smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+](Cc1ccccc1O)CC(OC)OC ZINC001207257038 968696821 /nfs/dbraw/zinc/69/68/21/968696821.db2.gz TYOFTFMMBVEVOM-UHFFFAOYSA-N 1 0 239.315 1.833 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000234889959 973775477 /nfs/dbraw/zinc/77/54/77/973775477.db2.gz NTCSXYVSZNTXQR-NSHDSACASA-N 1 0 225.263 1.752 20 10 BDCDRO Nc1ccc(CO[C@H]2CCC[NH2+]C2)cc1 ZINC001217859716 971451294 /nfs/dbraw/zinc/45/12/94/971451294.db2.gz GITJHXYPRRSIQT-LBPRGKRZSA-N 1 0 206.289 1.537 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)C2CCC2)c1 ZINC000316791752 972295711 /nfs/dbraw/zinc/29/57/11/972295711.db2.gz RDCYFKHXZCGUPJ-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO Nc1ccc(CN2CCC[C@]23CCC[NH2+]C3)cc1 ZINC001222254087 972423546 /nfs/dbraw/zinc/42/35/46/972423546.db2.gz VNBSBAHIPZQUHZ-HNNXBMFYSA-N 1 0 245.370 1.987 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCNC1=O)c1cc(F)ccc1O ZINC000693908728 959530107 /nfs/dbraw/zinc/53/01/07/959530107.db2.gz RNVOQJOAOAXQIA-XCBNKYQSSA-N 1 0 238.262 1.070 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001140617506 960460665 /nfs/dbraw/zinc/46/06/65/960460665.db2.gz RUXSVCZKMHJNIZ-WCQYABFASA-N 1 0 239.290 1.605 20 10 BDCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cc(C)ccc1O ZINC001140624323 960466213 /nfs/dbraw/zinc/46/62/13/960466213.db2.gz QRAGXLCWPBIXBM-KBPBESRZSA-N 1 0 246.354 1.979 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC001140742194 960543660 /nfs/dbraw/zinc/54/36/60/960543660.db2.gz JUGJOIKPKARFQN-NSHDSACASA-N 1 0 237.299 1.363 20 10 BDCDRO Oc1cccc2c1C[N@H+](Cc1cnco1)CC2 ZINC001140934001 960718581 /nfs/dbraw/zinc/71/85/81/960718581.db2.gz PMXNXRQXAMKDCW-UHFFFAOYSA-N 1 0 230.267 1.939 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001141156254 960893167 /nfs/dbraw/zinc/89/31/67/960893167.db2.gz IQZCOYTYWVQBOE-JQWIXIFHSA-N 1 0 241.262 1.003 20 10 BDCDRO C[N@H+](Cc1cc(O)ccc1O)[C@H]1CCCOC1 ZINC001141163161 960902238 /nfs/dbraw/zinc/90/22/38/960902238.db2.gz SJGSZPLNYAWUMR-NSHDSACASA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1cc(O)c(CC[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1O ZINC001167902999 961682719 /nfs/dbraw/zinc/68/27/19/961682719.db2.gz RLMVLWPGEYOZRR-JGPRNRPPSA-N 1 0 249.310 1.734 20 10 BDCDRO Oc1cc(O)c(CCNc2cc[nH+]cc2)cc1O ZINC001168008481 963278676 /nfs/dbraw/zinc/27/86/76/963278676.db2.gz AXLGLAUWEJXTGV-UHFFFAOYSA-N 1 0 246.266 1.275 20 10 BDCDRO COc1cc(C)c(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001204993179 963388734 /nfs/dbraw/zinc/38/87/34/963388734.db2.gz DNUAUXKKXNFIEA-UHFFFAOYSA-N 1 0 236.315 1.242 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383581199 963584507 /nfs/dbraw/zinc/58/45/07/963584507.db2.gz FLIXXCWEWWFSFX-SCZZXKLOSA-N 1 0 234.299 1.233 20 10 BDCDRO COCC1([NH2+]Cc2cccc(OC)c2O)CC1 ZINC000697493572 964107010 /nfs/dbraw/zinc/10/70/10/964107010.db2.gz YXYQXXOXCRJZGB-UHFFFAOYSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235166651 966024336 /nfs/dbraw/zinc/02/43/36/966024336.db2.gz UVQYWRUADIAALG-SMDDNHRTSA-N 1 0 248.326 1.324 20 10 BDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cccc(F)c1O)C2 ZINC001235978643 966186924 /nfs/dbraw/zinc/18/69/24/966186924.db2.gz JOKWESSICKZHHX-GXFFZTMASA-N 1 0 236.290 1.454 20 10 BDCDRO Cc1c(O)ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990582 966210234 /nfs/dbraw/zinc/21/02/34/966210234.db2.gz KLILDQKWWJCPJT-FZMZJTMJSA-N 1 0 248.326 1.329 20 10 BDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(F)ccc1O)C2 ZINC001235994750 966216036 /nfs/dbraw/zinc/21/60/36/966216036.db2.gz QCJUIBPVYRBYJO-GWCFXTLKSA-N 1 0 236.290 1.454 20 10 BDCDRO Cc1cc(O)c(CN2CC[C@H]([NH3+])C2)cc1Cl ZINC001236173926 966297461 /nfs/dbraw/zinc/29/74/61/966297461.db2.gz RSVDAQMKZGXKRT-JTQLQIEISA-N 1 0 240.734 1.887 20 10 BDCDRO CCc1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236286814 966340994 /nfs/dbraw/zinc/34/09/94/966340994.db2.gz COZUAASMQMWWGJ-STQMWFEESA-N 1 0 232.327 1.358 20 10 BDCDRO [NH3+]CCC(=O)NCCCSc1nccs1 ZINC000237857522 966427679 /nfs/dbraw/zinc/42/76/79/966427679.db2.gz YUTYMIBHCZCDJM-UHFFFAOYSA-N 1 0 245.373 1.090 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@]1(C)O ZINC001203549927 966672256 /nfs/dbraw/zinc/67/22/56/966672256.db2.gz DASBWCQDWBAZNA-RISCZKNCSA-N 1 0 235.327 1.985 20 10 BDCDRO Oc1ccccc1C[NH+]1CC(C2COC2)C1 ZINC001203547771 966680264 /nfs/dbraw/zinc/68/02/64/966680264.db2.gz XMIMDVKAXNXEQA-UHFFFAOYSA-N 1 0 219.284 1.470 20 10 BDCDRO OC[C@@H]1C[C@H](F)C[N@H+](Cc2ccccc2O)C1 ZINC001203550541 966684549 /nfs/dbraw/zinc/68/45/49/966684549.db2.gz YOYRMYQIVYDFJG-PWSUYJOCSA-N 1 0 239.290 1.545 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CC[C@@H]1O ZINC001203550484 966685229 /nfs/dbraw/zinc/68/52/29/966685229.db2.gz VYJGEAUFQZLHCU-AAEUAGOBSA-N 1 0 235.327 1.985 20 10 BDCDRO COC(=O)CC[N@H+](Cc1ccccc1O)C1CC1 ZINC001203561296 966686995 /nfs/dbraw/zinc/68/69/95/966686995.db2.gz PUIWLDKRBDLSHY-UHFFFAOYSA-N 1 0 249.310 1.920 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c1O ZINC001203597065 966700527 /nfs/dbraw/zinc/70/05/27/966700527.db2.gz UGJVSHSSPASIEJ-GXFFZTMASA-N 1 0 249.310 1.622 20 10 BDCDRO CC[N@H+](Cc1ccc(OC)cc1O)C1COC1 ZINC001203628792 966714325 /nfs/dbraw/zinc/71/43/25/966714325.db2.gz IJWBFISXNDMASQ-UHFFFAOYSA-N 1 0 237.299 1.622 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1O ZINC001203878486 966805794 /nfs/dbraw/zinc/80/57/94/966805794.db2.gz UXVKMYYWQBXDPB-PHIMTYICSA-N 1 0 235.283 1.176 20 10 BDCDRO COCC[N@H+](Cc1ccc(O)c(O)c1)C(C)C ZINC001203878219 966805954 /nfs/dbraw/zinc/80/59/54/966805954.db2.gz DDXKKJPMVXISFQ-UHFFFAOYSA-N 1 0 239.315 1.955 20 10 BDCDRO CO[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874380 966806705 /nfs/dbraw/zinc/80/67/05/966806705.db2.gz VRJTUTTUNJNSDK-LLVKDONJSA-N 1 0 237.299 1.709 20 10 BDCDRO C[N@H+]1C[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]2C1 ZINC001203880677 966807843 /nfs/dbraw/zinc/80/78/43/966807843.db2.gz WBCXYXGONLJHKH-TXEJJXNPSA-N 1 0 248.326 1.091 20 10 BDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880981 966809145 /nfs/dbraw/zinc/80/91/45/966809145.db2.gz KPFBQBCMVXYUPC-LLVKDONJSA-N 1 0 235.283 1.509 20 10 BDCDRO Oc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001204271991 966955017 /nfs/dbraw/zinc/95/50/17/966955017.db2.gz FYWMCNMGKWOQAP-UHFFFAOYSA-N 1 0 235.283 1.055 20 10 BDCDRO C[N@H+](Cc1ccc(O)cc1O)C1(C)COC1 ZINC001204278970 966957023 /nfs/dbraw/zinc/95/70/23/966957023.db2.gz MYUHNQNQENBZCP-UHFFFAOYSA-N 1 0 223.272 1.319 20 10 BDCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204279231 966958470 /nfs/dbraw/zinc/95/84/70/966958470.db2.gz SZCLOXURQFZWOZ-SKDRFNHKSA-N 1 0 237.299 1.443 20 10 BDCDRO C[N@H+](Cc1ccncn1)Cc1ccc(O)cc1O ZINC001204282747 966960414 /nfs/dbraw/zinc/96/04/14/966960414.db2.gz VEIJLLNEBQDFFU-UHFFFAOYSA-N 1 0 245.282 1.520 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001204281051 966961294 /nfs/dbraw/zinc/96/12/94/966961294.db2.gz OJYJUGBBTYTIFT-GXFFZTMASA-N 1 0 235.283 1.319 20 10 BDCDRO COCC[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340424 966974754 /nfs/dbraw/zinc/97/47/54/966974754.db2.gz QMOKRFLFUMTZEP-UHFFFAOYSA-N 1 0 241.287 1.185 20 10 BDCDRO COc1cc(C[NH+]2CC3CC(C3)C2)cc(O)c1O ZINC001204348652 966975663 /nfs/dbraw/zinc/97/56/63/966975663.db2.gz GWIWUTNSWZWMKB-UHFFFAOYSA-N 1 0 249.310 1.948 20 10 BDCDRO CCC[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340271 966975788 /nfs/dbraw/zinc/97/57/88/966975788.db2.gz KHFOBFXWCOICJF-UHFFFAOYSA-N 1 0 225.288 1.948 20 10 BDCDRO CC[NH+](CC)Cc1cc(O)c(O)c(OC)c1 ZINC001204340315 966976443 /nfs/dbraw/zinc/97/64/43/966976443.db2.gz LPCHABXCAXACKT-UHFFFAOYSA-N 1 0 225.288 1.948 20 10 BDCDRO Cc1ccc(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204782254 967164841 /nfs/dbraw/zinc/16/48/41/967164841.db2.gz BHMZVGQQNGEEKF-ZDUSSCGKSA-N 1 0 220.316 1.624 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1c(O)cccc1F ZINC001205177516 967408975 /nfs/dbraw/zinc/40/89/75/967408975.db2.gz OTNANJRYEVIZTC-LDYMZIIASA-N 1 0 224.279 1.453 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(Cl)cc1O ZINC001205182565 967410288 /nfs/dbraw/zinc/41/02/88/967410288.db2.gz BBZIAXIWZCWRQU-LDYMZIIASA-N 1 0 240.734 1.967 20 10 BDCDRO Cc1cc(N2CCOCC2)ccc1CC[NH+](C)C ZINC001250159721 967454338 /nfs/dbraw/zinc/45/43/38/967454338.db2.gz JDQFFKUSMADTET-UHFFFAOYSA-N 1 0 248.370 1.936 20 10 BDCDRO C[C@@H]1CC[NH2+]CCN1Cc1ccc(N)cc1 ZINC001205331824 967549442 /nfs/dbraw/zinc/54/94/42/967549442.db2.gz JZNWVHOBYYJFDW-LLVKDONJSA-N 1 0 219.332 1.453 20 10 BDCDRO C[C@H]1CC[C@@H](CN)[N@H+](Cc2ccccc2O)C1 ZINC001205807181 967830503 /nfs/dbraw/zinc/83/05/03/967830503.db2.gz YKTFJVSHSIQQKS-AAEUAGOBSA-N 1 0 234.343 1.951 20 10 BDCDRO Cc1ccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c(O)c1 ZINC001205872944 967868127 /nfs/dbraw/zinc/86/81/27/967868127.db2.gz WGOHFOXWUPSWSD-YPMHNXCESA-N 1 0 234.343 1.870 20 10 BDCDRO Oc1cccc2c1C[N@H+](C[C@H]1CCCO1)CC2 ZINC001207887401 968914782 /nfs/dbraw/zinc/91/47/82/968914782.db2.gz HZTTZDIDTFYWLB-GFCCVEGCSA-N 1 0 233.311 1.929 20 10 BDCDRO Cc1nc2c(ccn2C)c(C2=CCC[N@H+](C)C2)n1 ZINC001241567358 969057379 /nfs/dbraw/zinc/05/73/79/969057379.db2.gz YBJUOPMWCZUNCD-UHFFFAOYSA-N 1 0 242.326 1.996 20 10 BDCDRO CC(=O)N1CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC001169512110 969700547 /nfs/dbraw/zinc/70/05/47/969700547.db2.gz CEXZZVYBYRHXCL-ZDUSSCGKSA-N 1 0 248.326 1.411 20 10 BDCDRO CCN(C)c1ccc(C[N@H+](C)CCO)cc1 ZINC001256009891 970606966 /nfs/dbraw/zinc/60/69/66/970606966.db2.gz NDAHKMDARSLYBA-UHFFFAOYSA-N 1 0 222.332 1.567 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC001327723196 972712225 /nfs/dbraw/zinc/71/22/25/972712225.db2.gz YGMNNWQFWHMNCP-CYBMUJFWSA-N 1 0 247.338 1.911 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144520532 972853514 /nfs/dbraw/zinc/85/35/14/972853514.db2.gz TXJAUNNSLQZAJD-QMMMGPOBSA-N 1 0 239.271 1.024 20 10 BDCDRO CCOc1ccc(N2CC3(CC[N@@H+]3C)C2)cc1 ZINC001276926804 973308562 /nfs/dbraw/zinc/30/85/62/973308562.db2.gz YFTOOYVPTLIOSN-UHFFFAOYSA-N 1 0 232.327 1.980 20 10 BDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC000044412655 973749432 /nfs/dbraw/zinc/74/94/32/973749432.db2.gz HNLIEAHBPDJHED-CYBMUJFWSA-N 1 0 247.342 1.369 20 10 BDCDRO Oc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001172222719 974457035 /nfs/dbraw/zinc/45/70/35/974457035.db2.gz GRZAHOJSGHIQAN-YOGCLGLASA-N 1 0 249.310 1.897 20 10 BDCDRO Cc1nnc(C[NH2+]Cc2ccc(C)cc2O)n1C ZINC001331053814 974578023 /nfs/dbraw/zinc/57/80/23/974578023.db2.gz SJDRLDZBZNOBHL-UHFFFAOYSA-N 1 0 246.314 1.427 20 10 BDCDRO Nc1ccc(C[N@H+]2CC[C@@H](N)[C@@H](F)CC2)cc1 ZINC001206196909 975129689 /nfs/dbraw/zinc/12/96/89/975129689.db2.gz DZWBEFBNWIVIRZ-QWHCGFSZSA-N 1 0 237.322 1.530 20 10 BDCDRO C[C@H]1[C@H](C)[N@H+](Cc2ccc(N)cc2)CCN1C ZINC001334754801 976623276 /nfs/dbraw/zinc/62/32/76/976623276.db2.gz RQPQKKMVWMTCRB-RYUDHWBXSA-N 1 0 233.359 1.793 20 10 BDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(N)cc1 ZINC001334773978 976637693 /nfs/dbraw/zinc/63/76/93/976637693.db2.gz BVUPSTIZVQALEL-WDEREUQCSA-N 1 0 219.332 1.451 20 10 BDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(N)cc1 ZINC001336116961 977519764 /nfs/dbraw/zinc/51/97/64/977519764.db2.gz JGPWHPBFLVYLJV-SNVBAGLBSA-N 1 0 231.303 1.039 20 10 BDCDRO Nc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)cc1 ZINC001336284737 977615201 /nfs/dbraw/zinc/61/52/01/977615201.db2.gz CJDJXDCRXZNPFP-WPTOEGHWSA-N 1 0 244.338 1.782 20 10 BDCDRO CC[N@H+](Cc1cccc(C)c1O)C1CN(C)C1 ZINC001231595191 977641979 /nfs/dbraw/zinc/64/19/79/977641979.db2.gz UNSAJUSCAFCEIG-UHFFFAOYSA-N 1 0 234.343 1.837 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001231843279 977765715 /nfs/dbraw/zinc/76/57/15/977765715.db2.gz UKFUJULTKHZKIC-WCQYABFASA-N 1 0 239.290 1.524 20 10 BDCDRO CC(C)C[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233009874 978409730 /nfs/dbraw/zinc/40/97/30/978409730.db2.gz FEPBCRMSWAATML-UHFFFAOYSA-N 1 0 225.288 1.891 20 10 BDCDRO Nc1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC001337838768 978522671 /nfs/dbraw/zinc/52/26/71/978522671.db2.gz SYURHIBVAHDHMI-GFCCVEGCSA-N 1 0 218.300 1.226 20 10 BDCDRO C[NH+](C)C1CN(Cc2c(O)ccc(F)c2F)C1 ZINC001233331705 978563044 /nfs/dbraw/zinc/56/30/44/978563044.db2.gz HQFHMCFOWKCSPB-UHFFFAOYSA-N 1 0 242.269 1.416 20 10 BDCDRO [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@@H]1CO ZINC001233332552 978569555 /nfs/dbraw/zinc/56/95/55/978569555.db2.gz PBVLIIGYNWYPQT-MRVPVSSYSA-N 1 0 243.253 1.627 20 10 BDCDRO Oc1ccc(C[NH+]2CCC3(CCO3)CC2)c(O)c1 ZINC001204279418 978942307 /nfs/dbraw/zinc/94/23/07/978942307.db2.gz YOAASBXLAQGEQI-UHFFFAOYSA-N 1 0 249.310 1.853 20 10 BDCDRO Cc1cc(C)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235044640 978961114 /nfs/dbraw/zinc/96/11/14/978961114.db2.gz MUWYYEPNLMYBAN-UONOGXRCSA-N 1 0 246.354 1.945 20 10 BDCDRO COC[C@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001181390790 979087590 /nfs/dbraw/zinc/08/75/90/979087590.db2.gz KSIUXHZLGSOFSB-JTQLQIEISA-N 1 0 245.706 1.143 20 10 BDCDRO COc1cccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235981709 979256638 /nfs/dbraw/zinc/25/66/38/979256638.db2.gz SACUFKFPBQGXAG-FZMZJTMJSA-N 1 0 248.326 1.324 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@H]1CCCC[C@@H]1[NH3+] ZINC001236219832 979453945 /nfs/dbraw/zinc/45/39/45/979453945.db2.gz XQDPQULKPXFGKF-KBPBESRZSA-N 1 0 233.359 1.971 20 10 BDCDRO Cc1ccc(CN2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236246466 979467083 /nfs/dbraw/zinc/46/70/83/979467083.db2.gz CPTRCSBZGXOFNX-GFCCVEGCSA-N 1 0 220.316 1.624 20 10 BDCDRO Oc1cc(Cl)ccc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236284268 979488442 /nfs/dbraw/zinc/48/84/42/979488442.db2.gz HIQVGGJXWLHXJI-GXSJLCMTSA-N 1 0 238.718 1.449 20 10 BDCDRO CC(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236292582 979498429 /nfs/dbraw/zinc/49/84/29/979498429.db2.gz NJVLQBQFHALFJJ-KGLIPLIRSA-N 1 0 246.354 1.919 20 10 BDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(N)cc1 ZINC001341923095 979592586 /nfs/dbraw/zinc/59/25/86/979592586.db2.gz IUDJKHBCCGCDNX-VIFPVBQESA-N 1 0 233.315 1.026 20 10 BDCDRO C[C@H]1CN(Cc2cc(O)ccc2O)C[C@H](C)[NH2+]1 ZINC001236576713 979647392 /nfs/dbraw/zinc/64/73/92/979647392.db2.gz AVONIPORWQOARQ-UWVGGRQHSA-N 1 0 236.315 1.280 20 10 BDCDRO Nc1ccc(N(CCO)c2cc[nH+]c(N)c2)cc1 ZINC001206550512 979698476 /nfs/dbraw/zinc/69/84/76/979698476.db2.gz RPZNASRYTHRVJA-UHFFFAOYSA-N 1 0 244.298 1.376 20 10 BDCDRO CCc1ccc(C[NH+]2CCC(O)CC2)c(O)c1 ZINC001236783264 979722721 /nfs/dbraw/zinc/72/27/21/979722721.db2.gz IXPXCJXHGFEDIQ-UHFFFAOYSA-N 1 0 235.327 1.911 20 10 BDCDRO CN1CCC[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560522 979758356 /nfs/dbraw/zinc/75/83/56/979758356.db2.gz BQUUQZMOACIYHK-JSGCOSHPSA-N 1 0 246.354 1.918 20 10 BDCDRO C[C@H](NC(=O)CC1CC([NH3+])C1)c1ccccc1O ZINC001342307367 979760819 /nfs/dbraw/zinc/76/08/19/979760819.db2.gz OGAVPASMUHAJNR-WHXUTIOJSA-N 1 0 248.326 1.697 20 10 BDCDRO CCOc1ccc(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001237044883 979808489 /nfs/dbraw/zinc/80/84/89/979808489.db2.gz ODMDKIKZTZSSGQ-UHFFFAOYSA-N 1 0 249.310 1.623 20 10 BDCDRO CCOc1ccc(C[NH+]2CCC2)c(O)c1 ZINC001237045727 979808603 /nfs/dbraw/zinc/80/86/03/979808603.db2.gz SMDLYNIGUJVIHY-UHFFFAOYSA-N 1 0 207.273 1.997 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](O)[C@@H](F)C1 ZINC001237485757 979908849 /nfs/dbraw/zinc/90/88/49/979908849.db2.gz SCFRDHLDCSOCRC-CMPLNLGQSA-N 1 0 225.263 1.215 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(CO)C1 ZINC001237486121 979909186 /nfs/dbraw/zinc/90/91/86/979909186.db2.gz VWZLRBIOSPURIO-CQSZACIVSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1CO ZINC001237484872 979911279 /nfs/dbraw/zinc/91/12/79/979911279.db2.gz JFYQMRCHCCMSHF-LLVKDONJSA-N 1 0 221.300 1.657 20 10 BDCDRO C[C@H]([NH2+]CCOCCCO)c1ccccc1O ZINC001345427236 980605885 /nfs/dbraw/zinc/60/58/85/980605885.db2.gz NTPCJFHAKJYVBK-NSHDSACASA-N 1 0 239.315 1.442 20 10 BDCDRO CCn1ccc(-c2cncc(C[NH3+])c2)cc1=O ZINC001239806336 980943894 /nfs/dbraw/zinc/94/38/94/980943894.db2.gz DGMXEBPOSIZGND-UHFFFAOYSA-N 1 0 229.283 1.389 20 10 BDCDRO CN1CCOc2cc(C3=CCC[NH2+]C3)ccc21 ZINC001240664374 981571837 /nfs/dbraw/zinc/57/18/37/981571837.db2.gz KCZCEUNZZRJEPD-UHFFFAOYSA-N 1 0 230.311 1.892 20 10 BDCDRO Cn1c(=O)ccc2ccc(C3=CCC[NH2+]C3)cc21 ZINC001240671425 981581761 /nfs/dbraw/zinc/58/17/61/981581761.db2.gz VBDMZUDVRNDJRH-UHFFFAOYSA-N 1 0 240.306 1.915 20 10 BDCDRO Nc1ccc(CN[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC001352791534 982582011 /nfs/dbraw/zinc/58/20/11/982582011.db2.gz WZBOATSQAVFJOR-VIFPVBQESA-N 1 0 233.237 1.248 20 10 BDCDRO Nc1ccc(CN2CCC[C@]23CCOC3=O)cc1 ZINC001352790013 982582742 /nfs/dbraw/zinc/58/27/42/982582742.db2.gz MYIQYAKGQVXBPE-CQSZACIVSA-N 1 0 246.310 1.550 20 10 BDCDRO Cc1cccc(O)c1CN1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC001205888348 983085073 /nfs/dbraw/zinc/08/50/73/983085073.db2.gz APSINPYCZHWKRD-YPMHNXCESA-N 1 0 234.343 1.870 20 10 BDCDRO c1cc(N2CC[NH2+]CC2)ccc1C1=CCOCC1 ZINC001242076028 983319341 /nfs/dbraw/zinc/31/93/41/983319341.db2.gz VCJALOGOOONART-UHFFFAOYSA-N 1 0 244.338 1.900 20 10 BDCDRO Nc1ccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC001356229075 983590302 /nfs/dbraw/zinc/59/03/02/983590302.db2.gz XDEWFHZDIJFNMK-ZDUSSCGKSA-N 1 0 247.342 1.417 20 10 BDCDRO CCCC[C@@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001252111435 983687572 /nfs/dbraw/zinc/68/75/72/983687572.db2.gz VLUYVGCNZGDYKP-LLVKDONJSA-N 1 0 239.315 1.739 20 10 BDCDRO C[C@@H](NC(=O)C12CC(C1)C[NH2+]2)c1ccccc1O ZINC001357991796 983810764 /nfs/dbraw/zinc/81/07/64/983810764.db2.gz DQMQIRZGRHNNFQ-NAUIOFCNSA-N 1 0 246.310 1.321 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c(O)c1 ZINC000877608210 983955547 /nfs/dbraw/zinc/95/55/47/983955547.db2.gz RMPDYCVKXDRFNL-JQWIXIFHSA-N 1 0 221.300 1.968 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N)cc2)C[C@H](C)[NH2+]1 ZINC000201355854 983987896 /nfs/dbraw/zinc/98/78/96/983987896.db2.gz SKSZCTZKEAAKHM-PHIMTYICSA-N 1 0 219.332 1.451 20 10 BDCDRO Oc1ccc([C@H](O)C[NH2+]C2CCCC2)cc1O ZINC000002019486 984007871 /nfs/dbraw/zinc/00/78/71/984007871.db2.gz JZFABYQAQALWIN-CYBMUJFWSA-N 1 0 237.299 1.663 20 10 BDCDRO CN(C)c1ccc(CN2CC3(CC[N@@H+]3C)C2)cc1 ZINC001275833244 984684771 /nfs/dbraw/zinc/68/47/71/984684771.db2.gz DSNHXARSXJEADO-UHFFFAOYSA-N 1 0 245.370 1.643 20 10 BDCDRO CC(C)n1cc(C[NH2+]Cc2ccccc2O)nn1 ZINC000384953965 984833847 /nfs/dbraw/zinc/83/38/47/984833847.db2.gz GMOQPAQXVYDOPT-UHFFFAOYSA-N 1 0 246.314 1.854 20 10 BDCDRO C[C@H]1[NH2+]CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC001579505329 986050348 /nfs/dbraw/zinc/05/03/48/986050348.db2.gz VVITYERWIWGCFJ-MFKMUULPSA-N 1 0 232.327 1.462 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CC3(CCN3C)C2)c(O)c1 ZINC001276365097 986097305 /nfs/dbraw/zinc/09/73/05/986097305.db2.gz LBCGLPGWZWDHGD-UHFFFAOYSA-N 1 0 246.354 1.899 20 10 BDCDRO C[C@@H](O)CC[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001461956485 986243785 /nfs/dbraw/zinc/24/37/85/986243785.db2.gz RWRSCXNNVZHUCR-MRVPVSSYSA-N 1 0 245.269 1.873 20 10 BDCDRO [NH3+][C@H]1C[C@H](C[NH2+]Cc2cccc(F)c2[O-])C1 ZINC001580427728 986845145 /nfs/dbraw/zinc/84/51/45/986845145.db2.gz NTYWVMVTZKEEAD-CZMCAQCFSA-N 1 0 224.279 1.358 20 10 BDCDRO Oc1ccc(C[NH2+][C@H]2CCCOCC2)c(O)c1 ZINC000393873912 986864098 /nfs/dbraw/zinc/86/40/98/986864098.db2.gz DVLVONKBSHXHHC-NSHDSACASA-N 1 0 237.299 1.757 20 10 BDCDRO Nc1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC001246170993 987532279 /nfs/dbraw/zinc/53/22/79/987532279.db2.gz PLHGRBNVWXYNKG-LBPRGKRZSA-N 1 0 205.305 1.110 20 10 BDCDRO C[C@@H]1C[C@@H](NCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246277517 987672213 /nfs/dbraw/zinc/67/22/13/987672213.db2.gz IFKCJOSMKCYPBX-KOLCDFICSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@H]1C[C@@H](NCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246277520 987673767 /nfs/dbraw/zinc/67/37/67/987673767.db2.gz IFKCJOSMKCYPBX-ONGXEEELSA-N 1 0 236.315 1.328 20 10 BDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2NC1C[NH2+]C1 ZINC001326034892 989333173 /nfs/dbraw/zinc/33/31/73/989333173.db2.gz BCZCJMCPWLMTPT-KOLCDFICSA-N 1 0 232.327 1.810 20 10 BDCDRO CC(C)C[C@H]([NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001122540994 990411412 /nfs/dbraw/zinc/41/14/12/990411412.db2.gz YHDYQIULJLKEJR-ZDUSSCGKSA-N 1 0 249.358 1.649 20 10 BDCDRO Oc1c(F)cccc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001138130940 990886167 /nfs/dbraw/zinc/88/61/67/990886167.db2.gz LYYWSJHBSDIOBA-LLVKDONJSA-N 1 0 236.290 1.421 20 10 BDCDRO C[N@H+](Cc1cccnn1)Cc1ccccc1O ZINC001139971713 991443257 /nfs/dbraw/zinc/44/32/57/991443257.db2.gz JZAYADUYCSZJFD-UHFFFAOYSA-N 1 0 229.283 1.814 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC001140178499 991548839 /nfs/dbraw/zinc/54/88/39/991548839.db2.gz MSRAMTZLLIYLOR-AAEUAGOBSA-N 1 0 235.327 1.822 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001140463228 991644681 /nfs/dbraw/zinc/64/46/81/991644681.db2.gz WNUDPAWNKQJWCS-UFBFGSQYSA-N 1 0 241.718 1.858 20 10 BDCDRO Oc1cc(Cl)ccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC001560947001 991662646 /nfs/dbraw/zinc/66/26/46/991662646.db2.gz OVWDFVSDKVLPAA-MGCOHNPYSA-N 1 0 227.691 1.659 20 10 BDCDRO CCN(C(=O)Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001332095511 991898907 /nfs/dbraw/zinc/89/89/07/991898907.db2.gz MTLAFVCFLZLYEY-CYBMUJFWSA-N 1 0 247.342 1.022 20 10 BDCDRO CC[C@@]1(C(=O)NCc2ccc(N)cc2)CC[NH2+]C1 ZINC001263303699 993213550 /nfs/dbraw/zinc/21/35/50/993213550.db2.gz FEOPTCIEFPXNDD-CQSZACIVSA-N 1 0 247.342 1.275 20 10 BDCDRO CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001263304256 993215474 /nfs/dbraw/zinc/21/54/74/993215474.db2.gz XAGBREMBPZHWMH-CYBMUJFWSA-N 1 0 249.358 1.649 20 10 BDCDRO CCOC[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC000383288145 993487960 /nfs/dbraw/zinc/48/79/60/993487960.db2.gz MJSHHDQTZONJBO-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO CC(C)(O)C1C[NH+](Cc2ccccc2O)C1 ZINC000297464653 187255427 /nfs/dbraw/zinc/25/54/27/187255427.db2.gz RVCSSMGAXSISDY-UHFFFAOYSA-N 1 0 221.300 1.595 20 10 BDCDRO C[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035603829 343300072 /nfs/dbraw/zinc/30/00/72/343300072.db2.gz QYOVVUOICGPJHS-SNVBAGLBSA-N 1 0 208.305 1.223 20 10 BDCDRO C[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801157 343355937 /nfs/dbraw/zinc/35/59/37/343355937.db2.gz QJTLUEHRABXUQI-SNVBAGLBSA-N 1 0 235.331 1.058 20 10 BDCDRO C[C@@H](C[NH2+]Cc1ccc(N(C)C)cc1)N(C)C ZINC000038088906 343370453 /nfs/dbraw/zinc/37/04/53/343370453.db2.gz AEXYQKYPVKDSBY-LBPRGKRZSA-N 1 0 235.375 1.792 20 10 BDCDRO C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363050 343343916 /nfs/dbraw/zinc/34/39/16/343343916.db2.gz ZPBWOKDMTZENQZ-VIFPVBQESA-N 1 0 207.273 1.092 20 10 BDCDRO OCCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000409422993 343814305 /nfs/dbraw/zinc/81/43/05/343814305.db2.gz KMVDNMYLCYSNET-UHFFFAOYSA-N 1 0 235.327 1.987 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1O ZINC000128233190 187297417 /nfs/dbraw/zinc/29/74/17/187297417.db2.gz XMQCEBJYXGJSSU-RYUDHWBXSA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1cccc(C[NH+]2CC(CC(N)=O)C2)c1O ZINC000297389802 179073618 /nfs/dbraw/zinc/07/36/18/179073618.db2.gz KKFGNFVOWXPGMF-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](CO)C2)c1O ZINC000271841932 179077900 /nfs/dbraw/zinc/07/79/00/179077900.db2.gz TYWXWDHTQIGACN-LBPRGKRZSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1O ZINC000162807545 179080607 /nfs/dbraw/zinc/08/06/07/179080607.db2.gz XAMAMVMHGJJHTN-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(C[NH2+]C2(CO)CCC2)c1O ZINC000162976320 179087803 /nfs/dbraw/zinc/08/78/03/179087803.db2.gz DHUSROPXCDSDHE-UHFFFAOYSA-N 1 0 221.300 1.705 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2CCOC2)c1O ZINC000162827745 179093491 /nfs/dbraw/zinc/09/34/91/179093491.db2.gz SLYUTELQIVDTRK-LLVKDONJSA-N 1 0 221.300 1.827 20 10 BDCDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000189967859 347316722 /nfs/dbraw/zinc/31/67/22/347316722.db2.gz RISCGNHGUPMMPW-RYUDHWBXSA-N 1 0 239.290 1.780 20 10 BDCDRO [NH3+][C@H]1CC=C(C(=O)N2CCc3ccc(F)cc32)C1 ZINC000637964090 351836671 /nfs/dbraw/zinc/83/66/71/351836671.db2.gz GPRIGCOWRLOXDP-LBPRGKRZSA-N 1 0 246.285 1.762 20 10 BDCDRO CC1(C)C[N@H+](Cc2ccccc2O)C[C@H]1O ZINC000280482203 351846496 /nfs/dbraw/zinc/84/64/96/351846496.db2.gz OCUNZFHKZINSDQ-GFCCVEGCSA-N 1 0 221.300 1.595 20 10 BDCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1cccnc1 ZINC000638117503 351993215 /nfs/dbraw/zinc/99/32/15/351993215.db2.gz RLELBOSNVBSUEU-SNVBAGLBSA-N 1 0 217.272 1.092 20 10 BDCDRO Cc1cccc2c1N(C(=O)C1=CC[C@@H]([NH3+])C1)CC2 ZINC000638287697 352123463 /nfs/dbraw/zinc/12/34/63/352123463.db2.gz YXFZSOMGCBWSRT-CYBMUJFWSA-N 1 0 242.322 1.932 20 10 BDCDRO [NH3+][C@H]1CC=C(C(=O)N2CCc3cccc(F)c32)C1 ZINC000638301488 352133037 /nfs/dbraw/zinc/13/30/37/352133037.db2.gz OXEJBKWQUUHTEH-NSHDSACASA-N 1 0 246.285 1.762 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)C2(CO)CC2)cc1 ZINC000285589815 188034729 /nfs/dbraw/zinc/03/47/29/188034729.db2.gz ULMGQSOIHVXFHJ-UHFFFAOYSA-N 1 0 234.343 1.709 20 10 BDCDRO NC(=O)CC1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000042427197 181220789 /nfs/dbraw/zinc/22/07/89/181220789.db2.gz YICABCGZJYJWQB-UHFFFAOYSA-N 1 0 247.342 1.356 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCc2cccc(O)c21)C(=O)N(C)C ZINC000296485257 364785651 /nfs/dbraw/zinc/78/56/51/364785651.db2.gz PHRCNGIOLKTTJG-GXSJLCMTSA-N 1 0 248.326 1.446 20 10 BDCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000071302549 183179781 /nfs/dbraw/zinc/17/97/81/183179781.db2.gz ILCXRTBATZWVJX-ZDUSSCGKSA-N 1 0 233.311 1.482 20 10 BDCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000071302551 183224096 /nfs/dbraw/zinc/22/40/96/183224096.db2.gz ILCXRTBATZWVJX-CYBMUJFWSA-N 1 0 233.311 1.482 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000372360485 183275068 /nfs/dbraw/zinc/27/50/68/183275068.db2.gz WXZXLBDSPNJPIS-LBPRGKRZSA-N 1 0 237.274 1.488 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCCOC1 ZINC000038043826 183303226 /nfs/dbraw/zinc/30/32/26/183303226.db2.gz MHOKEGWTCXXCID-NSHDSACASA-N 1 0 221.300 1.908 20 10 BDCDRO CCCNC(=O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363086 169227622 /nfs/dbraw/zinc/22/76/22/169227622.db2.gz HLLUSUYEWPUYTB-UHFFFAOYSA-N 1 0 248.326 1.237 20 10 BDCDRO C[C@H]([NH2+]CCN(C)C)c1ccc(N(C)C)cc1 ZINC000037184062 383954436 /nfs/dbraw/zinc/95/44/36/383954436.db2.gz AMNJYGSYAICQGZ-LBPRGKRZSA-N 1 0 235.375 1.965 20 10 BDCDRO C[NH+](C)CCCNCc1ccc2c(c1)CCO2 ZINC000037362680 383971555 /nfs/dbraw/zinc/97/15/55/383971555.db2.gz VHZXPNRFXMWFDW-UHFFFAOYSA-N 1 0 234.343 1.663 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[NH2+]CC1CC1 ZINC000037823794 384025169 /nfs/dbraw/zinc/02/51/69/384025169.db2.gz IFMWPBWCXGZICU-UHFFFAOYSA-N 1 0 248.326 1.350 20 10 BDCDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccccc1O ZINC000077421963 384066624 /nfs/dbraw/zinc/06/66/24/384066624.db2.gz JEZVMNNYFZAZIL-ZJUUUORDSA-N 1 0 209.289 1.499 20 10 BDCDRO COC[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000132743478 384247352 /nfs/dbraw/zinc/24/73/52/384247352.db2.gz AKCDPQCDSSTUHE-LLVKDONJSA-N 1 0 221.300 1.861 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](C)CC(=O)NC2CC2)c1 ZINC000120365267 384349272 /nfs/dbraw/zinc/34/92/72/384349272.db2.gz HRVZHKUYOVJIAK-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO CC[N@H+](C)Cc1cc(OC)c(OC)cc1O ZINC000160245636 384397435 /nfs/dbraw/zinc/39/74/35/384397435.db2.gz HKHIOTQIMHLIIO-UHFFFAOYSA-N 1 0 225.288 1.861 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000160338128 384401806 /nfs/dbraw/zinc/40/18/06/384401806.db2.gz AUXBWFKJZCBIBL-LLVKDONJSA-N 1 0 219.288 1.349 20 10 BDCDRO CC[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000020194911 384591646 /nfs/dbraw/zinc/59/16/46/384591646.db2.gz PFCWRTFIVYPSDM-NXEZZACHSA-N 1 0 209.289 1.814 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000020195052 384592994 /nfs/dbraw/zinc/59/29/94/384592994.db2.gz VCRWLFYNVIOENQ-SNVBAGLBSA-N 1 0 225.288 1.261 20 10 BDCDRO Cc1cccc(C[NH2+]CCCCCO)c1O ZINC000083352853 384761183 /nfs/dbraw/zinc/76/11/83/384761183.db2.gz OUGPFEIEKIPHGU-UHFFFAOYSA-N 1 0 223.316 1.953 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)CC[NH2+]C1 ZINC000062896291 385195775 /nfs/dbraw/zinc/19/57/75/385195775.db2.gz LDNAYBUZFZROHY-AWEZNQCLSA-N 1 0 248.326 1.350 20 10 BDCDRO C[C@@H](CN(C)C)[NH2+][C@@H](C)c1ccccc1O ZINC000130164172 385225486 /nfs/dbraw/zinc/22/54/86/385225486.db2.gz OXDNMDUOAKECFR-QWRGUYRKSA-N 1 0 222.332 1.993 20 10 BDCDRO CC[C@@H]([NH2+]CCO)c1ccc(N(C)C)cc1 ZINC000166486865 385246368 /nfs/dbraw/zinc/24/63/68/385246368.db2.gz BSXAWMBYRQRURF-CYBMUJFWSA-N 1 0 222.332 1.786 20 10 BDCDRO C[C@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1O ZINC000167431496 385313897 /nfs/dbraw/zinc/31/38/97/385313897.db2.gz NVBZARJTRSCYCU-JTQLQIEISA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000130820481 385287928 /nfs/dbraw/zinc/28/79/28/385287928.db2.gz JCJRTEGZBHURBL-LLVKDONJSA-N 1 0 222.332 1.565 20 10 BDCDRO COC(=O)CN(C)Cc1cc(OC)ccc1O ZINC000179710234 385486113 /nfs/dbraw/zinc/48/61/13/385486113.db2.gz MBKVQFUNGSBFLJ-UHFFFAOYSA-N 1 0 239.271 1.006 20 10 BDCDRO CC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000229970523 385693999 /nfs/dbraw/zinc/69/39/99/385693999.db2.gz ATUQDPYVNRMQIP-SCZZXKLOSA-N 1 0 227.279 1.953 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273564586 385857027 /nfs/dbraw/zinc/85/70/27/385857027.db2.gz JCVRFFBKBLRGON-QWRGUYRKSA-N 1 0 248.326 1.582 20 10 BDCDRO Cc1nc(CC[N@@H+](C)Cc2ccccc2O)no1 ZINC000272317246 385893725 /nfs/dbraw/zinc/89/37/25/385893725.db2.gz STRPMJGWVUOFRK-UHFFFAOYSA-N 1 0 247.298 1.758 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000294779900 385895428 /nfs/dbraw/zinc/89/54/28/385895428.db2.gz NSHMIMSSHGMWOI-KOLCDFICSA-N 1 0 233.315 1.725 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCc2cn[nH]c2)c1 ZINC000289886410 385936005 /nfs/dbraw/zinc/93/60/05/385936005.db2.gz QCUXBQYZSQYRDH-UHFFFAOYSA-N 1 0 231.299 1.756 20 10 BDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000234899302 386114414 /nfs/dbraw/zinc/11/44/14/386114414.db2.gz VASWKLQCASEKSW-GHMZBOCLSA-N 1 0 239.315 1.359 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226616552 386343600 /nfs/dbraw/zinc/34/36/00/386343600.db2.gz SDLVTNZXHNJKAD-NSHDSACASA-N 1 0 227.279 1.782 20 10 BDCDRO C[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000226617975 386344529 /nfs/dbraw/zinc/34/45/29/386344529.db2.gz AYWIXZYERFAXMN-GFCCVEGCSA-N 1 0 225.263 1.800 20 10 BDCDRO COC[C@H](C[NH2+]Cc1cccc(C)c1O)OC ZINC000227717483 386506895 /nfs/dbraw/zinc/50/68/95/386506895.db2.gz YRIDWAUUYZRFNY-LBPRGKRZSA-N 1 0 239.315 1.452 20 10 BDCDRO Cc1ccc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000245843686 386607379 /nfs/dbraw/zinc/60/73/79/386607379.db2.gz BTBDRZHFCNFPQU-AWEZNQCLSA-N 1 0 246.354 1.981 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(F)ccc1O ZINC000295907312 386706090 /nfs/dbraw/zinc/70/60/90/386706090.db2.gz IYUCEQYNSRSHPF-QNSHHTMESA-N 1 0 225.263 1.705 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c(O)c1 ZINC000295851587 386708553 /nfs/dbraw/zinc/70/85/53/386708553.db2.gz DYLBHEQSEROZOG-MXWKQRLJSA-N 1 0 221.300 1.875 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1 ZINC000367786568 387751271 /nfs/dbraw/zinc/75/12/71/387751271.db2.gz YLBZAGHQPZDHSA-FICVDOATSA-N 1 0 246.354 1.423 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]CC2COC2)c1 ZINC000527818215 387706544 /nfs/dbraw/zinc/70/65/44/387706544.db2.gz RDSVKYRLRGQZPT-UHFFFAOYSA-N 1 0 237.299 1.527 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]CC2COC2)c(O)c1 ZINC000528023048 387828808 /nfs/dbraw/zinc/82/88/08/387828808.db2.gz CDQDPEOVRRAVDJ-JTQLQIEISA-N 1 0 221.300 1.998 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](C)CO ZINC000077423741 387911819 /nfs/dbraw/zinc/91/18/19/387911819.db2.gz GVMZZAKAHAGPPY-GHMZBOCLSA-N 1 0 235.327 1.728 20 10 BDCDRO COC[C@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000179946246 397854529 /nfs/dbraw/zinc/85/45/29/397854529.db2.gz XPYAMPIHHQYYAI-VIFPVBQESA-N 1 0 227.279 1.998 20 10 BDCDRO CC1(CO)CC[NH+](Cc2ccccc2O)CC1 ZINC000184072393 168051733 /nfs/dbraw/zinc/05/17/33/168051733.db2.gz FKRHECHIZGFOOK-UHFFFAOYSA-N 1 0 235.327 1.987 20 10 BDCDRO CCOCC[N@H+](C)Cc1cccc(OC)c1O ZINC000156089449 170389965 /nfs/dbraw/zinc/38/99/65/170389965.db2.gz PBLBPMPPFUEHRX-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO CC[C@@](C)(CO)[NH2+]Cc1cc(C)ccc1O ZINC000070898938 171169084 /nfs/dbraw/zinc/16/90/84/171169084.db2.gz YQARMFVPMKLKHF-ZDUSSCGKSA-N 1 0 223.316 1.951 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000127390416 171560738 /nfs/dbraw/zinc/56/07/38/171560738.db2.gz YKCPOVLXYWVJDP-ZDUSSCGKSA-N 1 0 235.327 1.872 20 10 BDCDRO CCc1nnc(C[NH2+]Cc2cccc(C)c2O)[nH]1 ZINC000296115388 171985627 /nfs/dbraw/zinc/98/56/27/171985627.db2.gz SRVIENONOMGFDM-UHFFFAOYSA-N 1 0 246.314 1.671 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)/C=C/C[NH+](C)C ZINC000265882953 172398181 /nfs/dbraw/zinc/39/81/81/172398181.db2.gz JIKVDQJCEPWMIT-RMKNXTFCSA-N 1 0 248.326 1.468 20 10 BDCDRO CN1C[C@@H]([NH2+]Cc2ccccc2O)CCC1=O ZINC000077899907 173187326 /nfs/dbraw/zinc/18/73/26/173187326.db2.gz JIJXAVNNPXPKQT-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000133592127 173298503 /nfs/dbraw/zinc/29/85/03/173298503.db2.gz PYGOEHZCAVGMLU-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccccc1O ZINC000179585201 173301077 /nfs/dbraw/zinc/30/10/77/173301077.db2.gz QQYHCLCNLLIRGF-SNVBAGLBSA-N 1 0 236.315 1.206 20 10 BDCDRO CNC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000228099606 173308870 /nfs/dbraw/zinc/30/88/70/173308870.db2.gz XNAHWMJRMPYMGI-CQSZACIVSA-N 1 0 248.326 1.350 20 10 BDCDRO COCCC[N@H+](C)Cc1ccccc1O ZINC000096477927 174217724 /nfs/dbraw/zinc/21/77/24/174217724.db2.gz AZKYQBDAGWENAW-UHFFFAOYSA-N 1 0 209.289 1.861 20 10 BDCDRO COCCOCC[NH2+]Cc1cc(C)ccc1O ZINC000071408665 174357866 /nfs/dbraw/zinc/35/78/66/174357866.db2.gz WLZYRNQJCXJYCI-UHFFFAOYSA-N 1 0 239.315 1.453 20 10 BDCDRO COc1ccc(C[NH2+]C[C@@H](C)O)cc1C ZINC000035052332 175107156 /nfs/dbraw/zinc/10/71/56/175107156.db2.gz SXZXRHPWASCLLV-SNVBAGLBSA-N 1 0 209.289 1.474 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)CCF)c1 ZINC000293690271 175158109 /nfs/dbraw/zinc/15/81/09/175158109.db2.gz QNOTWTBEUQRHAC-UHFFFAOYSA-N 1 0 213.252 1.802 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCC(C)(C)O)c1 ZINC000274992889 175159022 /nfs/dbraw/zinc/15/90/22/175159022.db2.gz ZLDAHXZTTPNVRA-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@]2(C)CCOC2)c1 ZINC000164777317 175159088 /nfs/dbraw/zinc/15/90/88/175159088.db2.gz NPFLHJUTEDWAKO-ZDUSSCGKSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)CO)c1 ZINC000164726346 175159572 /nfs/dbraw/zinc/15/95/72/175159572.db2.gz WJEAKVSQMSCISL-ZJUUUORDSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CO)c1 ZINC000035602999 175160483 /nfs/dbraw/zinc/16/04/83/175160483.db2.gz DUYOAJLSKAHSLA-DTWKUNHWSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H](C)CCO)c1O ZINC000097435948 175264927 /nfs/dbraw/zinc/26/49/27/175264927.db2.gz ZZJPCKYWHGOAKS-JTQLQIEISA-N 1 0 239.315 1.509 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](C)OC)c1O ZINC000189106839 175266358 /nfs/dbraw/zinc/26/63/58/175266358.db2.gz HKNJXTOKHNKFBH-UWVGGRQHSA-N 1 0 239.315 1.914 20 10 BDCDRO C[C@@H]([NH3+])CCC(=O)N(C)Cc1ccccc1O ZINC000070316961 175804096 /nfs/dbraw/zinc/80/40/96/175804096.db2.gz VVYRBYGKLLBAIU-SNVBAGLBSA-N 1 0 236.315 1.478 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1O ZINC000042544117 176899023 /nfs/dbraw/zinc/89/90/23/176899023.db2.gz APWITNXQFKBVDN-WDEREUQCSA-N 1 0 220.316 1.747 20 10 BDCDRO C[C@H]1C[C@@H](CO)CC[N@@H+]1Cc1ccccc1O ZINC000290144725 177325439 /nfs/dbraw/zinc/32/54/39/177325439.db2.gz KPMDALLQQACRHE-RYUDHWBXSA-N 1 0 235.327 1.985 20 10 BDCDRO C[C@H]([NH2+]CC1COC1)c1ccccc1O ZINC000528028387 262903628 /nfs/dbraw/zinc/90/36/28/262903628.db2.gz WVJLIFSPEXLXHA-VIFPVBQESA-N 1 0 207.273 1.689 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC000373513713 490142279 /nfs/dbraw/zinc/14/22/79/490142279.db2.gz DAOVGGNPFGABTI-AWEZNQCLSA-N 1 0 246.354 1.709 20 10 BDCDRO COc1ccc(O)c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000853246566 588728407 /nfs/dbraw/zinc/72/84/07/588728407.db2.gz MTNGTNDDAJBKER-UHFFFAOYSA-N 1 0 248.326 1.242 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1cc(OC)ccc1O ZINC000853248328 588728890 /nfs/dbraw/zinc/72/88/90/588728890.db2.gz DEJHVWVLEKNSPH-SECBINFHSA-N 1 0 224.304 1.098 20 10 BDCDRO [NH3+][C@@H]1CN(Cc2cccc(F)c2O)CC[C@H]1F ZINC000853247875 588728964 /nfs/dbraw/zinc/72/89/64/588728964.db2.gz DSJGSAOIVNATJC-MWLCHTKSSA-N 1 0 242.269 1.402 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](N)C2)c1O ZINC000853248765 588729220 /nfs/dbraw/zinc/72/92/20/588729220.db2.gz YTDXKCVKICQMJO-VXGBXAGGSA-N 1 0 238.306 1.572 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@@H]1CCc2cccc(O)c21 ZINC000854232471 588781630 /nfs/dbraw/zinc/78/16/30/588781630.db2.gz QUBXYVCTTFBWAG-MWLCHTKSSA-N 1 0 220.316 1.577 20 10 BDCDRO C[C@@H]1CN(Cc2ccccc2O)C[C@H]1[NH3+] ZINC000300048201 582483800 /nfs/dbraw/zinc/48/38/00/582483800.db2.gz IEUNBKBFLVZPCK-MWLCHTKSSA-N 1 0 206.289 1.171 20 10 BDCDRO CC(C)([NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892032950 582767865 /nfs/dbraw/zinc/76/78/65/582767865.db2.gz ARPKHPAMESXOEA-UHFFFAOYSA-N 1 0 249.314 1.155 20 10 BDCDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1O ZINC000725848867 582904563 /nfs/dbraw/zinc/90/45/63/582904563.db2.gz AHMBCBIJUSOIBD-SNVBAGLBSA-N 1 0 232.287 1.162 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)c1O ZINC000814173158 583342406 /nfs/dbraw/zinc/34/24/06/583342406.db2.gz HDIXITNLYCAHNU-JSGCOSHPSA-N 1 0 246.354 1.837 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1COCO1 ZINC000894871357 583539423 /nfs/dbraw/zinc/53/94/23/583539423.db2.gz BRQHZMJSKJXAQZ-JTQLQIEISA-N 1 0 243.690 1.508 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2COCO2)cc1C ZINC000894871976 583540292 /nfs/dbraw/zinc/54/02/92/583540292.db2.gz HOIIHCOPCXCVDQ-GFCCVEGCSA-N 1 0 237.299 1.472 20 10 BDCDRO CC1=NO[C@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000895302965 583644906 /nfs/dbraw/zinc/64/49/06/583644906.db2.gz XZFXGRXGLJFPSI-LBPRGKRZSA-N 1 0 234.299 1.955 20 10 BDCDRO COCC1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000895971957 583756407 /nfs/dbraw/zinc/75/64/07/583756407.db2.gz YUHCRXSXXOARJO-UHFFFAOYSA-N 1 0 221.300 1.779 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863484854 583992312 /nfs/dbraw/zinc/99/23/12/583992312.db2.gz NYUXJVCBLDKPRW-DGCLKSJQSA-N 1 0 234.343 1.931 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC000897681308 584039371 /nfs/dbraw/zinc/03/93/71/584039371.db2.gz QTPLAMHWUUHTPT-UFBFGSQYSA-N 1 0 225.263 1.344 20 10 BDCDRO CC[N@H+](CCC(=O)NC)Cc1ccccc1O ZINC000897709337 584042423 /nfs/dbraw/zinc/04/24/23/584042423.db2.gz AZLFPZLPUXKLPX-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO C[C@@H]1C[C@H]1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841040919 584116943 /nfs/dbraw/zinc/11/69/43/584116943.db2.gz COBYQWHBZIHSHT-ZLDLUXBVSA-N 1 0 247.386 1.998 20 10 BDCDRO CCOc1ccc(CN[C@H]2CC[NH2+]C2)c(O)c1 ZINC000841045418 584122208 /nfs/dbraw/zinc/12/22/08/584122208.db2.gz URSGMHLZNPNYPD-NSHDSACASA-N 1 0 236.315 1.242 20 10 BDCDRO NC(=O)[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000858495300 588960530 /nfs/dbraw/zinc/96/05/30/588960530.db2.gz ZZJOHHPFGSZTEA-DCAQKATOSA-N 1 0 246.310 1.233 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1O ZINC000858494054 588960560 /nfs/dbraw/zinc/96/05/60/588960560.db2.gz MAFRFUJZWHDJAO-OPRDCNLKSA-N 1 0 234.299 1.307 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]CC2COC2)c1O ZINC000858551831 588964687 /nfs/dbraw/zinc/96/46/87/588964687.db2.gz ALZMPRDLXQYEQN-VIFPVBQESA-N 1 0 237.299 1.698 20 10 BDCDRO Nc1ccc(-n2cc([C@H]3CCCC[NH2+]3)nn2)cc1 ZINC000899683136 584224254 /nfs/dbraw/zinc/22/42/54/584224254.db2.gz VIUNHRAYBMKRMC-GFCCVEGCSA-N 1 0 243.314 1.664 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000841076704 584751377 /nfs/dbraw/zinc/75/13/77/584751377.db2.gz MMLVXRQAVZPNQX-ZJUUUORDSA-N 1 0 239.338 1.717 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1cccc(F)c1[O-] ZINC000903964303 584833789 /nfs/dbraw/zinc/83/37/89/584833789.db2.gz IRUGAKDCXIVHCU-KOLCDFICSA-N 1 0 238.306 1.476 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1cc(F)ccc1O ZINC000903964818 584834756 /nfs/dbraw/zinc/83/47/56/584834756.db2.gz WLYSJNIGXMSIBM-LDYMZIIASA-N 1 0 224.279 1.229 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1ccc2c(c1)CCCO2 ZINC000904355318 584870720 /nfs/dbraw/zinc/87/07/20/584870720.db2.gz PWMMLADVCAATTH-CYBMUJFWSA-N 1 0 234.343 1.839 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000904355996 584871287 /nfs/dbraw/zinc/87/12/87/584871287.db2.gz ZHTGWJFQAOBRSI-MNOVXSKESA-N 1 0 234.343 1.837 20 10 BDCDRO CCOc1ccc(C[NH2+]CC[C@H](C)O)c(O)c1 ZINC000758478976 584905813 /nfs/dbraw/zinc/90/58/13/584905813.db2.gz AAHWJYFMZVOPGK-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccccc1O ZINC000838916121 585078151 /nfs/dbraw/zinc/07/81/51/585078151.db2.gz DVFBHNBAXFUJPT-MNOVXSKESA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1CCCNC1=O)c1ccccc1O ZINC000838916124 585078228 /nfs/dbraw/zinc/07/82/28/585078228.db2.gz DVFBHNBAXFUJPT-QWRGUYRKSA-N 1 0 248.326 1.569 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H](CO)C2CC2)cc1C ZINC000742371116 585125274 /nfs/dbraw/zinc/12/52/74/585125274.db2.gz IBSRCCMLQUUUCU-CYBMUJFWSA-N 1 0 235.327 1.870 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CC(N)=O)cc1C ZINC000746474459 585168410 /nfs/dbraw/zinc/16/84/10/585168410.db2.gz CQUXXETXBDXTJC-JTQLQIEISA-N 1 0 236.315 1.363 20 10 BDCDRO C[C@H](CC[NH+](C)C)NC(=O)C1=CC(=O)CS1 ZINC000748362323 585191804 /nfs/dbraw/zinc/19/18/04/585191804.db2.gz FCEQSGCLMOHSHS-MRVPVSSYSA-N 1 0 242.344 1.524 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCN(C)C1 ZINC000756116795 585314536 /nfs/dbraw/zinc/31/45/36/585314536.db2.gz BSCWCEZCRONIAR-AWEZNQCLSA-N 1 0 247.386 1.855 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN(C)[C@H](C)C[NH3+] ZINC000843051901 585331154 /nfs/dbraw/zinc/33/11/54/585331154.db2.gz MFZLYNZXLHRZJN-GFCCVEGCSA-N 1 0 235.375 1.840 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)C1CC(O)C1 ZINC000761223228 585412489 /nfs/dbraw/zinc/41/24/89/585412489.db2.gz NPGFESQJKIMPAD-UHFFFAOYSA-N 1 0 237.299 1.356 20 10 BDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768439915 585538270 /nfs/dbraw/zinc/53/82/70/585538270.db2.gz ACURHDAIXZJSGT-LBPRGKRZSA-N 1 0 235.283 1.412 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000769541440 585559123 /nfs/dbraw/zinc/55/91/23/585559123.db2.gz BFILHFLJJYUQEH-CYBMUJFWSA-N 1 0 237.299 1.358 20 10 BDCDRO COC(=O)C(C)(C)N(C)Cc1ccccc1O ZINC000770510839 585575320 /nfs/dbraw/zinc/57/53/20/585575320.db2.gz RNINLMIMCYFBBG-UHFFFAOYSA-N 1 0 237.299 1.776 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCNC2=O)c1O ZINC000775743466 585683715 /nfs/dbraw/zinc/68/37/15/585683715.db2.gz HJNQWLAAMDLIKG-LLVKDONJSA-N 1 0 234.299 1.021 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@H](C)CN1C ZINC000775987318 585688795 /nfs/dbraw/zinc/68/87/95/585688795.db2.gz VKSQXHBMKHJWEF-VXGBXAGGSA-N 1 0 234.343 1.917 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)C2CC2)c1 ZINC000776176981 585691785 /nfs/dbraw/zinc/69/17/85/585691785.db2.gz HDTFAGCSZVLGJJ-LBPRGKRZSA-N 1 0 237.299 1.261 20 10 BDCDRO CNC(=O)C1([NH2+]Cc2ccccc2O)CCCC1 ZINC000779173072 585746799 /nfs/dbraw/zinc/74/67/99/585746799.db2.gz AOYBXIHVADVTHJ-UHFFFAOYSA-N 1 0 248.326 1.541 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788270956 585920651 /nfs/dbraw/zinc/92/06/51/585920651.db2.gz XPABBELVVIWMFU-MWLCHTKSSA-N 1 0 237.299 1.356 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCCCCO ZINC000790483812 585965253 /nfs/dbraw/zinc/96/52/53/585965253.db2.gz SXNJQVCFYBJIEJ-UHFFFAOYSA-N 1 0 239.315 1.653 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)CCCO ZINC000799738951 586195446 /nfs/dbraw/zinc/19/54/46/586195446.db2.gz DBRHTOSDSOOBKH-UHFFFAOYSA-N 1 0 225.288 1.215 20 10 BDCDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1O ZINC000801733378 586269858 /nfs/dbraw/zinc/26/98/58/586269858.db2.gz DRIXKLDRVRFCPG-LBPRGKRZSA-N 1 0 248.326 1.539 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCOCC12CC2 ZINC000802658447 586308526 /nfs/dbraw/zinc/30/85/26/586308526.db2.gz BEIPIBVMDFMZFF-UHFFFAOYSA-N 1 0 219.284 1.757 20 10 BDCDRO COc1cccc(O)c1C[NH2+]Cc1cncn1C ZINC000810160153 586535971 /nfs/dbraw/zinc/53/59/71/586535971.db2.gz WJQVOKFMNZLNPT-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1c(O)cccc1OC ZINC000816637178 586746405 /nfs/dbraw/zinc/74/64/05/586746405.db2.gz VRAPMELJBWHFLD-SNVBAGLBSA-N 1 0 237.299 1.622 20 10 BDCDRO CC[C@H]([NH2+]CCN)c1ccc(N(C)C)cc1 ZINC000817934249 586843369 /nfs/dbraw/zinc/84/33/69/586843369.db2.gz DWIHTKAOLIIZTG-ZDUSSCGKSA-N 1 0 221.348 1.752 20 10 BDCDRO C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817951244 586843892 /nfs/dbraw/zinc/84/38/92/586843892.db2.gz CGLPMKZKSXVONN-IUCAKERBSA-N 1 0 226.295 1.919 20 10 BDCDRO C[C@@H]([NH2+]CCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817938984 586844459 /nfs/dbraw/zinc/84/44/59/586844459.db2.gz WXVKOMYHCXGZRL-MRVPVSSYSA-N 1 0 239.275 1.300 20 10 BDCDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817945300 586845860 /nfs/dbraw/zinc/84/58/60/586845860.db2.gz ZBPSFXMPMBJCFF-PSASIEDQSA-N 1 0 224.279 1.544 20 10 BDCDRO Cc1ccc([C@H](C)N[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000817944587 586846649 /nfs/dbraw/zinc/84/66/49/586846649.db2.gz HGRSXBNSDIXAFX-WDEREUQCSA-N 1 0 220.316 1.713 20 10 BDCDRO CC[NH2+]CCN[C@H](C)c1cc(OC)ccc1O ZINC000817951896 586847567 /nfs/dbraw/zinc/84/75/67/586847567.db2.gz KXWSLDUBVBZABI-SNVBAGLBSA-N 1 0 238.331 1.661 20 10 BDCDRO C[NH2+]CCN[C@@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817952592 586847751 /nfs/dbraw/zinc/84/77/51/586847751.db2.gz RULDXIWTMGXGDA-WCBMZHEXSA-N 1 0 238.306 1.889 20 10 BDCDRO C[C@H](NCC[NH2+]C1CC1)c1ccccc1O ZINC000817953726 586848754 /nfs/dbraw/zinc/84/87/54/586848754.db2.gz PSSRKVNLRZYDJQ-JTQLQIEISA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@@H](NCC[NH2+]C1CC1)c1ccccc1O ZINC000817953727 586849286 /nfs/dbraw/zinc/84/92/86/586849286.db2.gz PSSRKVNLRZYDJQ-SNVBAGLBSA-N 1 0 220.316 1.795 20 10 BDCDRO Cc1cc(Cl)cc([C@H](C)NC2C[NH2+]C2)c1O ZINC000817956311 586849598 /nfs/dbraw/zinc/84/95/98/586849598.db2.gz WGZMAMLLKNRBPT-QMMMGPOBSA-N 1 0 240.734 1.976 20 10 BDCDRO C[C@@H]1C[C@H](NC2C[NH2+]C2)c2c1c(F)ccc2O ZINC000817955442 586849621 /nfs/dbraw/zinc/84/96/21/586849621.db2.gz AVZBVQWXOLELBU-XCBNKYQSSA-N 1 0 236.290 1.641 20 10 BDCDRO CC[C@H](NC1C[NH2+]C1)c1ccccc1O ZINC000817955698 586849754 /nfs/dbraw/zinc/84/97/54/586849754.db2.gz FQJQJHBOIYXGHV-NSHDSACASA-N 1 0 206.289 1.405 20 10 BDCDRO CC[C@H](NC1C[NH2+]C1)c1ccc(C)cc1O ZINC000817955498 586849796 /nfs/dbraw/zinc/84/97/96/586849796.db2.gz CKKVYTRFLFOVGM-LBPRGKRZSA-N 1 0 220.316 1.713 20 10 BDCDRO C[C@@H](NC1C[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817955644 586849928 /nfs/dbraw/zinc/84/99/28/586849928.db2.gz DMXQMLOTJAVKKN-SNVBAGLBSA-N 1 0 246.354 1.893 20 10 BDCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCCO1 ZINC000817957876 586850326 /nfs/dbraw/zinc/85/03/26/586850326.db2.gz QIRNHEGRXCKETH-FZMZJTMJSA-N 1 0 234.343 1.968 20 10 BDCDRO C[C@H](CCCCO)[NH2+]CCc1ccc(N)cc1 ZINC000817958463 586850435 /nfs/dbraw/zinc/85/04/35/586850435.db2.gz WFYAFYVJKJUHRM-GFCCVEGCSA-N 1 0 236.359 1.952 20 10 BDCDRO C[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957637 586850445 /nfs/dbraw/zinc/85/04/45/586850445.db2.gz NHBJGIHSTBYUOL-RISCZKNCSA-N 1 0 234.343 1.826 20 10 BDCDRO CO[C@@H](C)[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956321 586850471 /nfs/dbraw/zinc/85/04/71/586850471.db2.gz WJAPVKXGDPGUNU-MNOVXSKESA-N 1 0 222.332 1.824 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CCO1 ZINC000817956435 586850773 /nfs/dbraw/zinc/85/07/73/586850773.db2.gz YYPPZWLLNXKDNF-BXUZGUMPSA-N 1 0 234.343 1.968 20 10 BDCDRO C[C@H](C[NH3+])N[C@@H](C)c1cc(F)ccc1O ZINC000817966283 586855067 /nfs/dbraw/zinc/85/50/67/586855067.db2.gz KHDXHVNKKFDADO-SFYZADRCSA-N 1 0 212.268 1.529 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN)c1 ZINC000817966897 586855212 /nfs/dbraw/zinc/85/52/12/586855212.db2.gz YBJFFPQBBAMXQT-ZJUUUORDSA-N 1 0 208.305 1.698 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CC[C@H]1O)CC2 ZINC000818358282 586888906 /nfs/dbraw/zinc/88/89/06/586888906.db2.gz SRRYNPUUXFDBGR-GMTAPVOTSA-N 1 0 219.284 1.492 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000818357725 586889080 /nfs/dbraw/zinc/88/90/80/586889080.db2.gz JUMHREUCNPUGDH-ZLKJLUDKSA-N 1 0 234.343 1.927 20 10 BDCDRO C[NH+](C)CCCNC(=O)C1=CC(=O)CS1 ZINC000823645758 587234324 /nfs/dbraw/zinc/23/43/24/587234324.db2.gz RPZOXHHBKOJTKH-UHFFFAOYSA-N 1 0 228.317 1.135 20 10 BDCDRO CC[C@H](CO)[N@H+](C)Cc1cc(F)ccc1O ZINC000824533275 587273861 /nfs/dbraw/zinc/27/38/61/587273861.db2.gz COGCNRULADXUIM-LLVKDONJSA-N 1 0 227.279 1.734 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000825257064 587311539 /nfs/dbraw/zinc/31/15/39/587311539.db2.gz SSBAMZHCRLBOTD-BBBLOLIVSA-N 1 0 237.299 1.575 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1 ZINC000825311807 587314051 /nfs/dbraw/zinc/31/40/51/587314051.db2.gz OIZZMTGOYZLWEJ-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827289875 587375418 /nfs/dbraw/zinc/37/54/18/587375418.db2.gz DOAIPLUTUUVMRJ-SMDDNHRTSA-N 1 0 249.310 1.358 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@@H](C)[NH3+] ZINC000829764537 587514595 /nfs/dbraw/zinc/51/45/95/587514595.db2.gz OFCUCJHXMLCCKJ-LLVKDONJSA-N 1 0 249.358 1.415 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000832250164 587651965 /nfs/dbraw/zinc/65/19/65/587651965.db2.gz LKTKEVPOBDDNLF-NSHDSACASA-N 1 0 219.288 1.335 20 10 BDCDRO CC(C)C(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284805 587653397 /nfs/dbraw/zinc/65/33/97/587653397.db2.gz MSFTVTFPJIOEIO-ZDUSSCGKSA-N 1 0 249.358 1.525 20 10 BDCDRO COC(=O)[C@H](CC1CC1)NCc1ccccc1O ZINC000840957719 587931881 /nfs/dbraw/zinc/93/18/81/587931881.db2.gz MPGJWBDCEAHKKJ-LBPRGKRZSA-N 1 0 249.310 1.824 20 10 BDCDRO C[NH2+]CCNCc1cc(C)c(C)cc1O ZINC000841037320 587935043 /nfs/dbraw/zinc/93/50/43/587935043.db2.gz YJJALRUMJRSOLK-UHFFFAOYSA-N 1 0 208.305 1.318 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000841024391 587935706 /nfs/dbraw/zinc/93/57/06/587935706.db2.gz MUENRNIMYCHRRE-WFASDCNBSA-N 1 0 247.386 1.983 20 10 BDCDRO C[C@@H]1OCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841033804 587937379 /nfs/dbraw/zinc/93/73/79/587937379.db2.gz BJOZTJLHIXCFEN-GWCFXTLKSA-N 1 0 220.316 1.578 20 10 BDCDRO CC[NH2+]CCNC/C=C\c1ccc(N(C)C)cc1 ZINC000841036658 587937447 /nfs/dbraw/zinc/93/74/47/587937447.db2.gz UYDOKHRSJAQWSV-WAYWQWQTSA-N 1 0 247.386 1.965 20 10 BDCDRO COC[C@H](C)C[NH2+]CCc1ccc(N)cc1 ZINC000841038928 587938744 /nfs/dbraw/zinc/93/87/44/587938744.db2.gz UYYYOGRAEBEPEY-LLVKDONJSA-N 1 0 222.332 1.683 20 10 BDCDRO CN(C)c1ccc(/C=C/CN[C@@H]2CC[NH2+]C2)cc1 ZINC000841045486 587939154 /nfs/dbraw/zinc/93/91/54/587939154.db2.gz WJEULSHDCWYREH-RDFMZFSFSA-N 1 0 245.370 1.717 20 10 BDCDRO COc1cccc(O)c1CN[C@H]1CCC[NH2+]C1 ZINC000841043053 587939278 /nfs/dbraw/zinc/93/92/78/587939278.db2.gz NMWFCPACTATEMC-JTQLQIEISA-N 1 0 236.315 1.242 20 10 BDCDRO [NH3+][C@@H](CNCc1ccc2c(c1)CCO2)C1CC1 ZINC000841049296 587940033 /nfs/dbraw/zinc/94/00/33/587940033.db2.gz JKOONPMIUQLAJC-ZDUSSCGKSA-N 1 0 232.327 1.448 20 10 BDCDRO Cc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057607 587940518 /nfs/dbraw/zinc/94/05/18/587940518.db2.gz ASTHZKSTMQGGJD-GXFFZTMASA-N 1 0 234.343 1.788 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1ccc(N(C)C)cc1 ZINC000841064321 587941402 /nfs/dbraw/zinc/94/14/02/587941402.db2.gz AQXKFGNMAOQVBK-GFCCVEGCSA-N 1 0 235.375 1.840 20 10 BDCDRO CC[C@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841071340 587942347 /nfs/dbraw/zinc/94/23/47/587942347.db2.gz DIWCNMZYVQXFEE-VIFPVBQESA-N 1 0 228.723 1.873 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1cc(F)ccc1O ZINC000841072589 587943891 /nfs/dbraw/zinc/94/38/91/587943891.db2.gz QOVDBSMWMFGKLU-SNVBAGLBSA-N 1 0 212.268 1.358 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000841078627 587944991 /nfs/dbraw/zinc/94/49/91/587944991.db2.gz GMWHQKDSQOZCLY-UWVGGRQHSA-N 1 0 220.316 1.447 20 10 BDCDRO Oc1c(F)cccc1CN[C@H]1CCCC[NH2+]C1 ZINC000841090366 587945807 /nfs/dbraw/zinc/94/58/07/587945807.db2.gz OJOXDCDMPDOOBK-NSHDSACASA-N 1 0 238.306 1.763 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN(C)CC[NH3+] ZINC000841101220 587946741 /nfs/dbraw/zinc/94/67/41/587946741.db2.gz SFALYGUUMOIFCF-UHFFFAOYSA-N 1 0 221.348 1.452 20 10 BDCDRO C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)C[NH2+]1 ZINC000841849469 587977775 /nfs/dbraw/zinc/97/77/75/587977775.db2.gz WHRDXWPTDQCMCG-MNOVXSKESA-N 1 0 247.342 1.020 20 10 BDCDRO CCOc1ccc(CN(C)[C@H](C)C[NH3+])c(O)c1 ZINC000843051474 588077227 /nfs/dbraw/zinc/07/72/27/588077227.db2.gz JCJWSNPWPBXJRQ-SNVBAGLBSA-N 1 0 238.331 1.570 20 10 BDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccccc1O ZINC000843121696 588083164 /nfs/dbraw/zinc/08/31/64/588083164.db2.gz HPBRANHVWCYTIR-RYUDHWBXSA-N 1 0 238.306 1.524 20 10 BDCDRO COc1cccc(O)c1CN(C)C1CC([NH3+])C1 ZINC000843125278 588083218 /nfs/dbraw/zinc/08/32/18/588083218.db2.gz QRGLJMIGSDCOLP-UHFFFAOYSA-N 1 0 236.315 1.322 20 10 BDCDRO CCOc1ccc(O)c(CN(C)C2C[NH2+]C2)c1 ZINC000843124729 588083360 /nfs/dbraw/zinc/08/33/60/588083360.db2.gz LSTSXRYHSQZAQZ-UHFFFAOYSA-N 1 0 236.315 1.195 20 10 BDCDRO Cc1cccc(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1O ZINC000843120113 588083609 /nfs/dbraw/zinc/08/36/09/588083609.db2.gz XVAXHMUNUWWCIZ-RYUDHWBXSA-N 1 0 234.343 1.883 20 10 BDCDRO CCOc1ccc(CN(C)C2C[NH2+]C2)c(O)c1 ZINC000843124972 588083698 /nfs/dbraw/zinc/08/36/98/588083698.db2.gz SWZGQQQKXCJGGN-UHFFFAOYSA-N 1 0 236.315 1.195 20 10 BDCDRO Cc1cccc(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1O ZINC000843120111 588084015 /nfs/dbraw/zinc/08/40/15/588084015.db2.gz XVAXHMUNUWWCIZ-NEPJUHHUSA-N 1 0 234.343 1.883 20 10 BDCDRO [NH3+]CC1(CC[NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000844903963 588218825 /nfs/dbraw/zinc/21/88/25/588218825.db2.gz TWPKANYDSIRXOD-UHFFFAOYSA-N 1 0 238.306 1.750 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]C[C@@H](C)O)c1O ZINC000846138307 588258470 /nfs/dbraw/zinc/25/84/70/588258470.db2.gz QEOVCYYSVFFBJN-RKDXNWHRSA-N 1 0 225.288 1.432 20 10 BDCDRO CC[C@H](CO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846135201 588258578 /nfs/dbraw/zinc/25/85/78/588258578.db2.gz CBSCDJISGIIBOI-NXEZZACHSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CCO)c1O ZINC000846148454 588258629 /nfs/dbraw/zinc/25/86/29/588258629.db2.gz ZQIAZJMAXXYUFA-NXEZZACHSA-N 1 0 239.315 1.822 20 10 BDCDRO NC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000846195731 588259629 /nfs/dbraw/zinc/25/96/29/588259629.db2.gz ZZJOHHPFGSZTEA-AXFHLTTASA-N 1 0 246.310 1.233 20 10 BDCDRO OC[C@H](CCF)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000846210321 588259695 /nfs/dbraw/zinc/25/96/95/588259695.db2.gz XZNCRZMAPNEVPG-WDEREUQCSA-N 1 0 239.290 1.690 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000848915532 588420403 /nfs/dbraw/zinc/42/04/03/588420403.db2.gz XEZRYJMLCMSVSR-TXEJJXNPSA-N 1 0 221.300 1.568 20 10 BDCDRO CN(C)c1ccc(CNC2=[NH+]CCCN2C)cc1 ZINC000848982346 588423945 /nfs/dbraw/zinc/42/39/45/588423945.db2.gz JSOUXNSCNVRDLR-UHFFFAOYSA-N 1 0 246.358 1.534 20 10 BDCDRO COc1ccc(CNC2=[NH+]CCCN2C)c(O)c1 ZINC000849025190 588440230 /nfs/dbraw/zinc/44/02/30/588440230.db2.gz SIWQLUPJLRVUKL-UHFFFAOYSA-N 1 0 249.314 1.182 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C/C=C\CO ZINC000850358032 588539026 /nfs/dbraw/zinc/53/90/26/588539026.db2.gz ZRFDDFAJGGPTQD-IHWYPQMZSA-N 1 0 223.272 1.039 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccccc1O ZINC000850578798 588561722 /nfs/dbraw/zinc/56/17/22/588561722.db2.gz NZAITOBZQDNQSU-GUBZILKMSA-N 1 0 207.273 1.566 20 10 BDCDRO Nc1ccc(NC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000851633719 588612180 /nfs/dbraw/zinc/61/21/80/588612180.db2.gz QXPAGBNDAMOZTD-UHFFFAOYSA-N 1 0 245.326 1.869 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1O ZINC000862546114 589219849 /nfs/dbraw/zinc/21/98/49/589219849.db2.gz GYVLWTFVJMTNGS-VXGBXAGGSA-N 1 0 247.294 1.305 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000863483596 589293070 /nfs/dbraw/zinc/29/30/70/589293070.db2.gz OGNCMAGOXKGNJO-LSDHHAIUSA-N 1 0 247.386 1.983 20 10 BDCDRO Cc1cc(O)c(CN(C)C[C@@H](C)[NH3+])cc1C ZINC000863652441 589307400 /nfs/dbraw/zinc/30/74/00/589307400.db2.gz SYBRAKCPAHUUCB-LLVKDONJSA-N 1 0 222.332 1.788 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[NH2+][C@H]1C ZINC000863651639 589307762 /nfs/dbraw/zinc/30/77/62/589307762.db2.gz CTVRMNWBFVDQNN-SWLSCSKDSA-N 1 0 247.386 1.901 20 10 BDCDRO C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccccc1O ZINC000870988561 589706615 /nfs/dbraw/zinc/70/66/15/589706615.db2.gz SNMSONWTUKBZNJ-NOZJJQNGSA-N 1 0 248.326 1.697 20 10 BDCDRO C[C@@H](NC(=O)C(C)(C)C[NH3+])c1ccccc1O ZINC000870988212 589706626 /nfs/dbraw/zinc/70/66/26/589706626.db2.gz JBPUJKQSPSCEOP-SECBINFHSA-N 1 0 236.315 1.554 20 10 BDCDRO C[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1O ZINC000870988773 589707768 /nfs/dbraw/zinc/70/77/68/589707768.db2.gz ZDAFYLQGHORIFP-YGRLFVJLSA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccccc1O ZINC000872141369 589882526 /nfs/dbraw/zinc/88/25/26/589882526.db2.gz UCYPRVWXPPAQMV-IRUJWGPZSA-N 1 0 237.299 1.193 20 10 BDCDRO Cc1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000873217819 589997995 /nfs/dbraw/zinc/99/79/95/589997995.db2.gz QYJOLJKFYFYWFP-BETUJISGSA-N 1 0 232.327 1.637 20 10 BDCDRO CC[C@@H]1[C@@H](C(=O)Nc2ccc(N)cc2)CC[N@@H+]1C ZINC000876504321 590203974 /nfs/dbraw/zinc/20/39/74/590203974.db2.gz MUBPDLHSMRZWNM-QWHCGFSZSA-N 1 0 247.342 1.938 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876504049 590204229 /nfs/dbraw/zinc/20/42/29/590204229.db2.gz ILRAFXKDDUKUPA-KWQFWETISA-N 1 0 237.278 1.155 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC000876528125 590209262 /nfs/dbraw/zinc/20/92/62/590209262.db2.gz PXCUDPZUZNUCQR-GFCCVEGCSA-N 1 0 221.300 1.657 20 10 BDCDRO CCOC(=O)CN(C)Cc1ccc(C)cc1O ZINC000876565449 590216773 /nfs/dbraw/zinc/21/67/73/590216773.db2.gz JHDPZVQTDSWADQ-UHFFFAOYSA-N 1 0 237.299 1.696 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1O ZINC000876814351 590245691 /nfs/dbraw/zinc/24/56/91/590245691.db2.gz DZQCRRINBWYFHW-FZMZJTMJSA-N 1 0 235.327 1.903 20 10 BDCDRO CC(=O)NCCC[NH2+]Cc1c(C)cccc1O ZINC000876911905 590255940 /nfs/dbraw/zinc/25/59/40/590255940.db2.gz AHFKXEGLGIIYRG-UHFFFAOYSA-N 1 0 236.315 1.316 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H](O)C(F)(F)F)c(O)c1 ZINC000876965719 590262077 /nfs/dbraw/zinc/26/20/77/590262077.db2.gz IUGPIJGFNFSJLY-SNVBAGLBSA-N 1 0 249.232 1.713 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CCN(C)C2)c(O)c1 ZINC000877019457 590269912 /nfs/dbraw/zinc/26/99/12/590269912.db2.gz MQGXBXRWLOEXRE-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@](C)(O)C1CC1 ZINC000877028654 590271435 /nfs/dbraw/zinc/27/14/35/590271435.db2.gz CFGVHBCSEBKTLH-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)C(C)C ZINC000877037436 590273052 /nfs/dbraw/zinc/27/30/52/590273052.db2.gz QUGMCFQKSJATEJ-ZDUSSCGKSA-N 1 0 223.316 1.807 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)[C@H](C)CO)c(O)c1 ZINC000877057452 590275883 /nfs/dbraw/zinc/27/58/83/590275883.db2.gz FCUHILBRTHWRCN-MNOVXSKESA-N 1 0 223.316 1.807 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c(O)c1 ZINC000877071443 590277517 /nfs/dbraw/zinc/27/75/17/590277517.db2.gz NWOMKGZRVDBHPS-YPMHNXCESA-N 1 0 235.327 1.951 20 10 BDCDRO CC[C@@H]([NH2+]C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074166 590278170 /nfs/dbraw/zinc/27/81/70/590278170.db2.gz APMFCCULQPHAKX-LLVKDONJSA-N 1 0 221.304 1.230 20 10 BDCDRO CN(C(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccc(N)cc1 ZINC000877074955 590278265 /nfs/dbraw/zinc/27/82/65/590278265.db2.gz WCZICOJIJJJSLH-NEPJUHHUSA-N 1 0 233.315 1.359 20 10 BDCDRO C[C@H]1CC[NH2+][C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877076699 590278961 /nfs/dbraw/zinc/27/89/61/590278961.db2.gz UDDXLQQQDSQLFI-GWCFXTLKSA-N 1 0 247.342 1.620 20 10 BDCDRO CN(C(=O)C1(C[NH3+])CCCC1)c1ccc(N)cc1 ZINC000877078716 590279339 /nfs/dbraw/zinc/27/93/39/590279339.db2.gz BIIJCSSPGLICAA-UHFFFAOYSA-N 1 0 247.342 1.751 20 10 BDCDRO