /nfs/dbraw/zinc/31/56/93/590315693.db2.gz QEBVBNOJXLNNDX-SNVBAGLBSA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000877434745 590326614 /nfs/dbraw/zinc/32/66/14/590326614.db2.gz TZKCBRDXGPDEQK-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@H](O)[C@@H](C)C2)c([O-])c1 ZINC000877434745 590326616 /nfs/dbraw/zinc/32/66/16/590326616.db2.gz TZKCBRDXGPDEQK-AAEUAGOBSA-N 0 3 235.327 1.903 20 10 BDCDHN CO[C@@H](C)C[NH2+]Cc1c(C)cccc1[O-] ZINC000877463451 590332987 /nfs/dbraw/zinc/33/29/87/590332987.db2.gz DHDVNCIYUYZHOM-JTQLQIEISA-N 0 3 209.289 1.825 20 10 BDCDHN CNC(=O)C[C@H](C)[NH2+]Cc1c(C)cccc1[O-] ZINC000877571822 590363247 /nfs/dbraw/zinc/36/32/47/590363247.db2.gz AHFKZLWNOYWQKK-JTQLQIEISA-N 0 3 236.315 1.315 20 10 BDCDHN Cc1ccc(CN2CC(C)(CO)C2)c(O)c1 ZINC000877581898 590365781 /nfs/dbraw/zinc/36/57/81/590365781.db2.gz XRSIJYPMRHRULX-UHFFFAOYSA-N 0 3 221.300 1.515 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)c([O-])c1 ZINC000877586938 590368242 /nfs/dbraw/zinc/36/82/42/590368242.db2.gz YLATXURFIABTTC-LBPRGKRZSA-N 0 3 248.326 1.316 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000877610311 590372204 /nfs/dbraw/zinc/37/22/04/590372204.db2.gz NPYNPEQKNFNBMH-AOOOYVTPSA-N 0 3 234.299 1.054 20 10 BDCDHN Cc1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c([O-])c1 ZINC000877631956 590378063 /nfs/dbraw/zinc/37/80/63/590378063.db2.gz WYGLDQQNFKNEPI-GXTWGEPZSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1ccc(C[N@H+]2CC[C@@]3(O)C[C@H]3C2)c([O-])c1 ZINC000877631956 590378066 /nfs/dbraw/zinc/37/80/66/590378066.db2.gz WYGLDQQNFKNEPI-GXTWGEPZSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1ccc(C[NH2+][C@H]2C[C@H](O)C2)c([O-])c1 ZINC000877641454 590382386 /nfs/dbraw/zinc/38/23/86/590382386.db2.gz UNTZDYDLEIHMLN-XYPYZODXSA-N 0 3 207.273 1.314 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCOCCF ZINC000877643263 590382847 /nfs/dbraw/zinc/38/28/47/590382847.db2.gz FVSPSQXWLUUNLJ-UHFFFAOYSA-N 0 3 227.279 1.776 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCCNC(=O)C1)c1ccccc1[O-] ZINC000877758359 590418547 /nfs/dbraw/zinc/41/85/47/590418547.db2.gz VUSGJEOELNAOQC-QWRGUYRKSA-N 0 3 248.326 1.712 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)c([O-])c1 ZINC000877810911 590426415 /nfs/dbraw/zinc/42/64/15/590426415.db2.gz APYJSDMRSMILNK-UMSPYCQHSA-N 0 3 221.300 1.561 20 10 BDCDHN C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccccc1[O-] ZINC000879650835 590842914 /nfs/dbraw/zinc/84/29/14/590842914.db2.gz SLVDIHOBXQLPCG-JTQLQIEISA-N 0 3 248.326 1.664 20 10 BDCDHN Cc1cc(CN2CC=C[C@H]2CO)ccc1N(C)C ZINC000880492668 591072070 /nfs/dbraw/zinc/07/20/70/591072070.db2.gz UTVAHMDVBLACON-AWEZNQCLSA-N 0 3 246.354 1.794 20 10 BDCDHN C[C@H]([NH2+][C@@H](C)c1ccccc1[O-])C(=O)NC1CC1 ZINC000135718845 592033201 /nfs/dbraw/zinc/03/32/01/592033201.db2.gz WGDJEZFLUWTWHE-UWVGGRQHSA-N 0 3 248.326 1.710 20 10 BDCDHN C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2[O-])C1 ZINC000136822314 592151417 /nfs/dbraw/zinc/15/14/17/592151417.db2.gz JDVONYTWGVEICU-NEPJUHHUSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@@H](O)[C@H]1CCC[N@@H+](Cc2ccccc2[O-])C1 ZINC000136822314 592151419 /nfs/dbraw/zinc/15/14/19/592151419.db2.gz JDVONYTWGVEICU-NEPJUHHUSA-N 0 3 235.327 1.985 20 10 BDCDHN CCOc1ccc([O-])c(C[NH2+][C@]23C[C@H]2COC3)c1 ZINC000886201727 592175076 /nfs/dbraw/zinc/17/50/76/592175076.db2.gz PADTWLBPFSDTHJ-FZMZJTMJSA-N 0 3 249.310 1.669 20 10 BDCDHN CCOc1ccc(O)c(CN[C@]23C[C@H]2COC3)c1 ZINC000886201727 592175078 /nfs/dbraw/zinc/17/50/78/592175078.db2.gz PADTWLBPFSDTHJ-FZMZJTMJSA-N 0 3 249.310 1.669 20 10 BDCDHN Cc1cc(C)c([C@H](C)N[C@H]2CNOC2)c(O)c1 ZINC000925866694 635569517 /nfs/dbraw/zinc/56/95/17/635569517.db2.gz OGYPTPXODZJPMT-QWRGUYRKSA-N 0 3 236.315 1.563 20 10 BDCDHN CC[C@@H](O)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000309511667 632432605 /nfs/dbraw/zinc/43/26/05/632432605.db2.gz PQBATQJHLFZQES-MNOVXSKESA-N 0 3 221.300 1.740 20 10 BDCDHN CC(C)(CO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000310465466 632744194 /nfs/dbraw/zinc/74/41/94/632744194.db2.gz GNYNVGHMDSQHIE-NSHDSACASA-N 0 3 235.327 1.988 20 10 BDCDHN C[C@@H](CN)[N@H+](C)Cc1cccc(Cl)c1[O-] ZINC000309504505 633938219 /nfs/dbraw/zinc/93/82/19/633938219.db2.gz VOIKYISXMGILMJ-QMMMGPOBSA-N 0 3 228.723 1.825 20 10 BDCDHN C[C@@H](CN)[N@@H+](C)Cc1cccc(Cl)c1[O-] ZINC000309504505 633938224 /nfs/dbraw/zinc/93/82/24/633938224.db2.gz VOIKYISXMGILMJ-QMMMGPOBSA-N 0 3 228.723 1.825 20 10 BDCDHN C[N@@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@H]1O ZINC000305745878 636329947 /nfs/dbraw/zinc/32/99/47/636329947.db2.gz OXXVDSISGAZFLD-TZMCWYRMSA-N 0 3 235.327 1.985 20 10 BDCDHN C[N@H+](Cc1ccccc1[O-])C[C@H]1CCC[C@H]1O ZINC000305745878 636329951 /nfs/dbraw/zinc/32/99/51/636329951.db2.gz OXXVDSISGAZFLD-TZMCWYRMSA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]([NH2+]CCCON)c1ccccc1[O-] ZINC000902419918 637303072 /nfs/dbraw/zinc/30/30/72/637303072.db2.gz VPDVMKLIIUNXPQ-VIFPVBQESA-N 0 3 210.277 1.323 20 10 BDCDHN CC[S@](=O)CC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000163978635 640432593 /nfs/dbraw/zinc/43/25/93/640432593.db2.gz HHEDPFKAYLNQAQ-MGPLVRAMSA-N 0 3 241.356 1.811 20 10 BDCDHN CC(C)(C)[C@H](N)C(=O)NCc1ccccc1O ZINC000228420788 640873542 /nfs/dbraw/zinc/87/35/42/640873542.db2.gz QMHGMWNZFBYIOX-LLVKDONJSA-N 0 3 236.315 1.382 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044684077 643547078 /nfs/dbraw/zinc/54/70/78/643547078.db2.gz CIMNARQAPXWVFM-GFCCVEGCSA-N 0 3 232.327 1.719 20 10 BDCDHN C[N@@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000735688505 643555482 /nfs/dbraw/zinc/55/54/82/643555482.db2.gz XBIIOIHGBROAEY-MRVPVSSYSA-N 0 3 240.328 1.135 20 10 BDCDHN C[N@H+]1CC[C@H](CNC(=O)c2cc([O-])cs2)C1 ZINC000735688505 643555490 /nfs/dbraw/zinc/55/54/90/643555490.db2.gz XBIIOIHGBROAEY-MRVPVSSYSA-N 0 3 240.328 1.135 20 10 BDCDHN CN1CC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000735688505 643555497 /nfs/dbraw/zinc/55/54/97/643555497.db2.gz XBIIOIHGBROAEY-MRVPVSSYSA-N 0 3 240.328 1.135 20 10 BDCDHN COC1CC([NH2+]Cc2ccccc2[O-])C1 ZINC000230690270 644526540 /nfs/dbraw/zinc/52/65/40/644526540.db2.gz FQHYPFJLISJBTP-UHFFFAOYSA-N 0 3 207.273 1.659 20 10 BDCDHN Cc1ccc(O)c(CN2CCC3(C2)OCCO3)c1 ZINC000093013629 644674620 /nfs/dbraw/zinc/67/46/20/644674620.db2.gz DCADHMAVYBVKCP-UHFFFAOYSA-N 0 3 249.310 1.649 20 10 BDCDHN CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1[O-] ZINC000824637838 