COC[C@@H](O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877125508 590290153 /nfs/dbraw/zinc/29/01/53/590290153.db2.gz OBNASCVAGPFPHK-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(C[NH2+]CCCOCCO)c(O)c1 ZINC000877184912 590298462 /nfs/dbraw/zinc/29/84/62/590298462.db2.gz SSEICHBFSNXCPQ-UHFFFAOYSA-N 1 0 239.315 1.189 20 10 BDCDRO CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000877256864 590304345 /nfs/dbraw/zinc/30/43/45/590304345.db2.gz GMNNGZXJLSKZIH-UWVGGRQHSA-N 1 0 236.315 1.567 20 10 BDCDRO CCN(C)C(=O)C[NH2+]Cc1ccc(C)cc1O ZINC000877421333 590325486 /nfs/dbraw/zinc/32/54/86/590325486.db2.gz CCDUTHRVAPVNDJ-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000877534754 590349758 /nfs/dbraw/zinc/34/97/58/590349758.db2.gz GWLQLBDDLDVGNX-LLVKDONJSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000877534755 590349920 /nfs/dbraw/zinc/34/99/20/590349920.db2.gz GWLQLBDDLDVGNX-NSHDSACASA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c(O)c1 ZINC000877569112 590362272 /nfs/dbraw/zinc/36/22/72/590362272.db2.gz HDWGXMGAGILXEN-LLVKDONJSA-N 1 0 234.299 1.150 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(O)(C(C)C)C1 ZINC000877580616 590364493 /nfs/dbraw/zinc/36/44/93/590364493.db2.gz VCTAZOUEZUCNRI-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c(O)c1 ZINC000877593593 590369157 /nfs/dbraw/zinc/36/91/57/590369157.db2.gz WSDYSEMIXODHQD-BJHJDKERSA-N 1 0 221.300 1.704 20 10 BDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877594988 590370407 /nfs/dbraw/zinc/37/04/07/590370407.db2.gz PADZZHIBWSENRI-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CCC[C@@H]2O)c(O)c1 ZINC000877700288 590394024 /nfs/dbraw/zinc/39/40/24/590394024.db2.gz LPLDVWHACSPAPK-RYUDHWBXSA-N 1 0 221.300 1.704 20 10 BDCDRO Nc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000127613994 590724774 /nfs/dbraw/zinc/72/47/74/590724774.db2.gz CWQVMXDQZOFEKK-SECBINFHSA-N 1 0 219.288 1.207 20 10 BDCDRO C[C@@H]([NH2+]CC[C@H]1CCNC1=O)c1ccccc1O ZINC000879649584 590841678 /nfs/dbraw/zinc/84/16/78/590841678.db2.gz WQGJEXYYLWNLPU-MNOVXSKESA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@@H]([NH2+]CC[C@@H]1CCNC1=O)c1ccccc1O ZINC000879649582 590842213 /nfs/dbraw/zinc/84/22/13/590842213.db2.gz WQGJEXYYLWNLPU-GHMZBOCLSA-N 1 0 248.326 1.569 20 10 BDCDRO CC[N@H+](CCO)Cc1cc(Cl)ccc1O ZINC000127958941 590852764 /nfs/dbraw/zinc/85/27/64/590852764.db2.gz ZMOOCVMQRUEHNO-UHFFFAOYSA-N 1 0 229.707 1.860 20 10 BDCDRO CC(C)[N@@H+](Cc1ccccc1O)C[C@@H](C)O ZINC000128552531 591119673 /nfs/dbraw/zinc/11/96/73/591119673.db2.gz BBALSPDLIZQGGQ-LLVKDONJSA-N 1 0 223.316 1.983 20 10 BDCDRO C[C@H]([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270876 591176777 /nfs/dbraw/zinc/17/67/77/591176777.db2.gz CZBMCGCGYSTACA-JTQLQIEISA-N 1 0 245.330 1.412 20 10 BDCDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000130182121 591447219 /nfs/dbraw/zinc/44/72/19/591447219.db2.gz CXMIGFCGNWRZPK-LLVKDONJSA-N 1 0 236.315 1.382 20 10 BDCDRO COc1ccc(C[NH2+]Cc2ccn(C)n2)c(O)c1 ZINC000213105634 591448881 /nfs/dbraw/zinc/44/88/81/591448881.db2.gz XIQVLXBKZNLXHK-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccn(C)n1)c1ccccc1O ZINC000213218877 591455768 /nfs/dbraw/zinc/45/57/68/591455768.db2.gz BYNNPSIUYNDCQN-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1C ZINC000130534425 591480507 /nfs/dbraw/zinc/48/05/07/591480507.db2.gz FMYWPQXZHIQXJN-CYBMUJFWSA-N 1 0 249.358 1.415 20 10 BDCDRO CON(C)CC[NH2+]Cc1c(O)cccc1Cl ZINC000883172543 591562929 /nfs/dbraw/zinc/56/29/29/591562929.db2.gz KVYZHCYJYHHMST-UHFFFAOYSA-N 1 0 244.722 1.628 20 10 BDCDRO CCN(CC[NH3+])Cc1c(O)cccc1Cl ZINC000300868168 592523440 /nfs/dbraw/zinc/52/34/40/592523440.db2.gz WROYKGCUFJLMLZ-UHFFFAOYSA-N 1 0 228.723 1.826 20 10 BDCDRO CC1(C)C[NH2+]CCN1Cc1cc(F)ccc1O ZINC000220294871 635301618 /nfs/dbraw/zinc/30/16/18/635301618.db2.gz LQLDSLHAXCNNTK-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@@H]2CNOC2)cc1 ZINC000925865124 635565727 /nfs/dbraw/zinc/56/57/27/635565727.db2.gz USXXFVPXWJNLNP-DGCLKSJQSA-N 1 0 249.358 1.697 20 10 BDCDRO C[NH2+]C[C@@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000161192520 631797361 /nfs/dbraw/zinc/79/73/61/631797361.db2.gz NELWLMKIBGMYRN-ZDUSSCGKSA-N 1 0 247.342 1.022 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)C[C@H](C)O)c1O ZINC000164591495 633079285 /nfs/dbraw/zinc/07/92/85/633079285.db2.gz AQYRANUDWXQLOD-QWRGUYRKSA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(F)ccc1O ZINC000168830504 633151530 /nfs/dbraw/zinc/15/15/30/633151530.db2.gz DSQBONJJNUCYSL-JGVFFNPUSA-N 1 0 240.278 1.446 20 10 BDCDRO COc1cccc(C[NH2+]CC2(F)CC2)c1O ZINC000309923632 634043828 /nfs/dbraw/zinc/04/38/28/634043828.db2.gz UIFHNFASAKCDLX-UHFFFAOYSA-N 1 0 225.263 1.993 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)[C@@H]1CO ZINC000191179446 634205925 /nfs/dbraw/zinc/20/59/25/634205925.db2.gz ZVPANAHJGCLZTH-CMPLNLGQSA-N 1 0 221.300 1.595 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)[C@H](C)CO)c1O ZINC000162671846 634271550 /nfs/dbraw/zinc/27/15/50/634271550.db2.gz KBECCLUOTJTVEC-GHMZBOCLSA-N 1 0 223.316 1.807 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC[C@H]1CNC(=O)C1 ZINC000896897764 636246537 /nfs/dbraw/zinc/24/65/37/636246537.db2.gz VPDHYMCSFXDQON-LLVKDONJSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1 ZINC000079926328 636740574 /nfs/dbraw/zinc/74/05/74/636740574.db2.gz PALJTDBTRRVWSR-QWRGUYRKSA-N 1 0 248.326 1.630 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897844547 636838496 /nfs/dbraw/zinc/83/84/96/636838496.db2.gz RTAOQAGTOJMLMK-IWXRYERYSA-N 1 0 233.311 1.704 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000323039838 636892702 /nfs/dbraw/zinc/89/27/02/636892702.db2.gz OIXZRNTXKFKLBG-MRVPVSSYSA-N 1 0 240.278 1.146 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000323039845 636892735 /nfs/dbraw/zinc/89/27/35/636892735.db2.gz OIXZRNTXKFKLBG-QMMMGPOBSA-N 1 0 240.278 1.146 20 10 BDCDRO C[C@@]1(C(=O)Nc2ccc(N)cc2)CC[NH2+]C1 ZINC000237517892 637269004 /nfs/dbraw/zinc/26/90/04/637269004.db2.gz BSUMEUHLPWSUQB-GFCCVEGCSA-N 1 0 219.288 1.207 20 10 BDCDRO CN(C)c1ccc(/C=C/CNCC2([NH3+])CC2)cc1 ZINC000904445569 637413576 /nfs/dbraw/zinc/41/35/76/637413576.db2.gz XBKPJHMOVJWSFU-ONEGZZNKSA-N 1 0 245.370 1.847 20 10 BDCDRO [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000906517327 638186935 /nfs/dbraw/zinc/18/69/35/638186935.db2.gz MSVSEAHMEDXRNJ-KYZUINATSA-N 1 0 226.707 1.625 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccc(N)cc1 ZINC000911659811 639692338 /nfs/dbraw/zinc/69/23/38/639692338.db2.gz DVOIHUKSFVLDBT-NXEZZACHSA-N 1 0 233.315 1.453 20 10 BDCDRO CC[C@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000911660888 639692363 /nfs/dbraw/zinc/69/23/63/639692363.db2.gz NWISYQBOKOCACX-CABZTGNLSA-N 1 0 235.331 1.971 20 10 BDCDRO Nc1ccc(CC(=O)NCC[NH+]2CCCC2)cc1 ZINC000035663352 639810709 /nfs/dbraw/zinc/81/07/09/639810709.db2.gz PQQJVZXDJIOUHA-UHFFFAOYSA-N 1 0 247.342 1.023 20 10 BDCDRO CN(C(=O)C1=CCC[NH2+]CC1)c1ccccc1 ZINC000911907519 639887288 /nfs/dbraw/zinc/88/72/88/639887288.db2.gz PCWIBPWGZFVVIY-UHFFFAOYSA-N 1 0 230.311 1.959 20 10 BDCDRO CC(C)C[C@H](O)C[NH2+]Cc1ccccc1O ZINC000163761035 640415951 /nfs/dbraw/zinc/41/59/51/640415951.db2.gz BWECKNDQZSWSDA-LBPRGKRZSA-N 1 0 223.316 1.889 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000083347411 640535051 /nfs/dbraw/zinc/53/50/51/640535051.db2.gz NITISNNUIRCJJV-MRVPVSSYSA-N 1 0 213.252 1.656 20 10 BDCDRO COC[C@@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000226610309 640777938 /nfs/dbraw/zinc/77/79/38/640777938.db2.gz XYNOWUGMXRZYGU-LLVKDONJSA-N 1 0 243.278 1.018 20 10 BDCDRO O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccccc1O ZINC000228423929 640874282 /nfs/dbraw/zinc/87/42/82/640874282.db2.gz JJSWCVSTFAUQFV-LLVKDONJSA-N 1 0 248.326 1.398 20 10 BDCDRO CN(C)c1ccc(CN2CC[NH2+]CC2(C)C)cc1 ZINC000088138197 641317607 /nfs/dbraw/zinc/31/76/07/641317607.db2.gz NRYPBMDPRPGBOR-UHFFFAOYSA-N 1 0 247.386 1.936 20 10 BDCDRO C[C@@H]([NH3+])CC(=O)NCc1ccc(N(C)C)cc1 ZINC000040825891 641536606 /nfs/dbraw/zinc/53/66/06/641536606.db2.gz BLWIQSJHXUQOLU-SNVBAGLBSA-N 1 0 235.331 1.106 20 10 BDCDRO CCNC(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921489189 642628603 /nfs/dbraw/zinc/62/86/03/642628603.db2.gz YVDUHAMTYRQYFG-UHFFFAOYSA-N 1 0 248.326 1.237 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)CCCC[NH3+] ZINC000070202711 642993894 /nfs/dbraw/zinc/99/38/94/642993894.db2.gz GPDWGJWNPNSQID-UHFFFAOYSA-N 1 0 236.315 1.480 20 10 BDCDRO COCCC[NH2+]Cc1ccc(C)cc1O ZINC000083345877 643436418 /nfs/dbraw/zinc/43/64/18/643436418.db2.gz NBBSVGRSBOUHNQ-UHFFFAOYSA-N 1 0 209.289 1.827 20 10 BDCDRO Cc1ccc(C[NH2+]C2CCN(C)CC2)c(O)c1 ZINC000083361139 643440371 /nfs/dbraw/zinc/44/03/71/643440371.db2.gz WEWXYARUQAVRLR-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO CN1CCCc2cc(C[NH2+]CCC(N)=O)ccc21 ZINC000050286510 643678577 /nfs/dbraw/zinc/67/85/77/643678577.db2.gz OJRQEPXCXRZZHU-UHFFFAOYSA-N 1 0 247.342 1.034 20 10 BDCDRO C[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921762902 643778357 /nfs/dbraw/zinc/77/83/57/643778357.db2.gz RJIRSEWUACXDPZ-LLVKDONJSA-N 1 0 235.327 1.872 20 10 BDCDRO CN1CC[C@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922574359 644027788 /nfs/dbraw/zinc/02/77/88/644027788.db2.gz KSEKXCLMBKUICT-AWEZNQCLSA-N 1 0 246.354 1.805 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086467021 644138240 /nfs/dbraw/zinc/13/82/40/644138240.db2.gz PRPHOYXHQQRYFY-NEPJUHHUSA-N 1 0 234.343 1.883 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC2(CO)CC2)cc1 ZINC000080247026 644242263 /nfs/dbraw/zinc/24/22/63/644242263.db2.gz UAMPZFAELHXITC-UHFFFAOYSA-N 1 0 234.343 1.615 20 10 BDCDRO CN(C)c1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000086725482 644469073 /nfs/dbraw/zinc/46/90/73/644469073.db2.gz AOPUOEKIWQHKGX-LBPRGKRZSA-N 1 0 219.332 1.204 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cnc[nH]2)c1 ZINC000088750720 644529095 /nfs/dbraw/zinc/52/90/95/644529095.db2.gz ZNLVMEQMXSTJDY-SECBINFHSA-N 1 0 247.298 1.975 20 10 BDCDRO C[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819063331 645003625 /nfs/dbraw/zinc/00/36/25/645003625.db2.gz KQNABMIRZAQJSR-QMMMGPOBSA-N 1 0 232.374 1.596 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1CNCCO1)c1ccccc1O ZINC000817984034 644995075 /nfs/dbraw/zinc/99/50/75/644995075.db2.gz VCIKIOFLHGPVRD-QWRGUYRKSA-N 1 0 236.315 1.031 20 10 BDCDRO COc1cccc(C[NH2+][C@H](CO)CCF)c1O ZINC000846097236 645404425 /nfs/dbraw/zinc/40/44/25/645404425.db2.gz OEWUJXZGYOYTGF-JTQLQIEISA-N 1 0 243.278 1.211 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H](CO)CCF ZINC000846098152 645405561 /nfs/dbraw/zinc/40/55/61/645405561.db2.gz ZTMRUMLJKLHFHR-SECBINFHSA-N 1 0 243.278 1.211 20 10 BDCDRO CCC[N@H+](CC[N+](=O)[O-])Cc1ccccc1O ZINC000929753905 646285581 /nfs/dbraw/zinc/28/55/81/646285581.db2.gz YELFPEVBKZHRIZ-UHFFFAOYSA-N 1 0 238.287 1.881 20 10 BDCDRO COC[C@@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000070589371 711895757 /nfs/dbraw/zinc/89/57/57/711895757.db2.gz CIYLNYJYXPASFP-JTQLQIEISA-N 1 0 245.706 1.143 20 10 BDCDRO CN1CC[C@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000712572081 712447673 /nfs/dbraw/zinc/44/76/73/712447673.db2.gz MUWXUXJKBPUJHL-VIFPVBQESA-N 1 0 240.734 1.839 20 10 BDCDRO CCN1C[C@@H]([NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC000391595237 711138802 /nfs/dbraw/zinc/13/88/02/711138802.db2.gz HINVPNHIUZEKSQ-QWRGUYRKSA-N 1 0 248.326 1.664 20 10 BDCDRO Cc1nnc([C@@H](C)[NH2+]Cc2ccccc2O)[nH]1 ZINC000392461320 711148426 /nfs/dbraw/zinc/14/84/26/711148426.db2.gz LHVOWMZMUHWMSE-MRVPVSSYSA-N 1 0 232.287 1.670 20 10 BDCDRO C[C@H]([NH2+]Cc1nncn1C)c1ccccc1O ZINC000038007598 711481685 /nfs/dbraw/zinc/48/16/85/711481685.db2.gz XZDXUDHVSZOJMG-VIFPVBQESA-N 1 0 232.287 1.372 20 10 BDCDRO COC[C@@](C)(CO)[NH2+]Cc1cccc(C)c1O ZINC000716954474 711589235 /nfs/dbraw/zinc/58/92/35/711589235.db2.gz MCYRPQFCVGQCAA-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC23CC(O)C3)c1 ZINC000724970921 711638946 /nfs/dbraw/zinc/63/89/46/711638946.db2.gz KPXYWYKQIPPXDU-HRDQMINSSA-N 1 0 233.311 1.704 20 10 BDCDRO COC(=O)[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700925746 712010360 /nfs/dbraw/zinc/01/03/60/712010360.db2.gz WBVAGOPCEICEFH-JTQLQIEISA-N 1 0 248.326 1.459 20 10 BDCDRO C[C@H](F)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000702639874 712057901 /nfs/dbraw/zinc/05/79/01/712057901.db2.gz ZVVYWBKHPYQABO-QMMMGPOBSA-N 1 0 241.262 1.959 20 10 BDCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000706538727 712149301 /nfs/dbraw/zinc/14/93/01/712149301.db2.gz FQHYPFJLISJBTP-XYPYZODXSA-N 1 0 207.273 1.659 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCOC[C@H]1O)CC2 ZINC000706726495 712153233 /nfs/dbraw/zinc/15/32/33/712153233.db2.gz BSQITMFZXUSZIA-NQBHXWOUSA-N 1 0 249.310 1.119 20 10 BDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccccc1O ZINC000707923360 712172883 /nfs/dbraw/zinc/17/28/83/712172883.db2.gz XUXRTKLJTVARJP-SECBINFHSA-N 1 0 222.288 1.006 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(F)ccc1O ZINC000707593338 712175179 /nfs/dbraw/zinc/17/51/79/712175179.db2.gz HROIXPWZKAUWDK-KKZNHRDASA-N 1 0 239.290 1.953 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC1=CCOCC1 ZINC000824597605 712354798 /nfs/dbraw/zinc/35/47/98/712354798.db2.gz VNPVFFDOCPFBJH-UHFFFAOYSA-N 1 0 249.310 1.837 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1 ZINC000379473032 712385601 /nfs/dbraw/zinc/38/56/01/712385601.db2.gz UKARXLNTWNJFGE-RYUDHWBXSA-N 1 0 234.343 1.883 20 10 BDCDRO COc1cccc(C[NH2+]CCc2cn[nH]c2)c1O ZINC000379578387 712389253 /nfs/dbraw/zinc/38/92/53/712389253.db2.gz DZPWRTWHDMCQCT-UHFFFAOYSA-N 1 0 247.298 1.456 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1ccccc1O ZINC000712537141 712442815 /nfs/dbraw/zinc/44/28/15/712442815.db2.gz AMQNDKUIEYUIMF-WDEREUQCSA-N 1 0 220.316 1.747 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCC[C@H](C)O ZINC000877484823 712631210 /nfs/dbraw/zinc/63/12/10/712631210.db2.gz PCCRGPNVXWSGCK-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO COc1ccc(C[NH2+]C/C=C\CO)cc1C ZINC000717532254 712660463 /nfs/dbraw/zinc/66/04/63/712660463.db2.gz MQQVYFNYTPDXIK-ARJAWSKDSA-N 1 0 221.300 1.642 20 10 BDCDRO C[C@H]([NH2+]C/C=C\CO)c1ccc(N(C)C)cc1 ZINC000717533753 712660776 /nfs/dbraw/zinc/66/07/76/712660776.db2.gz YJTDVHJFSQIZPD-RXNFCKPNSA-N 1 0 234.343 1.952 20 10 BDCDRO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801172 712758819 /nfs/dbraw/zinc/75/88/19/712758819.db2.gz MRCBIXLYLNTNBP-CYBMUJFWSA-N 1 0 249.358 1.448 20 10 BDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@H](C)[NH3+] ZINC000037807403 712761672 /nfs/dbraw/zinc/76/16/72/712761672.db2.gz SKTUTFUYNOTGAT-NSHDSACASA-N 1 0 249.358 1.448 20 10 BDCDRO Cc1cccc(C[NH2+]C2CC(CC(N)=O)C2)c1O ZINC000718477614 712766593 /nfs/dbraw/zinc/76/65/93/712766593.db2.gz PZUWBMLWLMPVNX-UHFFFAOYSA-N 1 0 248.326 1.444 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000720940266 712881072 /nfs/dbraw/zinc/88/10/72/712881072.db2.gz OUHOAIMNBQVMOZ-MJHDQNEOSA-N 1 0 235.327 1.815 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483236 978610018 /nfs/dbraw/zinc/61/00/18/978610018.db2.gz RSZOPUZVZAZZBK-MRVPVSSYSA-N 1 0 223.272 1.645 20 10 BDCDRO Cc1cc(C)c(C[N@H+](C)CCO)c(O)c1 ZINC001236256100 979476349 /nfs/dbraw/zinc/47/63/49/979476349.db2.gz KVFDDCCWKNIXPK-UHFFFAOYSA-N 1 0 209.289 1.433 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2ccc(O)cc2O)C1 ZINC000405742129 971299762 /nfs/dbraw/zinc/29/97/62/971299762.db2.gz PQRAOCSKBNKAPN-LBPRGKRZSA-N 1 0 222.288 1.021 20 10 BDCDRO COc1cccc(CN2CC[C@](C)([NH3+])C2)c1O ZINC000405872023 971314729 /nfs/dbraw/zinc/31/47/29/971314729.db2.gz IDLUJSCGTGWQLT-ZDUSSCGKSA-N 1 0 236.315 1.324 20 10 BDCDRO CCCNC(=O)C[C@@H]([NH3+])c1ccccc1O ZINC001220234919 972190287 /nfs/dbraw/zinc/19/02/87/972190287.db2.gz VLBBENAIHIYZPL-SNVBAGLBSA-N 1 0 222.288 1.308 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H](O)C2CCC2)c1O ZINC000316683494 972290934 /nfs/dbraw/zinc/29/09/34/972290934.db2.gz ZIYJOSYYTDIJDB-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744141 960543611 /nfs/dbraw/zinc/54/36/11/960543611.db2.gz NEABGEGJFTWXHG-NSHDSACASA-N 1 0 237.299 1.627 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC001140744240 960546467 /nfs/dbraw/zinc/54/64/67/960546467.db2.gz QGOZAEJKZPTRFK-CYBMUJFWSA-N 1 0 237.299 1.363 20 10 BDCDRO COc1ccc(C[N@H+]2CC[C@@H](OC)C2)c(O)c1 ZINC000300046199 960852975 /nfs/dbraw/zinc/85/29/75/960852975.db2.gz RIKPUSXMHFOPLM-GFCCVEGCSA-N 1 0 237.299 1.622 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156599 960892323 /nfs/dbraw/zinc/89/23/23/960892323.db2.gz OHCCZLJFXUAPHH-SECBINFHSA-N 1 0 207.273 1.940 20 10 BDCDRO COCC[N@H+](Cc1cc(O)ccc1O)C(C)C ZINC001141159061 960894230 /nfs/dbraw/zinc/89/42/30/960894230.db2.gz XIAQTNXHHYDLDP-UHFFFAOYSA-N 1 0 239.315 1.955 20 10 BDCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160432 960894591 /nfs/dbraw/zinc/89/45/91/960894591.db2.gz YIDPFZHELDBJGN-JOYOIKCWSA-N 1 0 237.299 1.443 20 10 BDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160431 960895558 /nfs/dbraw/zinc/89/55/58/960895558.db2.gz YIDPFZHELDBJGN-CABZTGNLSA-N 1 0 237.299 1.443 20 10 BDCDRO COc1cccc(N)c1N[C@H]1C[NH+]2CCC1CC2 ZINC001163393977 965393855 /nfs/dbraw/zinc/39/38/55/965393855.db2.gz ATZNVBBDOOYVHJ-LBPRGKRZSA-N 1 0 247.342 1.784 20 10 BDCDRO [NH3+][C@@H]1CCN(c2ccc([C@@H]3CCC(=O)N3)cc2)C1 ZINC001164287973 965830946 /nfs/dbraw/zinc/83/09/46/965830946.db2.gz LCJHYCFVMXEZKQ-YPMHNXCESA-N 1 0 245.326 1.175 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001236174199 966300557 /nfs/dbraw/zinc/30/05/57/966300557.db2.gz SXMRYQIHKMINEL-MRVPVSSYSA-N 1 0 242.706 1.284 20 10 BDCDRO [NH3+]C[C@H]1CCCN1Cc1cc(O)ccc1O ZINC001236246716 966319065 /nfs/dbraw/zinc/31/90/65/966319065.db2.gz HMOJNDSJKIJZMU-SNVBAGLBSA-N 1 0 222.288 1.021 20 10 BDCDRO C[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1CO ZINC001203549902 966671150 /nfs/dbraw/zinc/67/11/50/966671150.db2.gz BWQMQDVNVRMICU-YPMHNXCESA-N 1 0 235.327 1.985 20 10 BDCDRO OC[C@H]1C[C@@H](F)C[N@H+](Cc2ccccc2O)C1 ZINC001203550539 966678549 /nfs/dbraw/zinc/67/85/49/966678549.db2.gz YOYRMYQIVYDFJG-CMPLNLGQSA-N 1 0 239.290 1.545 20 10 BDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccccc1O ZINC001203550279 966680551 /nfs/dbraw/zinc/68/05/51/966680551.db2.gz PPZDGZRPUKWMJF-JQWIXIFHSA-N 1 0 221.300 1.737 20 10 BDCDRO CC(=O)N1CC[N@@H+](Cc2ccccc2O)C[C@@H]1C ZINC001203558258 966690973 /nfs/dbraw/zinc/69/09/73/966690973.db2.gz APLZZHSEVZYDEY-NSHDSACASA-N 1 0 248.326 1.445 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@H]2C)c1O ZINC001203585793 966695041 /nfs/dbraw/zinc/69/50/41/966695041.db2.gz VGFAYVOJJUWJJS-SECBINFHSA-N 1 0 207.273 1.995 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CC(C3COC3)C2)c1 ZINC001203665522 966727201 /nfs/dbraw/zinc/72/72/01/966727201.db2.gz NOYSXCGKTGSPRY-UHFFFAOYSA-N 1 0 249.310 1.479 20 10 BDCDRO COc1ccc(O)c(CN2CC[N@@H+]3CC[C@@H]3C2)c1 ZINC001203683705 966735376 /nfs/dbraw/zinc/73/53/76/966735376.db2.gz AXGHUWPASWRGPL-GFCCVEGCSA-N 1 0 248.326 1.291 20 10 BDCDRO CN(CCC[NH+](C)C)Cc1ccc(O)c(O)c1 ZINC001203874336 966806487 /nfs/dbraw/zinc/80/64/87/966806487.db2.gz UGIACGDVAHYGSB-UHFFFAOYSA-N 1 0 238.331 1.481 20 10 BDCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CCCOC1 ZINC001203883353 966808442 /nfs/dbraw/zinc/80/84/42/966808442.db2.gz ITAZVBBHQJMKIB-NSHDSACASA-N 1 0 237.299 1.709 20 10 BDCDRO CN(Cc1ccc(O)c(O)c1)[C@H]1CC[N@H+](C)C1 ZINC001203881089 966810183 /nfs/dbraw/zinc/81/01/83/966810183.db2.gz DFXOFYHBPZWVSZ-NSHDSACASA-N 1 0 236.315 1.234 20 10 BDCDRO C[N@@H+](Cc1ccc(O)cc1O)CC1CC1 ZINC001204272038 966951347 /nfs/dbraw/zinc/95/13/47/966951347.db2.gz IFMMDBIKTSBJNT-UHFFFAOYSA-N 1 0 207.273 1.940 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204276108 966955978 /nfs/dbraw/zinc/95/59/78/966955978.db2.gz GZEVJTWVKAFJHS-KCJUWKMLSA-N 1 0 223.272 1.053 20 10 BDCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204281401 966959870 /nfs/dbraw/zinc/95/98/70/966959870.db2.gz DSJNSAXBPVLIDI-LBPRGKRZSA-N 1 0 235.283 1.651 20 10 BDCDRO Oc1ccc(CN2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001204276967 966960990 /nfs/dbraw/zinc/96/09/90/966960990.db2.gz USUDNQZAXXXXEX-WDEREUQCSA-N 1 0 241.262 1.003 20 10 BDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277331 966961114 /nfs/dbraw/zinc/96/11/14/966961114.db2.gz ZSASARATOQUTLF-ONGXEEELSA-N 1 0 237.299 1.301 20 10 BDCDRO OCC1C[NH+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204327485 966970924 /nfs/dbraw/zinc/97/09/24/966970924.db2.gz VOBAINAJURBKKN-UHFFFAOYSA-N 1 0 246.354 1.711 20 10 BDCDRO CCc1ccc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c(O)c1 ZINC001204836900 967190817 /nfs/dbraw/zinc/19/08/17/967190817.db2.gz LEXWUYGYTNRTRC-NEPJUHHUSA-N 1 0 238.306 1.436 20 10 BDCDRO Cc1c(O)ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206065462 968035206 /nfs/dbraw/zinc/03/52/06/968035206.db2.gz WSYLHSHCBUKNEV-LDYMZIIASA-N 1 0 236.315 1.185 20 10 BDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2ccccc2O)C1 ZINC001206402221 968280424 /nfs/dbraw/zinc/28/04/24/968280424.db2.gz CJHVNACGBGYOSB-GHMZBOCLSA-N 1 0 224.279 1.263 20 10 BDCDRO Cc1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206425006 968299658 /nfs/dbraw/zinc/29/96/58/968299658.db2.gz SXUXEVKKCFWXER-RYUDHWBXSA-N 1 0 238.306 1.572 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@H]([NH3+])C[C@H](F)C1 ZINC001206445723 968310874 /nfs/dbraw/zinc/31/08/74/968310874.db2.gz QCZMEWKDNRAWGF-WDEREUQCSA-N 1 0 238.306 1.572 20 10 BDCDRO CCC[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252789115 968964945 /nfs/dbraw/zinc/96/49/45/968964945.db2.gz MSCAFUWUCUFEQF-LBPRGKRZSA-N 1 0 235.327 1.911 20 10 BDCDRO Cn1c[nH+]cc1NCc1ccc(O)c(O)c1 ZINC001169992625 969959736 /nfs/dbraw/zinc/95/97/36/969959736.db2.gz IASDMTZRKCXXMB-UHFFFAOYSA-N 1 0 219.244 1.443 20 10 BDCDRO CNc1ccccc1NC[C@@H]1COCC[NH2+]1 ZINC001170047362 970084783 /nfs/dbraw/zinc/08/47/83/970084783.db2.gz LLHNTWILIUBWNC-SNVBAGLBSA-N 1 0 221.304 1.129 20 10 BDCDRO COc1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC001276925069 973305721 /nfs/dbraw/zinc/30/57/21/973305721.db2.gz URODMYMVYCZQMN-BETUJISGSA-N 1 0 232.327 1.978 20 10 BDCDRO COc1ccc(N2CC3(C2)C[NH+](C)C3)cc1F ZINC001277009278 974103763 /nfs/dbraw/zinc/10/37/63/974103763.db2.gz HUZAOFLFACZYOM-UHFFFAOYSA-N 1 0 236.290 1.586 20 10 BDCDRO CC[C@]1(C(=O)N(C)c2ccc(N)cc2)CC[NH2+]C1 ZINC001330625537 974371116 /nfs/dbraw/zinc/37/11/16/974371116.db2.gz ONUIDWMSPZTDOW-AWEZNQCLSA-N 1 0 247.342 1.621 20 10 BDCDRO Nc1ccc(CN[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC001334775303 976643459 /nfs/dbraw/zinc/64/34/59/976643459.db2.gz VMJVMMOROOCHNP-NSHDSACASA-N 1 0 241.285 1.356 20 10 BDCDRO Cc1c[nH+]ccc1Nc1cccc(N)c1O ZINC001174538348 976824443 /nfs/dbraw/zinc/82/44/43/976824443.db2.gz GWLHUWMBAIHQCU-UHFFFAOYSA-N 1 0 215.256 1.843 20 10 BDCDRO COCC[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231634584 977653416 /nfs/dbraw/zinc/65/34/16/977653416.db2.gz OQJLOEGDQCDUIR-UHFFFAOYSA-N 1 0 241.287 1.185 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001231850920 977768281 /nfs/dbraw/zinc/76/82/81/977768281.db2.gz WNLACYLKRDECQE-CYBMUJFWSA-N 1 0 246.354 1.899 20 10 BDCDRO CC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232833669 978305560 /nfs/dbraw/zinc/30/55/60/978305560.db2.gz CDJXAKUQGXWQCY-UHFFFAOYSA-N 1 0 208.305 1.910 20 10 BDCDRO [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@@H](CO)C1 ZINC001233334877 978566737 /nfs/dbraw/zinc/56/67/37/978566737.db2.gz XNXKULPCGAXOPU-MRVPVSSYSA-N 1 0 243.253 1.485 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1 ZINC001206425169 978922428 /nfs/dbraw/zinc/92/24/28/978922428.db2.gz UYGIFYFXSJLBGH-VXGBXAGGSA-N 1 0 238.306 1.572 20 10 BDCDRO C[C@@H](C(=O)N1CCc2cccc(O)c2C1)[NH+](C)C ZINC001180863030 978955445 /nfs/dbraw/zinc/95/54/45/978955445.db2.gz CCJMDIHURJRECC-JTQLQIEISA-N 1 0 248.326 1.227 20 10 BDCDRO Oc1c(F)cccc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235078603 978971507 /nfs/dbraw/zinc/97/15/07/978971507.db2.gz OZDPPFPZUNUNME-VXGBXAGGSA-N 1 0 236.290 1.468 20 10 BDCDRO Cc1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235162678 978985650 /nfs/dbraw/zinc/98/56/50/978985650.db2.gz ZPDMTLNYNPVIOG-GXTWGEPZSA-N 1 0 232.327 1.624 20 10 BDCDRO Nc1ccc(CN2C[C@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001235245938 979003450 /nfs/dbraw/zinc/00/34/50/979003450.db2.gz RSCDCFAMMBWOFY-TZMCWYRMSA-N 1 0 231.343 1.582 20 10 BDCDRO CC(C)[C@H]([NH3+])C(=O)NCc1c(O)cccc1F ZINC001341012445 979195646 /nfs/dbraw/zinc/19/56/46/979195646.db2.gz YNYMKPZATNJUFP-NSHDSACASA-N 1 0 240.278 1.131 20 10 BDCDRO C[NH2+]CCCC(=O)NCc1c(O)cccc1F ZINC001341125874 979243727 /nfs/dbraw/zinc/24/37/27/979243727.db2.gz YCDACCNHCNPTQS-UHFFFAOYSA-N 1 0 240.278 1.147 20 10 BDCDRO Cc1cccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990650 979275321 /nfs/dbraw/zinc/27/53/21/979275321.db2.gz NFAVIPNKYNXNJD-JSGCOSHPSA-N 1 0 232.327 1.624 20 10 BDCDRO [NH3+][C@]12C[C@H]1CN(Cc1ccc(Cl)cc1O)C2 ZINC001236024463 979320555 /nfs/dbraw/zinc/32/05/55/979320555.db2.gz IWSLAYOOLHRBSU-CABZTGNLSA-N 1 0 238.718 1.579 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001236172286 979430390 /nfs/dbraw/zinc/43/03/90/979430390.db2.gz BXDFSVOPAGVIEV-QMMMGPOBSA-N 1 0 244.697 1.718 20 10 BDCDRO COc1cc(C)c(CN2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236171995 979431075 /nfs/dbraw/zinc/43/10/75/979431075.db2.gz AORQIRYNNMUMRP-JTQLQIEISA-N 1 0 236.315 1.242 20 10 BDCDRO Cc1cc(C)c(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172668 979431458 /nfs/dbraw/zinc/43/14/58/979431458.db2.gz JHWTYTVVXQNGRT-LLVKDONJSA-N 1 0 220.316 1.542 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001236175292 979437317 /nfs/dbraw/zinc/43/73/17/979437317.db2.gz ZWUDJAYNSMIRST-ZETCQYMHSA-N 1 0 244.697 1.718 20 10 BDCDRO Oc1cccc(Cl)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236284300 979487037 /nfs/dbraw/zinc/48/70/37/979487037.db2.gz HPODOOJWWVWVKU-LDYMZIIASA-N 1 0 238.718 1.449 20 10 BDCDRO Cc1cc(CN2C[C@H]3C[NH2+]C[C@H]32)ccc1N(C)C ZINC001236286101 979490547 /nfs/dbraw/zinc/49/05/47/979490547.db2.gz KTRAKLWWKNJKTL-UKRRQHHQSA-N 1 0 245.370 1.465 20 10 BDCDRO CCOc1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236292570 979500040 /nfs/dbraw/zinc/50/00/40/979500040.db2.gz NJPCPABLYJLNLT-AAEUAGOBSA-N 1 0 248.326 1.195 20 10 BDCDRO Nc1ccc(CN(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC001236528001 979622844 /nfs/dbraw/zinc/62/28/44/979622844.db2.gz IFMVYVGHWGENKZ-CQSZACIVSA-N 1 0 231.343 1.595 20 10 BDCDRO CCc1ccc(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001236784605 979730496 /nfs/dbraw/zinc/73/04/96/979730496.db2.gz XHSOZDMLFLCJFP-UHFFFAOYSA-N 1 0 233.311 1.787 20 10 BDCDRO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001236792304 979739760 /nfs/dbraw/zinc/73/97/60/979739760.db2.gz OHSBQZKZMIUUCR-KBPBESRZSA-N 1 0 246.354 1.843 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC001343472095 980119486 /nfs/dbraw/zinc/11/94/86/980119486.db2.gz DLIBMULPHNQBAN-LBPRGKRZSA-N 1 0 247.342 1.275 20 10 BDCDRO Cc1cc(F)cc(C[NH+]2CC(CO)C2)c1O ZINC001238061841 980131897 /nfs/dbraw/zinc/13/18/97/980131897.db2.gz KBMFOWGXUZVDPG-UHFFFAOYSA-N 1 0 225.263 1.264 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC001238057852 980133533 /nfs/dbraw/zinc/13/35/33/980133533.db2.gz OUJODUIPYXCQPM-LLVKDONJSA-N 1 0 225.263 1.406 20 10 BDCDRO Nc1ccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC001343567342 980151665 /nfs/dbraw/zinc/15/16/65/980151665.db2.gz PNDFMDPYWZKUMW-WCQYABFASA-N 1 0 247.342 1.403 20 10 BDCDRO C[NH2+]C1(C(=O)NCc2ccc(N)cc2)CCC1 ZINC001346208922 980786796 /nfs/dbraw/zinc/78/67/96/980786796.db2.gz CSIYCLXNRHWIKX-UHFFFAOYSA-N 1 0 233.315 1.027 20 10 BDCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874527 982553663 /nfs/dbraw/zinc/55/36/63/982553663.db2.gz ADFHCLCCQQTOBB-ZDUSSCGKSA-N 1 0 237.299 1.302 20 10 BDCDRO Nc1ccc(CN[C@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001352788101 982575758 /nfs/dbraw/zinc/57/57/58/982575758.db2.gz CAGZMZICBHPBFE-KBPBESRZSA-N 1 0 231.343 1.643 20 10 BDCDRO Nc1ccc(CN[C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC001352788103 982579291 /nfs/dbraw/zinc/57/92/91/982579291.db2.gz CAGZMZICBHPBFE-UONOGXRCSA-N 1 0 231.343 1.643 20 10 BDCDRO Nc1ccc(CN2CCO[C@@H](C(F)F)C2)cc1 ZINC001352790032 982583075 /nfs/dbraw/zinc/58/30/75/982583075.db2.gz NIEABVOOHAYTNE-LLVKDONJSA-N 1 0 242.269 1.735 20 10 BDCDRO Oc1cccc2c1C[N@H+](C[C@@H]1CCOC1)CC2 ZINC001202512933 983838578 /nfs/dbraw/zinc/83/85/78/983838578.db2.gz LOBXRAVYOXCLDB-NSHDSACASA-N 1 0 233.311 1.787 20 10 BDCDRO Cc1cccc(C[NH2+]C/C=C/CO)c1O ZINC000717525633 984211949 /nfs/dbraw/zinc/21/19/49/984211949.db2.gz PNACWTUMTDJRCE-NSCUHMNNSA-N 1 0 207.273 1.339 20 10 BDCDRO C[C@H]1[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000719395496 984653277 /nfs/dbraw/zinc/65/32/77/984653277.db2.gz KHRXGWGWYQJBFU-GWCFXTLKSA-N 1 0 247.342 1.020 20 10 BDCDRO C[N@@H+]1CCC2(CN(Cc3ccc(O)cc3O)C2)C1 ZINC001275949590 984735864 /nfs/dbraw/zinc/73/58/64/984735864.db2.gz HYULVNZHDIVBDL-UHFFFAOYSA-N 1 0 248.326 1.235 20 10 BDCDRO Cc1cccc(CN2CC3(C2)CC[N@@H+](C)C3)c1O ZINC001276079696 984811842 /nfs/dbraw/zinc/81/18/42/984811842.db2.gz DOCFFFPSIFYNLD-UHFFFAOYSA-N 1 0 246.354 1.838 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H]3[C@@H]2CCN3C)c(O)c1 ZINC001276168114 984823436 /nfs/dbraw/zinc/82/34/36/984823436.db2.gz AWRLNNWKURSKGE-KBPBESRZSA-N 1 0 246.354 1.979 20 10 BDCDRO CN(C)c1ccc(CN(C)CC(C)(C)[NH3+])cc1 ZINC000692013384 985186321 /nfs/dbraw/zinc/18/63/21/985186321.db2.gz FRCNWPNCHMWUAQ-UHFFFAOYSA-N 1 0 235.375 1.922 20 10 BDCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000688042873 985511498 /nfs/dbraw/zinc/51/14/98/985511498.db2.gz JNTYCMZLUBDGFK-FZMZJTMJSA-N 1 0 234.343 1.877 20 10 BDCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1O ZINC000688046041 985524039 /nfs/dbraw/zinc/52/40/39/985524039.db2.gz GWKYORWWPOBGNY-MWLCHTKSSA-N 1 0 207.273 1.517 20 10 BDCDRO Cc1ccc(CN[C@@H]2CCC[NH2+][C@@H]2C)c(O)c1 ZINC001579697142 986185703 /nfs/dbraw/zinc/18/57/03/986185703.db2.gz YWUGELWOHCTIQD-DGCLKSJQSA-N 1 0 234.343 1.931 20 10 BDCDRO Cc1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001579692204 986186947 /nfs/dbraw/zinc/18/69/47/986186947.db2.gz USNSLTALYKVTRR-GXTWGEPZSA-N 1 0 246.354 1.884 20 10 BDCDRO C[N@H+](CCCO)Cc1ccc(Cl)cc1O ZINC001462151441 986297570 /nfs/dbraw/zinc/29/75/70/986297570.db2.gz RNFZHXULTYUADQ-UHFFFAOYSA-N 1 0 229.707 1.860 20 10 BDCDRO COC[C@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001255558729 987008591 /nfs/dbraw/zinc/00/85/91/987008591.db2.gz UCCVGDINWVXSAI-VIFPVBQESA-N 1 0 225.288 1.265 20 10 BDCDRO Cc1cc(C)c(CN[C@@H]2CCC[NH2+]C2)c(O)c1 ZINC001246341617 987751885 /nfs/dbraw/zinc/75/18/85/987751885.db2.gz BEZQVAISZTZMDI-GFCCVEGCSA-N 1 0 234.343 1.851 20 10 BDCDRO COC(=O)CC1([NH2+]Cc2ccc(N)cc2)CCC1 ZINC001120268808 989622546 /nfs/dbraw/zinc/62/25/46/989622546.db2.gz JPPPVYMLOZEAMV-UHFFFAOYSA-N 1 0 248.326 1.844 20 10 BDCDRO C[C@@H](NC(=O)NCC1([NH3+])CC1)c1ccccc1O ZINC001120572919 989741279 /nfs/dbraw/zinc/74/12/79/989741279.db2.gz FENBBFOQZKLLQE-SECBINFHSA-N 1 0 249.314 1.244 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001122535814 990408471 /nfs/dbraw/zinc/40/84/71/990408471.db2.gz IIEQYOQRWWPYLP-STQMWFEESA-N 1 0 247.342 1.273 20 10 BDCDRO C[NH+](C)C1(C)CN(Cc2cccc(F)c2O)C1 ZINC001138128341 990886325 /nfs/dbraw/zinc/88/63/25/990886325.db2.gz DLSTUEGKRYKECP-UHFFFAOYSA-N 1 0 238.306 1.667 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@@H]1O ZINC001138123774 990886333 /nfs/dbraw/zinc/88/63/33/990886333.db2.gz LDYNZELRUFXMNO-SKDRFNHKSA-N 1 0 239.290 1.734 20 10 BDCDRO [O-]c1c(F)cccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001138123754 990887850 /nfs/dbraw/zinc/88/78/50/990887850.db2.gz KGSZPAPFCBYRNR-VXGBXAGGSA-N 1 0 237.274 1.895 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@@H]2C(N)=O)c1 ZINC000162084874 990948034 /nfs/dbraw/zinc/94/80/34/990948034.db2.gz RVHCLRGPQLPCAZ-GFCCVEGCSA-N 1 0 248.326 1.540 20 10 BDCDRO C1=CC[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC001138495204 990967714 /nfs/dbraw/zinc/96/77/14/990967714.db2.gz WHYJOHYCVUKWMC-UHFFFAOYSA-N 1 0 244.338 1.895 20 10 BDCDRO COC1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178573 991550384 /nfs/dbraw/zinc/55/03/84/991550384.db2.gz PCQJWCGTMCVVFC-UHFFFAOYSA-N 1 0 221.300 1.840 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001140463227 991643428 /nfs/dbraw/zinc/64/34/28/991643428.db2.gz WNUDPAWNKQJWCS-QPUJVOFHSA-N 1 0 241.718 1.858 20 10 BDCDRO CN(C(=O)[C@@H]1CCCC[C@H]1[NH3+])c1ccc(N)cc1 ZINC001262009181 992593389 /nfs/dbraw/zinc/59/33/89/992593389.db2.gz NFLZUODABKBUGR-CHWSQXEVSA-N 1 0 247.342 1.749 20 10 BDCDRO CCC[C@H]1C[NH2+]CCN1Cc1ccc(N)cc1 ZINC001262487302 992894120 /nfs/dbraw/zinc/89/41/20/992894120.db2.gz QAOHMUOIJAZARY-AWEZNQCLSA-N 1 0 233.359 1.843 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000384377892 993573804 /nfs/dbraw/zinc/57/38/04/993573804.db2.gz KMZMTKXJDKKYEH-JQWIXIFHSA-N 1 0 248.326 1.397 20 10 BDCDRO Nc1ccc(CN2CCO[C@H](CCF)C2)cc1 ZINC000700557517 993842091 /nfs/dbraw/zinc/84/20/91/993842091.db2.gz TUJODHAJRXAALH-CYBMUJFWSA-N 1 0 238.306 1.829 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H](O)C2)cc1C ZINC000298575201 178195561 /nfs/dbraw/zinc/19/55/61/178195561.db2.gz BIZGSSQISWBELX-CYBMUJFWSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](CO)C2)cc1C ZINC000092763683 178195663 /nfs/dbraw/zinc/19/56/63/178195663.db2.gz HJMOCFLFBFEXLT-GFCCVEGCSA-N 1 0 235.327 1.823 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](O)C2CC2)cc1C ZINC000266219716 178197753 /nfs/dbraw/zinc/19/77/53/178197753.db2.gz RAFWXPXSAIFYQC-CQSZACIVSA-N 1 0 235.327 1.870 20 10 BDCDRO CC[C@H]([NH2+]Cc1nncn1C)c1ccccc1O ZINC000038007445 343365101 /nfs/dbraw/zinc/36/51/01/343365101.db2.gz DKYJEFZHQYETTA-NSHDSACASA-N 1 0 246.314 1.762 20 10 BDCDRO C[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)N(C)C ZINC000038087508 343369757 /nfs/dbraw/zinc/36/97/57/343369757.db2.gz CRIANRBOOFQNRQ-LLVKDONJSA-N 1 0 234.343 1.661 20 10 BDCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccccc1O ZINC000037154847 343336828 /nfs/dbraw/zinc/33/68/28/343336828.db2.gz YRWXLBVHCCMDJV-LLVKDONJSA-N 1 0 231.299 1.767 20 10 BDCDRO CC(C)[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825816 187264018 /nfs/dbraw/zinc/26/40/18/187264018.db2.gz WZZBIVWNRLYLBZ-ZDUSSCGKSA-N 1 0 249.358 1.352 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)N(C)C)c1 ZINC000070955272 187275350 /nfs/dbraw/zinc/27/53/50/187275350.db2.gz LGBBPDOMHHELPT-NSHDSACASA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]CCO)c(O)c1C ZINC000134911040 178839667 /nfs/dbraw/zinc/83/96/67/178839667.db2.gz KUYMPOPFDIGABL-SNVBAGLBSA-N 1 0 209.289 1.652 20 10 BDCDRO Cc1cccc(C[NH+]2CCC(CO)CC2)c1O ZINC000271835010 179073716 /nfs/dbraw/zinc/07/37/16/179073716.db2.gz RTCVBTZZLLIAPQ-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1cccc(C[NH2+]C(C)(C)[C@H](C)O)c1O ZINC000162726303 179087927 /nfs/dbraw/zinc/08/79/27/179087927.db2.gz FVSQSFNAUIRNHY-JTQLQIEISA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1O ZINC000271767142 179084007 /nfs/dbraw/zinc/08/40/07/179084007.db2.gz FPQSFISNFALATI-GXTWGEPZSA-N 1 0 246.354 1.884 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1O ZINC000280452562 179084273 /nfs/dbraw/zinc/08/42/73/179084273.db2.gz LJJSUQYJCXZHGC-GFCCVEGCSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCN2C)c1O ZINC000224569555 179092153 /nfs/dbraw/zinc/09/21/53/179092153.db2.gz SEGHZEJGPAPJNX-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCCOC2)c1O ZINC000162860085 179098655 /nfs/dbraw/zinc/09/86/55/179098655.db2.gz NLFRHSVIMZCJIZ-GFCCVEGCSA-N 1 0 221.300 1.969 20 10 BDCDRO CC[C@@H](O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226616543 350442604 /nfs/dbraw/zinc/44/26/04/350442604.db2.gz SDLVTNZXHNJKAD-LLVKDONJSA-N 1 0 227.279 1.782 20 10 BDCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@@H](C)CO ZINC000293621725 353758349 /nfs/dbraw/zinc/75/83/49/353758349.db2.gz KVNIHMUVAAKQAL-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297326840 364788480 /nfs/dbraw/zinc/78/84/80/364788480.db2.gz NRWYJKSUEHFPML-WPRPVWTQSA-N 1 0 234.299 1.104 20 10 BDCDRO [NH3+]CCCCCC(=O)NCc1ccccc1O ZINC000083363599 181373381 /nfs/dbraw/zinc/37/33/81/181373381.db2.gz RSIBNGKWUXRXHC-UHFFFAOYSA-N 1 0 236.315 1.528 20 10 BDCDRO OC[C@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000127231461 183153445 /nfs/dbraw/zinc/15/34/45/183153445.db2.gz MKLXNWCWQYGZLM-VIFPVBQESA-N 1 0 241.718 1.860 20 10 BDCDRO O[C@@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000188849976 183202371 /nfs/dbraw/zinc/20/23/71/183202371.db2.gz TWVHGIWHVVOUHV-TZMCWYRMSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1CC[C@H](O)C1 ZINC000179935539 183275597 /nfs/dbraw/zinc/27/55/97/183275597.db2.gz XZLVKRIVURVDPU-JTQLQIEISA-N 1 0 211.236 1.098 20 10 BDCDRO Oc1ccccc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000375289621 183301424 /nfs/dbraw/zinc/30/14/24/183301424.db2.gz XEWGMMQNRVEDAC-GFCCVEGCSA-N 1 0 219.284 1.349 20 10 BDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCOC1=O ZINC000076074459 169179930 /nfs/dbraw/zinc/17/99/30/169179930.db2.gz TVXNBXNKAUNTTF-GFCCVEGCSA-N 1 0 249.310 1.920 20 10 BDCDRO CCC[NH2+][C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000294882804 169274622 /nfs/dbraw/zinc/27/46/22/169274622.db2.gz XPTICJHWPMVMCR-VIFPVBQESA-N 1 0 221.304 1.595 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCCO)c1 ZINC000087358808 383827324 /nfs/dbraw/zinc/82/73/24/383827324.db2.gz UPHVBBLCZFWPJF-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1O ZINC000036977393 383924250 /nfs/dbraw/zinc/92/42/50/383924250.db2.gz OQROCBIXQYSZNS-CMPLNLGQSA-N 1 0 248.326 1.712 20 10 BDCDRO CCOCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363106 383974106 /nfs/dbraw/zinc/97/41/06/383974106.db2.gz OVJALQJDPBQTTJ-UHFFFAOYSA-N 1 0 221.300 1.748 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)CO)c1 ZINC000078638544 384074992 /nfs/dbraw/zinc/07/49/92/384074992.db2.gz QRLDDCYCCLVGLD-JTQLQIEISA-N 1 0 209.289 1.419 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2ccnn2C)c1 ZINC000071409419 384164990 /nfs/dbraw/zinc/16/49/90/384164990.db2.gz KQSHKWBRYMXZGE-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCNC2=O)c1 ZINC000071408989 384165153 /nfs/dbraw/zinc/16/51/53/384165153.db2.gz MCBZDELLGMWFMZ-NSHDSACASA-N 1 0 234.299 1.069 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCOC2)c1 ZINC000132771214 384251166 /nfs/dbraw/zinc/25/11/66/384251166.db2.gz ZTWMJDWDIWXQLL-LBPRGKRZSA-N 1 0 221.300 1.921 20 10 BDCDRO C[C@@H](C(=O)N(C)C)[N@H+](C)Cc1ccccc1O ZINC000121144808 384401700 /nfs/dbraw/zinc/40/17/00/384401700.db2.gz IAXFCPAQNYBALF-JTQLQIEISA-N 1 0 236.315 1.301 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000035629069 384416989 /nfs/dbraw/zinc/41/69/89/384416989.db2.gz WFPWAOXCHZCBEI-NXEZZACHSA-N 1 0 209.289 1.732 20 10 BDCDRO C[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000078781349 384464640 /nfs/dbraw/zinc/46/46/40/384464640.db2.gz NXGVFVHKMDZECA-SNVBAGLBSA-N 1 0 221.300 1.482 20 10 BDCDRO Cn1cncc1C[NH2+]Cc1ccccc1O ZINC000122238963 384465066 /nfs/dbraw/zinc/46/50/66/384465066.db2.gz GRBDPJDWPPXYEQ-UHFFFAOYSA-N 1 0 217.272 1.416 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCOC1 ZINC000111235622 384581985 /nfs/dbraw/zinc/58/19/85/384581985.db2.gz FQXUJVDNVKZTOZ-NSHDSACASA-N 1 0 221.300 1.861 20 10 BDCDRO CC[C@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1O ZINC000050394199 384621092 /nfs/dbraw/zinc/62/10/92/384621092.db2.gz QGFJNIYGQRQOOX-RYUDHWBXSA-N 1 0 248.326 1.712 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000020195049 384591908 /nfs/dbraw/zinc/59/19/08/384591908.db2.gz VCRWLFYNVIOENQ-JTQLQIEISA-N 1 0 225.288 1.261 20 10 BDCDRO CC(=O)c1cc(F)cc(C[N@H+](C)CCO)c1O ZINC000050134640 384596473 /nfs/dbraw/zinc/59/64/73/384596473.db2.gz MWAOFBNDFYDAII-UHFFFAOYSA-N 1 0 241.262 1.158 20 10 BDCDRO CC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000128446000 385038079 /nfs/dbraw/zinc/03/80/79/385038079.db2.gz NIHQGOKRKFNXTA-NSHDSACASA-N 1 0 209.289 1.595 20 10 BDCDRO C[C@@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1O ZINC000179889283 385381397 /nfs/dbraw/zinc/38/13/97/385381397.db2.gz NPESWIYDZAPIFJ-SNVBAGLBSA-N 1 0 248.326 1.569 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193692272 385409581 /nfs/dbraw/zinc/40/95/81/385409581.db2.gz UIIMQPUZGSFFKD-GWCFXTLKSA-N 1 0 248.326 1.315 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000156654775 385463617 /nfs/dbraw/zinc/46/36/17/385463617.db2.gz AONQCUZCVVNYFQ-VHSXEESVSA-N 1 0 236.315 1.334 20 10 BDCDRO C[C@H](C[S@@](C)=O)[N@H+](C)Cc1ccccc1O ZINC000185225798 385724638 /nfs/dbraw/zinc/72/46/38/385724638.db2.gz ZTYJFTVAIDKKCO-QLJPJBMISA-N 1 0 241.356 1.591 20 10 BDCDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc(N)cc2)[C@H]1C ZINC000262804361 385886842 /nfs/dbraw/zinc/88/68/42/385886842.db2.gz PVBNRNAVUQPWHH-MNOVXSKESA-N 1 0 247.342 1.020 20 10 BDCDRO CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000294785017 385895571 /nfs/dbraw/zinc/89/55/71/385895571.db2.gz OATZHPNBOJRRKX-CHWSQXEVSA-N 1 0 247.342 1.841 20 10 BDCDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272522730 385909357 /nfs/dbraw/zinc/90/93/57/385909357.db2.gz LLUSNCXLJKZVMF-TZMCWYRMSA-N 1 0 248.370 1.955 20 10 BDCDRO C[C@]1(O)CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272527173 385911822 /nfs/dbraw/zinc/91/18/22/385911822.db2.gz ZACLSGSUDJFUBU-LBPRGKRZSA-N 1 0 225.263 1.488 20 10 BDCDRO C[N@H+](CCCCO)Cc1ccccc1O ZINC000264620677 386253915 /nfs/dbraw/zinc/25/39/15/386253915.db2.gz QZGWIBKFDAHXHR-UHFFFAOYSA-N 1 0 209.289 1.597 20 10 BDCDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226611394 386343423 /nfs/dbraw/zinc/34/34/23/386343423.db2.gz SEQZRDZYCLQGEL-DTWKUNHWSA-N 1 0 227.279 1.638 20 10 BDCDRO C[NH+]1CCC(C(=O)NCc2ccccc2O)CC1 ZINC000269173651 386758209 /nfs/dbraw/zinc/75/82/09/386758209.db2.gz ZWDRJBSASUDILY-UHFFFAOYSA-N 1 0 248.326 1.350 20 10 BDCDRO CO[C@@H](C[NH2+]Cc1ccccc1O)C1CC1 ZINC000292884432 387248064 /nfs/dbraw/zinc/24/80/64/387248064.db2.gz CHPLSSKSPCZIBL-ZDUSSCGKSA-N 1 0 221.300 1.907 20 10 BDCDRO COc1ccc(C[NH2+]CC2COC2)cc1C ZINC000527818344 387706812 /nfs/dbraw/zinc/70/68/12/387706812.db2.gz LTNCETCETIBVLI-UHFFFAOYSA-N 1 0 221.300 1.740 20 10 BDCDRO C[C@@H]([NH2+]CC1COC1)c1cc(F)ccc1O ZINC000528026823 387832162 /nfs/dbraw/zinc/83/21/62/387832162.db2.gz QVAMWKHCYDMSHF-MRVPVSSYSA-N 1 0 225.263 1.828 20 10 BDCDRO C[C@@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)C ZINC000297659971 388430482 /nfs/dbraw/zinc/43/04/82/388430482.db2.gz KNFDAHVBAAOXCB-JQWIXIFHSA-N 1 0 234.343 1.919 20 10 BDCDRO C[C@@H](O)CCC[NH2+]Cc1ccccc1O ZINC000227959705 388762437 /nfs/dbraw/zinc/76/24/37/388762437.db2.gz NPCVAJAHXXVEAQ-SNVBAGLBSA-N 1 0 209.289 1.643 20 10 BDCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]12 ZINC000259468672 135142815 /nfs/dbraw/zinc/14/28/15/135142815.db2.gz WNLKYSGLGFBSLT-GDNZZTSVSA-N 1 0 219.284 1.062 20 10 BDCDRO CCCC[C@@H](C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262596515 135308184 /nfs/dbraw/zinc/30/81/84/135308184.db2.gz KZLZQRILGCHSGT-ZDUSSCGKSA-N 1 0 249.358 1.445 20 10 BDCDRO CC(C)NC(=O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295877321 167061589 /nfs/dbraw/zinc/06/15/89/167061589.db2.gz HKERMEBCLLAXRG-NSHDSACASA-N 1 0 248.326 1.494 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295778208 170089393 /nfs/dbraw/zinc/08/93/93/170089393.db2.gz ARVMKWNVMYQGMP-MWLCHTKSSA-N 1 0 248.326 1.494 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363102 170095212 /nfs/dbraw/zinc/09/52/12/170095212.db2.gz HXXFCZWSUXMNHM-JTQLQIEISA-N 1 0 248.326 1.236 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000036795289 170096283 /nfs/dbraw/zinc/09/62/83/170096283.db2.gz XTLQJXHIAIUBPV-ZJUUUORDSA-N 1 0 236.315 1.567 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000272355104 171087809 /nfs/dbraw/zinc/08/78/09/171087809.db2.gz DQWGERXUKJTDKS-NOZJJQNGSA-N 1 0 239.290 1.734 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000294779683 171149332 /nfs/dbraw/zinc/14/93/32/171149332.db2.gz NORSRMMZWXAUBG-NEPJUHHUSA-N 1 0 233.315 1.595 20 10 BDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000083363571 171395500 /nfs/dbraw/zinc/39/55/00/171395500.db2.gz BOTTZFHPZVBDQA-CABZTGNLSA-N 1 0 236.315 1.382 20 10 BDCDRO CCn1cnnc1C[NH2+][C@@H](C)c1ccccc1O ZINC000228791317 172237005 /nfs/dbraw/zinc/23/70/05/172237005.db2.gz YBTYOYYAPVLCOZ-JTQLQIEISA-N 1 0 246.314 1.854 20 10 BDCDRO CNC(=O)CCC[NH2+][C@H](C)c1ccccc1O ZINC000272834238 173243412 /nfs/dbraw/zinc/24/34/12/173243412.db2.gz IPEZIIMXUHMJNN-SNVBAGLBSA-N 1 0 236.315 1.569 20 10 BDCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000133594092 173299145 /nfs/dbraw/zinc/29/91/45/173299145.db2.gz ZLBSFRZYZLEGIK-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO COCC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000082367509 174384752 /nfs/dbraw/zinc/38/47/52/174384752.db2.gz PHQORNODTINBNX-SNVBAGLBSA-N 1 0 209.289 1.907 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000179665511 175157601 /nfs/dbraw/zinc/15/76/01/175157601.db2.gz OXUWXHSZPZDCII-LLVKDONJSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCCOC2)c1 ZINC000103960265 175158579 /nfs/dbraw/zinc/15/85/79/175158579.db2.gz MKXYBDJHMZQYRY-NSHDSACASA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)OC)c1 ZINC000191204783 175158773 /nfs/dbraw/zinc/15/87/73/175158773.db2.gz GUQZTYYIHCMZGT-SECBINFHSA-N 1 0 225.288 1.525 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)O)c1 ZINC000087010659 175160150 /nfs/dbraw/zinc/16/01/50/175160150.db2.gz YEPNRIIUGFSTMT-VIFPVBQESA-N 1 0 239.315 1.822 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CCO)c1 ZINC000132435488 175160683 /nfs/dbraw/zinc/16/06/83/175160683.db2.gz KVZYOEUWXVLTME-NXEZZACHSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cn[nH]c2)c1O ZINC000038005803 175265583 /nfs/dbraw/zinc/26/55/83/175265583.db2.gz FIKKFLCZHDOLSX-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO CS[C@H](CO)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000164279012 175565624 /nfs/dbraw/zinc/56/56/24/175565624.db2.gz NPWYYJMMHGATNN-BXKDBHETSA-N 1 0 241.356 1.594 20 10 BDCDRO C[C@@H](CC[NH+](C)C)NC(=O)Cc1ccc(N)cc1 ZINC000049551416 175669895 /nfs/dbraw/zinc/66/98/95/175669895.db2.gz TTZAWGDEGZMWKG-NSHDSACASA-N 1 0 249.358 1.268 20 10 BDCDRO C[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111363 175757261 /nfs/dbraw/zinc/75/72/61/175757261.db2.gz KYKZMGFKYQAOSP-YUMQZZPRSA-N 1 0 213.252 1.563 20 10 BDCDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccccc1O ZINC000193687278 176184395 /nfs/dbraw/zinc/18/43/95/176184395.db2.gz BUNGSUKQRXSLDE-BXKDBHETSA-N 1 0 234.299 1.006 20 10 BDCDRO C[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000277915001 176341789 /nfs/dbraw/zinc/34/17/89/176341789.db2.gz PQNYJUPRZUSKRM-PWSUYJOCSA-N 1 0 221.300 1.907 20 10 BDCDRO C[C@@H]1C[N@@H+](Cc2ccccc2O)C[C@H](C)N1C ZINC000141909518 177266182 /nfs/dbraw/zinc/26/61/82/177266182.db2.gz JBUKOHRSIQKNEB-TXEJJXNPSA-N 1 0 234.343 1.917 20 10 BDCDRO C[C@H]1C[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134228134 177381806 /nfs/dbraw/zinc/38/18/06/177381806.db2.gz YRVMBJJOFHNVQQ-IUCAKERBSA-N 1 0 235.283 1.867 20 10 BDCDRO Cc1cccc(C[NH2+]CC23CC(C2)CO3)c1O ZINC000529662401 324372576 /nfs/dbraw/zinc/37/25/76/324372576.db2.gz JVIXMCJOYHPGNU-UHFFFAOYSA-N 1 0 233.311 1.969 20 10 BDCDRO COc1cccc(O)c1CNCC12CC(C1)C[NH2+]2 ZINC000853245782 588728330 /nfs/dbraw/zinc/72/83/30/588728330.db2.gz CSJOFHIXXLOSLD-UHFFFAOYSA-N 1 0 248.326 1.242 20 10 BDCDRO CN(C)c1ccc(CNCC23CC(C2)C[NH2+]3)cc1 ZINC000853247357 588728886 /nfs/dbraw/zinc/72/88/86/588728886.db2.gz MSGXTHAEVROJIZ-UHFFFAOYSA-N 1 0 245.370 1.594 20 10 BDCDRO CCC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000112377513 588796357 /nfs/dbraw/zinc/79/63/57/588796357.db2.gz VACOVZHJTMNAQL-ZDUSSCGKSA-N 1 0 235.327 1.872 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)CCO)c1O ZINC000133551425 582743102 /nfs/dbraw/zinc/74/31/02/582743102.db2.gz HJNDEJBLOWGZMT-SNVBAGLBSA-N 1 0 209.289 1.561 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000892145400 582800845 /nfs/dbraw/zinc/80/08/45/582800845.db2.gz YXBZDUWSYAMYDW-RKDXNWHRSA-N 1 0 249.314 1.153 20 10 BDCDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1O ZINC000840979159 583214635 /nfs/dbraw/zinc/21/46/35/583214635.db2.gz RXQNGRDCNFIACW-AAEUAGOBSA-N 1 0 235.327 1.985 20 10 BDCDRO COc1cc(C)cc(C[NH2+]CCCO)c1O ZINC000894145684 583318089 /nfs/dbraw/zinc/31/80/89/583318089.db2.gz GZOQYKCNKPILQF-UHFFFAOYSA-N 1 0 225.288 1.181 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)c1 ZINC000814172970 583342889 /nfs/dbraw/zinc/34/28/89/583342889.db2.gz DSNRVZHRZRPGMR-TZMCWYRMSA-N 1 0 246.354 1.837 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)O)c1O ZINC000894359465 583436886 /nfs/dbraw/zinc/43/68/86/583436886.db2.gz PNZGJBMQKBSBHZ-SECBINFHSA-N 1 0 225.288 1.180 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2COCO2)cc1C ZINC000894871978 583540244 /nfs/dbraw/zinc/54/02/44/583540244.db2.gz HOIIHCOPCXCVDQ-LBPRGKRZSA-N 1 0 237.299 1.472 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788269447 583600220 /nfs/dbraw/zinc/60/02/20/583600220.db2.gz NRVMJFHJCGSIIE-GXSJLCMTSA-N 1 0 237.299 1.356 20 10 BDCDRO CCOc1ccc(CN(C)C[C@H](C)[NH3+])c(O)c1 ZINC000863650775 583994725 /nfs/dbraw/zinc/99/47/25/583994725.db2.gz AAJINOMYKIDOOM-JTQLQIEISA-N 1 0 238.331 1.570 20 10 BDCDRO CCc1cccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000897680527 584038355 /nfs/dbraw/zinc/03/83/55/584038355.db2.gz SGAMOMRIGLTCBV-GWCFXTLKSA-N 1 0 235.327 1.767 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897681626 584038888 /nfs/dbraw/zinc/03/88/88/584038888.db2.gz XSTYFWGMVUACMM-ZYHUDNBSSA-N 1 0 221.300 1.513 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1O ZINC000897684467 584040181 /nfs/dbraw/zinc/04/01/81/584040181.db2.gz PPMTWQJDBJEWHT-SKDRFNHKSA-N 1 0 207.273 1.205 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c1O ZINC000898187311 584094460 /nfs/dbraw/zinc/09/44/60/584094460.db2.gz JIEZVDVICFGOMV-RYUDHWBXSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000841059553 584126225 /nfs/dbraw/zinc/12/62/25/584126225.db2.gz UJYDYXAGSDGXKZ-WCQYABFASA-N 1 0 234.343 1.788 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1O ZINC000858494053 588960713 /nfs/dbraw/zinc/96/07/13/588960713.db2.gz MAFRFUJZWHDJAO-GUBZILKMSA-N 1 0 234.299 1.307 20 10 BDCDRO CC[C@H]([NH3+])CNCc1ccc2c(c1)CCO2 ZINC000841070567 584223794 /nfs/dbraw/zinc/22/37/94/584223794.db2.gz QXPFVTKLYAQGEF-LBPRGKRZSA-N 1 0 220.316 1.448 20 10 BDCDRO OC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000902630400 584647132 /nfs/dbraw/zinc/64/71/32/584647132.db2.gz AUARUIYIWYVZFK-CQSZACIVSA-N 1 0 247.338 1.838 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000841076702 584753141 /nfs/dbraw/zinc/75/31/41/584753141.db2.gz MMLVXRQAVZPNQX-UWVGGRQHSA-N 1 0 239.338 1.717 20 10 BDCDRO Cn1cnc(C[NH2+][C@@H]2CCc3cccc(O)c32)c1 ZINC000903351111 584755216 /nfs/dbraw/zinc/75/52/16/584755216.db2.gz HGSJBNARLGWKSI-GFCCVEGCSA-N 1 0 243.310 1.903 20 10 BDCDRO COc1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1C ZINC000841077176 584775928 /nfs/dbraw/zinc/77/59/28/584775928.db2.gz CQAAPJOPLUMVDU-IMRBUKKESA-N 1 0 232.327 1.311 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1cc(Cl)ccc1O ZINC000903960729 584828077 /nfs/dbraw/zinc/82/80/77/584828077.db2.gz WYMYPIJTSLZZSP-LDYMZIIASA-N 1 0 240.734 1.743 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CNOC2)cc1 ZINC000904423841 584880620 /nfs/dbraw/zinc/88/06/20/584880620.db2.gz JJSFFMXYNNPPFQ-DHCBQETCSA-N 1 0 247.342 1.259 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000734164119 584959085 /nfs/dbraw/zinc/95/90/85/584959085.db2.gz KIMCAFZNXIZKCJ-NSHDSACASA-N 1 0 237.299 1.261 20 10 BDCDRO CC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945167 584991888 /nfs/dbraw/zinc/99/18/88/584991888.db2.gz WARRLEVCSNVKJT-ZYHUDNBSSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@@H]([NH2+][C@@H](CN)C1CC1)c1cc(F)ccc1O ZINC000817959294 584992519 /nfs/dbraw/zinc/99/25/19/584992519.db2.gz FJIHXJJFTGQVFB-PELKAZGASA-N 1 0 238.306 1.919 20 10 BDCDRO CC[C@H]([NH2+][C@@H](C)CN)c1ccccc1O ZINC000817970116 584993311 /nfs/dbraw/zinc/99/33/11/584993311.db2.gz LUGZHJJYHNTOLY-ONGXEEELSA-N 1 0 208.305 1.780 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cn[nH]c2)cc1F ZINC000749915537 585208297 /nfs/dbraw/zinc/20/82/97/585208297.db2.gz MKUUMPWPVKLNHE-UHFFFAOYSA-N 1 0 248.305 1.905 20 10 BDCDRO C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000750015727 585209493 /nfs/dbraw/zinc/20/94/93/585209493.db2.gz OYSVVALYYSGUKS-NSHDSACASA-N 1 0 249.358 1.319 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CCN2CCC2)cc1C ZINC000752099993 585242326 /nfs/dbraw/zinc/24/23/26/585242326.db2.gz FFUDFKZKDCRJSY-UHFFFAOYSA-N 1 0 234.343 1.804 20 10 BDCDRO COCC[N@H+](C)Cc1cc(OC)c(C)cc1O ZINC000768441246 585538358 /nfs/dbraw/zinc/53/83/58/585538358.db2.gz XQEPJLJMTJEKHX-UHFFFAOYSA-N 1 0 239.315 1.787 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)CC[C@H](C)O ZINC000769450856 585557128 /nfs/dbraw/zinc/55/71/28/585557128.db2.gz IDSNAQBHRRIXIT-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO COc1cccc(O)c1C[NH+]1CCN(C)CC1 ZINC000771926013 585604534 /nfs/dbraw/zinc/60/45/34/585604534.db2.gz FRWPPGCDDCQFSI-UHFFFAOYSA-N 1 0 236.315 1.148 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000775650110 585682531 /nfs/dbraw/zinc/68/25/31/585682531.db2.gz QMLKHIDDJJWNIM-LBPRGKRZSA-N 1 0 249.310 1.696 20 10 BDCDRO C[C@H](CCO)[NH2+]CCCSc1nccs1 ZINC000779349066 585752357 /nfs/dbraw/zinc/75/23/57/585752357.db2.gz VKUZZDNQCCDIEN-SECBINFHSA-N 1 0 246.401 1.986 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000785765155 585880043 /nfs/dbraw/zinc/88/00/43/585880043.db2.gz SLHXKDRMSNCWFD-FZMZJTMJSA-N 1 0 234.343 1.565 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788266907 585920226 /nfs/dbraw/zinc/92/02/26/585920226.db2.gz CXUXWLXMQHACHS-PWSUYJOCSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@H]2C)cc1C ZINC000788271151 585920748 /nfs/dbraw/zinc/92/07/48/585920748.db2.gz ZFINUBFKVCKIBR-YPMHNXCESA-N 1 0 235.327 1.964 20 10 BDCDRO CC[N@H+](CCOCCO)Cc1ccccc1O ZINC000800532781 586224089 /nfs/dbraw/zinc/22/40/89/586224089.db2.gz WUJPLYDBBLAGNA-UHFFFAOYSA-N 1 0 239.315 1.223 20 10 BDCDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1ccccc1O ZINC000812778125 586584203 /nfs/dbraw/zinc/58/42/03/586584203.db2.gz CCSQXMAZSCDBIR-GFCCVEGCSA-N 1 0 221.300 1.737 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)CC1(C[NH3+])CC1 ZINC000817921874 586839993 /nfs/dbraw/zinc/83/99/93/586839993.db2.gz JVSRAWNWMACCMY-UHFFFAOYSA-N 1 0 248.326 1.480 20 10 BDCDRO C[NH2+]CCC[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817940459 586845466 /nfs/dbraw/zinc/84/54/66/586845466.db2.gz MTAXKBGKAVSHKL-MRVPVSSYSA-N 1 0 244.285 1.931 20 10 BDCDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944414 586846111 /nfs/dbraw/zinc/84/61/11/586846111.db2.gz BHAQGXOCSNXNLP-YPMHNXCESA-N 1 0 233.359 1.765 20 10 BDCDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945073 586846303 /nfs/dbraw/zinc/84/63/03/586846303.db2.gz SPMLADFWIXWHQA-WPRPVWTQSA-N 1 0 224.279 1.544 20 10 BDCDRO C[NH2+]CCN[C@@H](C)c1cc(F)ccc1O ZINC000817952899 586848602 /nfs/dbraw/zinc/84/86/02/586848602.db2.gz WJXKDRLBUOOZIN-QMMMGPOBSA-N 1 0 212.268 1.401 20 10 BDCDRO C[C@H](NC1C[NH2+]C1)c1cc2c(cc1O)CCCC2 ZINC000817955643 586849710 /nfs/dbraw/zinc/84/97/10/586849710.db2.gz DMXQMLOTJAVKKN-JTQLQIEISA-N 1 0 246.354 1.893 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccc(N(C)C)cc1 ZINC000818357724 586888825 /nfs/dbraw/zinc/88/88/25/586888825.db2.gz JUMHREUCNPUGDH-LERXQTSPSA-N 1 0 234.343 1.927 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000822503669 587172219 /nfs/dbraw/zinc/17/22/19/587172219.db2.gz KNBAVLBDDUWWRR-GHMZBOCLSA-N 1 0 207.273 1.314 20 10 BDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000827812390 587403877 /nfs/dbraw/zinc/40/38/77/587403877.db2.gz LKGXNIVJHNYBAR-UMSPYCQHSA-N 1 0 249.310 1.742 20 10 BDCDRO CC1(C)CN(C(=O)C2=CC(=O)CS2)CC[NH2+]1 ZINC000829584086 587505075 /nfs/dbraw/zinc/50/50/75/587505075.db2.gz ZXOKPDLYJAPATG-UHFFFAOYSA-N 1 0 240.328 1.278 20 10 BDCDRO C[C@@H](CO)C[N@H+](C)Cc1ccccc1O ZINC000121397383 587593535 /nfs/dbraw/zinc/59/35/35/587593535.db2.gz WJBFVMRUTRUOMD-SNVBAGLBSA-N 1 0 209.289 1.452 20 10 BDCDRO Nc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000832244423 587652206 /nfs/dbraw/zinc/65/22/06/587652206.db2.gz RNIOVJOWXXSVSL-UHFFFAOYSA-N 1 0 219.288 1.207 20 10 BDCDRO CCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283916 587653142 /nfs/dbraw/zinc/65/31/42/587653142.db2.gz CZWISKCQRGXHEJ-LBPRGKRZSA-N 1 0 235.331 1.279 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(C)CCC(=O)N2)c1 ZINC000835061643 587779956 /nfs/dbraw/zinc/77/99/56/587779956.db2.gz UGXLYVUTJMHPMM-AWEZNQCLSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1O ZINC000835061145 587780040 /nfs/dbraw/zinc/78/00/40/587780040.db2.gz QGFLAKXMNHZZFQ-CQSZACIVSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H](C)CO)c(Cl)c1 ZINC000840883789 587927999 /nfs/dbraw/zinc/92/79/99/587927999.db2.gz HWVALNXRNPNGGT-MRVPVSSYSA-N 1 0 229.707 1.824 20 10 BDCDRO Cc1cc(O)c(C[N@H+](C)CCO)c(Cl)c1 ZINC000840908596 587929650 /nfs/dbraw/zinc/92/96/50/587929650.db2.gz UKOTXWSFRXIYOO-UHFFFAOYSA-N 1 0 229.707 1.778 20 10 BDCDRO COc1ccc(CN[C@H](C[NH3+])C2CC2)cc1C ZINC000841027385 587936013 /nfs/dbraw/zinc/93/60/13/587936013.db2.gz AOKURCHYOSPRMF-CYBMUJFWSA-N 1 0 234.343 1.831 20 10 BDCDRO Cc1cc(Cl)cc(CN[C@H]2CC[NH2+]C2)c1O ZINC000841044685 587939150 /nfs/dbraw/zinc/93/91/50/587939150.db2.gz GATVGFGPIIUMQX-NSHDSACASA-N 1 0 240.734 1.806 20 10 BDCDRO [NH3+][C@H](CNCc1ccc2c(c1)CCO2)C1CC1 ZINC000841049295 587940197 /nfs/dbraw/zinc/94/01/97/587940197.db2.gz JKOONPMIUQLAJC-CYBMUJFWSA-N 1 0 232.327 1.448 20 10 BDCDRO C[C@H](CN)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841059580 587940578 /nfs/dbraw/zinc/94/05/78/587940578.db2.gz GDVWGDWBEOWAGN-SSDOTTSWSA-N 1 0 214.696 1.482 20 10 BDCDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000841059397 587940614 /nfs/dbraw/zinc/94/06/14/587940614.db2.gz RMGNIIKWWRGANC-WFASDCNBSA-N 1 0 247.386 1.840 20 10 BDCDRO Cc1cccc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1O ZINC000841057606 587940764 /nfs/dbraw/zinc/94/07/64/587940764.db2.gz ASTHZKSTMQGGJD-GWCFXTLKSA-N 1 0 234.343 1.788 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1cc(F)ccc1O ZINC000841065757 587942735 /nfs/dbraw/zinc/94/27/35/587942735.db2.gz MQYZKUVCKMSDBE-SECBINFHSA-N 1 0 226.295 1.619 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000841078626 587944624 /nfs/dbraw/zinc/94/46/24/587944624.db2.gz GMWHQKDSQOZCLY-NXEZZACHSA-N 1 0 220.316 1.447 20 10 BDCDRO COc1ccc(CN[C@H](C)[C@H](C)[NH3+])cc1C ZINC000841081936 587945109 /nfs/dbraw/zinc/94/51/09/587945109.db2.gz VQUJJCGESNGCGK-WDEREUQCSA-N 1 0 222.332 1.829 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2CCCC[NH2+]C2)c1 ZINC000841091404 587946286 /nfs/dbraw/zinc/94/62/86/587946286.db2.gz XCHSDJQCGVSVBZ-ZDUSSCGKSA-N 1 0 234.343 1.932 20 10 BDCDRO CN(C)c1ccc(/C=C\CN(C)CC[NH3+])cc1 ZINC000841101263 587946479 /nfs/dbraw/zinc/94/64/79/587946479.db2.gz UUMJYAJSFQTPJI-PLNGDYQASA-N 1 0 233.359 1.656 20 10 BDCDRO [NH3+]CC[C@H](NCc1ccccc1O)C(F)(F)F ZINC000841091295 587946513 /nfs/dbraw/zinc/94/65/13/587946513.db2.gz XHQDPJKJBBTBLW-JTQLQIEISA-N 1 0 248.248 1.762 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000841890449 587982148 /nfs/dbraw/zinc/98/21/48/587982148.db2.gz AYNJNZTZSPVBPI-GSJFWJNXSA-N 1 0 237.299 1.404 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CC[C@@H]([NH3+])C1 ZINC000843045533 588075637 /nfs/dbraw/zinc/07/56/37/588075637.db2.gz UQGAISSCKZLGHR-CYBMUJFWSA-N 1 0 233.359 1.594 20 10 BDCDRO CCOc1ccc(O)c(CN2CC[C@@H]([NH3+])C2)c1 ZINC000843045495 588075723 /nfs/dbraw/zinc/07/57/23/588075723.db2.gz SLXCPEWBBIGBBS-LLVKDONJSA-N 1 0 236.315 1.324 20 10 BDCDRO Cc1cccc(CN2CCC[C@H]([NH3+])C2)c1O ZINC000843043721 588076014 /nfs/dbraw/zinc/07/60/14/588076014.db2.gz FBFXYOVHQGEWQD-LBPRGKRZSA-N 1 0 220.316 1.624 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2c(O)cccc2OC)C1 ZINC000843045233 588076194 /nfs/dbraw/zinc/07/61/94/588076194.db2.gz QHEBEENYHXYDPA-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO Nc1ncc(C[NH2+]CCc2ccc(N)cc2)s1 ZINC000843125728 588084110 /nfs/dbraw/zinc/08/41/10/588084110.db2.gz GIRQSNZQZBYOHG-UHFFFAOYSA-N 1 0 248.355 1.640 20 10 BDCDRO CC(C)([NH3+])CCC(=O)Nc1ccc(N)cc1 ZINC000843292350 588097723 /nfs/dbraw/zinc/09/77/23/588097723.db2.gz HTLMEARPMVHLLW-UHFFFAOYSA-N 1 0 221.304 1.725 20 10 BDCDRO