645057412 /nfs/dbraw/zinc/05/74/12/645057412.db2.gz ZYVTXMJWVWEXKQ-OLZOCXBDSA-N 0 3 235.327 1.985 20 10 BDCDHN CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccccc1[O-] ZINC000824637838 645057417 /nfs/dbraw/zinc/05/74/17/645057417.db2.gz ZYVTXMJWVWEXKQ-OLZOCXBDSA-N 0 3 235.327 1.985 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000707607014 712176104 /nfs/dbraw/zinc/17/61/04/712176104.db2.gz UBVWPXVROHIHLD-JGZJWPJOSA-N 0 3 207.273 1.253 20 10 BDCDHN CCN1CC[C@H]1C[NH2+]Cc1ccccc1[O-] ZINC000712546274 712443967 /nfs/dbraw/zinc/44/39/67/712443967.db2.gz CDWAZGVVKOLRBS-LBPRGKRZSA-N 0 3 220.316 1.576 20 10 BDCDHN CCN1CCC[C@@H]([NH2+]Cc2ccccc2[O-])C1=O ZINC000722341521 711741220 /nfs/dbraw/zinc/74/12/20/711741220.db2.gz IUZIPLIBJRKZFH-GFCCVEGCSA-N 0 3 248.326 1.493 20 10 BDCDHN Cc1ccc(C[NH2+]CC[C@H]2CNC(=O)C2)c([O-])c1 ZINC000896896855 711783182 /nfs/dbraw/zinc/78/31/82/711783182.db2.gz NYOPYVIDPLFUHX-LLVKDONJSA-N 0 3 248.326 1.316 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@H](O)C(F)F ZINC000716682306 712569737 /nfs/dbraw/zinc/56/97/37/712569737.db2.gz CAWNTUWIYLQABX-JTQLQIEISA-N 0 3 231.242 1.498 20 10 BDCDHN COC[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1[O-] ZINC000716814766 712576146 /nfs/dbraw/zinc/57/61/46/712576146.db2.gz ZUKNGKJBTJLQIJ-GFCCVEGCSA-N 0 3 243.278 1.018 20 10 BDCDHN Cc1ccc(C[NH2+]CCC[C@@H](C)O)c([O-])c1 ZINC000877484903 712631151 /nfs/dbraw/zinc/63/11/51/712631151.db2.gz SKEYAEQMCHZWFE-LLVKDONJSA-N 0 3 223.316 1.951 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720958342 712883001 /nfs/dbraw/zinc/88/30/01/712883001.db2.gz YBLFTQAIQBTAMX-DKTWLAJQSA-N 0 3 225.263 1.392 20 10 BDCDHN Cc1cccc(CN2CC(N(C)C)C2)c1O ZINC001231590839 977639798 /nfs/dbraw/zinc/63/97/98/977639798.db2.gz IQYALHUGNMSOMN-UHFFFAOYSA-N 0 3 220.316 1.446 20 10 BDCDHN Cc1cccc(O)c1CN1C[C@@H](F)C[C@H]1CO ZINC001237483688 979908640 /nfs/dbraw/zinc/90/86/40/979908640.db2.gz QXEOTYRKKWKBAG-QWRGUYRKSA-N 0 3 239.290 1.605 20 10 BDCDHN C[C@@H](NC(=O)[C@H](C)N)c1ccc(N(C)C)cc1 ZINC001574073382 984071571 /nfs/dbraw/zinc/07/15/71/984071571.db2.gz CPHXHNJCISDMEI-VHSXEESVSA-N 0 3 235.331 1.277 20 10 BDCDHN C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2[O-])CO1 ZINC000402183637 970769932 /nfs/dbraw/zinc/76/99/32/970769932.db2.gz BQCFVGZFAGROPQ-LDYMZIIASA-N 0 3 225.263 1.798 20 10 BDCDHN [O-]c1ccccc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404225629 971149208 /nfs/dbraw/zinc/14/92/08/971149208.db2.gz LCNAIXWRVSJRAR-CYBMUJFWSA-N 0 3 237.299 1.023 20 10 BDCDHN CC1(C)C[C@H]([NH2+]Cc2ccc(O)cc2[O-])CO1 ZINC000396619947 957069002 /nfs/dbraw/zinc/06/90/02/957069002.db2.gz XALWRVNHILAAHS-JTQLQIEISA-N 0 3 237.299 1.755 20 10 BDCDHN Oc1ccc(O)c(CN2CC[C@@H](F)[C@H](O)C2)c1 ZINC001141156257 960892026 /nfs/dbraw/zinc/89/20/26/960892026.db2.gz IQZCOYTYWVQBOE-ZYHUDNBSSA-N 0 3 241.262 1.003 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC000092764858 961873427 /nfs/dbraw/zinc/87/34/27/961873427.db2.gz FVMCWXKQEQWDSR-SNVBAGLBSA-N 0 3 237.299 1.215 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@@H](CO)C2)c([O-])c1 ZINC000092764858 961873435 /nfs/dbraw/zinc/87/34/35/961873435.db2.gz FVMCWXKQEQWDSR-SNVBAGLBSA-N 0 3 237.299 1.215 20 10 BDCDHN [NH3+][C@H]1CN(Cc2cc(Cl)ccc2[O-])C[C@H]1F ZINC001204820964 963866085 /nfs/dbraw/zinc/86/60/85/963866085.db2.gz WNTVGBQMFHBGPQ-ZJUUUORDSA-N 0 3 244.697 1.527 20 10 BDCDHN [O-]c1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236281902 966330441 /nfs/dbraw/zinc/33/04/41/966330441.db2.gz CCKPTLFBOOBPMJ-KOLCDFICSA-N 0 3 238.718 1.449 20 10 BDCDHN C[C@H]1CC[N@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC001203550486 966677263 /nfs/dbraw/zinc/67/72/63/966677263.db2.gz VYJGEAUFQZLHCU-WCQYABFASA-N 0 3 235.327 1.985 20 10 BDCDHN C[C@H]1CC[N@@H+](Cc2ccccc2[O-])CC[C@H]1O ZINC001203550486 966677269 /nfs/dbraw/zinc/67/72/69/966677269.db2.gz VYJGEAUFQZLHCU-WCQYABFASA-N 0 3 235.327 1.985 20 10 BDCDHN COc1ccc(C[N@@H+]2CC[C@H]2C)c([O-])c1 ZINC001203621274 966711607 /nfs/dbraw/zinc/71/16/07/966711607.db2.gz QWPHSNQMCFXIIM-SECBINFHSA-N 0 3 207.273 1.995 20 10 BDCDHN COc1ccc(C[N@H+]2CC[C@H]2C)c([O-])c1 ZINC001203621274 966711611 /nfs/dbraw/zinc/71/16/11/966711611.db2.gz QWPHSNQMCFXIIM-SECBINFHSA-N 0 3 207.273 1.995 20 10 BDCDHN COc1ccc(O)c(CN2CC(N(C)C)C2)c1 ZINC001203670353 966733057 /nfs/dbraw/zinc/73/30/57/966733057.db2.gz OPEFYEAPNVHTBR-UHFFFAOYSA-N 0 3 236.315 1.147 20 10 BDCDHN Oc1ccc(CN2CC[C@@H]3OCC[C@@H]3C2)cc1O ZINC001203880557 966810639 /nfs/dbraw/zinc/81/06/39/966810639.db2.gz VLUQTLYETIABGL-RISCZKNCSA-N 0 3 249.310 1.709 20 10 BDCDHN C[C@]1(CO)CC[N@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276308 966953263 /nfs/dbraw/zinc/95/32/63/966953263.db2.gz JZWCMYGSIYMGMS-ZDUSSCGKSA-N 0 3 237.299 1.302 20 10 BDCDHN C[C@]1(CO)CC[N@@H+](Cc2ccc(O)cc2[O-])C1 ZINC001204276308 966953267 /nfs/dbraw/zinc/95/32/67/966953267.db2.gz JZWCMYGSIYMGMS-ZDUSSCGKSA-N 0 3 237.299 1.302 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@]12CCOC2 ZINC001204279963 966956663 /nfs/dbraw/zinc/95/66/63/966956663.db2.gz GPEULJRTOMGWRI-CQSZACIVSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@]12CCOC2 ZINC001204279963 966956674 /nfs/dbraw/zinc/95/66/74/966956674.db2.gz GPEULJRTOMGWRI-CQSZACIVSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CC[C@]2(CCCO2)C1 ZINC001204277015 966958407 /nfs/dbraw/zinc/95/84/07/966958407.db2.gz VYTRHIIBDQWISR-CQSZACIVSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CC[C@]2(CCCO2)C1 ZINC001204277015 966958417 /nfs/dbraw/zinc/95/84/17/966958417.db2.gz VYTRHIIBDQWISR-CQSZACIVSA-N 0 3 249.310 1.853 20 10 BDCDHN COc1cc(CN2CC[C@H](C)C2)cc(O)c1O ZINC001204344077 966972957 /nfs/dbraw/zinc/97/29/57/966972957.db2.gz UYLPWTSEIAUTRR-VIFPVBQESA-N 0 3 237.299 1.948 20 10 BDCDHN Cc1ncc(CN2CCc3cccc(O)c3C2)[nH]1 ZINC001232464534 978112848 /nfs/dbraw/zinc/11/28/48/978112848.db2.gz GDTAOSRPLLLWLG-UHFFFAOYSA-N 0 3 243.310 1.982 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@@H+]1CCC[C@@]2(CCO2)C1 ZINC001204279096 978934008 /nfs/dbraw/zinc/93/40/08/978934008.db2.gz QLWWOPPELUQPMS-CQSZACIVSA-N 0 3 249.310 1.853 20 10 BDCDHN [O-]c1cc(O)ccc1C[N@H+]1CCC[C@@]2(CCO2)C1 ZINC001204279096 978934024 /nfs/dbraw/zinc/93/40/24/978934024.db2.gz QLWWOPPELUQPMS-CQSZACIVSA-N 0 3 249.310 1.853 20 10 BDCDHN COC(=O)CC1CN(Cc2c(C)cccc2O)C1 ZINC001237489579 979914711 /nfs/dbraw/zinc/91/47/11/979914711.db2.gz IVLCGKIFCMYNMG-UHFFFAOYSA-N 0 3 249.310 1.696 20 10 BDCDHN Cc1cc(F)cc(C[N@H+](C)CC2COC2)c1[O-] ZINC001238068959 980136493 /nfs/dbraw/zinc/13/64/93/980136493.db2.gz HGRLCSICEJSMKR-UHFFFAOYSA-N 0 3 239.290 1.918 20 10 BDCDHN Cc1cc(F)cc(C[N@@H+](C)CC2COC2)c1[O-] ZINC001238068959 980136498 /nfs/dbraw/zinc/13/64/98/980136498.db2.gz HGRLCSICEJSMKR-UHFFFAOYSA-N 0 3 239.290 1.918 20 10 BDCDHN C[C@@H](NCc1ccc(N)cc1)c1ccnn1C ZINC001345160088 980568891 /nfs/dbraw/zinc/56/88/91/980568891.db2.gz QTLKQLKFSUGPAP-SNVBAGLBSA-N 0 3 230.315 1.853 20 10 BDCDHN Cn1ccc2c1ncnc2C1=CCCN(C)C1 ZINC001241566548 982810673 /nfs/dbraw/zinc/81/06/73/982810673.db2.gz YQNKBNBHSQJEOA-UHFFFAOYSA-N 0 3 228.299 1.687 20 10 BDCDHN [O-]c1cccc2c1C[N@@H+]([C@H]1CCCOC1)CC2 ZINC001254386488 986609899 /nfs/dbraw/zinc/60/98/99/986609899.db2.gz RMGYTSSBYKATHA-LBPRGKRZSA-N 0 3 233.311 1.929 20 10 BDCDHN [O-]c1cccc2c1C[N@H+]([C@H]1CCCOC1)CC2 ZINC001254386488 986609904 /nfs/dbraw/zinc/60/99/04/986609904.db2.gz RMGYTSSBYKATHA-LBPRGKRZSA-N 0 3 233.311 1.929 20 10 BDCDHN [NH3+]C1(C(=O)NCc2c([O-])cccc2F)CCC1 ZINC001522790166 989876502 /nfs/dbraw/zinc/87/65/02/989876502.db2.gz JIZWCMBCJSKOFC-UHFFFAOYSA-N 0 3 238.262 1.029 20 10 BDCDHN CC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059905 991510419 /nfs/dbraw/zinc/51/04/19/991510419.db2.gz AJEWANSRXVJGCN-SNVBAGLBSA-N 0 3 237.274 1.942 20 10 BDCDHN CC(=O)[C@@H]1CC[N@@H+](Cc2cc(F)ccc2[O-])C1 ZINC001140059905 991510423 /nfs/dbraw/zinc/51/04/23/991510423.db2.gz AJEWANSRXVJGCN-SNVBAGLBSA-N 0 3 237.274 1.942 20 10 BDCDHN Cc1cc([O-])c(C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000128081070 178194665 /nfs/dbraw/zinc/19/46/65/178194665.db2.gz KFFUYWYGXXVWIX-GFCCVEGCSA-N 0 3 221.300 1.576 20 10 BDCDHN Cc1cc([O-])c(C[N@H+]2CC[C@@H](O)C2)cc1C ZINC000128081070 178194666 /nfs/dbraw/zinc/19/46/66/178194666.db2.gz KFFUYWYGXXVWIX-GFCCVEGCSA-N 0 3 221.300 1.576 20 10 BDCDHN CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1ccccc1[O-] ZINC000042560616 343443869 /nfs/dbraw/zinc/44/38/69/343443869.db2.gz GMEZAELQMJKUES-GXSJLCMTSA-N 0 3 236.315 1.567 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000272568237 179079048 /nfs/dbraw/zinc/07/90/48/179079048.db2.gz VHBPEGLBXDRAEN-VXGBXAGGSA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@@H]([C@@H](C)O)C2)c1[O-] ZINC000272568237 179079051 /nfs/dbraw/zinc/07/90/51/179079051.db2.gz VHBPEGLBXDRAEN-VXGBXAGGSA-N 0 3 235.327 1.903 20 10 BDCDHN CC1(C)C[N@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000280572538 351851631 /nfs/dbraw/zinc/85/16/31/351851631.db2.gz VZJZGNHNGSFBGZ-LBPRGKRZSA-N 0 3 239.290 1.734 20 10 BDCDHN CC1(C)C[N@@H+](Cc2cc(F)ccc2[O-])C[C@@H]1O ZINC000280572538 351851632 /nfs/dbraw/zinc/85/16/32/351851632.db2.gz VZJZGNHNGSFBGZ-LBPRGKRZSA-N 0 3 239.290 1.734 20 10 BDCDHN CC[N@H+](Cc1cccc(C)c1[O-])[C@H](C)CO ZINC000292856373 352331780 /nfs/dbraw/zinc/33/17/80/352331780.db2.gz UVBWGOVPHXIRCM-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN CC[N@@H+](Cc1cccc(C)c1[O-])[C@H](C)CO ZINC000292856373 352331784 /nfs/dbraw/zinc/33/17/84/352331784.db2.gz UVBWGOVPHXIRCM-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCC[C@@H](CO)C1 ZINC000124985068 183118867 /nfs/dbraw/zinc/11/88/67/183118867.db2.gz VWOKGBNPRSQDFQ-LLVKDONJSA-N 0 3 221.300 1.597 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000124985068 183118868 /nfs/dbraw/zinc/11/88/68/183118868.db2.gz VWOKGBNPRSQDFQ-LLVKDONJSA-N 0 3 221.300 1.597 20 10 BDCDHN [O-]c1ccc(F)cc1C[NH2+]CCOCC(F)F ZINC000189001989 183275594 /nfs/dbraw/zinc/27/55/94/183275594.db2.gz TYISXAPPLMAESM-UHFFFAOYSA-N 0 3 249.232 1.903 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188818670 183303720 /nfs/dbraw/zinc/30/37/20/183303720.db2.gz IWYRJVOFKJLDAE-ZYHUDNBSSA-N 0 3 221.300 1.643 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051991276 183304145 /nfs/dbraw/zinc/30/41/45/183304145.db2.gz OXIYYLGPQMPKBV-DGCLKSJQSA-N 0 3 221.300 1.785 20 10 BDCDHN C[C@H]([NH2+]CCS(C)(=O)=O)c1ccccc1[O-] ZINC000037740563 384007756 /nfs/dbraw/zinc/00/77/56/384007756.db2.gz XDTUPCLSHKKSKQ-VIFPVBQESA-N 0 3 243.328 1.087 20 10 BDCDHN C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1[O-] ZINC000050394509 384621481 /nfs/dbraw/zinc/62/14/81/384621481.db2.gz DCFJVIQDGRVSHP-ONGXEEELSA-N 0 3 234.299 1.321 20 10 BDCDHN C[C@H]([NH2+]Cc1cncn1C)c1ccccc1[O-] ZINC000271722138 384636315 /nfs/dbraw/zinc/63/63/15/384636315.db2.gz YCXITRLCRPMZHO-JTQLQIEISA-N 0 3 231.299 1.977 20 10 BDCDHN C[N@H+](CCC1OCCO1)Cc1ccccc1[O-] ZINC000124946261 384686223 /nfs/dbraw/zinc/68/62/23/384686223.db2.gz XDOBSZDYQRBMGJ-UHFFFAOYSA-N 0 3 237.299 1.587 20 10 BDCDHN C[N@@H+](CCC1OCCO1)Cc1ccccc1[O-] ZINC000124946261 384686229 /nfs/dbraw/zinc/68/62/29/384686229.db2.gz XDOBSZDYQRBMGJ-UHFFFAOYSA-N 0 3 237.299 1.587 20 10 BDCDHN CCN(C)C(=O)CNCc1cc(C)ccc1O ZINC000185178332 384687131 /nfs/dbraw/zinc/68/71/31/384687131.db2.gz ATECIAVLPYYLGG-UHFFFAOYSA-N 0 3 236.315 1.269 20 10 BDCDHN C[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1[O-] ZINC000082992612 384733385 /nfs/dbraw/zinc/73/33/85/384733385.db2.gz QNIYSYGPAIQBHS-VHSXEESVSA-N 0 3 209.289 1.814 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CO)c([O-])c1 ZINC000083219202 384751678 /nfs/dbraw/zinc/75/16/78/384751678.db2.gz DMCHHMIEBFEDPQ-MNOVXSKESA-N 0 3 223.316 1.980 20 10 BDCDHN CC[C@@H]([NH2+][C@@H](CO)COC)c1ccccc1[O-] ZINC000233897958 384900526 /nfs/dbraw/zinc/90/05/26/384900526.db2.gz KESVOTAXZBYOJP-CMPLNLGQSA-N 0 3 239.315 1.440 20 10 BDCDHN Cc1ccc(O)c(CN2CCN(C3CC3)CC2)c1 ZINC000127942159 384969356 /nfs/dbraw/zinc/96/93/56/384969356.db2.gz WCSVQYHCFNJHKL-UHFFFAOYSA-N 0 3 246.354 1.981 20 10 BDCDHN CCN(C)C(=O)C[NH2+]Cc1cc(F)ccc1[O-] ZINC000187675986 384973043 /nfs/dbraw/zinc/97/30/43/384973043.db2.gz DGAPRCGSBIYFTE-UHFFFAOYSA-N 0 3 240.278 1.099 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000127995182 384977171 /nfs/dbraw/zinc/97/71/71/384977171.db2.gz UOJFEJXYMIPTGK-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC000127995182 384977184 /nfs/dbraw/zinc/97/71/84/384977184.db2.gz UOJFEJXYMIPTGK-LBPRGKRZSA-N 0 3 221.300 1.657 20 10 BDCDHN CC[C@H]([NH2+][C@@H](CO)COC)c1ccccc1[O-] ZINC000234028614 385262569 /nfs/dbraw/zinc/26/25/69/385262569.db2.gz KESVOTAXZBYOJP-JQWIXIFHSA-N 0 3 239.315 1.440 20 10 BDCDHN CCOc1cccc(C[N@H+](C)C[C@H](C)O)c1[O-] ZINC000130718063 385277819 /nfs/dbraw/zinc/27/78/19/385277819.db2.gz VLALTXAQQJZBGT-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN CCOc1cccc(C[N@@H+](C)C[C@H](C)O)c1[O-] ZINC000130718063 