CCCN(Cc1ccccc1O)C[C@@H](C)[NH3+] ZINC000843358437 588103659 /nfs/dbraw/zinc/10/36/59/588103659.db2.gz QHVPDIINLWLDOE-LLVKDONJSA-N 1 0 222.332 1.951 20 10 BDCDRO O=[S@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1O ZINC000846103682 588256626 /nfs/dbraw/zinc/25/66/26/588256626.db2.gz UZFILLPVXABESS-MMPTUQATSA-N 1 0 237.324 1.097 20 10 BDCDRO O=[S@@]1C[C@@H]2C[C@H]1C[N@H+]2Cc1ccccc1O ZINC000846103681 588256646 /nfs/dbraw/zinc/25/66/46/588256646.db2.gz UZFILLPVXABESS-XMZIXOGTSA-N 1 0 237.324 1.097 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)CCO)c1 ZINC000846111439 588257383 /nfs/dbraw/zinc/25/73/83/588257383.db2.gz OZYXHNRNKZCPFQ-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846135210 588258543 /nfs/dbraw/zinc/25/85/43/588258543.db2.gz CBSCDJISGIIBOI-ZJUUUORDSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000846175353 588259220 /nfs/dbraw/zinc/25/92/20/588259220.db2.gz YQOWLHAQYUURLD-JMJZKYOTSA-N 1 0 237.299 1.575 20 10 BDCDRO C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000846701862 588283715 /nfs/dbraw/zinc/28/37/15/588283715.db2.gz DUANCMORAXKYFR-ONGXEEELSA-N 1 0 238.306 1.843 20 10 BDCDRO [NH3+]C[C@H](NCc1ccccc1O)C(F)(F)F ZINC000848716375 588408091 /nfs/dbraw/zinc/40/80/91/588408091.db2.gz XJVBGLZNTFNKAE-VIFPVBQESA-N 1 0 234.221 1.371 20 10 BDCDRO CCc1cccc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000848886136 588416614 /nfs/dbraw/zinc/41/66/14/588416614.db2.gz TWAVOVCSVUHBQF-NSHDSACASA-N 1 0 235.327 1.769 20 10 BDCDRO [NH2+]=C(NCc1ccccc1O)NCC1CCC1 ZINC000848985033 588425423 /nfs/dbraw/zinc/42/54/23/588425423.db2.gz YALPBRWFLHGKOF-UHFFFAOYSA-N 1 0 233.315 1.806 20 10 BDCDRO COc1cccc(CNC2=[NH+]CCCN2C)c1O ZINC000849002617 588431249 /nfs/dbraw/zinc/43/12/49/588431249.db2.gz MPBQSQCWLILEHH-UHFFFAOYSA-N 1 0 249.314 1.182 20 10 BDCDRO CN1CC[NH+]=C1NCc1cc(Cl)ccc1O ZINC000849050331 588451695 /nfs/dbraw/zinc/45/16/95/588451695.db2.gz ZRBDSAKMOPQINT-UHFFFAOYSA-N 1 0 239.706 1.437 20 10 BDCDRO CC[C@H](COC)[NH2+]Cc1c(O)cccc1OC ZINC000850151005 588521960 /nfs/dbraw/zinc/52/19/60/588521960.db2.gz QECKFCAABPUUKO-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO CCOc1ccc(C[NH2+]C/C=C/CO)c(O)c1 ZINC000850358000 588539108 /nfs/dbraw/zinc/53/91/08/588539108.db2.gz YHAZDLPRGACILT-ONEGZZNKSA-N 1 0 237.299 1.429 20 10 BDCDRO CC[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccccc1O ZINC000850579044 588561847 /nfs/dbraw/zinc/56/18/47/588561847.db2.gz RFOIFYXRJDVRLC-NHCYSSNCSA-N 1 0 221.300 1.956 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862444135 589213760 /nfs/dbraw/zinc/21/37/60/589213760.db2.gz YIYXIXXHYZJRPP-DTORHVGOSA-N 1 0 207.248 1.983 20 10 BDCDRO CCc1cccc(C[NH2+]CC2COC2)c1O ZINC000862532118 589218101 /nfs/dbraw/zinc/21/81/01/589218101.db2.gz QIJKANWBSFCYMF-UHFFFAOYSA-N 1 0 221.300 1.691 20 10 BDCDRO Cc1ccc(O)c(CNC(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC000862756308 589237636 /nfs/dbraw/zinc/23/76/36/589237636.db2.gz VOIMTTYOYIFHHE-NSHDSACASA-N 1 0 248.326 1.269 20 10 BDCDRO Cc1ccc(O)c(CNC(=O)C2([NH+](C)C)CC2)c1 ZINC000862755468 589237665 /nfs/dbraw/zinc/23/76/65/589237665.db2.gz SXNDOFDSEXODFO-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2cccc(F)c2O)C[NH2+]1 ZINC000863485159 589293371 /nfs/dbraw/zinc/29/33/71/589293371.db2.gz VOQLEKYPDSZJMO-KOLCDFICSA-N 1 0 238.306 1.761 20 10 BDCDRO CN(C[C@@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863556567 589298820 /nfs/dbraw/zinc/29/88/20/589298820.db2.gz UJEIYBCKGXROGI-SNVBAGLBSA-N 1 0 205.305 1.315 20 10 BDCDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccccc1O ZINC000864454067 589366195 /nfs/dbraw/zinc/36/61/95/589366195.db2.gz STLFRFMULZNUIT-PSASIEDQSA-N 1 0 219.288 1.415 20 10 BDCDRO COc1cccc(CNC(=[NH2+])N[C@H]2C[C@@H]2C)c1O ZINC000864455968 589366944 /nfs/dbraw/zinc/36/69/44/589366944.db2.gz AZHVGNLNKASTQI-WPRPVWTQSA-N 1 0 249.314 1.423 20 10 BDCDRO Nc1ccc(-n2cc(C[C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000864619411 589383821 /nfs/dbraw/zinc/38/38/21/589383821.db2.gz DWYKCKGLHWFMKV-JTQLQIEISA-N 1 0 243.314 1.002 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000870987736 589706810 /nfs/dbraw/zinc/70/68/10/589706810.db2.gz CAATWVJZYIMGHD-MWLCHTKSSA-N 1 0 234.299 1.321 20 10 BDCDRO C[C@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1O ZINC000870987715 589706914 /nfs/dbraw/zinc/70/69/14/589706914.db2.gz BBDQFDQURIUISO-IUCAKERBSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000870987737 589706922 /nfs/dbraw/zinc/70/69/22/589706922.db2.gz CAATWVJZYIMGHD-ONGXEEELSA-N 1 0 234.299 1.321 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1O ZINC000870988031 589707239 /nfs/dbraw/zinc/70/72/39/589707239.db2.gz DNYXHLDNZJFTSV-SKDRFNHKSA-N 1 0 248.326 1.567 20 10 BDCDRO CC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000870988216 589707243 /nfs/dbraw/zinc/70/72/43/589707243.db2.gz JCGOGVCBXZYIJT-WCBMZHEXSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@H](NC(=O)C(C)(C)[NH3+])c1ccccc1O ZINC000870988639 589707313 /nfs/dbraw/zinc/70/73/13/589707313.db2.gz VVJICLKYCUPWDT-QMMMGPOBSA-N 1 0 222.288 1.307 20 10 BDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000872825389 589972456 /nfs/dbraw/zinc/97/24/56/589972456.db2.gz JWXKQLGKONXKDU-UHFFFAOYSA-N 1 0 248.326 1.331 20 10 BDCDRO CC(C)(CO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000124302149 589974040 /nfs/dbraw/zinc/97/40/40/589974040.db2.gz ZHZHSZDOURGPLH-UHFFFAOYSA-N 1 0 235.327 1.730 20 10 BDCDRO CN(Cc1ccccc1O)CC12CC(C1)C[NH2+]2 ZINC000873204014 589994484 /nfs/dbraw/zinc/99/44/84/589994484.db2.gz WMWBUIPYQXAVQJ-UHFFFAOYSA-N 1 0 232.327 1.576 20 10 BDCDRO CCNC(=O)C[N@H+](C)Cc1cccc(C)c1O ZINC000124559509 590050791 /nfs/dbraw/zinc/05/07/91/590050791.db2.gz ZZWJMOBNWRWBDS-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO COc1ccc(N(C)CC[NH3+])cc1OC ZINC000020239324 590090419 /nfs/dbraw/zinc/09/04/19/590090419.db2.gz GXCSEAUYAFVZSI-UHFFFAOYSA-N 1 0 210.277 1.099 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC000876659835 590227172 /nfs/dbraw/zinc/22/71/72/590227172.db2.gz HISFNTPZNJYKRH-NSHDSACASA-N 1 0 221.300 1.515 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCOC1 ZINC000876690655 590231002 /nfs/dbraw/zinc/23/10/02/590231002.db2.gz OYQBIPIMSWKCPM-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000876766039 590239505 /nfs/dbraw/zinc/23/95/05/590239505.db2.gz ZTLOXDSJASBJHS-DGMVEKRQSA-N 1 0 245.326 1.600 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(O)C1 ZINC000876791704 590241901 /nfs/dbraw/zinc/24/19/01/590241901.db2.gz PAHHCSASPJDCGK-CYBMUJFWSA-N 1 0 221.300 1.657 20 10 BDCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1ccccc1O ZINC000876878194 590252496 /nfs/dbraw/zinc/25/24/96/590252496.db2.gz TXASUZWKYPCFAK-PWSUYJOCSA-N 1 0 248.326 1.382 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C1CCN(C)CC1 ZINC000876897357 590254874 /nfs/dbraw/zinc/25/48/74/590254874.db2.gz BMLLWDPTGNXPEG-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000876915368 590256318 /nfs/dbraw/zinc/25/63/18/590256318.db2.gz QIZBPBHQUBRDSE-ZDUSSCGKSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)Cn2cncn2)c(O)c1 ZINC000876977025 590264087 /nfs/dbraw/zinc/26/40/87/590264087.db2.gz QZBGCORMUDPOCV-NSHDSACASA-N 1 0 246.314 1.470 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000877020711 590269723 /nfs/dbraw/zinc/26/97/23/590269723.db2.gz CXUIRYPDAWGMMU-QWHCGFSZSA-N 1 0 247.342 1.068 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)C(C)C ZINC000877037435 590272935 /nfs/dbraw/zinc/27/29/35/590272935.db2.gz QUGMCFQKSJATEJ-CYBMUJFWSA-N 1 0 223.316 1.807 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCC[S@@](C)=O ZINC000877052459 590275162 /nfs/dbraw/zinc/27/51/62/590275162.db2.gz XGFJEHVABHLVGG-MRXNPFEDSA-N 1 0 241.356 1.559 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CCO ZINC000877052245 590275379 /nfs/dbraw/zinc/27/53/79/590275379.db2.gz UDADQXSWWMXIOQ-SNVBAGLBSA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)[C@@H](C)CO ZINC000877058268 590275725 /nfs/dbraw/zinc/27/57/25/590275725.db2.gz WYBZCVAKMUFUIS-WDEREUQCSA-N 1 0 223.316 1.807 20 10 BDCDRO CC[C@@H](C(=O)N(C)c1ccc(N)cc1)[NH+](C)C ZINC000877074791 590278232 /nfs/dbraw/zinc/27/82/32/590278232.db2.gz SGZGGMVSSCYVGI-LBPRGKRZSA-N 1 0 235.331 1.572 20 10 BDCDRO CN(C(=O)[C@H]([NH3+])C1CCC1)c1ccc(N)cc1 ZINC000877076977 590278757 /nfs/dbraw/zinc/27/87/57/590278757.db2.gz ZJDVKZCFAGQLMN-GFCCVEGCSA-N 1 0 233.315 1.359 20 10 BDCDRO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(N)cc1 ZINC000877076610 590278799 /nfs/dbraw/zinc/27/87/99/590278799.db2.gz OHMSKTCZYITFOM-VXGBXAGGSA-N 1 0 247.342 1.605 20 10 BDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077505 590278908 /nfs/dbraw/zinc/27/89/08/590278908.db2.gz KXFKDULTSBYITR-SKDRFNHKSA-N 1 0 233.315 1.230 20 10 BDCDRO CC(C)[C@H](C(=O)N(C)c1ccc(N)cc1)[C@@H](C)[NH3+] ZINC000877076070 590278917 /nfs/dbraw/zinc/27/89/17/590278917.db2.gz LUVAQDZZBUPXEE-MFKMUULPSA-N 1 0 249.358 1.851 20 10 BDCDRO CN(C(=O)[C@@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC000877075543 590279004 /nfs/dbraw/zinc/27/90/04/590279004.db2.gz FXVNPJMHGIZUSG-SNVBAGLBSA-N 1 0 233.315 1.231 20 10 BDCDRO CN(C(=O)[C@@]1(C)CCC[NH2+]C1)c1ccc(N)cc1 ZINC000877077753 590279052 /nfs/dbraw/zinc/27/90/52/590279052.db2.gz SUJSTOZSXNYRKD-AWEZNQCLSA-N 1 0 247.342 1.621 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCC1 ZINC000877112065 590287294 /nfs/dbraw/zinc/28/72/94/590287294.db2.gz ODYXCEUNVZRASP-UHFFFAOYSA-N 1 0 220.316 1.496 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000877138409 590290987 /nfs/dbraw/zinc/29/09/87/590290987.db2.gz YPLQFHPILULZCK-SNVBAGLBSA-N 1 0 209.289 1.561 20 10 BDCDRO CCOCC[NH2+]Cc1c(C)cccc1O ZINC000877146264 590292353 /nfs/dbraw/zinc/29/23/53/590292353.db2.gz QQKFJRDGYSTFQU-UHFFFAOYSA-N 1 0 209.289 1.827 20 10 BDCDRO C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1O ZINC000877256476 590304423 /nfs/dbraw/zinc/30/44/23/590304423.db2.gz XAKQJTIXDZJIMU-LPEHRKFASA-N 1 0 234.299 1.307 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000877460873 590331143 /nfs/dbraw/zinc/33/11/43/590331143.db2.gz YPLQFHPILULZCK-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](CO)CC(F)F)c(O)c1 ZINC000877479305 590336849 /nfs/dbraw/zinc/33/68/49/590336849.db2.gz UYPUWOUVDCGYRT-JTQLQIEISA-N 1 0 245.269 1.806 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c(O)c1 ZINC000877499634 590341901 /nfs/dbraw/zinc/34/19/01/590341901.db2.gz RNAYJPSLONIVJV-GWCFXTLKSA-N 1 0 248.326 1.315 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](C)CO ZINC000877526809 590347893 /nfs/dbraw/zinc/34/78/93/590347893.db2.gz LVNQDWKNJBSOKW-JTQLQIEISA-N 1 0 209.289 1.513 20 10 BDCDRO COC1(C)C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877533741 590349664 /nfs/dbraw/zinc/34/96/64/590349664.db2.gz RCAKDSSUTCXBHU-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO CCN1C[C@@H]([NH2+]Cc2ccc(C)cc2O)CC1=O ZINC000877566892 590362025 /nfs/dbraw/zinc/36/20/25/590362025.db2.gz BNJRGGNUFSYVLL-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO COC(=O)C1(C)C[NH+](Cc2c(C)cccc2O)C1 ZINC000877599655 590371057 /nfs/dbraw/zinc/37/10/57/590371057.db2.gz CPEFLVIILHYYSZ-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1ccc(C[NH2+]CCN2CCCC2=O)c(O)c1 ZINC000877613562 590373730 /nfs/dbraw/zinc/37/37/30/590373730.db2.gz LWCKZQQXWQNAEB-UHFFFAOYSA-N 1 0 248.326 1.413 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)C2(CO)CC2)c(O)c1 ZINC000877624193 590377067 /nfs/dbraw/zinc/37/70/67/590377067.db2.gz AGASRLYNDGJSJM-NSHDSACASA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(C[N@@H+](C)C2(CO)CC2)c(O)c1 ZINC000877642486 590382236 /nfs/dbraw/zinc/38/22/36/590382236.db2.gz XBSKJUMIATWJIE-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCCN(C=O)CC2)c(O)c1 ZINC000877641727 590382844 /nfs/dbraw/zinc/38/28/44/590382844.db2.gz GXKXZHIHRZQUDE-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO CC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000878455045 590571011 /nfs/dbraw/zinc/57/10/11/590571011.db2.gz NTIDAPQUPRREGM-LLVKDONJSA-N 1 0 220.316 1.992 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000128319700 590978847 /nfs/dbraw/zinc/97/88/47/590978847.db2.gz JMLWGGLIQUVZGU-QMMMGPOBSA-N 1 0 226.707 1.579 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCSC2)c1 ZINC000129580961 591329188 /nfs/dbraw/zinc/32/91/88/591329188.db2.gz PCTFCNKQJXZWKW-SNVBAGLBSA-N 1 0 239.340 1.996 20 10 BDCDRO Cc1cc(O)c(C[N@@H+](C)C[C@@H](C)O)cc1C ZINC000130759022 591515765 /nfs/dbraw/zinc/51/57/65/591515765.db2.gz XJLJNKCEEOKFAX-LLVKDONJSA-N 1 0 223.316 1.822 20 10 BDCDRO COC(C[N@H+](C)Cc1ccccc1O)OC ZINC000131027140 591543260 /nfs/dbraw/zinc/54/32/60/591543260.db2.gz BJQXITWPVOLMIL-UHFFFAOYSA-N 1 0 225.288 1.443 20 10 BDCDRO Nc1ccc(CCNC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884028908 591812526 /nfs/dbraw/zinc/81/25/26/591812526.db2.gz VZHIMHPVLSEQRF-CYBMUJFWSA-N 1 0 247.342 1.055 20 10 BDCDRO CC(C)(CO)C[NH2+]Cc1ccccc1O ZINC000133525581 591819107 /nfs/dbraw/zinc/81/91/07/591819107.db2.gz WRKGHKSFULQVOR-UHFFFAOYSA-N 1 0 209.289 1.500 20 10 BDCDRO COc1ccc(C[NH2+][C@H](C)CC(N)=O)cc1C ZINC000135729700 592042032 /nfs/dbraw/zinc/04/20/32/592042032.db2.gz YVYUFTCSVKNZGX-SNVBAGLBSA-N 1 0 236.315 1.357 20 10 BDCDRO CN(C)c1ccc(CNC(=[NH2+])NCC2CC2)cc1 ZINC000887347538 592484967 /nfs/dbraw/zinc/48/49/67/592484967.db2.gz ZEAZWSNOKMFIKV-UHFFFAOYSA-N 1 0 246.358 1.777 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])CC1CC1 ZINC000302666579 592551091 /nfs/dbraw/zinc/55/10/91/592551091.db2.gz KGMXIFFUDAPJFB-LBPRGKRZSA-N 1 0 248.326 1.478 20 10 BDCDRO Oc1ccccc1CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000299922079 634400437 /nfs/dbraw/zinc/40/04/37/634400437.db2.gz RJRHIQPTQNDXME-WCQYABFASA-N 1 0 232.327 1.576 20 10 BDCDRO COC(OC)[C@@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000234595457 635556273 /nfs/dbraw/zinc/55/62/73/635556273.db2.gz BUCVCTXRQDUVAL-MRVPVSSYSA-N 1 0 243.278 1.628 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2cccc(F)c2O)C1 ZINC000309559479 632495322 /nfs/dbraw/zinc/49/53/22/632495322.db2.gz NYCQOIBPNHCUNS-SECBINFHSA-N 1 0 210.252 1.064 20 10 BDCDRO CC(C)(CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000310465465 632743667 /nfs/dbraw/zinc/74/36/67/632743667.db2.gz GNYNVGHMDSQHIE-LLVKDONJSA-N 1 0 235.327 1.988 20 10 BDCDRO CC1(C)[NH2+]CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000841858081 635875089 /nfs/dbraw/zinc/87/50/89/635875089.db2.gz YKXLSNMNQRSVEK-GFCCVEGCSA-N 1 0 247.342 1.068 20 10 BDCDRO Cc1cccc(C[NH2+]CCC[S@@](C)=O)c1O ZINC000162663358 633036050 /nfs/dbraw/zinc/03/60/50/633036050.db2.gz PMNJWRTZAFMWDM-INIZCTEOSA-N 1 0 241.356 1.559 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CC(N)=O)c(O)c1 ZINC000168830055 633149169 /nfs/dbraw/zinc/14/91/69/633149169.db2.gz UWARYVFRIYZWSG-UWVGGRQHSA-N 1 0 236.315 1.615 20 10 BDCDRO C[NH2+][C@@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000053201412 634072763 /nfs/dbraw/zinc/07/27/63/634072763.db2.gz UCNVMAMRPWKUEV-CQSZACIVSA-N 1 0 247.386 1.936 20 10 BDCDRO Nc1ccc(CCN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000925695809 634352640 /nfs/dbraw/zinc/35/26/40/634352640.db2.gz XXOIAWJFCDCKCM-AWEZNQCLSA-N 1 0 245.370 1.686 20 10 BDCDRO CC(C)([NH3+])CNCc1ccc2c(c1)CCCO2 ZINC000258687765 635187686 /nfs/dbraw/zinc/18/76/86/635187686.db2.gz BHBBWPGCYUZYAL-UHFFFAOYSA-N 1 0 234.343 1.839 20 10 BDCDRO CC[NH2+]CCNCc1ccc(OC)c(C)c1 ZINC000258920798 635224789 /nfs/dbraw/zinc/22/47/89/635224789.db2.gz OLXKZQYGNUCTSV-UHFFFAOYSA-N 1 0 222.332 1.703 20 10 BDCDRO COc1ccc(CNCC2([NH3+])CC2)cc1C ZINC000259135513 635245007 /nfs/dbraw/zinc/24/50/07/635245007.db2.gz RBBYNZRPRDLBDY-UHFFFAOYSA-N 1 0 220.316 1.585 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CNOC1)c1cc(F)ccc1O ZINC000925870452 635583866 /nfs/dbraw/zinc/58/38/66/635583866.db2.gz WTEYOXGPHMYZLW-APPZFPTMSA-N 1 0 226.251 1.085 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCN1C ZINC000896593949 636205320 /nfs/dbraw/zinc/20/53/20/636205320.db2.gz DAJBGHDDIBVEJJ-LLVKDONJSA-N 1 0 220.316 1.494 20 10 BDCDRO CCNC(=O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052684 636519869 /nfs/dbraw/zinc/51/98/69/636519869.db2.gz LEHJCIAINCMDRD-UHFFFAOYSA-N 1 0 236.315 1.229 20 10 BDCDRO CC[C@@H]([NH2+]CCCON)c1ccccc1O ZINC000902425887 637305037 /nfs/dbraw/zinc/30/50/37/637305037.db2.gz OSBMAPAVTITKDN-LLVKDONJSA-N 1 0 224.304 1.713 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]CCCON)c1 ZINC000904458435 637421298 /nfs/dbraw/zinc/42/12/98/637421298.db2.gz YUJNGZZFRNLOEH-UHFFFAOYSA-N 1 0 240.303 1.161 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC000043324903 638253763 /nfs/dbraw/zinc/25/37/63/638253763.db2.gz BXCPTGRAJZHBGQ-CYBMUJFWSA-N 1 0 233.359 1.594 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000150073520 639300085 /nfs/dbraw/zinc/30/00/85/639300085.db2.gz RYBIBJHPPRHKAY-LLVKDONJSA-N 1 0 240.734 1.839 20 10 BDCDRO C[C@@H]1C[C@H](C(=O)Nc2ccc(N)cc2)CC[NH2+]1 ZINC000911661266 639692414 /nfs/dbraw/zinc/69/24/14/639692414.db2.gz SQPAUACIMJJYQN-NXEZZACHSA-N 1 0 233.315 1.595 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cn(C)cn2)cc1 ZINC000311125454 639989026 /nfs/dbraw/zinc/98/90/26/639989026.db2.gz POGSYXYNACOYDB-UHFFFAOYSA-N 1 0 244.342 1.776 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCOC2)c1 ZINC000087784958 641039018 /nfs/dbraw/zinc/03/90/18/641039018.db2.gz WNAUBPSVOHZYLE-NSHDSACASA-N 1 0 207.273 1.579 20 10 BDCDRO CC[C@@H](C(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000062460928 641050961 /nfs/dbraw/zinc/05/09/61/641050961.db2.gz AOKIZTRXJWOUFJ-NSHDSACASA-N 1 0 221.304 1.548 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1O ZINC000190044038 641061058 /nfs/dbraw/zinc/06/10/58/641061058.db2.gz QDTPTECCMUAFOU-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO C[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1[O-] ZINC000062747662 641091289 /nfs/dbraw/zinc/09/12/89/641091289.db2.gz MPEBKBGQVSRMDZ-QMMMGPOBSA-N 1 0 212.268 1.531 20 10 BDCDRO CC[C@H](C(N)=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000062801600 641091882 /nfs/dbraw/zinc/09/18/82/641091882.db2.gz VBANGFUKLLZXJX-GFCCVEGCSA-N 1 0 247.342 1.162 20 10 BDCDRO COc1ccc(O)c(CN2CC[NH2+][C@H](C)C2)c1 ZINC000088058610 641306756 /nfs/dbraw/zinc/30/67/56/641306756.db2.gz BGMDXLOXSRZUPK-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921474266 642633504 /nfs/dbraw/zinc/63/35/04/642633504.db2.gz RYXUFDODUCXBEL-ZDUSSCGKSA-N 1 0 235.327 1.872 20 10 BDCDRO C[NH2+]CCN(C)Cc1cccc(OC)c1O ZINC000069801025 642914729 /nfs/dbraw/zinc/91/47/29/642914729.db2.gz MYWVMNHDMCVMAK-UHFFFAOYSA-N 1 0 224.304 1.052 20 10 BDCDRO Cc1ccc(O)c(CN2CCC[C@H]([NH3+])C2)c1 ZINC000070955772 643087248 /nfs/dbraw/zinc/08/72/48/643087248.db2.gz UVPIYEPCWUUVER-LBPRGKRZSA-N 1 0 220.316 1.624 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(N)=[NH2+] ZINC000304217306 643089175 /nfs/dbraw/zinc/08/91/75/643089175.db2.gz HEFNTTYNDWEHIU-UHFFFAOYSA-N 1 0 206.293 1.044 20 10 BDCDRO C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000082538503 643339399 /nfs/dbraw/zinc/33/93/99/643339399.db2.gz VLVKVLIACPGYNN-JTQLQIEISA-N 1 0 221.300 1.482 20 10 BDCDRO Nc1ccc(CC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000843513104 643367893 /nfs/dbraw/zinc/36/78/93/643367893.db2.gz SZFSDGZVUMDIEN-UHFFFAOYSA-N 1 0 247.342 1.070 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000083345899 643436401 /nfs/dbraw/zinc/43/64/01/643436401.db2.gz JFVPBQSRTLPTTJ-SNVBAGLBSA-N 1 0 209.289 1.825 20 10 BDCDRO C[NH2+]CCN(C)Cc1cc(Cl)ccc1O ZINC000069800739 643451581 /nfs/dbraw/zinc/45/15/81/643451581.db2.gz UWERSNQYSMYGTH-UHFFFAOYSA-N 1 0 228.723 1.697 20 10 BDCDRO C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286479 643678690 /nfs/dbraw/zinc/67/86/90/643678690.db2.gz BEHMIXQSJCJYLQ-NSHDSACASA-N 1 0 234.343 1.539 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1O ZINC000050394508 643695965 /nfs/dbraw/zinc/69/59/65/643695965.db2.gz DCFJVIQDGRVSHP-MWLCHTKSSA-N 1 0 234.299 1.321 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCN2C)cc1C ZINC000922575139 644029599 /nfs/dbraw/zinc/02/95/99/644029599.db2.gz CUBLETYWERQVHB-ZDUSSCGKSA-N 1 0 234.343 1.803 20 10 BDCDRO Cc1cc(CN2CC[NH2+]C[C@H]2C)ccc1N(C)C ZINC000923279440 644311283 /nfs/dbraw/zinc/31/12/83/644311283.db2.gz AUKPFWPAIUFECE-CYBMUJFWSA-N 1 0 247.386 1.855 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1cc(F)ccc1O ZINC000094617858 644720509 /nfs/dbraw/zinc/72/05/09/644720509.db2.gz QZUUWIWSDVNAGL-MWLCHTKSSA-N 1 0 238.306 1.886 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1O ZINC000249958458 644745319 /nfs/dbraw/zinc/74/53/19/644745319.db2.gz JKRKDOHPOANPPD-ZYHUDNBSSA-N 1 0 221.300 1.595 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1CNCCO1)c1ccccc1O ZINC000817984032 644994135 /nfs/dbraw/zinc/99/41/35/644994135.db2.gz VCIKIOFLHGPVRD-GHMZBOCLSA-N 1 0 236.315 1.031 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1CNCCO1)c1ccccc1O ZINC000817984035 644994194 /nfs/dbraw/zinc/99/41/94/644994194.db2.gz VCIKIOFLHGPVRD-WDEREUQCSA-N 1 0 236.315 1.031 20 10 BDCDRO CN(C(=O)Cc1ccc(N)cc1)C1CC[NH2+]CC1 ZINC000832388330 645134542 /nfs/dbraw/zinc/13/45/42/645134542.db2.gz KWEUXJFNMIFSEO-UHFFFAOYSA-N 1 0 247.342 1.022 20 10 BDCDRO C[C@H]1NCCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925689552 646416845 /nfs/dbraw/zinc/41/68/45/646416845.db2.gz BXKNOEXKDGFNJK-BXUZGUMPSA-N 1 0 233.359 1.541 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1N[C@H]1CCc2cccc(O)c21 ZINC000925784377 646480784 /nfs/dbraw/zinc/48/07/84/646480784.db2.gz NCVSAWYIOCJJJA-ADEWGFFLSA-N 1 0 232.327 1.577 20 10 BDCDRO CC[C@H]([NH2+][C@@H]1CNOC1)c1ccccc1O ZINC000925862136 646514626 /nfs/dbraw/zinc/51/46/26/646514626.db2.gz LOZOWNZFEZICPJ-KOLCDFICSA-N 1 0 222.288 1.336 20 10 BDCDRO CO[C@H](C)C[N@H+](C)Cc1ccccc1O ZINC000182334452 711894866 /nfs/dbraw/zinc/89/48/66/711894866.db2.gz CNFQWZFFEYJTNV-SNVBAGLBSA-N 1 0 209.289 1.859 20 10 BDCDRO Cc1cccc(C[NH2+]C2CSC2)c1O ZINC000701971820 712033948 /nfs/dbraw/zinc/03/39/48/712033948.db2.gz ATXMXTOPNKWUQM-UHFFFAOYSA-N 1 0 209.314 1.906 20 10 BDCDRO COc1cccc(C[NH2+]CCOCCF)c1O ZINC000702643447 712057919 /nfs/dbraw/zinc/05/79/19/712057919.db2.gz CXEUIXWHIVULHR-UHFFFAOYSA-N 1 0 243.278 1.477 20 10 BDCDRO CCc1cccc(C[NH2+]CC(=O)N(C)C)c1O ZINC000709424988 712221794 /nfs/dbraw/zinc/22/17/94/712221794.db2.gz TWACSGIPXKBALD-UHFFFAOYSA-N 1 0 236.315 1.132 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H]2O)cc1C ZINC000378790161 712361228 /nfs/dbraw/zinc/36/12/28/712361228.db2.gz NBSNIPFMYCUYAU-VXGBXAGGSA-N 1 0 221.300 1.622 20 10 BDCDRO OC/C=C/C[NH2+]Cc1cc(Cl)ccc1O ZINC000717533687 712660803 /nfs/dbraw/zinc/66/08/03/712660803.db2.gz NCCHUPFQBWXBDT-OWOJBTEDSA-N 1 0 227.691 1.684 20 10 BDCDRO C[C@H]([NH2+]CC1OCCO1)c1ccccc1O ZINC000381339591 710624208 /nfs/dbraw/zinc/62/42/08/710624208.db2.gz XCFDDNPEVWNIAL-VIFPVBQESA-N 1 0 223.272 1.416 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](C)O ZINC000381647065 710666505 /nfs/dbraw/zinc/66/65/05/710666505.db2.gz BXQSNCFUDXTYLN-ZJUUUORDSA-N 1 0 221.300 1.480 20 10 BDCDRO C/C=C/C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000384763772 710996042 /nfs/dbraw/zinc/99/60/42/710996042.db2.gz QQTXAKFPUKDCBG-NSCUHMNNSA-N 1 0 221.256 1.787 20 10 BDCDRO CC1(C)CN(Cc2ccccc2O)CC[NH2+]1 ZINC000390554980 711125520 /nfs/dbraw/zinc/12/55/20/711125520.db2.gz QCCCNKXXTISQLJ-UHFFFAOYSA-N 1 0 220.316 1.576 20 10 BDCDRO CCN1C[C@@H]([NH2+]Cc2cc(C)ccc2O)CC1=O ZINC000391601110 711138734 /nfs/dbraw/zinc/13/87/34/711138734.db2.gz JSXTZGQZPLYNTE-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO CNC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000398536560 711412517 /nfs/dbraw/zinc/41/25/17/711412517.db2.gz ZEPIQKPTOAKXDH-NSHDSACASA-N 1 0 248.326 1.269 20 10 BDCDRO CCOC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000045686355 711487851 /nfs/dbraw/zinc/48/78/51/711487851.db2.gz OFZIKMNGZGLTAN-JTQLQIEISA-N 1 0 237.299 1.996 20 10 BDCDRO CCOC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000382449049 711504932 /nfs/dbraw/zinc/50/49/32/711504932.db2.gz HPNOKGNRLCONMW-WDEREUQCSA-N 1 0 239.315 1.440 20 10 BDCDRO Oc1ccc(F)cc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385390623 711704012 /nfs/dbraw/zinc/70/40/12/711704012.db2.gz SJIDDIDFMPYCIO-SKDRFNHKSA-N 1 0 236.290 1.325 20 10 BDCDRO CCN1CCC[C@H]([NH2+]Cc2ccccc2O)C1=O ZINC000722341524 711741363 /nfs/dbraw/zinc/74/13/63/711741363.db2.gz IUZIPLIBJRKZFH-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO COCC(COC)[NH2+]Cc1cccc(C)c1O ZINC000388426455 711878166 /nfs/dbraw/zinc/87/81/66/711878166.db2.gz KPJPVVAJWZJLBF-UHFFFAOYSA-N 1 0 239.315 1.452 20 10 BDCDRO COC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000700884210 712009667 /nfs/dbraw/zinc/00/96/67/712009667.db2.gz XCAXWWSZPQKKKV-UHFFFAOYSA-N 1 0 234.299 1.071 20 10 BDCDRO COC(=O)[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700925749 712010468 /nfs/dbraw/zinc/01/04/68/712010468.db2.gz WBVAGOPCEICEFH-SNVBAGLBSA-N 1 0 248.326 1.459 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccccc1O ZINC000707641943 712176224 /nfs/dbraw/zinc/17/62/24/712176224.db2.gz YMLXWCVQSWSBQC-MXWKQRLJSA-N 1 0 221.300 1.814 20 10 BDCDRO CN1CC[C@@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000712581803 712433637 /nfs/dbraw/zinc/43/36/37/712433637.db2.gz PSYZIFWNDNLLNS-NEPJUHHUSA-N 1 0 232.327 1.673 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@@H]2CCN2C)c1O ZINC000712580655 712433664 /nfs/dbraw/zinc/43/36/64/712433664.db2.gz NRHUCDKOCNGBBD-ZDUSSCGKSA-N 1 0 234.343 1.748 20 10 BDCDRO CCc1cccc(C[N@H+](CC)CCO)c1O ZINC000848875586 712610173 /nfs/dbraw/zinc/61/01/73/712610173.db2.gz ALOBSMKDQDLFNQ-UHFFFAOYSA-N 1 0 223.316 1.769 20 10 BDCDRO C[C@H]([NH2+]C/C=C/CO)c1ccccc1O ZINC000717533044 712660633 /nfs/dbraw/zinc/66/06/33/712660633.db2.gz MAJPWVZJDWTZEC-YEZKRMTDSA-N 1 0 207.273 1.591 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CCSCC2)c1O ZINC001140744258 960544318 /nfs/dbraw/zinc/54/43/18/960544318.db2.gz QYVWSMRGPLHLLL-UHFFFAOYSA-N 1 0 239.340 1.955 20 10 BDCDRO CC[N@H+](Cc1ccc(O)c(C)c1O)C1COC1 ZINC001140749278 960547791 /nfs/dbraw/zinc/54/77/91/960547791.db2.gz VAHKIHBULUSVAQ-UHFFFAOYSA-N 1 0 237.299 1.627 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C2(CO)CC2)c1 ZINC000696064921 965233691 /nfs/dbraw/zinc/23/36/91/965233691.db2.gz XSVHOHWKKJXLQT-LLVKDONJSA-N 1 0 235.327 1.951 20 10 BDCDRO Cn1ccc(CC[NH+]2CCCCC2)cc1=O ZINC001250241625 967552432 /nfs/dbraw/zinc/55/24/32/967552432.db2.gz HQNVHTMAMMGUIR-UHFFFAOYSA-N 1 0 220.316 1.414 20 10 BDCDRO COc1cc(F)c(N2CC[C@@H]([NH3+])C2)c(OC)c1 ZINC001164282173 968206667 /nfs/dbraw/zinc/20/66/67/968206667.db2.gz UKNGJKZUUHRELY-MRVPVSSYSA-N 1 0 240.278 1.380 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1c(O)ccc(F)c1F ZINC001236885216 979783008 /nfs/dbraw/zinc/78/30/08/979783008.db2.gz XTNFSIHNAVDCNG-QMMMGPOBSA-N 1 0 244.285 1.840 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2ccc(O)c(O)c2)C1 ZINC000405720198 971295447 /nfs/dbraw/zinc/29/54/47/971295447.db2.gz HWKDIKSNRLNDGB-GFCCVEGCSA-N 1 0 222.288 1.021 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2c(O)cccc2Cl)C1 ZINC000405851712 971315079 /nfs/dbraw/zinc/31/50/79/971315079.db2.gz YFVUUPGMMRQDER-GFCCVEGCSA-N 1 0 240.734 1.969 20 10 BDCDRO Nc1ccc(CO[C@@H]2C[NH2+]CCC[C@@H]2F)cc1 ZINC001217773425 971396965 /nfs/dbraw/zinc/39/69/65/971396965.db2.gz PGRRPTPJCPDHEF-QWHCGFSZSA-N 1 0 238.306 1.876 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H](O)C2CCC2)c1O ZINC000316683487 972290870 /nfs/dbraw/zinc/29/08/70/972290870.db2.gz ZIYJOSYYTDIJDB-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)C(C)C)c1 ZINC000092392550 959970879 /nfs/dbraw/zinc/97/08/79/959970879.db2.gz WGFVDJYUFNFEGX-LBPRGKRZSA-N 1 0 239.315 1.507 20 10 BDCDRO COC(=O)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC001140619717 960459748 /nfs/dbraw/zinc/45/97/48/960459748.db2.gz LQEJHNIAVZVRRV-UHFFFAOYSA-N 1 0 235.283 1.305 20 10 BDCDRO CC(=O)C[N@@H+](C)Cc1ccc(C)cc1O ZINC001140947689 960741731 /nfs/dbraw/zinc/74/17/31/960741731.db2.gz ATWQZVRLGOANEN-UHFFFAOYSA-N 1 0 207.273 1.721 20 10 BDCDRO COC(C[N@H+](C)Cc1ccc(C)cc1O)OC ZINC001140950705 960757211 /nfs/dbraw/zinc/75/72/11/960757211.db2.gz DTMFUPYAQSFPBM-UHFFFAOYSA-N 1 0 239.315 1.751 20 10 BDCDRO CN(CC[NH+](C)C)Cc1cc(O)ccc1O ZINC001141155642 960893116 /nfs/dbraw/zinc/89/31/16/960893116.db2.gz CJCUMEZETGFFLI-UHFFFAOYSA-N 1 0 224.304 1.091 20 10 BDCDRO C[C@@H]1CN(Cc2cc(O)ccc2O)CC[N@@H+]1C ZINC001141159813 960896771 /nfs/dbraw/zinc/89/67/71/960896771.db2.gz LIZIIGCYVSEFPT-SNVBAGLBSA-N 1 0 236.315 1.234 20 10 BDCDRO C[N@H+](Cc1cc(O)ccc1O)[C@@H]1CCOC1 ZINC001141159809 960897396 /nfs/dbraw/zinc/89/73/96/960897396.db2.gz KZBLFDJLOSNNJQ-SNVBAGLBSA-N 1 0 223.272 1.319 20 10 BDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162599 960904459 /nfs/dbraw/zinc/90/44/59/960904459.db2.gz WUGMZMGYIWQBQN-SNVBAGLBSA-N 1 0 235.283 1.509 20 10 BDCDRO O=C(C[NH2+][C@@H]1C[C@H]2C[C@H]2C1)c1ccc(O)c(O)c1 ZINC001167909554 961812464 /nfs/dbraw/zinc/81/24/64/961812464.db2.gz OFIHBCVULAPUPH-JGPRNRPPSA-N 1 0 247.294 1.669 20 10 BDCDRO Cc1cccc(O)c1CN1CC[C@@](C)([NH3+])C1 ZINC001204801402 963665066 /nfs/dbraw/zinc/66/50/66/963665066.db2.gz OGUNMWBXVJVNTM-CYBMUJFWSA-N 1 0 220.316 1.624 20 10 BDCDRO [NH3+][C@H]1CC[C@@H]1C(=O)N1CCc2cccc(O)c2C1 ZINC001160872008 964427891 /nfs/dbraw/zinc/42/78/91/964427891.db2.gz FRCJTVWQTISZLG-JQWIXIFHSA-N 1 0 246.310 1.014 20 10 BDCDRO Nc1ccc(Nc2cccc(CC[NH3+])c2)nc1 ZINC001161076864 964512942 /nfs/dbraw/zinc/51/29/42/964512942.db2.gz BZCHBGPTAMXKKX-UHFFFAOYSA-N 1 0 228.299 1.909 20 10 BDCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)C(=O)NC ZINC000697915089 964677223 /nfs/dbraw/zinc/67/72/23/964677223.db2.gz GJZZCMKIMGAHAZ-NSHDSACASA-N 1 0 236.315 1.315 20 10 BDCDRO COc1ccc(O)c(CN2CC(C)(C[NH3+])C2)c1 ZINC001206712146 966259010 /nfs/dbraw/zinc/25/90/10/966259010.db2.gz SWMAKTRJZMMKES-UHFFFAOYSA-N 1 0 236.315 1.181 20 10 BDCDRO CCc1ccc(CN2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236174429 966301074 /nfs/dbraw/zinc/30/10/74/966301074.db2.gz QJLRTZHODCKWIN-LBPRGKRZSA-N 1 0 220.316 1.488 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001236174204 966301488 /nfs/dbraw/zinc/30/14/88/966301488.db2.gz SXMRYQIHKMINEL-QMMMGPOBSA-N 1 0 242.706 1.284 20 10 BDCDRO Oc1ccc(F)c(F)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236296467 966356301 /nfs/dbraw/zinc/35/63/01/966356301.db2.gz QXZWHCCBEFIEMU-XCBNKYQSSA-N 1 0 240.253 1.074 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCC[C@@H]1O ZINC001203550510 966685270 /nfs/dbraw/zinc/68/52/70/966685270.db2.gz WPMMWANXWFXZHM-YPMHNXCESA-N 1 0 235.327 1.985 20 10 BDCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1O ZINC001203555646 966693151 /nfs/dbraw/zinc/69/31/51/966693151.db2.gz BAJYOUNHMYYOHO-ZYHUDNBSSA-N 1 0 221.300 1.737 20 10 BDCDRO CO[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874381 966795353 /nfs/dbraw/zinc/79/53/53/966795353.db2.gz VRJTUTTUNJNSDK-NSHDSACASA-N 1 0 237.299 1.709 20 10 BDCDRO C[N@@H+](Cc1ccc(O)c(O)c1)CC1CC1 ZINC001203874151 966806171 /nfs/dbraw/zinc/80/61/71/966806171.db2.gz QLIOQPZYDBCOJG-UHFFFAOYSA-N 1 0 207.273 1.940 20 10 BDCDRO CN(Cc1ccc(O)c(O)c1)[C@@H]1CC[N@H+](C)C1 ZINC001203881086 966807829 /nfs/dbraw/zinc/80/78/29/966807829.db2.gz DFXOFYHBPZWVSZ-LLVKDONJSA-N 1 0 236.315 1.234 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)cc1O ZINC001203882193 966809305 /nfs/dbraw/zinc/80/93/05/966809305.db2.gz GASAMNMJWCMENH-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO CC(=O)CN(C)Cc1ccc(N(C)C)cc1 ZINC001203929865 966825864 /nfs/dbraw/zinc/82/58/64/966825864.db2.gz HVMAEICMIKMDQG-UHFFFAOYSA-N 1 0 220.316 1.773 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@@H]1O ZINC001204276074 966952774 /nfs/dbraw/zinc/95/27/74/966952774.db2.gz FTJDUFXMHQKIHH-RNCFNFMXSA-N 1 0 237.299 1.301 20 10 BDCDRO CN1C[C@H]2CCC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC001203556886 966974489 /nfs/dbraw/zinc/97/44/89/966974489.db2.gz WKRMAZKERGKXMF-OCCSQVGLSA-N 1 0 246.354 1.918 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2O)C[C@H]1[NH3+] ZINC001206070679 968040697 /nfs/dbraw/zinc/04/06/97/968040697.db2.gz POAFIVAOMWJPHE-ZWNOBZJWSA-N 1 0 249.358 1.237 20 10 BDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2ccccc2O)C1 ZINC001206402223 968277341 /nfs/dbraw/zinc/27/73/41/968277341.db2.gz CJHVNACGBGYOSB-QWRGUYRKSA-N 1 0 224.279 1.263 20 10 BDCDRO C[C@H](O)C[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001251962029 968397268 /nfs/dbraw/zinc/39/72/68/968397268.db2.gz DJTQLHKRCLGULL-VIFPVBQESA-N 1 0 237.299 1.227 20 10 BDCDRO CC(=O)N1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC001169501542 969685613 /nfs/dbraw/zinc/68/56/13/969685613.db2.gz AHIMATTVFKNJIW-JQWIXIFHSA-N 1 0 248.326 1.664 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCCOCC2)c(O)c1 ZINC001144500145 972847622 /nfs/dbraw/zinc/84/76/22/972847622.db2.gz PUBICDPSDUPLLX-UHFFFAOYSA-N 1 0 239.271 1.026 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2CF)c(O)c1 ZINC001144520640 972854665 /nfs/dbraw/zinc/85/46/65/972854665.db2.gz XFTKTXVDYWPTKE-MRVPVSSYSA-N 1 0 241.262 1.737 20 10 BDCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@@H]1CCOC1 ZINC001144508999 972857704 /nfs/dbraw/zinc/85/77/04/972857704.db2.gz GXTSEBFSJDGPRN-MRVPVSSYSA-N 1 0 239.271 1.024 20 10 BDCDRO C[N@H+](Cc1c(O)cc(O)cc1O)C1(C)COC1 ZINC001144514920 972859157 /nfs/dbraw/zinc/85/91/57/972859157.db2.gz XTCWCBJFEJJNOS-UHFFFAOYSA-N 1 0 239.271 1.024 20 10 BDCDRO CSCC[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144515868 972859288 /nfs/dbraw/zinc/85/92/88/972859288.db2.gz HJFMJAADYASTIC-UHFFFAOYSA-N 1 0 243.328 1.598 20 10 BDCDRO Cc1cccc(CNc2cc(C[NH3+])ncn2)c1O ZINC001160769477 973050780 /nfs/dbraw/zinc/05/07/80/973050780.db2.gz OYOMEXRIWBQOIJ-UHFFFAOYSA-N 1 0 244.298 1.561 20 10 BDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@@H]2[NH2+][C@@H]1CNOC1 ZINC001332880546 975308464 /nfs/dbraw/zinc/30/84/64/975308464.db2.gz WWBASPXVIQSLDM-MXWKQRLJSA-N 1 0 248.326 1.742 20 10 BDCDRO CN(C)c1ccc(O[C@@H]2CC[N@H+](C)C2)cc1 ZINC001227940424 975805404 /nfs/dbraw/zinc/80/54/04/975805404.db2.gz LMYUMPNQACABDD-CYBMUJFWSA-N 1 0 220.316 1.836 20 10 BDCDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc(N)cc1 ZINC001335288432 976927627 /nfs/dbraw/zinc/92/76/27/976927627.db2.gz FVNJPZYTAHVBET-GFCCVEGCSA-N 1 0 219.332 1.499 20 10 BDCDRO CN(c1ccc(N)cc1)C1=CCC[N@H+](C)C1 ZINC001175578244 977595884 /nfs/dbraw/zinc/59/58/84/977595884.db2.gz JGOZJLPZPLLVJO-UHFFFAOYSA-N 1 0 217.316 1.924 20 10 BDCDRO Nc1ccc(C[NH2+]C2(CO)CCC2)cc1 ZINC001336285227 977613802 /nfs/dbraw/zinc/61/38/02/977613802.db2.gz JQEACQNYEOGLLD-UHFFFAOYSA-N 1 0 206.289 1.273 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1O ZINC001231590632 977641314 /nfs/dbraw/zinc/64/13/14/977641314.db2.gz CIXOZFIAMKTLJX-GWCFXTLKSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC001231843024 977760351 /nfs/dbraw/zinc/76/03/51/977760351.db2.gz SJWZPKVHRHMREX-CQSZACIVSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC001231846012 977760544 /nfs/dbraw/zinc/76/05/44/977760544.db2.gz XTEHLXFPXKJXIJ-LBPRGKRZSA-N 1 0 235.327 1.823 20 10 BDCDRO Cc1cc(O)c(C[NH+]2CC(CO)C2)cc1Cl ZINC001231871127 977778592 /nfs/dbraw/zinc/77/85/92/977778592.db2.gz ZGIIHTKOYGTHAS-UHFFFAOYSA-N 1 0 241.718 1.778 20 10 BDCDRO CC1C[NH+](Cc2ccc(N(C)C)cc2O)C1 ZINC001232834718 978303174 /nfs/dbraw/zinc/30/31/74/978303174.db2.gz KLNGPVPKHMAHEP-UHFFFAOYSA-N 1 0 220.316 1.910 20 10 BDCDRO CC[NH+](CC)Cc1cc(O)c(O)c(O)c1 ZINC001233010069 978406887 /nfs/dbraw/zinc/40/68/87/978406887.db2.gz JPESRVHRGATCSQ-UHFFFAOYSA-N 1 0 211.261 1.645 20 10 BDCDRO Nc1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)cc1 ZINC001206445232 979022359 /nfs/dbraw/zinc/02/23/59/979022359.db2.gz NVMOLSQXNYWQJD-ZYHUDNBSSA-N 1 0 223.295 1.140 20 10 BDCDRO COc1ccc(O)c(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981899 979261317 /nfs/dbraw/zinc/26/13/17/979261317.db2.gz SNWJDUQPCBVJEQ-BXUZGUMPSA-N 1 0 248.326 1.324 20 10 BDCDRO Cc1cccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990656 979271632 /nfs/dbraw/zinc/27/16/32/979271632.db2.gz NFAVIPNKYNXNJD-TZMCWYRMSA-N 1 0 232.327 1.624 20 10 BDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc(O)ccc1O)C2 ZINC001235991233 979278254 /nfs/dbraw/zinc/27/82/54/979278254.db2.gz KSLPVTZRHNSMLL-MFKMUULPSA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1cc(F)cc(CN2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236019135 979310526 /nfs/dbraw/zinc/31/05/26/979310526.db2.gz BJFCILGMASPKFL-GWCFXTLKSA-N 1 0 236.290 1.373 20 10 BDCDRO CCOc1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236027728 979324760 /nfs/dbraw/zinc/32/47/60/979324760.db2.gz OGJGRDFPVLQEHC-BXUZGUMPSA-N 1 0 248.326 1.324 20 10 BDCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccc(N)cc1 ZINC001236133115 979403344 /nfs/dbraw/zinc/40/33/44/979403344.db2.gz QAOHMUOIJAZARY-CQSZACIVSA-N 1 0 233.359 1.843 20 10 BDCDRO Cc1cccc(O)c1CN1CC[C@H]([NH3+])C1 ZINC001236173514 979430751 /nfs/dbraw/zinc/43/07/51/979430751.db2.gz KLBMSCVLJGBOTD-JTQLQIEISA-N 1 0 206.289 1.234 20 10 BDCDRO Oc1cc(Cl)ccc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236284269 979486927 /nfs/dbraw/zinc/48/69/27/979486927.db2.gz HIQVGGJXWLHXJI-KOLCDFICSA-N 1 0 238.718 1.449 20 10 BDCDRO CCOc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236292576 979498935 /nfs/dbraw/zinc/49/89/35/979498935.db2.gz NJPCPABLYJLNLT-WCQYABFASA-N 1 0 248.326 1.195 20 10 BDCDRO CCc1ccc(C[N@@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001236787749 979728643 /nfs/dbraw/zinc/72/86/43/979728643.db2.gz KSSOAMWUEIWJOW-AWEZNQCLSA-N 1 0 246.354 1.845 20 10 BDCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560525 979757796 /nfs/dbraw/zinc/75/77/96/979757796.db2.gz BQUUQZMOACIYHK-TZMCWYRMSA-N 1 0 246.354 1.918 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(C)cc1O ZINC001236869160 979771139 /nfs/dbraw/zinc/77/11/39/979771139.db2.gz UQFNZXCTBZDGOV-LBPRGKRZSA-N 1 0 222.332 1.870 20 10 BDCDRO C[NH+](C)[C@H]1C[C@@H](C(=O)NCc2ccccc2O)C1 ZINC001183376993 979828575 /nfs/dbraw/zinc/82/85/75/979828575.db2.gz ZUKYGUNDOQHBED-TXEJJXNPSA-N 1 0 248.326 1.349 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCN(C)C1 ZINC001237488998 979916244 /nfs/dbraw/zinc/91/62/44/979916244.db2.gz BJNPUDWVWOEOCD-GFCCVEGCSA-N 1 0 234.343 1.837 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1c(C)cccc1O ZINC001237491969 979916564 /nfs/dbraw/zinc/91/65/64/979916564.db2.gz NFCZCWDPTSUYIM-UHFFFAOYSA-N 1 0 237.299 1.696 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC12COC2 ZINC001237489925 979917537 /nfs/dbraw/zinc/91/75/37/979917537.db2.gz OJKZIBLZAFCNGO-UHFFFAOYSA-N 1 0 219.284 1.675 20 10 BDCDRO Nc1ccc(CNC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC001343473917 980118962 /nfs/dbraw/zinc/11/89/62/980118962.db2.gz RVFBSTKVQFFZPV-LBPRGKRZSA-N 1 0 247.342 1.275 20 10 BDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N)cc1)[NH+](C)C ZINC001343474283 980119232 /nfs/dbraw/zinc/11/92/32/980119232.db2.gz UCEVKYZWTPYLEE-ZDUSSCGKSA-N 1 0 249.358 1.471 20 10 BDCDRO COCC[N@H+](C)Cc1cc(F)cc(C)c1O ZINC001238058438 980134789 /nfs/dbraw/zinc/13/47/89/980134789.db2.gz RXNHJQLZGHWRPM-UHFFFAOYSA-N 1 0 227.279 1.918 20 10 BDCDRO C[C@H]([NH2+]Cc1ccc(N)cc1)c1ccnn1C ZINC001345160084 980569952 /nfs/dbraw/zinc/56/99/52/980569952.db2.gz QTLKQLKFSUGPAP-JTQLQIEISA-N 1 0 230.315 1.853 20 10 BDCDRO Nc1ccc(CNC(=O)CC2CC([NH3+])C2)cc1 ZINC001346210383 980786006 /nfs/dbraw/zinc/78/60/06/980786006.db2.gz QEIDBSSOENEPED-UHFFFAOYSA-N 1 0 233.315 1.012 20 10 BDCDRO Nc1ccc(CNC(=O)CC2([NH3+])CCC2)cc1 ZINC001346219619 980788079 /nfs/dbraw/zinc/78/80/79/980788079.db2.gz IACLLTSEBWFIOG-UHFFFAOYSA-N 1 0 233.315 1.157 20 10 BDCDRO Cn1ccc(-c2c[nH+]cc3cc[nH]c32)cc1=O ZINC001240986802 982071271 /nfs/dbraw/zinc/07/12/71/982071271.db2.gz VUZXKXZGFHVORL-UHFFFAOYSA-N 1 0 225.251 1.929 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC[C@]23CCOC3)cc1O ZINC001203878565 982568498 /nfs/dbraw/zinc/56/84/98/982568498.db2.gz CPFADUMHWBKKPD-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO C[N@H+](Cc1ccc(N)cc1)CC1(CO)CC1 ZINC001352789620 982581381 /nfs/dbraw/zinc/58/13/81/982581381.db2.gz KUPSWVSTZBFGIE-UHFFFAOYSA-N 1 0 220.316 1.473 20 10 BDCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882547 982585172 /nfs/dbraw/zinc/58/51/72/982585172.db2.gz KWCSZQZJMSGRMZ-KOLCDFICSA-N 1 0 237.299 1.443 20 10 BDCDRO COCC[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC001356083644 983569326 /nfs/dbraw/zinc/56/93/26/983569326.db2.gz WUNLXHDFKFZGQX-UHFFFAOYSA-N 1 0 249.358 1.033 20 10 BDCDRO COC(=O)N(C)CC[NH2+]Cc1ccccc1O ZINC000689494309 986678304 /nfs/dbraw/zinc/67/83/04/986678304.db2.gz OXCRUEURXMLHQR-UHFFFAOYSA-N 1 0 238.287 1.180 20 10 BDCDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC001580375728 986803918 /nfs/dbraw/zinc/80/39/18/986803918.db2.gz CTIFZIGXVJVVQP-CMPLNLGQSA-N 1 0 246.310 1.362 20 10 BDCDRO COc1cc(C)c(C[N@H+](C)CCCO)c(O)c1 ZINC001474470072 987729215 /nfs/dbraw/zinc/72/92/15/987729215.db2.gz YBEMOLSKEJQZNH-UHFFFAOYSA-N 1 0 239.315 1.523 20 10 BDCDRO C[C@H]1CC[C@@H](N(C)Cc2ccccc2O)C[NH2+]1 ZINC001246858807 988590381 /nfs/dbraw/zinc/59/03/81/988590381.db2.gz BWWFLEYWTIASJP-WCQYABFASA-N 1 0 234.343 1.965 20 10 BDCDRO C[C@@H](NC(=O)C1([NH3+])CCC1)c1ccccc1O ZINC001118992483 988778948 /nfs/dbraw/zinc/77/89/48/988778948.db2.gz KYAVOJGJKGFKOU-SECBINFHSA-N 1 0 234.299 1.451 20 10 BDCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1OC)[C@H](C)O ZINC001325133329 989096046 /nfs/dbraw/zinc/09/60/46/989096046.db2.gz PIVRNMDTXAPWHX-GXSJLCMTSA-N 1 0 239.315 1.650 20 10 BDCDRO C[C@H]1CCCN(Cc2ccc(N)cc2)[C@@H]1C[NH3+] ZINC001120263967 989621829 /nfs/dbraw/zinc/62/18/29/989621829.db2.gz YGYDIFMYWQDIHU-SMDDNHRTSA-N 1 0 233.359 1.828 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)[C@H](C)CN1C ZINC001120371047 989641518 /nfs/dbraw/zinc/64/15/18/989641518.db2.gz NSKVUXFKFFFPJV-VXGBXAGGSA-N 1 0 233.359 1.793 20 10 BDCDRO Nc1ccc(CC(=O)NC[C@H]2CC[C@@H]([NH3+])C2)cc1 ZINC001523249280 989898267 /nfs/dbraw/zinc/89/82/67/989898267.db2.gz YAQBQGFUMXZXMR-WCQYABFASA-N 1 0 247.342 1.055 20 10 BDCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000828015575 990817098 /nfs/dbraw/zinc/81/70/98/990817098.db2.gz JCKLQKFNEFOWKB-FZMZJTMJSA-N 1 0 246.310 1.008 20 10 BDCDRO CC(C)C[C@@H]([NH3+])CC(=O)N(C)c1ccc(N)cc1 ZINC001340849422 991329330 /nfs/dbraw/zinc/32/93/30/991329330.db2.gz XFAVDHNLPBZUDQ-GFCCVEGCSA-N 1 0 249.358 1.995 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC001140057102 991508020 /nfs/dbraw/zinc/50/80/20/991508020.db2.gz COQMLGAJUCUYFQ-NOZJJQNGSA-N 1 0 239.290 1.734 20 10 BDCDRO CN(Cc1ccn(C)n1)Cc1cc(F)ccc1O ZINC001561045410 991702199 /nfs/dbraw/zinc/70/21/99/991702199.db2.gz YQZKYWIAOCKZSS-UHFFFAOYSA-N 1 0 249.289 1.897 20 10 BDCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001261256852 992226411 /nfs/dbraw/zinc/22/64/11/992226411.db2.gz WIGSNVGSPCPCFF-OTVXOJSOSA-N 1 0 246.354 1.900 20 10 BDCDRO Cc1cc(O)c(CNC2C[NH2+]C2)c(Cl)c1 ZINC001574144395 992813709 /nfs/dbraw/zinc/81/37/09/992813709.db2.gz QDCKFAXDUZYUNO-UHFFFAOYSA-N 1 0 226.707 1.415 20 10 BDCDRO NOCCC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001262488018 992892901 /nfs/dbraw/zinc/89/29/01/992892901.db2.gz NEQVFKRAWRLJAU-UHFFFAOYSA-N 1 0 249.358 1.657 20 10 BDCDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccc(N)cc2)C1 ZINC001576728972 993406263 /nfs/dbraw/zinc/40/62/63/993406263.db2.gz BBBDFUXJHAJGAO-NSHDSACASA-N 1 0 247.342 1.227 20 10 BDCDRO CCN1CC[C@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC000389188000 993744009 /nfs/dbraw/zinc/74/40/09/993744009.db2.gz SZODQOWCYNZGPP-NSHDSACASA-N 1 0 236.315 1.282 20 10 BDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC000389186395 993744583 /nfs/dbraw/zinc/74/45/83/993744583.db2.gz SEQSRLILTGPTNP-LLVKDONJSA-N 1 0 236.315 1.282 20 10 BDCDRO CCC(CC)(C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262577735 168324653 /nfs/dbraw/zinc/32/46/53/168324653.db2.gz LONKYUOEBSSRSE-UHFFFAOYSA-N 1 0 249.358 1.445 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CC(C)(C)O)cc1C ZINC000164538968 178197624 /nfs/dbraw/zinc/19/76/24/178197624.db2.gz BENFXBWTXVBMCF-UHFFFAOYSA-N 1 0 223.316 1.870 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CCCCO)cc1C ZINC000193255736 178197836 /nfs/dbraw/zinc/19/78/36/178197836.db2.gz XZVIXJPIUOHUGD-UHFFFAOYSA-N 1 0 223.316 1.871 20 10 BDCDRO CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000133139774 398310707 /nfs/dbraw/zinc/31/07/07/398310707.db2.gz UDNXNDAMHZTKIO-NXEZZACHSA-N 1 0 209.289 1.905 20 10 BDCDRO C[C@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1O ZINC000228791599 398341732 /nfs/dbraw/zinc/34/17/32/398341732.db2.gz MJQPSMBSCAOCDA-OIBJUYFYSA-N 1 0 249.232 1.966 20 10 BDCDRO CC[C@@H]([NH2+][C@@H](C)CO)c1ccccc1O ZINC000035602845 343299773 /nfs/dbraw/zinc/29/97/73/343299773.db2.gz YWQZBLCLTGPWSI-GXSJLCMTSA-N 1 0 209.289 1.814 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](C)O)c1ccc(N(C)C)cc1 ZINC000037257686 343341402 /nfs/dbraw/zinc/34/14/02/343341402.db2.gz CZLVRXCMSXZNIW-WDEREUQCSA-N 1 0 222.332 1.784 20 10 BDCDRO CN(C)c1ccc(CNC(=O)CCC[NH3+])cc1 ZINC000040825802 343409955 /nfs/dbraw/zinc/40/99/55/343409955.db2.gz WADSLBXDRKCUAI-UHFFFAOYSA-N 1 0 235.331 1.108 20 10 BDCDRO Nc1ccc(CN2CC[NH+](C3CC3)CC2)cc1 ZINC000042317629 343434546 /nfs/dbraw/zinc/43/45/46/343434546.db2.gz XAIXMLZCBNHJKI-UHFFFAOYSA-N 1 0 231.343 1.549 20 10 BDCDRO OC[C@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092763757 343785097 /nfs/dbraw/zinc/78/50/97/343785097.db2.gz MYWIBLWJLDNDLA-VIFPVBQESA-N 1 0 241.718 1.860 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCOC2)c1 ZINC000120220124 178799170 /nfs/dbraw/zinc/79/91/70/178799170.db2.gz LVDQYCYSVHYLAD-ZDUSSCGKSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1cccc(C[N@@H+](CC(N)=O)C(C)C)c1O ZINC000124514537 179071013 /nfs/dbraw/zinc/07/10/13/179071013.db2.gz UFQBAIJPYXIBAI-UHFFFAOYSA-N 1 0 236.315 1.396 20 10 BDCDRO Cc1cccc(C[N@@H+](C)CC[C@@H](C)O)c1O ZINC000132508300 179065697 /nfs/dbraw/zinc/06/56/97/179065697.db2.gz ANZBVOHVNQILHB-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1cccc(C[N@H+]2CCNC(=O)C[C@@H]2C)c1O ZINC000368132323 179075737 /nfs/dbraw/zinc/07/57/37/179075737.db2.gz FSHZBPKCQXQLPP-NSHDSACASA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(C[NH2+]C(C)(C)[C@@H](C)O)c1O ZINC000162726173 179088309 /nfs/dbraw/zinc/08/83/09/179088309.db2.gz FVSQSFNAUIRNHY-SNVBAGLBSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1O ZINC000124835576 179098193 /nfs/dbraw/zinc/09/81/93/179098193.db2.gz GOQNEULKJGXYLF-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCCCNC2=O)c1O ZINC000124696833 179102034 /nfs/dbraw/zinc/10/20/34/179102034.db2.gz BKMNULVYKJKWOA-LBPRGKRZSA-N 1 0 248.326 1.459 20 10 BDCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1 ZINC000637868700 351733386 /nfs/dbraw/zinc/73/33/86/351733386.db2.gz IKPBMWAZTZGMMZ-NSHDSACASA-N 1 0 216.284 1.697 20 10 BDCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCNC1=O ZINC000281798981 351909916 /nfs/dbraw/zinc/90/99/16/351909916.db2.gz OSOSABQEXZYAEZ-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO CC[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000127390610 358561790 /nfs/dbraw/zinc/56/17/90/358561790.db2.gz YKCPOVLXYWVJDP-CYBMUJFWSA-N 1 0 235.327 1.872 20 10 BDCDRO OCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296009500 183060807 /nfs/dbraw/zinc/06/08/07/183060807.db2.gz OTEOSLNJOJNZKX-SNVBAGLBSA-N 1 0 207.273 1.352 20 10 BDCDRO OC[C@@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179981287 183119509 /nfs/dbraw/zinc/11/95/09/183119509.db2.gz XBIMAHYLASNODZ-NSHDSACASA-N 1 0 225.263 1.488 20 10 BDCDRO Oc1ccccc1C[N@H+](C1CC1)C1COC1 ZINC000296201958 183301586 /nfs/dbraw/zinc/30/15/86/183301586.db2.gz ZFBQKGDUBUOTQP-UHFFFAOYSA-N 1 0 219.284 1.755 20 10 BDCDRO Oc1ccccc1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000245908672 183302380 /nfs/dbraw/zinc/30/23/80/183302380.db2.gz MESVLDUWAGLFNN-ZDUSSCGKSA-N 1 0 232.327 1.672 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000363940275 183303336 /nfs/dbraw/zinc/30/33/36/183303336.db2.gz XOOYODZUZZPZDV-LBPRGKRZSA-N 1 0 243.310 1.762 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000070880282 183303744 /nfs/dbraw/zinc/30/37/44/183303744.db2.gz RTNHHAZPHGGSJN-GFCCVEGCSA-N 1 0 207.273 1.253 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H]1CCOC1 ZINC000037738032 183303763 /nfs/dbraw/zinc/30/37/63/183303763.db2.gz AUFJXIPUDALONE-SNVBAGLBSA-N 1 0 207.273 1.518 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188818653 183304128 /nfs/dbraw/zinc/30/41/28/183304128.db2.gz IWYRJVOFKJLDAE-JQWIXIFHSA-N 1 0 221.300 1.643 20 10 BDCDRO COC[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000072629626 384012830 /nfs/dbraw/zinc/01/28/30/384012830.db2.gz IBVFMJLFYQFRMG-SNVBAGLBSA-N 1 0 209.289 1.859 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000071012510 384147693 /nfs/dbraw/zinc/14/76/93/384147693.db2.gz DBHNPCUBFZHHNG-GFCCVEGCSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCOC2)c1 ZINC000071012513 384148109 /nfs/dbraw/zinc/14/81/09/384148109.db2.gz DBHNPCUBFZHHNG-LBPRGKRZSA-N 1 0 221.300 1.969 20 10 BDCDRO COC[C@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000071264963 384156334 /nfs/dbraw/zinc/15/63/34/384156334.db2.gz YVMWENYSVJPPTL-GHMZBOCLSA-N 1 0 239.315 1.359 20 10 BDCDRO COC[C@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000071265164 384156610 /nfs/dbraw/zinc/15/66/10/384156610.db2.gz LBIKVFCCIAOASP-GHMZBOCLSA-N 1 0 239.315 1.359 20 10 BDCDRO C[C@H](CCO)[NH2+][C@H](C)c1ccccc1O ZINC000132433380 384189643 /nfs/dbraw/zinc/18/96/43/384189643.db2.gz HATLBZPDAXAMOR-NXEZZACHSA-N 1 0 209.289 1.814 20 10 BDCDRO COC[C@@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000132679499 384242990 /nfs/dbraw/zinc/24/29/90/384242990.db2.gz WLKJJYKWRFEXJY-SNVBAGLBSA-N 1 0 239.315 1.868 20 10 BDCDRO C[C@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000120820928 384382778 /nfs/dbraw/zinc/38/27/78/384382778.db2.gz GJLMVLIBOKYEQM-ZWNOBZJWSA-N 1 0 233.311 1.889 20 10 BDCDRO C[C@@H](O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000078780795 384465210 /nfs/dbraw/zinc/46/52/10/384465210.db2.gz HFOMDRBSDDPXMV-MRVPVSSYSA-N 1 0 229.707 1.906 20 10 BDCDRO C[C@@H](CCO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000097439050 384520812 /nfs/dbraw/zinc/52/08/12/384520812.db2.gz FWEZDGHJGMEWJX-LBPRGKRZSA-N 1 0 236.359 1.861 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000019904652 384552261 /nfs/dbraw/zinc/55/22/61/384552261.db2.gz VWPCASGGWYOJPE-SECBINFHSA-N 1 0 225.288 1.525 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000272919357 384623367 /nfs/dbraw/zinc/62/33/67/384623367.db2.gz XULWYGVCQKNPKI-ZJUUUORDSA-N 1 0 234.299 1.274 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000272919355 384624359 /nfs/dbraw/zinc/62/43/59/384624359.db2.gz XULWYGVCQKNPKI-VHSXEESVSA-N 1 0 234.299 1.274 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000020196165 384596064 /nfs/dbraw/zinc/59/60/64/384596064.db2.gz GWSXSDQVXBPGMQ-JTQLQIEISA-N 1 0 225.288 1.261 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)CO)c(O)c1 ZINC000083219206 384752910 /nfs/dbraw/zinc/75/29/10/384752910.db2.gz DMCHHMIEBFEDPQ-QWRGUYRKSA-N 1 0 223.316 1.980 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1O ZINC000084061484 384832075 /nfs/dbraw/zinc/83/20/75/384832075.db2.gz MJMJXDGJRCWKJL-QWRGUYRKSA-N 1 0 248.326 1.664 20 10 BDCDRO O=C1OCC[C@]12CCC[N@H+]2Cc1ccccc1O ZINC000190030803 385205259 /nfs/dbraw/zinc/20/52/59/385205259.db2.gz WAKRXYMSUALBPC-CQSZACIVSA-N 1 0 247.294 1.674 20 10 BDCDRO CO[C@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000191207243 385292274 /nfs/dbraw/zinc/29/22/74/385292274.db2.gz KOZUFMRWIXURQN-LLVKDONJSA-N 1 0 222.332 1.877 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000156655024 385463355 /nfs/dbraw/zinc/46/33/55/385463355.db2.gz AONQCUZCVVNYFQ-UWVGGRQHSA-N 1 0 236.315 1.334 20 10 BDCDRO C[C@@H]([NH2+]CCCOCCO)c1ccccc1O ZINC000183721922 385793418 /nfs/dbraw/zinc/79/34/18/385793418.db2.gz MRRCKOZMCXTWMD-LLVKDONJSA-N 1 0 239.315 1.442 20 10 BDCDRO Nc1ccc(NC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000294773256 385893363 /nfs/dbraw/zinc/89/33/63/385893363.db2.gz MYFHCZINZOGIBC-YGRLFVJLSA-N 1 0 245.326 1.597 20 10 BDCDRO C[C@@]1(O)CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000272527172 385911026 /nfs/dbraw/zinc/91/10/26/385911026.db2.gz ZACLSGSUDJFUBU-GFCCVEGCSA-N 1 0 225.263 1.488 20 10 BDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000234892399 386114514 /nfs/dbraw/zinc/11/45/14/386114514.db2.gz VDEGACKVQUGGBT-VHSXEESVSA-N 1 0 225.288 1.050 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)CO)c1 ZINC000289517183 386320669 /nfs/dbraw/zinc/32/06/69/386320669.db2.gz VCTYDJQENQJXAZ-SNVBAGLBSA-N 1 0 209.289 1.513 20 10 BDCDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226611405 386344905 /nfs/dbraw/zinc/34/49/05/386344905.db2.gz SEQZRDZYCLQGEL-IUCAKERBSA-N 1 0 227.279 1.638 20 10 BDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000289900489 386367059 /nfs/dbraw/zinc/36/70/59/386367059.db2.gz UBRLGSMQOKPAMB-AAEUAGOBSA-N 1 0 237.299 1.204 20 10 BDCDRO COC[C@@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000226587911 386337892 /nfs/dbraw/zinc/33/78/92/386337892.db2.gz WNRHVQSDFNJVNP-VIFPVBQESA-N 1 0 227.279 1.903 20 10 BDCDRO COC[C@@H](C[NH2+]Cc1cc(F)ccc1O)OC ZINC000227717467 386506670 /nfs/dbraw/zinc/50/66/70/386506670.db2.gz OGHCDTPEXWNBGQ-LLVKDONJSA-N 1 0 243.278 1.282 20 10 BDCDRO C[N@H+](CCC(C)(C)O)Cc1ccccc1O ZINC000267456608 386546436 /nfs/dbraw/zinc/54/64/36/386546436.db2.gz SZWNTRGGRDCEPW-UHFFFAOYSA-N 1 0 223.316 1.985 20 10 BDCDRO CC[C@H](CO)[N@H+](C)Cc1cc(C)ccc1O ZINC000295074396 386690831 /nfs/dbraw/zinc/69/08/31/386690831.db2.gz HSBJFKIFYCWBOK-GFCCVEGCSA-N 1 0 223.316 1.903 20 10 BDCDRO CO[C@@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000191204950 386776554 /nfs/dbraw/zinc/77/65/54/386776554.db2.gz JZFJEBNIGVOGFO-QMMMGPOBSA-N 1 0 213.252 1.656 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]CC2COC2)c(O)c1 ZINC000528023049 387828306 /nfs/dbraw/zinc/82/83/06/387828306.db2.gz CDQDPEOVRRAVDJ-SNVBAGLBSA-N 1 0 221.300 1.998 20 10 BDCDRO COc1cc(Cl)cc(C[NH2+]CCO)c1O ZINC000076274284 387864999 /nfs/dbraw/zinc/86/49/99/387864999.db2.gz RUVWXHNTJBTLGS-UHFFFAOYSA-N 1 0 231.679 1.136 20 10 BDCDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077423744 387912147 /nfs/dbraw/zinc/91/21/47/387912147.db2.gz GVMZZAKAHAGPPY-QWRGUYRKSA-N 1 0 235.327 1.728 20 10 BDCDRO COC[C@@H](O)CC[NH2+]Cc1cccc(C)c1O ZINC000224932967 387942026 /nfs/dbraw/zinc/94/20/26/387942026.db2.gz BWHUPOHPEJYIIJ-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1ccccc1O ZINC000164253865 388182952 /nfs/dbraw/zinc/18/29/52/388182952.db2.gz KGQWHRSITWNHOZ-RFAUZJTJSA-N 1 0 227.329 1.249 20 10 BDCDRO CC1CCN(c2ccc(CNC(N)=[NH2+])cc2)CC1 ZINC000264734581 132179759 /nfs/dbraw/zinc/17/97/59/132179759.db2.gz LPXRQDXPNBPOKD-UHFFFAOYSA-N 1 0 246.358 1.906 20 10 BDCDRO C[C@@H](CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295782696 398087703 /nfs/dbraw/zinc/08/77/03/398087703.db2.gz AZVWVETYNIOKNZ-MWLCHTKSSA-N 1 0 221.300 1.598 20 10 BDCDRO C[C@H](CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295782700 398087967 /nfs/dbraw/zinc/08/79/67/398087967.db2.gz AZVWVETYNIOKNZ-ONGXEEELSA-N 1 0 221.300 1.598 20 10 BDCDRO CC(C)[NH2+]CC(=O)N(C)Cc1ccccc1O ZINC000037823778 167094320 /nfs/dbraw/zinc/09/43/20/167094320.db2.gz IQLKFHFLHIYZCL-UHFFFAOYSA-N 1 0 236.315 1.349 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c1 ZINC000219811731 411314861 /nfs/dbraw/zinc/31/48/61/411314861.db2.gz MVBLCUFGRLZEMT-GXTWGEPZSA-N 1 0 246.354 1.884 20 10 BDCDRO CCNC(=O)C[N@H+](CC)Cc1ccc(N)cc1 ZINC000035361322 170057262 /nfs/dbraw/zinc/05/72/62/170057262.db2.gz POXAHUMRBZQFTL-UHFFFAOYSA-N 1 0 235.331 1.227 20 10 BDCDRO CCOCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000156089179 170390334 /nfs/dbraw/zinc/39/03/34/170390334.db2.gz HGDMKUYJHUDMMH-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO CC[C@@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077111490 171171120 /nfs/dbraw/zinc/17/11/20/171171120.db2.gz DQZSJQORAWIMDK-AWEZNQCLSA-N 1 0 235.327 1.872 20 10 BDCDRO CC[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000274859954 171540017 /nfs/dbraw/zinc/54/00/17/171540017.db2.gz CQOUTCQKYXWLAW-PWSUYJOCSA-N 1 0 248.326 1.664 20 10 BDCDRO CN(C)C(=O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297542538 172360423 /nfs/dbraw/zinc/36/04/23/172360423.db2.gz FELINGIBGLXNNQ-LLVKDONJSA-N 1 0 248.326 1.447 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000037823731 172877979 /nfs/dbraw/zinc/87/79/79/172877979.db2.gz FGTZOGJZUUJLHT-LLVKDONJSA-N 1 0 248.326 1.350 20 10 BDCDRO CN1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000163759252 173056029 /nfs/dbraw/zinc/05/60/29/173056029.db2.gz QCBLHTHXXQCFSM-LBPRGKRZSA-N 1 0 220.316 1.576 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000042560269 173303692 /nfs/dbraw/zinc/30/36/92/173303692.db2.gz OTWYEEWJIQQPFP-BDAKNGLRSA-N 1 0 222.288 1.177 20 10 BDCDRO COCC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000081705325 174406652 /nfs/dbraw/zinc/40/66/52/174406652.db2.gz WBQHAOYEZGOLLC-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000071265166 174597862 /nfs/dbraw/zinc/59/78/62/174597862.db2.gz LBIKVFCCIAOASP-WDEREUQCSA-N 1 0 239.315 1.359 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CCN(C)C2)cc1C ZINC000042545920 175112122 /nfs/dbraw/zinc/11/21/22/175112122.db2.gz KLABIGYMNDUEKP-ZDUSSCGKSA-N 1 0 234.343 1.797 20 10 BDCDRO COc1ccc(N(C)CCC[NH3+])c(OC)c1 ZINC000020239918 175136262 /nfs/dbraw/zinc/13/62/62/175136262.db2.gz ZCVLLOSOTAYJHY-UHFFFAOYSA-N 1 0 224.304 1.489 20 10 BDCDRO COc1ccc(N(C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000051890129 175136581 /nfs/dbraw/zinc/13/65/81/175136581.db2.gz ANXUJOCRZIOSFQ-LLVKDONJSA-N 1 0 220.316 1.741 20 10 BDCDRO COc1ccc(O)c(C[N@H+](CCO)C(C)C)c1 ZINC000271793390 175157029 /nfs/dbraw/zinc/15/70/29/175157029.db2.gz JPYQTMMTCWLLDG-UHFFFAOYSA-N 1 0 239.315 1.604 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)CCO)c1 ZINC000097436197 175158730 /nfs/dbraw/zinc/15/87/30/175158730.db2.gz PQMBMGKLRGJOEL-SNVBAGLBSA-N 1 0 239.315 1.509 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCn2cccn2)c1 ZINC000042539170 175158986 /nfs/dbraw/zinc/15/89/86/175158986.db2.gz PQCLETXQYVBMOA-UHFFFAOYSA-N 1 0 247.298 1.387 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)N(C)C)c1 ZINC000038087868 175159133 /nfs/dbraw/zinc/15/91/33/175159133.db2.gz LOILEJBBTXYPPY-SNVBAGLBSA-N 1 0 238.331 1.441 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)N(C)C)c1 ZINC000038087867 175159294 /nfs/dbraw/zinc/15/92/94/175159294.db2.gz LOILEJBBTXYPPY-JTQLQIEISA-N 1 0 238.331 1.441 20 10 BDCDRO COc1cccc(C[NH+]2CC3(C2)CCOC3)c1O ZINC000293909906 175256817 /nfs/dbraw/zinc/25/68/17/175256817.db2.gz FYEFUUKRIRLUPO-UHFFFAOYSA-N 1 0 249.310 1.623 20 10 BDCDRO COc1cccc(C[NH2+]C(C)(C)CO)c1O ZINC000020196443 175262942 /nfs/dbraw/zinc/26/29/42/175262942.db2.gz NFSFAZUDGOXEJC-UHFFFAOYSA-N 1 0 225.288 1.261 20 10 BDCDRO COc1cccc(C[NH2+]CC[C@@H](C)OC)c1O ZINC000263831258 175264965 /nfs/dbraw/zinc/26/49/65/175264965.db2.gz VINWYZUYBITWRJ-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](C)CO)c1O ZINC000077421966 175268110 /nfs/dbraw/zinc/26/81/10/175268110.db2.gz YNSVVNCQDGCUAB-VHSXEESVSA-N 1 0 239.315 1.507 20 10 BDCDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccccc1O ZINC000193687324 177174211 /nfs/dbraw/zinc/17/42/11/177174211.db2.gz BUNGSUKQRXSLDE-CABZTGNLSA-N 1 0 234.299 1.006 20 10 BDCDRO C[NH2+]C[C@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000853248711 588728923 /nfs/dbraw/zinc/72/89/23/588728923.db2.gz IUIPPLPXHQUSHD-GFUIURDCSA-N 1 0 247.386 1.963 20 10 BDCDRO C[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892089668 582789095 /nfs/dbraw/zinc/78/90/95/582789095.db2.gz VSRCXCPRGJAOOB-IUCAKERBSA-N 1 0 237.303 1.100 20 10 BDCDRO C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1O ZINC000725849390 582907038 /nfs/dbraw/zinc/90/70/38/582907038.db2.gz MBWOSTABWQCDOP-LLVKDONJSA-N 1 0 243.310 1.903 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)c1O ZINC000814173161 583342759 /nfs/dbraw/zinc/34/27/59/583342759.db2.gz HDIXITNLYCAHNU-TZMCWYRMSA-N 1 0 246.354 1.837 20 10 BDCDRO CCN1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000205610702 583401464 /nfs/dbraw/zinc/40/14/64/583401464.db2.gz PQZXVBBIOKZADX-UHFFFAOYSA-N 1 0 234.343 1.838 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CCO)c1O ZINC000894284641 583410266 /nfs/dbraw/zinc/41/02/66/583410266.db2.gz RQUOAELJMMKPJE-SNVBAGLBSA-N 1 0 239.315 1.570 20 10 BDCDRO COc1cc(C)cc(C[NH2+]Cc2ccno2)c1O ZINC000894452890 583463670 /nfs/dbraw/zinc/46/36/70/583463670.db2.gz