385277825 /nfs/dbraw/zinc/27/78/25/385277825.db2.gz VLALTXAQQJZBGT-JTQLQIEISA-N 0 3 239.315 1.604 20 10 BDCDHN Cc1ccc([O-])c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1 ZINC000191185899 385289583 /nfs/dbraw/zinc/28/95/83/385289583.db2.gz LFMPQMBZVVSUBL-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN Cc1ccc([O-])c(C[N@@H+]2CC[C@@H](C)[C@@H]2CO)c1 ZINC000191185899 385289589 /nfs/dbraw/zinc/28/95/89/385289589.db2.gz LFMPQMBZVVSUBL-YPMHNXCESA-N 0 3 235.327 1.903 20 10 BDCDHN CC(C)C[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000167056967 385296211 /nfs/dbraw/zinc/29/62/11/385296211.db2.gz UTEQTJKBUJFORV-NSHDSACASA-N 0 3 221.304 1.581 20 10 BDCDHN Nc1ccc(CCNC(=O)[C@@H]2CCCCN2)cc1 ZINC000131836663 385366057 /nfs/dbraw/zinc/36/60/57/385366057.db2.gz GHLSLZKBCURNCB-ZDUSSCGKSA-N 0 3 247.342 1.070 20 10 BDCDHN CN(C)C[C@H]1CC[N@H+](Cc2ccccc2[O-])C1 ZINC000179574661 385473602 /nfs/dbraw/zinc/47/36/02/385473602.db2.gz RCKDLEDGWWOTDM-GFCCVEGCSA-N 0 3 234.343 1.776 20 10 BDCDHN CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2[O-])C1 ZINC000179574661 385473605 /nfs/dbraw/zinc/47/36/05/385473605.db2.gz RCKDLEDGWWOTDM-GFCCVEGCSA-N 0 3 234.343 1.776 20 10 BDCDHN COCC[C@H](CO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000281541111 385678242 /nfs/dbraw/zinc/67/82/42/385678242.db2.gz IQXSFCLNWLHEFE-GHMZBOCLSA-N 0 3 239.315 1.440 20 10 BDCDHN C[N@H+](CCCO)Cc1cc(F)ccc1[O-] ZINC000281854185 385707437 /nfs/dbraw/zinc/70/74/37/385707437.db2.gz UTBRJKMJROOZMK-UHFFFAOYSA-N 0 3 213.252 1.346 20 10 BDCDHN C[N@@H+](CCCO)Cc1cc(F)ccc1[O-] ZINC000281854185 385707438 /nfs/dbraw/zinc/70/74/38/385707438.db2.gz UTBRJKMJROOZMK-UHFFFAOYSA-N 0 3 213.252 1.346 20 10 BDCDHN CC[C@H](C[NH2+]Cc1cccc(OC)c1[O-])OC ZINC000289926689 385731909 /nfs/dbraw/zinc/73/19/09/385731909.db2.gz VTYQZGNYRCPMLM-LLVKDONJSA-N 0 3 239.315 1.915 20 10 BDCDHN C[C@H]([NH2+][C@@H]1C=C[C@H](CO)C1)c1ccccc1[O-] ZINC000183573625 385772631 /nfs/dbraw/zinc/77/26/31/385772631.db2.gz SEAVYQWVJGZPRR-SDDRHHMPSA-N 0 3 233.311 1.980 20 10 BDCDHN C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1[O-] ZINC000183629672 385778754 /nfs/dbraw/zinc/77/87/54/385778754.db2.gz JOQGPRGPCPOCSW-GWCFXTLKSA-N 0 3 237.299 1.194 20 10 BDCDHN COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271066198 385782064 /nfs/dbraw/zinc/78/20/64/385782064.db2.gz CJTAKLVXLFAVJP-LLVKDONJSA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)[C@@H]1CC[N@@H+](Cc2cc(C)ccc2[O-])C1 ZINC000271066198 385782070 /nfs/dbraw/zinc/78/20/70/385782070.db2.gz CJTAKLVXLFAVJP-LLVKDONJSA-N 0 3 249.310 1.696 20 10 BDCDHN CC[C@H]1C[N@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000272355108 385898249 /nfs/dbraw/zinc/89/82/49/385898249.db2.gz DQWGERXUKJTDKS-TVQRCGJNSA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@H]1C[N@@H+](Cc2cc(F)ccc2[O-])C[C@H]1O ZINC000272355108 385898250 /nfs/dbraw/zinc/89/82/50/385898250.db2.gz DQWGERXUKJTDKS-TVQRCGJNSA-N 0 3 239.290 1.734 20 10 BDCDHN CC[C@@H]1C[N@H+](Cc2cccc(C)c2[O-])C[C@H]1O ZINC000272038309 385870182 /nfs/dbraw/zinc/87/01/82/385870182.db2.gz ZRIADYVQSWNTBG-DGCLKSJQSA-N 0 3 235.327 1.903 20 10 BDCDHN CC[C@@H]1C[N@@H+](Cc2cccc(C)c2[O-])C[C@H]1O ZINC000272038309 385870185 /nfs/dbraw/zinc/87/01/85/385870185.db2.gz ZRIADYVQSWNTBG-DGCLKSJQSA-N 0 3 235.327 1.903 20 10 BDCDHN COC[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1[O-] ZINC000234838686 386106349 /nfs/dbraw/zinc/10/63/49/386106349.db2.gz VASWKLQCASEKSW-MNOVXSKESA-N 0 3 239.315 1.359 20 10 BDCDHN C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1[O-] ZINC000227976229 386525035 /nfs/dbraw/zinc/52/50/35/386525035.db2.gz GVMJINDZUHHTOR-GWCFXTLKSA-N 0 3 237.299 1.022 20 10 BDCDHN COC[C@H](CCO)[NH2+][C@H](C)c1ccccc1[O-] ZINC000228793936 386617671 /nfs/dbraw/zinc/61/76/71/386617671.db2.gz SPWVTWJNSOXVAH-MNOVXSKESA-N 0 3 239.315 1.440 20 10 BDCDHN CC[C@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000289984252 387108050 /nfs/dbraw/zinc/10/80/50/387108050.db2.gz ZZAYYBAPPFUZAN-LLVKDONJSA-N 0 3 209.289 1.907 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000077900078 387918477 /nfs/dbraw/zinc/91/84/77/387918477.db2.gz WNSVWDFWZLIPMU-LBPRGKRZSA-N 0 3 248.326 1.411 20 10 BDCDHN Cc1ccc([C@H](C)[NH2+]CCO)c([O-])c1C ZINC000134911063 388481425 /nfs/dbraw/zinc/48/14/25/388481425.db2.gz KUYMPOPFDIGABL-JTQLQIEISA-N 0 3 209.289 1.652 20 10 BDCDHN Cc1ccc([O-])c([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000296052679 388416592 /nfs/dbraw/zinc/41/65/92/388416592.db2.gz VGJXPMAPCXAGSA-IRUJWGPZSA-N 0 3 237.299 1.111 20 10 BDCDHN C[C@@H](CCO)C[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297529343 388429217 /nfs/dbraw/zinc/42/92/17/388429217.db2.gz DLRNSVXYGKQESH-JQWIXIFHSA-N 0 3 235.327 1.988 20 10 BDCDHN CC(C)OCC[NH2+]Cc1ccccc1[O-] ZINC000134123822 167241214 /nfs/dbraw/zinc/24/12/14/167241214.db2.gz ZWWWQEVQLQYSKJ-UHFFFAOYSA-N 0 3 209.289 1.907 20 10 BDCDHN CC(C)NC(=O)C[NH2+][C@H](C)c1ccccc1[O-] ZINC000036781641 167061265 /nfs/dbraw/zinc/06/12/65/167061265.db2.gz JPFMCVPMJOABMV-SNVBAGLBSA-N 0 3 236.315 1.567 20 10 BDCDHN CCNC(=O)[C@H](C)NCc1cccc(C)c1O ZINC000127869491 170095314 /nfs/dbraw/zinc/09/53/14/170095314.db2.gz QHKIFUIRJYYHID-JTQLQIEISA-N 0 3 236.315 1.315 20 10 BDCDHN CC[C@H](C)[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000169816531 171396331 /nfs/dbraw/zinc/39/63/31/171396331.db2.gz OHOVGZVHSMDYTL-KWQFWETISA-N 0 3 221.304 1.581 20 10 BDCDHN CNC(=O)CCC[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000297589331 173243939 /nfs/dbraw/zinc/24/39/39/173243939.db2.gz HOEPDKUFLZIJQC-NSHDSACASA-N 0 3 248.326 1.495 20 10 BDCDHN CNC(=O)[C@H](C)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000042561809 173303052 /nfs/dbraw/zinc/30/30/52/173303052.db2.gz JHTVXEZBDCOCPM-QWRGUYRKSA-N 0 3 249.358 1.538 20 10 BDCDHN COCCC[NH2+]Cc1cc(OC)ccc1[O-] ZINC000020143038 174246962 /nfs/dbraw/zinc/24/69/62/174246962.db2.gz CWSXKYCTBMSDHD-UHFFFAOYSA-N 0 3 225.288 1.527 20 10 BDCDHN COCCC[NH2+]Cc1cccc(OC)c1[O-] ZINC000020142381 174248441 /nfs/dbraw/zinc/24/84/41/174248441.db2.gz NMADKNFDXSKFFL-UHFFFAOYSA-N 0 3 225.288 1.527 20 10 BDCDHN COc1ccc([O-])c(C[N@H+]2CC[C@H](OC)C2)c1 ZINC000234891114 175157024 /nfs/dbraw/zinc/15/70/24/175157024.db2.gz RQGDNTRCNHMSOP-LBPRGKRZSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+]2CC[C@H](OC)C2)c1 ZINC000234891114 175157025 /nfs/dbraw/zinc/15/70/25/175157025.db2.gz