MPPAOSFSVHEZKO-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO Cc1nnc([C@H](C)[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000894779234 583519481 /nfs/dbraw/zinc/51/94/81/583519481.db2.gz XGVDRMGAABLHNE-VIFPVBQESA-N 1 0 246.314 1.978 20 10 BDCDRO Cc1nnc([C@H](C)[NH2+]Cc2c(C)cccc2O)[nH]1 ZINC000894778863 583519809 /nfs/dbraw/zinc/51/98/09/583519809.db2.gz TUXGVSCNGXXTAV-VIFPVBQESA-N 1 0 246.314 1.978 20 10 BDCDRO c1cc(C[NH2+]C[C@H]2COCO2)cc2c1OCC2 ZINC000894870551 583539696 /nfs/dbraw/zinc/53/96/96/583539696.db2.gz LXFSKMSYCSIOQG-LBPRGKRZSA-N 1 0 235.283 1.084 20 10 BDCDRO CC1=NO[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000895312073 583646972 /nfs/dbraw/zinc/64/69/72/583646972.db2.gz TXQYPIBOMMLBSY-LLVKDONJSA-N 1 0 220.272 1.647 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C2CSC2)c1O ZINC000895316028 583648771 /nfs/dbraw/zinc/64/87/71/583648771.db2.gz GOGFIOKERUNRIQ-UHFFFAOYSA-N 1 0 239.340 1.914 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1 ZINC000895784771 583727265 /nfs/dbraw/zinc/72/72/65/583727265.db2.gz LJZRGPNNWGVNRJ-LNSITVRQSA-N 1 0 247.338 1.903 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000858295511 588942963 /nfs/dbraw/zinc/94/29/63/588942963.db2.gz CFTQDZAOOHDEPX-AOOOYVTPSA-N 1 0 237.299 1.261 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897680116 584038418 /nfs/dbraw/zinc/03/84/18/584038418.db2.gz PIGUGQQMCIHYCD-DOMZBBRYSA-N 1 0 248.370 1.874 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897684009 584040357 /nfs/dbraw/zinc/04/03/57/584040357.db2.gz JCLFFDBFUCOINX-MFKMUULPSA-N 1 0 221.300 1.513 20 10 BDCDRO Cc1cccc(C[NH2+]C2CC(CCO)C2)c1O ZINC000898008081 584070431 /nfs/dbraw/zinc/07/04/31/584070431.db2.gz LJKNGCJQCHXATF-UHFFFAOYSA-N 1 0 235.327 1.951 20 10 BDCDRO Nc1ccc(CC[NH2+]C[C@@H](N)CC(F)F)cc1 ZINC000903917350 584827113 /nfs/dbraw/zinc/82/71/13/584827113.db2.gz LLEXJOORUUIPBO-NSHDSACASA-N 1 0 243.301 1.383 20 10 BDCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877076555 584889725 /nfs/dbraw/zinc/88/97/25/584889725.db2.gz RGGIBUUUGJMISE-UHFFFAOYSA-N 1 0 245.326 1.541 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)C2(CO)CC2)c1 ZINC000827903493 584901083 /nfs/dbraw/zinc/90/10/83/584901083.db2.gz ISWRYWNWQULLNP-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO C[C@H](CNC(=O)C1=CC(=O)CS1)[NH+](C)C ZINC000732268170 584934933 /nfs/dbraw/zinc/93/49/33/584934933.db2.gz DAQDTXAKIUHJCU-SSDOTTSWSA-N 1 0 228.317 1.134 20 10 BDCDRO CN1CCC[C@@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732277086 584935503 /nfs/dbraw/zinc/93/55/03/584935503.db2.gz DXWNMJLVZKENAH-MRVPVSSYSA-N 1 0 240.328 1.278 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1CCCNC1=O)c1ccccc1O ZINC000838916126 585078167 /nfs/dbraw/zinc/07/81/67/585078167.db2.gz DVFBHNBAXFUJPT-WDEREUQCSA-N 1 0 248.326 1.569 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC(C)(CO)C2)cc1 ZINC000839145441 585092116 /nfs/dbraw/zinc/09/21/16/585092116.db2.gz KAWURVMBKRACQT-UHFFFAOYSA-N 1 0 234.343 1.567 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000219836431 585149647 /nfs/dbraw/zinc/14/96/47/585149647.db2.gz IEILJIJOVPAZBY-SNVBAGLBSA-N 1 0 210.252 1.064 20 10 BDCDRO C[NH2+][C@@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000843048539 585330334 /nfs/dbraw/zinc/33/03/34/585330334.db2.gz GBULESLBFGFIOZ-LLVKDONJSA-N 1 0 238.306 1.715 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN(C)[C@@H](C)C[NH3+] ZINC000843051907 585331420 /nfs/dbraw/zinc/33/14/20/585331420.db2.gz MFZLYNZXLHRZJN-LBPRGKRZSA-N 1 0 235.375 1.840 20 10 BDCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000758396016 585355712 /nfs/dbraw/zinc/35/57/12/585355712.db2.gz BBEVLLRTULHRRP-GFCCVEGCSA-N 1 0 248.326 1.329 20 10 BDCDRO COc1cccc(C[N@H+](C)C2CC(O)C2)c1O ZINC000761223326 585412309 /nfs/dbraw/zinc/41/23/09/585412309.db2.gz PIVMRKDBGSZRPY-UHFFFAOYSA-N 1 0 237.299 1.356 20 10 BDCDRO Oc1cc2c(cc1C[NH+]1CCCC1)[C@@H](O)CO2 ZINC000768437776 585538371 /nfs/dbraw/zinc/53/83/71/585538371.db2.gz GNZPHTSQAHFVRJ-LBPRGKRZSA-N 1 0 235.283 1.414 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)[C@@H]1CCOC1 ZINC000769332228 585553937 /nfs/dbraw/zinc/55/39/37/585553937.db2.gz ZCFGHWNWYNISSB-SNVBAGLBSA-N 1 0 237.299 1.622 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@](C)(O)C1 ZINC000769541442 585559002 /nfs/dbraw/zinc/55/90/02/585559002.db2.gz BFILHFLJJYUQEH-ZDUSSCGKSA-N 1 0 237.299 1.358 20 10 BDCDRO COC(=O)[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1C ZINC000770504565 585575309 /nfs/dbraw/zinc/57/53/09/585575309.db2.gz JJOJBSOLKFNQQY-JQWIXIFHSA-N 1 0 249.310 1.633 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CN1C ZINC000775987313 585688712 /nfs/dbraw/zinc/68/87/12/585688712.db2.gz VKSQXHBMKHJWEF-RYUDHWBXSA-N 1 0 234.343 1.917 20 10 BDCDRO Cc1cc(C[NH2+]Cc2cc(F)ccc2O)ncn1 ZINC000779101128 585745315 /nfs/dbraw/zinc/74/53/15/585745315.db2.gz LIJPUOPHFLWBDJ-UHFFFAOYSA-N 1 0 247.273 1.920 20 10 BDCDRO CC[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779217792 585747521 /nfs/dbraw/zinc/74/75/21/585747521.db2.gz BPIQVUNCEZLQAY-CYBMUJFWSA-N 1 0 239.290 1.878 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000783735432 585841138 /nfs/dbraw/zinc/84/11/38/585841138.db2.gz QEODIIAWHJBMJX-YGRLFVJLSA-N 1 0 249.310 1.215 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783734569 585841235 /nfs/dbraw/zinc/84/12/35/585841235.db2.gz MQUWQRGQFOJVPM-SMDDNHRTSA-N 1 0 249.310 1.215 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000785765154 585880123 /nfs/dbraw/zinc/88/01/23/585880123.db2.gz SLHXKDRMSNCWFD-BXUZGUMPSA-N 1 0 234.343 1.565 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788270951 585920077 /nfs/dbraw/zinc/92/00/77/585920077.db2.gz XPABBELVVIWMFU-GXSJLCMTSA-N 1 0 237.299 1.356 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)CCCCO ZINC000788268851 585920200 /nfs/dbraw/zinc/92/02/00/585920200.db2.gz LCCTUSTYAABZQM-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@](F)(CO)C2)c1O ZINC000802661477 586308600 /nfs/dbraw/zinc/30/86/00/586308600.db2.gz QMOUUZNNMQBOKO-CYBMUJFWSA-N 1 0 239.290 1.607 20 10 BDCDRO COc1cccc(C[N@H+](C)[C@H](C)CO)c1O ZINC000809745923 586516463 /nfs/dbraw/zinc/51/64/63/586516463.db2.gz NOSJZYNRDPJJKG-SECBINFHSA-N 1 0 225.288 1.213 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCC[S@](C)=O)c1 ZINC000116919771 589055601 /nfs/dbraw/zinc/05/56/01/589055601.db2.gz ZVEDHOMMCGHSBV-MRXNPFEDSA-N 1 0 241.356 1.559 20 10 BDCDRO C[S@](=O)CCC[NH2+]Cc1ccccc1O ZINC000116919998 589055715 /nfs/dbraw/zinc/05/57/15/589055715.db2.gz ZNNZLGYRWCQFHE-OAHLLOKOSA-N 1 0 227.329 1.250 20 10 BDCDRO CC1(C)[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000812778590 586583877 /nfs/dbraw/zinc/58/38/77/586583877.db2.gz MEBCEUMMSJZUFF-GFCCVEGCSA-N 1 0 239.290 1.877 20 10 BDCDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1ccccc1O ZINC000812778127 586583934 /nfs/dbraw/zinc/58/39/34/586583934.db2.gz CCSQXMAZSCDBIR-LBPRGKRZSA-N 1 0 221.300 1.737 20 10 BDCDRO Cc1cc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)ccc1N(C)C ZINC000815081054 586665782 /nfs/dbraw/zinc/66/57/82/586665782.db2.gz QOCRTPYXGBSYBA-DOMZBBRYSA-N 1 0 248.370 1.874 20 10 BDCDRO C[C@H]([NH2+]CCN)c1cc2c(cc1O)CCCC2 ZINC000817934062 586843485 /nfs/dbraw/zinc/84/34/85/586843485.db2.gz BEQBZTLEMOIZER-JTQLQIEISA-N 1 0 234.343 1.880 20 10 BDCDRO Oc1cccc2c1[C@H](N[C@@H]1CCC[NH2+]C1)CC2 ZINC000817941956 586845252 /nfs/dbraw/zinc/84/52/52/586845252.db2.gz USIHIAPPXGQHCV-VXGBXAGGSA-N 1 0 232.327 1.721 20 10 BDCDRO Oc1cccc2c1[C@@H](N[C@H]1CC[NH2+]C1)CC2 ZINC000817944609 586845875 /nfs/dbraw/zinc/84/58/75/586845875.db2.gz IAOHRXDULMPLMM-QWRGUYRKSA-N 1 0 218.300 1.331 20 10 BDCDRO COc1ccc(O)c([C@H](C)N[C@H]2CC[NH2+]C2)c1 ZINC000817944712 586845963 /nfs/dbraw/zinc/84/59/63/586845963.db2.gz KCWUSYLFTCGDRP-UWVGGRQHSA-N 1 0 236.315 1.413 20 10 BDCDRO Cc1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+]C2)c1 ZINC000817944781 586846475 /nfs/dbraw/zinc/84/64/75/586846475.db2.gz LRCLZLLCIOMEPU-WDEREUQCSA-N 1 0 220.316 1.713 20 10 BDCDRO CO[C@H](C)[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956320 586850618 /nfs/dbraw/zinc/85/06/18/586850618.db2.gz WJAPVKXGDPGUNU-GHMZBOCLSA-N 1 0 222.332 1.824 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817965931 586854769 /nfs/dbraw/zinc/85/47/69/586854769.db2.gz XCTLLZKVBKZMII-QPUJVOFHSA-N 1 0 238.306 1.919 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN)c1 ZINC000817970033 586856712 /nfs/dbraw/zinc/85/67/12/586856712.db2.gz JXHWLARLVXZPLP-DTWKUNHWSA-N 1 0 224.304 1.399 20 10 BDCDRO C[C@@H](C[NH3+])N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817970475 586858392 /nfs/dbraw/zinc/85/83/92/586858392.db2.gz WXTMJRLROFBMPS-QWRGUYRKSA-N 1 0 221.348 1.750 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819077706 586928780 /nfs/dbraw/zinc/92/87/80/586928780.db2.gz NLRAVTNNFRVQPY-CQSZACIVSA-N 1 0 236.359 1.922 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C/C=C\CO)cc1Cl ZINC000826942157 587366299 /nfs/dbraw/zinc/36/62/99/587366299.db2.gz NKEBLJKOPXRBIU-IHWYPQMZSA-N 1 0 241.718 1.992 20 10 BDCDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000827284725 587375308 /nfs/dbraw/zinc/37/53/08/587375308.db2.gz VWWDKNPTSINGSL-TZMCWYRMSA-N 1 0 233.311 1.861 20 10 BDCDRO [O-]c1c(F)cccc1C[N@@H+]1CCC2(COC2)C1 ZINC000827645790 587394173 /nfs/dbraw/zinc/39/41/73/587394173.db2.gz WPDFAADKNKJABD-UHFFFAOYSA-N 1 0 237.274 1.754 20 10 BDCDRO Cc1cccc(CN2CCc3nn[nH]c3C2)c1O ZINC000827885393 587407388 /nfs/dbraw/zinc/40/73/88/587407388.db2.gz ZVXIFXHOESUQHG-UHFFFAOYSA-N 1 0 244.298 1.377 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)C1(CO)CCC1 ZINC000827904042 587409614 /nfs/dbraw/zinc/40/96/14/587409614.db2.gz UKKLRDWJAJBVBY-UHFFFAOYSA-N 1 0 239.290 1.878 20 10 BDCDRO C[C@H](NC(=O)C[NH+](C)C)c1ccccc1O ZINC000827978187 587414471 /nfs/dbraw/zinc/41/44/71/587414471.db2.gz KCSWUTPAISXBCW-VIFPVBQESA-N 1 0 222.288 1.131 20 10 BDCDRO C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(N)cc1 ZINC000832243987 587652172 /nfs/dbraw/zinc/65/21/72/587652172.db2.gz CRQIOLQTTDZFAQ-MRVPVSSYSA-N 1 0 219.288 1.348 20 10 BDCDRO C[C@@H]1[C@H](C(=O)Nc2ccc(N)cc2)CC[N@@H+]1C ZINC000832250024 587652199 /nfs/dbraw/zinc/65/21/99/587652199.db2.gz JOTUGKSRBHFJFH-BXKDBHETSA-N 1 0 233.315 1.548 20 10 BDCDRO Nc1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000832244756 587652338 /nfs/dbraw/zinc/65/23/38/587652338.db2.gz UNONMBKINJNWMS-UHFFFAOYSA-N 1 0 219.288 1.479 20 10 BDCDRO CCC[N@H+](C)CC(=O)NCCc1ccc(N)cc1 ZINC000832658872 587674484 /nfs/dbraw/zinc/67/44/84/587674484.db2.gz FCBQIEIMAZBCHN-UHFFFAOYSA-N 1 0 249.358 1.269 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1O ZINC000834907311 587770223 /nfs/dbraw/zinc/77/02/23/587770223.db2.gz NOPLOJVVWPJVHD-GARJFASQSA-N 1 0 248.326 1.697 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCO)cc1 ZINC000835033909 587779412 /nfs/dbraw/zinc/77/94/12/587779412.db2.gz LGOXXAOWHVLGGV-HYXAFXHYSA-N 1 0 234.343 1.738 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000840824849 587923806 /nfs/dbraw/zinc/92/38/06/587923806.db2.gz QFSQDXWWDBEWHG-XHVZSJERSA-N 1 0 237.299 1.457 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](CO)C1 ZINC000840913557 587929757 /nfs/dbraw/zinc/92/97/57/587929757.db2.gz XSPNLACPAQNEEP-ZDUSSCGKSA-N 1 0 248.370 1.875 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+][C@@H](C)C1 ZINC000840908964 587929829 /nfs/dbraw/zinc/92/98/29/587929829.db2.gz ZLNGSKWBLIMDJK-ZDUSSCGKSA-N 1 0 247.386 1.855 20 10 BDCDRO Cc1n[nH]cc1C[NH2+]CCc1ccc(N)cc1 ZINC000841034423 587937261 /nfs/dbraw/zinc/93/72/61/587937261.db2.gz AQEJRYOVFBYRLW-UHFFFAOYSA-N 1 0 230.315 1.633 20 10 BDCDRO CCC[NH2+]CCNCc1cccc(OC)c1O ZINC000841046612 587938997 /nfs/dbraw/zinc/93/89/97/587938997.db2.gz JIPHYEAEAJZYNN-UHFFFAOYSA-N 1 0 238.331 1.490 20 10 BDCDRO Oc1cccc(Cl)c1CN[C@H]1CC[NH2+]C1 ZINC000841044805 587939472 /nfs/dbraw/zinc/93/94/72/587939472.db2.gz INKGFHOXZKRBPV-QMMMGPOBSA-N 1 0 226.707 1.497 20 10 BDCDRO [NH3+][C@@H](C[NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000841048559 587940246 /nfs/dbraw/zinc/94/02/46/587940246.db2.gz FDFREPAAMTYVFJ-NSHDSACASA-N 1 0 224.279 1.358 20 10 BDCDRO CC[C@@H]([NH3+])C[NH2+]Cc1cccc(C)c1O ZINC000841071341 587943244 /nfs/dbraw/zinc/94/32/44/587943244.db2.gz DJHNWRUUFDPJJT-LLVKDONJSA-N 1 0 208.305 1.528 20 10 BDCDRO Cc1ccc(O)c(CN[C@H](CC[NH3+])C(F)F)c1 ZINC000841074328 587943973 /nfs/dbraw/zinc/94/39/73/587943973.db2.gz NUSNUHZRUUMQQD-SNVBAGLBSA-N 1 0 244.285 1.773 20 10 BDCDRO CC1(C)[NH2+]CC[C@H]1NCc1cc(F)ccc1O ZINC000841086077 587946076 /nfs/dbraw/zinc/94/60/76/587946076.db2.gz LTIUWEVYQAPQQJ-GFCCVEGCSA-N 1 0 238.306 1.761 20 10 BDCDRO Oc1ccccc1CN1CC[C@@]2(CCC[NH2+]2)C1 ZINC000841105312 587946789 /nfs/dbraw/zinc/94/67/89/587946789.db2.gz KFFISEFLZSBNEY-AWEZNQCLSA-N 1 0 232.327 1.720 20 10 BDCDRO Cc1cc(O)c(CN(C)[C@@H]2CC[NH2+]C2)cc1C ZINC000843049586 588076754 /nfs/dbraw/zinc/07/67/54/588076754.db2.gz RQOVUHLAWGIXCM-CYBMUJFWSA-N 1 0 234.343 1.803 20 10 BDCDRO Cc1cccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1O ZINC000843049755 588076898 /nfs/dbraw/zinc/07/68/98/588076898.db2.gz VPZGBYUJKJGTEB-VXGBXAGGSA-N 1 0 234.343 1.883 20 10 BDCDRO C[NH2+]CCN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000843057719 588077517 /nfs/dbraw/zinc/07/75/17/588077517.db2.gz RZMBTWLAYHZDTD-UHFFFAOYSA-N 1 0 239.338 1.543 20 10 BDCDRO C[C@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843116306 588082665 /nfs/dbraw/zinc/08/26/65/588082665.db2.gz KIPXASARFMCLMW-CYBMUJFWSA-N 1 0 238.306 1.702 20 10 BDCDRO CC(C)([NH3+])CCC(=O)NCCc1ccc(N)cc1 ZINC000843343149 588101293 /nfs/dbraw/zinc/10/12/93/588101293.db2.gz ULEWGRZUCUDPON-UHFFFAOYSA-N 1 0 249.358 1.445 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](CO)CCF)c1 ZINC000846101194 588256731 /nfs/dbraw/zinc/25/67/31/588256731.db2.gz RAJOMMPDFMHSCT-SNVBAGLBSA-N 1 0 243.278 1.211 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CO)c1O ZINC000846148188 588258763 /nfs/dbraw/zinc/25/87/63/588258763.db2.gz OZECMJFTQYRFQV-DTWKUNHWSA-N 1 0 225.288 1.432 20 10 BDCDRO C[C@H]([NH2+][C@H](CO)CCF)c1cc(F)ccc1O ZINC000846208312 588260044 /nfs/dbraw/zinc/26/00/44/588260044.db2.gz IGFCZLBSEFVSLV-WPRPVWTQSA-N 1 0 245.269 1.902 20 10 BDCDRO Cc1ccc(O)c(CN[C@H](C[NH3+])C(F)(F)F)c1 ZINC000848715552 588407890 /nfs/dbraw/zinc/40/78/90/588407890.db2.gz DULXKSXVFKNOAT-SNVBAGLBSA-N 1 0 248.248 1.680 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000848904826 588418269 /nfs/dbraw/zinc/41/82/69/588418269.db2.gz BRRWKBQBVHTEFD-DZGCQCFKSA-N 1 0 247.338 1.769 20 10 BDCDRO CCc1cccc(C[N@H+](C)C[C@H](C)O)c1O ZINC000848902968 588418475 /nfs/dbraw/zinc/41/84/75/588418475.db2.gz VWKULVCQGJIOBM-JTQLQIEISA-N 1 0 223.316 1.767 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000848905979 588418825 /nfs/dbraw/zinc/41/88/25/588418825.db2.gz OTRSUNDXEVTQFS-MFKMUULPSA-N 1 0 235.327 1.910 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000848904827 588418971 /nfs/dbraw/zinc/41/89/71/588418971.db2.gz BRRWKBQBVHTEFD-HIFRSBDPSA-N 1 0 247.338 1.769 20 10 BDCDRO CC[C@@H](COC)[NH2+]Cc1c(O)cccc1OC ZINC000850151004 588521660 /nfs/dbraw/zinc/52/16/60/588521660.db2.gz QECKFCAABPUUKO-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C/C=C/CO)cc1F ZINC000850357210 588538566 /nfs/dbraw/zinc/53/85/66/588538566.db2.gz BBVJNSODNRTLCL-ONEGZZNKSA-N 1 0 238.306 1.530 20 10 BDCDRO CC[C@H](C(=O)NCCc1ccc(N)cc1)[NH+](C)C ZINC000863585376 589302423 /nfs/dbraw/zinc/30/24/23/589302423.db2.gz XCNSPBIBKQLJNK-CYBMUJFWSA-N 1 0 249.358 1.268 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN(C)C[C@@H](C)[NH3+] ZINC000863652771 589307543 /nfs/dbraw/zinc/30/75/43/589307543.db2.gz WZCQZQPXAGDPGT-GFCCVEGCSA-N 1 0 235.375 1.840 20 10 BDCDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1O ZINC000864454070 589365942 /nfs/dbraw/zinc/36/59/42/589365942.db2.gz STLFRFMULZNUIT-WPRPVWTQSA-N 1 0 219.288 1.415 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000870988350 589707072 /nfs/dbraw/zinc/70/70/72/589707072.db2.gz NIQIDXGYTLARFN-GHMZBOCLSA-N 1 0 248.326 1.569 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[C@H]([NH3+])C1CC1 ZINC000123859664 589830778 /nfs/dbraw/zinc/83/07/78/589830778.db2.gz HQYYEGYORJWPDJ-LBPRGKRZSA-N 1 0 248.326 1.478 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC000872265839 589902965 /nfs/dbraw/zinc/90/29/65/589902965.db2.gz MJIOLOQDBJGKHZ-BETUJISGSA-N 1 0 233.311 1.779 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2COCCO2)c1O ZINC000124719458 590076358 /nfs/dbraw/zinc/07/63/58/590076358.db2.gz NWYFNYOQBQJJML-LBPRGKRZSA-N 1 0 237.299 1.206 20 10 BDCDRO Cc1cccc(C[NH2+]CCn2cccn2)c1O ZINC000124725984 590079637 /nfs/dbraw/zinc/07/96/37/590079637.db2.gz LYDCBXAWBCZRGT-UHFFFAOYSA-N 1 0 231.299 1.687 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCCNC(=O)C2)c(O)c1 ZINC000876639595 590224902 /nfs/dbraw/zinc/22/49/02/590224902.db2.gz HUAHLQGPNFHGDH-UHFFFAOYSA-N 1 0 234.299 1.023 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC000876660526 590227362 /nfs/dbraw/zinc/22/73/62/590227362.db2.gz UVSHJKDLXDFSOZ-LLVKDONJSA-N 1 0 221.300 1.515 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCNC2=O)c(O)c1 ZINC000876814218 590245224 /nfs/dbraw/zinc/24/52/24/590245224.db2.gz DOJXMDZCHUAEQX-NSHDSACASA-N 1 0 234.299 1.021 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H]1O ZINC000876814350 590246155 /nfs/dbraw/zinc/24/61/55/590246155.db2.gz DZQCRRINBWYFHW-BXUZGUMPSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCC(=O)N(C)C ZINC000876989905 590265566 /nfs/dbraw/zinc/26/55/66/590265566.db2.gz JZZMNGBGILMMJE-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1ccc(C[NH2+]CCCn2cncn2)c(O)c1 ZINC000877012046 590268747 /nfs/dbraw/zinc/26/87/47/590268747.db2.gz NWMMMLIYJPIPHF-UHFFFAOYSA-N 1 0 246.314 1.472 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877054947 590275233 /nfs/dbraw/zinc/27/52/33/590275233.db2.gz LWMYHYBLRGJRSZ-LBPRGKRZSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)CO)c(O)c1 ZINC000877057453 590275788 /nfs/dbraw/zinc/27/57/88/590275788.db2.gz FCUHILBRTHWRCN-QWRGUYRKSA-N 1 0 223.316 1.807 20 10 BDCDRO C[C@@H](C(=O)N(C)c1ccc(N)cc1)[C@H](C)[NH3+] ZINC000877077531 590279071 /nfs/dbraw/zinc/27/90/71/590279071.db2.gz LYEBGIHDDOVAMO-BDAKNGLRSA-N 1 0 221.304 1.215 20 10 BDCDRO CN(C(=O)[C@H]1[NH2+]CC1(C)C)c1ccc(N)cc1 ZINC000877077623 590279371 /nfs/dbraw/zinc/27/93/71/590279371.db2.gz OZHRDYWUQSXPSH-LLVKDONJSA-N 1 0 233.315 1.230 20 10 BDCDRO C[NH2+]CCCC(=O)N(C)c1ccc(N)cc1 ZINC000877079017 590279504 /nfs/dbraw/zinc/27/95/04/590279504.db2.gz NVOFRRZHMFEWCZ-UHFFFAOYSA-N 1 0 221.304 1.231 20 10 BDCDRO Cc1ccc(C[NH2+][C@@]2(C)CCOC2)c(O)c1 ZINC000877121186 590288889 /nfs/dbraw/zinc/28/88/89/590288889.db2.gz PXYIFXMJMUZTGI-ZDUSSCGKSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c(O)c1 ZINC000877183261 590297901 /nfs/dbraw/zinc/29/79/01/590297901.db2.gz BECMAKMANVUXGM-NWDGAFQWSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c(O)c1 ZINC000877183260 590297966 /nfs/dbraw/zinc/29/79/66/590297966.db2.gz BECMAKMANVUXGM-NEPJUHHUSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1n[nH]c(CC[NH2+]Cc2c(C)cccc2O)n1 ZINC000877180198 590298230 /nfs/dbraw/zinc/29/82/30/590298230.db2.gz QGVXDARYDMLQLU-UHFFFAOYSA-N 1 0 246.314 1.459 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000877430384 590325428 /nfs/dbraw/zinc/32/54/28/590325428.db2.gz HHFMRSIEBWHOAI-OLZOCXBDSA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c(O)c1 ZINC000877434746 590326865 /nfs/dbraw/zinc/32/68/65/590326865.db2.gz TZKCBRDXGPDEQK-DGCLKSJQSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c(O)c1 ZINC000877434748 590327317 /nfs/dbraw/zinc/32/73/17/590327317.db2.gz TZKCBRDXGPDEQK-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000877433986 590327351 /nfs/dbraw/zinc/32/73/51/590327351.db2.gz LCLVUBDQFLSKHU-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[N@H+](C)CCCCO)c(O)c1 ZINC000877471763 590335359 /nfs/dbraw/zinc/33/53/59/590335359.db2.gz ZTOMECZLEMMWHG-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO Cc1ccc(CN2CCn3cncc3C2)c(O)c1 ZINC000877540032 590351036 /nfs/dbraw/zinc/35/10/36/590351036.db2.gz XOTCSTJQYIRITA-UHFFFAOYSA-N 1 0 243.310 1.913 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2cncn2C)c(O)c1 ZINC000877539195 590351055 /nfs/dbraw/zinc/35/10/55/590351055.db2.gz LAIQVLAMZAXJRR-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)c(O)c1 ZINC000877547292 590352926 /nfs/dbraw/zinc/35/29/26/590352926.db2.gz SIWYJZDPLAGJLY-OCCSQVGLSA-N 1 0 246.354 1.837 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC2(C1)CCOC2 ZINC000877554843 590356905 /nfs/dbraw/zinc/35/69/05/590356905.db2.gz OXRXPACFFSZREG-UHFFFAOYSA-N 1 0 233.311 1.923 20 10 BDCDRO CC[C@@H]([NH2+]Cc1c(C)cccc1O)C(=O)NC ZINC000877575673 590363828 /nfs/dbraw/zinc/36/38/28/590363828.db2.gz BALJAZZENQENEN-LLVKDONJSA-N 1 0 236.315 1.315 20 10 BDCDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc(C)cc1O ZINC000877616515 590374790 /nfs/dbraw/zinc/37/47/90/590374790.db2.gz CRSUFKCAYPMCPU-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)c(O)c1 ZINC000877633463 590379138 /nfs/dbraw/zinc/37/91/38/590379138.db2.gz MBNLFCOISSFJQW-NSHDSACASA-N 1 0 234.299 1.069 20 10 BDCDRO CC(=O)[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648892 590842327 /nfs/dbraw/zinc/84/23/27/590842327.db2.gz FHGUFFBAWZWCBM-RNCFNFMXSA-N 1 0 237.299 1.383 20 10 BDCDRO CCNC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000135719760 592033534 /nfs/dbraw/zinc/03/35/34/592033534.db2.gz YDHYUKLZLLBUBD-JTQLQIEISA-N 1 0 236.315 1.569 20 10 BDCDRO C[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000084942849 631455523 /nfs/dbraw/zinc/45/55/23/631455523.db2.gz OYQWNBZSFZTHQY-LBPRGKRZSA-N 1 0 233.359 1.546 20 10 BDCDRO Nc1ccc(CC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000051694804 631869237 /nfs/dbraw/zinc/86/92/37/631869237.db2.gz PFFGYMKJOTXCFN-UHFFFAOYSA-N 1 0 247.342 1.197 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCCO1 ZINC000725841687 632765171 /nfs/dbraw/zinc/76/51/71/632765171.db2.gz UXZFHNPANNSFDD-JTQLQIEISA-N 1 0 237.299 1.669 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)[C@@H](C)CO)c1O ZINC000162671641 633035437 /nfs/dbraw/zinc/03/54/37/633035437.db2.gz KBECCLUOTJTVEC-WDEREUQCSA-N 1 0 223.316 1.807 20 10 BDCDRO COc1cc(C)cc(C[NH2+]CC[C@H](C)O)c1O ZINC000894562140 635909578 /nfs/dbraw/zinc/90/95/78/635909578.db2.gz ATQOHEDIGKWCCS-JTQLQIEISA-N 1 0 239.315 1.570 20 10 BDCDRO C[C@@H]1NC(=O)[C@H](C)[N@H+](Cc2ccccc2O)[C@H]1C ZINC000895117519 636064800 /nfs/dbraw/zinc/06/48/00/636064800.db2.gz VQQCMSYZAWLOIH-DCAQKATOSA-N 1 0 248.326 1.490 20 10 BDCDRO C[C@@]1(C[NH2+]Cc2ccccc2O)CCOC1 ZINC000309824823 633786339 /nfs/dbraw/zinc/78/63/39/633786339.db2.gz XCXHKFQJVGZECH-ZDUSSCGKSA-N 1 0 221.300 1.908 20 10 BDCDRO C[C@]1(C[NH2+]Cc2ccccc2O)CCOC1 ZINC000309824821 633786376 /nfs/dbraw/zinc/78/63/76/633786376.db2.gz XCXHKFQJVGZECH-CYBMUJFWSA-N 1 0 221.300 1.908 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](C)O ZINC000309956557 634052681 /nfs/dbraw/zinc/05/26/81/634052681.db2.gz IPIMTQCXEMDFHY-MNOVXSKESA-N 1 0 222.332 1.612 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCOC2)c1O ZINC000162872115 635144943 /nfs/dbraw/zinc/14/49/43/635144943.db2.gz IRMUPONZZVJBKU-LLVKDONJSA-N 1 0 207.273 1.579 20 10 BDCDRO C[C@@H]([NH3+])CCC(=O)NCc1ccccc1O ZINC000162971304 635277714 /nfs/dbraw/zinc/27/77/14/635277714.db2.gz IVQVOEWRJDVDRC-SECBINFHSA-N 1 0 222.288 1.136 20 10 BDCDRO CN(CC[NH3+])Cc1cc(Cl)ccc1O ZINC000054416790 636636694 /nfs/dbraw/zinc/63/66/94/636636694.db2.gz ZEEMAHYOKCHQSJ-UHFFFAOYSA-N 1 0 214.696 1.436 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]2O)cc1 ZINC000323157999 636903541 /nfs/dbraw/zinc/90/35/41/636903541.db2.gz HTGXDNJJPPVZQT-ZIAGYGMSSA-N 1 0 234.343 1.756 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[C@H]1CCC[NH2+]1 ZINC000042170062 637078523 /nfs/dbraw/zinc/07/85/23/637078523.db2.gz MALLYQMNNUCPJT-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c(O)c1 ZINC000323592505 637092430 /nfs/dbraw/zinc/09/24/30/637092430.db2.gz XNSYNCIFKLTXEW-NDMJEZRESA-N 1 0 237.299 1.111 20 10 BDCDRO [NH3+]C1(CNCc2c(O)cccc2Cl)CC1 ZINC000904449882 637414766 /nfs/dbraw/zinc/41/47/66/637414766.db2.gz MMOVWTDOHQDACO-UHFFFAOYSA-N 1 0 226.707 1.627 20 10 BDCDRO Cc1cc(O)c(CNCC2([NH3+])CC2)c(Cl)c1 ZINC000904445586 637415182 /nfs/dbraw/zinc/41/51/82/637415182.db2.gz XIFMKYFSJXZTBX-UHFFFAOYSA-N 1 0 240.734 1.935 20 10 BDCDRO Cc1cccc(C[NH2+]CCCON)c1O ZINC000904457784 637418615 /nfs/dbraw/zinc/41/86/15/637418615.db2.gz SHQJYIVTNMUUGE-UHFFFAOYSA-N 1 0 210.277 1.071 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CCCON)c(Cl)c1 ZINC000904458359 637421144 /nfs/dbraw/zinc/42/11/44/637421144.db2.gz XJZPXMFBAOOQNU-UHFFFAOYSA-N 1 0 244.722 1.724 20 10 BDCDRO CC(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000167879192 640759677 /nfs/dbraw/zinc/75/96/77/640759677.db2.gz MASLDVGJXUUWIF-JTQLQIEISA-N 1 0 236.315 1.395 20 10 BDCDRO C[S@](=O)CCC[NH2+]Cc1cc(F)ccc1O ZINC000226610844 640779380 /nfs/dbraw/zinc/77/93/80/640779380.db2.gz QENBEQZXFQCHPN-INIZCTEOSA-N 1 0 245.319 1.390 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1ccccc1O ZINC000087783051 641036973 /nfs/dbraw/zinc/03/69/73/641036973.db2.gz SJLIJQFCALURPS-NXEZZACHSA-N 1 0 207.273 1.832 20 10 BDCDRO Cn1ccc(CC[NH2+]Cc2ccccc2O)n1 ZINC000230880441 641109274 /nfs/dbraw/zinc/10/92/74/641109274.db2.gz POGQVHCOTZDSPJ-UHFFFAOYSA-N 1 0 231.299 1.458 20 10 BDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H](C)C(N)=O ZINC000174372646 641273015 /nfs/dbraw/zinc/27/30/15/641273015.db2.gz SDGUSFQNGNJLMU-JTQLQIEISA-N 1 0 236.315 1.478 20 10 BDCDRO C[C@H]([NH3+])CC(=O)NCc1ccc(N(C)C)cc1 ZINC000040825889 641537796 /nfs/dbraw/zinc/53/77/96/641537796.db2.gz BLWIQSJHXUQOLU-JTQLQIEISA-N 1 0 235.331 1.106 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCn2ccnc2)cc1 ZINC000041063260 641540861 /nfs/dbraw/zinc/54/08/61/641540861.db2.gz RFOSBOZCONOITI-UHFFFAOYSA-N 1 0 244.342 1.739 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1COC[C@@H]1C1CC1 ZINC000914433009 641702305 /nfs/dbraw/zinc/70/23/05/641702305.db2.gz IZYFJCKAVVQUOW-CHWSQXEVSA-N 1 0 233.311 1.907 20 10 BDCDRO CC(=O)OC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179576056 642731166 /nfs/dbraw/zinc/73/11/66/642731166.db2.gz LIDMDNIEUVJATH-UHFFFAOYSA-N 1 0 249.310 1.920 20 10 BDCDRO Cc1cccc(C[NH2+]CC2(CO)CCC2)c1O ZINC000183232756 643098418 /nfs/dbraw/zinc/09/84/18/643098418.db2.gz BZBFLJGEHLOTKX-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cnn(C)c2)c1 ZINC000071408314 643143061 /nfs/dbraw/zinc/14/30/61/643143061.db2.gz RLGAIUUJYOGTTP-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1O ZINC000824637836 645057251 /nfs/dbraw/zinc/05/72/51/645057251.db2.gz ZYVTXMJWVWEXKQ-CHWSQXEVSA-N 1 0 235.327 1.985 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+]C2(CO)CC2)cc1 ZINC000835045083 645163737 /nfs/dbraw/zinc/16/37/37/645163737.db2.gz RVSMAAMRGMSINE-ONEGZZNKSA-N 1 0 246.354 1.880 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)CCF)cc1C ZINC000846096054 645402538 /nfs/dbraw/zinc/40/25/38/645402538.db2.gz FAPVSRNBRDNVFC-GFCCVEGCSA-N 1 0 241.306 1.819 20 10 BDCDRO CO[C@@](C)(CO)C[NH2+]Cc1cccc(C)c1O ZINC000702514601 712054169 /nfs/dbraw/zinc/05/41/69/712054169.db2.gz QXMWLQFTZAVWQX-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCCCO ZINC000381557359 710654725 /nfs/dbraw/zinc/65/47/25/710654725.db2.gz PNHOCISHCHMGKO-UHFFFAOYSA-N 1 0 225.288 1.263 20 10 BDCDRO CN(C)c1ccc(CN(C)C(=O)[C@H]2CC[NH2+]2)cc1 ZINC000384828333 710998823 /nfs/dbraw/zinc/99/88/23/710998823.db2.gz YZMSMCNIHXIMKU-CYBMUJFWSA-N 1 0 247.342 1.073 20 10 BDCDRO COCC(COC)[NH2+][C@@H](C)c1ccccc1O ZINC000388444261 711061032 /nfs/dbraw/zinc/06/10/32/711061032.db2.gz URZVLQJXSNRQHY-JTQLQIEISA-N 1 0 239.315 1.704 20 10 BDCDRO COC[C@H]([NH2+]CCc1ccc(N)cc1)C1CC1 ZINC000398029819 711399684 /nfs/dbraw/zinc/39/96/84/711399684.db2.gz NANNEEPTYSHZII-AWEZNQCLSA-N 1 0 234.343 1.826 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@](C)(O)C2CC2)c1O ZINC000383612950 710985061 /nfs/dbraw/zinc/98/50/61/710985061.db2.gz SYXXJPIKQFZEQV-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000399000017 711742704 /nfs/dbraw/zinc/74/27/04/711742704.db2.gz BPPGBQOCPDANQL-GXTWGEPZSA-N 1 0 247.386 1.983 20 10 BDCDRO CO[C@@](C)(CO)C[NH2+][C@H](C)c1ccccc1O ZINC000702513507 712054249 /nfs/dbraw/zinc/05/42/49/712054249.db2.gz HVTGDXRGRZUGOZ-ZWNOBZJWSA-N 1 0 239.315 1.440 20 10 BDCDRO Cc1cccc(C[NH2+]CCOCCF)c1O ZINC000702655333 712058698 /nfs/dbraw/zinc/05/86/98/712058698.db2.gz WHRXGYDOBJXJNY-UHFFFAOYSA-N 1 0 227.279 1.776 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000707527928 712171951 /nfs/dbraw/zinc/17/19/51/712171951.db2.gz FGFMMKMJCVQKKO-JGZJWPJOSA-N 1 0 237.299 1.261 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000707632406 712176185 /nfs/dbraw/zinc/17/61/85/712176185.db2.gz MVLNDKLCDFILMR-KLPPZKSPSA-N 1 0 221.300 1.561 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccccc1O ZINC000707764254 712177841 /nfs/dbraw/zinc/17/78/41/712177841.db2.gz ZUKHDPDGGBZLLL-PWSUYJOCSA-N 1 0 248.326 1.664 20 10 BDCDRO CCN1CC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000712583748 712434217 /nfs/dbraw/zinc/43/42/17/712434217.db2.gz VQEXZCKVBMYMJS-LBPRGKRZSA-N 1 0 238.306 1.715 20 10 BDCDRO [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccccc2O)C1 ZINC000713049728 712452077 /nfs/dbraw/zinc/45/20/77/712452077.db2.gz CDMGUUFJOVWJMU-MISXGVKJSA-N 1 0 246.310 1.136 20 10 BDCDRO CCC[N@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000037097847 712539059 /nfs/dbraw/zinc/53/90/59/712539059.db2.gz XKPWNIYLSCBANK-UHFFFAOYSA-N 1 0 221.304 1.549 20 10 BDCDRO C[C@H]([NH2+]C/C=C\CO)c1ccccc1O ZINC000717533038 712660500 /nfs/dbraw/zinc/66/05/00/712660500.db2.gz MAJPWVZJDWTZEC-LWTINBJPSA-N 1 0 207.273 1.591 20 10 BDCDRO COc1ccc(O)c([C@@H](C)NCC[NH3+])c1 ZINC000037712457 712744603 /nfs/dbraw/zinc/74/46/03/712744603.db2.gz FHIYHFGNJWNNRJ-MRVPVSSYSA-N 1 0 210.277 1.010 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(F)ccc1O ZINC000720908040 712877553 /nfs/dbraw/zinc/87/75/53/712877553.db2.gz TVRWWJFQSJCONN-ATZCPNFKSA-N 1 0 239.290 1.953 20 10 BDCDRO COc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1C ZINC000720993358 712886331 /nfs/dbraw/zinc/88/63/31/712886331.db2.gz DLBMJNPUUCTAPF-BETUJISGSA-N 1 0 235.327 1.864 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)C(=O)NC ZINC000697915087 964676955 /nfs/dbraw/zinc/67/69/55/964676955.db2.gz GJZZCMKIMGAHAZ-LLVKDONJSA-N 1 0 236.315 1.315 20 10 BDCDRO CC(C)C[C@H](CN)[NH2+]Cc1ccc(N)cc1 ZINC001334754243 976622783 /nfs/dbraw/zinc/62/27/83/976622783.db2.gz MSOWUDXMPLRXJC-CYBMUJFWSA-N 1 0 221.348 1.732 20 10 BDCDRO CC(C)[N@H+](CCCO)Cc1ccc(O)cc1O ZINC001204275675 978919634 /nfs/dbraw/zinc/91/96/34/978919634.db2.gz YCVQCSSAQCDNNX-UHFFFAOYSA-N 1 0 239.315 1.691 20 10 BDCDRO COc1cc(C)c(C[N@H+](C)CCO)c(O)c1 ZINC001236257286 979477717 /nfs/dbraw/zinc/47/77/17/979477717.db2.gz YZKGPDDXUFDQSI-UHFFFAOYSA-N 1 0 225.288 1.133 20 10 BDCDRO CN(C)c1ccc(CN2CC[NH2+]C2)c(Cl)c1 ZINC001236844908 979757894 /nfs/dbraw/zinc/75/78/94/979757894.db2.gz XCRIVCSUXHHPLZ-UHFFFAOYSA-N 1 0 239.750 1.769 20 10 BDCDRO Cc1cc(F)cc(C[NH+]2CCC(O)CC2)c1O ZINC001238055618 980133833 /nfs/dbraw/zinc/13/38/33/980133833.db2.gz APXLJMBBCXBOEO-UHFFFAOYSA-N 1 0 239.290 1.796 20 10 BDCDRO Oc1cc(O)c(CC[NH2+]C2CCCC2)cc1O ZINC001257342503 971250806 /nfs/dbraw/zinc/25/08/06/971250806.db2.gz FSKFDVRRYQYHBJ-UHFFFAOYSA-N 1 0 237.299 1.878 20 10 BDCDRO C[C@H]1CC[C@H](OCc2ccc(N)cc2)C[NH2+]1 ZINC001217912662 971513091 /nfs/dbraw/zinc/51/30/91/971513091.db2.gz VGPVMTATZIMNHL-GWCFXTLKSA-N 1 0 220.316 1.926 20 10 BDCDRO Nc1ccc(O[C@H]2C[NH2+]CC[C@H]2F)cc1 ZINC001218319656 971707983 /nfs/dbraw/zinc/70/79/83/971707983.db2.gz VMVSCXUXDDQHBY-MNOVXSKESA-N 1 0 210.252 1.348 20 10 BDCDRO C[C@H]1CC[C@@H](Oc2ccc(N)cc2)C[NH2+]1 ZINC001218396047 971773669 /nfs/dbraw/zinc/77/36/69/971773669.db2.gz ZIPOTNCMKSHPPD-JOYOIKCWSA-N 1 0 206.289 1.788 20 10 BDCDRO Nc1ccc(O[C@@H]2C[NH2+]CCC23CC3)cc1 ZINC001218399381 971776682 /nfs/dbraw/zinc/77/66/82/971776682.db2.gz NNKIZNICYWDMRK-GFCCVEGCSA-N 1 0 218.300 1.790 20 10 BDCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1ccccc1N ZINC001218883470 971957994 /nfs/dbraw/zinc/95/79/94/971957994.db2.gz SALQUEIVVQMSPM-UHFFFAOYSA-N 1 0 245.326 1.541 20 10 BDCDRO CCc1ccc(C[NH+]2CC3(CCN3C)C2)c(O)c1 ZINC001276804585 972012817 /nfs/dbraw/zinc/01/28/17/972012817.db2.gz HYKXDOYOYJOZQO-UHFFFAOYSA-N 1 0 246.354 1.845 20 10 BDCDRO [NH3+][C@H]1CC=C(C(=O)NCc2ccccc2O)C1 ZINC000695750997 960423457 /nfs/dbraw/zinc/42/34/57/960423457.db2.gz BBHOGQCXNARDKE-NSHDSACASA-N 1 0 232.283 1.056 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC3(C2)CCOC3)c1 ZINC001140617335 960459789 /nfs/dbraw/zinc/45/97/89/960459789.db2.gz NTHNYAZWUKZWIS-UHFFFAOYSA-N 1 0 233.311 1.923 20 10 BDCDRO COC(C[N@H+](C)Cc1cc(C)ccc1O)OC ZINC001140623601 960466924 /nfs/dbraw/zinc/46/69/24/960466924.db2.gz XUCFLIIKJZKZRL-UHFFFAOYSA-N 1 0 239.315 1.751 20 10 BDCDRO CO[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1F ZINC001140947847 960744868 /nfs/dbraw/zinc/74/48/68/960744868.db2.gz IIMXCEOSTLEVGD-AAEUAGOBSA-N 1 0 239.290 1.869 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c(O)c1 ZINC001140950912 960763946 /nfs/dbraw/zinc/76/39/46/960763946.db2.gz ORZHUYCIAYCUFR-GXTWGEPZSA-N 1 0 246.354 1.837 20 10 BDCDRO COc1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC000092456043 960807063 /nfs/dbraw/zinc/80/70/63/960807063.db2.gz FVNGCKULDKGXFS-NSHDSACASA-N 1 0 237.299 1.358 20 10 BDCDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000722280514 960871827 /nfs/dbraw/zinc/87/18/27/960871827.db2.gz YESPKGIDYSXZQW-DOMZBBRYSA-N 1 0 247.386 1.792 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001141155974 960890549 /nfs/dbraw/zinc/89/05/49/960890549.db2.gz CMTIXXJBKCEYMY-DGCLKSJQSA-N 1 0 235.283 1.461 20 10 BDCDRO OC[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155710 960892128 /nfs/dbraw/zinc/89/21/28/960892128.db2.gz GEVMXGHJXHPLHR-JTQLQIEISA-N 1 0 237.299 1.302 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155940 960892518 /nfs/dbraw/zinc/89/25/18/960892518.db2.gz BDUKSUMRYVBYLB-LLVKDONJSA-N 1 0 223.272 1.319 20 10 BDCDRO CC1(O)CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156726 960892976 /nfs/dbraw/zinc/89/29/76/960892976.db2.gz SEZALNBXTKBTAP-UHFFFAOYSA-N 1 0 237.299 1.445 20 10 BDCDRO CN(C(=O)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(N)cc1 ZINC001342239428 961009417 /nfs/dbraw/zinc/00/94/17/961009417.db2.gz MNDWOHXEHWDKIZ-FRRDWIJNSA-N 1 0 245.326 1.087 20 10 BDCDRO C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001157809647 963734099 /nfs/dbraw/zinc/73/40/99/963734099.db2.gz CTCCYTARBQPTGT-MFKMUULPSA-N 1 0 247.342 1.007 20 10 BDCDRO CNc1ccccc1N[C@H]1COCCC12C[NH2+]C2 ZINC001163080518 965254996 /nfs/dbraw/zinc/25/49/96/965254996.db2.gz HFHUREULKYCJLW-ZDUSSCGKSA-N 1 0 247.342 1.519 20 10 BDCDRO CO/C=C/c1ccc(N(CC[NH3+])CCO)cc1 ZINC001163836635 965606180 /nfs/dbraw/zinc/60/61/80/965606180.db2.gz XTHKBRNLCFOEKQ-IZZDOVSWSA-N 1 0 236.315 1.061 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997621 966224399 /nfs/dbraw/zinc/22/43/99/966224399.db2.gz WNXFZBNAQDGVKN-OCCSQVGLSA-N 1 0 232.327 1.624 20 10 BDCDRO Cc1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236025878 966243725 /nfs/dbraw/zinc/24/37/25/966243725.db2.gz MQLAZCUNHDMXJT-DGCLKSJQSA-N 1 0 218.300 1.234 20 10 BDCDRO Nc1ccc(CC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000238115699 966440648 /nfs/dbraw/zinc/44/06/48/966440648.db2.gz KKTXOXRPQYLPBB-CYBMUJFWSA-N 1 0 247.342 1.070 20 10 BDCDRO CC(C)[N@H+](CCCO)Cc1ccccc1O ZINC001203555619 966690706 /nfs/dbraw/zinc/69/07/06/966690706.db2.gz ARPHFRUZLJDZKX-UHFFFAOYSA-N 1 0 223.316 1.985 20 10 BDCDRO COc1cccc(C[N@@H+]2CCOC3(CC3)C2)c1O ZINC001203601895 966703146 /nfs/dbraw/zinc/70/31/46/966703146.db2.gz PVPNFLCEMNWCRA-UHFFFAOYSA-N 1 0 249.310 1.766 20 10 BDCDRO COc1ccc(C[NH+]2CC=CC2)c(O)c1 ZINC001203620857 966708340 /nfs/dbraw/zinc/70/83/40/966708340.db2.gz JZKFKUYMJIXWNT-UHFFFAOYSA-N 1 0 205.257 1.773 20 10 BDCDRO CN(Cc1cc(Cl)ccc1O)C1COC1 ZINC001203657142 966723229 /nfs/dbraw/zinc/72/32/29/966723229.db2.gz GBXQARDZIDVQOZ-UHFFFAOYSA-N 1 0 227.691 1.876 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1O ZINC001203874866 966804866 /nfs/dbraw/zinc/80/48/66/966804866.db2.gz DRJBDQRCOZAORU-AOOOYVTPSA-N 1 0 205.257 1.550 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)cc1O ZINC001203875087 966806505 /nfs/dbraw/zinc/80/65/05/966806505.db2.gz GYXMVUNOPATOFI-NEPJUHHUSA-N 1 0 249.310 1.566 20 10 BDCDRO COC[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875363 966807015 /nfs/dbraw/zinc/80/70/15/966807015.db2.gz MQQUJIMOQGOZRL-NSHDSACASA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)cc1O ZINC001203880553 966809578 /nfs/dbraw/zinc/80/95/78/966809578.db2.gz VLUQTLYETIABGL-BXUZGUMPSA-N 1 0 249.310 1.709 20 10 BDCDRO COc1cccc(CN(C)[C@@H](C)C[NH3+])c1O ZINC000383002064 966898039 /nfs/dbraw/zinc/89/80/39/966898039.db2.gz VHTSFIKQYYLDDL-VIFPVBQESA-N 1 0 224.304 1.180 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC001204276250 966955322 /nfs/dbraw/zinc/95/53/22/966955322.db2.gz IJILJGZBRASORZ-VIFPVBQESA-N 1 0 211.236 1.642 20 10 BDCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001203558491 967007820 /nfs/dbraw/zinc/00/78/20/967007820.db2.gz KKGYAFALUHXWPJ-WCQYABFASA-N 1 0 219.284 1.613 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2c(O)ccc(F)c2F)C1 ZINC001204801172 967174555 /nfs/dbraw/zinc/17/45/55/967174555.db2.gz KSKWDZRCXMCSFK-GFCCVEGCSA-N 1 0 242.269 1.594 20 10 BDCDRO [NH3+][C@H]1CN(Cc2c(O)cccc2F)C[C@H]1F ZINC001204819013 967183766 /nfs/dbraw/zinc/18/37/66/967183766.db2.gz BAPISCHSMOUCJN-ZJUUUORDSA-N 1 0 228.242 1.012 20 10 BDCDRO Cc1cc(F)cc(CN2C[C@@H](F)[C@@H]([NH3+])C2)c1O ZINC001204843440 967195640 /nfs/dbraw/zinc/19/56/40/967195640.db2.gz PIERCUWFOLHKST-MNOVXSKESA-N 1 0 242.269 1.321 20 10 BDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(O)cc1O ZINC001205064484 967322858 /nfs/dbraw/zinc/32/28/58/967322858.db2.gz QBFQXJWONQCLSA-ONGXEEELSA-N 1 0 236.315 1.409 20 10 BDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(N)cc1 ZINC001205083317 967332762 /nfs/dbraw/zinc/33/27/62/967332762.db2.gz RZNMYYDXKIMEMH-GWCFXTLKSA-N 1 0 219.332 1.580 20 10 BDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2c([O-])cccc2F)C1 ZINC001137831736 967822220 /nfs/dbraw/zinc/82/22/20/967822220.db2.gz LOWHTNVHKHIWDG-UWVGGRQHSA-N 1 0 239.290 1.734 20 10 BDCDRO C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(N)cc2)C1 ZINC001205840967 967848781 /nfs/dbraw/zinc/84/87/81/967848781.db2.gz JDYQNCPXRUVPNP-BXUZGUMPSA-N 1 0 233.359 1.828 20 10 BDCDRO Cc1cccc(CN2CC[C@@H](C)[C@@H]([NH3+])C2)c1O ZINC001205880516 967872214 /nfs/dbraw/zinc/87/22/14/967872214.db2.gz KVLWIDBVPYACCA-MFKMUULPSA-N 1 0 234.343 1.870 20 10 BDCDRO C[C@H]1C[NH2+]CCCN1Cc1ccc(N)cc1 ZINC001206262664 968182717 /nfs/dbraw/zinc/18/27/17/968182717.db2.gz DFLSOZOCSMMNCF-NSHDSACASA-N 1 0 219.332 1.453 20 10 BDCDRO C[C@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001251963343 968402086 /nfs/dbraw/zinc/40/20/86/968402086.db2.gz ZJSNUINICONISV-VIFPVBQESA-N 1 0 207.273 1.131 20 10 BDCDRO Cn1ccc2c1ncnc2C1=CCC[NH2+]C1 ZINC001240650272 968621889 /nfs/dbraw/zinc/62/18/89/968621889.db2.gz JMRRKHHICYXJAT-UHFFFAOYSA-N 1 0 214.272 1.345 20 10 BDCDRO Cn1ccc(C2=CNC3=[NH+]CCCC3=C2)cc1=O ZINC001240998145 968851267 /nfs/dbraw/zinc/85/12/67/968851267.db2.gz MJPZZCOJPRNELO-UHFFFAOYSA-N 1 0 241.294 1.448 20 10 BDCDRO Oc1cccc2c1C[N@H+](C[C@@H]1CCCO1)CC2 ZINC001207887402 968913557 /nfs/dbraw/zinc/91/35/57/968913557.db2.gz HZTTZDIDTFYWLB-LBPRGKRZSA-N 1 0 233.311 1.929 20 10 BDCDRO Oc1cccc2c1C[N@@H+](C1CCOCC1)CC2 ZINC001255044236 969864985 /nfs/dbraw/zinc/86/49/85/969864985.db2.gz OHQLGUBCHYRQHM-UHFFFAOYSA-N 1 0 233.311 1.929 20 10 BDCDRO CCc1cccc(C[NH2+]Cc2ccn(C)n2)c1O ZINC000691444389 969952537 /nfs/dbraw/zinc/95/25/37/969952537.db2.gz IVIFXRICMJRHGY-UHFFFAOYSA-N 1 0 245.326 1.978 20 10 BDCDRO CN1CCC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001255493614 970249554 /nfs/dbraw/zinc/24/95/54/970249554.db2.gz ZUSDHXNSMUDEFW-CYBMUJFWSA-N 1 0 246.354 1.845 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CO1 ZINC000401968298 970751891 /nfs/dbraw/zinc/75/18/91/970751891.db2.gz IBLUXNBKZIKOMC-KOLCDFICSA-N 1 0 207.273 1.659 20 10 BDCDRO C[C@H](O)[C@H](C)[NH2+]CCCSc1nccs1 ZINC001327976844 972838257 /nfs/dbraw/zinc/83/82/57/972838257.db2.gz AOTJTOWCOATBFE-IUCAKERBSA-N 1 0 246.401 1.984 20 10 BDCDRO C[C@@H]1CC[C@@H](N2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871292 973263242 /nfs/dbraw/zinc/26/32/42/973263242.db2.gz YWGLXFMBTHVDJX-DGCLKSJQSA-N 1 0 246.354 1.891 20 10 BDCDRO COc1ccc(N2C[C@@H]3OCC[N@H+](C)[C@H]3C2)cc1 ZINC001276925241 973305169 /nfs/dbraw/zinc/30/51/69/973305169.db2.gz YIQXKTAKMJFCLW-KBPBESRZSA-N 1 0 248.326 1.214 20 10 BDCDRO COC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000234867316 973782623 /nfs/dbraw/zinc/78/26/23/973782623.db2.gz YZOPTCRMNPQCSM-SNVBAGLBSA-N 1 0 245.706 1.143 20 10 BDCDRO Nc1ccc(C[NH2+][C@H]2COC[C@@H]2C2CC2)cc1 ZINC001334775066 976642596 /nfs/dbraw/zinc/64/25/96/976642596.db2.gz QCKWKOQFLJDABH-KGLIPLIRSA-N 1 0 232.327 1.783 20 10 BDCDRO Cc1cc(Nc2cccc(O)c2O)cc[nH+]1 ZINC001174657163 976952200 /nfs/dbraw/zinc/95/22/00/976952200.db2.gz PXWMXKUZLQMFAK-UHFFFAOYSA-N 1 0 216.240 1.967 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1O ZINC001231591086 977641585 /nfs/dbraw/zinc/64/15/85/977641585.db2.gz SBDYANQFKBHWPZ-RYUDHWBXSA-N 1 0 239.290 1.605 20 10 BDCDRO CCOC(=O)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC001231592245 977642445 /nfs/dbraw/zinc/64/24/45/977642445.db2.gz HQYBYZYLLJSLQP-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO CC[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231634709 977652387 /nfs/dbraw/zinc/65/23/87/977652387.db2.gz RJCSKJOJGPNOKY-UHFFFAOYSA-N 1 0 211.261 1.558 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001231850921 977771253 /nfs/dbraw/zinc/77/12/53/977771253.db2.gz WNLACYLKRDECQE-ZDUSSCGKSA-N 1 0 246.354 1.899 20 10 BDCDRO CC[N@H+](Cc1cc(O)c(O)c(O)c1)C1CC1 ZINC001233010114 978405765 /nfs/dbraw/zinc/40/57/65/978405765.db2.gz LBUIRDPJXGTCBE-UHFFFAOYSA-N 1 0 223.272 1.788 20 10 BDCDRO Oc1cc(C[N@@H+]2CCCC23CC3)cc(O)c1O ZINC001233009794 978406822 /nfs/dbraw/zinc/40/68/22/978406822.db2.gz BBRWYMVAYKEINE-UHFFFAOYSA-N 1 0 235.283 1.932 20 10 BDCDRO Oc1cc(C[NH+]2CCCCC2)cc(O)c1O ZINC001233009506 978408757 /nfs/dbraw/zinc/40/87/57/978408757.db2.gz XYRQDIQHGDZLHV-UHFFFAOYSA-N 1 0 223.272 1.789 20 10 BDCDRO Nc1ccc(C[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001337838789 978524572 /nfs/dbraw/zinc/52/45/72/978524572.db2.gz UKGHGXWNTFCMTD-GFCCVEGCSA-N 1 0 245.326 1.122 20 10 BDCDRO Nc1ccc(C[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC001337838790 978524699 /nfs/dbraw/zinc/52/46/99/978524699.db2.gz UKGHGXWNTFCMTD-LBPRGKRZSA-N 1 0 245.326 1.122 20 10 BDCDRO C[C@@H]1COCCN1Cc1cc(O)c(O)cc1O ZINC001233483442 978613364 /nfs/dbraw/zinc/61/33/64/978613364.db2.gz ZESSAEJWEOKREY-MRVPVSSYSA-N 1 0 239.271 1.024 20 10 BDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cccc(F)c2O)C1 ZINC001206412570 978817702 /nfs/dbraw/zinc/81/77/02/978817702.db2.gz BADJXFHDBVLLTJ-NXEZZACHSA-N 1 0 242.269 1.402 20 10 BDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2c(O)cccc2F)C1 ZINC001206414998 978856929 /nfs/dbraw/zinc/85/69/29/978856929.db2.gz SWTWEFLENPIPQN-RKDXNWHRSA-N 1 0 242.269 1.402 20 10 BDCDRO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204272970 978896836 /nfs/dbraw/zinc/89/68/36/978896836.db2.gz VSDIQOPIECVFSG-UWVGGRQHSA-N 1 0 241.262 1.003 20 10 BDCDRO Oc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1O ZINC001235037003 978958810 /nfs/dbraw/zinc/95/88/10/978958810.db2.gz CTKKGFPBBSPURJ-WDEREUQCSA-N 1 0 234.299 1.034 20 10 BDCDRO Cc1ccc(C)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235155956 978984554 /nfs/dbraw/zinc/98/45/54/978984554.db2.gz IYJQLWIOPCLMTJ-SWLSCSKDSA-N 1 0 246.354 1.932 20 10 BDCDRO C[C@H](O)CCC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001181276305 979028207 /nfs/dbraw/zinc/02/82/07/979028207.db2.gz LVUKNLRFZYKCEG-QMMMGPOBSA-N 1 0 245.269 1.921 20 10 BDCDRO COc1ccc(O)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235981900 979259958 /nfs/dbraw/zinc/25/99/58/979259958.db2.gz SNWJDUQPCBVJEQ-FZMZJTMJSA-N 1 0 248.326 1.324 20 10 BDCDRO COc1cccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235981708 979260041 /nfs/dbraw/zinc/26/00/41/979260041.db2.gz SACUFKFPBQGXAG-BXUZGUMPSA-N 1 0 248.326 1.324 20 10 BDCDRO CCc1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235991529 979280462 /nfs/dbraw/zinc/28/04/62/979280462.db2.gz OJXFEIJQJBQZDZ-DZGCQCFKSA-N 1 0 246.354 1.878 20 10 BDCDRO OCCCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001236072571 979361077 /nfs/dbraw/zinc/36/10/77/979361077.db2.gz KBEDAMADYAUMFL-UHFFFAOYSA-N 1 0 235.327 1.913 20 10 BDCDRO CN(Cc1cccc(F)c1O)C[C@@H]1CCC[NH2+]1 ZINC001236118957 979396723 /nfs/dbraw/zinc/39/67/23/979396723.db2.gz PNHABQPXBNHPLL-NSHDSACASA-N 1 0 238.306 1.715 20 10 BDCDRO CN(Cc1ccc(N)cc1)C[C@@H]1CCC[NH2+]1 ZINC001236121803 979399469 /nfs/dbraw/zinc/39/94/69/979399469.db2.gz DXYMVNASMUWXHX-ZDUSSCGKSA-N 1 0 219.332 1.453 20 10 BDCDRO CCOc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236292578 979498190 /nfs/dbraw/zinc/49/81/90/979498190.db2.gz NJPCPABLYJLNLT-YPMHNXCESA-N 1 0 248.326 1.195 20 10 BDCDRO C[C@@H]1[C@@H]([NH3+])CCCN1Cc1ccc(N)cc1 ZINC001236418398 979592689 /nfs/dbraw/zinc/59/26/89/979592689.db2.gz HIUANSAPKQHXJR-MFKMUULPSA-N 1 0 219.332 1.580 20 10 BDCDRO C[C@H]1CN(Cc2c(O)cccc2F)C[C@H](C)[NH2+]1 ZINC001236575137 979643177 /nfs/dbraw/zinc/64/31/77/979643177.db2.gz DWEMQPVOVPMZLT-UWVGGRQHSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC001236580010 979654114 /nfs/dbraw/zinc/65/41/14/979654114.db2.gz PPIMLVNYEMYVMM-TXEJJXNPSA-N 1 0 234.343 1.883 20 10 BDCDRO CCc1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC001236782838 979727223 /nfs/dbraw/zinc/72/72/23/979727223.db2.gz FNOFKKZHRDHONA-UHFFFAOYSA-N 1 0 235.327 1.769 20 10 BDCDRO CCOc1ccc(C[NH+]2CC(CO)C2)c(O)c1 ZINC001237042505 979808393 /nfs/dbraw/zinc/80/83/93/979808393.db2.gz XDPOXZLYASLZRU-UHFFFAOYSA-N 1 0 237.299 1.215 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1CO ZINC001237484873 979909451 /nfs/dbraw/zinc/90/94/51/979909451.db2.gz JFYQMRCHCCMSHF-NSHDSACASA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](O)C[C@H]1C ZINC001237484515 979910562 /nfs/dbraw/zinc/91/05/62/979910562.db2.gz DTAPKLIHNAOTMO-MNOVXSKESA-N 1 0 221.300 1.656 20 10 BDCDRO CO[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H]1F ZINC001237485784 979913199 /nfs/dbraw/zinc/91/31/99/979913199.db2.gz SJZPCMFRJGTCBB-AAEUAGOBSA-N 1 0 239.290 1.869 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC001238064140 980133180 /nfs/dbraw/zinc/13/31/80/980133180.db2.gz OPLMNCFPFXMNQL-LBPRGKRZSA-N 1 0 239.290 1.796 20 10 BDCDRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(N)cc2)C1 ZINC001346210022 980786420 /nfs/dbraw/zinc/78/64/20/980786420.db2.gz MJJBLNQWQVDRGD-GFCCVEGCSA-N 1 0 247.342 1.227 20 10 BDCDRO Nc1ccc(CNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC001346218414 980788572 /nfs/dbraw/zinc/78/85/72/980788572.db2.gz AWBOYSXYKZTDPT-LBPRGKRZSA-N 1 0 233.315 1.027 20 10 BDCDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880587 982574386 /nfs/dbraw/zinc/57/43/86/982574386.db2.gz VSKFIEGQXBLSGP-LBPRGKRZSA-N 1 0 249.310 1.899 20 10 BDCDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccc(N)cc1)C2 ZINC001352788653 982579913 /nfs/dbraw/zinc/57/99/13/982579913.db2.gz FVWOKKREPUSZNZ-OCCSQVGLSA-N 1 0 232.327 1.737 20 10 BDCDRO Nc1ccc(CN2CCO[C@H](C(F)F)C2)cc1 ZINC001352790034 982581392 /nfs/dbraw/zinc/58/13/92/982581392.db2.gz NIEABVOOHAYTNE-NSHDSACASA-N 1 0 242.269 1.735 20 10 BDCDRO CC[NH2+][C@@H](C)C(=O)NCc1c(O)cccc1F ZINC001354863994 983377661 /nfs/dbraw/zinc/37/76/61/983377661.db2.gz BETCELXGJUHWHT-QMMMGPOBSA-N 1 0 240.278 1.146 20 10 BDCDRO CC(C)[C@@H]1C(=O)NCCN1Cc1ccc(N)cc1 ZINC001356083595 983568895 /nfs/dbraw/zinc/56/88/95/983568895.db2.gz UHDDZAJKJWFEJW-CYBMUJFWSA-N 1 0 247.342 1.225 20 10 BDCDRO Oc1cccc2c1C[N@H+](C[C@H]1CCOC1)CC2 ZINC001202512929 983838966 /nfs/dbraw/zinc/83/89/66/983838966.db2.gz LOBXRAVYOXCLDB-LLVKDONJSA-N 1 0 233.311 1.787 20 10 BDCDRO OCC1([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000120349096 983845656 /nfs/dbraw/zinc/84/56/56/983845656.db2.gz WZNXKPAKZCLHTQ-UHFFFAOYSA-N 1 0 219.284 1.236 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC3(CCN3C)C2)c1 ZINC001275312014 984535095 /nfs/dbraw/zinc/53/50/95/984535095.db2.gz YPIZTOZKACTGLM-UHFFFAOYSA-N 1 0 232.327 1.591 20 10 BDCDRO C[N@@H+]1CCC2(CN(Cc3cc(O)ccc3O)C2)C1 ZINC001275418932 984559373 /nfs/dbraw/zinc/55/93/73/984559373.db2.gz MPSIHBLJJSUAGX-UHFFFAOYSA-N 1 0 248.326 1.235 20 10 BDCDRO C[NH2+]CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC001578691569 985292725 /nfs/dbraw/zinc/29/27/25/985292725.db2.gz QHPFZQJCFOEHEX-UHFFFAOYSA-N 1 0 230.258 1.370 20 10 BDCDRO NC[C@@H]([NH2+]Cc1ccc(N)cc1)C1CC1 ZINC001120371051 989640627 /nfs/dbraw/zinc/64/06/27/989640627.db2.gz NWNOKMXCAQJUMV-GFCCVEGCSA-N 1 0 205.305 1.096 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@@H]1O ZINC001308955016 991231621 /nfs/dbraw/zinc/23/16/21/991231621.db2.gz WNUDPAWNKQJWCS-PELKAZGASA-N 1 0 241.718 1.858 20 10 BDCDRO C[NH+]1CC2(CN(Cc3cc(F)ccc3O)C2)C1 ZINC001140056206 991508967 /nfs/dbraw/zinc/50/89/67/991508967.db2.gz MDBMAVXKFYYNOS-UHFFFAOYSA-N 1 0 236.290 1.279 20 10 BDCDRO Oc1ccc(F)cc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001140056252 991510007 /nfs/dbraw/zinc/51/00/07/991510007.db2.gz NZRDVPHXOZYKOZ-LBPRGKRZSA-N 1 0 236.290 1.421 20 10 BDCDRO CO[C@@H](C)C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140060234 991511403 /nfs/dbraw/zinc/51/14/03/991511403.db2.gz QDZGPIAACOJUNB-VIFPVBQESA-N 1 0 239.290 1.998 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CCN(C)CC2)c1O ZINC001140180678 991548600 /nfs/dbraw/zinc/54/86/00/991548600.db2.gz NPQQGSBZYBKWOW-UHFFFAOYSA-N 1 0 234.343 1.756 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC001140179800 991551605 /nfs/dbraw/zinc/55/16/05/991551605.db2.gz PNDNZBLXPJLBLS-GFCCVEGCSA-N 1 0 235.327 1.823 20 10 BDCDRO COC(=O)C1CC([NH2+][C@@H](C)c2ccccc2O)C1 ZINC001560970680 991672153 /nfs/dbraw/zinc/67/21/53/991672153.db2.gz FGHYGEYLPRJURY-WHXUTIOJSA-N 1 0 249.310 1.994 20 10 BDCDRO C[C@]12C[NH2+]C[C@H]1C[N@H+](Cc1ccc(N)cc1)C2 ZINC001262487730 992892072 /nfs/dbraw/zinc/89/20/72/992892072.db2.gz CKKFVGVPQQPMPM-GXTWGEPZSA-N 1 0 231.343 1.310 20 10 BDCDRO Cc1cc(C[NH2+]Cc2cc(F)ccc2O)n(C)n1 ZINC000284383756 178023995 /nfs/dbraw/zinc/02/39/95/178023995.db2.gz ONZGDHSXLAXBLF-UHFFFAOYSA-N 1 0 249.289 1.863 20 10 BDCDRO CC(C)[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297527032 398205736 /nfs/dbraw/zinc/20/57/36/398205736.db2.gz DJYNSFJEIMFFDT-NWDGAFQWSA-N 1 0 235.327 1.986 20 10 BDCDRO CC(C)C[C@@H](C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262592007 187331796 /nfs/dbraw/zinc/33/17/96/187331796.db2.gz CLBKDDMVUZWKFD-ZDUSSCGKSA-N 1 0 249.358 1.301 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)cc1C ZINC000180189386 178195750 /nfs/dbraw/zinc/19/57/50/178195750.db2.gz CODGJUKULRVKEF-CQSZACIVSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CCNC(=O)CC2)cc1C ZINC000044780978 178195873 /nfs/dbraw/zinc/19/58/73/178195873.db2.gz OHELJZFTDFCCBN-UHFFFAOYSA-N 1 0 248.326 1.331 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000007250723 342790315 /nfs/dbraw/zinc/79/03/15/342790315.db2.gz NMKJUFVFBPAOEZ-UHFFFAOYSA-N 1 0 235.331 1.060 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCNC(=O)CC2)cc1 ZINC000093101424 398308292 /nfs/dbraw/zinc/30/82/92/398308292.db2.gz MDHZEYYTTFRAAC-UHFFFAOYSA-N 1 0 247.342 1.075 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H](O)C(F)(F)F)c1ccccc1O ZINC000228791588 398341741 /nfs/dbraw/zinc/34/17/41/398341741.db2.gz MJQPSMBSCAOCDA-GMSGAONNSA-N 1 0 249.232 1.966 20 10 BDCDRO C[C@@H](O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037257688 343341246 /nfs/dbraw/zinc/34/12/46/343341246.db2.gz CZLVRXCMSXZNIW-GHMZBOCLSA-N 1 0 222.332 1.784 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCOC2)c1O ZINC000162817914 179068305 /nfs/dbraw/zinc/06/83/05/179068305.db2.gz LPYVVNJJZMJZHZ-GFCCVEGCSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(C[NH2+]C(C)(C)CCO)c1O ZINC000162644296 179088002 /nfs/dbraw/zinc/08/80/02/179088002.db2.gz YXGVVBJWWJVZDK-UHFFFAOYSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000180633995 179082873 /nfs/dbraw/zinc/08/28/73/179082873.db2.gz CTPMXOPPLXSWTN-CYBMUJFWSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC000180634017 179082921 /nfs/dbraw/zinc/08/29/21/179082921.db2.gz CTPMXOPPLXSWTN-ZDUSSCGKSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(C[NH2+]CCN2CCCC2)c1O ZINC000127870014 179091984 /nfs/dbraw/zinc/09/19/84/179091984.db2.gz GWIREPOSHRKGNA-UHFFFAOYSA-N 1 0 234.343 1.886 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c1O ZINC000271905205 179097135 /nfs/dbraw/zinc/09/71/35/179097135.db2.gz WMVLIPZLPGIOJP-LLVKDONJSA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCCOC2)c1O ZINC000162860213 179101915 /nfs/dbraw/zinc/10/19/15/179101915.db2.gz NLFRHSVIMZCJIZ-LBPRGKRZSA-N 1 0 221.300 1.969 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)C(C)(C)C(N)=O)cc1 ZINC000295644572 188039651 /nfs/dbraw/zinc/03/96/51/188039651.db2.gz GUPDDXSHWFKIPL-UHFFFAOYSA-N 1 0 249.358 1.448 20 10 BDCDRO [NH3+]CCC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000295287475 181367748 /nfs/dbraw/zinc/36/77/48/181367748.db2.gz WSHXFVVNJRDPGQ-UHFFFAOYSA-N 1 0 248.326 1.236 20 10 BDCDRO OCCCC[NH2+]Cc1cc(F)ccc1O ZINC000194530711 183052389 /nfs/dbraw/zinc/05/23/89/183052389.db2.gz TWUIMVXSCZVOHI-UHFFFAOYSA-N 1 0 213.252 1.393 20 10 BDCDRO OC[C@@H]1CC[N@H+](Cc2c(O)cccc2Cl)C1 ZINC000127231702 183123047 /nfs/dbraw/zinc/12/30/47/183123047.db2.gz MKLXNWCWQYGZLM-SECBINFHSA-N 1 0 241.718 1.860 20 10 BDCDRO OC[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000128551773 183124595 /nfs/dbraw/zinc/12/45/95/183124595.db2.gz AHJKDMGXUJONRF-SNVBAGLBSA-N 1 0 207.273 1.206 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCC1(O)CCC1 ZINC000285070770 183274738 /nfs/dbraw/zinc/27/47/38/183274738.db2.gz LYPCHCOWZUXLII-UHFFFAOYSA-N 1 0 239.290 1.926 20 10 BDCDRO Oc1ccccc1CN1CC[NH+](CC2CC2)CC1 ZINC000179559754 183301500 /nfs/dbraw/zinc/30/15/00/183301500.db2.gz GXNBZTJMXNZZKU-UHFFFAOYSA-N 1 0 246.354 1.920 20 10 BDCDRO Oc1ccccc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000294231193 183302424 /nfs/dbraw/zinc/30/24/24/183302424.db2.gz ZHWQKDQCQYOXFT-GFCCVEGCSA-N 1 0 221.300 1.739 20 10 BDCDRO Oc1ccccc1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000179952661 183302544 /nfs/dbraw/zinc/30/25/44/183302544.db2.gz MESVLDUWAGLFNN-CYBMUJFWSA-N 1 0 232.327 1.672 20 10 BDCDRO Oc1ccccc1C[NH2+]CCOCC(F)F ZINC000190902020 183303000 /nfs/dbraw/zinc/30/30/00/183303000.db2.gz KAHKQKAYJWAZBW-UHFFFAOYSA-N 1 0 231.242 1.764 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000111236469 383843807 /nfs/dbraw/zinc/84/38/07/383843807.db2.gz WVKPUFGAKURXDI-UHFFFAOYSA-N 1 0 223.272 1.387 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H](CO)C2)cc1 ZINC000066057168 383845678 /nfs/dbraw/zinc/84/56/78/383845678.db2.gz MGMJUDQGJJPKPT-AWEZNQCLSA-N 1 0 248.370 1.957 20 10 BDCDRO COc1ccc(C[NH2+]C[C@H](C)CO)cc1C ZINC000088195388 383884888 /nfs/dbraw/zinc/88/48/88/383884888.db2.gz JMIMDAZBEVMVEV-JTQLQIEISA-N 1 0 223.316 1.722 20 10 BDCDRO CC[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296224271 383978820 /nfs/dbraw/zinc/97/88/20/383978820.db2.gz ZXIAQPFFUPNMQR-MNOVXSKESA-N 1 0 221.300 1.740 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[NH2+]C1 ZINC000037823732 384023402 /nfs/dbraw/zinc/02/34/02/384023402.db2.gz FGTZOGJZUUJLHT-NSHDSACASA-N 1 0 248.326 1.350 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000070955056 384144135 /nfs/dbraw/zinc/14/41/35/384144135.db2.gz UGYSWHDGXQEKOV-LLVKDONJSA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000070955250 384144273 /nfs/dbraw/zinc/14/42/73/384144273.db2.gz QHRVJIXAJCZALB-NSHDSACASA-N 1 0 221.300 1.827 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCC(=O)N(C)C)c1 ZINC000071408033 384165220 /nfs/dbraw/zinc/16/52/20/384165220.db2.gz NIMKMVZRBGHSQL-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO CCCC[N@H+](CC(N)=O)Cc1ccccc1O ZINC000132865661 384258564 /nfs/dbraw/zinc/25/85/64/384258564.db2.gz JUTJQXNFLVMYKK-UHFFFAOYSA-N 1 0 236.315 1.480 20 10 BDCDRO C[C@H](C(=O)N(C)C)[N@H+](C)Cc1ccccc1O ZINC000121144995 384400454 /nfs/dbraw/zinc/40/04/54/384400454.db2.gz IAXFCPAQNYBALF-SNVBAGLBSA-N 1 0 236.315 1.301 20 10 BDCDRO CC[C@@H]([NH2+]CCCO)c1ccccc1O ZINC000020188185 384588018 /nfs/dbraw/zinc/58/80/18/384588018.db2.gz UXMDTNUBKYZNRL-LLVKDONJSA-N 1 0 209.289 1.815 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]CCOCCO)c(O)c1 ZINC000020199204 384596192 /nfs/dbraw/zinc/59/61/92/384596192.db2.gz KNXFRXBAPQDZND-NSHDSACASA-N 1 0 239.315 1.360 20 10 BDCDRO CC(=O)N1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000124505697 384646539 /nfs/dbraw/zinc/64/65/39/384646539.db2.gz ZGTQCFDZWBYCQN-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO C[N@H+](CCO)Cc1c(O)cccc1Cl ZINC000127921995 384921963 /nfs/dbraw/zinc/92/19/63/384921963.db2.gz BMMDVQVAUXEPNV-UHFFFAOYSA-N 1 0 215.680 1.470 20 10 BDCDRO C[C@H]([NH2+]CC(C)(C)O)c1cc(F)ccc1O ZINC000087111427 385073336 /nfs/dbraw/zinc/07/33/36/385073336.db2.gz VWXCAQPIOROPLD-QMMMGPOBSA-N 1 0 227.279 1.953 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000050227705 385312872 /nfs/dbraw/zinc/31/28/72/385312872.db2.gz KRRNFZYQYCCCAB-SNVBAGLBSA-N 1 0 226.707 1.579 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1 ZINC000191185883 385289723 /nfs/dbraw/zinc/28/97/23/385289723.db2.gz LFMPQMBZVVSUBL-AAEUAGOBSA-N 1 0 235.327 1.903 20 10 BDCDRO CCN(C)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000179902690 385499684 /nfs/dbraw/zinc/49/96/84/385499684.db2.gz NCOHYJDHYMXRBV-SNVBAGLBSA-N 1 0 236.315 1.521 20 10 BDCDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1O ZINC000183629658 385779526 /nfs/dbraw/zinc/77/95/26/385779526.db2.gz JOQGPRGPCPOCSW-ZWNOBZJWSA-N 1 0 237.299 1.194 20 10 BDCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272522727 385908818 /nfs/dbraw/zinc/90/88/18/385908818.db2.gz LLUSNCXLJKZVMF-OCCSQVGLSA-N 1 0 248.370 1.955 20 10 BDCDRO CC[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1O ZINC000294896033 385912563 /nfs/dbraw/zinc/91/25/63/385912563.db2.gz RFOIFYXRJDVRLC-UMNHJUIQSA-N 1 0 221.300 1.956 20 10 BDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000234898387 386114145 /nfs/dbraw/zinc/11/41/45/386114145.db2.gz PPNDVANZNWUBSY-GHMZBOCLSA-N 1 0 239.315 1.359 20 10 BDCDRO C[C@H](CO)[N@H+](C)Cc1cc(F)ccc1O ZINC000289179920 386269905 /nfs/dbraw/zinc/26/99/05/386269905.db2.gz AKDWHFRIQPHYGU-MRVPVSSYSA-N 1 0 213.252 1.344 20 10 BDCDRO COC[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000226565056 386334579 /nfs/dbraw/zinc/33/45/79/386334579.db2.gz JUQBDERIMXIGSV-SNVBAGLBSA-N 1 0 239.290 2.000 20 10 BDCDRO CC[C@@H](CO)[N@H+](C)Cc1cc(OC)ccc1O ZINC000295072624 386692236 /nfs/dbraw/zinc/69/22/36/386692236.db2.gz HMQQSVVNLLFLGT-NSHDSACASA-N 1 0 239.315 1.604 20 10 BDCDRO C[C@@H](CN(C)C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297436608 388429643 /nfs/dbraw/zinc/42/96/43/388429643.db2.gz VSOKLPVFGJUDHI-CMPLNLGQSA-N 1 0 234.343 1.919 20 10 BDCDRO CC(C)[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297613964 388430758 /nfs/dbraw/zinc/43/07/58/388430758.db2.gz IREDGLKZDKQTQM-YPMHNXCESA-N 1 0 235.327 1.986 20 10 BDCDRO C[C@@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000164490198 397998109 /nfs/dbraw/zinc/99/81/09/397998109.db2.gz LAYSUMWEBRFCOO-XQJJYNOISA-N 1 0 241.356 1.810 20 10 BDCDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccccc1O ZINC000163421522 168008481 /nfs/dbraw/zinc/00/84/81/168008481.db2.gz KOGUUWCKIQKSKL-VXGBXAGGSA-N 1 0 221.300 1.641 20 10 BDCDRO CCOCC[N@H+](C)Cc1cc(F)ccc1O ZINC000181484428 170390525 /nfs/dbraw/zinc/39/05/25/170390525.db2.gz FNCALKWGUUXUGF-UHFFFAOYSA-N 1 0 227.279 2.000 20 10 BDCDRO CN(C)C(C)(C)C[NH2+]Cc1ccccc1O ZINC000020125735 172394465 /nfs/dbraw/zinc/39/44/65/172394465.db2.gz LRGJKELGETXZAS-UHFFFAOYSA-N 1 0 222.332 1.822 20 10 BDCDRO COCCC[NH2+]Cc1cc(C)ccc1O ZINC000070955009 174247167 /nfs/dbraw/zinc/24/71/67/174247167.db2.gz PBUVSMAMDLNBIL-UHFFFAOYSA-N 1 0 209.289 1.827 20 10 BDCDRO COCC[C@@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000282355739 174389124 /nfs/dbraw/zinc/38/91/24/174389124.db2.gz VVLPNMGWAJNMNJ-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO COC[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000071269057 174597909 /nfs/dbraw/zinc/59/79/09/174597909.db2.gz ALNJAYYZGGWEBA-GFCCVEGCSA-N 1 0 239.315 1.101 20 10 BDCDRO CO[C@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000191205055 174834212 /nfs/dbraw/zinc/83/42/12/174834212.db2.gz DPOQFEUKSBWGDX-SNVBAGLBSA-N 1 0 209.289 1.825 20 10 BDCDRO COc1ccc(N(C)CCC[NH3+])cc1OC ZINC000020239265 175136606 /nfs/dbraw/zinc/13/66/06/175136606.db2.gz GCRWKPYEOZFOOD-UHFFFAOYSA-N 1 0 224.304 1.489 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C(C)(C)[C@H](C)O)c1 ZINC000164786773 175157845 /nfs/dbraw/zinc/15/78/45/175157845.db2.gz OIIXVYCBIAWZGX-VIFPVBQESA-N 1 0 239.315 1.650 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134236707 175159433 /nfs/dbraw/zinc/15/94/33/175159433.db2.gz MKZPQFMIXJHXTD-BXKDBHETSA-N 1 0 237.299 1.668 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000086629170 175160193 /nfs/dbraw/zinc/16/01/93/175160193.db2.gz KKTRZHYDABDAFJ-ZJUUUORDSA-N 1 0 239.315 1.680 20 10 BDCDRO COc1cccc(C[N@H+](C)CCF)c1O ZINC000293594700 175255357 /nfs/dbraw/zinc/25/53/57/175255357.db2.gz ITXNBLMDOAYPGJ-UHFFFAOYSA-N 1 0 213.252 1.802 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H](C)CO)c1O ZINC000082367471 175264098 /nfs/dbraw/zinc/26/40/98/175264098.db2.gz VSASQVUFQMZYCJ-VIFPVBQESA-N 1 0 225.288 1.119 20 10 BDCDRO COc1cccc(C[NH2+]Cc2[nH]ncc2C)c1O ZINC000291703935 175265508 /nfs/dbraw/zinc/26/55/08/175265508.db2.gz ZFKOTBNEBUFIGX-UHFFFAOYSA-N 1 0 247.298 1.722 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)Cn1cncn1)c1ccccc1O ZINC000272864236 175784674 /nfs/dbraw/zinc/78/46/74/175784674.db2.gz NLFPUZFQVHALLO-WDEREUQCSA-N 1 0 246.314 1.723 20 10 BDCDRO C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000377825473 177062871 /nfs/dbraw/zinc/06/28/71/177062871.db2.gz CBLCOWDAIZQUBP-JTQLQIEISA-N 1 0 234.299 1.103 20 10 BDCDRO C[C@@H]([NH2+]CC1COC1)c1ccccc1O ZINC000528028385 262903711 /nfs/dbraw/zinc/90/37/11/262903711.db2.gz WVJLIFSPEXLXHA-SECBINFHSA-N 1 0 207.273 1.689 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894149999 583319302 /nfs/dbraw/zinc/31/93/02/583319302.db2.gz TVJKTLKQVMUWIC-JTQLQIEISA-N 1 0 239.315 1.834 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCOCCF ZINC000853091462 588719323 /nfs/dbraw/zinc/71/93/23/588719323.db2.gz JSPGUVHBARRGBX-UHFFFAOYSA-N 1 0 243.278 1.477 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1cc(OC)ccc1O ZINC000853248329 588729100 /nfs/dbraw/zinc/72/91/00/588729100.db2.gz DEJHVWVLEKNSPH-VIFPVBQESA-N 1 0 224.304 1.098 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000854232738 588781373 /nfs/dbraw/zinc/78/13/73/588781373.db2.gz SKNSDZOCPDTFDI-WDEREUQCSA-N 1 0 222.332 1.959 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000854231698 588781385 /nfs/dbraw/zinc/78/13/85/588781385.db2.gz JYUAWASRADADPQ-BDAKNGLRSA-N 1 0 226.295 1.790 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000854231374 588781646 /nfs/dbraw/zinc/78/16/46/588781646.db2.gz GSKJPQUSAUWNCD-UWVGGRQHSA-N 1 0 238.331 1.659 20 10 BDCDRO C[C@@H](CCNC(=O)C1=CC(=O)CS1)[NH+](C)C ZINC000855417659 588832283 /nfs/dbraw/zinc/83/22/83/588832283.db2.gz MHAGKMSWWQZGSN-QMMMGPOBSA-N 1 0 242.344 1.524 20 10 BDCDRO C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000892003279 582758788 /nfs/dbraw/zinc/75/87/88/582758788.db2.gz VAZMSBAGZWTBAE-VHSXEESVSA-N 1 0 249.314 1.114 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000892145396 582800862 /nfs/dbraw/zinc/80/08/62/582800862.db2.gz YXBZDUWSYAMYDW-BDAKNGLRSA-N 1 0 249.314 1.153 20 10 BDCDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccccc2O)C1 ZINC000877754002 583345811 /nfs/dbraw/zinc/34/58/11/583345811.db2.gz WFYFQLQDFYARDJ-GFCCVEGCSA-N 1 0 235.327 1.985 20 10 BDCDRO COc1ccc(C[NH2+]Cc2ocnc2C)c(O)c1 ZINC000894639956 583498428 /nfs/dbraw/zinc/49/84/28/583498428.db2.gz WTIPZXMJWTYVHY-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1COCO1 ZINC000894880144 583543709 /nfs/dbraw/zinc/54/37/09/583543709.db2.gz AMLUXJWMAPNOMV-SNVBAGLBSA-N 1 0 223.272 1.163 20 10 BDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647813 583699524 /nfs/dbraw/zinc/69/95/24/583699524.db2.gz MICMZWRJHWICFV-FZMZJTMJSA-N 1 0 249.310 1.358 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651739 583703433 /nfs/dbraw/zinc/70/34/33/583703433.db2.gz BRKHQWDHELZMCW-GWCFXTLKSA-N 1 0 219.284 1.267 20 10 BDCDRO CC1([NH2+]Cc2ccc3c(c2)CCCO3)COC1 ZINC000895754252 583720427 /nfs/dbraw/zinc/72/04/27/583720427.db2.gz MHUKKBSWJZUACD-UHFFFAOYSA-N 1 0 233.311 1.890 20 10 BDCDRO Cc1ccc(C[NH2+]C2CC(CC(N)=O)C2)c(O)c1 ZINC000896406553 583800751 /nfs/dbraw/zinc/80/07/51/583800751.db2.gz IZEROTRDWKOBSY-UHFFFAOYSA-N 1 0 248.326 1.444 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897678371 584036545 /nfs/dbraw/zinc/03/65/45/584036545.db2.gz ASNUPLVHCVFXPY-ZWNOBZJWSA-N 1 0 221.300 1.513 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000841059550 584126264 /nfs/dbraw/zinc/12/62/64/584126264.db2.gz UJYDYXAGSDGXKZ-AAEUAGOBSA-N 1 0 234.343 1.788 20 10 BDCDRO NOCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000902415066 584601100 /nfs/dbraw/zinc/60/11/00/584601100.db2.gz KIGWFXJSZVTJTO-JTQLQIEISA-N 1 0 222.288 1.250 20 10 BDCDRO COc1cc(C[N@@H+]2CC[C@H]2CO)c(O)cc1C ZINC000902630673 584647108 /nfs/dbraw/zinc/64/71/08/584647108.db2.gz BYNHZAIBDUNAJL-NSHDSACASA-N 1 0 237.299 1.276 20 10 BDCDRO CC(C)([NH3+])CC[NH2+]Cc1cccc(F)c1[O-] ZINC000903939185 584823612 /nfs/dbraw/zinc/82/36/12/584823612.db2.gz TTWNZHINDROCBJ-UHFFFAOYSA-N 1 0 226.295 1.748 20 10 BDCDRO Nc1ccc(NC[C@@H]([NH3+])CC(F)F)cc1 ZINC000903917483 584827260 /nfs/dbraw/zinc/82/72/60/584827260.db2.gz MESROCWVNWDEAR-QMMMGPOBSA-N 1 0 215.247 1.663 20 10 BDCDRO COc1cccc(CN[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903960257 584827495 /nfs/dbraw/zinc/82/74/95/584827495.db2.gz BAZYATRGGXNKFJ-MWLCHTKSSA-N 1 0 236.315 1.098 20 10 BDCDRO Cc1cccc(CN[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903963840 584833312 /nfs/dbraw/zinc/83/33/12/584833312.db2.gz HLIUDMRHBMTVCM-ZYHUDNBSSA-N 1 0 220.316 1.398 20 10 BDCDRO CC1(C)CN(Cc2cccc(F)c2O)C[C@@H]1[NH3+] ZINC000903986516 584835735 /nfs/dbraw/zinc/83/57/35/584835735.db2.gz LICCMNNNPGPLEK-NSHDSACASA-N 1 0 238.306 1.700 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CNOC2)c(Cl)c1 ZINC000904424462 584880875 /nfs/dbraw/zinc/88/08/75/584880875.db2.gz SYULZYMQWNQUES-MRVPVSSYSA-N 1 0 242.706 1.347 20 10 BDCDRO Cc1cc(Cl)cc(C[NH2+]C/C=C\CO)c1O ZINC000826936593 584896406 /nfs/dbraw/zinc/89/64/06/584896406.db2.gz ACEMUXPTACNZJM-IHWYPQMZSA-N 1 0 241.718 1.992 20 10 BDCDRO CN1CCC[C@H]1CNC(=O)C1=CC(=O)CS1 ZINC000732277087 584935545 /nfs/dbraw/zinc/93/55/45/584935545.db2.gz DXWNMJLVZKENAH-QMMMGPOBSA-N 1 0 240.328 1.278 20 10 BDCDRO COc1cccc(O)c1C[NH+]1CC(C)(CO)C1 ZINC000839145987 585092309 /nfs/dbraw/zinc/09/23/09/585092309.db2.gz ZJOXYLAMNGWJPK-UHFFFAOYSA-N 1 0 237.299 1.215 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC(O)(C(C)C)C2)c1 ZINC000839133578 585094146 /nfs/dbraw/zinc/09/41/46/585094146.db2.gz VZVVXKCQXMELSV-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC(CCO)C2)c1 ZINC000839140275 585094335 /nfs/dbraw/zinc/09/43/35/585094335.db2.gz LCMUCQFYXXTFJK-UHFFFAOYSA-N 1 0 221.300 1.515 20 10 BDCDRO CC[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768440141 585538427 /nfs/dbraw/zinc/53/84/27/585538427.db2.gz DIPUGXZTTGDGTK-CYBMUJFWSA-N 1 0 249.310 1.802 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000769446262 585556596 /nfs/dbraw/zinc/55/65/96/585556596.db2.gz LNESRFGQUBROBK-CQSZACIVSA-N 1 0 234.343 1.973 20 10 BDCDRO OCC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000770511030 585575342 /nfs/dbraw/zinc/57/53/42/585575342.db2.gz VXWAHOVNIZPNBU-LBPRGKRZSA-N 1 0 235.327 1.987 20 10 BDCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1O ZINC000788268586 585920244 /nfs/dbraw/zinc/92/02/44/585920244.db2.gz GKHCDJNANZDBNI-ONGXEEELSA-N 1 0 207.273 1.347 20 10 BDCDRO CC[C@@H](C[NH2+]Cc1c(O)cccc1OC)OC ZINC000810175678 586535919 /nfs/dbraw/zinc/53/59/19/586535919.db2.gz AZOWBLQQJVVTEN-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO Cc1cc(C[N@@H+](C)[C@@H](C)CO)ccc1N(C)C ZINC000815075833 586665204 /nfs/dbraw/zinc/66/52/04/586665204.db2.gz FQIDBYHWYZYOLD-LBPRGKRZSA-N 1 0 236.359 1.874 20 10 BDCDRO Cc1cc(C[N@H+]2C[C@H](C)[C@H](O)C2)ccc1N(C)C ZINC000815081056 586666204 /nfs/dbraw/zinc/66/62/04/586666204.db2.gz QOCRTPYXGBSYBA-SWLSCSKDSA-N 1 0 248.370 1.874 20 10 BDCDRO C[C@@H]1C[C@H](NCC[NH3+])c2c1c(F)ccc2O ZINC000817935450 586843242 /nfs/dbraw/zinc/84/32/42/586843242.db2.gz WERXVXVPVNSXCG-APPZFPTMSA-N 1 0 224.279 1.628 20 10 BDCDRO CC[C@@H]([NH2+]CCN)c1ccc(C)cc1O ZINC000817934281 586843377 /nfs/dbraw/zinc/84/33/77/586843377.db2.gz FYROUMLXLOXEMT-LLVKDONJSA-N 1 0 208.305 1.700 20 10 BDCDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817940482 586845434 /nfs/dbraw/zinc/84/54/34/586845434.db2.gz ICLBGZVTQSBFHF-ONGXEEELSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944565 586845943 /nfs/dbraw/zinc/84/59/43/586845943.db2.gz GZWQSMVUSHXFHV-ZJUUUORDSA-N 1 0 206.289 1.405 20 10 BDCDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944563 586846223 /nfs/dbraw/zinc/84/62/23/586846223.db2.gz GZWQSMVUSHXFHV-UWVGGRQHSA-N 1 0 206.289 1.405 20 10 BDCDRO COc1ccc(O)c([C@@H](C)NC2C[NH2+]C2)c1 ZINC000817955480 586849919 /nfs/dbraw/zinc/84/99/19/586849919.db2.gz BUCIRZXNTRQNPH-MRVPVSSYSA-N 1 0 222.288 1.023 20 10 BDCDRO Cc1ccc([C@@H](C)NC2C[NH2+]C2)c(O)c1C ZINC000817955920 586850175 /nfs/dbraw/zinc/85/01/75/586850175.db2.gz LIEDBFBYMCRMOY-SNVBAGLBSA-N 1 0 220.316 1.631 20 10 BDCDRO C[C@H]([NH3+])CN[C@@H](C)c1cc(F)ccc1O ZINC000817972764 586858674 /nfs/dbraw/zinc/85/86/74/586858674.db2.gz OIOFJEYESTZWBM-YUMQZZPRSA-N 1 0 212.268 1.529 20 10 BDCDRO CC[NH2+][C@H](C)CN[C@H]1CCc2cccc(O)c21 ZINC000817974066 586860409 /nfs/dbraw/zinc/86/04/09/586860409.db2.gz XSCMLULMJMVESA-PWSUYJOCSA-N 1 0 234.343 1.967 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1[O-])[C@H](C)[NH3+] ZINC000817977119 586860865 /nfs/dbraw/zinc/86/08/65/586860865.db2.gz BQNXHWPDZLZDLP-YIZRAAEISA-N 1 0 226.295 1.918 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818358335 586888987 /nfs/dbraw/zinc/88/89/87/586888987.db2.gz WARWOVIHXGDSIW-RLCGTCKNSA-N 1 0 237.299 1.575 20 10 BDCDRO Nc1ccc(CCNC(=O)CC2(C[NH3+])CC2)cc1 ZINC000818545343 586899636 /nfs/dbraw/zinc/89/96/36/586899636.db2.gz ZFUFFBCQIMJJLB-UHFFFAOYSA-N 1 0 247.342 1.057 20 10 BDCDRO CC(C)[C@H](C(=O)Nc1ccc(N)cc1)[C@@H](C)[NH3+] ZINC000818556219 586899994 /nfs/dbraw/zinc/89/99/94/586899994.db2.gz BLRQSZJEEZVFFG-SKDRFNHKSA-N 1 0 235.331 1.827 20 10 BDCDRO CN1CC[N@H+](Cc2ccccc2O)CCC1=O ZINC000827359433 587378389 /nfs/dbraw/zinc/37/83/89/587378389.db2.gz NUVHWGFOXHMYII-UHFFFAOYSA-N 1 0 234.299 1.056 20 10 BDCDRO C[C@H](O)C1([NH2+]Cc2ccccc2O)CC1 ZINC000827580546 587389707 /nfs/dbraw/zinc/38/97/07/587389707.db2.gz UMBCZLKRPCNWKJ-VIFPVBQESA-N 1 0 207.273 1.395 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1O ZINC000827936908 587411111 /nfs/dbraw/zinc/41/11/11/587411111.db2.gz GFXAVRVJWSYUBU-GHMZBOCLSA-N 1 0 248.326 1.521 20 10 BDCDRO C[C@H](C(=O)N[C@@H](C)c1ccccc1O)[NH+](C)C ZINC000827959824 587413620 /nfs/dbraw/zinc/41/36/20/587413620.db2.gz GBWPHFONBHPXLS-VHSXEESVSA-N 1 0 236.315 1.520 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000832250162 587652081 /nfs/dbraw/zinc/65/20/81/587652081.db2.gz LKTKEVPOBDDNLF-LLVKDONJSA-N 1 0 219.288 1.335 20 10 BDCDRO CN(C)c1ccc([C@H]([NH3+])CNC(=O)C2CC2)cc1 ZINC000832286135 587653094 /nfs/dbraw/zinc/65/30/94/587653094.db2.gz WPKWOFLQFMSWPN-CYBMUJFWSA-N 1 0 247.342 1.279 20 10 BDCDRO C[NH2+]C1CCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000832662414 587675087 /nfs/dbraw/zinc/67/50/87/587675087.db2.gz PDXITVVVHUVEOH-UHFFFAOYSA-N 1 0 247.342 1.022 20 10 BDCDRO Nc1ccc(CCNC(=O)CCCC[NH3+])cc1 ZINC000832659303 587675183 /nfs/dbraw/zinc/67/51/83/587675183.db2.gz ZEZITCUENNMHNL-UHFFFAOYSA-N 1 0 235.331 1.057 20 10 BDCDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000834460320 587755528 /nfs/dbraw/zinc/75/55/28/587755528.db2.gz GMUMQLUXXLRPIH-PWSUYJOCSA-N 1 0 247.342 1.007 20 10 BDCDRO C[C@@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034351 587779405 /nfs/dbraw/zinc/77/94/05/587779405.db2.gz ULHSHULDTPLUJI-ZYOFXKKJSA-N 1 0 234.343 1.736 20 10 BDCDRO CC[N@H+](CCO)Cc1ccc(N(C)C)cc1C ZINC000840908261 587928647 /nfs/dbraw/zinc/92/86/47/587928647.db2.gz RDGDSXBYXVVFHC-UHFFFAOYSA-N 1 0 236.359 1.875 20 10 BDCDRO CC(C)[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841041704 587938287 /nfs/dbraw/zinc/93/82/87/587938287.db2.gz AMAYAKCGEVCWRY-ZDUSSCGKSA-N 1 0 221.348 1.750 20 10 BDCDRO Cc1cccc(CN[C@H]2CCC[NH2+]C2)c1O ZINC000841041673 587938596 /nfs/dbraw/zinc/93/85/96/587938596.db2.gz DIYYBWKVBKNBDE-LBPRGKRZSA-N 1 0 220.316 1.542 20 10 BDCDRO COCCNCC[NH2+]Cc1cc(C)ccc1O ZINC000841048031 587938838 /nfs/dbraw/zinc/93/88/38/587938838.db2.gz KCCGELJIWHWMCE-UHFFFAOYSA-N 1 0 238.331 1.026 20 10 BDCDRO COCCNCC[NH2+]Cc1cccc(C)c1O ZINC000841047491 587939167 /nfs/dbraw/zinc/93/91/67/587939167.db2.gz CNJHQJCHBKWSTH-UHFFFAOYSA-N 1 0 238.331 1.026 20 10 BDCDRO CC[C@H]([NH3+])C[NH2+]Cc1cc(C)ccc1O ZINC000841072289 587941327 /nfs/dbraw/zinc/94/13/27/587941327.db2.gz NLGKSRGEWQLZCV-NSHDSACASA-N 1 0 208.305 1.528 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1ccc(N(C)C)cc1C ZINC000841072237 587943859 /nfs/dbraw/zinc/94/38/59/587943859.db2.gz MGHCDRJXYYCUOW-CYBMUJFWSA-N 1 0 235.375 1.888 20 10 BDCDRO c1cc(CN[C@H]2CCCC[NH2+]C2)cc2c1OCC2 ZINC000841091484 587946192 /nfs/dbraw/zinc/94/61/92/587946192.db2.gz YVVGPTXZNCDOIT-AWEZNQCLSA-N 1 0 246.354 1.853 20 10 BDCDRO C[NH2+]CCCN(C)Cc1c(O)cccc1OC ZINC000841103444 587946429 /nfs/dbraw/zinc/94/64/29/587946429.db2.gz IALBHPXPGCVHCF-UHFFFAOYSA-N 1 0 238.331 1.442 20 10 BDCDRO C[C@@]1(O)C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000841758135 587974486 /nfs/dbraw/zinc/97/44/86/587974486.db2.gz DAOFVWHLHSGDGZ-COPLHBTASA-N 1 0 233.311 1.883 20 10 BDCDRO [NH3+]C1(CNC(=O)NCc2ccccc2O)CCC1 ZINC000841967070 587987208 /nfs/dbraw/zinc/98/72/08/587987208.db2.gz LYDUJPBQQAEYBA-UHFFFAOYSA-N 1 0 249.314 1.073 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842773589 588062207 /nfs/dbraw/zinc/06/22/07/588062207.db2.gz BLKJKFCFVAMJDV-VHSXEESVSA-N 1 0 237.299 1.668 20 10 BDCDRO CCOc1ccc(O)c(CN2CC[C@H]([NH3+])C2)c1 ZINC000843047379 588075730 /nfs/dbraw/zinc/07/57/30/588075730.db2.gz SLXCPEWBBIGBBS-NSHDSACASA-N 1 0 236.315 1.324 20 10 BDCDRO Cc1cccc(CN2CC[NH2+][C@H](C)[C@H]2C)c1O ZINC000843058279 588077740 /nfs/dbraw/zinc/07/77/40/588077740.db2.gz QSMRZGWLHWAIGT-VXGBXAGGSA-N 1 0 234.343 1.883 20 10 BDCDRO Oc1ccccc1CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000843055666 588077899 /nfs/dbraw/zinc/07/78/99/588077899.db2.gz MWANMJPRPMBPIP-ZDUSSCGKSA-N 1 0 232.327 1.719 20 10 BDCDRO Oc1ccccc1CN1CC[NH2+]C[C@@H]1C(F)F ZINC000843124700 588083941 /nfs/dbraw/zinc/08/39/41/588083941.db2.gz KDBNEKTUVMWCGL-SNVBAGLBSA-N 1 0 242.269 1.431 20 10 BDCDRO COc1ccc(N2CCCN(CC[NH3+])CC2)cc1 ZINC000844222015 588174084 /nfs/dbraw/zinc/17/40/84/588174084.db2.gz QHZVNRNIFZMDAG-UHFFFAOYSA-N 1 0 249.358 1.166 20 10 BDCDRO CC[C@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846171487 588259278 /nfs/dbraw/zinc/25/92/78/588259278.db2.gz SZFVJTDKMJNOGK-UWVGGRQHSA-N 1 0 239.315 1.822 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000846662823 588281590 /nfs/dbraw/zinc/28/15/90/588281590.db2.gz YGKDUIITLMRWAM-JTQLQIEISA-N 1 0 233.315 1.597 20 10 BDCDRO O=C(NCc1ccccc1O)[C@H]1CCC[NH2+]CC1 ZINC000846676873 588282014 /nfs/dbraw/zinc/28/20/14/588282014.db2.gz JWQULDXWRSFHNC-NSHDSACASA-N 1 0 248.326 1.398 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000848897370 588417868 /nfs/dbraw/zinc/41/78/68/588417868.db2.gz PSSMMIAQHZLUID-ZDUSSCGKSA-N 1 0 235.327 1.815 20 10 BDCDRO CCc1cccc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC000848890284 588417932 /nfs/dbraw/zinc/41/79/32/588417932.db2.gz RMSDREBCBMOGIO-AWEZNQCLSA-N 1 0 235.327 1.911 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000848905977 588418689 /nfs/dbraw/zinc/41/86/89/588418689.db2.gz OTRSUNDXEVTQFS-GWCFXTLKSA-N 1 0 235.327 1.910 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]C/C=C/CO)c1 ZINC000850357527 588538695 /nfs/dbraw/zinc/53/86/95/588538695.db2.gz MNURYDNZCLSPTH-ONEGZZNKSA-N 1 0 237.299 1.429 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+]C/C=C/CO)cc1 ZINC000850358045 588539105 /nfs/dbraw/zinc/53/91/05/588539105.db2.gz ZYEWQRXIXVAUCJ-ICWBMWKASA-N 1 0 246.354 1.904 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850417674 588545006 /nfs/dbraw/zinc/54/50/06/588545006.db2.gz HNLYEYVPQFKGEY-XYPYZODXSA-N 1 0 237.299 1.404 20 10 BDCDRO CON(C)CC[NH2+][C@@H](C)c1ccccc1O ZINC000850478632 588548145 /nfs/dbraw/zinc/54/81/45/588548145.db2.gz DTBWSYNXGWRMKT-JTQLQIEISA-N 1 0 224.304 1.536 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579201 588561712 /nfs/dbraw/zinc/56/17/12/588561712.db2.gz SSBAMZHCRLBOTD-OPRDCNLKSA-N 1 0 237.299 1.575 20 10 BDCDRO Cc1cccc(CN[C@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863483820 589293177 /nfs/dbraw/zinc/29/31/77/589293177.db2.gz DULUZDOYRXOHSY-AAEUAGOBSA-N 1 0 234.343 1.931 20 10 BDCDRO C[C@H]1CC[C@H](NCc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000863485285 589293466 /nfs/dbraw/zinc/29/34/66/589293466.db2.gz YGKQRBACZSRZBS-FZMZJTMJSA-N 1 0 246.354 1.852 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1cccc(F)c1O ZINC000863487673 589293672 /nfs/dbraw/zinc/29/36/72/589293672.db2.gz TZMNJFMSDUGBKX-GZMMTYOYSA-N 1 0 224.279 1.371 20 10 BDCDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1O ZINC000863546806 589297684 /nfs/dbraw/zinc/29/76/84/589297684.db2.gz MOIVOXFOUZVUIE-HOTUBEGUSA-N 1 0 238.306 1.932 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCc2cccc(O)c21 ZINC000863548038 589298462 /nfs/dbraw/zinc/29/84/62/589298462.db2.gz MZXSZUURTNGLOY-WCQGTBRESA-N 1 0 232.327 1.720 20 10 BDCDRO Cc1ccc(O)c(CNC2=[NH+]CCCN2)c1 ZINC000864356938 589355232 /nfs/dbraw/zinc/35/52/32/589355232.db2.gz RBTGIMAIODCQAB-UHFFFAOYSA-N 1 0 219.288 1.140 20 10 BDCDRO OCC1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000120342227 589404747 /nfs/dbraw/zinc/40/47/47/589404747.db2.gz FNZMIRHFEZNSHF-UHFFFAOYSA-N 1 0 227.691 1.660 20 10 BDCDRO Nc1ccc(NC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870933893 589698169 /nfs/dbraw/zinc/69/81/69/589698169.db2.gz ZTDMEHFYEQVNMX-UHFFFAOYSA-N 1 0 245.326 1.740 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988339 589707032 /nfs/dbraw/zinc/70/70/32/589707032.db2.gz MTFFTBCUXMCUJH-IVZWLZJFSA-N 1 0 236.315 1.553 20 10 BDCDRO C[S@@](=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000124176395 589958253 /nfs/dbraw/zinc/95/82/53/589958253.db2.gz JIANMAWXBVUSJN-HNNXBMFYSA-N 1 0 247.747 1.514 20 10 BDCDRO COc1ccc(C[NH2+]CC[S@](C)=O)cc1C ZINC000124198500 589960024 /nfs/dbraw/zinc/96/00/24/589960024.db2.gz VYGVACHEHFUIOT-MRXNPFEDSA-N 1 0 241.356 1.472 20 10 BDCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000124557371 590050661 /nfs/dbraw/zinc/05/06/61/590050661.db2.gz KTGPYCBWHAXBNH-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2COCCO2)c1O ZINC000124719244 590076907 /nfs/dbraw/zinc/07/69/07/590076907.db2.gz NWYFNYOQBQJJML-GFCCVEGCSA-N 1 0 237.299 1.206 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CCOCC1 ZINC000876509416 590204918 /nfs/dbraw/zinc/20/49/18/590204918.db2.gz FTGQFQVKPFAWPL-UHFFFAOYSA-N 1 0 207.273 1.533 20 10 BDCDRO CCNC(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC000876621806 590223205 /nfs/dbraw/zinc/22/32/05/590223205.db2.gz IZFLCFAEHONIPW-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1ccc(C[N@@H+](C)CC[C@H](C)O)c(O)c1 ZINC000876744763 590236086 /nfs/dbraw/zinc/23/60/86/590236086.db2.gz AQSVVNQBQSCULK-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)c(O)c1 ZINC000876743885 590236581 /nfs/dbraw/zinc/23/65/81/590236581.db2.gz KLKPLDCJNHFVNA-GXTWGEPZSA-N 1 0 246.354 1.884 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c(O)c1 ZINC000876754597 590238790 /nfs/dbraw/zinc/23/87/90/590238790.db2.gz UDEYTJKBFASBEZ-LBPRGKRZSA-N 1 0 248.326 1.363 20 10 BDCDRO CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000876766042 590239423 /nfs/dbraw/zinc/23/94/23/590239423.db2.gz ZTLOXDSJASBJHS-ZHRWSRJISA-N 1 0 245.326 1.600 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCNC1=O ZINC000876816399 590245977 /nfs/dbraw/zinc/24/59/77/590245977.db2.gz YIDGTCXQEBCHJU-LLVKDONJSA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1ccc(C[NH2+]CCC[S@](C)=O)c(O)c1 ZINC000877051945 590274915 /nfs/dbraw/zinc/27/49/15/590274915.db2.gz ONETXCLNDLPDIQ-INIZCTEOSA-N 1 0 241.356 1.559 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000877071509 590277501 /nfs/dbraw/zinc/27/75/01/590277501.db2.gz PWYXQFFJDWSXRC-WCQYABFASA-N 1 0 235.327 1.951 20 10 BDCDRO CN(C(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(N)cc1 ZINC000877077218 590278726 /nfs/dbraw/zinc/27/87/26/590278726.db2.gz ZMZJGBZCHJMWJR-LLVKDONJSA-N 1 0 247.342 1.573 20 10 BDCDRO CN(C(=O)[C@@H]1[NH2+]CC1(C)C)c1ccc(N)cc1 ZINC000877077624 590279218 /nfs/dbraw/zinc/27/92/18/590279218.db2.gz OZHRDYWUQSXPSH-NSHDSACASA-N 1 0 233.315 1.230 20 10 BDCDRO CN(C(=O)C[C@@H]([NH3+])C1CC1)c1ccc(N)cc1 ZINC000877077537 590279362 /nfs/dbraw/zinc/27/93/62/590279362.db2.gz MBMLEFOQXLSDIH-GFCCVEGCSA-N 1 0 233.315 1.359 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877143015 590291424 /nfs/dbraw/zinc/29/14/24/590291424.db2.gz YRZRQZWHMIHFNA-JTQLQIEISA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000877184001 590298418 /nfs/dbraw/zinc/29/84/18/590298418.db2.gz JYSGMWKGCRDJID-NEPJUHHUSA-N 1 0 235.327 1.903 20 10 BDCDRO C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1O ZINC000877256401 590304180 /nfs/dbraw/zinc/30/41/80/590304180.db2.gz UWJUJFSTFBSKLT-HZMBPMFUSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@H](NC(=O)C1([NH3+])CC1)c1ccccc1O ZINC000877255402 590304292 /nfs/dbraw/zinc/30/42/92/590304292.db2.gz CCUGLJRTHSHKNP-QMMMGPOBSA-N 1 0 220.272 1.061 20 10 BDCDRO CCN(C)C(=O)C[NH2+]Cc1c(C)cccc1O ZINC000877423314 590325553 /nfs/dbraw/zinc/32/55/53/590325553.db2.gz XINUWXRSCVQUEE-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1ccc(C[NH2+]CCCCO)c(O)c1 ZINC000877482587 590337334 /nfs/dbraw/zinc/33/73/34/590337334.db2.gz DBIVQXUUIPDKHN-UHFFFAOYSA-N 1 0 209.289 1.563 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c(O)c1 ZINC000877486864 590339385 /nfs/dbraw/zinc/33/93/85/590339385.db2.gz SJFSGBFRSLZZJH-CYBMUJFWSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000877494550 590340665 /nfs/dbraw/zinc/34/06/65/590340665.db2.gz YFXGHTZXHVOVFG-CQSZACIVSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1ccc(C[N@H+](C)C[C@H](O)C2CC2)c(O)c1 ZINC000877527710 590348694 /nfs/dbraw/zinc/34/86/94/590348694.db2.gz OCJLZTMYDVZNEK-AWEZNQCLSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1(N(C)C)CC1 ZINC000877594811 590369947 /nfs/dbraw/zinc/36/99/47/590369947.db2.gz ZWIHCIIKMIGHEU-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c(O)c1 ZINC000877609727 590372456 /nfs/dbraw/zinc/37/24/56/590372456.db2.gz HSBLRYUNBKLUGG-PHIMTYICSA-N 1 0 234.299 1.054 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCCC1=O ZINC000877613505 590373631 /nfs/dbraw/zinc/37/36/31/590373631.db2.gz KVBBTEAAVUJDMN-UHFFFAOYSA-N 1 0 248.326 1.413 20 10 BDCDRO CCOc1ccc(C[NH2+]C2CSC2)c(O)c1 ZINC000877635310 590380920 /nfs/dbraw/zinc/38/09/20/590380920.db2.gz LVMOWEAJIPUTOS-UHFFFAOYSA-N 1 0 239.340 1.996 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2cnn[nH]2)c(O)c1 ZINC000877649336 590384160 /nfs/dbraw/zinc/38/41/60/590384160.db2.gz UOOWIMWNYHJRFV-UHFFFAOYSA-N 1 0 218.260 1.109 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1COC1 ZINC000877657883 590385933 /nfs/dbraw/zinc/38/59/33/590385933.db2.gz KIVYGORWVXIECG-UHFFFAOYSA-N 1 0 207.273 1.437 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)c1ccccc1O ZINC000877758360 590418326 /nfs/dbraw/zinc/41/83/26/590418326.db2.gz VUSGJEOELNAOQC-WDEREUQCSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2O)C1 ZINC000127714787 590758789 /nfs/dbraw/zinc/75/87/89/590758789.db2.gz SGBABAVXEMQNQV-CMPLNLGQSA-N 1 0 248.326 1.397 20 10 BDCDRO C[C@H]([NH2+]CC[C@H]1CCNC1=O)c1ccccc1O ZINC000879650359 590843555 /nfs/dbraw/zinc/84/35/55/590843555.db2.gz WQGJEXYYLWNLPU-QWRGUYRKSA-N 1 0 248.326 1.569 20 10 BDCDRO Oc1cccc(Cl)c1C[N@H+]1CC[C@H](O)C1 ZINC000128163453 590916431 /nfs/dbraw/zinc/91/64/31/590916431.db2.gz GZXNRAUIGUCETK-QMMMGPOBSA-N 1 0 227.691 1.612 20 10 BDCDRO [NH3+][C@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000128318010 590979082 /nfs/dbraw/zinc/97/90/82/590979082.db2.gz IKIACLOQNGNAKQ-VIFPVBQESA-N 1 0 240.734 1.969 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2CC=C[C@@H]2CO)cc1 ZINC000880492139 591067605 /nfs/dbraw/zinc/06/76/05/591067605.db2.gz OCMQDRKTFLNGGV-OAHLLOKOSA-N 1 0 246.354 1.875 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2CC=C[C@H]2CO)cc1 ZINC000880492138 591069366 /nfs/dbraw/zinc/06/93/66/591069366.db2.gz OCMQDRKTFLNGGV-HNNXBMFYSA-N 1 0 246.354 1.875 20 10 BDCDRO C[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000132443253 591709994 /nfs/dbraw/zinc/70/99/94/591709994.db2.gz HQCGUVWHCJSTJV-LBPRGKRZSA-N 1 0 248.370 1.930 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884009483 591796799 /nfs/dbraw/zinc/79/67/99/591796799.db2.gz XVQLTBCKLFTYQP-LLVKDONJSA-N 1 0 219.288 1.335 20 10 BDCDRO Oc1ccc(F)cc1CN1CCC[NH2+]CC1 ZINC000219395258 592223938 /nfs/dbraw/zinc/22/39/38/592223938.db2.gz XQKYBEAAJDLBQD-UHFFFAOYSA-N 1 0 224.279 1.327 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000300046732 592501588 /nfs/dbraw/zinc/50/15/88/592501588.db2.gz ZEZXCMFAXGJTIF-GFCCVEGCSA-N 1 0 221.300 1.921 20 10 BDCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)CC[NH2+]1 ZINC000226561638 635436778 /nfs/dbraw/zinc/43/67/78/635436778.db2.gz XSMIRUOLBNEZCM-SECBINFHSA-N 1 0 224.279 1.325 20 10 BDCDRO C[C@H](CCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000096811789 635539633 /nfs/dbraw/zinc/53/96/33/635539633.db2.gz YJLFBGHWSUBCNF-MRVPVSSYSA-N 1 0 229.707 1.906 20 10 BDCDRO CN(C)c1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC000234265037 635551552 /nfs/dbraw/zinc/55/15/52/635551552.db2.gz GHFAYZIWMKDTNV-ZDUSSCGKSA-N 1 0 233.359 1.594 20 10 BDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@@H]2CNOC2)cc1 ZINC000925865125 635567084 /nfs/dbraw/zinc/56/70/84/635567084.db2.gz USXXFVPXWJNLNP-WCQYABFASA-N 1 0 249.358 1.697 20 10 BDCDRO C[C@H](C[NH3+])NCc1ccc2c(c1)CCCO2 ZINC000162066990 632507745 /nfs/dbraw/zinc/50/77/45/632507745.db2.gz HAMOAQSPXPDZFK-SNVBAGLBSA-N 1 0 220.316 1.448 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1cccc(C)c1O ZINC000162668970 633035393 /nfs/dbraw/zinc/03/53/93/633035393.db2.gz FFFXCDGDOFBEIE-LBPRGKRZSA-N 1 0 223.316 1.951 20 10 BDCDRO CC[S@@](=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000163978747 633067537 /nfs/dbraw/zinc/06/75/37/633067537.db2.gz HHEDPFKAYLNQAQ-HWPZZCPQSA-N 1 0 241.356 1.811 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)C[C@@H](C)O)c1O ZINC000164591284 633079421 /nfs/dbraw/zinc/07/94/21/633079421.db2.gz AQYRANUDWXQLOD-WDEREUQCSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C1([NH3+])CC1 ZINC000169100895 633155308 /nfs/dbraw/zinc/15/53/08/633155308.db2.gz FYRRUEUKDSCJFD-UHFFFAOYSA-N 1 0 247.342 1.169 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)O)cc1C ZINC000309936005 633961282 /nfs/dbraw/zinc/96/12/82/633961282.db2.gz ZUSGYLOKECPAIM-QWRGUYRKSA-N 1 0 223.316 1.863 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H](CO)C1CC1 ZINC000883002225 636152773 /nfs/dbraw/zinc/15/27/73/636152773.db2.gz AAMVEKBAUOWGQG-LLVKDONJSA-N 1 0 237.299 1.261 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H](CO)C1CC1 ZINC000883002226 636153144 /nfs/dbraw/zinc/15/31/44/636153144.db2.gz AAMVEKBAUOWGQG-NSHDSACASA-N 1 0 237.299 1.261 20 10 BDCDRO O=C1CC[C@@H](C[NH2+][C@@H]2CCc3cccc(O)c32)N1 ZINC000311059542 634208960 /nfs/dbraw/zinc/20/89/60/634208960.db2.gz JWOQQGTUYSUDIX-WDEREUQCSA-N 1 0 246.310 1.248 20 10 BDCDRO c1cc(CNC[C@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000259018531 635233697 /nfs/dbraw/zinc/23/36/97/635233697.db2.gz YKFVJQIKIUESHB-CYBMUJFWSA-N 1 0 232.327 1.463 20 10 BDCDRO c1cc2c(cc1CN[C@H]1CC[NH2+]C1)CCCO2 ZINC000259221132 635253746 /nfs/dbraw/zinc/25/37/46/635253746.db2.gz XNDJKYSNVMIKRJ-ZDUSSCGKSA-N 1 0 232.327 1.463 20 10 BDCDRO C[C@@H]1[C@H](C)NC(=O)[C@H](C)[N@@H+]1Cc1ccccc1O ZINC000895117518 636065677 /nfs/dbraw/zinc/06/56/77/636065677.db2.gz VQQCMSYZAWLOIH-AXFHLTTASA-N 1 0 248.326 1.490 20 10 BDCDRO CC[NH2+]CCNCc1cccc(OCC)c1O ZINC000841034585 636831202 /nfs/dbraw/zinc/83/12/02/636831202.db2.gz AEVZNDNTLYQRQI-UHFFFAOYSA-N 1 0 238.331 1.490 20 10 BDCDRO CC[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000044290859 640176085 /nfs/dbraw/zinc/17/60/85/640176085.db2.gz CJEQMCFWKBVUIX-UHFFFAOYSA-N 1 0 249.358 1.321 20 10 BDCDRO CC(C)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000083347405 640534830 /nfs/dbraw/zinc/53/48/30/640534830.db2.gz RKSDQCICOMQXJT-UHFFFAOYSA-N 1 0 213.252 1.392 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCOC1 ZINC000226617184 640779770 /nfs/dbraw/zinc/77/97/70/640779770.db2.gz TYVYAMIOPLAGBC-JTQLQIEISA-N 1 0 211.236 1.410 20 10 BDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000228356271 640872079 /nfs/dbraw/zinc/87/20/79/640872079.db2.gz QPOISAZZDOHLSD-GFCCVEGCSA-N 1 0 234.299 1.103 20 10 BDCDRO [NH3+][C@@H](CC(=O)NCc1ccccc1O)C1CC1 ZINC000228420848 640873549 /nfs/dbraw/zinc/87/35/49/640873549.db2.gz MGRQTAKDKFVERG-NSHDSACASA-N 1 0 234.299 1.136 20 10 BDCDRO [NH3+]C1(C(=O)NCc2ccccc2O)CCCC1 ZINC000228423606 640873782 /nfs/dbraw/zinc/87/37/82/640873782.db2.gz HQYJDPZUAWXDMD-UHFFFAOYSA-N 1 0 234.299 1.280 20 10 BDCDRO O=C(C[C@H]1CC[NH2+]C1)NCc1ccccc1O ZINC000228421169 640873969 /nfs/dbraw/zinc/87/39/69/640873969.db2.gz XHFZCVNFANPYQZ-SNVBAGLBSA-N 1 0 234.299 1.008 20 10 BDCDRO C[C@@]1(C(=O)NCc2ccccc2O)CC[NH2+]C1 ZINC000228420648 640874221 /nfs/dbraw/zinc/87/42/21/640874221.db2.gz LWUNGFLQLDLZNZ-CYBMUJFWSA-N 1 0 234.299 1.008 20 10 BDCDRO Oc1ccccc1CNC[C@@H]1CCC[NH2+]1 ZINC000229321433 640946021 /nfs/dbraw/zinc/94/60/21/640946021.db2.gz BLWRWDSYQPBREM-NSHDSACASA-N 1 0 206.289 1.234 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCOC1)c1ccccc1O ZINC000087783056 641036574 /nfs/dbraw/zinc/03/65/74/641036574.db2.gz SJLIJQFCALURPS-ZJUUUORDSA-N 1 0 207.273 1.832 20 10 BDCDRO CN(C)c1ccc(CN(C)C(=O)C(C)(C)[NH3+])cc1 ZINC000040923144 641539111 /nfs/dbraw/zinc/53/91/11/641539111.db2.gz CGMCZILWJFNJIF-UHFFFAOYSA-N 1 0 249.358 1.448 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@H]1O ZINC000190045145 641831054 /nfs/dbraw/zinc/83/10/54/641831054.db2.gz JKRKDOHPOANPPD-JQWIXIFHSA-N 1 0 221.300 1.595 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1cc(C)ccc1O ZINC000077452978 641857379 /nfs/dbraw/zinc/85/73/79/641857379.db2.gz PHLJZXPXXDQSRB-GFCCVEGCSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC000070955290 643086563 /nfs/dbraw/zinc/08/65/63/643086563.db2.gz YEXNBFYRFHEURT-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO Cc1ccc(O)c(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000070955775 643087610 /nfs/dbraw/zinc/08/76/10/643087610.db2.gz UVPIYEPCWUUVER-GFCCVEGCSA-N 1 0 220.316 1.624 20 10 BDCDRO COc1ccc(O)c(CN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000071309760 643122756 /nfs/dbraw/zinc/12/27/56/643122756.db2.gz BZESCHRREFKYOX-LLVKDONJSA-N 1 0 236.315 1.195 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+]CC1 ZINC000082653144 643363906 /nfs/dbraw/zinc/36/39/06/643363906.db2.gz NKCLDHQZGJNVKR-UHFFFAOYSA-N 1 0 233.359 1.466 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC1 ZINC000087784407 643674218 /nfs/dbraw/zinc/67/42/18/643674218.db2.gz NTBIMHREWYAGHS-SNVBAGLBSA-N 1 0 227.691 1.924 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922246965 643918097 /nfs/dbraw/zinc/91/80/97/643918097.db2.gz YDQJFDRTQJVWJR-CYBMUJFWSA-N 1 0 235.327 1.872 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000923003324 644228135 /nfs/dbraw/zinc/22/81/35/644228135.db2.gz FKZVXEOYSHLXLO-UMSPYCQHSA-N 1 0 221.300 1.561 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000923008726 644231906 /nfs/dbraw/zinc/23/19/06/644231906.db2.gz WDDDVDFLQXLRAK-HOMQSWHASA-N 1 0 237.299 1.261 20 10 BDCDRO Cc1cc(CN(C)[C@@H](C)C[NH3+])ccc1N(C)C ZINC000923289048 644322357 /nfs/dbraw/zinc/32/23/57/644322357.db2.gz DISMOLTYOWTDFQ-LBPRGKRZSA-N 1 0 235.375 1.840 20 10 BDCDRO Cc1cc(CN2C[C@@H](C)[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923366135 644379246 /nfs/dbraw/zinc/37/92/46/644379246.db2.gz JUERLLQJZJKZRZ-OCCSQVGLSA-N 1 0 247.386 1.840 20 10 BDCDRO Cc1cc(CN(C)CC[NH3+])ccc1N(C)C ZINC000923379501 644390811 /nfs/dbraw/zinc/39/08/11/644390811.db2.gz QBEZZJINLRQCBJ-UHFFFAOYSA-N 1 0 221.348 1.452 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1cc(F)ccc1O ZINC000094617859 644721134 /nfs/dbraw/zinc/72/11/34/644721134.db2.gz QZUUWIWSDVNAGL-ONGXEEELSA-N 1 0 238.306 1.886 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC000249873251 644743067 /nfs/dbraw/zinc/74/30/67/644743067.db2.gz GNGPUJGEVDVCBG-JOYOIKCWSA-N 1 0 239.290 1.734 20 10 BDCDRO OC[C@@H](CCF)[NH2+]Cc1cc(Cl)ccc1O ZINC000846097264 645405047 /nfs/dbraw/zinc/40/50/47/645405047.db2.gz PACUQUPJQJIXLJ-SNVBAGLBSA-N 1 0 247.697 1.856 20 10 BDCDRO OC[C@H]1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000927149184 645573185 /nfs/dbraw/zinc/57/31/85/645573185.db2.gz XBPKFBOQYPTHQL-DLOVCJGASA-N 1 0 233.311 1.740 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C1(CO)CC1 ZINC000877625578 645802126 /nfs/dbraw/zinc/80/21/26/645802126.db2.gz PQWRTMSDRPCAEX-LLVKDONJSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1N[C@@H]1CCc2cccc(O)c21 ZINC000925784379 646481318 /nfs/dbraw/zinc/48/13/18/646481318.db2.gz NCVSAWYIOCJJJA-YUSALJHKSA-N 1 0 232.327 1.577 20 10 BDCDRO CC[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(C)cc1O ZINC000925859410 646513475 /nfs/dbraw/zinc/51/34/75/646513475.db2.gz HYJNAVSXPMXGHQ-ZYHUDNBSSA-N 1 0 236.315 1.645 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C1CSC1 ZINC000701973475 712034020 /nfs/dbraw/zinc/03/40/20/712034020.db2.gz QHNIRUXMZKQYIL-UHFFFAOYSA-N 1 0 213.277 1.736 20 10 BDCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(C)ccc1O ZINC000716954077 712599572 /nfs/dbraw/zinc/59/95/72/712599572.db2.gz JHTRQQFRBZMSPQ-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]([NH3+])C(C)(C)C2)c1 ZINC000720765987 712864674 /nfs/dbraw/zinc/86/46/74/712864674.db2.gz FQYRTJCAYIEBEK-ZDUSSCGKSA-N 1 0 234.343 1.870 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]([NH3+])C1CCC1 ZINC000399006214 711418840 /nfs/dbraw/zinc/41/88/40/711418840.db2.gz YLGOELQCMSIITL-ZDUSSCGKSA-N 1 0 248.326 1.478 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCNC(=O)CC1)c1ccccc1O ZINC000396670720 711365410 /nfs/dbraw/zinc/36/54/10/711365410.db2.gz YNNYPGLOUXRISB-GHMZBOCLSA-N 1 0 248.326 1.712 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC[C@H](C)OC ZINC000726607383 711438865 /nfs/dbraw/zinc/43/88/65/711438865.db2.gz OGAIDQAXGXSQCI-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO CCOC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000382449042 711505182 /nfs/dbraw/zinc/50/51/82/711505182.db2.gz HPNOKGNRLCONMW-MNOVXSKESA-N 1 0 239.315 1.440 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000395404121 711694220 /nfs/dbraw/zinc/69/42/20/711694220.db2.gz BFNCFSKYSOZHKT-LBPRGKRZSA-N 1 0 248.326 1.302 20 10 BDCDRO Cc1ccc(C[NH2+]CC[C@@H]2CNC(=O)C2)c(O)c1 ZINC000896896856 711783291 /nfs/dbraw/zinc/78/32/91/711783291.db2.gz NYOPYVIDPLFUHX-NSHDSACASA-N 1 0 248.326 1.316 20 10 BDCDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000164763120 711825358 /nfs/dbraw/zinc/82/53/58/711825358.db2.gz OOZNTBHQRFESLJ-RYUDHWBXSA-N 1 0 221.300 1.643 20 10 BDCDRO CC[C@H]([NH2+]C)C(=O)N(C)Cc1ccccc1O ZINC000709305197 712219352 /nfs/dbraw/zinc/21/93/52/712219352.db2.gz NASPVMHXRACYAU-NSHDSACASA-N 1 0 236.315 1.349 20 10 BDCDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000712583713 712434246 /nfs/dbraw/zinc/43/42/46/712434246.db2.gz VQEXZCKVBMYMJS-GFCCVEGCSA-N 1 0 238.306 1.715 20 10 BDCDRO CCN1CC[C@@H]1C[NH2+]Cc1cccc(C)c1O ZINC000712560974 712445660 /nfs/dbraw/zinc/44/56/60/712445660.db2.gz BUJFTSZLIDNGES-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO CCCn1cc(C[NH2+]Cc2ccccc2O)nn1 ZINC000714497333 712492211 /nfs/dbraw/zinc/49/22/11/712492211.db2.gz FGBBBLVOTICJFZ-UHFFFAOYSA-N 1 0 246.314 1.684 20 10 BDCDRO COC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000036891782 712513389 /nfs/dbraw/zinc/51/33/89/712513389.db2.gz RUMIMTIWHAQXGU-SECBINFHSA-N 1 0 223.272 1.606 20 10 BDCDRO C[C@@H]([NH2+]C/C=C\CO)c1ccc(N(C)C)cc1 ZINC000717533752 712660549 /nfs/dbraw/zinc/66/05/49/712660549.db2.gz YJTDVHJFSQIZPD-QMAVJUDZSA-N 1 0 234.343 1.952 20 10 BDCDRO CC[C@H]([NH2+]C/C=C\CO)c1ccccc1O ZINC000717533782 712660734 /nfs/dbraw/zinc/66/07/34/712660734.db2.gz ZNXRWDODVZPDFP-FJOGCWAESA-N 1 0 221.300 1.981 20 10 BDCDRO C[C@@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1C ZINC000719621392 712817566 /nfs/dbraw/zinc/81/75/66/712817566.db2.gz ZVVBUEIJJDPUQL-BXKDBHETSA-N 1 0 238.306 1.714 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000720892936 712874395 /nfs/dbraw/zinc/87/43/95/712874395.db2.gz KWTYWTUJEDYGGG-JGZJWPJOSA-N 1 0 237.299 1.261 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000720893548 712876098 /nfs/dbraw/zinc/87/60/98/712876098.db2.gz NVLJHVVCVVCAMS-JGZJWPJOSA-N 1 0 237.299 1.261 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001236170054 979423115 /nfs/dbraw/zinc/42/31/15/979423115.db2.gz UJNGSKCQIWEYLC-QMMMGPOBSA-N 1 0 210.252 1.064 20 10 BDCDRO C[N@H+](CCO)Cc1c([O-])cc(F)cc1F ZINC001236254639 979471307 /nfs/dbraw/zinc/47/13/07/979471307.db2.gz CFVKPOPSJVIELU-UHFFFAOYSA-N 1 0 217.215 1.095 20 10 BDCDRO CCn1cc(C[NH2+][C@H](C)c2ccccc2O)nn1 ZINC000404505074 971171500 /nfs/dbraw/zinc/17/15/00/971171500.db2.gz LBGIEHFYDLMDPH-SNVBAGLBSA-N 1 0 246.314 1.854 20 10 BDCDRO Cc1ccc(O)c(CN2CC[C@](C)([NH3+])C2)c1 ZINC000405863291 971314409 /nfs/dbraw/zinc/31/44/09/971314409.db2.gz QGMHOMGALYFVMT-ZDUSSCGKSA-N 1 0 220.316 1.624 20 10 BDCDRO COc1cccc(CN2CC[C@@](C)([NH3+])C2)c1O ZINC000405872022 971316232 /nfs/dbraw/zinc/31/62/32/971316232.db2.gz IDLUJSCGTGWQLT-CYBMUJFWSA-N 1 0 236.315 1.324 20 10 BDCDRO Nc1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]23)cc1 ZINC001218474741 971828471 /nfs/dbraw/zinc/82/84/71/971828471.db2.gz WWTNCMYUOZXMCI-OASPWFOLSA-N 1 0 218.300 1.646 20 10 BDCDRO Oc1cccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)c1O ZINC000397864538 957854536 /nfs/dbraw/zinc/85/45/36/957854536.db2.gz ZEKBJIKFOOIGPQ-JGPRNRPPSA-N 1 0 219.284 1.986 20 10 BDCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141162883 960418216 /nfs/dbraw/zinc/41/82/16/960418216.db2.gz IZBQERWGOYHEQY-LBPRGKRZSA-N 1 0 235.283 1.651 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC(C(=O)N(C)C)C2)c1 ZINC001140620928 960466865 /nfs/dbraw/zinc/46/68/65/960466865.db2.gz HVBXKBWFCZTWNR-UHFFFAOYSA-N 1 0 248.326 1.221 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140744140 960545642 /nfs/dbraw/zinc/54/56/42/960545642.db2.gz NEABGEGJFTWXHG-LLVKDONJSA-N 1 0 237.299 1.627 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CCN(C)CC2)c1O ZINC001140741834 960546406 /nfs/dbraw/zinc/54/64/06/960546406.db2.gz DJWHYIRDRGLGLR-UHFFFAOYSA-N 1 0 236.315 1.154 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@]23CCOC3)c1O ZINC001140749967 960553029 /nfs/dbraw/zinc/55/30/29/960553029.db2.gz QGGMOSZTDUABQL-CQSZACIVSA-N 1 0 249.310 1.771 20 10 BDCDRO Cc1ccc(C[N@H+](C)CC2COC2)c(O)c1 ZINC001140950905 960759529 /nfs/dbraw/zinc/75/95/29/960759529.db2.gz OPKPORHQFKZMMI-UHFFFAOYSA-N 1 0 221.300 1.779 20 10 BDCDRO CN1CCOc2cc(C[N@@H+]3C[C@@H]4C[C@@H]4C3)ccc21 ZINC001141140371 960885738 /nfs/dbraw/zinc/88/57/38/960885738.db2.gz KZVXPDNJPRZKJN-BETUJISGSA-N 1 0 244.338 1.967 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@@H]1O ZINC001141156598 960889685 /nfs/dbraw/zinc/88/96/85/960889685.db2.gz OFKGXUMWAWJCGO-RNCFNFMXSA-N 1 0 237.299 1.301 20 10 BDCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160433 960896306 /nfs/dbraw/zinc/89/63/06/960896306.db2.gz YIDPFZHELDBJGN-SKDRFNHKSA-N 1 0 237.299 1.443 20 10 BDCDRO CO[C@@H](C)C1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141161280 960896437 /nfs/dbraw/zinc/89/64/37/960896437.db2.gz BYTZVRIGYFYXRS-VIFPVBQESA-N 1 0 237.299 1.565 20 10 BDCDRO CN(C(=O)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21)c1ccc(N)cc1 ZINC001342239427 961010587 /nfs/dbraw/zinc/01/05/87/961010587.db2.gz MNDWOHXEHWDKIZ-AGIUHOORSA-N 1 0 245.326 1.087 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2ccc(N)cc2)C1 ZINC001204801191 963655904 /nfs/dbraw/zinc/65/59/04/963655904.db2.gz LCKUDWBRSVMLPD-LBPRGKRZSA-N 1 0 205.305 1.192 20 10 BDCDRO COCC1([NH2+]Cc2cc(OC)ccc2O)CC1 ZINC000697491762 964106977 /nfs/dbraw/zinc/10/69/77/964106977.db2.gz AAUXYZQHPXIJCX-UHFFFAOYSA-N 1 0 237.299 1.669 20 10 BDCDRO CC1(C)Oc2ccc(N3CC[C@@H]([NH3+])C3)cc2O1 ZINC001164286527 965831348 /nfs/dbraw/zinc/83/13/48/965831348.db2.gz RHGKKLPJWILOCR-SECBINFHSA-N 1 0 234.299 1.731 20 10 BDCDRO COc1ccc(N2CC[C@H]([NH3+])C2)c2ccncc12 ZINC001164287725 965832728 /nfs/dbraw/zinc/83/27/28/965832728.db2.gz KHKAWWIAGQALAF-JTQLQIEISA-N 1 0 243.310 1.781 20 10 BDCDRO Nc1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235986412 966201170 /nfs/dbraw/zinc/20/11/70/966201170.db2.gz DWEULTAJFZETLV-AAEUAGOBSA-N 1 0 217.316 1.192 20 10 BDCDRO Cc1ccc(C)c(CN2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236024881 966240154 /nfs/dbraw/zinc/24/01/54/966240154.db2.gz JSTRENNLUWTDNY-BXUZGUMPSA-N 1 0 232.327 1.542 20 10 BDCDRO Cc1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236025850 966243208 /nfs/dbraw/zinc/24/32/08/966243208.db2.gz MQLAZCUNHDMXJT-AAEUAGOBSA-N 1 0 218.300 1.234 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC001236282097 966329625 /nfs/dbraw/zinc/32/96/25/966329625.db2.gz BKRSJGDKIYQYFB-RYUDHWBXSA-N 1 0 218.300 1.104 20 10 BDCDRO Cc1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@H]32)c1O ZINC001236287252 966341174 /nfs/dbraw/zinc/34/11/74/966341174.db2.gz DLWRVGGKMAUNTN-ZYHUDNBSSA-N 1 0 236.290 1.243 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)C2CC2)c1 ZINC000179690819 966415118 /nfs/dbraw/zinc/41/51/18/966415118.db2.gz IGKHGOWHEJAJRH-UHFFFAOYSA-N 1 0 207.273 1.995 20 10 BDCDRO COc1cccc(C[N@H+](C)CC2COC2)c1O ZINC001203596604 966699141 /nfs/dbraw/zinc/69/91/41/966699141.db2.gz LGRBFFYYMVJPIS-UHFFFAOYSA-N 1 0 237.299 1.479 20 10 BDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2C(C)=O)c1O ZINC001203602026 966699164 /nfs/dbraw/zinc/69/91/64/966699164.db2.gz XDJGGFSQEXOKSB-LBPRGKRZSA-N 1 0 249.310 1.954 20 10 BDCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001203621897 966711267 /nfs/dbraw/zinc/71/12/67/966711267.db2.gz JPHJEOFBBVAULV-PHIMTYICSA-N 1 0 219.284 1.853 20 10 BDCDRO Oc1ccc(C[N@H+]2CCC[C@H](O)CC2)cc1O ZINC001203875300 966806685 /nfs/dbraw/zinc/80/66/85/966806685.db2.gz KMKYDWJQKLGXHM-NSHDSACASA-N 1 0 237.299 1.445 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(CO)C2)cc1 ZINC001203929429 966823691 /nfs/dbraw/zinc/82/36/91/966823691.db2.gz CMJKZYQKMKXKPZ-HNNXBMFYSA-N 1 0 248.370 1.957 20 10 BDCDRO Oc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC001204275036 966952423 /nfs/dbraw/zinc/95/24/23/966952423.db2.gz MBXDUPXUABZDLZ-GFCCVEGCSA-N 1 0 248.326 1.378 20 10 BDCDRO CN1CC[C@H]([N@H+](C)Cc2ccc(O)cc2O)C1 ZINC001204278681 966958309 /nfs/dbraw/zinc/95/83/09/966958309.db2.gz IATHZTUFKAXFES-NSHDSACASA-N 1 0 236.315 1.234 20 10 BDCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)cc1O ZINC001204277305 966958649 /nfs/dbraw/zinc/95/86/49/966958649.db2.gz YMIQGBXUMPCNRS-PHIMTYICSA-N 1 0 247.294 1.794 20 10 BDCDRO COc1cc(C[NH+]2CCCC2)cc(O)c1O ZINC001204340200 966973113 /nfs/dbraw/zinc/97/31/13/966973113.db2.gz HIJIJWCKSZQYHM-UHFFFAOYSA-N 1 0 223.272 1.702 20 10 BDCDRO [NH3+][C@H]1CN(Cc2c(O)ccc(F)c2F)C[C@H]1F ZINC001204836241 967189737 /nfs/dbraw/zinc/18/97/37/967189737.db2.gz AZYLYQSLKRQHCD-BDAKNGLRSA-N 1 0 246.232 1.151 20 10 BDCDRO Cc1cc(C)c(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001204985068 967275750 /nfs/dbraw/zinc/27/57/50/967275750.db2.gz CZTHOEJUYSOJFO-UHFFFAOYSA-N 1 0 220.316 1.542 20 10 BDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1c(O)cccc1F ZINC001205063811 967314310 /nfs/dbraw/zinc/31/43/10/967314310.db2.gz CBUNIBDCTIZRRF-UWVGGRQHSA-N 1 0 238.306 1.843 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N)cc1 ZINC001205197653 967420961 /nfs/dbraw/zinc/42/09/61/967420961.db2.gz YDQPPRKXOWYEAJ-BXKDBHETSA-N 1 0 205.305 1.190 20 10 BDCDRO C[C@@H]1CN(Cc2c(O)ccc(F)c2F)C[C@H]1[NH3+] ZINC001206070129 968040342 /nfs/dbraw/zinc/04/03/42/968040342.db2.gz BMUXVVYPVHQUOO-GMSGAONNSA-N 1 0 242.269 1.449 20 10 BDCDRO Cc1cc(C)c(CN2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206730731 968447635 /nfs/dbraw/zinc/44/76/35/968447635.db2.gz XQUANQDEFBWPLR-UHFFFAOYSA-N 1 0 234.343 1.790 20 10 BDCDRO COC(C[N@@H+]1CCc2cccc(O)c2C1)OC ZINC001207255748 968697939 /nfs/dbraw/zinc/69/79/39/968697939.db2.gz KMADUEPDUHVFPZ-UHFFFAOYSA-N 1 0 237.299 1.369 20 10 BDCDRO CCc1cccc(C[NH2+]CC2(O)CCC2)c1O ZINC000691496189 970032305 /nfs/dbraw/zinc/03/23/05/970032305.db2.gz UZYHWAFCIYZNQE-UHFFFAOYSA-N 1 0 235.327 1.959 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCCC23CC3)c(O)c1 ZINC001144499200 972848136 /nfs/dbraw/zinc/84/81/36/972848136.db2.gz DYMOVVDSKVYFBB-UHFFFAOYSA-N 1 0 235.283 1.932 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H](F)C2)c(O)c1 ZINC001144509201 972856059 /nfs/dbraw/zinc/85/60/59/972856059.db2.gz OVAASZCFSWBFPT-MRVPVSSYSA-N 1 0 241.262 1.737 20 10 BDCDRO C[N@H+](Cc1c(O)cc(O)cc1O)[C@H]1CCOC1 ZINC001144509000 972858692 /nfs/dbraw/zinc/85/86/92/972858692.db2.gz GXTSEBFSJDGPRN-QMMMGPOBSA-N 1 0 239.271 1.024 20 10 BDCDRO C[C@@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001329120881 973494474 /nfs/dbraw/zinc/49/44/74/973494474.db2.gz BISORBNUTDYVLO-MRVPVSSYSA-N 1 0 244.285 1.501 20 10 BDCDRO COc1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173883578 975952462 /nfs/dbraw/zinc/95/24/62/975952462.db2.gz NEQJXDTYWBMKII-UHFFFAOYSA-N 1 0 216.240 1.961 20 10 BDCDRO C[NH2+]C[C@@H]1C[C@H](F)CN1Cc1ccc(N)cc1 ZINC001335289235 976929018 /nfs/dbraw/zinc/92/90/18/976929018.db2.gz LGODUJVVDMIHHA-AAEUAGOBSA-N 1 0 237.322 1.401 20 10 BDCDRO Nc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1 ZINC001336117946 977517201 /nfs/dbraw/zinc/51/72/01/977517201.db2.gz RJWUWPNDIHWMTQ-CYBMUJFWSA-N 1 0 220.316 1.928 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1O ZINC001231591282 977641420 /nfs/dbraw/zinc/64/14/20/977641420.db2.gz ZCWIDGXZBDXPQQ-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCC2)cc1Cl ZINC001232258609 977983326 /nfs/dbraw/zinc/98/33/26/977983326.db2.gz LWGGPTGMSAIXCU-UHFFFAOYSA-N 1 0 213.664 1.957 20 10 BDCDRO Nc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1 ZINC001337838769 978523890 /nfs/dbraw/zinc/52/38/90/978523890.db2.gz SYURHIBVAHDHMI-LBPRGKRZSA-N 1 0 218.300 1.226 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000773752087 978591861 /nfs/dbraw/zinc/59/18/61/978591861.db2.gz HVLWIQKJBMJONB-AWEZNQCLSA-N 1 0 248.370 1.957 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487884 978612210 /nfs/dbraw/zinc/61/22/10/978612210.db2.gz VKJROYZWZMXOAU-VIFPVBQESA-N 1 0 239.271 1.024 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCCC2)cc1O ZINC001233482229 978612337 /nfs/dbraw/zinc/61/23/37/978612337.db2.gz GAFIEVDOHKURFX-UHFFFAOYSA-N 1 0 209.245 1.399 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCSCC2)cc1O ZINC001233483489 978612860 /nfs/dbraw/zinc/61/28/60/978612860.db2.gz AUMPJFDDKJWUAF-UHFFFAOYSA-N 1 0 241.312 1.352 20 10 BDCDRO Cc1cccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235045340 978962207 /nfs/dbraw/zinc/96/22/07/978962207.db2.gz SDNDQOBMIRXBLK-QWHCGFSZSA-N 1 0 232.327 1.637 20 10 BDCDRO Oc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1O ZINC001235071805 978968030 /nfs/dbraw/zinc/96/80/30/978968030.db2.gz CTKKGFPBBSPURJ-GHMZBOCLSA-N 1 0 234.299 1.034 20 10 BDCDRO Cc1cccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235075997 978968655 /nfs/dbraw/zinc/96/86/55/978968655.db2.gz SDNDQOBMIRXBLK-CHWSQXEVSA-N 1 0 232.327 1.637 20 10 BDCDRO CC[C@H]1C[NH2+]CCN1Cc1ccc(N)cc1 ZINC001235775399 979148844 /nfs/dbraw/zinc/14/88/44/979148844.db2.gz WUTQBZFHFJFNAN-ZDUSSCGKSA-N 1 0 219.332 1.453 20 10 BDCDRO CCc1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236029526 979325669 /nfs/dbraw/zinc/32/56/69/979325669.db2.gz SSRXTUONKZFEOC-JSGCOSHPSA-N 1 0 232.327 1.488 20 10 BDCDRO C[C@@H]([NH3+])CN1CCc2cccc(O)c2C1 ZINC001236072556 979363526 /nfs/dbraw/zinc/36/35/26/979363526.db2.gz JNFQSQZHLORLHR-SECBINFHSA-N 1 0 206.289 1.098 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2c(O)ccc(F)c2F)C1 ZINC001236171345 979426663 /nfs/dbraw/zinc/42/66/63/979426663.db2.gz APIGDYWSLVJWIV-ZETCQYMHSA-N 1 0 228.242 1.203 20 10 BDCDRO [NH3+]C[C@H]1CCCN1Cc1c(O)ccc(F)c1F ZINC001236250165 979468275 /nfs/dbraw/zinc/46/82/75/979468275.db2.gz GMBWYBOTSAEGDQ-MRVPVSSYSA-N 1 0 242.269 1.594 20 10 BDCDRO Cc1ccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001236580430 979654531 /nfs/dbraw/zinc/65/45/31/979654531.db2.gz ZRAOJYKUMQMEJC-RYUDHWBXSA-N 1 0 234.343 1.883 20 10 BDCDRO CCc1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC001236784354 979731145 /nfs/dbraw/zinc/73/11/45/979731145.db2.gz VDCXAMKQISRYCH-UHFFFAOYSA-N 1 0 248.326 1.277 20 10 BDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001236790412 979741601 /nfs/dbraw/zinc/74/16/01/979741601.db2.gz WXCUDCLBFSWJJW-GFCCVEGCSA-N 1 0 235.327 1.769 20 10 BDCDRO COc1cc(C)c(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001236818966 979745457 /nfs/dbraw/zinc/74/54/57/979745457.db2.gz QRFGGZYPSNDJOO-UHFFFAOYSA-N 1 0 249.310 1.541 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1c(O)ccc(F)c1F ZINC001236904456 979792978 /nfs/dbraw/zinc/79/29/78/979792978.db2.gz ODRPNMQLJOGETG-ZETCQYMHSA-N 1 0 230.258 1.449 20 10 BDCDRO Cc1cc(F)cc(CN2CC([NH+](C)C)C2)c1O ZINC001238057148 980133594 /nfs/dbraw/zinc/13/35/94/980133594.db2.gz IXTZBYKJMNISIT-UHFFFAOYSA-N 1 0 238.306 1.586 20 10 BDCDRO Nc1ccc(CNC(=O)CC[NH2+]C2CC2)cc1 ZINC001343568203 980150238 /nfs/dbraw/zinc/15/02/38/980150238.db2.gz XOQKHUXAPZXDIA-UHFFFAOYSA-N 1 0 233.315 1.027 20 10 BDCDRO COCC1C[NH+](Cc2ccc(OC)cc2O)C1 ZINC001203621214 980254438 /nfs/dbraw/zinc/25/44/38/980254438.db2.gz PRKPHTPFHDWJRT-UHFFFAOYSA-N 1 0 237.299 1.479 20 10 BDCDRO CN(Cc1ccccc1O)c1nccnc1C[NH3+] ZINC001185838944 980284671 /nfs/dbraw/zinc/28/46/71/980284671.db2.gz UBZZVLHCMRWGCV-UHFFFAOYSA-N 1 0 244.298 1.277 20 10 BDCDRO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC001352028809 982443085 /nfs/dbraw/zinc/44/30/85/982443085.db2.gz JATWIUCUJAMEQG-HUUCEWRRSA-N 1 0 246.354 1.900 20 10 BDCDRO CO[C@H](C)C1C[NH+](Cc2ccc(O)c(O)c2)C1 ZINC001203881558 982580522 /nfs/dbraw/zinc/58/05/22/982580522.db2.gz QTYMGDSQDILWOL-SECBINFHSA-N 1 0 237.299 1.565 20 10 BDCDRO Cc1cccc(C[NH2+][C@]23C[C@H]2COC3)c1O ZINC000718054494 984380049 /nfs/dbraw/zinc/38/00/49/984380049.db2.gz XBSXVBRIHULVQS-AAEUAGOBSA-N 1 0 219.284 1.579 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(Cl)cc1O ZINC001579467399 985965110 /nfs/dbraw/zinc/96/51/10/985965110.db2.gz CAMXUKNYMZAMQT-LDYMZIIASA-N 1 0 240.734 1.743 20 10 BDCDRO CC(C)(C)[NH2+]CC(=O)N1Cc2cccc(O)c2C1 ZINC001119055718 988821534 /nfs/dbraw/zinc/82/15/34/988821534.db2.gz BXUHUTZKBUAVML-UHFFFAOYSA-N 1 0 248.326 1.623 20 10 BDCDRO Nc1ccc(CNC(=O)CC2CC[NH2+]CC2)cc1 ZINC001515332562 989027094 /nfs/dbraw/zinc/02/70/94/989027094.db2.gz KNYJMCTVSCSMRZ-UHFFFAOYSA-N 1 0 247.342 1.275 20 10 BDCDRO C[NH+](C)C1(C)CN(Cc2cc(F)ccc2O)C1 ZINC001140055445 991498523 /nfs/dbraw/zinc/49/85/23/991498523.db2.gz YRXQSKXAUPZTFL-UHFFFAOYSA-N 1 0 238.306 1.667 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCC23COC3)c1O ZINC001140182256 991555336 /nfs/dbraw/zinc/55/53/36/991555336.db2.gz MTFUTYVUBLHIOU-UHFFFAOYSA-N 1 0 233.311 1.984 20 10 BDCDRO COC[C@H](O)C[NH2+]Cc1ccc(Cl)cc1O ZINC001560787087 991603655 /nfs/dbraw/zinc/60/36/55/991603655.db2.gz JSDCCSBTFYHBQC-SNVBAGLBSA-N 1 0 245.706 1.143 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)[C@@H](C)O1 ZINC001262487802 992893895 /nfs/dbraw/zinc/89/38/95/992893895.db2.gz GKXPKUGRVLCITK-GIPNMCIBSA-N 1 0 220.316 1.924 20 10 BDCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccc(N)cc1 ZINC001263303837 993213962 /nfs/dbraw/zinc/21/39/62/993213962.db2.gz KQACLIRPVLCDML-SNVBAGLBSA-N 1 0 235.331 1.273 20 10 BDCDRO Nc1ccc(CNC(=O)C2=CCC[NH2+]CC2)cc1 ZINC001263303681 993215596 /nfs/dbraw/zinc/21/55/96/993215596.db2.gz DUJVURDGFZQXEM-UHFFFAOYSA-N 1 0 245.326 1.195 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@@H]2C)c1O ZINC000195006952 136221352 /nfs/dbraw/zinc/22/13/52/136221352.db2.gz CNFIXMGENJSMPG-CABZTGNLSA-N 1 0 248.326 1.315 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000011727391 342842751 /nfs/dbraw/zinc/84/27/51/342842751.db2.gz TWCAYHROZDSMHW-CQSZACIVSA-N 1 0 234.343 1.709 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000019904654 342962260 /nfs/dbraw/zinc/96/22/60/342962260.db2.gz VWPCASGGWYOJPE-VIFPVBQESA-N 1 0 225.288 1.525 20 10 BDCDRO CCN1CCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000019959875 342964645 /nfs/dbraw/zinc/96/46/45/342964645.db2.gz VYZFVGWSSXTIKK-ZDUSSCGKSA-N 1 0 234.343 1.966 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)C)c1ccccc1O ZINC000036794364 343324169 /nfs/dbraw/zinc/32/41/69/343324169.db2.gz CQIVYBDWPLYURD-ZJUUUORDSA-N 1 0 236.315 1.520 20 10 BDCDRO CC[C@H]([NH2+]C[C@@H](C)O)c1ccccc1O ZINC000035601759 187258167 /nfs/dbraw/zinc/25/81/67/187258167.db2.gz GLPQHFJETHNBNS-KOLCDFICSA-N 1 0 209.289 1.814 20 10 BDCDRO CN(C)c1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000040429879 343402266 /nfs/dbraw/zinc/40/22/66/343402266.db2.gz KGQCVPRKMQGKOJ-CYBMUJFWSA-N 1 0 247.342 1.121 20 10 BDCDRO CC(C)C[C@H](CO)[NH2+]Cc1ccccc1O ZINC000040773563 187264244 /nfs/dbraw/zinc/26/42/44/187264244.db2.gz UEAXEJFRXDNORT-GFCCVEGCSA-N 1 0 223.316 1.889 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCCCCO)c1 ZINC000083352854 187284215 /nfs/dbraw/zinc/28/42/15/187284215.db2.gz RWSJVVZKUBECCF-UHFFFAOYSA-N 1 0 223.316 1.953 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCO)c1 ZINC000035628920 178804154 /nfs/dbraw/zinc/80/41/54/178804154.db2.gz SKGOBVOLVAGQKA-JTQLQIEISA-N 1 0 209.289 1.734 20 10 BDCDRO CCC[N@H+](CC(N)=O)Cc1ccccc1O ZINC000060378116 345772275 /nfs/dbraw/zinc/77/22/75/345772275.db2.gz VEPXPZNZQOKMMO-UHFFFAOYSA-N 1 0 222.288 1.090 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@H](O)C2)c1 ZINC000188839871 187312390 /nfs/dbraw/zinc/31/23/90/187312390.db2.gz SEALPYKZKNKIRV-AAEUAGOBSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1O ZINC000183374410 179077053 /nfs/dbraw/zinc/07/70/53/179077053.db2.gz BBTFGSMVRPAYQQ-LBPRGKRZSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(C[NH+]2CCN(C3CC3)CC2)c1O ZINC000179670568 179076662 /nfs/dbraw/zinc/07/66/62/179076662.db2.gz OVSWECXSEQQFER-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1cccc(C[NH2+]Cc2cnnn2C)c1O ZINC000289244901 179096239 /nfs/dbraw/zinc/09/62/39/179096239.db2.gz ANMMQYVQRWVYPV-UHFFFAOYSA-N 1 0 232.287 1.119 20 10 BDCDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccccc1O ZINC000207538121 348776400 /nfs/dbraw/zinc/77/64/00/348776400.db2.gz WHJPLZJRKJLOTE-LBPRGKRZSA-N 1 0 223.316 1.889 20 10 BDCDRO Cc1cccc2c1CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637962792 351837620 /nfs/dbraw/zinc/83/76/20/351837620.db2.gz OZFTYXJMSKFWGG-LBPRGKRZSA-N 1 0 242.322 1.932 20 10 BDCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCc3c2cccc3F)C1 ZINC000638282050 352120320 /nfs/dbraw/zinc/12/03/20/352120320.db2.gz XKENLVIFNAGAAJ-SNVBAGLBSA-N 1 0 246.285 1.762 20 10 BDCDRO CC[N@H+](Cc1cc(OC)ccc1O)[C@H](C)CO ZINC000292678206 352326707 /nfs/dbraw/zinc/32/67/07/352326707.db2.gz ALUABBIVVCQILI-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000155066235 181281130 /nfs/dbraw/zinc/28/11/30/181281130.db2.gz AXLMESDZKPNYKB-NSHDSACASA-N 1 0 234.299 1.090 20 10 BDCDRO OCCCCC[NH2+]Cc1cc(F)ccc1O ZINC000083355412 183046976 /nfs/dbraw/zinc/04/69/76/183046976.db2.gz DKBABUFBXROPID-UHFFFAOYSA-N 1 0 227.279 1.784 20 10 BDCDRO OC[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000164784535 183121256 /nfs/dbraw/zinc/12/12/56/183121256.db2.gz CCQPFHFRXMZFKI-NSHDSACASA-N 1 0 207.273 1.349 20 10 BDCDRO O[C@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000188849957 183242686 /nfs/dbraw/zinc/24/26/86/183242686.db2.gz TWVHGIWHVVOUHV-JSGCOSHPSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCc1cn[nH]c1 ZINC000291692305 183275440 /nfs/dbraw/zinc/27/54/40/183275440.db2.gz YFYNLRRCHBEDCE-UHFFFAOYSA-N 1 0 235.262 1.587 20 10 BDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H](C)[NH3+] ZINC000156729646 169177394 /nfs/dbraw/zinc/17/73/94/169177394.db2.gz CKYQCISBHPCOCP-JTQLQIEISA-N 1 0 236.315 1.478 20 10 BDCDRO CCC[N@H+](CCO)Cc1cccc(OC)c1O ZINC000161222010 169166332 /nfs/dbraw/zinc/16/63/32/169166332.db2.gz WKMXEDXHNZFUNH-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO CCC[N@H+](CCO)Cc1cc(OC)ccc1O ZINC000271823052 169167317 /nfs/dbraw/zinc/16/73/17/169167317.db2.gz PONQKHNJLWIEJH-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO c1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc2c1OCC2 ZINC000367583889 183367781 /nfs/dbraw/zinc/36/77/81/183367781.db2.gz GGLBSLXJQSLXKL-ZSOGYDGISA-N 1 0 245.322 1.604 20 10 BDCDRO c1cc(C[NH2+]C[C@@H]2CCCO2)cc2c1OCC2 ZINC000001503075 183367878 /nfs/dbraw/zinc/36/78/78/183367878.db2.gz IEYPWNCLKNXLKY-ZDUSSCGKSA-N 1 0 233.311 1.890 20 10 BDCDRO CCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042878975 169266861 /nfs/dbraw/zinc/26/68/61/169266861.db2.gz GHGMUFJAQXSIRZ-UHFFFAOYSA-N 1 0 209.245 1.621 20 10 BDCDRO CCN(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295831053 383858198 /nfs/dbraw/zinc/85/81/98/383858198.db2.gz DXNKFJJWHPHDME-LBPRGKRZSA-N 1 0 234.343 1.921 20 10 BDCDRO CCOCC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035151404 383833172 /nfs/dbraw/zinc/83/31/72/383833172.db2.gz WWRIACCEZVVLBD-UHFFFAOYSA-N 1 0 222.332 1.879 20 10 BDCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C ZINC000036794363 383911147 /nfs/dbraw/zinc/91/11/47/383911147.db2.gz CQIVYBDWPLYURD-UWVGGRQHSA-N 1 0 236.315 1.520 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCCNC2=O)c1 ZINC000071407442 384165451 /nfs/dbraw/zinc/16/54/51/384165451.db2.gz AMBMKQXXHNFUFY-GFCCVEGCSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC(=O)NC2CC2)c1 ZINC000071407084 384166221 /nfs/dbraw/zinc/16/62/21/384166221.db2.gz LXBQVPQUTCPLNY-UHFFFAOYSA-N 1 0 234.299 1.069 20 10 BDCDRO CN(C)CC1([NH2+]Cc2ccccc2O)CCC1 ZINC000282286435 384211170 /nfs/dbraw/zinc/21/11/70/384211170.db2.gz QUGCRIGMLRFCIE-UHFFFAOYSA-N 1 0 234.343 1.966 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000133009132 384266091 /nfs/dbraw/zinc/26/60/91/384266091.db2.gz VQZHUPKVSXKXMG-UHFFFAOYSA-N 1 0 236.315 1.396 20 10 BDCDRO C[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000120226314 384340390 /nfs/dbraw/zinc/34/03/90/384340390.db2.gz XYHOMXZXRWNVOJ-CQSZACIVSA-N 1 0 233.311 1.890 20 10 BDCDRO C[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000120226187 384341938 /nfs/dbraw/zinc/34/19/38/384341938.db2.gz XYHOMXZXRWNVOJ-AWEZNQCLSA-N 1 0 233.311 1.890 20 10 BDCDRO COC[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000044477937 384333332 /nfs/dbraw/zinc/33/33/32/384333332.db2.gz UEBMIUFERKQLFF-NSHDSACASA-N 1 0 235.327 1.994 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CO)c1 ZINC000035629073 384417610 /nfs/dbraw/zinc/41/76/10/384417610.db2.gz RIBKYERJTKUHEX-VHSXEESVSA-N 1 0 209.289 1.732 20 10 BDCDRO C[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000078781345 384464811 /nfs/dbraw/zinc/46/48/11/384464811.db2.gz NXGVFVHKMDZECA-JTQLQIEISA-N 1 0 221.300 1.482 20 10 BDCDRO C[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000096811638 384480689 /nfs/dbraw/zinc/48/06/89/384480689.db2.gz KTIRRCPSZPBDNN-JTQLQIEISA-N 1 0 221.300 1.482 20 10 BDCDRO C[C@H]([NH2+]CCOCCO)c1ccccc1O ZINC000020198667 384595505 /nfs/dbraw/zinc/59/55/05/384595505.db2.gz PBTPIRZNGQDKSH-JTQLQIEISA-N 1 0 225.288 1.052 20 10 BDCDRO CC(C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000082687417 384704776 /nfs/dbraw/zinc/70/47/76/384704776.db2.gz FBEBITVFFWURSP-UHFFFAOYSA-N 1 0 221.300 1.482 20 10 BDCDRO CN(C)C(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000102675119 384721491 /nfs/dbraw/zinc/72/14/91/384721491.db2.gz BPEXYJDRDCUKRF-UHFFFAOYSA-N 1 0 249.358 1.273 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)CO)c1 ZINC000125739673 384744295 /nfs/dbraw/zinc/74/42/95/384744295.db2.gz FMOWYZNUCORAEH-MNOVXSKESA-N 1 0 223.316 1.807 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](CC)CO)c1 ZINC000186523725 384851369 /nfs/dbraw/zinc/85/13/69/384851369.db2.gz ZBDBDWIWVYJSED-NSHDSACASA-N 1 0 239.315 1.651 