RQGDNTRCNHMSOP-LBPRGKRZSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc(O)c(CN2CC[C@H](OC)C2)c1 ZINC000234891114 175157026 /nfs/dbraw/zinc/15/70/26/175157026.db2.gz RQGDNTRCNHMSOP-LBPRGKRZSA-N 0 3 237.299 1.622 20 10 BDCDHN COc1ccc([O-])c(C[N@H+](C)C[C@@H](C)O)c1 ZINC000130695426 175157233 /nfs/dbraw/zinc/15/72/33/175157233.db2.gz NTARVJUBXJIWQJ-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN COc1ccc([O-])c(C[N@@H+](C)C[C@@H](C)O)c1 ZINC000130695426 175157235 /nfs/dbraw/zinc/15/72/35/175157235.db2.gz NTARVJUBXJIWQJ-SECBINFHSA-N 0 3 225.288 1.213 20 10 BDCDHN COc1ccc([O-])c(C[NH2+]C[C@H](C)OC)c1 ZINC000191204764 175159056 /nfs/dbraw/zinc/15/90/56/175159056.db2.gz GUQZTYYIHCMZGT-VIFPVBQESA-N 0 3 225.288 1.525 20 10 BDCDHN COc1ccc([O-])c([C@@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000085983766 175160164 /nfs/dbraw/zinc/16/01/64/175160164.db2.gz HXWSWCHZYGUJAC-NXEZZACHSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc(C[NH2+]C2(CO)CCC2)c1[O-] ZINC000133165525 175263740 /nfs/dbraw/zinc/26/37/40/175263740.db2.gz HTSYNKSSXSHCQG-UHFFFAOYSA-N 0 3 237.299 1.405 20 10 BDCDHN COc1cccc(C[NH2+]C[C@@H](C)OC)c1[O-] ZINC000191201259 175264032 /nfs/dbraw/zinc/26/40/32/175264032.db2.gz AHTLKBZOCFERLP-SECBINFHSA-N 0 3 225.288 1.525 20 10 BDCDHN COc1cccc(C[NH2+]CCCCCO)c1[O-] ZINC000083367179 175264598 /nfs/dbraw/zinc/26/45/98/175264598.db2.gz SHDUTMMWHVWHRR-UHFFFAOYSA-N 0 3 239.315 1.653 20 10 BDCDHN COc1cccc(C[NH2+][C@H]2CCOC2)c1[O-] ZINC000087784617 175268253 /nfs/dbraw/zinc/26/82/53/175268253.db2.gz YZAXLUWBVRWCBL-JTQLQIEISA-N 0 3 223.272 1.279 20 10 BDCDHN CCC[NH2+]Cc1ccc(OC)c(OC)c1[O-] ZINC000892443520 582888184 /nfs/dbraw/zinc/88/81/84/582888184.db2.gz HHZSAFNEOGBVSF-UHFFFAOYSA-N 0 3 225.288 1.909 20 10 BDCDHN COc1cccc(CN2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783739759 582961804 /nfs/dbraw/zinc/96/18/04/582961804.db2.gz HTIFDQVGURGVGC-SMDDNHRTSA-N 0 3 249.310 1.215 20 10 BDCDHN Cc1cccc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c1[O-] ZINC000814173155 583342803 /nfs/dbraw/zinc/34/28/03/583342803.db2.gz HDIXITNLYCAHNU-GXTWGEPZSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc(C[N@@H+]2CC[C@H]3CN(C)C[C@H]32)c1[O-] ZINC000814173155 583342805 /nfs/dbraw/zinc/34/28/05/583342805.db2.gz HDIXITNLYCAHNU-GXTWGEPZSA-N 0 3 246.354 1.837 20 10 BDCDHN [O-]c1ccccc1C[N@H+]1CCSC[C@@H]1CO ZINC000877780339 583347543 /nfs/dbraw/zinc/34/75/43/583347543.db2.gz NCOULJUJZNYDAR-NSHDSACASA-N 0 3 239.340 1.302 20 10 BDCDHN [O-]c1ccccc1C[N@@H+]1CCSC[C@@H]1CO ZINC000877780339 583347545 /nfs/dbraw/zinc/34/75/45/583347545.db2.gz NCOULJUJZNYDAR-NSHDSACASA-N 0 3 239.340 1.302 20 10 BDCDHN C[NH+](C)C1CC(NC(=O)c2cc([O-])cs2)C1 ZINC000857231215 588896999 /nfs/dbraw/zinc/89/69/99/588896999.db2.gz ZISZQRXMXLWLAN-UHFFFAOYSA-N 0 3 240.328 1.276 20 10 BDCDHN C[C@@H]([NH2+]C1CCN(C=O)CC1)c1ccccc1[O-] ZINC000895852353 583736609 /nfs/dbraw/zinc/73/66/09/583736609.db2.gz SSRCNWDAUAIOLE-LLVKDONJSA-N 0 3 248.326 1.664 20 10 BDCDHN COCC1C[NH+](Cc2ccccc2[O-])C1 ZINC000895971267 583756466 /nfs/dbraw/zinc/75/64/66/583756466.db2.gz KMUQSNLBUIRPPD-UHFFFAOYSA-N 0 3 207.273 1.470 20 10 BDCDHN C[C@H]1C[N@@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000897684465 584040527 /nfs/dbraw/zinc/04/05/27/584040527.db2.gz PPMTWQJDBJEWHT-CABZTGNLSA-N 0 3 207.273 1.205 20 10 BDCDHN C[C@H]1C[N@H+](Cc2ccccc2[O-])C[C@@H]1O ZINC000897684465 584040526 /nfs/dbraw/zinc/04/05/26/584040526.db2.gz PPMTWQJDBJEWHT-CABZTGNLSA-N 0 3 207.273 1.205 20 10 BDCDHN NC1(C[NH2+]Cc2cc(F)ccc2[O-])CCC1 ZINC000841049243 584124950 /nfs/dbraw/zinc/12/49/50/584124950.db2.gz PNINAMWAINBNMM-UHFFFAOYSA-N 0 3 224.279 1.502 20 10 BDCDHN NC1(C[NH2+][C@@H]2CCc3cccc([O-])c32)CC1 ZINC000902406532 584573840 /nfs/dbraw/zinc/57/38/40/584573840.db2.gz NKMBQZOPWHPIGC-SNVBAGLBSA-N 0 3 218.300 1.460 20 10 BDCDHN CC[C@H]([NH2+]CC1(N)CC1)c1ccccc1[O-] ZINC000902408626 584575379 /nfs/dbraw/zinc/57/53/79/584575379.db2.gz ZRSDXVQBWMIQRV-NSHDSACASA-N 0 3 220.316 1.924 20 10 BDCDHN C[C@H](N)[C@H](C)[NH2+]Cc1cc(F)ccc1[O-] ZINC000841076376 584742849 /nfs/dbraw/zinc/74/28/49/584742849.db2.gz GPROOTBQXCIIBI-YUMQZZPRSA-N 0 3 212.268 1.357 20 10 BDCDHN Cc1cc(O)c(CN[C@@H]2CNOC2)cc1C ZINC000904421511 584881863 /nfs/dbraw/zinc/88/18/63/584881863.db2.gz HQUCCIZCJWSDNU-LLVKDONJSA-N 0 3 222.288 1.002 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]CC1(O)CCC1 ZINC000732229294 584934877 /nfs/dbraw/zinc/93/48/77/584934877.db2.gz OWCJFEXGQSAUQV-UHFFFAOYSA-N 0 3 237.299 1.405 20 10 BDCDHN CO[C@@H]1COC[C@@H]1NCc1cc(C)ccc1O ZINC000839193600 585097909 /nfs/dbraw/zinc/09/79/09/585097909.db2.gz UBRLGSMQOKPAMB-WCQYABFASA-N 0 3 237.299 1.204 20 10 BDCDHN CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(C)ccc1[O-] ZINC000839193600 585097910 /nfs/dbraw/zinc/09/79/10/585097910.db2.gz UBRLGSMQOKPAMB-WCQYABFASA-N 0 3 237.299 1.204 20 10 BDCDHN O=C1NCCC[C@@H]1C[NH2+]Cc1ccccc1[O-] ZINC000839196651 585098783 /nfs/dbraw/zinc/09/87/83/585098783.db2.gz WRUOOWZWTLRZAW-LLVKDONJSA-N 0 3 234.299 1.008 20 10 BDCDHN [NH3+][C@H]1CCN(Cc2cc(F)ccc2[O-])C1 ZINC000219836505 585149548 /nfs/dbraw/zinc/14/95/48/585149548.db2.gz IEILJIJOVPAZBY-JTQLQIEISA-N 0 3 210.252 1.064 20 10 BDCDHN COC(=O)/C(C)=C\CN(C)Cc1ccccc1O ZINC000748815557 585196676 /nfs/dbraw/zinc/19/66/76/585196676.db2.gz BDOCVLHGXSKWEU-FLIBITNWSA-N 0 3 249.310 1.943 20 10 BDCDHN Cc1cc(CNCc2ccccc2O)ncn1 ZINC000756989014 585326148 /nfs/dbraw/zinc/32/61/48/585326148.db2.gz AUUFHCBNQFWVJM-UHFFFAOYSA-N 0 3 229.283 1.780 20 10 BDCDHN C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccccc1[O-] ZINC000768400929 585537906 /nfs/dbraw/zinc/53/79/06/585537906.db2.gz BODBABPFVDYDNJ-LLVKDONJSA-N 0 3 245.326 1.847 20 10 BDCDHN C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2[O-])CCN1C ZINC000775985862 585688920 /nfs/dbraw/zinc/68/89/20/585688920.db2.gz PGZKXTOGCMQLMF-NEPJUHHUSA-N 0 3 234.343 1.917 20 10 BDCDHN C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2[O-])CCN1C ZINC000775985862 585688921 /nfs/dbraw/zinc/68/89/21/585688921.db2.gz PGZKXTOGCMQLMF-NEPJUHHUSA-N 0 3 234.343 1.917 20 10 BDCDHN COc1ccc([O-])c(C[NH2+][C@H](CO)C2CC2)c1 ZINC000776176980 585691855 /nfs/dbraw/zinc/69/18/55/585691855.db2.gz HDTFAGCSZVLGJJ-GFCCVEGCSA-N 0 3 237.299 1.261 20 10 BDCDHN Cc1ccc([O-])c(C[NH2+]C2(CC(N)=O)CCC2)c1 ZINC000779364674 585752639 /nfs/dbraw/zinc/75/26/39/585752639.db2.gz DPYAOPXPMROMFI-UHFFFAOYSA-N 0 3 248.326 1.588 20 10 BDCDHN COc1cc(O)c(CN2CC(C)C2)cc1OC ZINC000802651100 