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)C[S@](C)=O)c1O ZINC000164410170 384982449 /nfs/dbraw/zinc/98/24/49/384982449.db2.gz XZLIAZLAGMVDIL-QLJPJBMISA-N 1 0 241.356 1.557 20 10 BDCDRO C[C@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000164490576 384998679 /nfs/dbraw/zinc/99/86/79/384998679.db2.gz LAYSUMWEBRFCOO-LSYCYVAJSA-N 1 0 241.356 1.810 20 10 BDCDRO C[C@H](CCCO)C[NH2+]Cc1ccccc1O ZINC000294923799 385311910 /nfs/dbraw/zinc/31/19/10/385311910.db2.gz YXSXZNNHFBFAGS-LLVKDONJSA-N 1 0 223.316 1.890 20 10 BDCDRO COC(=O)C(C)(C)C[NH2+]Cc1ccccc1O ZINC000167059477 385296133 /nfs/dbraw/zinc/29/61/33/385296133.db2.gz AGGWFZPEEZYJNP-UHFFFAOYSA-N 1 0 237.299 1.681 20 10 BDCDRO Nc1ccc(CCNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000131836892 385364828 /nfs/dbraw/zinc/36/48/28/385364828.db2.gz GHLSLZKBCURNCB-CYBMUJFWSA-N 1 0 247.342 1.070 20 10 BDCDRO COC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179555078 385472364 /nfs/dbraw/zinc/47/23/64/385472364.db2.gz VUTHKMSGQMVWDT-LBPRGKRZSA-N 1 0 249.310 1.777 20 10 BDCDRO Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]CC2)cc1 ZINC000364498369 385473399 /nfs/dbraw/zinc/47/33/99/385473399.db2.gz XASFBYMEXIBNSR-LLVKDONJSA-N 1 0 247.342 1.987 20 10 BDCDRO COCC[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000172071662 385547476 /nfs/dbraw/zinc/54/74/76/385547476.db2.gz XIOIXXWZDCFNRQ-ZDUSSCGKSA-N 1 0 239.315 1.269 20 10 BDCDRO C[C@]1(C(=O)Nc2ccc(N)cc2)CCCC[NH2+]1 ZINC000180895592 385554824 /nfs/dbraw/zinc/55/48/24/385554824.db2.gz LJVSZEVUZQHMNY-CYBMUJFWSA-N 1 0 233.315 1.740 20 10 BDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(F)ccc1O ZINC000230392608 385735665 /nfs/dbraw/zinc/73/56/65/385735665.db2.gz ZPIWGRUCNZTYCG-PWJLMRLQSA-N 1 0 245.319 1.388 20 10 BDCDRO C[C@H](C[S@](C)=O)[N@H+](C)Cc1ccccc1O ZINC000185225763 385724553 /nfs/dbraw/zinc/72/45/53/385724553.db2.gz ZTYJFTVAIDKKCO-HWPZZCPQSA-N 1 0 241.356 1.591 20 10 BDCDRO C[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccccc1O ZINC000272864234 385946090 /nfs/dbraw/zinc/94/60/90/385946090.db2.gz NLFPUZFQVHALLO-QWRGUYRKSA-N 1 0 246.314 1.723 20 10 BDCDRO C[C@@H](O)C(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000226618403 386344916 /nfs/dbraw/zinc/34/49/16/386344916.db2.gz LTXTZZCFPXLWFP-MRVPVSSYSA-N 1 0 227.279 1.780 20 10 BDCDRO C[C@H](CCO)C[NH2+]Cc1cc(F)ccc1O ZINC000226612578 386345560 /nfs/dbraw/zinc/34/55/60/386345560.db2.gz KNSLVBRWMDSYDU-SECBINFHSA-N 1 0 227.279 1.639 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1 ZINC000368135266 386946929 /nfs/dbraw/zinc/94/69/29/386946929.db2.gz PDZODWCSPJRYLS-NSHDSACASA-N 1 0 248.326 1.398 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCOC1 ZINC000111235624 387366383 /nfs/dbraw/zinc/36/63/83/387366383.db2.gz FQXUJVDNVKZTOZ-LLVKDONJSA-N 1 0 221.300 1.861 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+]CC1COC1 ZINC000527818962 387709865 /nfs/dbraw/zinc/70/98/65/387709865.db2.gz WGTZQGVSRRBZBM-UHFFFAOYSA-N 1 0 227.691 1.782 20 10 BDCDRO CCOCC[NH2+]Cc1cccc(C)c1O ZINC000163728485 387911406 /nfs/dbraw/zinc/91/14/06/387911406.db2.gz SQTNOASMQJRJCA-UHFFFAOYSA-N 1 0 209.289 1.827 20 10 BDCDRO c1nnc(CC[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000080574367 387998519 /nfs/dbraw/zinc/99/85/19/387998519.db2.gz VDPKXOAMTRQUSF-UHFFFAOYSA-N 1 0 244.298 1.072 20 10 BDCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccccc1O ZINC000164253976 388183168 /nfs/dbraw/zinc/18/31/68/388183168.db2.gz KGQWHRSITWNHOZ-VFZGTOFNSA-N 1 0 227.329 1.249 20 10 BDCDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1ccccc1O ZINC000164253761 388183582 /nfs/dbraw/zinc/18/35/82/388183582.db2.gz KGQWHRSITWNHOZ-BJOHPYRUSA-N 1 0 227.329 1.249 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367573420 388565524 /nfs/dbraw/zinc/56/55/24/388565524.db2.gz HMCCNUJZIIMKRI-XYYAHUGASA-N 1 0 233.311 1.683 20 10 BDCDRO CC[N@H+](CCCO)Cc1cc(F)ccc1O ZINC000272292938 397976911 /nfs/dbraw/zinc/97/69/11/397976911.db2.gz OMHWAZNQMYAKDL-UHFFFAOYSA-N 1 0 227.279 1.736 20 10 BDCDRO C[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000090739540 410009266 /nfs/dbraw/zinc/00/92/66/410009266.db2.gz DGFFMEFEACGOCV-SSDOTTSWSA-N 1 0 215.680 1.516 20 10 BDCDRO CC(C)NC(=O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295877319 167061763 /nfs/dbraw/zinc/06/17/63/167061763.db2.gz HKERMEBCLLAXRG-LLVKDONJSA-N 1 0 248.326 1.494 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000162826662 171185057 /nfs/dbraw/zinc/18/50/57/171185057.db2.gz LIYTZXCMCSFIPX-CYBMUJFWSA-N 1 0 223.316 1.951 20 10 BDCDRO C[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000139745933 173086303 /nfs/dbraw/zinc/08/63/03/173086303.db2.gz PSCPIMOPTIOHAF-UHFFFAOYSA-N 1 0 224.279 1.279 20 10 BDCDRO C[NH+]1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000082306180 173086870 /nfs/dbraw/zinc/08/68/70/173086870.db2.gz GPZFTHSNSQIGTO-UHFFFAOYSA-N 1 0 240.734 1.793 20 10 BDCDRO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000133042699 173305923 /nfs/dbraw/zinc/30/59/23/173305923.db2.gz BBMNPYSGKVEWLD-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO C[NH2+]CCCC(=O)N(C)Cc1ccccc1O ZINC000037823781 173343353 /nfs/dbraw/zinc/34/33/53/173343353.db2.gz JPBDLTOBAJDHFV-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO COCCCC[NH2+]Cc1cccc(OC)c1O ZINC000044655544 174200808 /nfs/dbraw/zinc/20/08/08/174200808.db2.gz KTBZANAOSQMAHK-UHFFFAOYSA-N 1 0 239.315 1.917 20 10 BDCDRO COCC[N@H+](C)Cc1cccc(OC)c1O ZINC000132707986 174281229 /nfs/dbraw/zinc/28/12/29/174281229.db2.gz WFCZDYAJNZBWSD-UHFFFAOYSA-N 1 0 225.288 1.479 20 10 BDCDRO COCC[N@H+](CCO)Cc1cccc(C)c1O ZINC000271751097 174293083 /nfs/dbraw/zinc/29/30/83/174293083.db2.gz VKBZDMXKZCDFKR-UHFFFAOYSA-N 1 0 239.315 1.141 20 10 BDCDRO COCC[NH2+]Cc1cc(Cl)cc(OC)c1O ZINC000076274270 174334998 /nfs/dbraw/zinc/33/49/98/174334998.db2.gz PQWFXDVVWDLROE-UHFFFAOYSA-N 1 0 245.706 1.790 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2c[nH]nc2C)c1 ZINC000038011222 175158555 /nfs/dbraw/zinc/15/85/55/175158555.db2.gz QTSGLRZVZPWXOR-UHFFFAOYSA-N 1 0 247.298 1.722 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC2=CCCOC2)c1 ZINC000127310492 175159027 /nfs/dbraw/zinc/15/90/27/175159027.db2.gz LTHUMPMHHNXDSC-UHFFFAOYSA-N 1 0 249.310 1.837 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000085983765 175160494 /nfs/dbraw/zinc/16/04/94/175160494.db2.gz HXWSWCHZYGUJAC-VHSXEESVSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)[C@H](C)CO)c1O ZINC000077421974 175266903 /nfs/dbraw/zinc/26/69/03/175266903.db2.gz YNSVVNCQDGCUAB-ZJUUUORDSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2CCSC2)c1O ZINC000230705120 175267888 /nfs/dbraw/zinc/26/78/88/175267888.db2.gz DNFGJJUHIMLMBY-JTQLQIEISA-N 1 0 239.340 1.996 20 10 BDCDRO C[C@H](Cn1cccn1)[NH2+]Cc1cc(F)ccc1O ZINC000226584453 176730758 /nfs/dbraw/zinc/73/07/58/176730758.db2.gz HIOGFBIBMFTSDS-SNVBAGLBSA-N 1 0 249.289 1.906 20 10 BDCDRO C[C@H](O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297542399 487821256 /nfs/dbraw/zinc/82/12/56/487821256.db2.gz FCNZENBVOXVPQQ-ONGXEEELSA-N 1 0 221.300 1.740 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC1COC1 ZINC000529674110 324375925 /nfs/dbraw/zinc/37/59/25/324375925.db2.gz LFXBYXCAWDIANZ-UHFFFAOYSA-N 1 0 211.236 1.267 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H]1CCOC1 ZINC000127042852 491132134 /nfs/dbraw/zinc/13/21/34/491132134.db2.gz UKCTUNZLCHDHGP-PWSUYJOCSA-N 1 0 221.300 1.907 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1cc(C)ccc1O ZINC000853248808 588728755 /nfs/dbraw/zinc/72/87/55/588728755.db2.gz KFTWFVRKFDDYTF-SNVBAGLBSA-N 1 0 208.305 1.398 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(F)cc1O ZINC000854231097 588781648 /nfs/dbraw/zinc/78/16/48/588781648.db2.gz DTCFXQOFXRBPGM-BDAKNGLRSA-N 1 0 226.295 1.790 20 10 BDCDRO C[C@@H](NC(=O)NCCC[NH3+])c1ccccc1O ZINC000891986496 582753110 /nfs/dbraw/zinc/75/31/10/582753110.db2.gz RBPRVDJTBCBZLC-SECBINFHSA-N 1 0 237.303 1.101 20 10 BDCDRO Nc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000856995206 588881967 /nfs/dbraw/zinc/88/19/67/588881967.db2.gz RKEGMXKWRNJJGP-NSHDSACASA-N 1 0 247.342 1.987 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CCO)c1O ZINC000894284640 583410224 /nfs/dbraw/zinc/41/02/24/583410224.db2.gz RQUOAELJMMKPJE-JTQLQIEISA-N 1 0 239.315 1.570 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COCO2)cc1 ZINC000894868902 583539112 /nfs/dbraw/zinc/53/91/12/583539112.db2.gz NOLBDLRGXJUIJH-CYBMUJFWSA-N 1 0 236.315 1.215 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1COCO1 ZINC000894873982 583541082 /nfs/dbraw/zinc/54/10/82/583541082.db2.gz UQAZLSUMFZIKIP-QMMMGPOBSA-N 1 0 243.690 1.508 20 10 BDCDRO CC1=NO[C@@H](C[NH2+]Cc2ccc(C)cc2O)C1 ZINC000895302963 583644773 /nfs/dbraw/zinc/64/47/73/583644773.db2.gz XZFXGRXGLJFPSI-GFCCVEGCSA-N 1 0 234.299 1.955 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895655205 583701322 /nfs/dbraw/zinc/70/13/22/583701322.db2.gz UYCMPVIYGBNEDV-TZMCWYRMSA-N 1 0 233.311 1.521 20 10 BDCDRO C[C@@]1(O)C[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841892336 583709124 /nfs/dbraw/zinc/70/91/24/583709124.db2.gz XSMUGOAHBGLRCS-KLPPZKSPSA-N 1 0 225.263 1.534 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C)[C@H]1C ZINC000896554150 583811526 /nfs/dbraw/zinc/81/15/26/583811526.db2.gz HUTFHRYRMHGEJO-AAEUAGOBSA-N 1 0 234.343 1.883 20 10 BDCDRO CN1C[C@@H]([N@H+](C)Cc2ccccc2O)CCC1=O ZINC000862429002 583962594 /nfs/dbraw/zinc/96/25/94/583962594.db2.gz ZIUWNUDJQDSKQT-LBPRGKRZSA-N 1 0 248.326 1.445 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000897681306 584039569 /nfs/dbraw/zinc/03/95/69/584039569.db2.gz QTPLAMHWUUHTPT-PRHODGIISA-N 1 0 225.263 1.344 20 10 BDCDRO COc1cccc(O)c1C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897684683 584039997 /nfs/dbraw/zinc/03/99/97/584039997.db2.gz VDMZRTZDZTXBSP-CABZTGNLSA-N 1 0 237.299 1.213 20 10 BDCDRO CCC[NH2+]CCNCc1cccc(F)c1O ZINC000841046722 584124418 /nfs/dbraw/zinc/12/44/18/584124418.db2.gz LSAYTHXHWFDISR-UHFFFAOYSA-N 1 0 226.295 1.621 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccccc1O ZINC000841059061 584125771 /nfs/dbraw/zinc/12/57/71/584125771.db2.gz LHRFRMQUBYLLIB-PWSUYJOCSA-N 1 0 220.316 1.480 20 10 BDCDRO C[C@@H](NCC1([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000902417545 584590986 /nfs/dbraw/zinc/59/09/86/584590986.db2.gz SOSLMENBZHGGKN-LLVKDONJSA-N 1 0 233.359 1.895 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1N[C@@H]1CCc2cccc(O)c21 ZINC000902446226 584594237 /nfs/dbraw/zinc/59/42/37/584594237.db2.gz SSAZZMAUXADVQM-DGCLKSJQSA-N 1 0 246.354 1.967 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@H](C)[C@H](C)[NH3+] ZINC000841076957 584764557 /nfs/dbraw/zinc/76/45/57/584764557.db2.gz UUCLIABKEAKQTN-NWDGAFQWSA-N 1 0 235.375 1.886 20 10 BDCDRO CN(C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(N)cc1 ZINC000903473950 584776585 /nfs/dbraw/zinc/77/65/85/584776585.db2.gz CONOBOFACZDONW-PWSUYJOCSA-N 1 0 219.332 1.832 20 10 BDCDRO CN(Cc1ccccc1O)C[C@H]([NH3+])CC(F)F ZINC000903884922 584819217 /nfs/dbraw/zinc/81/92/17/584819217.db2.gz HYQOUIGODYEGSR-SNVBAGLBSA-N 1 0 244.285 1.807 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1c(O)cccc1Cl ZINC000903960595 584828332 /nfs/dbraw/zinc/82/83/32/584828332.db2.gz QLBBTOJBKPUCMN-LDYMZIIASA-N 1 0 240.734 1.743 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2CC[NH2+]C2(C)C)c1 ZINC000841085451 584883493 /nfs/dbraw/zinc/88/34/93/584883493.db2.gz CQHUCOPUYZPXJP-CYBMUJFWSA-N 1 0 234.343 1.931 20 10 BDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@H]2O)CC1CC1 ZINC000768443866 585538829 /nfs/dbraw/zinc/53/88/29/585538829.db2.gz VLPMLVLWMJPDGX-CYBMUJFWSA-N 1 0 249.310 1.660 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)cc1 ZINC000773819061 585644643 /nfs/dbraw/zinc/64/46/43/585644643.db2.gz OBLFKLCHNAKRMB-DOMZBBRYSA-N 1 0 248.370 1.955 20 10 BDCDRO COC(=O)CC1([NH2+]Cc2ccccc2O)CCC1 ZINC000779110695 585745113 /nfs/dbraw/zinc/74/51/13/585745113.db2.gz DDVPCNMNNNPGLK-UHFFFAOYSA-N 1 0 249.310 1.968 20 10 BDCDRO CCOc1ccc(C[NH2+]CCCCO)c(O)c1 ZINC000785534888 585875242 /nfs/dbraw/zinc/87/52/42/585875242.db2.gz PKVZILFKQVJVBT-UHFFFAOYSA-N 1 0 239.315 1.653 20 10 BDCDRO CNC(=O)[C@@H]([NH2+]Cc1ccccc1O)C(C)C ZINC000785590061 585876315 /nfs/dbraw/zinc/87/63/15/585876315.db2.gz XARTZXGLLWLCOD-LBPRGKRZSA-N 1 0 236.315 1.252 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)[C@H](C)CO ZINC000809745132 586516692 /nfs/dbraw/zinc/51/66/92/586516692.db2.gz DDOOZHSCTKEYTQ-SECBINFHSA-N 1 0 225.288 1.213 20 10 BDCDRO Cc1cccc(C[N@H+](C)C[C@@H](O)C2CC2)c1O ZINC000809753134 586517985 /nfs/dbraw/zinc/51/79/85/586517985.db2.gz ZTMOTTLEOGNJLE-CYBMUJFWSA-N 1 0 235.327 1.903 20 10 BDCDRO C[N@H+](CC(N)=O)Cc1ccc2ccccc2c1O ZINC000816484602 586736357 /nfs/dbraw/zinc/73/63/57/586736357.db2.gz IQWYJEOWHUXCNF-UHFFFAOYSA-N 1 0 244.294 1.463 20 10 BDCDRO C[C@@H](NCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]1 ZINC000817902853 586836022 /nfs/dbraw/zinc/83/60/22/586836022.db2.gz ZNNRTBVTYNACIH-BXUZGUMPSA-N 1 0 246.354 1.852 20 10 BDCDRO C[C@H](NCc1ccc2c(c1)CCO2)[C@H]1CCC[NH2+]1 ZINC000817902856 586836056 /nfs/dbraw/zinc/83/60/56/586836056.db2.gz ZNNRTBVTYNACIH-SMDDNHRTSA-N 1 0 246.354 1.852 20 10 BDCDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944564 586845786 /nfs/dbraw/zinc/84/57/86/586845786.db2.gz GZWQSMVUSHXFHV-VHSXEESVSA-N 1 0 206.289 1.405 20 10 BDCDRO CC[C@@H](NC1C[NH2+]C1)c1ccc(F)cc1O ZINC000817955665 586847053 /nfs/dbraw/zinc/84/70/53/586847053.db2.gz DTUTWYCORSDCEH-LLVKDONJSA-N 1 0 224.279 1.544 20 10 BDCDRO C[NH2+]CCN[C@@H]1CCc2cccc(O)c21 ZINC000817952650 586848958 /nfs/dbraw/zinc/84/89/58/586848958.db2.gz RZBKCELBNXOGHL-SNVBAGLBSA-N 1 0 206.289 1.189 20 10 BDCDRO C[C@@H](NC1C[NH2+]C1)c1cc(Cl)ccc1O ZINC000817955482 586849637 /nfs/dbraw/zinc/84/96/37/586849637.db2.gz BWTODNNLFXBEDZ-SSDOTTSWSA-N 1 0 226.707 1.668 20 10 BDCDRO C[C@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955712 586850119 /nfs/dbraw/zinc/85/01/19/586850119.db2.gz FVJZTQWWVDJCDW-SMDDNHRTSA-N 1 0 233.359 1.351 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)[C@@H](C)O1 ZINC000817956794 586850842 /nfs/dbraw/zinc/85/08/42/586850842.db2.gz DBVJPFMIXBEELH-GYSYKLTISA-N 1 0 234.343 1.967 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000818230558 586880654 /nfs/dbraw/zinc/88/06/54/586880654.db2.gz GNQJYOIZGPWTSW-LPUOJRKPSA-N 1 0 246.354 1.879 20 10 BDCDRO Nc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000818556354 586900716 /nfs/dbraw/zinc/90/07/16/586900716.db2.gz NUDHFZVVAADHJO-UHFFFAOYSA-N 1 0 233.315 1.726 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000822503366 587172260 /nfs/dbraw/zinc/17/22/60/587172260.db2.gz GZIWJRNCVHGBBU-ZYHUDNBSSA-N 1 0 223.272 1.014 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C2(CO)CC2)cc1Cl ZINC000825436669 587319437 /nfs/dbraw/zinc/31/94/37/587319437.db2.gz ZFTLVJNBCMEXHV-UHFFFAOYSA-N 1 0 241.718 1.969 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CCNC1=O ZINC000826774668 587361961 /nfs/dbraw/zinc/36/19/61/587361961.db2.gz XPAOCLQLQFIBTK-ZDUSSCGKSA-N 1 0 247.342 1.039 20 10 BDCDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000827284722 587375238 /nfs/dbraw/zinc/37/52/38/587375238.db2.gz VWWDKNPTSINGSL-GXTWGEPZSA-N 1 0 233.311 1.861 20 10 BDCDRO C[C@]12COC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000827284724 587375330 /nfs/dbraw/zinc/37/53/30/587375330.db2.gz VWWDKNPTSINGSL-OCCSQVGLSA-N 1 0 233.311 1.861 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCCN(C=O)CC2)c1 ZINC000827872496 587406160 /nfs/dbraw/zinc/40/61/60/587406160.db2.gz VYCBJVZOCJEVTF-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO C[C@H](O)C[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835034345 587779468 /nfs/dbraw/zinc/77/94/68/587779468.db2.gz ULHSHULDTPLUJI-ITKZLYELSA-N 1 0 234.343 1.736 20 10 BDCDRO Cc1cnc(CC[NH2+]Cc2ccccc2O)cn1 ZINC000835061499 587779804 /nfs/dbraw/zinc/77/98/04/587779804.db2.gz MDSUBWSHOFHFON-UHFFFAOYSA-N 1 0 243.310 1.823 20 10 BDCDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cccc(F)c1O ZINC000841023790 587935367 /nfs/dbraw/zinc/93/53/67/587935367.db2.gz FVOBREODOTYWMM-KWQFWETISA-N 1 0 224.279 1.453 20 10 BDCDRO Cc1cccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1O ZINC000841027033 587936202 /nfs/dbraw/zinc/93/62/02/587936202.db2.gz ITJMSHCUMURVEZ-GXTWGEPZSA-N 1 0 246.354 1.884 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](CN)C2CC2)c1O ZINC000841028681 587936685 /nfs/dbraw/zinc/93/66/85/587936685.db2.gz QNWADTKVLICLIG-NSHDSACASA-N 1 0 236.315 1.228 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](CN)C2CC2)c1O ZINC000841028771 587936814 /nfs/dbraw/zinc/93/68/14/587936814.db2.gz RLYPBXPXTKBPFB-GFCCVEGCSA-N 1 0 220.316 1.528 20 10 BDCDRO Nc1ccc(CC[NH2+]C[C@H]2CCCOC2)cc1 ZINC000841035083 587937190 /nfs/dbraw/zinc/93/71/90/587937190.db2.gz KFLRFWTWLXPAOY-CYBMUJFWSA-N 1 0 234.343 1.828 20 10 BDCDRO Oc1c(F)cccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841033625 587937339 /nfs/dbraw/zinc/93/73/39/587937339.db2.gz YCOUPOSMSUHCTF-NSHDSACASA-N 1 0 238.306 1.763 20 10 BDCDRO Oc1cccc(Cl)c1CN[C@@H]1CCC[NH2+]C1 ZINC000841043866 587939329 /nfs/dbraw/zinc/93/93/29/587939329.db2.gz YBUMHHTUYNGKDL-SECBINFHSA-N 1 0 240.734 1.887 20 10 BDCDRO CCOc1ccc(CN[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000841045417 587939466 /nfs/dbraw/zinc/93/94/66/587939466.db2.gz URSGMHLZNPNYPD-LLVKDONJSA-N 1 0 236.315 1.242 20 10 BDCDRO Cc1cccc(CN[C@@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057609 587940362 /nfs/dbraw/zinc/94/03/62/587940362.db2.gz ASTHZKSTMQGGJD-ZWNOBZJWSA-N 1 0 234.343 1.788 20 10 BDCDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841058200 587940407 /nfs/dbraw/zinc/94/04/07/587940407.db2.gz QKQSOEKQXVBMKY-NWDGAFQWSA-N 1 0 238.306 1.891 20 10 BDCDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841058199 587940472 /nfs/dbraw/zinc/94/04/72/587940472.db2.gz QKQSOEKQXVBMKY-NEPJUHHUSA-N 1 0 238.306 1.891 20 10 BDCDRO COc1cc(Cl)cc(CN[C@H](C)C[NH3+])c1O ZINC000841061123 587941098 /nfs/dbraw/zinc/94/10/98/587941098.db2.gz VQHPHRTXVBTDJF-SSDOTTSWSA-N 1 0 244.722 1.491 20 10 BDCDRO CCOc1cccc(CN[C@@H](C)C[NH3+])c1O ZINC000841063204 587941271 /nfs/dbraw/zinc/94/12/71/587941271.db2.gz JYCGMTQGPCZUOA-VIFPVBQESA-N 1 0 224.304 1.228 20 10 BDCDRO C[C@H](C[NH3+])NC/C=C\c1ccc(N(C)C)cc1 ZINC000841061494 587941391 /nfs/dbraw/zinc/94/13/91/587941391.db2.gz ZLKRYKFIDBVGJG-QMAVJUDZSA-N 1 0 233.359 1.703 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CC[NH2+]1 ZINC000841061166 587941891 /nfs/dbraw/zinc/94/18/91/587941891.db2.gz FRFTWNBXPGAIAV-MWLCHTKSSA-N 1 0 238.306 1.761 20 10 BDCDRO Oc1c(F)cccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841090363 587945932 /nfs/dbraw/zinc/94/59/32/587945932.db2.gz OJOXDCDMPDOOBK-LLVKDONJSA-N 1 0 238.306 1.763 20 10 BDCDRO [NH3+]CCN1CCCc2cc(OC(F)F)ccc21 ZINC000842471850 588027697 /nfs/dbraw/zinc/02/76/97/588027697.db2.gz DBWVVXUPZZDSJF-UHFFFAOYSA-N 1 0 242.269 1.999 20 10 BDCDRO Nc1ccc(Cc2nc(C3([NH3+])CCC3)no2)cc1 ZINC000842617511 588045888 /nfs/dbraw/zinc/04/58/88/588045888.db2.gz UHUAUVIVJAGRAT-UHFFFAOYSA-N 1 0 244.298 1.581 20 10 BDCDRO Nc1ccc(Cc2nc([C@H]3CCC[NH2+]3)no2)cc1 ZINC000842644275 588048520 /nfs/dbraw/zinc/04/85/20/588048520.db2.gz UMDVFIUNBUWNPY-LLVKDONJSA-N 1 0 244.298 1.667 20 10 BDCDRO Cc1cc(Cl)cc(CN2CC[C@@H]([NH3+])C2)c1O ZINC000843045452 588076221 /nfs/dbraw/zinc/07/62/21/588076221.db2.gz RCXYHQMLPWXHBY-LLVKDONJSA-N 1 0 240.734 1.887 20 10 BDCDRO C[C@@H]1CN(Cc2cccc(F)c2O)C[C@@H](C)[NH2+]1 ZINC000843048944 588076958 /nfs/dbraw/zinc/07/69/58/588076958.db2.gz BGZBMWVXYXRMAW-NXEZZACHSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1ccc(O)c(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1 ZINC000843066378 588078612 /nfs/dbraw/zinc/07/86/12/588078612.db2.gz VXOJVYTXLPHANH-TXEJJXNPSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@@H]1CN(Cc2cccc(F)c2O)[C@H](C)C[NH2+]1 ZINC000843120082 588083258 /nfs/dbraw/zinc/08/32/58/588083258.db2.gz VJHDWKKQDMBRSF-NXEZZACHSA-N 1 0 238.306 1.714 20 10 BDCDRO C[C@H]1C[NH2+]C[C@@H](Nc2ccc(N)cc2)C1 ZINC000843126670 588084542 /nfs/dbraw/zinc/08/45/42/588084542.db2.gz SOEGIIHVRNLVDY-SKDRFNHKSA-N 1 0 205.305 1.679 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000846193117 588259662 /nfs/dbraw/zinc/25/96/62/588259662.db2.gz YWMIUNFAFKGXAJ-MXWKQRLJSA-N 1 0 248.326 1.615 20 10 BDCDRO C[C@H]([NH2+][C@@H](CO)CCF)c1cc(F)ccc1O ZINC000846208311 588260134 /nfs/dbraw/zinc/26/01/34/588260134.db2.gz IGFCZLBSEFVSLV-WCBMZHEXSA-N 1 0 245.269 1.902 20 10 BDCDRO C[C@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000107091913 588328736 /nfs/dbraw/zinc/32/87/36/588328736.db2.gz XOEMATUJMZRSBG-LBPRGKRZSA-N 1 0 233.359 1.546 20 10 BDCDRO CCc1cccc(C[N@H+](C)[C@@H](C)CO)c1O ZINC000848909908 588419057 /nfs/dbraw/zinc/41/90/57/588419057.db2.gz CNEADEASHCGXNO-JTQLQIEISA-N 1 0 223.316 1.767 20 10 BDCDRO CCc1cccc(C[NH+]2CC(CCO)C2)c1O ZINC000848916327 588420077 /nfs/dbraw/zinc/42/00/77/588420077.db2.gz GHDKIDJYBDBENL-UHFFFAOYSA-N 1 0 235.327 1.769 20 10 BDCDRO COc1ccc(O)c(CNC2=[NH+]CCCN2C)c1 ZINC000849009041 588433892 /nfs/dbraw/zinc/43/38/92/588433892.db2.gz SPSUSZAOWPJDGK-UHFFFAOYSA-N 1 0 249.314 1.182 20 10 BDCDRO Nc1ccc(-n2cc([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000849134863 588453299 /nfs/dbraw/zinc/45/32/99/588453299.db2.gz SSLDJQBLRUBOKL-JTQLQIEISA-N 1 0 243.314 1.317 20 10 BDCDRO Oc1ccccc1CN1CC2(C1)CCCO2 ZINC000862484520 589217117 /nfs/dbraw/zinc/21/71/17/589217117.db2.gz SMLXHEXLLBVQHS-UHFFFAOYSA-N 1 0 219.284 1.757 20 10 BDCDRO Cc1ccc(O)c(CNC(=O)[C@H](C)[NH+](C)C)c1 ZINC000862758202 589237717 /nfs/dbraw/zinc/23/77/17/589237717.db2.gz SLCNISGHMRLGGU-JTQLQIEISA-N 1 0 236.315 1.267 20 10 BDCDRO C[C@H]1CC[C@H](NCc2cccc(F)c2O)C[NH2+]1 ZINC000863485161 589293183 /nfs/dbraw/zinc/29/31/83/589293183.db2.gz VOQLEKYPDSZJMO-ONGXEEELSA-N 1 0 238.306 1.761 20 10 BDCDRO CCN(CC[NH3+])Cc1cc(C)c(C)cc1O ZINC000863644576 589306911 /nfs/dbraw/zinc/30/69/11/589306911.db2.gz ATLRNNJDGAZWFS-UHFFFAOYSA-N 1 0 222.332 1.790 20 10 BDCDRO CCN(CC[NH3+])Cc1ccc(N(C)C)cc1C ZINC000863643956 589306922 /nfs/dbraw/zinc/30/69/22/589306922.db2.gz DLOHTDFCFJYEBN-UHFFFAOYSA-N 1 0 235.375 1.842 20 10 BDCDRO C[C@@H](NC(=O)C(C)(C)[NH3+])c1ccccc1O ZINC000870988638 589706711 /nfs/dbraw/zinc/70/67/11/589706711.db2.gz VVJICLKYCUPWDT-MRVPVSSYSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1O ZINC000870988421 589706953 /nfs/dbraw/zinc/70/69/53/589706953.db2.gz OWRCQFPXGLXZDR-JTQLQIEISA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@H](NC(=O)CC1([NH3+])CCC1)c1ccccc1O ZINC000870988070 589707017 /nfs/dbraw/zinc/70/70/17/589707017.db2.gz FWIBGOJIGZHDFC-JTQLQIEISA-N 1 0 248.326 1.841 20 10 BDCDRO C[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1O ZINC000870987723 589707068 /nfs/dbraw/zinc/70/70/68/589707068.db2.gz BJXJBQZWNQWHAP-JTQLQIEISA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccccc1O ZINC000870988332 589707197 /nfs/dbraw/zinc/70/71/97/589707197.db2.gz MTASIQKVRWDBFL-JFGNBEQYSA-N 1 0 248.326 1.567 20 10 BDCDRO CCCOc1ccc(C[NH2+]CCO)cc1C ZINC000873007783 589979208 /nfs/dbraw/zinc/97/92/08/589979208.db2.gz FNQPXZXCKGORHB-UHFFFAOYSA-N 1 0 223.316 1.866 20 10 BDCDRO Cc1ccc(C[N@@H+](CC(N)=O)C(C)C)c(O)c1 ZINC000876539848 590212336 /nfs/dbraw/zinc/21/23/36/590212336.db2.gz RAGNNESGULCSSU-UHFFFAOYSA-N 1 0 236.315 1.396 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)CC(=O)N(C)C ZINC000876541896 590212749 /nfs/dbraw/zinc/21/27/49/590212749.db2.gz LNZNADBVZSJACV-UHFFFAOYSA-N 1 0 236.315 1.221 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCO1 ZINC000876890088 590254026 /nfs/dbraw/zinc/25/40/26/590254026.db2.gz WVACMIWOMZWSEF-LLVKDONJSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCOC1 ZINC000877008167 590268665 /nfs/dbraw/zinc/26/86/65/590268665.db2.gz MCOVHMABDNXNEW-LLVKDONJSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCCn1cncn1 ZINC000877011551 590268797 /nfs/dbraw/zinc/26/87/97/590268797.db2.gz FRWQLAIWRVTJOR-UHFFFAOYSA-N 1 0 246.314 1.472 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCOC1 ZINC000877008168 590268886 /nfs/dbraw/zinc/26/88/86/590268886.db2.gz MCOVHMABDNXNEW-NSHDSACASA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)c2nncn2C)c(O)c1 ZINC000877016434 590269555 /nfs/dbraw/zinc/26/95/55/590269555.db2.gz GHWJWPJHWPQQDF-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@](C)(O)C2CC2)c(O)c1 ZINC000877027259 590271194 /nfs/dbraw/zinc/27/11/94/590271194.db2.gz LXPUFCUPGKJEMY-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(C[NH2+]CC2(O)CCC2)c(O)c1 ZINC000877039769 590273406 /nfs/dbraw/zinc/27/34/06/590273406.db2.gz PTZHRHVPWOZLLI-UHFFFAOYSA-N 1 0 221.300 1.705 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)[C@@H](C)CO ZINC000877058267 590275836 /nfs/dbraw/zinc/27/58/36/590275836.db2.gz WYBZCVAKMUFUIS-QWRGUYRKSA-N 1 0 223.316 1.807 20 10 BDCDRO C[C@H]([NH3+])CCC(=O)N(C)c1ccc(N)cc1 ZINC000877077277 590278927 /nfs/dbraw/zinc/27/89/27/590278927.db2.gz BHDCPFLEDMECBR-VIFPVBQESA-N 1 0 221.304 1.359 20 10 BDCDRO C[C@@H]([NH3+])CCC(=O)N(C)c1ccc(N)cc1 ZINC000877077276 590278977 /nfs/dbraw/zinc/27/89/77/590278977.db2.gz BHDCPFLEDMECBR-SECBINFHSA-N 1 0 221.304 1.359 20 10 BDCDRO CN(C(=O)CC[NH2+]CC1CC1)c1ccc(N)cc1 ZINC000877075356 590279000 /nfs/dbraw/zinc/27/90/00/590279000.db2.gz AHTRTZHJIOPFOK-UHFFFAOYSA-N 1 0 247.342 1.621 20 10 BDCDRO CN(C(=O)C[C@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000877079261 590279543 /nfs/dbraw/zinc/27/95/43/590279543.db2.gz WJPLKULLJPATAW-LLVKDONJSA-N 1 0 233.315 1.374 20 10 BDCDRO CC[C@@H](O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877112831 590287456 /nfs/dbraw/zinc/28/74/56/590287456.db2.gz YLZZGKPLKONVQM-GFCCVEGCSA-N 1 0 223.316 1.951 20 10 BDCDRO CC[C@@](C)(CO)[NH2+]Cc1ccc(C)cc1O ZINC000877143378 590291504 /nfs/dbraw/zinc/29/15/04/590291504.db2.gz MVNFGJVZFGUEOU-ZDUSSCGKSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c(O)c1 ZINC000877159602 590293776 /nfs/dbraw/zinc/29/37/76/590293776.db2.gz ZNVGXOKJRGIAFJ-WCQYABFASA-N 1 0 233.311 1.727 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000877184004 590298656 /nfs/dbraw/zinc/29/86/56/590298656.db2.gz JYSGMWKGCRDJID-VXGBXAGGSA-N 1 0 235.327 1.903 20 10 BDCDRO COC[C@H](C[NH2+]Cc1c(C)cccc1O)OC ZINC000877189186 590299218 /nfs/dbraw/zinc/29/92/18/590299218.db2.gz KXQRFCFDSHFDRC-NSHDSACASA-N 1 0 239.315 1.452 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1O ZINC000877255858 590304213 /nfs/dbraw/zinc/30/42/13/590304213.db2.gz IQADWPAXNVLLBC-JQWIXIFHSA-N 1 0 248.326 1.712 20 10 BDCDRO CC[NH2+]CC(=O)N[C@@H](C)c1ccccc1O ZINC000877256123 590304429 /nfs/dbraw/zinc/30/44/29/590304429.db2.gz NTDJDVQPIQWOBP-VIFPVBQESA-N 1 0 222.288 1.179 20 10 BDCDRO Nc1ccc(CC(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000877291854 590307771 /nfs/dbraw/zinc/30/77/71/590307771.db2.gz PFFGYMKJOTXCFN-JOCQHMNTSA-N 1 0 247.342 1.197 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)CC1(CO)CC1 ZINC000877461393 590331243 /nfs/dbraw/zinc/33/12/43/590331243.db2.gz FINLKHHATPSHTC-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c(O)c1 ZINC000877468069 590334424 /nfs/dbraw/zinc/33/44/24/590334424.db2.gz YCMCPUSIMCDOAG-CMPLNLGQSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000877485762 590338404 /nfs/dbraw/zinc/33/84/04/590338404.db2.gz GHVFELUUMLFOQX-ZDUSSCGKSA-N 1 0 235.327 1.903 20 10 BDCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)OC)c(O)c1 ZINC000877493867 590340610 /nfs/dbraw/zinc/34/06/10/590340610.db2.gz PRSUEIAYVYYFIK-ZJUUUORDSA-N 1 0 239.315 1.914 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](C)CCCO ZINC000877499179 590341732 /nfs/dbraw/zinc/34/17/32/590341732.db2.gz MBNQDTFPOIJNBO-UHFFFAOYSA-N 1 0 209.289 1.515 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)CCN(C)C ZINC000877523356 590346542 /nfs/dbraw/zinc/34/65/42/590346542.db2.gz ITAIBVLYFDEWLG-UHFFFAOYSA-N 1 0 222.332 1.694 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c(O)c1 ZINC000877547290 590352702 /nfs/dbraw/zinc/35/27/02/590352702.db2.gz SIWYJZDPLAGJLY-GXTWGEPZSA-N 1 0 246.354 1.837 20 10 BDCDRO CC[N@H+](Cc1ccc(F)c(F)c1[O-])[C@@H](C)CO ZINC000877552139 590354875 /nfs/dbraw/zinc/35/48/75/590354875.db2.gz KVLQNNDNNXBQSW-QMMMGPOBSA-N 1 0 245.269 1.873 20 10 BDCDRO CCN1C[C@@H]([NH2+]Cc2c(C)cccc2O)CC1=O ZINC000877567536 590362031 /nfs/dbraw/zinc/36/20/31/590362031.db2.gz NWDIFXVPPYNSOM-NSHDSACASA-N 1 0 248.326 1.411 20 10 BDCDRO CCOC1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877579901 590364818 /nfs/dbraw/zinc/36/48/18/590364818.db2.gz IFTLRXPHMSGZSG-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877594946 590369881 /nfs/dbraw/zinc/36/98/81/590369881.db2.gz NHORIXABKCUYAG-ZDUSSCGKSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CCO)c(O)c1 ZINC000877615533 590375239 /nfs/dbraw/zinc/37/52/39/590375239.db2.gz SOWNAMNWWHHBIZ-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C/C=C/CO ZINC000877624792 590376761 /nfs/dbraw/zinc/37/67/61/590376761.db2.gz RWSZOXLBBNWJBU-NSCUHMNNSA-N 1 0 207.273 1.339 20 10 BDCDRO Cc1cccc(O)c1CN(C)Cc1cn(C)nn1 ZINC000877630713 590378107 /nfs/dbraw/zinc/37/81/07/590378107.db2.gz KEXVSEVPKRDQMT-UHFFFAOYSA-N 1 0 246.314 1.461 20 10 BDCDRO CC1(C)C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000877717631 590399170 /nfs/dbraw/zinc/39/91/70/590399170.db2.gz NAAGPNCSENOBCR-UHFFFAOYSA-N 1 0 235.283 1.963 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811452 590427086 /nfs/dbraw/zinc/42/70/86/590427086.db2.gz KSIVEDUMGBWBTR-XYPYZODXSA-N 1 0 221.300 1.561 20 10 BDCDRO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1O ZINC000126769759 590442088 /nfs/dbraw/zinc/44/20/88/590442088.db2.gz DGUZVOCCOSGBTH-GHMZBOCLSA-N 1 0 220.316 1.561 20 10 BDCDRO CCOc1cccc(C[NH2+][C@@H]2CCOC2)c1O ZINC000131159829 591561533 /nfs/dbraw/zinc/56/15/33/591561533.db2.gz LXOCWNOPANIRLM-LLVKDONJSA-N 1 0 237.299 1.669 20 10 BDCDRO CC[C@@H]([NH2+][C@H](C)CC(N)=O)c1ccccc1O ZINC000136101042 592094041 /nfs/dbraw/zinc/09/40/41/592094041.db2.gz XFJLXWAYNKYDFC-MWLCHTKSSA-N 1 0 236.315 1.697 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1cc(C)ccc1O ZINC000077452975 631323571 /nfs/dbraw/zinc/32/35/71/631323571.db2.gz PHLJZXPXXDQSRB-LBPRGKRZSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCC[C@@H]2O)c1 ZINC000089164277 631499107 /nfs/dbraw/zinc/49/91/07/631499107.db2.gz SUEQSFOMURIDDH-YPMHNXCESA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1CN ZINC000252219791 635641614 /nfs/dbraw/zinc/64/16/14/635641614.db2.gz YSGNHAYMMQYRNB-YPMHNXCESA-N 1 0 234.343 1.951 20 10 BDCDRO Cc1cccc(C[NH2+]Cc2cncn2C)c1O ZINC000291453303 632921849 /nfs/dbraw/zinc/92/18/49/632921849.db2.gz CQKDBQGZIDVPIF-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO c1cc(C[NH2+]C2COCCOC2)cc2c1OCC2 ZINC000310797412 632987349 /nfs/dbraw/zinc/98/73/49/632987349.db2.gz FYCNZZQLGQQGLA-UHFFFAOYSA-N 1 0 249.310 1.127 20 10 BDCDRO C[C@H]([NH2+]CC1(O)CCC1)c1ccccc1O ZINC000162199686 633023489 /nfs/dbraw/zinc/02/34/89/633023489.db2.gz NALCOSLGZHQEIT-JTQLQIEISA-N 1 0 221.300 1.958 20 10 BDCDRO COc1ccc(C[NH2+]CC2(F)CC2)c(O)c1 ZINC000309848951 633841043 /nfs/dbraw/zinc/84/10/43/633841043.db2.gz IENJPIQXWRJHAY-UHFFFAOYSA-N 1 0 225.263 1.993 20 10 BDCDRO CC[C@@H](COC)[NH2+]CCc1ccc(N)cc1 ZINC000841034586 636830648 /nfs/dbraw/zinc/83/06/48/636830648.db2.gz HXSGKCLZDYVNHO-ZDUSSCGKSA-N 1 0 222.332 1.826 20 10 BDCDRO CCOc1cccc(C[NH2+]CC[C@@H](C)O)c1O ZINC000078780158 636857521 /nfs/dbraw/zinc/85/75/21/636857521.db2.gz TWWKFCXJXOZHEK-SNVBAGLBSA-N 1 0 239.315 1.651 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000904463305 637406122 /nfs/dbraw/zinc/40/61/22/637406122.db2.gz PMEVZIZJBWWVKW-AWEZNQCLSA-N 1 0 246.354 1.709 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000150064477 639298564 /nfs/dbraw/zinc/29/85/64/639298564.db2.gz BLGCXZKVTNYQKF-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO CC(C)(C)[C@@H]([NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000911659547 639692909 /nfs/dbraw/zinc/69/29/09/639692909.db2.gz BTMYXQINZYNVBV-NSHDSACASA-N 1 0 235.331 1.971 20 10 BDCDRO Nc1ccc(NC(=O)C2=CCC[NH2+]CC2)cc1 ZINC000911661862 639695482 /nfs/dbraw/zinc/69/54/82/639695482.db2.gz YNQGJNAUYZJYMG-UHFFFAOYSA-N 1 0 231.299 1.517 20 10 BDCDRO C[C@@H](O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226609658 640778429 /nfs/dbraw/zinc/77/84/29/640778429.db2.gz GFGREOGAZQLDMR-MRVPVSSYSA-N 1 0 213.252 1.392 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCOC1 ZINC000226617176 640780430 /nfs/dbraw/zinc/78/04/30/640780430.db2.gz TYVYAMIOPLAGBC-SNVBAGLBSA-N 1 0 211.236 1.410 20 10 BDCDRO O=C1C[C@H]([NH2+]Cc2ccccc2O)CCCN1 ZINC000228415498 640874159 /nfs/dbraw/zinc/87/41/59/640874159.db2.gz CHBZKUSBUJUVSO-LLVKDONJSA-N 1 0 234.299 1.151 20 10 BDCDRO COCCN(C)CC[NH2+]Cc1ccccc1O ZINC000061375063 640957206 /nfs/dbraw/zinc/95/72/06/640957206.db2.gz KXEDXOKLTACQLN-UHFFFAOYSA-N 1 0 238.331 1.060 20 10 BDCDRO COc1cccc(C[N@H+](C)[C@H]2CCOC2)c1O ZINC000156098378 641593461 /nfs/dbraw/zinc/59/34/61/641593461.db2.gz RGSFCADSDADLGF-NSHDSACASA-N 1 0 237.299 1.622 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000158895988 641657211 /nfs/dbraw/zinc/65/72/11/641657211.db2.gz MUYRELKHUHQZDZ-SSDOTTSWSA-N 1 0 242.706 1.399 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cnc[nH]2)c1 ZINC000078749253 641950813 /nfs/dbraw/zinc/95/08/13/641950813.db2.gz HRWJRGWRGMJLMJ-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2CCOCC2)c1 ZINC000070955213 642446986 /nfs/dbraw/zinc/44/69/86/642446986.db2.gz QCXDAUIGPCTWTD-UHFFFAOYSA-N 1 0 221.300 1.969 20 10 BDCDRO COc1cccc(C[NH2+]CCSC)c1O ZINC000068890379 642807319 /nfs/dbraw/zinc/80/73/19/642807319.db2.gz XYJCUAGNXMRIEP-UHFFFAOYSA-N 1 0 227.329 1.853 20 10 BDCDRO CN(C)c1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000070203198 642991928 /nfs/dbraw/zinc/99/19/28/642991928.db2.gz KXRLUWPCJVNPQR-UHFFFAOYSA-N 1 0 249.358 1.498 20 10 BDCDRO OCC1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000183233134 643098428 /nfs/dbraw/zinc/09/84/28/643098428.db2.gz BAKVLZZWXNHWQQ-UHFFFAOYSA-N 1 0 239.290 1.784 20 10 BDCDRO CNC(=O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921593117 643614146 /nfs/dbraw/zinc/61/41/46/643614146.db2.gz QYNFWANYPZMGQS-UHFFFAOYSA-N 1 0 248.326 1.237 20 10 BDCDRO C[C@H](O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921744765 643768901 /nfs/dbraw/zinc/76/89/01/643768901.db2.gz ZCHOOADAPJKWJC-NSHDSACASA-N 1 0 235.327 1.872 20 10 BDCDRO OCC1([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000921927936 643828151 /nfs/dbraw/zinc/82/81/51/643828151.db2.gz OTANAPSDTAMCNM-UHFFFAOYSA-N 1 0 233.311 1.626 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC(=O)N2)c1 ZINC000079927129 644217388 /nfs/dbraw/zinc/21/73/88/644217388.db2.gz KYATVNSKMVPCOM-NSHDSACASA-N 1 0 234.299 1.069 20 10 BDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccccc1O ZINC000083117997 644400009 /nfs/dbraw/zinc/40/00/09/644400009.db2.gz QNEFQDUMHVTGAF-WDEREUQCSA-N 1 0 220.316 1.574 20 10 BDCDRO CC(=O)NCC[N@@H+](C)Cc1cc(F)ccc1O ZINC000308320683 711521954 /nfs/dbraw/zinc/52/19/54/711521954.db2.gz YIEVKUXWHASGPG-UHFFFAOYSA-N 1 0 240.278 1.099 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCN(C)C1)c1cc(F)ccc1O ZINC000094617857 644721695 /nfs/dbraw/zinc/72/16/95/644721695.db2.gz QZUUWIWSDVNAGL-GXSJLCMTSA-N 1 0 238.306 1.886 20 10 BDCDRO C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000843129580 645266566 /nfs/dbraw/zinc/26/65/66/645266566.db2.gz PXIDOIYLXMHSMR-IUCAKERBSA-N 1 0 226.295 1.747 20 10 BDCDRO C[C@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccccc1O ZINC000926984191 645507742 /nfs/dbraw/zinc/50/77/42/645507742.db2.gz DULLJUICYDUKEE-WDEREUQCSA-N 1 0 248.326 1.569 20 10 BDCDRO Cc1ccc([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000925785466 646481148 /nfs/dbraw/zinc/48/11/48/646481148.db2.gz PIIHZPAOYXXLPV-NQBHXWOUSA-N 1 0 234.343 1.959 20 10 BDCDRO FCCOCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000702633060 712056996 /nfs/dbraw/zinc/05/69/96/712056996.db2.gz OOOQOJDUFCTWEI-UHFFFAOYSA-N 1 0 239.290 1.697 20 10 BDCDRO C[C@@H]1[NH2+]CCN(Cc2ccccc2O)[C@H]1C ZINC000379445588 712385115 /nfs/dbraw/zinc/38/51/15/712385115.db2.gz WWYVHIASCSBOMC-QWRGUYRKSA-N 1 0 220.316 1.574 20 10 BDCDRO COc1ccc(O)c(CN2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000393872415 711178073 /nfs/dbraw/zinc/17/80/73/711178073.db2.gz AEWYWIGZLGDDSN-CABZTGNLSA-N 1 0 236.315 1.322 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000393977320 711180097 /nfs/dbraw/zinc/18/00/97/711180097.db2.gz SPNMWBWESZYDED-VIFPVBQESA-N 1 0 239.315 1.650 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)C(C)(C)O)c1O ZINC000393975589 711180337 /nfs/dbraw/zinc/18/03/37/711180337.db2.gz PHTNOXFNTQVXAW-SECBINFHSA-N 1 0 239.315 1.650 20 10 BDCDRO Cc1ncc(C[NH2+]Cc2ccccc2O)o1 ZINC000398108972 711401888 /nfs/dbraw/zinc/40/18/88/711401888.db2.gz QJBLZFMJMYWRSV-UHFFFAOYSA-N 1 0 218.256 1.978 20 10 BDCDRO COc1ccc(C[NH2+]Cc2cn[nH]c2)c(O)c1 ZINC000040906783 711482958 /nfs/dbraw/zinc/48/29/58/711482958.db2.gz YLGREPNXQNMEKA-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724948574 711633259 /nfs/dbraw/zinc/63/32/59/711633259.db2.gz ZDIJRXXFESMSFQ-YDGIUTOCSA-N 1 0 219.284 1.395 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC23CC(O)C3)c1 ZINC000724970924 711639088 /nfs/dbraw/zinc/63/90/88/711639088.db2.gz KPXYWYKQIPPXDU-QRMWWUJWSA-N 1 0 233.311 1.704 20 10 BDCDRO COCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894145586 711764434 /nfs/dbraw/zinc/76/44/34/711764434.db2.gz FJIUSYUUBLGTRZ-UHFFFAOYSA-N 1 0 225.288 1.445 20 10 BDCDRO CN1CC[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083552432 711916571 /nfs/dbraw/zinc/91/65/71/711916571.db2.gz AAIZEWFMLZVHGN-SECBINFHSA-N 1 0 240.734 1.839 20 10 BDCDRO CN1CC[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000083552430 711916610 /nfs/dbraw/zinc/91/66/10/711916610.db2.gz AAIZEWFMLZVHGN-VIFPVBQESA-N 1 0 240.734 1.839 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000710997371 712273472 /nfs/dbraw/zinc/27/34/72/712273472.db2.gz HLRWBJGEOAMDLB-JQWIXIFHSA-N 1 0 221.300 1.825 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+][C@@H](C)[C@H]2C)c1 ZINC000379473031 712385648 /nfs/dbraw/zinc/38/56/48/712385648.db2.gz UKARXLNTWNJFGE-NWDGAFQWSA-N 1 0 234.343 1.883 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C)c1 ZINC000712585345 712434846 /nfs/dbraw/zinc/43/48/46/712434846.db2.gz FXJBYBMHLMNTFL-NSHDSACASA-N 1 0 236.315 1.195 20 10 BDCDRO CCNC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000036780473 712494934 /nfs/dbraw/zinc/49/49/34/712494934.db2.gz KKCJHKFFJXGGRK-VIFPVBQESA-N 1 0 222.288 1.179 20 10 BDCDRO NC(=O)C1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000037152294 712547825 /nfs/dbraw/zinc/54/78/25/712547825.db2.gz FQCTZYAFMJWDBG-UHFFFAOYSA-N 1 0 248.326 1.526 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccccc1O ZINC000379983175 712643846 /nfs/dbraw/zinc/64/38/46/712643846.db2.gz SXSXFFWBQGVLQT-MWLCHTKSSA-N 1 0 206.289 1.314 20 10 BDCDRO CC[C@H]([NH2+]C/C=C/CO)c1ccccc1O ZINC000717533784 712660718 /nfs/dbraw/zinc/66/07/18/712660718.db2.gz ZNXRWDODVZPDFP-FYJFLYSWSA-N 1 0 221.300 1.981 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](CO)CC(F)F)c1O ZINC000717826556 712682153 /nfs/dbraw/zinc/68/21/53/712682153.db2.gz XMMYDGZZJVFEEZ-JTQLQIEISA-N 1 0 245.269 1.806 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1 ZINC000717980312 712735414 /nfs/dbraw/zinc/73/54/14/712735414.db2.gz OSZSNPRWLSHDIN-JSGCOSHPSA-N 1 0 232.327 1.631 20 10 BDCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C ZINC000719646950 712819852 /nfs/dbraw/zinc/81/98/52/712819852.db2.gz MJMIKYMRJPZPBS-BXUZGUMPSA-N 1 0 246.354 1.804 20 10 BDCDRO C[C@H]1[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C ZINC000719646955 712820225 /nfs/dbraw/zinc/82/02/25/712820225.db2.gz MJMIKYMRJPZPBS-SMDDNHRTSA-N 1 0 246.354 1.804 20 10 BDCDRO Cc1cccc(CN2CC(C)([NH3+])C2)c1O ZINC001204986306 963379510 /nfs/dbraw/zinc/37/95/10/963379510.db2.gz VOJGCZFDKJWFHC-UHFFFAOYSA-N 1 0 206.289 1.234 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001235348756 979029884 /nfs/dbraw/zinc/02/98/84/979029884.db2.gz YWDCSHRJTFIDMA-ZDUSSCGKSA-N 1 0 219.332 1.453 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC001238064747 980132034 /nfs/dbraw/zinc/13/20/34/980132034.db2.gz QGUAJOZTIJWCGU-ZDUSSCGKSA-N 1 0 239.290 1.796 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CO[C@@H](C)C1 ZINC000877607928 983956475 /nfs/dbraw/zinc/95/64/75/983956475.db2.gz OBFIIFDQGUOLJU-WDEREUQCSA-N 1 0 221.300 1.968 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H](O)C1CCC1 ZINC000316032019 972259626 /nfs/dbraw/zinc/25/96/26/972259626.db2.gz VABWYEDLKJGOFS-ZDUSSCGKSA-N 1 0 221.300 1.643 20 10 BDCDRO COc1cccc(C[NH2+]Cc2nc(C)c[nH]2)c1O ZINC000693493890 958566433 /nfs/dbraw/zinc/56/64/33/958566433.db2.gz ZPVJRHZITOHYOE-UHFFFAOYSA-N 1 0 247.298 1.722 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](C)CC2COC2)c1 ZINC001140622961 960464548 /nfs/dbraw/zinc/46/45/48/960464548.db2.gz IMPCWDMACJOJJY-UHFFFAOYSA-N 1 0 221.300 1.779 20 10 BDCDRO Cc1c(O)ccc(C[N@H+](C)CC2COC2)c1O ZINC001140747634 960545193 /nfs/dbraw/zinc/54/51/93/960545193.db2.gz FEOISFNPBMYUFO-UHFFFAOYSA-N 1 0 237.299 1.484 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@]23CCOC3)c1O ZINC001140749966 960548038 /nfs/dbraw/zinc/54/80/38/960548038.db2.gz QGGMOSZTDUABQL-AWEZNQCLSA-N 1 0 249.310 1.771 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+](C)[C@H]2CCOC2)c1O ZINC001140746252 960548489 /nfs/dbraw/zinc/54/84/89/960548489.db2.gz XFHNLCOTMCYLPF-NSHDSACASA-N 1 0 237.299 1.627 20 10 BDCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001140748341 960552526 /nfs/dbraw/zinc/55/25/26/960552526.db2.gz WRSXDUGQJXVDQO-RYUDHWBXSA-N 1 0 248.326 1.295 20 10 BDCDRO COc1cc(O)c(C[NH+](C)C)c(OC)c1 ZINC001141031295 960821762 /nfs/dbraw/zinc/82/17/62/960821762.db2.gz BTAQBVIDDSVNHT-UHFFFAOYSA-N 1 0 211.261 1.471 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC001141155950 960891731 /nfs/dbraw/zinc/89/17/31/960891731.db2.gz BUGLYFXUAMTSEQ-UHFFFAOYSA-N 1 0 235.283 1.320 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCOC[C@H]2C2CC2)c1 ZINC001141162151 960900213 /nfs/dbraw/zinc/90/02/13/960900213.db2.gz LVCABUGFFQXFLC-ZDUSSCGKSA-N 1 0 249.310 1.709 20 10 BDCDRO c1cc(CNC[C@@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000258800265 961064948 /nfs/dbraw/zinc/06/49/48/961064948.db2.gz CWLLXBLVRKMGBU-AWEZNQCLSA-N 1 0 246.354 1.853 20 10 BDCDRO COc1ccc(O)c(CN2CC[NH2+]C[C@H]2C)c1 ZINC000722387077 961180845 /nfs/dbraw/zinc/18/08/45/961180845.db2.gz NIKMQJPDJQRGTH-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO CCOc1ccc(CNCC[NH2+]C)c(O)c1 ZINC000841034824 961248231 /nfs/dbraw/zinc/24/82/31/961248231.db2.gz FPIBLVBWWZUCCR-UHFFFAOYSA-N 1 0 224.304 1.100 20 10 BDCDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988582 963730604 /nfs/dbraw/zinc/73/06/04/963730604.db2.gz UBEJNCBHEGKNCP-UWVGGRQHSA-N 1 0 236.315 1.425 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1 ZINC000690257088 964827984 /nfs/dbraw/zinc/82/79/84/964827984.db2.gz GDCGNPZQGMZWQJ-LBPRGKRZSA-N 1 0 248.326 1.363 20 10 BDCDRO CCOc1ccc(N(CC[NH3+])CCO)cc1C ZINC001163837211 965606884 /nfs/dbraw/zinc/60/68/84/965606884.db2.gz UXLYEBBOQCALGZ-UHFFFAOYSA-N 1 0 238.331 1.151 20 10 BDCDRO COc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235071857 966002422 /nfs/dbraw/zinc/00/24/22/966002422.db2.gz DKMIKXVVAPGBAY-CHWSQXEVSA-N 1 0 248.326 1.337 20 10 BDCDRO CCc1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235991536 966206854 /nfs/dbraw/zinc/20/68/54/966206854.db2.gz OJXFEIJQJBQZDZ-ZFWWWQNUSA-N 1 0 246.354 1.878 20 10 BDCDRO [NH3+][C@]12C[C@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC001236024255 966235675 /nfs/dbraw/zinc/23/56/75/966235675.db2.gz ILDRQCXHCJSXGP-UFBFGSQYSA-N 1 0 238.718 1.579 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001236170306 966291642 /nfs/dbraw/zinc/29/16/42/966291642.db2.gz UUJXPSPKVHJRJU-CQSZACIVSA-N 1 0 245.370 1.820 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]3C[NH2+]C[C@H]32)c1 ZINC001236282099 966328196 /nfs/dbraw/zinc/32/81/96/966328196.db2.gz BKRSJGDKIYQYFB-VXGBXAGGSA-N 1 0 218.300 1.104 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]3C[NH2+]C[C@@H]32)c1 ZINC001236282087 966328750 /nfs/dbraw/zinc/32/87/50/966328750.db2.gz BKRSJGDKIYQYFB-NEPJUHHUSA-N 1 0 218.300 1.104 20 10 BDCDRO C[C@]1(CO)CC[N@H+](Cc2ccccc2O)C1 ZINC001203550239 966682849 /nfs/dbraw/zinc/68/28/49/966682849.db2.gz NUTHIZZOTUERLT-ZDUSSCGKSA-N 1 0 221.300 1.597 20 10 BDCDRO NC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC001203547211 966685382 /nfs/dbraw/zinc/68/53/82/966685382.db2.gz IXUUSZOLHSIQQB-UHFFFAOYSA-N 1 0 249.314 1.025 20 10 BDCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccccc3O)C[C@H]12 ZINC001203558590 966687769 /nfs/dbraw/zinc/68/77/69/966687769.db2.gz OEGBKRMDYSECFZ-MPKXVKKWSA-N 1 0 233.311 1.859 20 10 BDCDRO COc1cccc(C[NH+]2CC3(COC3)C2)c1O ZINC001203585843 966694128 /nfs/dbraw/zinc/69/41/28/966694128.db2.gz VVQBQGUHYZIOSA-UHFFFAOYSA-N 1 0 235.283 1.233 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@@H]2C)c1O ZINC001203585799 966695095 /nfs/dbraw/zinc/69/50/95/966695095.db2.gz VGFAYVOJJUWJJS-VIFPVBQESA-N 1 0 207.273 1.995 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1O ZINC001203589535 966703061 /nfs/dbraw/zinc/70/30/61/966703061.db2.gz KGEWZZRBZLIZMJ-VXGBXAGGSA-N 1 0 249.310 1.764 20 10 BDCDRO COc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001203621506 966709872 /nfs/dbraw/zinc/70/98/72/966709872.db2.gz WMJKAWFQNVQJGU-UHFFFAOYSA-N 1 0 249.310 1.358 20 10 BDCDRO Oc1ccc(C[N@H+]2CCC[C@@H](O)C2)cc1O ZINC001203873274 966804283 /nfs/dbraw/zinc/80/42/83/966804283.db2.gz AMLJSWUFQUCLFS-SNVBAGLBSA-N 1 0 223.272 1.055 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874930 966805249 /nfs/dbraw/zinc/80/52/49/966805249.db2.gz FJZAPMQMKCNMAB-VIFPVBQESA-N 1 0 207.273 1.940 20 10 BDCDRO Oc1ccc(CN2CC([NH+]3CCCC3)C2)c(O)c1 ZINC001204274559 966950220 /nfs/dbraw/zinc/95/02/20/966950220.db2.gz FFTWTHTXTUUNJC-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO Oc1ccc(C[NH+]2CCN(C3CC3)CC2)c(O)c1 ZINC001204272527 966950526 /nfs/dbraw/zinc/95/05/26/966950526.db2.gz PJDMPFZUXBBCLT-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204273085 966953408 /nfs/dbraw/zinc/95/34/08/966953408.db2.gz XFWASULINMCHLH-NSHDSACASA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001204274558 966954007 /nfs/dbraw/zinc/95/40/07/966954007.db2.gz FETGJVWJKGWCFL-UHFFFAOYSA-N 1 0 235.283 1.463 20 10 BDCDRO C[N@H+](Cc1ccc(O)cc1O)[C@H]1CCCOC1 ZINC001204281721 966958928 /nfs/dbraw/zinc/95/89/28/966958928.db2.gz HGUFHVAPDMHEDK-NSHDSACASA-N 1 0 237.299 1.709 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)[C@@H](C)CO1 ZINC001204278172 966960023 /nfs/dbraw/zinc/96/00/23/966960023.db2.gz WMBBOSSARHWQEC-VHSXEESVSA-N 1 0 237.299 1.707 20 10 BDCDRO Cc1ccc(C)c(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205182628 967413735 /nfs/dbraw/zinc/41/37/35/967413735.db2.gz DXHZXPWXIQJMDH-DGCLKSJQSA-N 1 0 234.343 1.931 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H]3COC[C@@H]32)c(O)c1 ZINC001205517272 967660227 /nfs/dbraw/zinc/66/02/27/967660227.db2.gz LPTDQWNOHUOFRE-WXHSDQCUSA-N 1 0 249.310 1.525 20 10 BDCDRO [O-]c1cccc(F)c1C[N@H+]1CCCC[C@@H]1CO ZINC001137831738 967822170 /nfs/dbraw/zinc/82/21/70/967822170.db2.gz LQFFJLJTDGYKCY-SNVBAGLBSA-N 1 0 239.290 1.878 20 10 BDCDRO COc1ccc(N2CC[C@@H]([NH3+])C2)c2[nH]ccc21 ZINC001164282602 968205689 /nfs/dbraw/zinc/20/56/89/968205689.db2.gz YXRLECGOSVSIJK-SECBINFHSA-N 1 0 231.299 1.714 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001251814211 968349395 /nfs/dbraw/zinc/34/93/95/968349395.db2.gz XSBCLMRAWLBQFR-LLVKDONJSA-N 1 0 223.316 1.870 20 10 BDCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](C)O ZINC001251962600 968401396 /nfs/dbraw/zinc/40/13/96/968401396.db2.gz IUGGZMVUDFBUSD-JTQLQIEISA-N 1 0 209.289 1.595 20 10 BDCDRO CC1([NH2+]Cc2ccc(Cl)cc2O)COC1 ZINC001207100668 968629463 /nfs/dbraw/zinc/62/94/63/968629463.db2.gz DIDHTSLEMAHYFO-UHFFFAOYSA-N 1 0 227.691 1.924 20 10 BDCDRO COC(=O)[C@@H](C)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001208723161 969210049 /nfs/dbraw/zinc/21/00/49/969210049.db2.gz MQFTXVNPVPZLIN-JTQLQIEISA-N 1 0 249.310 1.559 20 10 BDCDRO CN(c1ccc2c(c1)N(C)CCO2)C(C)(C)C[NH3+] ZINC001170060399 970115385 /nfs/dbraw/zinc/11/53/85/970115385.db2.gz OTOORNBTKLFRPX-UHFFFAOYSA-N 1 0 249.358 1.689 20 10 BDCDRO Cc1cc(C2=CC[NH2+]C2)ccc1N1CCOCC1 ZINC001243112061 970355994 /nfs/dbraw/zinc/35/59/94/970355994.db2.gz NSVLOPXQDOZEIF-UHFFFAOYSA-N 1 0 244.338 1.818 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)c(O)c1 ZINC000402008146 970755381 /nfs/dbraw/zinc/75/53/81/970755381.db2.gz AHVRCDDEPMPJDJ-MWLCHTKSSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@H]1COCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500318 972848049 /nfs/dbraw/zinc/84/80/49/972848049.db2.gz RZRZPVTTZZNCKY-QMMMGPOBSA-N 1 0 239.271 1.024 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001144504076 972850257 /nfs/dbraw/zinc/85/02/57/972850257.db2.gz KXLJQDCXIPYFOE-SSDOTTSWSA-N 1 0 227.235 1.347 20 10 BDCDRO C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001328677173 973260638 /nfs/dbraw/zinc/26/06/38/973260638.db2.gz KQSVZHGVWRBQCB-VIFPVBQESA-N 1 0 242.750 1.991 20 10 BDCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2c1ccc2c(c1)OCCO2 ZINC001277013808 974177558 /nfs/dbraw/zinc/17/75/58/974177558.db2.gz IBNLFBHLJSFNGQ-TXEJJXNPSA-N 1 0 246.310 1.351 20 10 BDCDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001335288431 976928627 /nfs/dbraw/zinc/92/86/27/976928627.db2.gz FVEKJEDXLVGCRC-YPMHNXCESA-N 1 0 234.343 1.862 20 10 BDCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N)cc1 ZINC001336116960 977517122 /nfs/dbraw/zinc/51/71/22/977517122.db2.gz JGPWHPBFLVYLJV-JTQLQIEISA-N 1 0 231.303 1.039 20 10 BDCDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(N)cc1 ZINC001336284632 977614261 /nfs/dbraw/zinc/61/42/61/977614261.db2.gz BDBGMRRGKPNINJ-ZDUSSCGKSA-N 1 0 219.332 1.453 20 10 BDCDRO CC[NH+](CC)Cc1cc(OC)c(O)cc1O ZINC001231634585 977656009 /nfs/dbraw/zinc/65/60/09/977656009.db2.gz ORNYSQWLPDLKKZ-UHFFFAOYSA-N 1 0 225.288 1.948 20 10 BDCDRO COc1cc(C[NH+]2CC3CC(C3)C2)c(O)cc1O ZINC001231639596 977660026 /nfs/dbraw/zinc/66/00/26/977660026.db2.gz VXUAHFGJKULCKH-UHFFFAOYSA-N 1 0 249.310 1.948 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001231841963 977764080 /nfs/dbraw/zinc/76/40/80/977764080.db2.gz KKTXWGPABYAJGC-LBPRGKRZSA-N 1 0 248.326 1.459 20 10 BDCDRO Oc1cc(C[NH+]2CC3CC(C3)C2)cc(O)c1O ZINC001233015433 978412310 /nfs/dbraw/zinc/41/23/10/978412310.db2.gz NMBRJJQTYYWEBA-UHFFFAOYSA-N 1 0 235.283 1.645 20 10 BDCDRO CC(C)N1CC[C@@H]([NH2+]Cc2ccc(N)cc2)C1=O ZINC001337837453 978520133 /nfs/dbraw/zinc/52/01/33/978520133.db2.gz BJNMPWWNQQUYDJ-CYBMUJFWSA-N 1 0 247.342 1.368 20 10 BDCDRO CN(CC[NH+](C)C)Cc1c(O)ccc(F)c1F ZINC001233331805 978561433 /nfs/dbraw/zinc/56/14/33/978561433.db2.gz LTAMCILPPCCWNU-UHFFFAOYSA-N 1 0 244.285 1.664 20 10 BDCDRO [O-]c1ccc(F)c(F)c1C[N@H+]1CC[C@H](CO)C1 ZINC001233334878 978568086 /nfs/dbraw/zinc/56/80/86/978568086.db2.gz XNXKULPCGAXOPU-QMMMGPOBSA-N 1 0 243.253 1.485 20 10 BDCDRO CC[NH+](CC)Cc1cc(O)c(O)cc1O ZINC001233482692 978610633 /nfs/dbraw/zinc/61/06/33/978610633.db2.gz YNAVWUORHUBMNG-UHFFFAOYSA-N 1 0 211.261 1.645 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)cc1O ZINC001233486890 978611261 /nfs/dbraw/zinc/61/12/61/978611261.db2.gz HJHDCIWHCLQMHM-WCBMZHEXSA-N 1 0 235.283 1.788 20 10 BDCDRO CC[N@H+](CCOC)Cc1cc(O)c(O)cc1O ZINC001233482134 978612897 /nfs/dbraw/zinc/61/28/97/978612897.db2.gz APMLOAFLDHMCEW-UHFFFAOYSA-N 1 0 241.287 1.272 20 10 BDCDRO C[C@@H]1CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483249 978613948 /nfs/dbraw/zinc/61/39/48/978613948.db2.gz SDPYOZYJAONYKK-SSDOTTSWSA-N 1 0 209.245 1.398 20 10 BDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cccc(F)c2O)C1 ZINC001206412574 978818043 /nfs/dbraw/zinc/81/80/43/978818043.db2.gz BADJXFHDBVLLTJ-VHSXEESVSA-N 1 0 242.269 1.402 20 10 BDCDRO Cc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235045356 978963151 /nfs/dbraw/zinc/96/31/51/978963151.db2.gz TUODAVSHFDMZAV-QWHCGFSZSA-N 1 0 232.327 1.637 20 10 BDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1ccccc1O)C2 ZINC001235977270 979241282 /nfs/dbraw/zinc/24/12/82/979241282.db2.gz FYUAGQBMNBEJSQ-WCQYABFASA-N 1 0 218.300 1.315 20 10 BDCDRO CCc1ccc(CN2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236251718 979470161 /nfs/dbraw/zinc/47/01/61/979470161.db2.gz ZJMAMRNWIOLALB-CYBMUJFWSA-N 1 0 234.343 1.878 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CCO)c(Cl)c1 ZINC001236255281 979477595 /nfs/dbraw/zinc/47/75/95/979477595.db2.gz KMEDWAIODXOGMU-UHFFFAOYSA-N 1 0 242.750 1.830 20 10 BDCDRO Oc1cccc(Cl)c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236284297 979487521 /nfs/dbraw/zinc/48/75/21/979487521.db2.gz HPODOOJWWVWVKU-GZMMTYOYSA-N 1 0 238.718 1.449 20 10 BDCDRO C[C@H]1[C@@H]([NH3+])CCCN1Cc1ccc(N)cc1 ZINC001236418396 979591883 /nfs/dbraw/zinc/59/18/83/979591883.db2.gz HIUANSAPKQHXJR-GWCFXTLKSA-N 1 0 219.332 1.580 20 10 BDCDRO CC1(C)CN(C(=O)Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001342506884 979819407 /nfs/dbraw/zinc/81/94/07/979819407.db2.gz XHDNCWWRWZXESB-GFCCVEGCSA-N 1 0 247.342 1.007 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(C(=O)N(C)C)C1 ZINC001237489880 979912645 /nfs/dbraw/zinc/91/26/45/979912645.db2.gz MERXGIRWFKWNMA-UHFFFAOYSA-N 1 0 248.326 1.221 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2CC[C@H]1C2 ZINC001237487489 979918083 /nfs/dbraw/zinc/91/80/83/979918083.db2.gz JHRUPYLLKREQGE-LBPRGKRZSA-N 1 0 232.327 1.591 20 10 BDCDRO COc1cccc(CN2CC[N@@H+]3CC[C@H]3C2)c1O ZINC001203601978 980150269 /nfs/dbraw/zinc/15/02/69/980150269.db2.gz UOXDEECYYKUSHA-LBPRGKRZSA-N 1 0 248.326 1.291 20 10 BDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001343567326 980151778 /nfs/dbraw/zinc/15/17/78/980151778.db2.gz PESBKEKLWYXZQC-CYBMUJFWSA-N 1 0 247.342 1.369 20 10 BDCDRO C[C@H](Cn1cccn1)[NH2+]Cc1ccc(N)cc1 ZINC001345160752 980569302 /nfs/dbraw/zinc/56/93/02/980569302.db2.gz YGSAIHARQUDGFC-LLVKDONJSA-N 1 0 230.315 1.644 20 10 BDCDRO CN1CCOc2cc(C3=CC[NH2+]CC3)ccc21 ZINC001240467242 981400581 /nfs/dbraw/zinc/40/05/81/981400581.db2.gz ARSIPCAOLIGBCG-UHFFFAOYSA-N 1 0 230.311 1.892 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@]3(CCOC3)C2)cc1O ZINC001203875751 982557362 /nfs/dbraw/zinc/55/73/62/982557362.db2.gz UEOYJYZDTLXILH-AWEZNQCLSA-N 1 0 249.310 1.710 20 10 BDCDRO CCn1nccc1C[NH2+]Cc1ccc(N)cc1 ZINC001352789464 982582133 /nfs/dbraw/zinc/58/21/33/982582133.db2.gz KDRCEUROLNZFRL-UHFFFAOYSA-N 1 0 230.315 1.775 20 10 BDCDRO Nc1ccc(CNC(=O)C2([NH3+])CCCC2)cc1 ZINC001356239965 983591249 /nfs/dbraw/zinc/59/12/49/983591249.db2.gz UUNZQQODIKIEEM-UHFFFAOYSA-N 1 0 233.315 1.157 20 10 BDCDRO Cc1nc2c(ccn2C)c(C2=CC[NH2+]C2)n1 ZINC001243110422 984571199 /nfs/dbraw/zinc/57/11/99/984571199.db2.gz LVWNYXVJRCROFF-UHFFFAOYSA-N 1 0 214.272 1.263 20 10 BDCDRO CN1C[C@@H]2CC[N@H+](Cc3ccc(O)cc3O)[C@@H]2C1 ZINC001275950426 984745382 /nfs/dbraw/zinc/74/53/82/984745382.db2.gz VTGRRVLPHZSZMM-GXFFZTMASA-N 1 0 248.326 1.234 20 10 BDCDRO CN(C)c1ccc(CN(C)[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001578425589 985056456 /nfs/dbraw/zinc/05/64/56/985056456.db2.gz HAMGXSMPIYAUFH-FICVDOATSA-N 1 0 245.370 1.402 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1(CO)CC1 ZINC000696129926 987337831 /nfs/dbraw/zinc/33/78/31/987337831.db2.gz FBYWMHJSCSOUPP-LLVKDONJSA-N 1 0 247.338 1.872 20 10 BDCDRO CO[C@@H](C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC001474677778 987798516 /nfs/dbraw/zinc/79/85/16/987798516.db2.gz WCWWKJBFZZUKMV-VIFPVBQESA-N 1 0 207.273 1.743 20 10 BDCDRO C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(F)c1[O-] ZINC001117953979 987968434 /nfs/dbraw/zinc/96/84/34/987968434.db2.gz VWUHJIDXGLIRLE-SECBINFHSA-N 1 0 226.295 1.476 20 10 BDCDRO C[NH2+]C[C@H](C)C[NH2+]Cc1cccc(F)c1[O-] ZINC001117953980 987969765 /nfs/dbraw/zinc/96/97/65/987969765.db2.gz VWUHJIDXGLIRLE-VIFPVBQESA-N 1 0 226.295 1.476 20 10 BDCDRO CC(C)[C@H](C(=O)NCc1ccc(N)cc1)[C@@H](C)[NH3+] ZINC001515331485 989028166 /nfs/dbraw/zinc/02/81/66/989028166.db2.gz FFDFRQPUJDECCT-MFKMUULPSA-N 1 0 249.358 1.504 20 10 BDCDRO Nc1ccc(NC(=O)NCC[NH+]2CC=CC2)cc1 ZINC001325287384 989146877 /nfs/dbraw/zinc/14/68/77/989146877.db2.gz QWOCYDZNBZXKLR-UHFFFAOYSA-N 1 0 246.314 1.262 20 10 BDCDRO CCC[NH2+]CCNCc1c(O)cccc1OC ZINC001325321316 989155871 /nfs/dbraw/zinc/15/58/71/989155871.db2.gz UTXVHLPVSFWPPY-UHFFFAOYSA-N 1 0 238.331 1.490 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)NCc1ccc(N)cc1 ZINC001122445476 990387706 /nfs/dbraw/zinc/38/77/06/990387706.db2.gz UIKRLPYFVSYZQG-ZYHUDNBSSA-N 1 0 247.342 1.131 20 10 BDCDRO Cc1cc(C[NH+]2CC3(COC3)C2)ccc1N(C)C ZINC001139669687 990794911 /nfs/dbraw/zinc/79/49/11/990794911.db2.gz HDUMYMBGZHEUFT-UHFFFAOYSA-N 1 0 246.354 1.893 20 10 BDCDRO CC[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC001202897648 991157601 /nfs/dbraw/zinc/15/76/01/991157601.db2.gz BBFMPOXKERQKJC-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO COC(C[N@H+](C)Cc1cc(F)ccc1O)OC ZINC001140058512 991507715 /nfs/dbraw/zinc/50/77/15/991507715.db2.gz DURLPBJEMTZSHO-UHFFFAOYSA-N 1 0 243.278 1.582 20 10 BDCDRO Cc1ccc(C)c(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC001140178500 991549215 /nfs/dbraw/zinc/54/92/15/991549215.db2.gz MSRAMTZLLIYLOR-WCQYABFASA-N 1 0 235.327 1.822 20 10 BDCDRO CN(C(=O)[C@H]1CCCC[C@@H]1[NH3+])c1ccc(N)cc1 ZINC001262009184 992591226 /nfs/dbraw/zinc/59/12/26/992591226.db2.gz NFLZUODABKBUGR-STQMWFEESA-N 1 0 247.342 1.749 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)NCC1([NH3+])CC1 ZINC001262597896 992951487 /nfs/dbraw/zinc/95/14/87/992951487.db2.gz BLPSQEHQMZEUKN-UHFFFAOYSA-N 1 0 249.314 1.025 20 10 BDCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccc(N)cc1 ZINC001263303836 993214899 /nfs/dbraw/zinc/21/48/99/993214899.db2.gz KQACLIRPVLCDML-JTQLQIEISA-N 1 0 235.331 1.273 20 10 BDCDRO COc1ccc(CN(C)C[C@H](C)[NH3+])c(O)c1 ZINC000380551287 993336692 /nfs/dbraw/zinc/33/66/92/993336692.db2.gz JWMLCZQCLHSZEW-VIFPVBQESA-N 1 0 224.304 1.180 20 10 BDCDRO CCN1CC[C@H]([NH2+]Cc2ccc(O)c(O)c2)C1 ZINC000389186396 993743447 /nfs/dbraw/zinc/74/34/47/993743447.db2.gz SEQSRLILTGPTNP-NSHDSACASA-N 1 0 236.315 1.282 20 10 BDCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336116555 994953417 /nfs/dbraw/zinc/95/34/17/994953417.db2.gz GDEZHSMCMZSBJP-LBPRGKRZSA-N 1 0 247.342 1.356 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1O ZINC000195006936 136221279 /nfs/dbraw/zinc/22/12/79/136221279.db2.gz CNFIXMGENJSMPG-JOYOIKCWSA-N 1 0 248.326 1.315 20 10 BDCDRO OCC[NH2+]Cc1cc(Cl)ccc1O ZINC000020597013 342992163 /nfs/dbraw/zinc/99/21/63/342992163.db2.gz NUIBKSYYEYNMAN-UHFFFAOYSA-N 1 0 201.653 1.128 20 10 BDCDRO CC(C)[N@H+](C)CC(=O)Nc1ccc(N)cc1 ZINC000022218413 187255182 /nfs/dbraw/zinc/25/51/82/187255182.db2.gz BXKBLNQMVDQPBK-UHFFFAOYSA-N 1 0 221.304 1.548 20 10 BDCDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC)c1ccccc1O ZINC000042560613 343443933 /nfs/dbraw/zinc/44/39/33/343443933.db2.gz GMEZAELQMJKUES-ONGXEEELSA-N 1 0 236.315 1.567 20 10 BDCDRO CC(C)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000132262164 187286934 /nfs/dbraw/zinc/28/69/34/187286934.db2.gz BPYQIJRBMRYZIE-UHFFFAOYSA-N 1 0 234.343 1.918 20 10 BDCDRO C[C@@H](O)CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093481032 345672884 /nfs/dbraw/zinc/67/28/84/345672884.db2.gz NDNYJFMWWHWMSU-GFCCVEGCSA-N 1 0 236.359 1.955 20 10 BDCDRO Cc1cccc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)c1O ZINC000194536080 179083923 /nfs/dbraw/zinc/08/39/23/179083923.db2.gz FSXVVPGYUGRVJE-OKILXGFUSA-N 1 0 246.354 1.694 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1O ZINC000187987391 179093921 /nfs/dbraw/zinc/09/39/21/179093921.db2.gz BVFAMUXVBMKLCW-WCQYABFASA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H](C)N(C)C)c1O ZINC000163729452 179094717 /nfs/dbraw/zinc/09/47/17/179094717.db2.gz PHTIJEIQRXKHCP-NSHDSACASA-N 1 0 222.332 1.740 20 10 BDCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCOc3ccccc32)C1 ZINC000637931667 351808715 /nfs/dbraw/zinc/80/87/15/351808715.db2.gz FTQHPPKYDMMVGQ-LLVKDONJSA-N 1 0 244.294 1.460 20 10 BDCDRO NC(=O)C[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179582769 181243355 /nfs/dbraw/zinc/24/33/55/181243355.db2.gz KPPBSRBTRZUHMY-NSHDSACASA-N 1 0 248.326 1.480 20 10 BDCDRO NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179553374 181268216 /nfs/dbraw/zinc/26/82/16/181268216.db2.gz NCDJOEODXNQVSW-NSHDSACASA-N 1 0 234.299 1.232 20 10 BDCDRO [NH2+]=C(NCc1ccccc1O)NC1CCCC1 ZINC000066245225 368642249 /nfs/dbraw/zinc/64/22/49/368642249.db2.gz ZMRUZBRZMLOJAJ-UHFFFAOYSA-N 1 0 233.315 1.949 20 10 BDCDRO OCC[C@@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000278502761 