586307407 /nfs/dbraw/zinc/30/74/07/586307407.db2.gz IQVBXOQQZZEEIT-UHFFFAOYSA-N 0 3 237.299 1.861 20 10 BDCDHN CC(=O)C(=O)CSCCN(C(C)C)C(C)C ZINC000808029022 586459321 /nfs/dbraw/zinc/45/93/21/586459321.db2.gz PDFBPXLINGOKPT-UHFFFAOYSA-N 0 3 245.388 1.997 20 10 BDCDHN C[C@@H](O)[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000808425213 586472075 /nfs/dbraw/zinc/47/20/75/586472075.db2.gz QRBFPLJEVZLJFJ-NXEZZACHSA-N 0 3 240.322 1.751 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)C1CC1 ZINC000809753148 586518072 /nfs/dbraw/zinc/51/80/72/586518072.db2.gz ZUNXYDPLBQJDSY-CYBMUJFWSA-N 0 3 239.290 1.734 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C[C@@H](O)C1CC1 ZINC000809753148 586518074 /nfs/dbraw/zinc/51/80/74/586518074.db2.gz ZUNXYDPLBQJDSY-CYBMUJFWSA-N 0 3 239.290 1.734 20 10 BDCDHN C[C@@H]([NH2+]CCN)c1cc(F)cc(F)c1[O-] ZINC000817934053 586843507 /nfs/dbraw/zinc/84/35/07/586843507.db2.gz AZWOYPLNDVNFLV-ZCFIWIBFSA-N 0 3 216.231 1.280 20 10 BDCDHN C[C@@H](NCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817934053 586843509 /nfs/dbraw/zinc/84/35/09/586843509.db2.gz AZWOYPLNDVNFLV-ZCFIWIBFSA-N 0 3 216.231 1.280 20 10 BDCDHN CNCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817952449 586848202 /nfs/dbraw/zinc/84/82/02/586848202.db2.gz QAINUKMRODSFQO-MRVPVSSYSA-N 0 3 212.268 1.401 20 10 BDCDHN C[NH2+]CCN[C@H](C)c1ccc(F)cc1[O-] ZINC000817952449 586848203 /nfs/dbraw/zinc/84/82/03/586848203.db2.gz QAINUKMRODSFQO-MRVPVSSYSA-N 0 3 212.268 1.401 20 10 BDCDHN C[C@H](NC1C[NH2+]C1)c1cc(Cl)ccc1[O-] ZINC000817955483 586850090 /nfs/dbraw/zinc/85/00/90/586850090.db2.gz BWTODNNLFXBEDZ-ZETCQYMHSA-N 0 3 226.707 1.668 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](N)C1CC1)c1ccc(F)cc1[O-] ZINC000817965928 586855064 /nfs/dbraw/zinc/85/50/64/586855064.db2.gz XCTLLZKVBKZMII-PELKAZGASA-N 0 3 238.306 1.919 20 10 BDCDHN CC[C@H]([NH2+][C@@H](C)CN)c1ccc(F)cc1[O-] ZINC000817970190 586857607 /nfs/dbraw/zinc/85/76/07/586857607.db2.gz NSIQBHHHRDHMIB-KWQFWETISA-N 0 3 226.295 1.919 20 10 BDCDHN C[C@@H]([NH2+]C[C@H](C)N)c1cc(F)ccc1[O-] ZINC000817972760 586859828 /nfs/dbraw/zinc/85/98/28/586859828.db2.gz OIOFJEYESTZWBM-JGVFFNPUSA-N 0 3 212.268 1.529 20 10 BDCDHN C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccccc1[O-] ZINC000817976848 586860383 /nfs/dbraw/zinc/86/03/83/586860383.db2.gz VLXBKAZERBGAKS-VWYCJHECSA-N 0 3 238.306 1.743 20 10 BDCDHN CC[C@H]([NH2+]C[C@@H](C)N)c1ccccc1[O-] ZINC000817974003 586860527 /nfs/dbraw/zinc/86/05/27/586860527.db2.gz XIPRRAVLJKVWCY-KOLCDFICSA-N 0 3 208.305 1.780 20 10 BDCDHN C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1[O-] ZINC000817977639 586862125 /nfs/dbraw/zinc/86/21/25/586862125.db2.gz MFCQYIGPYXNUKX-UVRHIYEWSA-N 0 3 236.290 1.400 20 10 BDCDHN COc1ccc(O)c(CN2CC3(CC3)C2)c1 ZINC000824533113 587273590 /nfs/dbraw/zinc/27/35/90/587273590.db2.gz AWLKHYCYQDKTLW-UHFFFAOYSA-N 0 3 219.284 1.997 20 10 BDCDHN C[N@H+](Cc1cc(F)ccc1[O-])C1(CO)CC1 ZINC000827903782 587408839 /nfs/dbraw/zinc/40/88/39/587408839.db2.gz OVWLLVZVWOPFHP-UHFFFAOYSA-N 0 3 225.263 1.488 20 10 BDCDHN C[N@@H+](Cc1cc(F)ccc1[O-])C1(CO)CC1 ZINC000827903782 587408840 /nfs/dbraw/zinc/40/88/40/587408840.db2.gz OVWLLVZVWOPFHP-UHFFFAOYSA-N 0 3 225.263 1.488 20 10 BDCDHN C[C@]1(C[NH2+]Cc2ccccc2[O-])CCC(=O)N1 ZINC000835059828 587780021 /nfs/dbraw/zinc/78/00/21/587780021.db2.gz DXAFVEJOFDEYCU-CYBMUJFWSA-N 0 3 234.299 1.151 20 10 BDCDHN N[C@H](C[NH2+]Cc1cc(Cl)ccc1[O-])C1CC1 ZINC000841048156 587939198 /nfs/dbraw/zinc/93/91/98/587939198.db2.gz CGZUBNBRFSCLSK-LLVKDONJSA-N 0 3 240.734 1.873 20 10 BDCDHN Cc1cc([O-])c(CN[C@H](C)C[NH3+])c(Cl)c1 ZINC000841059757 587942184 /nfs/dbraw/zinc/94/21/84/587942184.db2.gz BKBVHYVYIMNNAD-MRVPVSSYSA-N 0 3 228.723 1.791 20 10 BDCDHN CC[C@H](N)C[NH2+]Cc1cccc(F)c1[O-] ZINC000841071394 587943263 /nfs/dbraw/zinc/94/32/63/587943263.db2.gz FTAHEMBXOHZEQD-VIFPVBQESA-N 0 3 212.268 1.358 20 10 BDCDHN CC[C@H]([NH3+])CNCc1cccc(F)c1[O-] ZINC000841071394 587943264 /nfs/dbraw/zinc/94/32/64/587943264.db2.gz FTAHEMBXOHZEQD-VIFPVBQESA-N 0 3 212.268 1.358 20 10 BDCDHN CO[C@@H]1COC[C@H]1[NH2+][C@H]1CCc2cccc([O-])c21 ZINC000842912777 588071605 /nfs/dbraw/zinc/07/16/05/588071605.db2.gz WEQDVSWZTPHSTD-DMDPSCGWSA-N 0 3 249.310 1.383 20 10 BDCDHN COc1cccc([O-])c1CN(C)[C@H]1CC[NH2+]C1 ZINC000843049599 588076824 /nfs/dbraw/zinc/07/68/24/588076824.db2.gz SJPWJGGOTJZNNV-JTQLQIEISA-N 0 3 236.315 1.195 20 10 BDCDHN CC1([NH3+])CCN(Cc2cccc(F)c2[O-])CC1 ZINC000843108014 588081750 /nfs/dbraw/zinc/08/17/50/588081750.db2.gz QUYUVUKVUBXBQN-UHFFFAOYSA-N 0 3 238.306 1.845 20 10 BDCDHN Nc1ccc(NC(=O)C2(N)CCCC2)cc1 ZINC000843294795 588098117 /nfs/dbraw/zinc/09/81/17/588098117.db2.gz JVHBJNJPJOVIOF-UHFFFAOYSA-N 0 3 219.288 1.479 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]CCCO)c1[O-] ZINC000846138541 588258307 /nfs/dbraw/zinc/25/83/07/588258307.db2.gz WCVVVJPQWXMNOK-SECBINFHSA-N 0 3 225.288 1.434 20 10 BDCDHN COc1cccc([C@@H](C)[NH2+]CC(C)(C)O)c1[O-] ZINC000846148191 588258626 /nfs/dbraw/zinc/25/86/26/588258626.db2.gz YBHUZFSEMVBQDK-SECBINFHSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@H](C)CCO)c1[O-] ZINC000846148457 588258843 /nfs/dbraw/zinc/25/88/43/588258843.db2.gz ZQIAZJMAXXYUFA-ZJUUUORDSA-N 0 3 239.315 1.822 20 10 BDCDHN COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1[O-] ZINC000846168812 588259135 /nfs/dbraw/zinc/25/91/35/588259135.db2.gz LZMMZDFMZMCHJO-LPEHRKFASA-N 0 3 237.299 1.575 20 10 BDCDHN C[C@@H]1C[C@@H]([NH3+])CCN1Cc1cccc(F)c1[O-] ZINC000846701859 588283810 /nfs/dbraw/zinc/28/38/10/588283810.db2.gz DUANCMORAXKYFR-KOLCDFICSA-N 0 3 238.306 1.843 20 10 BDCDHN CCc1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000848912256 588419687 /nfs/dbraw/zinc/41/96/87/588419687.db2.gz CTWDIWACXGIERZ-WDNDVIMCSA-N 0 3 247.338 1.625 20 10 BDCDHN CCc1cccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1[O-] ZINC000848912256 588419689 /nfs/dbraw/zinc/41/96/89/588419689.db2.gz CTWDIWACXGIERZ-WDNDVIMCSA-N 0 3 247.338 1.625 20 10 BDCDHN NC(=[NH2+])NCc1cc(Br)ccc1[O-] ZINC000849049106 588451472 /nfs/dbraw/zinc/45/14/72/588451472.db2.gz DNUBSFPWKRIQNN-UHFFFAOYSA-N 0 3 244.092 1.138 20 10 BDCDHN [O-]c1ccccc1C[NH2+]C[C@H](CO)CC1CC1 ZINC000850386583 588542558 /nfs/dbraw/zinc/54/25/58/588542558.db2.gz MHDJLWJVYYIXOO-GFCCVEGCSA-N 0 3 235.327 1.890 20 10 BDCDHN CC[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(C)cc1[O-] ZINC000850481253 588551826 /nfs/dbraw/zinc/55/18/26/588551826.db2.gz