183094891 /nfs/dbraw/zinc/09/48/91/183094891.db2.gz ODLAHFIZERTMJR-CYBMUJFWSA-N 1 0 237.299 1.023 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](O)C1 ZINC000179871529 183274578 /nfs/dbraw/zinc/27/45/78/183274578.db2.gz JKORSLQFZOMKQX-NSHDSACASA-N 1 0 225.263 1.488 20 10 BDCDRO Oc1ccccc1C[NH2+]CCC1(O)CCC1 ZINC000283815709 183302481 /nfs/dbraw/zinc/30/24/81/183302481.db2.gz CCPZJRVEJFAUPH-UHFFFAOYSA-N 1 0 221.300 1.787 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000084228022 183303831 /nfs/dbraw/zinc/30/38/31/183303831.db2.gz LOJOXOOXHQVLSA-YPMHNXCESA-N 1 0 221.300 1.643 20 10 BDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](C)O ZINC000194949269 169178908 /nfs/dbraw/zinc/17/89/08/169178908.db2.gz DGHLEDRPVCJGIE-NSHDSACASA-N 1 0 223.316 1.985 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1ccccc1O ZINC000131701964 383836774 /nfs/dbraw/zinc/83/67/74/383836774.db2.gz MTOUGAIKRSRFFX-NSHDSACASA-N 1 0 209.289 1.643 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000066057169 383845152 /nfs/dbraw/zinc/84/51/52/383845152.db2.gz MGMJUDQGJJPKPT-CQSZACIVSA-N 1 0 248.370 1.957 20 10 BDCDRO CCOCC[NH2+]Cc1cc(OC)ccc1O ZINC000036228292 383886277 /nfs/dbraw/zinc/88/62/77/383886277.db2.gz BGPGEKFDOMCOIZ-UHFFFAOYSA-N 1 0 225.288 1.527 20 10 BDCDRO Cn1cc(CC[NH2+]Cc2ccccc2O)cn1 ZINC000112017372 383889225 /nfs/dbraw/zinc/88/92/25/383889225.db2.gz XRCZGRDYZIWRMP-UHFFFAOYSA-N 1 0 231.299 1.458 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000091545527 384133502 /nfs/dbraw/zinc/13/35/02/384133502.db2.gz AKGMIZGFTKWHHO-CMPLNLGQSA-N 1 0 248.326 1.478 20 10 BDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000070589893 384121266 /nfs/dbraw/zinc/12/12/66/384121266.db2.gz GCLLXKUDJSCVBT-ZJUUUORDSA-N 1 0 225.288 1.050 20 10 BDCDRO CCOCC[NH2+]Cc1cc(C)ccc1O ZINC000070955209 384142778 /nfs/dbraw/zinc/14/27/78/384142778.db2.gz LPXHDOSPZSJHQO-UHFFFAOYSA-N 1 0 209.289 1.827 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)N(C)C)c1 ZINC000070955268 384142943 /nfs/dbraw/zinc/14/29/43/384142943.db2.gz LGBBPDOMHHELPT-LLVKDONJSA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000160619148 384421231 /nfs/dbraw/zinc/42/12/31/384421231.db2.gz YSQHYYMFBDYLQH-SNVBAGLBSA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@@H](CCO)C[NH2+]Cc1ccccc1O ZINC000085126585 384491802 /nfs/dbraw/zinc/49/18/02/384491802.db2.gz GSUKVNRPUJPEKI-JTQLQIEISA-N 1 0 209.289 1.500 20 10 BDCDRO C[C@@H]([NH2+]CCOCCO)c1ccccc1O ZINC000020198665 384594961 /nfs/dbraw/zinc/59/49/61/384594961.db2.gz PBTPIRZNGQDKSH-SNVBAGLBSA-N 1 0 225.288 1.052 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000083216053 384751404 /nfs/dbraw/zinc/75/14/04/384751404.db2.gz XZLJDFQLWLQPHY-GHMZBOCLSA-N 1 0 223.316 1.980 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](CCO)C2CC2)c1 ZINC000128125875 384997574 /nfs/dbraw/zinc/99/75/74/384997574.db2.gz LPPCKAYXIRRPCP-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO COC(=O)C1(C[NH2+]Cc2cccc(C)c2O)CC1 ZINC000188668223 385073967 /nfs/dbraw/zinc/07/39/67/385073967.db2.gz WTJZZNUVWUUFOS-UHFFFAOYSA-N 1 0 249.310 1.743 20 10 BDCDRO COC[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179577470 385475486 /nfs/dbraw/zinc/47/54/86/385475486.db2.gz NAZONRWAQRCMCL-LBPRGKRZSA-N 1 0 237.299 1.239 20 10 BDCDRO C[C@@]1(O)CCC[N@H+](Cc2ccccc2O)C1 ZINC000179578399 385476289 /nfs/dbraw/zinc/47/62/89/385476289.db2.gz JGJLSSFIQJVNQB-CYBMUJFWSA-N 1 0 221.300 1.739 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)CC(C)(C)O ZINC000180156868 385509638 /nfs/dbraw/zinc/50/96/38/385509638.db2.gz LTBBRUSOUYPGGS-UHFFFAOYSA-N 1 0 227.279 1.734 20 10 BDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000180195746 385511444 /nfs/dbraw/zinc/51/14/44/385511444.db2.gz LUBIUSZYQRYTRW-LBPRGKRZSA-N 1 0 249.310 1.920 20 10 BDCDRO CC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000229970515 385695884 /nfs/dbraw/zinc/69/58/84/385695884.db2.gz ATUQDPYVNRMQIP-WPRPVWTQSA-N 1 0 227.279 1.953 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000271066201 385781234 /nfs/dbraw/zinc/78/12/34/385781234.db2.gz CJTAKLVXLFAVJP-NSHDSACASA-N 1 0 249.310 1.696 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CCCCO)cc1 ZINC000264028359 386205164 /nfs/dbraw/zinc/20/51/64/386205164.db2.gz OIOIRARPNUVIDU-UHFFFAOYSA-N 1 0 236.359 1.957 20 10 BDCDRO C[C@@H](CCO)C[NH2+]Cc1cc(F)ccc1O ZINC000226612573 386343313 /nfs/dbraw/zinc/34/33/13/386343313.db2.gz KNSLVBRWMDSYDU-VIFPVBQESA-N 1 0 227.279 1.639 20 10 BDCDRO C[C@H](O)C(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000226618407 386343793 /nfs/dbraw/zinc/34/37/93/386343793.db2.gz LTXTZZCFPXLWFP-QMMMGPOBSA-N 1 0 227.279 1.780 20 10 BDCDRO COC[C@H](CCO)[NH2+][C@@H](C)c1ccccc1O ZINC000228793919 386617716 /nfs/dbraw/zinc/61/77/16/386617716.db2.gz SPWVTWJNSOXVAH-QWRGUYRKSA-N 1 0 239.315 1.440 20 10 BDCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)N(C)C ZINC000191805499 387309567 /nfs/dbraw/zinc/30/95/67/387309567.db2.gz KZXHCEFHDUMGKR-QMMMGPOBSA-N 1 0 240.278 1.098 20 10 BDCDRO COC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000234793151 387317547 /nfs/dbraw/zinc/31/75/47/387317547.db2.gz XKLFFSVHHRQAQA-LBPRGKRZSA-N 1 0 239.315 1.101 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000376245053 387614875 /nfs/dbraw/zinc/61/48/75/387614875.db2.gz OQIDGYIHSVUQHU-AAEUAGOBSA-N 1 0 231.299 1.207 20 10 BDCDRO C[C@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000226610783 388724123 /nfs/dbraw/zinc/72/41/23/388724123.db2.gz HIZCABKDXDERCD-MRVPVSSYSA-N 1 0 213.252 1.392 20 10 BDCDRO CC1(C)[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1O ZINC000129577972 168001109 /nfs/dbraw/zinc/00/11/09/168001109.db2.gz ZCALMRZPUBUJTQ-KGLIPLIRSA-N 1 0 247.338 1.871 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1O ZINC000271407542 171087169 /nfs/dbraw/zinc/08/71/69/171087169.db2.gz WZSGUNHIKIWNIY-BXUZGUMPSA-N 1 0 235.327 1.903 20 10 BDCDRO CC[C@@H]1COCC[N@@H+]1Cc1ccc(N)cc1 ZINC000036322306 171106343 /nfs/dbraw/zinc/10/63/43/171106343.db2.gz LJKDKPYAZQABHQ-CYBMUJFWSA-N 1 0 220.316 1.880 20 10 BDCDRO CC[C@@](C)(CO)[NH2+]Cc1cc(OC)ccc1O ZINC000080886383 171170089 /nfs/dbraw/zinc/17/00/89/171170089.db2.gz TWPRLAVIYIFZAK-ZDUSSCGKSA-N 1 0 239.315 1.651 20 10 BDCDRO CC[C@H](C(N)=O)[N@H+](C)Cc1ccccc1O ZINC000109770437 171243436 /nfs/dbraw/zinc/24/34/36/171243436.db2.gz OLBXDVSSQBLNJF-SNVBAGLBSA-N 1 0 222.288 1.088 20 10 BDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC000083362626 171395461 /nfs/dbraw/zinc/39/54/61/171395461.db2.gz RVLJXOCVKMIDBW-CABZTGNLSA-N 1 0 235.331 1.258 20 10 BDCDRO CC[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111340 171452412 /nfs/dbraw/zinc/45/24/12/171452412.db2.gz COJWEHCPVQVWFR-WCBMZHEXSA-N 1 0 227.279 1.953 20 10 BDCDRO CN(C)C(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037752111 172360392 /nfs/dbraw/zinc/36/03/92/172360392.db2.gz POJLPSBLUCAGSP-UHFFFAOYSA-N 1 0 248.326 1.189 20 10 BDCDRO CN(C)C(C)(C)C[NH2+]Cc1cc(F)ccc1O ZINC000226582296 172395322 /nfs/dbraw/zinc/39/53/22/172395322.db2.gz ITNXTSSWSXVFAL-UHFFFAOYSA-N 1 0 240.322 1.961 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC2)cc1 ZINC000070964843 172554369 /nfs/dbraw/zinc/55/43/69/172554369.db2.gz SYBZZUMJRBHEKN-GFCCVEGCSA-N 1 0 220.316 1.631 20 10 BDCDRO CN(C)c1ccc(CN(C)C(=O)CC[NH3+])cc1 ZINC000033465566 172855057 /nfs/dbraw/zinc/85/50/57/172855057.db2.gz MTPLDAKUMOWPTL-UHFFFAOYSA-N 1 0 235.331 1.060 20 10 BDCDRO CN1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000221142968 173034551 /nfs/dbraw/zinc/03/45/51/173034551.db2.gz AJIXNIZMJZTVEJ-CQSZACIVSA-N 1 0 246.354 1.805 20 10 BDCDRO CN1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000297509524 173186992 /nfs/dbraw/zinc/18/69/92/173186992.db2.gz CLBFIDQYEITBBP-QWRGUYRKSA-N 1 0 246.310 1.200 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)CC(C)(C)O)c1 ZINC000271878200 175158093 /nfs/dbraw/zinc/15/80/93/175158093.db2.gz UKDQHGYYNBXZOY-UHFFFAOYSA-N 1 0 239.315 1.604 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCOC(C)C)c1 ZINC000168956049 175158671 /nfs/dbraw/zinc/15/86/71/175158671.db2.gz RGJLJRNEKZOBEK-UHFFFAOYSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCN(C)C2)c1 ZINC000042545250 175158786 /nfs/dbraw/zinc/15/87/86/175158786.db2.gz MOQWQIYSHSIMTC-NSHDSACASA-N 1 0 236.315 1.195 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)OC)c1 ZINC000290941387 175159025 /nfs/dbraw/zinc/15/90/25/175159025.db2.gz PXTOBBFHUTZBGK-NXEZZACHSA-N 1 0 239.315 1.914 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)c2cn[nH]c2)c1 ZINC000224935422 175159569 /nfs/dbraw/zinc/15/95/69/175159569.db2.gz AVERPQRYTUTPMX-VIFPVBQESA-N 1 0 247.298 1.975 20 10 BDCDRO COc1cccc(C[N@H+](C)[C@@H](C)CO)c1O ZINC000289454036 175255419 /nfs/dbraw/zinc/25/54/19/175255419.db2.gz NOSJZYNRDPJJKG-VIFPVBQESA-N 1 0 225.288 1.213 20 10 BDCDRO COc1cccc(C[NH2+]CC2=CCCOC2)c1O ZINC000288499101 175263578 /nfs/dbraw/zinc/26/35/78/175263578.db2.gz RPUDZADEZYDQJP-UHFFFAOYSA-N 1 0 249.310 1.837 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1O ZINC000152942126 175266592 /nfs/dbraw/zinc/26/65/92/175266592.db2.gz AIEUIAKITOEFJA-UTUOFQBUSA-N 1 0 249.310 1.810 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2CCCOC2)c1O ZINC000109543595 175267744 /nfs/dbraw/zinc/26/77/44/175267744.db2.gz AGHJHHRDMGKAPF-NSHDSACASA-N 1 0 237.299 1.669 20 10 BDCDRO C[C@@H](O)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227963348 175950012 /nfs/dbraw/zinc/95/00/12/175950012.db2.gz HNCBLSYHPIUVBG-LLVKDONJSA-N 1 0 235.327 1.872 20 10 BDCDRO C[C@@H]1COCC[N@H+](Cc2ccccc2O)C1 ZINC000369450280 176332329 /nfs/dbraw/zinc/33/23/29/176332329.db2.gz CJGUVPJQMVVUJQ-NSHDSACASA-N 1 0 221.300 1.861 20 10 BDCDRO C[C@H]1CN(Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC000083368863 177260077 /nfs/dbraw/zinc/26/00/77/177260077.db2.gz NMMDMEAHCWQPCY-VIFPVBQESA-N 1 0 240.734 1.839 20 10 BDCDRO Oc1c(F)cccc1CNCC12CC(C1)C[NH2+]2 ZINC000853246016 588728583 /nfs/dbraw/zinc/72/85/83/588728583.db2.gz GVCUNLWUPFEDLP-UHFFFAOYSA-N 1 0 236.290 1.373 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1cc(C)c(C)cc1O ZINC000853249348 588728774 /nfs/dbraw/zinc/72/87/74/588728774.db2.gz PXKPUKBCCPLSFB-LLVKDONJSA-N 1 0 222.332 1.707 20 10 BDCDRO CCOc1ccc(CN[C@H](C)C[NH2+]C)c(O)c1 ZINC000853248658 588728980 /nfs/dbraw/zinc/72/89/80/588728980.db2.gz IEIWEMUKPUPGHA-SNVBAGLBSA-N 1 0 238.331 1.488 20 10 BDCDRO CC(=O)NCCC[N@@H+](C)Cc1ccccc1O ZINC000111235784 588731362 /nfs/dbraw/zinc/73/13/62/588731362.db2.gz UMFWPXBENRNZTN-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccccc1O ZINC000854230949 588780986 /nfs/dbraw/zinc/78/09/86/588780986.db2.gz CDAHMAHFXOIJMU-ZJUUUORDSA-N 1 0 208.305 1.651 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccccc1O ZINC000854230946 588781013 /nfs/dbraw/zinc/78/10/13/588781013.db2.gz CDAHMAHFXOIJMU-UWVGGRQHSA-N 1 0 208.305 1.651 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(F)cc1O ZINC000854231103 588779743 /nfs/dbraw/zinc/77/97/43/588779743.db2.gz DTCFXQOFXRBPGM-RKDXNWHRSA-N 1 0 226.295 1.790 20 10 BDCDRO COCC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000112018149 588780267 /nfs/dbraw/zinc/78/02/67/588780267.db2.gz QYDBBYNGCVVGNN-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO C[C@@H](NC(=O)N[C@@H](C)C[NH3+])c1ccccc1O ZINC000892089667 582788834 /nfs/dbraw/zinc/78/88/34/582788834.db2.gz VSRCXCPRGJAOOB-DTWKUNHWSA-N 1 0 237.303 1.100 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000853249794 583030794 /nfs/dbraw/zinc/03/07/94/583030794.db2.gz VVJIPAYHGWCBNX-SNVBAGLBSA-N 1 0 239.338 1.589 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cncn2C)c1 ZINC000114505712 588874910 /nfs/dbraw/zinc/87/49/10/588874910.db2.gz KCVZXAJCFUIPQD-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H](O)C2)c1O ZINC000893947512 583259405 /nfs/dbraw/zinc/25/94/05/583259405.db2.gz XCYUNOWQOYUPKE-NSHDSACASA-N 1 0 237.299 1.276 20 10 BDCDRO CO[C@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000877465311 583316256 /nfs/dbraw/zinc/31/62/56/583316256.db2.gz SWUAWPOBVKGJEA-SNVBAGLBSA-N 1 0 209.289 1.825 20 10 BDCDRO COc1cc(C)cc(C[NH2+]Cc2cc[nH]n2)c1O ZINC000894165712 583323412 /nfs/dbraw/zinc/32/34/12/583323412.db2.gz SELXGPIBVUNMSY-UHFFFAOYSA-N 1 0 247.298 1.722 20 10 BDCDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccccc2O)C1 ZINC000877754007 583345600 /nfs/dbraw/zinc/34/56/00/583345600.db2.gz WFYFQLQDFYARDJ-LBPRGKRZSA-N 1 0 235.327 1.985 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2COCO2)c1O ZINC000894875711 583541484 /nfs/dbraw/zinc/54/14/84/583541484.db2.gz IPFSYRIROSFMLD-NSHDSACASA-N 1 0 223.272 1.163 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788269453 583599865 /nfs/dbraw/zinc/59/98/65/583599865.db2.gz NRVMJFHJCGSIIE-ONGXEEELSA-N 1 0 237.299 1.356 20 10 BDCDRO CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(O)c1 ZINC000895645429 583700540 /nfs/dbraw/zinc/70/05/40/583700540.db2.gz BZBLIGQYEDUEQO-FZMZJTMJSA-N 1 0 249.310 1.358 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895651665 583703077 /nfs/dbraw/zinc/70/30/77/583703077.db2.gz BBEFTJDXFMEUQM-DGCLKSJQSA-N 1 0 219.284 1.267 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC000897675613 584035487 /nfs/dbraw/zinc/03/54/87/584035487.db2.gz AUWIAENZJMZSSZ-MFKMUULPSA-N 1 0 221.300 1.513 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897684008 584040131 /nfs/dbraw/zinc/04/01/31/584040131.db2.gz JCLFFDBFUCOINX-GXFFZTMASA-N 1 0 221.300 1.513 20 10 BDCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000897684877 584040432 /nfs/dbraw/zinc/04/04/32/584040432.db2.gz YHTRMTLNWXJSSK-QPUJVOFHSA-N 1 0 241.718 1.858 20 10 BDCDRO Cc1ccc(O)c(CNC[C@H]2CCC[NH2+]2)c1 ZINC000841035729 584042774 /nfs/dbraw/zinc/04/27/74/584042774.db2.gz LAUAGPSVQBMVAZ-GFCCVEGCSA-N 1 0 220.316 1.542 20 10 BDCDRO CCc1cccc(C[NH2+][C@@]2(C)CCNC2=O)c1O ZINC000897868850 584055575 /nfs/dbraw/zinc/05/55/75/584055575.db2.gz NEGIOMYGNGISAV-AWEZNQCLSA-N 1 0 248.326 1.323 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c(O)c1 ZINC000898182390 584093518 /nfs/dbraw/zinc/09/35/18/584093518.db2.gz COISBHRVJRYUEW-NEPJUHHUSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000841059551 584126260 /nfs/dbraw/zinc/12/62/60/584126260.db2.gz UJYDYXAGSDGXKZ-DGCLKSJQSA-N 1 0 234.343 1.788 20 10 BDCDRO NOCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000902415067 584601073 /nfs/dbraw/zinc/60/10/73/584601073.db2.gz KIGWFXJSZVTJTO-SNVBAGLBSA-N 1 0 222.288 1.250 20 10 BDCDRO OC[C@@H]1CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000902631550 584646868 /nfs/dbraw/zinc/64/68/68/584646868.db2.gz YXIOSPDWMQFKFO-NSHDSACASA-N 1 0 244.294 1.507 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@H](C)[C@@H](C)[NH3+] ZINC000841076959 584764454 /nfs/dbraw/zinc/76/44/54/584764454.db2.gz UUCLIABKEAKQTN-VXGBXAGGSA-N 1 0 235.375 1.886 20 10 BDCDRO Nc1ccc(CC[NH2+]C[C@H](N)CC(F)F)cc1 ZINC000903917348 584826800 /nfs/dbraw/zinc/82/68/00/584826800.db2.gz LLEXJOORUUIPBO-LLVKDONJSA-N 1 0 243.301 1.383 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(N(C)C)cc1 ZINC000903960611 584828396 /nfs/dbraw/zinc/82/83/96/584828396.db2.gz QYOSIPPUPFYHFJ-BXUZGUMPSA-N 1 0 233.359 1.450 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CNOC1 ZINC000904427227 584881672 /nfs/dbraw/zinc/88/16/72/584881672.db2.gz SDVKPNKHOYKETB-ZETCQYMHSA-N 1 0 228.679 1.039 20 10 BDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1O ZINC000731872987 584930006 /nfs/dbraw/zinc/93/00/06/584930006.db2.gz VCENYBVUPQGINV-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO CCOc1ccc(C[NH2+]CC[C@@H](C)O)c(O)c1 ZINC000767925175 584947957 /nfs/dbraw/zinc/94/79/57/584947957.db2.gz AAHWJYFMZVOPGK-SNVBAGLBSA-N 1 0 239.315 1.651 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@]23C[C@H]2COC3)cc1C ZINC000886200472 585112473 /nfs/dbraw/zinc/11/24/73/585112473.db2.gz NEIIOWYAUQQIAH-JSGCOSHPSA-N 1 0 233.311 1.888 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CCN(C)C1 ZINC000756116797 585314706 /nfs/dbraw/zinc/31/47/06/585314706.db2.gz BSCWCEZCRONIAR-CQSZACIVSA-N 1 0 247.386 1.855 20 10 BDCDRO CCOc1ccc(C[N@H+](C)CCO)c(O)c1 ZINC000768136697 585532679 /nfs/dbraw/zinc/53/26/79/585532679.db2.gz BSZLZHHYXVHDRC-UHFFFAOYSA-N 1 0 225.288 1.215 20 10 BDCDRO CCN(C)c1ccc(C[N@H+](CC)CCO)cc1 ZINC000773748018 585643275 /nfs/dbraw/zinc/64/32/75/585643275.db2.gz LVXUMFUFMGUJOJ-UHFFFAOYSA-N 1 0 236.359 1.957 20 10 BDCDRO C[C@@H](NC(=O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776270079 585694105 /nfs/dbraw/zinc/69/41/05/585694105.db2.gz PIWHOGOYCLIERJ-LLVKDONJSA-N 1 0 249.358 1.491 20 10 BDCDRO Oc1cc2c(cc1C[N@H+]1CC=CCC1)[C@H](O)CO2 ZINC000778577623 585737789 /nfs/dbraw/zinc/73/77/89/585737789.db2.gz SZGULQGNLDKSOB-CYBMUJFWSA-N 1 0 247.294 1.580 20 10 BDCDRO CC[C@@]1(O)CC[N@H+](Cc2ccccc2O)C1 ZINC000779217439 585747561 /nfs/dbraw/zinc/74/75/61/585747561.db2.gz UMDMSWPZWBHDRR-CYBMUJFWSA-N 1 0 221.300 1.739 20 10 BDCDRO CC[C@]1(O)CC[N@H+](Cc2ccccc2O)C1 ZINC000779217662 585747577 /nfs/dbraw/zinc/74/75/77/585747577.db2.gz UMDMSWPZWBHDRR-ZDUSSCGKSA-N 1 0 221.300 1.739 20 10 BDCDRO NC(=O)CC1([NH2+]Cc2ccccc2O)CCC1 ZINC000779512264 585755984 /nfs/dbraw/zinc/75/59/84/585755984.db2.gz XWKBIYKWJJSBHV-UHFFFAOYSA-N 1 0 234.299 1.280 20 10 BDCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000788268490 585920401 /nfs/dbraw/zinc/92/04/01/585920401.db2.gz DLEGAVLLHHKIBJ-FZMZJTMJSA-N 1 0 234.343 1.708 20 10 BDCDRO C[C@@H]([NH2+]CCN)c1cc2c(cc1O)CCCC2 ZINC000817934063 586842858 /nfs/dbraw/zinc/84/28/58/586842858.db2.gz BEQBZTLEMOIZER-SNVBAGLBSA-N 1 0 234.343 1.880 20 10 BDCDRO CC[C@@H](NCC[NH2+]C)c1ccc(C)cc1O ZINC000817953289 586849038 /nfs/dbraw/zinc/84/90/38/586849038.db2.gz YUFDFXMVLAVGMP-GFCCVEGCSA-N 1 0 222.332 1.961 20 10 BDCDRO Cc1cc(C)c([C@H](C)NC2C[NH2+]C2)c(O)c1 ZINC000817956204 586849612 /nfs/dbraw/zinc/84/96/12/586849612.db2.gz SZFZXEHQWWYQTC-JTQLQIEISA-N 1 0 220.316 1.631 20 10 BDCDRO C[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957636 586850699 /nfs/dbraw/zinc/85/06/99/586850699.db2.gz NHBJGIHSTBYUOL-FZMZJTMJSA-N 1 0 234.343 1.826 20 10 BDCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccnn1C ZINC000817956821 586850890 /nfs/dbraw/zinc/85/08/90/586850890.db2.gz DNEULFXMYJIDND-NSHDSACASA-N 1 0 244.342 1.896 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817965930 586854737 /nfs/dbraw/zinc/85/47/37/586854737.db2.gz XCTLLZKVBKZMII-PRHODGIISA-N 1 0 238.306 1.919 20 10 BDCDRO COCCNCC[NH2+][C@H](C)c1ccccc1O ZINC000817965746 586855441 /nfs/dbraw/zinc/85/54/41/586855441.db2.gz ZQCVKABJQUCHKS-LLVKDONJSA-N 1 0 238.331 1.279 20 10 BDCDRO C[C@H]([NH3+])CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817972185 586859011 /nfs/dbraw/zinc/85/90/11/586859011.db2.gz UWPPINVTCIYUCL-QWRGUYRKSA-N 1 0 221.348 1.750 20 10 BDCDRO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N(C)C)cc1 ZINC000817976519 586860233 /nfs/dbraw/zinc/86/02/33/586860233.db2.gz MWSLVCGSEZUDPW-RABLLNBGSA-N 1 0 245.370 1.621 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827293414 587375634 /nfs/dbraw/zinc/37/56/34/587375634.db2.gz YTUHRQDIZGZCDW-GXTWGEPZSA-N 1 0 233.311 1.657 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C1([NH+](C)C)CC1 ZINC000830141468 587538906 /nfs/dbraw/zinc/53/89/06/587538906.db2.gz UZFMLEPWHZNAFG-UHFFFAOYSA-N 1 0 248.326 1.445 20 10 BDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244144 587652194 /nfs/dbraw/zinc/65/21/94/587652194.db2.gz LWHABRWHCIXCKS-KCJUWKMLSA-N 1 0 219.288 1.205 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000835054318 587779501 /nfs/dbraw/zinc/77/95/01/587779501.db2.gz JWKRTKKGNKTYIK-ULXIHLMXSA-N 1 0 246.354 1.879 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](C)O ZINC000840928561 587930269 /nfs/dbraw/zinc/93/02/69/587930269.db2.gz YSKLMEFJJHDYAH-LLVKDONJSA-N 1 0 222.332 1.531 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(=O)N(C)C ZINC000840937847 587930715 /nfs/dbraw/zinc/93/07/15/587930715.db2.gz YLZMNJWRDHMIGA-UHFFFAOYSA-N 1 0 249.358 1.239 20 10 BDCDRO COC(=O)[C@@H](CC1CC1)NCc1ccccc1O ZINC000840957717 587931539 /nfs/dbraw/zinc/93/15/39/587931539.db2.gz MPGJWBDCEAHKKJ-GFCCVEGCSA-N 1 0 249.310 1.824 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000840951605 587931629 /nfs/dbraw/zinc/93/16/29/587931629.db2.gz CKEBQFBOXMVLJA-XBXGTLAGSA-N 1 0 234.343 1.674 20 10 BDCDRO NC[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000841028766 587936162 /nfs/dbraw/zinc/93/61/62/587936162.db2.gz REWWOTUJCLFAAY-NSHDSACASA-N 1 0 206.289 1.219 20 10 BDCDRO CC(C)[C@@H]([NH3+])C[NH2+]Cc1cccc(F)c1[O-] ZINC000841029034 587936212 /nfs/dbraw/zinc/93/62/12/587936212.db2.gz DKLSRZAZGSAWLT-NSHDSACASA-N 1 0 226.295 1.604 20 10 BDCDRO [O-]c1c(F)cccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000841032545 587937000 /nfs/dbraw/zinc/93/70/00/587937000.db2.gz GOAIQEOKYUERPJ-SNVBAGLBSA-N 1 0 238.306 1.621 20 10 BDCDRO C[NH2+]CCNCc1ccc(N(C)C)cc1C ZINC000841037772 587937931 /nfs/dbraw/zinc/93/79/31/587937931.db2.gz VMWNHFCDCUXMBX-UHFFFAOYSA-N 1 0 221.348 1.370 20 10 BDCDRO CN(C)c1ccc(/C=C\CN[C@H]2CC[NH2+]C2)cc1 ZINC000841045485 587938917 /nfs/dbraw/zinc/93/89/17/587938917.db2.gz WJEULSHDCWYREH-NQHOJNORSA-N 1 0 245.370 1.717 20 10 BDCDRO COc1cccc(CN[C@@H]2CCC[NH2+]C2)c1O ZINC000841043662 587938958 /nfs/dbraw/zinc/93/89/58/587938958.db2.gz UWQLBEXCZCHNDR-LLVKDONJSA-N 1 0 236.315 1.242 20 10 BDCDRO [NH3+][C@H](CNCc1cc(F)ccc1O)C1CC1 ZINC000841049303 587939786 /nfs/dbraw/zinc/93/97/86/587939786.db2.gz JPBXUQKSCZBVGV-LLVKDONJSA-N 1 0 224.279 1.358 20 10 BDCDRO Cc1cc(O)c(CNCC(F)(F)CN)cc1C ZINC000841059591 587940647 /nfs/dbraw/zinc/94/06/47/587940647.db2.gz GIPXMYKZUABBAF-UHFFFAOYSA-N 1 0 244.285 1.693 20 10 BDCDRO C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841062602 587941421 /nfs/dbraw/zinc/94/14/21/587941421.db2.gz AWKYRBZSGXDTNV-JOYOIKCWSA-N 1 0 238.306 1.619 20 10 BDCDRO Cc1cccc(CN[C@H]2CCC[NH2+][C@H]2C)c1O ZINC000841065609 587942878 /nfs/dbraw/zinc/94/28/78/587942878.db2.gz RFYJJCUYYAFGGG-AAEUAGOBSA-N 1 0 234.343 1.931 20 10 BDCDRO [O-]c1c(F)cccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000841093498 587946341 /nfs/dbraw/zinc/94/63/41/587946341.db2.gz UEIZGXNRYANDSG-UHFFFAOYSA-N 1 0 238.306 1.763 20 10 BDCDRO Oc1ccccc1CN1CC[C@]2(CCC[NH2+]2)C1 ZINC000841105413 587946466 /nfs/dbraw/zinc/94/64/66/587946466.db2.gz KFFISEFLZSBNEY-CQSZACIVSA-N 1 0 232.327 1.720 20 10 BDCDRO C[C@H]1CN(C(=O)Cc2ccc(N)cc2)[C@@H](C)C[NH2+]1 ZINC000841849470 587977546 /nfs/dbraw/zinc/97/75/46/587977546.db2.gz WHRDXWPTDQCMCG-QWRGUYRKSA-N 1 0 247.342 1.020 20 10 BDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)Cc1ccc(N)cc1 ZINC000841849471 587977588 /nfs/dbraw/zinc/97/75/88/587977588.db2.gz WHRDXWPTDQCMCG-WDEREUQCSA-N 1 0 247.342 1.020 20 10 BDCDRO Oc1c(F)cccc1CN1CCC[NH2+]CC1 ZINC000843045442 588075886 /nfs/dbraw/zinc/07/58/86/588075886.db2.gz QPFUCQBWDZPEKR-UHFFFAOYSA-N 1 0 224.279 1.327 20 10 BDCDRO CN(C)c1ccc(/C=C/CN2CC[C@H]([NH3+])C2)cc1 ZINC000843047407 588075970 /nfs/dbraw/zinc/07/59/70/588075970.db2.gz UKACUYQNMRELBJ-XGACYXMMSA-N 1 0 245.370 1.799 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CCC[C@@H]([NH3+])C1 ZINC000843047333 588076456 /nfs/dbraw/zinc/07/64/56/588076456.db2.gz LVDJSYJFNHSKBG-CQSZACIVSA-N 1 0 247.386 1.984 20 10 BDCDRO C[NH2+][C@@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000843048557 588076543 /nfs/dbraw/zinc/07/65/43/588076543.db2.gz HIASOABELCXPLI-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO C[C@H](C[NH3+])N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000843052710 588077039 /nfs/dbraw/zinc/07/70/39/588077039.db2.gz VWEJZHGSNXXFLH-SNVBAGLBSA-N 1 0 239.338 1.671 20 10 BDCDRO C[NH2+]CCN(C)C/C=C/c1ccc(N(C)C)cc1 ZINC000843057767 588077782 /nfs/dbraw/zinc/07/77/82/588077782.db2.gz UPNYVOONHNXEAB-AATRIKPKSA-N 1 0 247.386 1.917 20 10 BDCDRO Cc1cccc(CN2CC[NH2+][C@@H](C)[C@H]2C)c1O ZINC000843058277 588078003 /nfs/dbraw/zinc/07/80/03/588078003.db2.gz QSMRZGWLHWAIGT-NWDGAFQWSA-N 1 0 234.343 1.883 20 10 BDCDRO CN(C[C@@]1(C)CC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000843069587 588079010 /nfs/dbraw/zinc/07/90/10/588079010.db2.gz RWHZDAWEHDDWGC-AWEZNQCLSA-N 1 0 248.326 1.851 20 10 BDCDRO COc1cccc(O)c1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000843120634 588083883 /nfs/dbraw/zinc/08/38/83/588083883.db2.gz RYMHZHZEZOPVEV-MWLCHTKSSA-N 1 0 236.315 1.180 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]CCCO)c1O ZINC000846138542 588258339 /nfs/dbraw/zinc/25/83/39/588258339.db2.gz WCVVVJPQWXMNOK-VIFPVBQESA-N 1 0 225.288 1.434 20 10 BDCDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1ccccc1O ZINC000846207674 588260077 /nfs/dbraw/zinc/26/00/77/588260077.db2.gz BCJSORLFVRDVDB-NXEZZACHSA-N 1 0 227.279 1.763 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000846662824 588281411 /nfs/dbraw/zinc/28/14/11/588281411.db2.gz YGKDUIITLMRWAM-SNVBAGLBSA-N 1 0 233.315 1.597 20 10 BDCDRO O=C(NCc1ccccc1O)[C@@H]1CCC[NH2+]CC1 ZINC000846676872 588281985 /nfs/dbraw/zinc/28/19/85/588281985.db2.gz JWQULDXWRSFHNC-LLVKDONJSA-N 1 0 248.326 1.398 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848393237 588376653 /nfs/dbraw/zinc/37/66/53/588376653.db2.gz WADVVWJOSWXJOS-JSGCOSHPSA-N 1 0 245.326 1.597 20 10 BDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC000848877097 588416418 /nfs/dbraw/zinc/41/64/18/588416418.db2.gz PUKSHDAYTSSLCN-CYBMUJFWSA-N 1 0 235.327 1.911 20 10 BDCDRO CCc1cccc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000848897369 588417445 /nfs/dbraw/zinc/41/74/45/588417445.db2.gz PSSMMIAQHZLUID-CYBMUJFWSA-N 1 0 235.327 1.815 20 10 BDCDRO CCc1cccc(C[NH+]2CC(C)(C(N)=O)C2)c1O ZINC000848918957 588421072 /nfs/dbraw/zinc/42/10/72/588421072.db2.gz CETNZBOWHNQSLX-UHFFFAOYSA-N 1 0 248.326 1.262 20 10 BDCDRO C[C@H]1CN(C(=[NH2+])NCc2ccccc2O)CCO1 ZINC000848984857 588425191 /nfs/dbraw/zinc/42/51/91/588425191.db2.gz MAJWEVPJUCWZCK-JTQLQIEISA-N 1 0 249.314 1.137 20 10 BDCDRO COc1ccc(CNC(=[NH2+])NC2CCC2)c(O)c1 ZINC000849025143 588440330 /nfs/dbraw/zinc/44/03/30/588440330.db2.gz PSUKXLNNOMETRL-UHFFFAOYSA-N 1 0 249.314 1.567 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000850387952 588543462 /nfs/dbraw/zinc/54/34/62/588543462.db2.gz DOZKJYXMXWRGNY-OLZOCXBDSA-N 1 0 233.311 1.785 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000850578605 588561898 /nfs/dbraw/zinc/56/18/98/588561898.db2.gz LZMMZDFMZMCHJO-OPRDCNLKSA-N 1 0 237.299 1.575 20 10 BDCDRO Nc1ccc(CCNC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000852795933 588703403 /nfs/dbraw/zinc/70/34/03/588703403.db2.gz MJIVRCAQVFRFFM-QWHCGFSZSA-N 1 0 247.342 1.055 20 10 BDCDRO CC[C@H](C)[N@H+](CCO)Cc1ccccc1O ZINC000862386735 589206011 /nfs/dbraw/zinc/20/60/11/589206011.db2.gz BBNILDCQPWUILM-NSHDSACASA-N 1 0 223.316 1.985 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1cccc(Cl)c1[O-] ZINC000863486842 589293390 /nfs/dbraw/zinc/29/33/90/589293390.db2.gz GMMYFOBTZVZNEC-GZMMTYOYSA-N 1 0 240.734 1.886 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCc2cccc(O)c21 ZINC000863548034 589298482 /nfs/dbraw/zinc/29/84/82/589298482.db2.gz MZXSZUURTNGLOY-MVWJERBFSA-N 1 0 232.327 1.720 20 10 BDCDRO CCN(CC[NH3+])Cc1cccc(C)c1O ZINC000863644065 589307239 /nfs/dbraw/zinc/30/72/39/589307239.db2.gz INKKIYXGYYJNFG-UHFFFAOYSA-N 1 0 208.305 1.481 20 10 BDCDRO CCOc1ccc(O)c(CN(C)C[C@@H](C)[NH3+])c1 ZINC000863653488 589308224 /nfs/dbraw/zinc/30/82/24/589308224.db2.gz LFCGHAIXLQHPJA-SNVBAGLBSA-N 1 0 238.331 1.570 20 10 BDCDRO Oc1ccccc1C[NH2+]CC1(O)CCC1 ZINC000123175328 589671124 /nfs/dbraw/zinc/67/11/24/589671124.db2.gz FYGYETFWFTZPMV-UHFFFAOYSA-N 1 0 207.273 1.397 20 10 BDCDRO C[C@@H]([NH3+])CC(=O)N[C@@H](C)c1ccccc1O ZINC000870987713 589706867 /nfs/dbraw/zinc/70/68/67/589706867.db2.gz BBDQFDQURIUISO-BDAKNGLRSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@H](NC(=O)C(C)(C)C[NH3+])c1ccccc1O ZINC000870988213 589706969 /nfs/dbraw/zinc/70/69/69/589706969.db2.gz JBPUJKQSPSCEOP-VIFPVBQESA-N 1 0 236.315 1.554 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@@H]1C)c1ccccc1O ZINC000870988328 589707011 /nfs/dbraw/zinc/70/70/11/589707011.db2.gz MTASIQKVRWDBFL-CKYFFXLPSA-N 1 0 248.326 1.567 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1O ZINC000870988536 589707025 /nfs/dbraw/zinc/70/70/25/589707025.db2.gz SAFYUEUXMXKPBF-WCQGTBRESA-N 1 0 248.326 1.697 20 10 BDCDRO C[C@@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])c1ccccc1O ZINC000870988341 589707049 /nfs/dbraw/zinc/70/70/49/589707049.db2.gz MTFFTBCUXMCUJH-LPEHRKFASA-N 1 0 236.315 1.553 20 10 BDCDRO C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1ccccc1O ZINC000870988563 589707123 /nfs/dbraw/zinc/70/71/23/589707123.db2.gz SNMSONWTUKBZNJ-TVQRCGJNSA-N 1 0 248.326 1.697 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000870988330 589707268 /nfs/dbraw/zinc/70/72/68/589707268.db2.gz MTASIQKVRWDBFL-HOSYDEDBSA-N 1 0 248.326 1.567 20 10 BDCDRO COc1ccc2c(c1)CCN2CC12CC(C1)C[NH2+]2 ZINC000873201308 589992836 /nfs/dbraw/zinc/99/28/36/589992836.db2.gz QRCMEDVJCCYOFI-UHFFFAOYSA-N 1 0 244.338 1.810 20 10 BDCDRO CC[NH2+][C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000876504810 590204075 /nfs/dbraw/zinc/20/40/75/590204075.db2.gz XNIXBRUUESVWGB-QMMMGPOBSA-N 1 0 207.277 1.205 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](CO)C1 ZINC000876510395 590205559 /nfs/dbraw/zinc/20/55/59/590205559.db2.gz UXCBGUKERKCISX-GFCCVEGCSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CCN(C)CC1 ZINC000876510242 590205584 /nfs/dbraw/zinc/20/55/84/590205584.db2.gz RQTMIXWRCCLQMZ-UHFFFAOYSA-N 1 0 220.316 1.448 20 10 BDCDRO Cc1ccc(C[N@H+](C)CC(=O)NC2CC2)c(O)c1 ZINC000876549885 590214576 /nfs/dbraw/zinc/21/45/76/590214576.db2.gz YHGHRYORCGHCQF-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[N@H+]2CCOC[C@H]2C)c(O)c1 ZINC000876610851 590222159 /nfs/dbraw/zinc/22/21/59/590222159.db2.gz KEDJJIOIGAAZNH-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)C(F)(F)F ZINC000876966825 590262264 /nfs/dbraw/zinc/26/22/64/590262264.db2.gz WSCGARXBHRNGCP-JTQLQIEISA-N 1 0 249.232 1.713 20 10 BDCDRO Cc1ccc(C[NH2+]CCC(=O)N(C)C)c(O)c1 ZINC000876989808 590265546 /nfs/dbraw/zinc/26/55/46/590265546.db2.gz GPGWQMZJSUPBNK-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)[C@@H](C)CO)c(O)c1 ZINC000877057454 590275850 /nfs/dbraw/zinc/27/58/50/590275850.db2.gz FCUHILBRTHWRCN-WDEREUQCSA-N 1 0 223.316 1.807 20 10 BDCDRO C[C@@H]([NH2+]C1CC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078012 590279033 /nfs/dbraw/zinc/27/90/33/590279033.db2.gz ZDDHTJKVTDLCTI-SECBINFHSA-N 1 0 233.315 1.372 20 10 BDCDRO CN(C(=O)C1([NH3+])CCCC1)c1ccc(N)cc1 ZINC000877078908 590279244 /nfs/dbraw/zinc/27/92/44/590279244.db2.gz JDJMXKPRTIXUKV-UHFFFAOYSA-N 1 0 233.315 1.503 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CCOC2)c(O)c1 ZINC000877113016 590287440 /nfs/dbraw/zinc/28/74/40/590287440.db2.gz XXDWDGNXMUHVKK-NSHDSACASA-N 1 0 207.273 1.579 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000877463039 590332451 /nfs/dbraw/zinc/33/24/51/590332451.db2.gz YYMQTQMLMWKSTD-RISCZKNCSA-N 1 0 233.311 1.515 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](C)CCCCO ZINC000877471755 590335082 /nfs/dbraw/zinc/33/50/82/590335082.db2.gz ZLJSFNCSMGJTAD-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)c(O)c1 ZINC000877503769 590343153 /nfs/dbraw/zinc/34/31/53/590343153.db2.gz AGPQUKPNUAIFTA-CYBMUJFWSA-N 1 0 239.290 1.607 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC(=O)NC1CC1 ZINC000877531593 590349071 /nfs/dbraw/zinc/34/90/71/590349071.db2.gz PEQUYNBLKKQUAN-UHFFFAOYSA-N 1 0 234.299 1.069 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)c(O)c1 ZINC000877547291 590353015 /nfs/dbraw/zinc/35/30/15/590353015.db2.gz SIWYJZDPLAGJLY-JSGCOSHPSA-N 1 0 246.354 1.837 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000877576900 590364088 /nfs/dbraw/zinc/36/40/88/590364088.db2.gz RFWFJUIHZNICEC-PWSUYJOCSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)C1(CO)CC1 ZINC000877641927 590382220 /nfs/dbraw/zinc/38/22/20/590382220.db2.gz LPBUBUDGLLARPB-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO C[C@@H]([NH2+]CCC1OCCO1)c1ccccc1O ZINC000879649342 590841551 /nfs/dbraw/zinc/84/15/51/590841551.db2.gz NZEKWQIEQAJSBK-SNVBAGLBSA-N 1 0 237.299 1.806 20 10 BDCDRO C[C@H]([NH2+]CCc1cn[nH]n1)c1ccccc1O ZINC000879650852 590844045 /nfs/dbraw/zinc/84/40/45/590844045.db2.gz TZEUHTGUHZWYNL-VIFPVBQESA-N 1 0 232.287 1.404 20 10 BDCDRO Cc1cc(O)c(C[N@@H+](C)C[C@H](C)O)cc1C ZINC000130759256 591516291 /nfs/dbraw/zinc/51/62/91/591516291.db2.gz XJLJNKCEEOKFAX-NSHDSACASA-N 1 0 223.316 1.822 20 10 BDCDRO C[C@H](CC[NH2+]Cc1ccccc1O)[S@@](C)=O ZINC000132556402 591718515 /nfs/dbraw/zinc/71/85/15/591718515.db2.gz YOROUQMTHCOGTQ-HWPZZCPQSA-N 1 0 241.356 1.639 20 10 BDCDRO CCNC(=O)C[N@H+](C)Cc1cc(C)ccc1O ZINC000133177069 591776578 /nfs/dbraw/zinc/77/65/78/591776578.db2.gz QFIAEGGIVBCXAN-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO COc1cccc(C[NH2+]CC(C)(C)OC)c1O ZINC000135232792 591998160 /nfs/dbraw/zinc/99/81/60/591998160.db2.gz UGBOKYPKCWSALS-UHFFFAOYSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1C ZINC000135729665 592042406 /nfs/dbraw/zinc/04/24/06/592042406.db2.gz YVYUFTCSVKNZGX-JTQLQIEISA-N 1 0 236.315 1.357 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000219383500 592223837 /nfs/dbraw/zinc/22/38/37/592223837.db2.gz DJVYJILVSFCEDN-LLVKDONJSA-N 1 0 224.279 1.325 20 10 BDCDRO CCN(CC[NH3+])Cc1cccc(OC)c1O ZINC000300870712 592522932 /nfs/dbraw/zinc/52/29/32/592522932.db2.gz XEMVRSNXDVAFEQ-UHFFFAOYSA-N 1 0 224.304 1.181 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H](C)CF ZINC000308901267 631722376 /nfs/dbraw/zinc/72/23/76/631722376.db2.gz BXWPFRJYISFRQX-QMMMGPOBSA-N 1 0 213.252 1.848 20 10 BDCDRO CCCN(CC[NH3+])Cc1ccccc1O ZINC000308871795 632036808 /nfs/dbraw/zinc/03/68/08/632036808.db2.gz ZHIYANVUGQWUSX-UHFFFAOYSA-N 1 0 208.305 1.563 20 10 BDCDRO CC(C)[C@H](CO)C[NH2+]Cc1ccccc1O ZINC000309643548 632610665 /nfs/dbraw/zinc/61/06/65/632610665.db2.gz VGMLXKHNYMDCBV-LBPRGKRZSA-N 1 0 223.316 1.746 20 10 BDCDRO C[NH2+]C[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000092134795 632961521 /nfs/dbraw/zinc/96/15/21/632961521.db2.gz CFIJWDGWPCHNNF-SNVBAGLBSA-N 1 0 236.315 1.206 20 10 BDCDRO Cc1cccc(C[NH2+]CC(C)(C)CO)c1O ZINC000162872626 633041427 /nfs/dbraw/zinc/04/14/27/633041427.db2.gz QMOKUHCCPLZJGC-UHFFFAOYSA-N 1 0 223.316 1.809 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000167192883 633125986 /nfs/dbraw/zinc/12/59/86/633125986.db2.gz UKOBEGBESHJVHO-SECBINFHSA-N 1 0 222.288 1.006 20 10 BDCDRO [NH3+]C[C@H]1CCCN1Cc1cc(Cl)ccc1O ZINC000168816372 633149550 /nfs/dbraw/zinc/14/95/50/633149550.db2.gz RZAGRWQDBQHXKU-LLVKDONJSA-N 1 0 240.734 1.969 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@@H]2COCO2)c1O ZINC000894885746 635997471 /nfs/dbraw/zinc/99/74/71/635997471.db2.gz SFOHASRTSAQEOO-GFCCVEGCSA-N 1 0 237.299 1.417 20 10 BDCDRO c1cc2c(cc1C[NH2+]C[C@H]1COCO1)CCCO2 ZINC000894891078 636000497 /nfs/dbraw/zinc/00/04/97/636000497.db2.gz YCCBMQSCCSYGJR-ZDUSSCGKSA-N 1 0 249.310 1.474 20 10 BDCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(N)=O ZINC000310005231 634066869 /nfs/dbraw/zinc/06/68/69/634066869.db2.gz GIZSQSNYJJPFJH-WPRPVWTQSA-N 1 0 222.288 1.307 20 10 BDCDRO COCC[C@@H](COC)[NH2+]Cc1ccccc1O ZINC000310590942 634166676 /nfs/dbraw/zinc/16/66/76/634166676.db2.gz ZEOLLIZVFSGPBM-LBPRGKRZSA-N 1 0 239.315 1.533 20 10 BDCDRO Cc1cccc(C[NH2+][C@@]2(C)CCOC2)c1O ZINC000162715078 634304267 /nfs/dbraw/zinc/30/42/67/634304267.db2.gz SLBMBEVPMVSCRU-ZDUSSCGKSA-N 1 0 221.300 1.969 20 10 BDCDRO [NH3+][C@@H]1CCCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000258842657 635211226 /nfs/dbraw/zinc/21/12/26/635211226.db2.gz DTEXPLLBZSBCKE-ZIAGYGMSSA-N 1 0 246.354 1.981 20 10 BDCDRO COc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1C ZINC000258898104 635223034 /nfs/dbraw/zinc/22/30/34/635223034.db2.gz LZGSRLKYKVWCOC-ZDUSSCGKSA-N 1 0 234.343 1.845 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000322758378 636880212 /nfs/dbraw/zinc/88/02/12/636880212.db2.gz FTQANWNWKHFYRF-VHSXEESVSA-N 1 0 236.315 1.567 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841064775 636974695 /nfs/dbraw/zinc/97/46/95/636974695.db2.gz JLAWDFRSBBKWGC-BXUZGUMPSA-N 1 0 246.354 1.852 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000841087849 639127360 /nfs/dbraw/zinc/12/73/60/639127360.db2.gz XCBIIQKPFLNTMH-CQSZACIVSA-N 1 0 247.386 1.983 20 10 BDCDRO Oc1ccccc1CN[C@H]1CCCC[NH2+]C1 ZINC000841090999 639237324 /nfs/dbraw/zinc/23/73/24/639237324.db2.gz RWOFHGRZOGMHLO-LBPRGKRZSA-N 1 0 220.316 1.624 20 10 BDCDRO CC(C)(C[NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000911661518 639694833 /nfs/dbraw/zinc/69/48/33/639694833.db2.gz WAYFNNKJBIRBII-UHFFFAOYSA-N 1 0 221.304 1.582 20 10 BDCDRO Cc1nnc(CC[NH2+][C@H](C)c2ccccc2O)o1 ZINC000931554578 640272409 /nfs/dbraw/zinc/27/24/09/640272409.db2.gz RBPCNUHVMNMSRV-SECBINFHSA-N 1 0 247.298 1.977 20 10 BDCDRO COC[C@@H](CCO)[NH2+]Cc1cccc(C)c1O ZINC000224843325 640643022 /nfs/dbraw/zinc/64/30/22/640643022.db2.gz JTOVYEGNYYDGCL-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO CN1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226607219 640778162 /nfs/dbraw/zinc/77/81/62/640778162.db2.gz GEGWKMCZIZDXCZ-NSHDSACASA-N 1 0 224.279 1.325 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000226611016 640779287 /nfs/dbraw/zinc/77/92/87/640779287.db2.gz MSFYBZIGSWIZRT-LLVKDONJSA-N 1 0 227.279 1.782 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCOC1)c1ccccc1O ZINC000087783049 641037262 /nfs/dbraw/zinc/03/72/62/641037262.db2.gz SJLIJQFCALURPS-VHSXEESVSA-N 1 0 207.273 1.832 20 10 BDCDRO C[N@@H+]1CCC[C@@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000040671551 641534320 /nfs/dbraw/zinc/53/43/20/641534320.db2.gz DGDKNNRCKAKOPE-CYBMUJFWSA-N 1 0 247.342 1.022 20 10 BDCDRO C[C@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000160058717 641712557 /nfs/dbraw/zinc/71/25/57/641712557.db2.gz HFDRHWIGEKJJRT-ZETCQYMHSA-N 1 0 245.373 1.089 20 10 BDCDRO CC[C@H](N[C@@H](C)c1ccccc1O)C(=O)OC ZINC000305450821 642661875 /nfs/dbraw/zinc/66/18/75/642661875.db2.gz LQAHRUFDDCFUKX-ONGXEEELSA-N 1 0 237.299 1.994 20 10 BDCDRO CC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179557405 642727377 /nfs/dbraw/zinc/72/73/77/642727377.db2.gz RVAUVWSLKYGJNC-ZDUSSCGKSA-N 1 0 248.326 1.493 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1 ZINC000070075570 642961696 /nfs/dbraw/zinc/96/16/96/642961696.db2.gz CUGTXCUNGVNVJU-RYUDHWBXSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000082538507 643340150 /nfs/dbraw/zinc/34/01/50/643340150.db2.gz LUXUAIQORNEFKE-SNVBAGLBSA-N 1 0 221.300 1.482 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000083345888 643435002 /nfs/dbraw/zinc/43/50/02/643435002.db2.gz VNDMMXWEMUJRFW-LLVKDONJSA-N 1 0 209.289 1.561 20 10 BDCDRO COc1cccc(C[NH2+]C2CCOCC2)c1O ZINC000036319448 643462424 /nfs/dbraw/zinc/46/24/24/643462424.db2.gz XXZSMYYJXJGDAP-UHFFFAOYSA-N 1 0 237.299 1.669 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2CCN2C)cc1C ZINC000922575137 644029230 /nfs/dbraw/zinc/02/92/30/644029230.db2.gz CUBLETYWERQVHB-CYBMUJFWSA-N 1 0 234.343 1.803 20 10 BDCDRO COc1ccc(C[NH2+]CC2(CO)CC2)cc1C ZINC000080246580 644240772 /nfs/dbraw/zinc/24/07/72/644240772.db2.gz PXGDZLHIERMDFB-UHFFFAOYSA-N 1 0 235.327 1.866 20 10 BDCDRO CCOc1cccc(C[NH2+]Cc2ncc[nH]2)c1O ZINC000080583564 644277719 /nfs/dbraw/zinc/27/77/19/644277719.db2.gz YUHQPWUXRZEOFU-UHFFFAOYSA-N 1 0 247.298 1.804 20 10 BDCDRO Cc1cc(CN2CC[NH2+]C[C@@H]2C)ccc1N(C)C ZINC000923279441 644312838 /nfs/dbraw/zinc/31/28/38/644312838.db2.gz AUKPFWPAIUFECE-ZDUSSCGKSA-N 1 0 247.386 1.855 20 10 BDCDRO C[C@H]1CN(Cc2ccccc2O)[C@@H](C)C[NH2+]1 ZINC000083117998 644400523 /nfs/dbraw/zinc/40/05/23/644400523.db2.gz QNEFQDUMHVTGAF-QWRGUYRKSA-N 1 0 220.316 1.574 20 10 BDCDRO C[C@@H]1CN(Cc2ccccc2O)[C@H](C)C[NH2+]1 ZINC000083117995 644400804 /nfs/dbraw/zinc/40/08/04/644400804.db2.gz QNEFQDUMHVTGAF-GHMZBOCLSA-N 1 0 220.316 1.574 20 10 BDCDRO Cc1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)ccc1N(C)C ZINC000923410999 644410475 /nfs/dbraw/zinc/41/04/75/644410475.db2.gz LQHKUAMLBKMVLP-KBPBESRZSA-N 1 0 245.370 1.607 20 10 BDCDRO c1cc2c(cc1CN[C@H]1CCC[NH2+]C1)CCCO2 ZINC000084565848 644429096 /nfs/dbraw/zinc/42/90/96/644429096.db2.gz PNUUPBHXFKBHRI-AWEZNQCLSA-N 1 0 246.354 1.853 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000086466779 644466225 /nfs/dbraw/zinc/46/62/25/644466225.db2.gz WHXKGXMNJSTLIV-OLZOCXBDSA-N 1 0 247.386 1.935 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1 ZINC000251169881 644795762 /nfs/dbraw/zinc/79/57/62/644795762.db2.gz PRPHOYXHQQRYFY-VXGBXAGGSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1CNCCO1)c1ccccc1O ZINC000817984033 644995238 /nfs/dbraw/zinc/99/52/38/644995238.db2.gz VCIKIOFLHGPVRD-MNOVXSKESA-N 1 0 236.315 1.031 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000827826689 645086503 /nfs/dbraw/zinc/08/65/03/645086503.db2.gz KHOOVWSYPQGHCL-MGCOHNPYSA-N 1 0 223.272 1.014 20 10 BDCDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(F)ccc1O ZINC000220322890 645890499 /nfs/dbraw/zinc/89/04/99/645890499.db2.gz MUEBSCHYTIBLAF-LBPRGKRZSA-N 1 0 238.306 1.715 20 10 BDCDRO Cc1ccc(O)c([C@H](C)N[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925781528 646476973 /nfs/dbraw/zinc/47/69/73/646476973.db2.gz AINDAAYADYCAMF-NTZNESFSSA-N 1 0 234.343 1.959 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1cc(F)ccc1O ZINC000380114033 712687388 /nfs/dbraw/zinc/68/73/88/712687388.db2.gz SRBCADYTAUYQGC-QMMMGPOBSA-N 1 0 212.268 1.310 20 10 BDCDRO C[C@H]([NH2+]CCN1CCC1)c1ccccc1O ZINC000381483373 710645355 /nfs/dbraw/zinc/64/53/55/710645355.db2.gz UGKVAOJCNBJPQP-NSHDSACASA-N 1 0 220.316 1.749 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N(C)C)cc1 ZINC000393804189 710756101 /nfs/dbraw/zinc/75/61/01/710756101.db2.gz VFYXZCDJSKRHJN-NSHDSACASA-N 1 0 221.348 1.532 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000382046961 710768642 /nfs/dbraw/zinc/76/86/42/710768642.db2.gz ZTFHVJJXPDVIAJ-ZYHUDNBSSA-N 1 0 207.273 1.314 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000380671496 712902217 /nfs/dbraw/zinc/90/22/17/712902217.db2.gz BKHCCEXHBXNQMM-QWRGUYRKSA-N 1 0 221.348 1.578 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000385403087 711013133 /nfs/dbraw/zinc/01/31/33/711013133.db2.gz WROKRENBXTUVCE-HIFRSBDPSA-N 1 0 245.370 1.546 20 10 BDCDRO COc1ccc(O)c(CN(C)C[C@@H](C)[NH3+])c1 ZINC000380690619 712902452 /nfs/dbraw/zinc/90/24/52/712902452.db2.gz IPDXWRWKPHKHHS-SECBINFHSA-N 1 0 224.304 1.180 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](C)O ZINC000386815631 711037151 /nfs/dbraw/zinc/03/71/51/711037151.db2.gz FHTDDPKYKSSJSH-JOYOIKCWSA-N 1 0 239.315 1.650 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](C)O ZINC000386857610 711037990 /nfs/dbraw/zinc/03/79/90/711037990.db2.gz JBHXACFPALARIC-ZWNOBZJWSA-N 1 0 235.327 1.871 20 10 BDCDRO C[C@@H]([NH2+]Cc1ncnn1C)c1ccccc1O ZINC000389336752 711077541 /nfs/dbraw/zinc/07/75/41/711077541.db2.gz XQQBYVBHFHGSFV-SECBINFHSA-N 1 0 232.287 1.372 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]CCF)c1 ZINC000389933901 711098408 /nfs/dbraw/zinc/09/84/08/711098408.db2.gz MDUNMFKBFMRDJF-UHFFFAOYSA-N 1 0 213.252 1.850 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2ccccc2O)C[NH2+]1 ZINC000398953721 711417871 /nfs/dbraw/zinc/41/78/71/711417871.db2.gz GAIJVANITSRWKI-ZYHUDNBSSA-N 1 0 220.316 1.622 20 10 BDCDRO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000386486401 711030710 /nfs/dbraw/zinc/03/07/10/711030710.db2.gz WVZRIKMEJRXMKM-AWEZNQCLSA-N 1 0 246.354 1.805 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCNC(=O)CC1)c1ccccc1O ZINC000396670722 711364934 /nfs/dbraw/zinc/36/49/34/711364934.db2.gz YNNYPGLOUXRISB-MNOVXSKESA-N 1 0 248.326 1.712 20 10 BDCDRO CN(C)C1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000397910574 711396906 /nfs/dbraw/zinc/39/69/06/711396906.db2.gz ZUBFWMVTWCVKTM-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO C[N@H+](CC[S@](C)=O)Cc1ccccc1O ZINC000399973703 711438118 /nfs/dbraw/zinc/43/81/18/711438118.db2.gz SGLPSOHTBPDXKU-HNNXBMFYSA-N 1 0 227.329 1.203 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](C)O ZINC000386728552 711649939 /nfs/dbraw/zinc/64/99/39/711649939.db2.gz ARUAUBDJMVGVLL-LDYMZIIASA-N 1 0 227.279 1.780 20 10 BDCDRO OCC1(CC[NH2+]Cc2ccccc2O)CC1 ZINC000395787899 711697269 /nfs/dbraw/zinc/69/72/69/711697269.db2.gz CEBOLZNKDNRHNO-UHFFFAOYSA-N 1 0 221.300 1.644 20 10 BDCDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000722280521 711732080 /nfs/dbraw/zinc/73/20/80/711732080.db2.gz YESPKGIDYSXZQW-WFASDCNBSA-N 1 0 247.386 1.792 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1(CO)CC1 ZINC000840935824 711738670 /nfs/dbraw/zinc/73/86/70/711738670.db2.gz ZXHQQOZUDVLEGV-UHFFFAOYSA-N 1 0 248.370 1.923 20 10 BDCDRO COC[C@@H](C[NH2+]Cc1ccccc1O)OC ZINC000227706654 711832644 /nfs/dbraw/zinc/83/26/44/711832644.db2.gz OXOIFNUHIRDKTR-LLVKDONJSA-N 1 0 225.288 1.143 20 10 BDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000707595775 712175563 /nfs/dbraw/zinc/17/55/63/712175563.db2.gz QGHMBCUTNLUQPE-DTORHVGOSA-N 1 0 241.718 1.906 20 10 BDCDRO CN1CC[C@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000712581805 712433653 /nfs/dbraw/zinc/43/36/53/712433653.db2.gz PSYZIFWNDNLLNS-NWDGAFQWSA-N 1 0 232.327 1.673 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000720947194 712881555 /nfs/dbraw/zinc/88/15/55/712881555.db2.gz KWTYWTUJEDYGGG-HOMQSWHASA-N 1 0 237.299 1.261 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C2(CO)CC2)c1 ZINC000696064924 965233239 /nfs/dbraw/zinc/23/32/39/965233239.db2.gz XSVHOHWKKJXLQT-NSHDSACASA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cc(C)c(C[NH2+]C[C@H](C)O)c(O)c1 ZINC001251973757 968413422 /nfs/dbraw/zinc/41/34/22/968413422.db2.gz KUCSPIVZDDXOBV-JTQLQIEISA-N 1 0 209.289 1.479 20 10 BDCDRO CC(C)(O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001252366180 968646633 /nfs/dbraw/zinc/64/66/33/968646633.db2.gz YUYBTMVMJPFPPI-UHFFFAOYSA-N 1 0 225.288 1.001 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H]3C[C@]3([NH3+])C2)c1 ZINC001236025214 979319704 /nfs/dbraw/zinc/31/97/04/979319704.db2.gz KTPOLUUOAMEZSI-AAEUAGOBSA-N 1 0 218.300 1.234 20 10 BDCDRO Cc1ccc(C)c(CN(C)C[C@H](C)[NH3+])c1O ZINC001236895635 979787264 /nfs/dbraw/zinc/78/72/64/979787264.db2.gz UKTVEBBOGGJOKR-NSHDSACASA-N 1 0 222.332 1.788 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC2(COC2)C1 ZINC001237483591 979909566 /nfs/dbraw/zinc/90/95/66/979909566.db2.gz PYEVPTBPRQGDIT-UHFFFAOYSA-N 1 0 219.284 1.533 20 10 BDCDRO CCC[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144499147 972846763 /nfs/dbraw/zinc/84/67/63/972846763.db2.gz BZWNCXWCKXRUAP-UHFFFAOYSA-N 1 0 211.261 1.645 20 10 BDCDRO C[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CO1 ZINC000402183636 970766395 /nfs/dbraw/zinc/76/63/95/970766395.db2.gz BQCFVGZFAGROPQ-KWQFWETISA-N 1 0 225.263 1.798 20 10 BDCDRO C[C@H]([NH2+]CCN1CCCC1=O)c1ccccc1O ZINC000405402194 971248361 /nfs/dbraw/zinc/24/83/61/971248361.db2.gz NNKRCBUEXIEPRO-NSHDSACASA-N 1 0 248.326 1.665 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@](C)([NH3+])C2)cc1 ZINC000405820379 971310840 /nfs/dbraw/zinc/31/08/40/971310840.db2.gz JZJGAMDOWMPIEF-AWEZNQCLSA-N 1 0 233.359 1.676 20 10 BDCDRO Nc1ccc(CO[C@@H]2C[NH2+]CCC23CC3)cc1 ZINC001217913299 971512761 /nfs/dbraw/zinc/51/27/61/971512761.db2.gz LLVYXVFYEXULJZ-CYBMUJFWSA-N 1 0 232.327 1.928 20 10 BDCDRO CN(Cc1cc(F)ccc1O)[C@H]1CC[N@H+](C)C1 ZINC000310532612 971976004 /nfs/dbraw/zinc/97/60/04/971976004.db2.gz QGGHHNSKOWPFIW-LBPRGKRZSA-N 1 0 238.306 1.667 20 10 BDCDRO C[NH+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000070758205 957186297 /nfs/dbraw/zinc/18/62/97/957186297.db2.gz XPJMSPHTQPMROE-UHFFFAOYSA-N 1 0 220.316 1.585 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)C1CCC1 ZINC000315809646 972248596 /nfs/dbraw/zinc/24/85/96/972248596.db2.gz XKCWAUGVBWXAIB-ZDUSSCGKSA-N 1 0 239.290 1.782 20 10 BDCDRO C[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(N)cc2)O1 ZINC000398106445 958072577 /nfs/dbraw/zinc/07/25/77/958072577.db2.gz KNRPMKOZYSJMND-MFKMUULPSA-N 1 0 220.316 1.926 20 10 BDCDRO C[C@@H]1CC[C@H](C[NH2+]Cc2ccc(N)cc2)O1 ZINC000398106446 958073672 /nfs/dbraw/zinc/07/36/72/958073672.db2.gz KNRPMKOZYSJMND-ZWNOBZJWSA-N 1 0 220.316 1.926 20 10 BDCDRO Nc1ccc(CN2CCC[C@]3(CCC[NH2+]3)C2)cc1 ZINC001222353750 972442874 /nfs/dbraw/zinc/44/28/74/972442874.db2.gz GOVZEIXTDBWHTH-OAHLLOKOSA-N 1 0 245.370 1.987 20 10 BDCDRO Oc1ccc(O)c(C[N@H+]2CCCC[C@H](O)C2)c1 ZINC001141155962 960407531 /nfs/dbraw/zinc/40/75/31/960407531.db2.gz CANAZBGYSFEUAQ-LBPRGKRZSA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCCC23COC3)c1 ZINC001141159836 960412778 /nfs/dbraw/zinc/41/27/78/960412778.db2.gz MGCLAXIMDNREFH-UHFFFAOYSA-N 1 0 235.283 1.463 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c1 ZINC001140617077 960459501 /nfs/dbraw/zinc/45/95/01/960459501.db2.gz CFNYHZSMXMUHDC-AAEUAGOBSA-N 1 0 235.327 1.903 20 10 BDCDRO CO[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1F ZINC001140617053 960462858 /nfs/dbraw/zinc/46/28/58/960462858.db2.gz BAQUVRDCYLKWDR-WCQYABFASA-N 1 0 239.290 1.869 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCN3CC[C@@H]3C2)c1 ZINC001140624088 960465190 /nfs/dbraw/zinc/46/51/90/960465190.db2.gz FSSDNVCQQVXOAO-CYBMUJFWSA-N 1 0 232.327 1.591 20 10 BDCDRO Cc1c(O)ccc(CN2CC([NH+](C)C)C2)c1O ZINC001140742180 960544285 /nfs/dbraw/zinc/54/42/85/960544285.db2.gz JMZLIMOIFYGZHU-UHFFFAOYSA-N 1 0 236.315 1.152 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC001140745224 960551924 /nfs/dbraw/zinc/55/19/24/960551924.db2.gz AOSMXBWKJMEICP-SNVBAGLBSA-N 1 0 237.299 1.220 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c(O)c1 ZINC001140948203 960745774 /nfs/dbraw/zinc/74/57/74/960745774.db2.gz YANIUUQRYWXAEB-RISCZKNCSA-N 1 0 235.327 1.903 20 10 BDCDRO CN1CCOc2cc(C[NH+]3CCC3)ccc21 ZINC001141139554 960886079 /nfs/dbraw/zinc/88/60/79/960886079.db2.gz WZIIRFWNBXCSKU-UHFFFAOYSA-N 1 0 218.300 1.721 20 10 BDCDRO CN(CCC[NH+](C)C)Cc1cc(O)ccc1O ZINC001141155737 960889964 /nfs/dbraw/zinc/88/99/64/960889964.db2.gz IBRALKPGMBLXCV-UHFFFAOYSA-N 1 0 238.331 1.481 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCCC3(COC3)C2)c1 ZINC001141156236 960891085 /nfs/dbraw/zinc/89/10/85/960891085.db2.gz ICUMLAYUKGOMEL-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO OC[C@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156347 960892390 /nfs/dbraw/zinc/89/23/90/960892390.db2.gz VCPUHNYENALSTO-LLVKDONJSA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCCOCC2)c1 ZINC001141156098 960892497 /nfs/dbraw/zinc/89/24/97/960892497.db2.gz QHLMLCGBKFYODC-UHFFFAOYSA-N 1 0 223.272 1.320 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c1 ZINC001141159133 960895064 /nfs/dbraw/zinc/89/50/64/960895064.db2.gz ACDDVJLDBJPINB-JQWIXIFHSA-N 1 0 249.310 1.566 20 10 BDCDRO CO[C@H](C)C1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141161279 960896929 /nfs/dbraw/zinc/89/69/29/960896929.db2.gz BYTZVRIGYFYXRS-SECBINFHSA-N 1 0 237.299 1.565 20 10 BDCDRO CN1CC2(C1)CC[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141162626 960905849 /nfs/dbraw/zinc/90/58/49/960905849.db2.gz XXKMSFAXUQBODR-UHFFFAOYSA-N 1 0 248.326 1.235 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCOC[C@@H]2C2CC2)c1 ZINC001141162150 960906213 /nfs/dbraw/zinc/90/62/13/960906213.db2.gz LVCABUGFFQXFLC-CYBMUJFWSA-N 1 0 249.310 1.709 20 10 BDCDRO CC1([NH3+])CN(Cc2cc(F)ccc2O)C1 ZINC001204979452 963294010 /nfs/dbraw/zinc/29/40/10/963294010.db2.gz ABYOGDACDXARTO-UHFFFAOYSA-N 1 0 210.252 1.064 20 10 BDCDRO Cc1cc(F)cc(CN2CC[C@@](C)([NH3+])C2)c1O ZINC001204801832 963686301 /nfs/dbraw/zinc/68/63/01/963686301.db2.gz VJTPZKZANDOJNW-CYBMUJFWSA-N 1 0 238.306 1.763 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@@H](F)[C@@H]([NH3+])C1 ZINC001204843584 963941284 /nfs/dbraw/zinc/94/12/84/963941284.db2.gz QJYBVKCERQHSMZ-MNOVXSKESA-N 1 0 224.279 1.182 20 10 BDCDRO C[NH2+]C1CN(Cc2cc(Cl)c(C)cc2O)C1 ZINC001204705567 964119619 /nfs/dbraw/zinc/11/96/19/964119619.db2.gz DETUPDWSYTWHGT-UHFFFAOYSA-N 1 0 240.734 1.758 20 10 BDCDRO C[NH+](C)CCC[N@H+](C)Cc1cccc(F)c1[O-] ZINC000160240407 964800837 /nfs/dbraw/zinc/80/08/37/964800837.db2.gz JDOLEMXDRLVCHU-UHFFFAOYSA-N 1 0 240.322 1.915 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC1CSC1 ZINC000698000103 964860648 /nfs/dbraw/zinc/86/06/48/964860648.db2.gz YIFJILKXAJMKNF-UHFFFAOYSA-N 1 0 227.304 1.984 20 10 BDCDRO [NH3+][C@@H]1CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001205093969 965722930 /nfs/dbraw/zinc/72/29/30/965722930.db2.gz IGBSKUNMRCBPKV-LLVKDONJSA-N 1 0 236.315 1.411 20 10 BDCDRO COc1ccc(N2CC[C@@H]([NH3+])C2)c(C)c1OC ZINC001164282039 965826182 /nfs/dbraw/zinc/82/61/82/965826182.db2.gz SGIYXVFFGAHTJW-SNVBAGLBSA-N 1 0 236.315 1.550 20 10 BDCDRO [NH3+][C@@H]1CCN(c2ccc3c(c2)NCCO3)C1 ZINC001164281340 965826200 /nfs/dbraw/zinc/82/62/00/965826200.db2.gz ZPSLNJGXFHXJEQ-SECBINFHSA-N 1 0 219.288 1.028 20 10 BDCDRO [NH3+][C@@H]1CCN(c2ccc3c(c2)[C@H](O)CCO3)C1 ZINC001164281810 965826860 /nfs/dbraw/zinc/82/68/60/965826860.db2.gz NRPMREMDDFIJCW-BXKDBHETSA-N 1 0 234.299 1.040 20 10 BDCDRO COc1ccc(N2CC[C@H]([NH3+])C2)c(C)c1OC ZINC001164282038 965827031 /nfs/dbraw/zinc/82/70/31/965827031.db2.gz SGIYXVFFGAHTJW-JTQLQIEISA-N 1 0 236.315 1.550 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000699482843 965913070 /nfs/dbraw/zinc/91/30/70/965913070.db2.gz ZXPHGQAODWQMES-ZYHUDNBSSA-N 1 0 221.300 1.825 20 10 BDCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000699745848 966061132 /nfs/dbraw/zinc/06/11/32/966061132.db2.gz UQIKLMXBKNDMST-KWQFWETISA-N 1 0 225.263 1.656 20 10 BDCDRO COc1ccc(C[NH2+]Cc2cncn2C)c(O)c1 ZINC000388358382 966121313 /nfs/dbraw/zinc/12/13/13/966121313.db2.gz KWSZTOOPXBEWEM-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236286302 966337319 /nfs/dbraw/zinc/33/73/19/966337319.db2.gz CLWAMQRUIJRSGK-PWSUYJOCSA-N 1 0 218.300 1.104 20 10 BDCDRO CCc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236286756 966340754 /nfs/dbraw/zinc/34/07/54/966340754.db2.gz COZUAASMQMWWGJ-OLZOCXBDSA-N 1 0 232.327 1.358 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@]1(C)O ZINC001203549926 966676627 /nfs/dbraw/zinc/67/66/27/966676627.db2.gz DASBWCQDWBAZNA-FZMZJTMJSA-N 1 0 235.327 1.985 20 10 BDCDRO CO[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1F ZINC001203550366 966683861 /nfs/dbraw/zinc/68/38/61/966683861.db2.gz TXTSEDIPGPWDRO-CMPLNLGQSA-N 1 0 225.263 1.561 20 10 BDCDRO Oc1ccccc1C[NH+]1CC2(CSC2)C1 ZINC001203561732 966686940 /nfs/dbraw/zinc/68/69/40/966686940.db2.gz YMRQPRBRHBEKDK-UHFFFAOYSA-N 1 0 221.325 1.941 20 10 BDCDRO Oc1ccccc1C[N@@H+]1C[C@H]2CC[C@@H]1CO2 ZINC001203562300 966691656 /nfs/dbraw/zinc/69/16/56/966691656.db2.gz HNGDZHKIYLSSCE-VXGBXAGGSA-N 1 0 219.284 1.755 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c(O)c1 ZINC001203634462 966715830 /nfs/dbraw/zinc/71/58/30/966715830.db2.gz HHNBIKZYJHGKSL-LLVKDONJSA-N 1 0 249.310 1.812 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)cc1O ZINC001203880509 966807787 /nfs/dbraw/zinc/80/77/87/966807787.db2.gz UPRIILHHUHYPQE-RTCCRHLQSA-N 1 0 237.274 1.745 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cc1 ZINC001203936243 966823608 /nfs/dbraw/zinc/82/36/08/966823608.db2.gz BLPCGYWNSYAGMY-DZGCQCFKSA-N 1 0 246.354 1.973 20 10 BDCDRO C[C@H]1COCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204273130 966953593 /nfs/dbraw/zinc/95/35/93/966953593.db2.gz ZDBOUDGFPROVKI-SNVBAGLBSA-N 1 0 237.299 1.566 20 10 BDCDRO Cc1cc(CN2CC[C@@H]([NH3+])[C@H]2C)ccc1N(C)C ZINC001205182677 967416576 /nfs/dbraw/zinc/41/65/76/967416576.db2.gz HUSOWLPRKJJIMR-TZMCWYRMSA-N 1 0 247.386 1.983 20 10 BDCDRO Cc1cc(F)cc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205202329 967425695 /nfs/dbraw/zinc/42/56/95/967425695.db2.gz QIDVRCANQNLOAW-BXKDBHETSA-N 1 0 238.306 1.761 20 10 BDCDRO [O-]c1cccc(F)c1C[N@H+]1CCCC[C@H]1CO ZINC001137831737 967823062 /nfs/dbraw/zinc/82/30/62/967823062.db2.gz LQFFJLJTDGYKCY-JTQLQIEISA-N 1 0 239.290 1.878 20 10 BDCDRO C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(N)cc2)C1 ZINC001205840970 967849218 /nfs/dbraw/zinc/84/92/18/967849218.db2.gz JDYQNCPXRUVPNP-RISCZKNCSA-N 1 0 233.359 1.828 20 10 BDCDRO Cc1ccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c(O)c1 ZINC001206425007 968298160 /nfs/dbraw/zinc/29/81/60/968298160.db2.gz SXUXEVKKCFWXER-VXGBXAGGSA-N 1 0 238.306 1.572 20 10 BDCDRO CN(C)c1ccc(CN2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206730373 968445099 /nfs/dbraw/zinc/44/50/99/968445099.db2.gz UWQQPASNMDWKRI-UHFFFAOYSA-N 1 0 249.358 1.239 20 10 BDCDRO Cc1cc(F)cc(CN2CC(C)(C[NH3+])C2)c1O ZINC001206737871 968451205 /nfs/dbraw/zinc/45/12/05/968451205.db2.gz UEVJKCWOTISQBG-UHFFFAOYSA-N 1 0 238.306 1.620 20 10 BDCDRO Cc1cc(C)c(C[NH2+]CC(C)(C)O)c(O)c1 ZINC001252368251 968649657 /nfs/dbraw/zinc/64/96/57/968649657.db2.gz GHEAVJRMLDKJAZ-UHFFFAOYSA-N 1 0 223.316 1.870 20 10 BDCDRO CC(C)[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253780968 969401777 /nfs/dbraw/zinc/40/17/77/969401777.db2.gz YSXFGPFYAMKJQS-ZDUSSCGKSA-N 1 0 239.315 1.247 20 10 BDCDRO [NH3+]Cc1cccc(NCc2ccc(O)c(O)c2)n1 ZINC001169996666 969977572 /nfs/dbraw/zinc/97/75/72/969977572.db2.gz GAOJNGDFPOZAND-UHFFFAOYSA-N 1 0 245.282 1.564 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2CCOC2)c1O ZINC000691467824 969993306 /nfs/dbraw/zinc/99/33/06/969993306.db2.gz RPONXRZMCMNORY-LBPRGKRZSA-N 1 0 221.300 1.833 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H](CC)CO)c1O ZINC000691466265 969993773 /nfs/dbraw/zinc/99/37/73/969993773.db2.gz MRKVUKCGOSLPHG-LBPRGKRZSA-N 1 0 223.316 1.815 20 10 BDCDRO COc1c[nH+]ccc1Nc1c(O)cccc1OC ZINC001211263860 970212031 /nfs/dbraw/zinc/21/20/31/970212031.db2.gz KWVGUBGDECOGIC-UHFFFAOYSA-N 1 0 246.266 1.970 20 10 BDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000402024788 970759013 /nfs/dbraw/zinc/75/90/13/970759013.db2.gz GLZAACGWZVRGPM-GXFFZTMASA-N 1 0 233.311 1.889 20 10 BDCDRO COC1(C)C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500587 972848175 /nfs/dbraw/zinc/84/81/75/972848175.db2.gz VVSIJYGUADHLRM-UHFFFAOYSA-N 1 0 239.271 1.024 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001144504573 972850296 /nfs/dbraw/zinc/85/02/96/972850296.db2.gz VWCIPJTUCYDNMU-OCAPTIKFSA-N 1 0 221.256 1.255 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144504558 972850438 /nfs/dbraw/zinc/85/04/38/972850438.db2.gz VBLKVUJBGMNLHG-MRVPVSSYSA-N 1 0 239.271 1.024 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001328508083 973116388 /nfs/dbraw/zinc/11/63/88/973116388.db2.gz VNHGWXULYLLCMK-ZDUSSCGKSA-N 1 0 247.386 1.984 20 10 BDCDRO COc1ccc(N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC001276925083 973304374 /nfs/dbraw/zinc/30/43/74/973304374.db2.gz UZPPQNNTXKKNRJ-SMDDNHRTSA-N 1 0 232.327 1.836 20 10 BDCDRO COc1ccc(N2CC3(C2)CC[N@H+](C)C3)cc1 ZINC001276925094 973306131 /nfs/dbraw/zinc/30/61/31/973306131.db2.gz VJBPZIRQRQVMHB-UHFFFAOYSA-N 1 0 232.327 1.837 20 10 BDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(N)cc1 ZINC000044412653 973751837 /nfs/dbraw/zinc/75/18/37/973751837.db2.gz HNLIEAHBPDJHED-ZDUSSCGKSA-N 1 0 247.342 1.369 20 10 BDCDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001335286355 976923933 /nfs/dbraw/zinc/92/39/33/976923933.db2.gz XTXYOBMUCFHGPI-VIFPVBQESA-N 1 0 208.305 1.518 20 10 BDCDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001335286354 976925621 /nfs/dbraw/zinc/92/56/21/976925621.db2.gz XTXYOBMUCFHGPI-SECBINFHSA-N 1 0 208.305 1.518 20 10 BDCDRO OCC1C[NH+](Cc2c(O)ccc3ccccc32)C1 ZINC001231590270 977642808 /nfs/dbraw/zinc/64/28/08/977642808.db2.gz PJFOPZXPKNHDAF-UHFFFAOYSA-N 1 0 243.306 1.970 20 10 BDCDRO COc1cc(C[NH+]2CC=CC2)c(O)cc1O ZINC001231633866 977651655 /nfs/dbraw/zinc/65/16/55/977651655.db2.gz BCRUYNWGKFZCRA-UHFFFAOYSA-N 1 0 221.256 1.478 20 10 BDCDRO COc1cc(C[N@H+](C)C2CC2)c(O)cc1O ZINC001231635400 977652160 /nfs/dbraw/zinc/65/21/60/977652160.db2.gz XZDOUBMJWOGYJD-UHFFFAOYSA-N 1 0 223.272 1.701 20 10 BDCDRO COc1cc(C[NH+]2CCC2)c(O)cc1O ZINC001231632674 977652796 /nfs/dbraw/zinc/65/27/96/977652796.db2.gz CVYXASJDGKWTRL-UHFFFAOYSA-N 1 0 209.245 1.312 20 10 BDCDRO Cc1ccc(C[NH+]2CC3(C[C@@H]3C(N)=O)C2)c(O)c1 ZINC001277569501 977753917 /nfs/dbraw/zinc/75/39/17/977753917.db2.gz ZRUWECKPEOXOIC-LLVKDONJSA-N 1 0 246.310 1.008 20 10 BDCDRO Cc1cc(C)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c(O)c1 ZINC001231847080 977763302 /nfs/dbraw/zinc/76/33/02/977763302.db2.gz VKQQLYNOETWMCF-TXEJJXNPSA-N 1 0 233.311 1.982 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N)cc1 ZINC001337838334 978519470 /nfs/dbraw/zinc/51/94/70/978519470.db2.gz NVHPDXNXZQDSPB-QWHCGFSZSA-N 1 0 219.332 1.499 20 10 BDCDRO C[N@H+](Cc1cc(O)c(O)cc1O)[C@@H]1CCOC1 ZINC001233485743 978612158 /nfs/dbraw/zinc/61/21/58/978612158.db2.gz JIHLTIBVVPMJDT-SECBINFHSA-N 1 0 239.271 1.024 20 10 BDCDRO CC(C)[C@@H]1C[NH2+]CCN1Cc1ccc(N)cc1 ZINC001235458508 979047596 /nfs/dbraw/zinc/04/75/96/979047596.db2.gz RHNLFRDCGJCGRB-AWEZNQCLSA-N 1 0 233.359 1.699 20 