IFNAYRGLZOGLSI-NEPJUHHUSA-N 0 3 248.326 1.630 20 10 BDCDHN CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccccc1[O-] ZINC000850579043 588561462 /nfs/dbraw/zinc/56/14/62/588561462.db2.gz RFOIFYXRJDVRLC-CKYFFXLPSA-N 0 3 221.300 1.956 20 10 BDCDHN C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000850578284 588561720 /nfs/dbraw/zinc/56/17/20/588561720.db2.gz IYUCEQYNSRSHPF-HGNGGELXSA-N 0 3 225.263 1.705 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(F)ccc1[O-] ZINC000850578285 588561871 /nfs/dbraw/zinc/56/18/71/588561871.db2.gz IYUCEQYNSRSHPF-SZEHBUNVSA-N 0 3 225.263 1.705 20 10 BDCDHN [O-]c1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@@H]3C1)OCO2 ZINC000862440000 589212985 /nfs/dbraw/zinc/21/29/85/589212985.db2.gz DCRHELDULOQMAF-DTORHVGOSA-N 0 3 233.267 1.573 20 10 BDCDHN [O-]c1cc2c(cc1C[N@H+]1C[C@@H]3C[C@@H]3C1)OCO2 ZINC000862440000 589212986 /nfs/dbraw/zinc/21/29/86/589212986.db2.gz DCRHELDULOQMAF-DTORHVGOSA-N 0 3 233.267 1.573 20 10 BDCDHN CCc1cccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1[O-] ZINC000862483496 589217147 /nfs/dbraw/zinc/21/71/47/589217147.db2.gz OTLULYHSWDKIPL-HAQNSBGRSA-N 0 3 248.326 1.308 20 10 BDCDHN C[C@@H]1CC[C@@H](NCc2cc(F)ccc2[O-])C[NH2+]1 ZINC000863484628 589293105 /nfs/dbraw/zinc/29/31/05/589293105.db2.gz KDHJOHLQDZFPQV-BXKDBHETSA-N 0 3 238.306 1.761 20 10 BDCDHN COc1ccc([O-])c(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)c1 ZINC000864462051 589369105 /nfs/dbraw/zinc/36/91/05/589369105.db2.gz RCQWKHIPLSHDHQ-GZMMTYOYSA-N 0 3 249.314 1.423 20 10 BDCDHN C[C@H]([NH2+]Cc1ccccc1[O-])[C@H](O)C(F)(F)F ZINC000865711768 589458040 /nfs/dbraw/zinc/45/80/40/589458040.db2.gz QIGBYQYMOODXPY-XVKPBYJWSA-N 0 3 249.232 1.794 20 10 BDCDHN CCOc1cccc(C[NH2+]CCCOC)c1[O-] ZINC000020142375 590078387 /nfs/dbraw/zinc/07/83/87/590078387.db2.gz BIUVCAYKMDKWBP-UHFFFAOYSA-N 0 3 239.315 1.917 20 10 BDCDHN Cc1cccc([O-])c1C[NH+]1CCC(C(N)=O)CC1 ZINC000876526815 590208861 /nfs/dbraw/zinc/20/88/61/590208861.db2.gz GVODVRSWIVJTQC-UHFFFAOYSA-N 0 3 248.326 1.398 20 10 BDCDHN COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876594914 590219612 /nfs/dbraw/zinc/21/96/12/590219612.db2.gz TXJZDMDYSAJRAT-LBPRGKRZSA-N 0 3 249.310 1.696 20 10 BDCDHN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C)cc2[O-])C1 ZINC000876594914 590219613 /nfs/dbraw/zinc/21/96/13/590219613.db2.gz TXJZDMDYSAJRAT-LBPRGKRZSA-N 0 3 249.310 1.696 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCn1ccnc1 ZINC000876891596 590255038 /nfs/dbraw/zinc/25/50/38/590255038.db2.gz BUXYAORGUGBYAB-UHFFFAOYSA-N 0 3 231.299 1.687 20 10 BDCDHN CC(=O)NCCC[NH2+]Cc1ccc(C)cc1[O-] ZINC000876913484 590256360 /nfs/dbraw/zinc/25/63/60/590256360.db2.gz RQKVMDXXCZRUNG-UHFFFAOYSA-N 0 3 236.315 1.316 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](C)CCO)c([O-])c1 ZINC000877052116 590274767 /nfs/dbraw/zinc/27/47/67/590274767.db2.gz RLDYHBHHSROUQP-JTQLQIEISA-N 0 3 209.289 1.561 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]CCC[S@](C)=O ZINC000877052458 590275448 /nfs/dbraw/zinc/27/54/48/590275448.db2.gz XGFJEHVABHLVGG-INIZCTEOSA-N 0 3 241.356 1.559 20 10 BDCDHN Cc1ccc(C[NH2+]C[C@@H](C)CCO)c([O-])c1 ZINC000877068498 590277165 /nfs/dbraw/zinc/27/71/65/590277165.db2.gz XSZMJNWGUHYVHD-NSHDSACASA-N 0 3 223.316 1.809 20 10 BDCDHN CN(C(=O)[C@@H](N)CC(F)F)c1ccc(N)cc1 ZINC000877077751 590279162 /nfs/dbraw/zinc/27/91/62/590279162.db2.gz SSMMNQPZYHSYPM-VIFPVBQESA-N 0 3 243.257 1.214 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](CO)CC2CC2)c([O-])c1 ZINC000877117535 590288286 /nfs/dbraw/zinc/28/82/86/590288286.db2.gz GRRUUMDXVJZOOT-CYBMUJFWSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1ccc(C[NH2+][C@@](C)(CO)C2CC2)c([O-])c1 ZINC000877159040 590293848 /nfs/dbraw/zinc/29/38/48/590293848.db2.gz REYSKXLKNXTSGX-AWEZNQCLSA-N 0 3 235.327 1.951 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)C[C@H](C)O ZINC000877320727 590315728 /nfs/dbraw/zinc/31/57/28/590315728.db2.gz SMVGCDMLSBGWNO-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)C[C@H](C)O ZINC000877320727 590315731 /nfs/dbraw/zinc/31/57/31/590315731.db2.gz SMVGCDMLSBGWNO-JTQLQIEISA-N 0 3 209.289 1.513 20 10 BDCDHN Cc1ccc(C[NH2+]CCC[C@H](C)O)c([O-])c1 ZINC000877484905 590334832 /nfs/dbraw/zinc/33/48/32/590334832.db2.gz SKEYAEQMCHZWFE-NSHDSACASA-N 0 3 223.316 1.951 20 10 BDCDHN Cc1ccc(C[NH2+][C@@H](CO)CC(F)F)c([O-])c1 ZINC000877479306 590336593 /nfs/dbraw/zinc/33/65/93/590336593.db2.gz UYPUWOUVDCGYRT-SNVBAGLBSA-N 0 3 245.269 1.806 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CCOCCO ZINC000877502641 590342489 /nfs/dbraw/zinc/34/24/89/590342489.db2.gz OTPJQQYSTCZDJJ-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CCOCCO ZINC000877502641 590342491 /nfs/dbraw/zinc/34/24/91/590342491.db2.gz OTPJQQYSTCZDJJ-UHFFFAOYSA-N 0 3 239.315 1.141 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)CCC(N)=O ZINC000877520811 590345603 /nfs/dbraw/zinc/34/56/03/590345603.db2.gz IONCPGMLEWQERC-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)CCC(N)=O ZINC000877520811 590345605 /nfs/dbraw/zinc/34/56/05/590345605.db2.gz IONCPGMLEWQERC-UHFFFAOYSA-N 0 3 222.288 1.008 20 10 BDCDHN COC[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1[O-] ZINC000877550147 590354732 /nfs/dbraw/zinc/35/47/32/590354732.db2.gz MQZGNNDDODYNTD-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN COC[C@@H]1CC[N@H+]1Cc1ccc(C)cc1[O-] ZINC000877550147 590354736 /nfs/dbraw/zinc/35/47/36/590354736.db2.gz MQZGNNDDODYNTD-LBPRGKRZSA-N 0 3 221.300 1.921 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000877568197 590361529 /nfs/dbraw/zinc/36/15/29/590361529.db2.gz ZTUZVOAUILEVCQ-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000877568197 590361532 /nfs/dbraw/zinc/36/15/32/590361532.db2.gz ZTUZVOAUILEVCQ-OCCSQVGLSA-N 0 3 246.354 1.837 20 10 BDCDHN CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C)cc1[O-] ZINC000877573635 590362632 /nfs/dbraw/zinc/36/26/32/590362632.db2.gz SWNYFNRLBRKRSB-JTQLQIEISA-N 0 3 236.315 1.315 20 10 BDCDHN Cc1cccc([O-])c1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000877578058 590363623 /nfs/dbraw/zinc/36/36/23/590363623.db2.gz SFVXDHVIUVICQL-AWEZNQCLSA-N 0 3 248.326 1.459 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+](C)[C@H](C)CCO ZINC000877614610 590373837 /nfs/dbraw/zinc/37/38/37/590373837.db2.gz FRRYHKXSPRQMCP-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+](C)[C@H](C)CCO ZINC000877614610 590373838 /nfs/dbraw/zinc/37/38/38/590373838.db2.gz FRRYHKXSPRQMCP-LLVKDONJSA-N 0 3 223.316 1.903 20 10 BDCDHN Cc1cccc([O-])c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000877631831 590377871 /nfs/dbraw/zinc/37/78/71/590377871.db2.gz VXXAVTITFAEUIB-SMDDNHRTSA-N 0 3 233.311 1.657 20 10 BDCDHN Cc1cccc([O-])c1C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000877631831 590377873 /nfs/dbraw/zinc/37/78/73/590377873.db2.gz VXXAVTITFAEUIB-SMDDNHRTSA-N 0 3 233.311 1.657 20 10 BDCDHN CN(Cc1ccccc1[O-])C[C@@H]1C[C@H](F)C[NH2+]1 ZINC000883420386 591655882 /nfs/dbraw/zinc/65/58/82/591655882.db2.gz KCQPBVLXVKINBU-RYUDHWBXSA-N 0 3 238.306 1.524 20 10 BDCDHN CCOc1ccc(C[NH2+][C@]23C[C@H]2COC3)c([O-])c1 ZINC000886201929 592174566 /nfs/dbraw/zinc/17/45/66/592174566.db2.gz WTGKDGMOQCSPKS-FZMZJTMJSA-N 0 3 249.310 1.669 20 10 BDCDHN N[C@@H]1CCCC[C@H]1[NH2+]Cc1ccccc1[O-] ZINC000138446178 592275754 /nfs/dbraw/zinc/27/57/54/592275754.db2.gz QYCOIDDSGOZUPC-VXGBXAGGSA-N 0 3 220.316 1.752 20 10 BDCDHN CC1(C)COC[C@@H]1[NH2+]Cc1ccccc1[O-] ZINC000313109055 634451923 /nfs/dbraw/zinc/45/19/23/634451923.db2.gz CYHSRBWSHFTSGX-LBPRGKRZSA-N 0 3 221.300 1.907 20 10 BDCDHN Cc1ccc(CN2CCN(C)CC2)c(O)c1 ZINC000258232705 634601394 /nfs/dbraw/zinc/60/13/94/634601394.db2.gz YUPBKLBVZXHXQL-UHFFFAOYSA-N 0 3 220.316 1.448 20 10 BDCDHN CC[C@@H]([NH2+][C@H]1CNOC1)c1ccccc1[O-] ZINC000925869461 635579254 /nfs/dbraw/zinc/57/92/54/635579254.db2.gz LOZOWNZFEZICPJ-GXSJLCMTSA-N 0 3 222.288 1.336 20 10 BDCDHN CC[C@@H]([NH2+][C@H](C)c1ccccc1[O-])C(N)=O ZINC000310005225 634066672 /nfs/dbraw/zinc/06/66/72/634066672.db2.gz GIZSQSNYJJPFJH-PSASIEDQSA-N 0 3 222.288 1.307 20 10 BDCDHN Cc1ccc([C@H](C)N[C@@H]2CNOC2)c(O)c1 ZINC000925862610 635560854 /nfs/dbraw/zinc/56/08/54/635560854.db2.gz VXHUSCCRAOVAFK-VHSXEESVSA-N 0 3 222.288 1.255 20 10 BDCDHN CC[C@@H]([NH2+][C@@H]1CNOC1)c1ccccc1[O-] ZINC000925862137 635561037 /nfs/dbraw/zinc/56/10/37/635561037.db2.gz LOZOWNZFEZICPJ-MWLCHTKSSA-N 0 3 222.288 1.336 20 10 BDCDHN C[C@H](N[C@H]1CNOC1)c1cc(F)ccc1O ZINC000925870456 635582517 /nfs/dbraw/zinc/58/25/17/635582517.db2.gz WTEYOXGPHMYZLW-CBAPKCEASA-N 0 3 226.251 1.085 20 10 BDCDHN C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccccc1[O-] ZINC000927151665 637061072 /nfs/dbraw/zinc/06/10/72/637061072.db2.gz YMLXWCVQSWSBQC-GMTAPVOTSA-N 0 3 221.300 1.814 20 10 BDCDHN [NH3+]C1(CNCc2c([O-])ccc(Cl)c2F)CC1 ZINC000904443158 637410571 /nfs/dbraw/zinc/41/05/71/637410571.db2.gz HSGPPSAVINPKBP-UHFFFAOYSA-N 0 3 244.697 1.766 20 10 BDCDHN NC1(C[NH2+]Cc2c([O-])ccc(Cl)c2F)CC1 ZINC000904443158 637410578 /nfs/dbraw/zinc/41/05/78/637410578.db2.gz HSGPPSAVINPKBP-UHFFFAOYSA-N 0 3 244.697 1.766 20 10 BDCDHN Cn1nccc1CC[NH2+]Cc1ccccc1[O-] ZINC000231033186 641127955 /nfs/dbraw/zinc/12/79/55/641127955.db2.gz BZKHYAOJINWWSM-UHFFFAOYSA-N 0 3 231.299 1.458 20 10 BDCDHN CCNC(=O)C(C)(C)[NH2+]Cc1ccccc1[O-] ZINC000312835332 641512963 /nfs/dbraw/zinc/51/29/63/641512963.db2.gz ZPISKDNGVSEGGW-UHFFFAOYSA-N 0 3 236.315 1.397 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914433011 641701233 /nfs/dbraw/zinc/70/12/33/641701233.db2.gz IZYFJCKAVVQUOW-QWHCGFSZSA-N 0 3 233.311 1.907 20 10 BDCDHN COC(OC)[C@H](C)[NH2+]Cc1ccccc1[O-] ZINC000070652994 642438464 /nfs/dbraw/zinc/43/84/64/642438464.db2.gz QMFUYOJPTYEZLS-VIFPVBQESA-N 0 3 225.288 1.489 20 10 BDCDHN C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccccc1[O-] ZINC000179558839 642726443 /nfs/dbraw/zinc/72/64/43/642726443.db2.gz ZVZBHXFMJJFVTC-JQWIXIFHSA-N 0 3 248.326 1.478 20 10 BDCDHN C[C@H]1CC[C@H](C(N)=O)C[N@H+]1Cc1ccccc1[O-] ZINC000179558839 642726453 /nfs/dbraw/zinc/72/64/53/642726453.db2.gz ZVZBHXFMJJFVTC-JQWIXIFHSA-N 0 3 248.326 1.478 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044684079 643547497 /nfs/dbraw/zinc/54/74/97/643547497.db2.gz CIMNARQAPXWVFM-LBPRGKRZSA-N 0 3 232.327 1.719 20 10 BDCDHN COc1cccc([O-])c1C[NH2+]C[C@@H]1CCN1C ZINC000922575768 644028858 /nfs/dbraw/zinc/02/88/58/644028858.db2.gz MZJLDRHJSBZTOK-JTQLQIEISA-N 0 3 236.315 1.195 20 10 BDCDHN CCN1C[C@H](C[NH2+]Cc2ccccc2[O-])CC1=O ZINC000846092479 645402431 /nfs/dbraw/zinc/40/24/31/645402431.db2.gz DILHDJAIROOFML-NSHDSACASA-N 0 3 248.326 1.350 20 10 BDCDHN C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccccc1[O-] ZINC000926984188 645507907 /nfs/dbraw/zinc/50/79/07/645507907.db2.gz DULLJUICYDUKEE-GHMZBOCLSA-N 0 3 248.326 1.569 20 10 BDCDHN [O-]c1ccccc1C[NH2+][C@@H](CO)C1CCC1 ZINC000717617445 712662794 /nfs/dbraw/zinc/66/27/94/712662794.db2.gz WATBBQATYRCWHG-LBPRGKRZSA-N 0 3 221.300 1.643 20 10 BDCDHN C[C@H]1[C@H]([NH2+]Cc2ccccc2[O-])CCN1C ZINC000719579655 712812427 /nfs/dbraw/zinc/81/24/27/712812427.db2.gz IRSGNGYTYCIVTL-CMPLNLGQSA-N 0 3 220.316 1.574 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1CCOC1)CC2 ZINC000381496012 710646717 /nfs/dbraw/zinc/64/67/17/710646717.db2.gz BFMOYAIFBIECIT-WDEREUQCSA-N 0 3 219.284 1.758 20 10 BDCDHN C[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1[O-] ZINC000722393973 710712837 /nfs/dbraw/zinc/71/28/37/710712837.db2.gz CNXVPUGWLJKLRA-VIFPVBQESA-N 0 3 224.279 1.325 20 10 BDCDHN CC[C@H]([NH2+]Cc1ccccc1[O-])[C@@H](C)O ZINC000395372179 711208235 /nfs/dbraw/zinc/20/82/35/711208235.db2.gz VAVRPNFYCPEUKL-KOLCDFICSA-N 0 3 209.289 1.641 20 10 BDCDHN COC[C@H](C[NH2+]Cc1ccccc1[O-])OC ZINC000227706659 711832637 /nfs/dbraw/zinc/83/26/37/711832637.db2.gz OXOIFNUHIRDKTR-NSHDSACASA-N 0 3 225.288 1.143 20 10 BDCDHN [O-]c1cccc2c1[C@H]([NH2+][C@H]1C[C@@H](CO)C1)CC2 ZINC000707622204 712175969 /nfs/dbraw/zinc/17/59/69/712175969.db2.gz XBPKFBOQYPTHQL-ADEWGFFLSA-N 0 3 233.311 1.740 20 10 BDCDHN C[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(F)ccc1[O-] ZINC000712596588 712436242 /nfs/dbraw/zinc/43/62/42/712436242.db2.gz VCFOZTXVDYJMFZ-ONGXEEELSA-N 0 3 238.306 1.886 20 10 BDCDHN CO[C@H]1C[C@H](C[NH2+]Cc2ccccc2[O-])C1 ZINC000714654199 712495109 /nfs/dbraw/zinc/49/51/09/712495109.db2.gz GISYIOPHOBHVDG-UMSPYCQHSA-N 0 3 221.300 1.907 20 10 BDCDHN C[C@@H]([NH2+]C1COCCOC1)c1ccccc1[O-] ZINC000379848276 712616876 /nfs/dbraw/zinc/61/68/76/712616876.db2.gz JFWMBFKQEGRLHJ-SNVBAGLBSA-N 0 3 237.299 1.458 20 10 BDCDHN COC(=O)CCC[NH2+][C@@H](C)c1ccccc1[O-] ZINC000037417075 712628871 /nfs/dbraw/zinc/62/88/71/712628871.db2.gz TULYAOTUAKHNAS-JTQLQIEISA-N 0 3 237.299 1.996 20 10 BDCDHN C[C@@H]1[C@H]([NH2+]Cc2ccccc2[O-])CCN1C ZINC000719579662 712812602 /nfs/dbraw/zinc/81/26/02/712812602.db2.gz IRSGNGYTYCIVTL-ZYHUDNBSSA-N 0 3 220.316 1.574 20 10 BDCDHN