10 BDCDRO CC[C@H]1CN(Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC001235723900 979137063 /nfs/dbraw/zinc/13/70/63/979137063.db2.gz KKUPMSKDSMWLKY-AWEZNQCLSA-N 1 0 247.386 1.936 20 10 BDCDRO CCN(Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001235971414 979235601 /nfs/dbraw/zinc/23/56/01/979235601.db2.gz WAEKRQQWRDPSRE-ZDUSSCGKSA-N 1 0 219.332 1.453 20 10 BDCDRO Cc1c(O)ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990557 979273304 /nfs/dbraw/zinc/27/33/04/979273304.db2.gz KLILDQKWWJCPJT-BXUZGUMPSA-N 1 0 248.326 1.329 20 10 BDCDRO CCc1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235991533 979281530 /nfs/dbraw/zinc/28/15/30/979281530.db2.gz OJXFEIJQJBQZDZ-UKRRQHHQSA-N 1 0 246.354 1.878 20 10 BDCDRO CN1CCOc2cc(CN3CC[C@H]([NH3+])C3)ccc21 ZINC001236169756 979427767 /nfs/dbraw/zinc/42/77/67/979427767.db2.gz FUTNNSFGFXLHRZ-LBPRGKRZSA-N 1 0 247.342 1.048 20 10 BDCDRO Cc1ccc(C)c(CN2CC[C@H]([NH3+])C2)c1O ZINC001236172139 979428769 /nfs/dbraw/zinc/42/87/69/979428769.db2.gz WYGOXSYXZSMQJG-NSHDSACASA-N 1 0 220.316 1.542 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@H]1CCCC[C@H]1[NH3+] ZINC001236219836 979455924 /nfs/dbraw/zinc/45/59/24/979455924.db2.gz XQDPQULKPXFGKF-KGLIPLIRSA-N 1 0 233.359 1.971 20 10 BDCDRO Nc1ccc(CN(C2CC2)[C@@H]2CCC[NH2+]C2)cc1 ZINC001236240975 979462410 /nfs/dbraw/zinc/46/24/10/979462410.db2.gz NZXNNJSBBKVVFG-OAHLLOKOSA-N 1 0 245.370 1.985 20 10 BDCDRO CC(C)C[C@@H]([NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001341924584 979596466 /nfs/dbraw/zinc/59/64/66/979596466.db2.gz YHDYQIULJLKEJR-CYBMUJFWSA-N 1 0 249.358 1.649 20 10 BDCDRO C[C@@H]1CN(Cc2cc(O)ccc2O)C[C@@H](C)[NH2+]1 ZINC001236576711 979646391 /nfs/dbraw/zinc/64/63/91/979646391.db2.gz AVONIPORWQOARQ-NXEZZACHSA-N 1 0 236.315 1.280 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C)(CO)C1 ZINC001237486117 979909483 /nfs/dbraw/zinc/90/94/83/979909483.db2.gz VWZLRBIOSPURIO-AWEZNQCLSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCN(C)[C@H](C)C1 ZINC001237488400 979915436 /nfs/dbraw/zinc/91/54/36/979915436.db2.gz WMPCQKDNNAMAEE-GFCCVEGCSA-N 1 0 234.343 1.837 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@@H]1C(N)=O ZINC001237489075 979915680 /nfs/dbraw/zinc/91/56/80/979915680.db2.gz DRAIABVFGIGEGZ-GFCCVEGCSA-N 1 0 248.326 1.540 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C ZINC001237491672 979916161 /nfs/dbraw/zinc/91/61/61/979916161.db2.gz MGSCQIJYZZHMHR-BETUJISGSA-N 1 0 246.354 1.979 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC001238060578 980131846 /nfs/dbraw/zinc/13/18/46/980131846.db2.gz CBGSDFWVTRHHAM-JTQLQIEISA-N 1 0 239.290 1.654 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC001238064139 980135018 /nfs/dbraw/zinc/13/50/18/980135018.db2.gz OPLMNCFPFXMNQL-GFCCVEGCSA-N 1 0 239.290 1.796 20 10 BDCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001203634634 980351841 /nfs/dbraw/zinc/35/18/41/980351841.db2.gz OMOKDXYDXMCYKX-RYUDHWBXSA-N 1 0 248.326 1.289 20 10 BDCDRO Nc1ccc(CNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC001346218413 980788738 /nfs/dbraw/zinc/78/87/38/980788738.db2.gz AWBOYSXYKZTDPT-GFCCVEGCSA-N 1 0 233.315 1.027 20 10 BDCDRO CC(C)(CCO)[NH2+]Cc1ccc(N)cc1 ZINC001352790035 982582423 /nfs/dbraw/zinc/58/24/23/982582423.db2.gz NJTCPZDUSOKTRR-UHFFFAOYSA-N 1 0 208.305 1.519 20 10 BDCDRO Oc1cccc(F)c1CN[C@H]1CCC[NH2+]C1 ZINC001574440556 984113375 /nfs/dbraw/zinc/11/33/75/984113375.db2.gz XDOIBUYKMXSZEP-VIFPVBQESA-N 1 0 224.279 1.373 20 10 BDCDRO COc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC000718144557 984395349 /nfs/dbraw/zinc/39/53/49/984395349.db2.gz FWRPMCQPJGJHPX-TXEJJXNPSA-N 1 0 249.310 1.479 20 10 BDCDRO CN1CCOc2cc(C3=CC[NH2+]C3)ccc21 ZINC001243111744 984575650 /nfs/dbraw/zinc/57/56/50/984575650.db2.gz WZCRPSDRDUXMAG-UHFFFAOYSA-N 1 0 216.284 1.502 20 10 BDCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1O ZINC000688046042 985522138 /nfs/dbraw/zinc/52/21/38/985522138.db2.gz GWKYORWWPOBGNY-ONGXEEELSA-N 1 0 207.273 1.517 20 10 BDCDRO COC[C@@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001255582145 987033921 /nfs/dbraw/zinc/03/39/21/987033921.db2.gz RRAUSYLEJGIUSA-SNVBAGLBSA-N 1 0 221.300 1.785 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000690779174 987281336 /nfs/dbraw/zinc/28/13/36/987281336.db2.gz AEVXFSPOLMLKGW-STQMWFEESA-N 1 0 233.311 1.861 20 10 BDCDRO CC[C@]1(C(=O)NCc2ccc(N)cc2)CCC[NH2+]1 ZINC001515330969 989027176 /nfs/dbraw/zinc/02/71/76/989027176.db2.gz CGYXENWDRGGRGE-CQSZACIVSA-N 1 0 247.342 1.417 20 10 BDCDRO Nc1ccc(C[N@@H+]2CC[C@@H](n3cncn3)C2)cc1 ZINC001120268174 989620868 /nfs/dbraw/zinc/62/08/68/989620868.db2.gz BDDUVSMCFJYLSM-CYBMUJFWSA-N 1 0 243.314 1.307 20 10 BDCDRO O=C(NCc1ccccc1O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000828015573 990816076 /nfs/dbraw/zinc/81/60/76/990816076.db2.gz JCKLQKFNEFOWKB-BXUZGUMPSA-N 1 0 246.310 1.008 20 10 BDCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000828015579 990816129 /nfs/dbraw/zinc/81/61/29/990816129.db2.gz JCKLQKFNEFOWKB-SMDDNHRTSA-N 1 0 246.310 1.008 20 10 BDCDRO C[N@@H+]1CCCN(Cc2c(O)cccc2F)CC1 ZINC001137831478 990853728 /nfs/dbraw/zinc/85/37/28/990853728.db2.gz AYRCXNDOLTYYEY-UHFFFAOYSA-N 1 0 238.306 1.669 20 10 BDCDRO OC1CCN(c2ccc(C[NH+]3CCC3)cc2)CC1 ZINC001140281479 991602448 /nfs/dbraw/zinc/60/24/48/991602448.db2.gz GPIQZWDMCKPZAD-UHFFFAOYSA-N 1 0 246.354 1.853 20 10 BDCDRO C[NH+](C)C1CN(Cc2c(O)cccc2Cl)C1 ZINC001140338143 991611469 /nfs/dbraw/zinc/61/14/69/991611469.db2.gz WSYQLHOJFZKWRQ-UHFFFAOYSA-N 1 0 240.734 1.791 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC001560811245 991611684 /nfs/dbraw/zinc/61/16/84/991611684.db2.gz COQMLGAJUCUYFQ-ZANVPECISA-N 1 0 239.290 1.734 20 10 BDCDRO c1cc2c(cc1CN[C@@H]1[C@H]3C[NH2+]C[C@H]31)CCCO2 ZINC001262488020 992892846 /nfs/dbraw/zinc/89/28/46/992892846.db2.gz NGBROINBFUOEDU-NHAGDIPZSA-N 1 0 244.338 1.319 20 10 BDCDRO CCN1CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000389574793 993755267 /nfs/dbraw/zinc/75/52/67/993755267.db2.gz WYDQJZYSFRWUAV-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1cc(O)c(CN2CCO[C@@H]3C[C@@H]32)cc1C ZINC000368143251 178194770 /nfs/dbraw/zinc/19/47/70/178194770.db2.gz RVGLAHVIOJPGRC-GXTWGEPZSA-N 1 0 233.311 1.982 20 10 BDCDRO CC[C@@H](CO)[N@H+](C)Cc1ccccc1O ZINC000295027393 398264648 /nfs/dbraw/zinc/26/46/48/398264648.db2.gz CVNCIPZGPIYXGH-NSHDSACASA-N 1 0 209.289 1.595 20 10 BDCDRO CC[C@@H](CO)[N@H+](C)Cc1cccc(C)c1O ZINC000295021580 398264551 /nfs/dbraw/zinc/26/45/51/398264551.db2.gz CHKODZXRUSDEQH-LBPRGKRZSA-N 1 0 223.316 1.903 20 10 BDCDRO CC(C)(O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083552536 398284024 /nfs/dbraw/zinc/28/40/24/398284024.db2.gz JAABLPHSLNYGKV-UHFFFAOYSA-N 1 0 229.707 1.906 20 10 BDCDRO CC(C)C(=O)NCC[NH2+]Cc1ccccc1O ZINC000020125193 342970068 /nfs/dbraw/zinc/97/00/68/342970068.db2.gz SCLUBPWNHUSPCO-UHFFFAOYSA-N 1 0 236.315 1.254 20 10 BDCDRO CC(C)[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823737 187261052 /nfs/dbraw/zinc/26/10/52/187261052.db2.gz UFHNDKUQXBQRKJ-LBPRGKRZSA-N 1 0 236.315 1.334 20 10 BDCDRO CC(C)C[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000040773561 343409443 /nfs/dbraw/zinc/40/94/43/343409443.db2.gz UEAXEJFRXDNORT-LBPRGKRZSA-N 1 0 223.316 1.889 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1O ZINC000050394200 343614311 /nfs/dbraw/zinc/61/43/11/343614311.db2.gz QGFJNIYGQRQOOX-NEPJUHHUSA-N 1 0 248.326 1.712 20 10 BDCDRO OCC[NH2+]Cc1c(O)cccc1Cl ZINC000083662417 187285666 /nfs/dbraw/zinc/28/56/66/187285666.db2.gz ZHENAFXVIYBBDH-UHFFFAOYSA-N 1 0 201.653 1.128 20 10 BDCDRO CC(C)(C[NH2+]Cc1ccccc1O)OCCO ZINC000288510816 187362379 /nfs/dbraw/zinc/36/23/79/187362379.db2.gz SYPRPQSQNQMVAV-UHFFFAOYSA-N 1 0 239.315 1.269 20 10 BDCDRO Cc1cccc(C[N@@H+](C)CC[C@H](C)O)c1O ZINC000132508540 179066455 /nfs/dbraw/zinc/06/64/55/179066455.db2.gz ANZBVOHVNQILHB-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1cccc(C[NH+]2CCN(C)CC2)c1O ZINC000162803862 179077954 /nfs/dbraw/zinc/07/79/54/179077954.db2.gz QYXSBJZPLBZRDC-UHFFFAOYSA-N 1 0 220.316 1.448 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000132498533 179081667 /nfs/dbraw/zinc/08/16/67/179081667.db2.gz IHBUAVIEQVTPEP-NSHDSACASA-N 1 0 221.300 1.515 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000376893026 179084672 /nfs/dbraw/zinc/08/46/72/179084672.db2.gz BFSQMIQKRCAKRW-GFCCVEGCSA-N 1 0 233.311 1.657 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H](C)CCO)c1O ZINC000162868285 179092087 /nfs/dbraw/zinc/09/20/87/179092087.db2.gz CWUIJCRDWVLVMG-JTQLQIEISA-N 1 0 223.316 1.809 20 10 BDCDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccccc1O ZINC000163421638 346559979 /nfs/dbraw/zinc/55/99/79/346559979.db2.gz KOGUUWCKIQKSKL-NWDGAFQWSA-N 1 0 221.300 1.641 20 10 BDCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCc3ccc(F)cc32)C1 ZINC000637964089 351836763 /nfs/dbraw/zinc/83/67/63/351836763.db2.gz GPRIGCOWRLOXDP-GFCCVEGCSA-N 1 0 246.285 1.762 20 10 BDCDRO CC[N@H+](Cc1cc(C)ccc1O)[C@H]1CCNC1=O ZINC000281894270 351915100 /nfs/dbraw/zinc/91/51/00/351915100.db2.gz YOBBMOJXIACCRI-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO COc1ccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)cn1 ZINC000638428728 352237335 /nfs/dbraw/zinc/23/73/35/352237335.db2.gz YFTFPXZDVKESAF-SNVBAGLBSA-N 1 0 247.298 1.101 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2CCC[C@@H]2O)c1O ZINC000124848324 358528845 /nfs/dbraw/zinc/52/88/45/358528845.db2.gz RMVHUHXZIBJQJR-YPMHNXCESA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297126841 364788261 /nfs/dbraw/zinc/78/82/61/364788261.db2.gz YTMGUYXZDVLFDU-WCBMZHEXSA-N 1 0 207.273 1.350 20 10 BDCDRO O=C(NCC[NH2+]Cc1ccccc1O)C1CC1 ZINC000134225314 182188688 /nfs/dbraw/zinc/18/86/88/182188688.db2.gz NXRLNYPGJBZVDG-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO OCCCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296616443 183053246 /nfs/dbraw/zinc/05/32/46/183053246.db2.gz YVRWHDKGTTXUQO-LLVKDONJSA-N 1 0 221.300 1.742 20 10 BDCDRO OCC[C@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000278502764 183098060 /nfs/dbraw/zinc/09/80/60/183098060.db2.gz ODLAHFIZERTMJR-ZDUSSCGKSA-N 1 0 237.299 1.023 20 10 BDCDRO Oc1ccccc1C[NH+]1CCSCC1 ZINC000142816979 183301563 /nfs/dbraw/zinc/30/15/63/183301563.db2.gz XWCBLEYDANLDPN-UHFFFAOYSA-N 1 0 209.314 1.941 20 10 BDCDRO Oc1ccccc1C[NH2+]CC1(O)CCOCC1 ZINC000112717343 183302367 /nfs/dbraw/zinc/30/23/67/183302367.db2.gz UROZKDYBRUTBNL-UHFFFAOYSA-N 1 0 237.299 1.023 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362915 383971583 /nfs/dbraw/zinc/97/15/83/383971583.db2.gz MDJKNNLXTRWOLH-GFCCVEGCSA-N 1 0 221.300 1.482 20 10 BDCDRO COC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000070589895 384122636 /nfs/dbraw/zinc/12/26/36/384122636.db2.gz GCLLXKUDJSCVBT-NXEZZACHSA-N 1 0 225.288 1.050 20 10 BDCDRO CCN(C)CC[NH2+]Cc1cc(C)ccc1O ZINC000070955713 384142921 /nfs/dbraw/zinc/14/29/21/384142921.db2.gz JJCKLZFLBJLUPT-UHFFFAOYSA-N 1 0 222.332 1.742 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)CC[C@H](C)O)c1 ZINC000093481762 384242704 /nfs/dbraw/zinc/24/27/04/384242704.db2.gz QTEUIZAKAGSRBO-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618277 384308036 /nfs/dbraw/zinc/30/80/36/384308036.db2.gz SEPVVXWBBRPPTM-WCBMZHEXSA-N 1 0 243.278 1.189 20 10 BDCDRO C[C@@H](CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000083552155 384310006 /nfs/dbraw/zinc/31/00/06/384310006.db2.gz RFRDYXZNKKLEBY-MRVPVSSYSA-N 1 0 229.707 1.764 20 10 BDCDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000077422653 384407777 /nfs/dbraw/zinc/40/77/77/384407777.db2.gz MUEXDFKYASTNEH-RYUDHWBXSA-N 1 0 236.359 1.859 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000125739904 384744759 /nfs/dbraw/zinc/74/47/59/384744759.db2.gz FMOWYZNUCORAEH-GHMZBOCLSA-N 1 0 223.316 1.807 20 10 BDCDRO C[C@@H](C[NH2+]Cc1ccccc1O)N(C)C1CC1 ZINC000105488252 384869219 /nfs/dbraw/zinc/86/92/19/384869219.db2.gz VBNXYEUSZNCLRU-NSHDSACASA-N 1 0 234.343 1.965 20 10 BDCDRO C[C@@H]([NH2+]CC(C)(C)O)c1cc(F)ccc1O ZINC000087111428 385073129 /nfs/dbraw/zinc/07/31/29/385073129.db2.gz VWXCAQPIOROPLD-MRVPVSSYSA-N 1 0 227.279 1.953 20 10 BDCDRO C[C@@H]([NH2+]CCN(C)C)c1cc(F)ccc1O ZINC000087111296 385073383 /nfs/dbraw/zinc/07/33/83/385073383.db2.gz YZYDETNOFAPVGI-SECBINFHSA-N 1 0 226.295 1.744 20 10 BDCDRO C[C@@H](C(=O)NC1CC1)[N@H+](C)Cc1ccccc1O ZINC000109773587 385189134 /nfs/dbraw/zinc/18/91/34/385189134.db2.gz JTSYZOGFPJUQEV-JTQLQIEISA-N 1 0 248.326 1.491 20 10 BDCDRO C[C@@H](CCCO)C[NH2+]Cc1ccccc1O ZINC000294923801 385313632 /nfs/dbraw/zinc/31/36/32/385313632.db2.gz YXSXZNNHFBFAGS-NSHDSACASA-N 1 0 223.316 1.890 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]C[C@H](C)OC)c1 ZINC000191146059 385287378 /nfs/dbraw/zinc/28/73/78/385287378.db2.gz GESCZHJNVUUZIG-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccccc1O ZINC000179561090 385473338 /nfs/dbraw/zinc/47/33/38/385473338.db2.gz HUTHAPJQIZLUPV-SNVBAGLBSA-N 1 0 237.299 1.633 20 10 BDCDRO C[C@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179568284 385473812 /nfs/dbraw/zinc/47/38/12/385473812.db2.gz JTQNMRYMAUWZAM-NSHDSACASA-N 1 0 235.327 1.985 20 10 BDCDRO C[C@@H](O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000179568296 385473851 /nfs/dbraw/zinc/47/38/51/385473851.db2.gz JTQNMRYMAUWZAM-LLVKDONJSA-N 1 0 235.327 1.985 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000157194694 385490241 /nfs/dbraw/zinc/49/02/41/385490241.db2.gz OZYYKNWJWLXBGL-SNVBAGLBSA-N 1 0 234.299 1.008 20 10 BDCDRO CCOc1cccc(C[N@H+](C)CCCO)c1O ZINC000281817090 385704623 /nfs/dbraw/zinc/70/46/23/385704623.db2.gz QSMYBTNHAZTMCN-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(F)ccc1O ZINC000230392610 385734987 /nfs/dbraw/zinc/73/49/87/385734987.db2.gz ZPIWGRUCNZTYCG-BCTVWOGZSA-N 1 0 245.319 1.388 20 10 BDCDRO C[C@@H]1[NH2+]CCN(C(=O)Cc2ccc(N)cc2)[C@H]1C ZINC000262804363 385886526 /nfs/dbraw/zinc/88/65/26/385886526.db2.gz PVBNRNAVUQPWHH-QWRGUYRKSA-N 1 0 247.342 1.020 20 10 BDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000234901155 386114604 /nfs/dbraw/zinc/11/46/04/386114604.db2.gz VDEGACKVQUGGBT-NXEZZACHSA-N 1 0 225.288 1.050 20 10 BDCDRO C[N@H+](CCn1cncn1)Cc1ccccc1O ZINC000264702179 386263610 /nfs/dbraw/zinc/26/36/10/386263610.db2.gz KFFZUXHFPSHTKH-UHFFFAOYSA-N 1 0 232.287 1.116 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCC[C@H]1O ZINC000289747142 386350093 /nfs/dbraw/zinc/35/00/93/386350093.db2.gz QMAANGTVCDKHMS-DGCLKSJQSA-N 1 0 239.290 1.877 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2ncnn2C)c1 ZINC000276755089 386372111 /nfs/dbraw/zinc/37/21/11/386372111.db2.gz UACMZBIKZOUGLN-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO Cc1cc(C[N@H+](C)CCCO)ccc1N(C)C ZINC000294014832 386673765 /nfs/dbraw/zinc/67/37/65/386673765.db2.gz GYBIOXQVWOSPHS-UHFFFAOYSA-N 1 0 236.359 1.875 20 10 BDCDRO COC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000279628655 386711543 /nfs/dbraw/zinc/71/15/43/386711543.db2.gz BOGGMAUCHGWPBU-GFCCVEGCSA-N 1 0 239.315 1.106 20 10 BDCDRO COC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000234871369 387326352 /nfs/dbraw/zinc/32/63/52/387326352.db2.gz XKLFFSVHHRQAQA-GFCCVEGCSA-N 1 0 239.315 1.101 20 10 BDCDRO CC(=O)NCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296144000 388417833 /nfs/dbraw/zinc/41/78/33/388417833.db2.gz WJNXUPUFHKIXHL-LBPRGKRZSA-N 1 0 248.326 1.495 20 10 BDCDRO CN1CCc2cc(CNC3=[NH+]CCN3C)ccc21 ZINC000367002739 136000593 /nfs/dbraw/zinc/00/05/93/136000593.db2.gz KXHDOCBBBTYLOP-UHFFFAOYSA-N 1 0 244.342 1.070 20 10 BDCDRO C[C@H](CO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295782689 398087660 /nfs/dbraw/zinc/08/76/60/398087660.db2.gz AZVWVETYNIOKNZ-GXSJLCMTSA-N 1 0 221.300 1.598 20 10 BDCDRO C[C@H](O)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000291119794 398089526 /nfs/dbraw/zinc/08/95/26/398089526.db2.gz UTUQNQQEQUKVDO-QMMMGPOBSA-N 1 0 229.707 1.858 20 10 BDCDRO CCn1cnnc1C[NH2+][C@H](C)c1ccccc1O ZINC000228791327 172236767 /nfs/dbraw/zinc/23/67/67/172236767.db2.gz YBTYOYYAPVLCOZ-SNVBAGLBSA-N 1 0 246.314 1.854 20 10 BDCDRO C[NH+](C)C(C)(C)CNC(=O)Cc1ccc(N)cc1 ZINC000042288134 172395624 /nfs/dbraw/zinc/39/56/24/172395624.db2.gz IHNZIVIVUMEELW-UHFFFAOYSA-N 1 0 249.358 1.268 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071277939 172552490 /nfs/dbraw/zinc/55/24/90/172552490.db2.gz GCBODMMHKCNRQU-CQSZACIVSA-N 1 0 234.343 1.613 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000042560939 173303769 /nfs/dbraw/zinc/30/37/69/173303769.db2.gz FYXAICNZIWGREL-ZJUUUORDSA-N 1 0 236.315 1.486 20 10 BDCDRO COc1ccc(C[NH2+]CCNC(C)=O)cc1C ZINC000035052622 175106523 /nfs/dbraw/zinc/10/65/23/175106523.db2.gz GYHFRZHIULRUEX-UHFFFAOYSA-N 1 0 236.315 1.229 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)CC[C@@H](C)O)c1 ZINC000271796996 175157306 /nfs/dbraw/zinc/15/73/06/175157306.db2.gz KCVWRWONCQNXSD-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)CC[C@H](C)O)c1 ZINC000271796992 175157577 /nfs/dbraw/zinc/15/75/77/175157577.db2.gz KCVWRWONCQNXSD-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000271774462 175157711 /nfs/dbraw/zinc/15/77/11/175157711.db2.gz FWYQXFKCDSMKSD-LLVKDONJSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000294818521 175158532 /nfs/dbraw/zinc/15/85/32/175158532.db2.gz KHOOVWSYPQGHCL-AOOOYVTPSA-N 1 0 223.272 1.014 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)c1 ZINC000132359441 175158621 /nfs/dbraw/zinc/15/86/21/175158621.db2.gz OSKJUQHIKVJJMG-BZPMIXESSA-N 1 0 249.310 1.810 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000085983763 175159745 /nfs/dbraw/zinc/15/97/45/175159745.db2.gz HXWSWCHZYGUJAC-ZJUUUORDSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CCO)c1 ZINC000132435257 175160691 /nfs/dbraw/zinc/16/06/91/175160691.db2.gz KVZYOEUWXVLTME-VHSXEESVSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc(C[NH2+]C(C)(C)CCO)c1O ZINC000135228005 175263415 /nfs/dbraw/zinc/26/34/15/175263415.db2.gz FUOCXRTZQUGFEE-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO COc1cccc(C[NH2+]CCCCO)c1O ZINC000193281638 175264362 /nfs/dbraw/zinc/26/43/62/175264362.db2.gz XSKUNXSOONNWEF-UHFFFAOYSA-N 1 0 225.288 1.263 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cc(C)no2)c1O ZINC000044985741 175265459 /nfs/dbraw/zinc/26/54/59/175265459.db2.gz IPIQJWHMBWXHEF-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO C[C@@H](CCO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000097439160 175678189 /nfs/dbraw/zinc/67/81/89/175678189.db2.gz NXNBPYJPFIQWCK-NSHDSACASA-N 1 0 235.327 1.730 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)[C@H](C)CO1 ZINC000035782507 176304048 /nfs/dbraw/zinc/30/40/48/176304048.db2.gz VEUCBBYBKGZDDZ-GHMZBOCLSA-N 1 0 220.316 1.878 20 10 BDCDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N)cc1 ZINC000044412916 177182116 /nfs/dbraw/zinc/18/21/16/177182116.db2.gz JEIPMVWMTHKPFU-CMPLNLGQSA-N 1 0 247.342 1.355 20 10 BDCDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N)cc1 ZINC000044412912 177198453 /nfs/dbraw/zinc/19/84/53/177198453.db2.gz JEIPMVWMTHKPFU-JQWIXIFHSA-N 1 0 247.342 1.355 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000294866569 177395841 /nfs/dbraw/zinc/39/58/41/177395841.db2.gz WHPMRYCPJYNYTR-BXKDBHETSA-N 1 0 233.315 1.595 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000193545398 177396133 /nfs/dbraw/zinc/39/61/33/177396133.db2.gz GZDWSNYHEZAOME-ZWNOBZJWSA-N 1 0 247.342 1.068 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1C ZINC000263706517 490205585 /nfs/dbraw/zinc/20/55/85/490205585.db2.gz HEQXRXNKNSZQLS-GFCCVEGCSA-N 1 0 248.326 1.324 20 10 BDCDRO CC[NH2+]Cc1ccc(N2CCC(O)CC2)cc1 ZINC000034824099 535478412 /nfs/dbraw/zinc/47/84/12/535478412.db2.gz OHXSJBIDWLLEBA-UHFFFAOYSA-N 1 0 234.343 1.757 20 10 BDCDRO C[C@H](NC(=O)NCCC[NH3+])c1ccccc1O ZINC000891986497 582753205 /nfs/dbraw/zinc/75/32/05/582753205.db2.gz RBPRVDJTBCBZLC-VIFPVBQESA-N 1 0 237.303 1.101 20 10 BDCDRO COc1ccc(CNCC23CC(C2)C[NH2+]3)cc1C ZINC000853245735 588728439 /nfs/dbraw/zinc/72/84/39/588728439.db2.gz CDBIORQOUWXLKO-UHFFFAOYSA-N 1 0 246.354 1.845 20 10 BDCDRO Nc1ccc(NC[C@]23C[C@H]2C[NH2+]C3)cc1 ZINC000853246858 588728673 /nfs/dbraw/zinc/72/86/73/588728673.db2.gz VIAKOCKKIUMRLO-JOYOIKCWSA-N 1 0 203.289 1.290 20 10 BDCDRO CCOc1ccc(O)c(CN[C@H](C)C[NH2+]C)c1 ZINC000853250006 588729491 /nfs/dbraw/zinc/72/94/91/588729491.db2.gz XUZNSQOFSPEUAP-SNVBAGLBSA-N 1 0 238.331 1.488 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000854231375 588781383 /nfs/dbraw/zinc/78/13/83/588781383.db2.gz GSKJPQUSAUWNCD-VHSXEESVSA-N 1 0 238.331 1.659 20 10 BDCDRO C[C@@H](CC[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892055639 582777993 /nfs/dbraw/zinc/77/79/93/582777993.db2.gz KZDRLCLZLWSYCO-VIFPVBQESA-N 1 0 249.314 1.155 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](O)C2)cc1C ZINC000850417727 582916236 /nfs/dbraw/zinc/91/62/36/582916236.db2.gz JKRHPOMMXPYHDD-HAQNSBGRSA-N 1 0 221.300 1.622 20 10 BDCDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccccc1O ZINC000892792711 582983328 /nfs/dbraw/zinc/98/33/28/582983328.db2.gz UEXRAYXWEDQQHN-VIFPVBQESA-N 1 0 223.272 1.433 20 10 BDCDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccccc1O ZINC000840979168 583214396 /nfs/dbraw/zinc/21/43/96/583214396.db2.gz RXQNGRDCNFIACW-WCQYABFASA-N 1 0 235.327 1.985 20 10 BDCDRO COc1cc(C)cc(C[NH2+]CCF)c1O ZINC000894648798 583500589 /nfs/dbraw/zinc/50/05/89/583500589.db2.gz LNYIUTMIBTVXOH-UHFFFAOYSA-N 1 0 213.252 1.768 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000895059457 583575960 /nfs/dbraw/zinc/57/59/60/583575960.db2.gz WGNJDRKWRUUPNA-GHMZBOCLSA-N 1 0 237.299 1.322 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C/C=C\CO)c1O ZINC000895249053 583632016 /nfs/dbraw/zinc/63/20/16/583632016.db2.gz ZLPZWTRGRCIKPE-ARJAWSKDSA-N 1 0 237.299 1.347 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c(O)c1 ZINC000895324855 583651064 /nfs/dbraw/zinc/65/10/64/583651064.db2.gz NCKLCVQQQVWYHV-LBPRGKRZSA-N 1 0 248.326 1.315 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000895781279 583728679 /nfs/dbraw/zinc/72/86/79/583728679.db2.gz MEXIJQXUBGQZBU-LNSITVRQSA-N 1 0 247.338 1.903 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897681625 584039125 /nfs/dbraw/zinc/03/91/25/584039125.db2.gz XSTYFWGMVUACMM-PWSUYJOCSA-N 1 0 221.300 1.513 20 10 BDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@@H](O)C2)cc1C ZINC000897683427 584040152 /nfs/dbraw/zinc/04/01/52/584040152.db2.gz DDSRVAHVOJHRFF-RISCZKNCSA-N 1 0 235.327 1.822 20 10 BDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](C)[C@H](O)C2)cc1C ZINC000897683425 584040453 /nfs/dbraw/zinc/04/04/53/584040453.db2.gz DDSRVAHVOJHRFF-BXUZGUMPSA-N 1 0 235.327 1.822 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1O ZINC000897684464 584040580 /nfs/dbraw/zinc/04/05/80/584040580.db2.gz PPMTWQJDBJEWHT-BXKDBHETSA-N 1 0 207.273 1.205 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC[C@H](O)C2CC2)c1 ZINC000898203489 584090037 /nfs/dbraw/zinc/09/00/37/584090037.db2.gz VVEQWTVZBSUZNT-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898205359 584091709 /nfs/dbraw/zinc/09/17/09/584091709.db2.gz COBHYQPYWREMKB-CYBMUJFWSA-N 1 0 221.300 1.643 20 10 BDCDRO C[C@@H](C[NH3+])C[NH2+]Cc1cccc(F)c1[O-] ZINC000841047945 584124505 /nfs/dbraw/zinc/12/45/05/584124505.db2.gz FEHLEGZDIDGLPT-QMMMGPOBSA-N 1 0 212.268 1.216 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]CC2COC2)c1O ZINC000858551830 588964535 /nfs/dbraw/zinc/96/45/35/588964535.db2.gz ALZMPRDLXQYEQN-SECBINFHSA-N 1 0 237.299 1.698 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]CCCON)c(O)c1 ZINC000902425357 584593810 /nfs/dbraw/zinc/59/38/10/584593810.db2.gz MQLAJLMEHIBJOY-JTQLQIEISA-N 1 0 224.304 1.632 20 10 BDCDRO COc1cc(C[N@@H+]2CC[C@@H]2CO)c(O)cc1C ZINC000902630672 584647056 /nfs/dbraw/zinc/64/70/56/584647056.db2.gz BYNHZAIBDUNAJL-LLVKDONJSA-N 1 0 237.299 1.276 20 10 BDCDRO CC1(C)CN(Cc2cccc(F)c2O)C[C@H]1[NH3+] ZINC000903986515 584835501 /nfs/dbraw/zinc/83/55/01/584835501.db2.gz LICCMNNNPGPLEK-LLVKDONJSA-N 1 0 238.306 1.700 20 10 BDCDRO CCC[C@](C)([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877079114 584889773 /nfs/dbraw/zinc/88/97/73/584889773.db2.gz QZVDAPZKJUYKPU-ZDUSSCGKSA-N 1 0 235.331 1.749 20 10 BDCDRO CC[NH+](CC)CCNC(=O)C1=CC(=O)CS1 ZINC000731867083 584930664 /nfs/dbraw/zinc/93/06/64/584930664.db2.gz DSAWENSFKSHEIH-UHFFFAOYSA-N 1 0 242.344 1.525 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)[NH3+])c1 ZINC000817972706 584993894 /nfs/dbraw/zinc/99/38/94/584993894.db2.gz NVQDJRBLEZNTMH-VHSXEESVSA-N 1 0 208.305 1.698 20 10 BDCDRO CCn1ncc(CN(C)Cc2ccccc2O)n1 ZINC000838800149 585069180 /nfs/dbraw/zinc/06/91/80/585069180.db2.gz QSZWMPYBYBKOHA-UHFFFAOYSA-N 1 0 246.314 1.636 20 10 BDCDRO Cc1cccc(C[NH+]2CC(CCO)C2)c1O ZINC000839141418 585094455 /nfs/dbraw/zinc/09/44/55/585094455.db2.gz YHNPRQHYSWIXCF-UHFFFAOYSA-N 1 0 221.300 1.515 20 10 BDCDRO CN(C)c1ccc(C[N@H+](CCO)CC2CC2)cc1 ZINC000748817717 585196736 /nfs/dbraw/zinc/19/67/36/585196736.db2.gz QUANIIKYENKQCA-UHFFFAOYSA-N 1 0 248.370 1.957 20 10 BDCDRO Cc1cccc(C[N@H+](CCO)CC2CC2)c1O ZINC000775662226 585682788 /nfs/dbraw/zinc/68/27/88/585682788.db2.gz SHOIRLKIKSELEA-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO C[N@H+](Cc1cn[nH]c1)Cc1cc(F)ccc1O ZINC000779020512 585744132 /nfs/dbraw/zinc/74/41/32/585744132.db2.gz MPWVITOWIPBUDD-UHFFFAOYSA-N 1 0 235.262 1.886 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)c1ncnn1C ZINC000788971523 585932661 /nfs/dbraw/zinc/93/26/61/585932661.db2.gz KKPGNEZLROVCFV-VIFPVBQESA-N 1 0 232.287 1.372 20 10 BDCDRO COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000792197603 585997326 /nfs/dbraw/zinc/99/73/26/585997326.db2.gz ZBIUMUBHKAQFHO-PWSUYJOCSA-N 1 0 249.310 1.824 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]Cc1ncccc1O ZINC000793259467 586015350 /nfs/dbraw/zinc/01/53/50/586015350.db2.gz SWJSCVIWJZVUGE-UHFFFAOYSA-N 1 0 248.257 1.922 20 10 BDCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H](O)C1CC1 ZINC000809753149 586517923 /nfs/dbraw/zinc/51/79/23/586517923.db2.gz ZUNXYDPLBQJDSY-ZDUSSCGKSA-N 1 0 239.290 1.734 20 10 BDCDRO CN1C[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000814172864 586615510 /nfs/dbraw/zinc/61/55/10/586615510.db2.gz BXRBGQLEWYADTF-WCQYABFASA-N 1 0 232.327 1.528 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@@H]1C ZINC000816647979 586750553 /nfs/dbraw/zinc/75/05/53/586750553.db2.gz BNZVJOYIFQIKHK-RKDXNWHRSA-N 1 0 235.283 1.961 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000817709290 586818926 /nfs/dbraw/zinc/81/89/26/586818926.db2.gz OJXLJFPCPMIEGK-LLVKDONJSA-N 1 0 240.322 1.752 20 10 BDCDRO COc1ccc(O)c([C@@H](C)N[C@@H]2CC[NH2+]C2)c1 ZINC000817944711 586846217 /nfs/dbraw/zinc/84/62/17/586846217.db2.gz KCWUSYLFTCGDRP-NXEZZACHSA-N 1 0 236.315 1.413 20 10 BDCDRO Cc1ccc([C@@H](C)N[C@@H]2CC[NH2+]C2)c(O)c1 ZINC000817944584 586846273 /nfs/dbraw/zinc/84/62/73/586846273.db2.gz HGRSXBNSDIXAFX-GHMZBOCLSA-N 1 0 220.316 1.713 20 10 BDCDRO CC[C@@H](N[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944912 586846588 /nfs/dbraw/zinc/84/65/88/586846588.db2.gz OYTKDFREGPLTGM-CMPLNLGQSA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@@H](NC1C[NH2+]C1)c1ccc(F)cc1O ZINC000817956026 586846732 /nfs/dbraw/zinc/84/67/32/586846732.db2.gz OBQKONCWIIOISV-SSDOTTSWSA-N 1 0 210.252 1.154 20 10 BDCDRO C[NH2+]CCN[C@@H](C)c1cc(C)ccc1O ZINC000817951218 586848107 /nfs/dbraw/zinc/84/81/07/586848107.db2.gz BRYAWAJVQSXNMS-JTQLQIEISA-N 1 0 208.305 1.571 20 10 BDCDRO Oc1cccc2c1[C@H](NC[C@@H]1CCC[NH2+]1)CC2 ZINC000817953601 586848652 /nfs/dbraw/zinc/84/86/52/586848652.db2.gz OXXXQNLHKJOAEM-NWDGAFQWSA-N 1 0 232.327 1.721 20 10 BDCDRO C[NH2+]CCN[C@H](C)c1cc(Cl)ccc1O ZINC000817952804 586849382 /nfs/dbraw/zinc/84/93/82/586849382.db2.gz SUTBVAQUTIFAGP-MRVPVSSYSA-N 1 0 228.723 1.916 20 10 BDCDRO C[C@H]1CCNC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957615 586850422 /nfs/dbraw/zinc/85/04/22/586850422.db2.gz NGHUBLSRBYLLIF-FZMZJTMJSA-N 1 0 233.359 1.399 20 10 BDCDRO C[C@@H]1CCNC[C@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817969216 586855882 /nfs/dbraw/zinc/85/58/82/586855882.db2.gz SDFDXCQHKTUGKH-KGYLQXTDSA-N 1 0 246.354 1.967 20 10 BDCDRO CC[C@@H]([NH3+])CN[C@@H](C)c1cc(F)ccc1O ZINC000817979280 586862037 /nfs/dbraw/zinc/86/20/37/586862037.db2.gz JMLJGCGPIZNPGV-WCBMZHEXSA-N 1 0 226.295 1.919 20 10 BDCDRO Nc1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000818556228 586900436 /nfs/dbraw/zinc/90/04/36/586900436.db2.gz BVXUOZMXBVLLFM-UHFFFAOYSA-N 1 0 219.288 1.336 20 10 BDCDRO C[N@H+](CC[C@@H]1CCNC1=O)Cc1ccccc1O ZINC000821390931 587116064 /nfs/dbraw/zinc/11/60/64/587116064.db2.gz FYUMQBVBOPXJAQ-NSHDSACASA-N 1 0 248.326 1.350 20 10 BDCDRO COc1cccc(C[NH+]2CC3(CC3)C2)c1O ZINC000824533856 587274227 /nfs/dbraw/zinc/27/42/27/587274227.db2.gz QRFYOKUEALEIMS-UHFFFAOYSA-N 1 0 219.284 1.997 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000824726554 587284837 /nfs/dbraw/zinc/28/48/37/587284837.db2.gz NPPRMIIIAHCDKS-LBPRGKRZSA-N 1 0 243.253 1.594 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825104009 587304293 /nfs/dbraw/zinc/30/42/93/587304293.db2.gz KGLBFHFAKZWZLV-ZYHUDNBSSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)O)cc1Cl ZINC000825378644 587317424 /nfs/dbraw/zinc/31/74/24/587317424.db2.gz CQRBNXJOESQWQA-QMMMGPOBSA-N 1 0 229.707 1.824 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C/C=C\CO ZINC000826940269 587366044 /nfs/dbraw/zinc/36/60/44/587366044.db2.gz BCNRSOCYNMVCFS-PLNGDYQASA-N 1 0 234.343 1.699 20 10 BDCDRO C[C@@H](O)C1([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000827585165 587390401 /nfs/dbraw/zinc/39/04/01/587390401.db2.gz BDHZIOKTOLIBAN-MRVPVSSYSA-N 1 0 225.263 1.534 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H](C)C[NH3+] ZINC000829764641 587514540 /nfs/dbraw/zinc/51/45/40/587514540.db2.gz RFRCJRICWPVFAA-LLVKDONJSA-N 1 0 249.358 1.272 20 10 BDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000832659107 587674524 /nfs/dbraw/zinc/67/45/24/587674524.db2.gz MKZQDJZUMJOKSQ-JTQLQIEISA-N 1 0 247.342 1.068 20 10 BDCDRO C[C@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[NH2+]1 ZINC000834673848 587763587 /nfs/dbraw/zinc/76/35/87/587763587.db2.gz WUSVVXMYTCYGQE-GWCFXTLKSA-N 1 0 247.342 1.068 20 10 BDCDRO C[C@@H]1C[C@@H](NC(=O)Cc2ccc(N)cc2)CC[NH2+]1 ZINC000834673850 587763590 /nfs/dbraw/zinc/76/35/90/587763590.db2.gz WUSVVXMYTCYGQE-MFKMUULPSA-N 1 0 247.342 1.068 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCC[C@H]1O)CC2 ZINC000834912299 587770616 /nfs/dbraw/zinc/77/06/16/587770616.db2.gz CGOGVPDACVZEKX-GRYCIOLGSA-N 1 0 233.311 1.883 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(C)CCC(=O)N2)c1 ZINC000835061645 587779965 /nfs/dbraw/zinc/77/99/65/587779965.db2.gz UGXLYVUTJMHPMM-CQSZACIVSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(CO)CC1 ZINC000840937506 587930513 /nfs/dbraw/zinc/93/05/13/587930513.db2.gz VQZSJCBMCHAQAV-UHFFFAOYSA-N 1 0 234.343 1.676 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCN1CCC1 ZINC000840937001 587930840 /nfs/dbraw/zinc/93/08/40/587930840.db2.gz QFOWCPBQCJTCHA-UHFFFAOYSA-N 1 0 247.386 1.856 20 10 BDCDRO CN(C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000840958745 587932209 /nfs/dbraw/zinc/93/22/09/587932209.db2.gz UKOFZNOOHIXRRG-LBPRGKRZSA-N 1 0 248.326 1.302 20 10 BDCDRO Oc1c(F)cccc1CNC[C@H]1CCC[NH2+]1 ZINC000841035760 587937985 /nfs/dbraw/zinc/93/79/85/587937985.db2.gz LKUCVAMQCBCHAM-SNVBAGLBSA-N 1 0 224.279 1.373 20 10 BDCDRO COc1ccc(O)c(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000841042259 587938431 /nfs/dbraw/zinc/93/84/31/587938431.db2.gz HQOPMCQRAFBVIG-LLVKDONJSA-N 1 0 236.315 1.242 20 10 BDCDRO CC(C)[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841041703 587938540 /nfs/dbraw/zinc/93/85/40/587938540.db2.gz AMAYAKCGEVCWRY-CYBMUJFWSA-N 1 0 221.348 1.750 20 10 BDCDRO Cc1cc(O)c(CN[C@@H]2CC[NH2+]C2)cc1C ZINC000841045406 587939106 /nfs/dbraw/zinc/93/91/06/587939106.db2.gz UHSXANOXIOPWEJ-GFCCVEGCSA-N 1 0 220.316 1.461 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1cc(C)ccc1O ZINC000841066972 587942778 /nfs/dbraw/zinc/94/27/78/587942778.db2.gz YEXCHUYJTXTTRC-LLVKDONJSA-N 1 0 222.332 1.788 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1ccc(N(C)C)cc1 ZINC000841070594 587942936 /nfs/dbraw/zinc/94/29/36/587942936.db2.gz RIJNJQNDJIIUBC-GFCCVEGCSA-N 1 0 221.348 1.580 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078955 587945054 /nfs/dbraw/zinc/94/50/54/587945054.db2.gz FOKJTFPIYNUGMM-FICVDOATSA-N 1 0 245.370 1.368 20 10 BDCDRO CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000841846773 587977111 /nfs/dbraw/zinc/97/71/11/587977111.db2.gz UGUYVZVNEBGULT-GFCCVEGCSA-N 1 0 247.342 1.986 20 10 BDCDRO Cc1cc(O)c(CN2CC[C@@H]([NH3+])C2)cc1C ZINC000843045454 588075409 /nfs/dbraw/zinc/07/54/09/588075409.db2.gz RKRZXGSWNKEHDR-GFCCVEGCSA-N 1 0 220.316 1.542 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@H]1C ZINC000843047157 588076289 /nfs/dbraw/zinc/07/62/89/588076289.db2.gz HOPFCHZKCIBGBN-CYBMUJFWSA-N 1 0 247.386 1.855 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000843045143 588076486 /nfs/dbraw/zinc/07/64/86/588076486.db2.gz MSENBJXTXUVQIT-AWEZNQCLSA-N 1 0 247.386 1.855 20 10 BDCDRO Cc1cccc(CN(C)[C@@H]2CC[NH2+]C2)c1O ZINC000843049926 588076980 /nfs/dbraw/zinc/07/69/80/588076980.db2.gz YVNSBGLASAPAQX-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO CCOc1ccc(O)c(CN(C)[C@H](C)C[NH3+])c1 ZINC000843051759 588077324 /nfs/dbraw/zinc/07/73/24/588077324.db2.gz LKCFMTOOAMJHNS-SNVBAGLBSA-N 1 0 238.331 1.570 20 10 BDCDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000843503275 588117097 /nfs/dbraw/zinc/11/70/97/588117097.db2.gz JTDPUANMNLLOTO-NXEZZACHSA-N 1 0 235.331 1.053 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]CCN(C)C)c1O ZINC000846174756 588259237 /nfs/dbraw/zinc/25/92/37/588259237.db2.gz YXYYVWRGRHSSDE-JTQLQIEISA-N 1 0 238.331 1.613 20 10 BDCDRO CC[C@H](O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846171489 588259349 /nfs/dbraw/zinc/25/93/49/588259349.db2.gz SZFVJTDKMJNOGK-ZJUUUORDSA-N 1 0 239.315 1.822 20 10 BDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000848886133 588417213 /nfs/dbraw/zinc/41/72/13/588417213.db2.gz TWAVOVCSVUHBQF-LLVKDONJSA-N 1 0 235.327 1.769 20 10 BDCDRO COc1cccc(O)c1CN(C)CC(C)(C)[NH3+] ZINC000849350510 588474971 /nfs/dbraw/zinc/47/49/71/588474971.db2.gz OUICDOZSAUVNDU-UHFFFAOYSA-N 1 0 238.331 1.570 20 10 BDCDRO CCOc1ccc(C[NH2+]C/C=C\CO)c(O)c1 ZINC000850357999 588538946 /nfs/dbraw/zinc/53/89/46/588538946.db2.gz YHAZDLPRGACILT-ARJAWSKDSA-N 1 0 237.299 1.429 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2[NH2+]CC23CCCC3)cc1 ZINC000852824991 588706030 /nfs/dbraw/zinc/70/60/30/588706030.db2.gz FLJWSXOBPGKZFJ-GFCCVEGCSA-N 1 0 245.326 1.740 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2cccc(F)c2O)C[NH2+]1 ZINC000863485158 589293379 /nfs/dbraw/zinc/29/33/79/589293379.db2.gz VOQLEKYPDSZJMO-GXSJLCMTSA-N 1 0 238.306 1.761 20 10 BDCDRO Cc1cc(O)c(CN(C)C[C@H](C)[NH3+])cc1C ZINC000863652443 589307520 /nfs/dbraw/zinc/30/75/20/589307520.db2.gz SYBRAKCPAHUUCB-NSHDSACASA-N 1 0 222.332 1.788 20 10 BDCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000119654443 589321738 /nfs/dbraw/zinc/32/17/38/589321738.db2.gz YSNGHHGMFFIHDR-JTQLQIEISA-N 1 0 240.322 1.752 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2(CO)CC2)c1 ZINC000120384612 589409054 /nfs/dbraw/zinc/40/90/54/589409054.db2.gz LFDIPHQOZCUHIK-UHFFFAOYSA-N 1 0 207.273 1.315 20 10 BDCDRO C[C@@H]([NH2+]CC1(CO)CC1)c1cc(F)ccc1O ZINC000122329478 589581475 /nfs/dbraw/zinc/58/14/75/589581475.db2.gz PUUDZRQBVGGENC-SECBINFHSA-N 1 0 239.290 1.954 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C(C)(C)C[NH3+] ZINC000123007393 589651322 /nfs/dbraw/zinc/65/13/22/589651322.db2.gz HLUGSKGEUKDIJZ-UHFFFAOYSA-N 1 0 236.315 1.336 20 10 BDCDRO Nc1ccc(NC(=O)CC[NH2+]CC2CC2)cc1 ZINC000870932473 589698164 /nfs/dbraw/zinc/69/81/64/589698164.db2.gz GDZWAJRAJCHWTI-UHFFFAOYSA-N 1 0 233.315 1.597 20 10 BDCDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988581 589706831 /nfs/dbraw/zinc/70/68/31/589706831.db2.gz UBEJNCBHEGKNCP-NXEZZACHSA-N 1 0 236.315 1.425 20 10 BDCDRO C[C@H](NC(=O)C[NH2+]C1CC1)c1ccccc1O ZINC000870988371 589706912 /nfs/dbraw/zinc/70/69/12/589706912.db2.gz NVSKQQOOFOYSNE-VIFPVBQESA-N 1 0 234.299 1.321 20 10 BDCDRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000870988333 589706978 /nfs/dbraw/zinc/70/69/78/589706978.db2.gz MTASIQKVRWDBFL-NHCYSSNCSA-N 1 0 248.326 1.567 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872266835 589902791 /nfs/dbraw/zinc/90/27/91/589902791.db2.gz NDMXYBDJYXXOAT-PHIMTYICSA-N 1 0 249.310 1.479 20 10 BDCDRO Nc1ccc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876504050 590204021 /nfs/dbraw/zinc/20/40/21/590204021.db2.gz ILRAFXKDDUKUPA-LDYMZIIASA-N 1 0 237.278 1.155 20 10 BDCDRO Nc1ccc(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1 ZINC000876504769 590204088 /nfs/dbraw/zinc/20/40/88/590204088.db2.gz WFNLQIGVOREDEZ-AEBAWRHJSA-N 1 0 245.326 1.763 20 10 BDCDRO CC(=O)N1CC[NH+](Cc2ccc(C)cc2O)CC1 ZINC000876526352 590208433 /nfs/dbraw/zinc/20/84/33/590208433.db2.gz XYCHOGCKRPBNNE-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO Cc1ccc(C[NH+]2CCC(CO)CC2)c(O)c1 ZINC000876564433 590216153 /nfs/dbraw/zinc/21/61/53/590216153.db2.gz KIIIIKVQTQKIDQ-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO COCC[N@H+](CCO)Cc1c(C)cccc1O ZINC000876683893 590230603 /nfs/dbraw/zinc/23/06/03/590230603.db2.gz YZYBCATXRHSAEN-UHFFFAOYSA-N 1 0 239.315 1.141 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000876966826 590262081 /nfs/dbraw/zinc/26/20/81/590262081.db2.gz WSCGARXBHRNGCP-SNVBAGLBSA-N 1 0 249.232 1.713 20 10 BDCDRO CNC(=O)CCC[NH2+]Cc1ccc(C)cc1O ZINC000876982535 590264773 /nfs/dbraw/zinc/26/47/73/590264773.db2.gz BMXOZKOHUQFTQO-UHFFFAOYSA-N 1 0 236.315 1.316 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000876994750 590266986 /nfs/dbraw/zinc/26/69/86/590266986.db2.gz MHTRMQQKCJGADV-SNVBAGLBSA-N 1 0 234.299 1.021 20 10 BDCDRO CC[C@H]([NH2+]C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074167 590278117 /nfs/dbraw/zinc/27/81/17/590278117.db2.gz APMFCCULQPHAKX-NSHDSACASA-N 1 0 221.304 1.230 20 10 BDCDRO CC(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)[NH+](C)C ZINC000877077475 590278580 /nfs/dbraw/zinc/27/85/80/590278580.db2.gz JOYQZAIWTPUCQY-ZDUSSCGKSA-N 1 0 249.358 1.818 20 10 BDCDRO C[C@H](C(=O)N(C)c1ccc(N)cc1)[NH+](C)C ZINC000877076659 590278849 /nfs/dbraw/zinc/27/88/49/590278849.db2.gz OURUEYRNRRRSJL-SECBINFHSA-N 1 0 221.304 1.182 20 10 BDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877077996 590279211 /nfs/dbraw/zinc/27/92/11/590279211.db2.gz YMBCGDRHKCAELM-CABZTGNLSA-N 1 0 235.331 1.605 20 10 BDCDRO CN(C(=O)C(C)(C)C[NH3+])c1ccc(N)cc1 ZINC000877079166 590279605 /nfs/dbraw/zinc/27/96/05/590279605.db2.gz SYVDDGUOQMTSKM-UHFFFAOYSA-N 1 0 221.304 1.217 20 10 BDCDRO COC[C@@H](O)CC[NH2+]Cc1c(C)cccc1O ZINC000877123844 590289658 /nfs/dbraw/zinc/28/96/58/590289658.db2.gz PRAWLXJUTGXBPG-NSHDSACASA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)N(C)C ZINC000877149612 590292617 /nfs/dbraw/zinc/29/26/17/590292617.db2.gz DPZRFPXBHVNTQL-LLVKDONJSA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1ccc(C[NH2+]CC(=O)NCC2CC2)c(O)c1 ZINC000877166573 590295111 /nfs/dbraw/zinc/29/51/11/590295111.db2.gz BTXBPMOVTUBMDB-UHFFFAOYSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)C(=O)N(C)C)c(O)c1 ZINC000877474396 590336140 /nfs/dbraw/zinc/33/61/40/590336140.db2.gz VBJIQQPCHKDIPN-JTQLQIEISA-N 1 0 236.315 1.267 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCCCCO ZINC000877485896 590338901 /nfs/dbraw/zinc/33/89/01/590338901.db2.gz HNGGHNRGKLIFQB-UHFFFAOYSA-N 1 0 223.316 1.953 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCNC1=O ZINC000877562599 590359540 /nfs/dbraw/zinc/35/95/40/590359540.db2.gz XNAMELWPLIMPTA-NSHDSACASA-N 1 0 234.299 1.069 20 10 BDCDRO Cc1ccc(C[NH2+]CCC2(CO)CC2)c(O)c1 ZINC000877571415 590361774 /nfs/dbraw/zinc/36/17/74/590361774.db2.gz YHKNGXBTAKWSGH-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H](O)C2CCC2)c(O)c1 ZINC000877574832 590362742 /nfs/dbraw/zinc/36/27/42/590362742.db2.gz WWUDUOJTVLHDNG-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO CCNC(=O)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877580712 590364875 /nfs/dbraw/zinc/36/48/75/590364875.db2.gz NOWCZLJFQDADNQ-UHFFFAOYSA-N 1 0 248.326 1.269 20 10 BDCDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877595664 590369603 /nfs/dbraw/zinc/36/96/03/590369603.db2.gz GXPMXPUQOPHVHC-LBPRGKRZSA-N 1 0 248.326 1.269 20 10 BDCDRO Cc1ccc(C[NH2+]CC2(CC(N)=O)CC2)c(O)c1 ZINC000877595269 590369834 /nfs/dbraw/zinc/36/98/34/590369834.db2.gz WUONFYUEIHZPCG-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877595662 590370531 /nfs/dbraw/zinc/37/05/31/590370531.db2.gz GXPMXPUQOPHVHC-GFCCVEGCSA-N 1 0 248.326 1.269 20 10 BDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877639578 590382125 /nfs/dbraw/zinc/38/21/25/590382125.db2.gz BVLWZJYPBVDMCW-OLZOCXBDSA-N 1 0 221.300 1.968 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000877668176 590389022 /nfs/dbraw/zinc/38/90/22/590389022.db2.gz XMYQZWSLTQVZDX-XBXGTLAGSA-N 1 0 248.370 1.922 20 10 BDCDRO CC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000878455046 590570418 /nfs/dbraw/zinc/57/04/18/590570418.db2.gz NTIDAPQUPRREGM-NSHDSACASA-N 1 0 220.316 1.992 20 10 BDCDRO CC(=O)[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650505 590843853 /nfs/dbraw/zinc/84/38/53/590843853.db2.gz FHGUFFBAWZWCBM-ZANVPECISA-N 1 0 237.299 1.383 20 10 BDCDRO Cc1ccc(O)c(CN2CCC[C@H]3C[NH2+]C[C@H]32)c1 ZINC000299911337 634399424 /nfs/dbraw/zinc/39/94/24/634399424.db2.gz ACMFXKHFQGHOJL-GXTWGEPZSA-N 1 0 246.354 1.884 20 10 BDCDRO Cc1cc(C)c([C@H](C)[NH2+][C@@H]2CNOC2)c(O)c1 ZINC000925862323 635559576 /nfs/dbraw/zinc/55/95/76/635559576.db2.gz OGYPTPXODZJPMT-WDEREUQCSA-N 1 0 236.315 1.563 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925866966 635572581 /nfs/dbraw/zinc/57/25/81/635572581.db2.gz XQXMNSXBMVJELC-ZYHUDNBSSA-N 1 0 235.331 1.307 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)CCC[NH3+] ZINC000237056551 635610822 /nfs/dbraw/zinc/61/08/22/635610822.db2.gz KLMDXSRRRRVDHC-UHFFFAOYSA-N 1 0 249.358 1.416 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCN(C)C2)c1O ZINC000162861122 633040634 /nfs/dbraw/zinc/04/06/34/633040634.db2.gz WYNCNXVRGLCSOM-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO Cc1cc(O)c(C[NH+]2CCC(O)CC2)cc1C ZINC000302961122 635923704 /nfs/dbraw/zinc/92/37/04/635923704.db2.gz LWFOPKOGLKFJNO-UHFFFAOYSA-N 1 0 235.327 1.966 20 10 BDCDRO CCN1CC[C@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000328164662 633740009 /nfs/dbraw/zinc/74/00/09/633740009.db2.gz INPFUQSDPGMWRM-AWEZNQCLSA-N 1 0 247.386 1.936 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1 ZINC000310341824 634127260 /nfs/dbraw/zinc/12/72/60/634127260.db2.gz CZJSLUYFAJLHPA-BXUZGUMPSA-N 1 0 233.359 1.674 20 10 BDCDRO Oc1ccc(F)cc1CN[C@H]1CCC[NH2+]C1 ZINC000841043036 636925330 /nfs/dbraw/zinc/92/53/30/636925330.db2.gz MYZSBJBJYLOMCD-NSHDSACASA-N 1 0 224.279 1.373 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccccc1O ZINC000927151664 637061874 /nfs/dbraw/zinc/06/18/74/637061874.db2.gz YMLXWCVQSWSBQC-DCAQKATOSA-N 1 0 221.300 1.814 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCn2cccn2)cc1 ZINC000042351804 637190571 /nfs/dbraw/zinc/19/05/71/637190571.db2.gz SWIYCDUUQNQUJB-UHFFFAOYSA-N 1 0 244.342 1.739 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2C[NH2+]CC2(C)C)c1 ZINC000904462944 637406628 /nfs/dbraw/zinc/40/66/28/637406628.db2.gz MYJGKLDIUQRKIC-CYBMUJFWSA-N 1 0 234.343 1.788 20 10 BDCDRO C[C@@H]([NH2+]CC[S@](C)=O)c1ccccc1O ZINC000163980436 637505527 /nfs/dbraw/zinc/50/55/27/637505527.db2.gz JBMCWKXQRIBUDW-RFAUZJTJSA-N 1 0 227.329 1.421 20 10 BDCDRO C[NH2+]C1CC(C(=O)Nc2ccc(N)cc2)C1 ZINC000911661276 639692710 /nfs/dbraw/zinc/69/27/10/639692710.db2.gz SVOMYSWTSVVMGV-UHFFFAOYSA-N 1 0 219.288 1.205 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])[C@@H]3C[C@@H]32)cc1 ZINC000911659870 639693538 /nfs/dbraw/zinc/69/35/38/639693538.db2.gz GEGCRYOPQUJOOR-WHOHXGKFSA-N 1 0 231.299 1.191 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC000911661857 639695411 /nfs/dbraw/zinc/69/54/11/639695411.db2.gz YJGIMRZYMLYHNZ-NWDGAFQWSA-N 1 0 233.315 1.725 20 10 BDCDRO CNC(=O)CC[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000044989742 640481261 /nfs/dbraw/zinc/48/12/61/640481261.db2.gz ISQQOQJDFZHOQE-NSHDSACASA-N 1 0 249.358 1.539 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H](O)C(F)(F)F)c1O ZINC000224553838 640625398 /nfs/dbraw/zinc/62/53/98/640625398.db2.gz FWNKIWOAEVKNJQ-VIFPVBQESA-N 1 0 249.232 1.713 20 10 BDCDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1cc(F)ccc1O ZINC000226584584 640778374 /nfs/dbraw/zinc/77/83/74/640778374.db2.gz YEMFFIMTIKENQZ-JTQLQIEISA-N 1 0 249.289 1.906 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)O)c1 ZINC000228086003 640860000 /nfs/dbraw/zinc/86/00/00/640860000.db2.gz ZFMRZCCVIVUSTI-VHSXEESVSA-N 1 0 239.315 1.650 20 10 BDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000228356279 640871917 /nfs/dbraw/zinc/87/19/17/640871917.db2.gz QPOISAZZDOHLSD-LBPRGKRZSA-N 1 0 234.299 1.103 20 10 BDCDRO O=C(C[C@H]1CCC[NH2+]1)NCc1ccccc1O ZINC000228420328 640873865 /nfs/dbraw/zinc/87/38/65/640873865.db2.gz WANQFANORAWMID-LLVKDONJSA-N 1 0 234.299 1.151 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000229964590 640998809 /nfs/dbraw/zinc/99/88/09/640998809.db2.gz XNYISUZYZDPDII-GFCCVEGCSA-N 1 0 221.300 1.482 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCc2ccn(C)n2)c1 ZINC000230881463 641108707 /nfs/dbraw/zinc/10/87/07/641108707.db2.gz DXABFBLTLZSDID-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO C[NH2+]CCCC(=O)NCc1ccc(N(C)C)cc1 ZINC000040825893 641537142 /nfs/dbraw/zinc/53/71/42/641537142.db2.gz UJAPRYPBQWUKJI-UHFFFAOYSA-N 1 0 249.358 1.368 20 10 BDCDRO CC[C@H](N[C@H](C)c1ccccc1O)C(=O)OC ZINC000305450818 642660580 /nfs/dbraw/zinc/66/05/80/642660580.db2.gz LQAHRUFDDCFUKX-KOLCDFICSA-N 1 0 237.299 1.994 20 10 BDCDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccccc1O ZINC000179558849 642726273 /nfs/dbraw/zinc/72/62/73/642726273.db2.gz ZVZBHXFMJJFVTC-ZYHUDNBSSA-N 1 0 248.326 1.478 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cn[nH]c2)c1 ZINC000070955264 643087344 /nfs/dbraw/zinc/08/73/44/643087344.db2.gz WQNJBCYOTAZOHS-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO CN(C)c1ccc(CN(C)[C@H]2CC[NH2+]C2)cc1 ZINC000071309447 643122452 /nfs/dbraw/zinc/12/24/52/643122452.db2.gz QMCQQNNGSVMTRU-AWEZNQCLSA-N 1 0 233.359 1.546 20 10 BDCDRO CN(C)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320319 643201706 /nfs/dbraw/zinc/20/17/06/643201706.db2.gz PSEWQDCDKADKLK-OKILXGFUSA-N 1 0 245.370 1.404 20 10 BDCDRO COc1ccc(N(C)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000049973738 643572708 /nfs/dbraw/zinc/57/27/08/643572708.db2.gz CSAKZYIRQFCSBN-ZDUSSCGKSA-N 1 0 236.315 1.120 20 10 BDCDRO COc1ccc(N(C)C[C@H]2C[NH2+]CCO2)cc1 ZINC000049973741 643626045 /nfs/dbraw/zinc/62/60/45/643626045.db2.gz CSAKZYIRQFCSBN-CYBMUJFWSA-N 1 0 236.315 1.120 20 10 BDCDRO C[C@@H]([NH2+]Cc1cnc[nH]1)c1ccccc1O ZINC000084080958 643643580 /nfs/dbraw/zinc/64/35/80/643643580.db2.gz IXMBOCDFUKMDMD-SECBINFHSA-N 1 0 217.272 1.966 20 10 BDCDRO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922198181 643901799 /nfs/dbraw/zinc/90/17/99/643901799.db2.gz OTRDFGQCXXBSRJ-CHWSQXEVSA-N 1 0 233.311 1.625 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c1 ZINC000079926324 644217618 /nfs/dbraw/zinc/21/76/18/644217618.db2.gz PALJTDBTRRVWSR-MNOVXSKESA-N 1 0 248.326 1.630 20 10 BDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1ccc(N(C)C)cc1 ZINC000086466780 644465798 /nfs/dbraw/zinc/46/57/98/644465798.db2.gz WHXKGXMNJSTLIV-QWHCGFSZSA-N 1 0 247.386 1.935 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)CCF)cc1 ZINC000846096471 645403578 /nfs/dbraw/zinc/40/35/78/645403578.db2.gz IAPMJJILSPJBKR-LBPRGKRZSA-N 1 0 240.322 1.563 20 10 BDCDRO OC[C@@H](CCF)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000846097524 645404331 /nfs/dbraw/zinc/40/43/31/645404331.db2.gz QSOVDWXRLWBXAI-GFCCVEGCSA-N 1 0 239.290 1.432 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)CCF)c1 ZINC000846097064 645404349 /nfs/dbraw/zinc/40/43/49/645404349.db2.gz MRMPUDYGFGJBLT-LLVKDONJSA-N 1 0 227.279 1.511 20 10 BDCDRO COc1ccc(C[NH2+][C@H](CO)CCF)cc1C ZINC000846097498 645404841 /nfs/dbraw/zinc/40/48/41/645404841.db2.gz PZSVDPZGSDKKHN-LBPRGKRZSA-N 1 0 241.306 1.814 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000925781525 646477051 /nfs/dbraw/zinc/47/70/51/646477051.db2.gz AINDAAYADYCAMF-NQBHXWOUSA-N 1 0 234.343 1.959 20 10 BDCDRO C[C@H]1CN(Cc2ccccc2O)CC[NH2+]1 ZINC000083813945 711810432 /nfs/dbraw/zinc/81/04/32/711810432.db2.gz DDUVRVQHSFRSIB-JTQLQIEISA-N 1 0 206.289 1.186 20 10 BDCDRO COCC(COC)[NH2+][C@H](C)c1ccccc1O ZINC000388444263 711878873 /nfs/dbraw/zinc/87/88/73/711878873.db2.gz URZVLQJXSNRQHY-SNVBAGLBSA-N 1 0 239.315 1.704 20 10 BDCDRO OC/C=C\C[NH2+]Cc1c(O)cccc1Cl ZINC000717536377 712660902 /nfs/dbraw/zinc/66/09/02/712660902.db2.gz XXBKHSLRCJHQFF-UPHRSURJSA-N 1 0 227.691 1.684 20 10 BDCDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000722272644 710706882 /nfs/dbraw/zinc/70/68/82/710706882.db2.gz NSHCCGJQWLGJPK-RISCZKNCSA-N 1 0 246.354 1.661 20 10 BDCDRO C[NH2+]CCN(C)Cc1cccc(F)c1O ZINC000381797637 710716484 /nfs/dbraw/zinc/71/64/84/710716484.db2.gz CDVFTGJJZZGGKS-UHFFFAOYSA-N 1 0 212.268 1.183 20 10 BDCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(C)(C)O ZINC000390509506 711122940 /nfs/dbraw/zinc/12/29/40/711122940.db2.gz YVYJLOWHFOYZRY-MRVPVSSYSA-N 1 0 227.279 1.780 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](C)OC ZINC000390661152 711131153 /nfs/dbraw/zinc/13/11/53/711131153.db2.gz SFVGKMOXWWMZQS-SECBINFHSA-N 1 0 225.288 1.525 20 10 BDCDRO CCN1C[C@@H]([NH2+]Cc2ccccc2O)CC1=O ZINC000391480878 711138145 /nfs/dbraw/zinc/13/81/45/711138145.db2.gz OHPKUMSAWBDMHJ-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO C[NH+](C)C1CN(C(=O)Nc2ccc(N)cc2)C1 ZINC000394403406 711191450 /nfs/dbraw/zinc/19/14/50/711191450.db2.gz DEPIYPBNNPNRSR-UHFFFAOYSA-N 1 0 234.303 1.047 20 10 BDCDRO OCC1(CC[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000395963814 711218761 /nfs/dbraw/zinc/21/87/61/711218761.db2.gz YCPYYRACDJQFNX-UHFFFAOYSA-N 1 0 247.338 1.874 20 10 BDCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@@H](C)O ZINC000386728550 711649543 /nfs/dbraw/zinc/64/95/43/711649543.db2.gz ARUAUBDJMVGVLL-KCJUWKMLSA-N 1 0 227.279 1.780 20 10 BDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000092954829 711711676 /nfs/dbraw/zinc/71/16/76/711711676.db2.gz GJFCPOIWBQPTAI-PWSUYJOCSA-N 1 0 248.326 1.349 20 10 BDCDRO CC1(C)CNC(=O)[C@@H]1[NH2+]Cc1ccccc1O ZINC000895317468 711780604 /nfs/dbraw/zinc/78/06/04/711780604.db2.gz OWOXWLMULGCIJQ-NSHDSACASA-N 1 0 234.299 1.006 20 10 BDCDRO C[NH2+]CCNCc1ccc2c(c1)CCCO2 ZINC000161276728 711811379 /nfs/dbraw/zinc/81/13/79/711811379.db2.gz LVGVOJDNYQWALI-UHFFFAOYSA-N 1 0 220.316 1.321 20 10 BDCDRO COC[C@H](O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000070589370 711895793 /nfs/dbraw/zinc/89/57/93/711895793.db2.gz CIYLNYJYXPASFP-SNVBAGLBSA-N 1 0 245.706 1.143 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1O ZINC000700654379 712001692 /nfs/dbraw/zinc/00/16/92/712001692.db2.gz RLXHPQGFYKVQKE-NEPJUHHUSA-N 1 0 248.326 1.397 20 10 BDCDRO CN1C[C@@H]2C[N@H+](Cc3ccccc3O)C[C@]2(C)C1 ZINC000702390172 712050054 /nfs/dbraw/zinc/05/00/54/712050054.db2.gz DHXXEEKHZVHKDA-HIFRSBDPSA-N 1 0 246.354 1.776 20 10 BDCDRO CO[C@](C)(CO)C[NH2+]Cc1cccc(C)c1O ZINC000702514602 712054467 /nfs/dbraw/zinc/05/44/67/712054467.db2.gz QXMWLQFTZAVWQX-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO C[C@@H](F)CC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000702639871 712057856 /nfs/dbraw/zinc/05/78/56/712057856.db2.gz ZVVYWBKHPYQABO-MRVPVSSYSA-N 1 0 241.262 1.959 20 10 BDCDRO CN1CCC[C@H]([NH2+]Cc2ccccc2O)C1=O ZINC000704366828 712104852 /nfs/dbraw/zinc/10/48/52/712104852.db2.gz HWDJWWLDJNEHPS-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO CCN1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000708663936 712196514 /nfs/dbraw/zinc/19/65/14/712196514.db2.gz BBPZLOTTYKWTCE-CMPLNLGQSA-N 1 0 248.326 1.664 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000710997385 712273847 /nfs/dbraw/zinc/27/38/47/712273847.db2.gz HLRWBJGEOAMDLB-ZYHUDNBSSA-N 1 0 221.300 1.825 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]CCc1cn[nH]c1)CC2 ZINC000379591835 712389684 /nfs/dbraw/zinc/38/96/84/712389684.db2.gz YLSKMXMGZKVNLR-LBPRGKRZSA-N 1 0 243.310 1.935 20 10 BDCDRO CCNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037262452 712560706 /nfs/dbraw/zinc/56/07/06/712560706.db2.gz KNIWGMSXPFYIOT-NSHDSACASA-N 1 0 249.358 1.539 20 10 BDCDRO C[C@H]([NH2+]CCC(N)=O)c1ccc(N(C)C)cc1 ZINC000037262016 712560755 /nfs/dbraw/zinc/56/07/55/712560755.db2.gz SBFSPDWCYNKDPB-JTQLQIEISA-N 1 0 235.331 1.279 20 10 BDCDRO C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000037261358 712560818 /nfs/dbraw/zinc/56/08/18/712560818.db2.gz BWNVFQBCNIUVPK-UWVGGRQHSA-N 1 0 235.331 1.277 20 10 BDCDRO C[C@@H]([NH2+]CCC(N)=O)c1ccc(N(C)C)cc1 ZINC000037262017 712560891 /nfs/dbraw/zinc/56/08/91/712560891.db2.gz SBFSPDWCYNKDPB-SNVBAGLBSA-N 1 0 235.331 1.279 20 10 BDCDRO CC(C)[N@H+](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000037272251 712564815 /nfs/dbraw/zinc/56/48/15/712564815.db2.gz JOBQIEJFGNXBIQ-UHFFFAOYSA-N 1 0 235.331 1.572 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H](O)C(F)F)c1 ZINC000716711902 712570858 /nfs/dbraw/zinc/57/08/58/712570858.db2.gz IUZZHYZWLDNVNU-LLVKDONJSA-N 1 0 245.269 1.806 20 10 BDCDRO COC[C@](C)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000716814768 712576196 /nfs/dbraw/zinc/57/61/96/712576196.db2.gz ZUKNGKJBTJLQIJ-LBPRGKRZSA-N 1 0 243.278 1.018 20 10 BDCDRO CCOc1ccc(C[NH2+]CCF)c(O)c1 ZINC000379977573 712643711 /nfs/dbraw/zinc/64/37/11/712643711.db2.gz FKQMREPUZHQYIT-UHFFFAOYSA-N 1 0 213.252 1.850 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1O ZINC000038060522 712803894 /nfs/dbraw/zinc/80/38/94/712803894.db2.gz RGYADTQDGYJZCU-WDEREUQCSA-N 1 0 237.299 1.458 20 10 BDCDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1C ZINC000719566351 712810211 /nfs/dbraw/zinc/81/02/11/712810211.db2.gz XSEYYWZAIPWEMH-DOMZBBRYSA-N 1 0 247.386 1.935 20 10 BDCDRO C[C@@H]1[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1C ZINC000719566352 712810280 /nfs/dbraw/zinc/81/02/80/712810280.db2.gz XSEYYWZAIPWEMH-IUODEOHRSA-N 1 0 247.386 1.935 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1O ZINC000720934540 712879936 /nfs/dbraw/zinc/87/99/36/712879936.db2.gz DDHSKTPLTPNWFL-MXWKQRLJSA-N 1 0 221.300 1.814 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@@H](O)C2)c1 ZINC000720937688 712880667 /nfs/dbraw/zinc/88/06/67/712880667.db2.gz WLKHEBILGAZMLB-KLPPZKSPSA-N 1 0 221.300 1.561 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccccc1O)C(=O)NC ZINC000697888988 964642825 /nfs/dbraw/zinc/64/28/25/964642825.db2.gz KBAVPDUXTCIQJO-SNVBAGLBSA-N 1 0 222.288 1.006 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(Cl)cc2O)C[C@H]1[NH3+] ZINC001206065474 968032272 /nfs/dbraw/zinc/03/22/72/968032272.db2.gz XJYKSFSFHUWSDM-LDYMZIIASA-N 1 0 240.734 1.825 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CC=CC2)cc1O ZINC001233482218 978613457 /nfs/dbraw/zinc/61/34/57/978613457.db2.gz FOTZLTOCVUYLAF-UHFFFAOYSA-N 1 0 207.229 1.175 20 10 BDCDRO Cc1ccc(C)c(C[N@H+](C)CCO)c1O ZINC001236254743 979471299 /nfs/dbraw/zinc/47/12/99/979471299.db2.gz CINYGYNHYLWPFM-UHFFFAOYSA-N 1 0 209.289 1.433 20 10 BDCDRO CC[NH+](CC)Cc1c(O)cc(O)cc1O ZINC001144499166 972846443 /nfs/dbraw/zinc/84/64/43/972846443.db2.gz CWPICWJGGDUOIA-UHFFFAOYSA-N 1 0 211.261 1.645 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCSCC2)c(O)c1 ZINC001144503862 972850494 /nfs/dbraw/zinc/85/04/94/972850494.db2.gz GHBXTFHRLHYQPN-UHFFFAOYSA-N 1 0 241.312 1.352 20 10 BDCDRO Cc1ccc(O)c(CN2CC[C@@](C)([NH3+])C2)c1 ZINC000405863286 971315492 /nfs/dbraw/zinc/31/54/92/971315492.db2.gz QGMHOMGALYFVMT-CYBMUJFWSA-N 1 0 220.316 1.624 20 10 BDCDRO Oc1ccc(F)cc1C[NH+]1CC2(CC(O)C2)C1 ZINC001140057787 957502671 /nfs/dbraw/zinc/50/26/71/957502671.db2.gz MIPXOJJAGZYLKD-UHFFFAOYSA-N 1 0 237.274 1.488 20 10 BDCDRO COC(=O)CC1C[NH+](Cc2cc(C)ccc2O)C1 ZINC001140621021 960466739 /nfs/dbraw/zinc/46/67/39/960466739.db2.gz MKPVSPXIEKZKFV-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCN3CC[C@H]3C2)c(O)c1 ZINC001140953840 960758828 /nfs/dbraw/zinc/75/88/28/960758828.db2.gz HQAOPWDYKLODAH-ZDUSSCGKSA-N 1 0 232.327 1.591 20 10 BDCDRO CN1CCOc2cc(C[NH+]3CC=CC3)ccc21 ZINC001141140007 960886537 /nfs/dbraw/zinc/88/65/37/960886537.db2.gz HDCULEUTWWAGJG-UHFFFAOYSA-N 1 0 230.311 1.887 20 10 BDCDRO OC[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155711 960889518 /nfs/dbraw/zinc/88/95/18/960889518.db2.gz GEVMXGHJXHPLHR-SNVBAGLBSA-N 1 0 237.299 1.302 20 10 BDCDRO COC[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156671 960891063 /nfs/dbraw/zinc/89/10/63/960891063.db2.gz QDZBXDRGXXYWJQ-LLVKDONJSA-N 1 0 237.299 1.709 20 10 BDCDRO CC1(C)C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141155758 960891459 /nfs/dbraw/zinc/89/14/59/960891459.db2.gz IZFFUVCZHVNWOG-UHFFFAOYSA-N 1 0 207.273 1.940 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CC3(C2)CCOC3)c1 ZINC001141155704 960891813 /nfs/dbraw/zinc/89/18/13/960891813.db2.gz GCRLGUMAOYKCKK-UHFFFAOYSA-N 1 0 235.283 1.320 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c1 ZINC001141161498 960895991 /nfs/dbraw/zinc/89/59/91/960895991.db2.gz SCNZAJJFPUHLEQ-CNDDSTCGSA-N 1 0 237.274 1.745 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@]23CCOC3)c1 ZINC001141161890 960901033 /nfs/dbraw/zinc/90/10/33/960901033.db2.gz HGYDSZNKEWJFIH-CYBMUJFWSA-N 1 0 235.283 1.463 20 10 BDCDRO Oc1cccc(F)c1CN1CCC[NH2+]CC1 ZINC001204661177 961057649 /nfs/dbraw/zinc/05/76/49/961057649.db2.gz ZHDRIGVMPHRRDC-UHFFFAOYSA-N 1 0 224.279 1.327 20 10 BDCDRO Oc1ccc(F)c(F)c1CN1CCC[NH2+]CC1 ZINC001204674801 961390183 /nfs/dbraw/zinc/39/01/83/961390183.db2.gz FBUMCCUANUCPKJ-UHFFFAOYSA-N 1 0 242.269 1.466 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2cc(O)ccc2O)C1 ZINC001204782312 963531216 /nfs/dbraw/zinc/53/12/16/963531216.db2.gz CVGMFUOSKDRRCW-LBPRGKRZSA-N 1 0 222.288 1.021 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2cc(O)ccc2O)C1 ZINC001204782311 963531956 /nfs/dbraw/zinc/53/19/56/963531956.db2.gz CVGMFUOSKDRRCW-GFCCVEGCSA-N 1 0 222.288 1.021 20 10 BDCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC ZINC000697916454 964679044 /nfs/dbraw/zinc/67/90/44/964679044.db2.gz LVBDZPYDOYXYNY-KOLCDFICSA-N 1 0 236.315 1.567 20 10 BDCDRO COc1ccc(O)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001235165055 966020260 /nfs/dbraw/zinc/02/02/60/966020260.db2.gz GCFCLFGMDPCGGA-SMDDNHRTSA-N 1 0 248.326 1.324 20 10 BDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cccc(F)c1O)C2 ZINC001235978646 966193820 /nfs/dbraw/zinc/19/38/20/966193820.db2.gz JOKWESSICKZHHX-MFKMUULPSA-N 1 0 236.290 1.454 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H]3C[NH2+]C[C@H]32)c1 ZINC001236282096 966331148 /nfs/dbraw/zinc/33/11/48/966331148.db2.gz BKRSJGDKIYQYFB-NWDGAFQWSA-N 1 0 218.300 1.104 20 10 BDCDRO CC1(C[NH3+])CN(Cc2c(O)cccc2F)C1 ZINC001206717752 966396913 /nfs/dbraw/zinc/39/69/13/966396913.db2.gz FFMXTFGSCVUMIJ-UHFFFAOYSA-N 1 0 224.279 1.312 20 10 BDCDRO C[C@@]1(CO)CC[N@H+](Cc2ccccc2O)C1 ZINC001203550238 966678213 /nfs/dbraw/zinc/67/82/13/966678213.db2.gz NUTHIZZOTUERLT-CYBMUJFWSA-N 1 0 221.300 1.597 20 10 BDCDRO Oc1ccccc1C[N@H+]1CCc2nncn2CC1 ZINC001203550093 966680698 /nfs/dbraw/zinc/68/06/98/966680698.db2.gz HLEGJSSNIRTCQG-UHFFFAOYSA-N 1 0 244.298 1.042 20 10 BDCDRO CCOc1cccc(C[NH+]2CC3(COC3)C2)c1O ZINC001203602220 966703031 /nfs/dbraw/zinc/70/30/31/966703031.db2.gz JNHWVIMFMDFZJZ-UHFFFAOYSA-N 1 0 249.310 1.623 20 10 BDCDRO CCOc1cccc(C[NH+]2CC(CO)C2)c1O ZINC001203608976 966705634 /nfs/dbraw/zinc/70/56/34/966705634.db2.gz DLDNLDNZRREAAV-UHFFFAOYSA-N 1 0 237.299 1.215 20 10 BDCDRO COc1ccc(CN2CC([NH+](C)C)C2)c(O)c1 ZINC001203620979 966711804 /nfs/dbraw/zinc/71/18/04/966711804.db2.gz LXNZAODCSHIULD-UHFFFAOYSA-N 1 0 236.315 1.147 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001203665335 966728551 /nfs/dbraw/zinc/72/85/51/966728551.db2.gz GSSPKJDUQVHZSL-UHFFFAOYSA-N 1 0 249.310 1.358 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](C(C)=O)C2)c1 ZINC001203681396 966733962 /nfs/dbraw/zinc/73/39/62/966733962.db2.gz WBFUKQUGGMYUTE-NSHDSACASA-N 1 0 249.310 1.812 20 10 BDCDRO OC[C@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874427 966792189 /nfs/dbraw/zinc/79/21/89/966792189.db2.gz XIKZZZVSTWLTQO-NSHDSACASA-N 1 0 237.299 1.302 20 10 BDCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001203930528 966824133 /nfs/dbraw/zinc/82/41/33/966824133.db2.gz XIMMUXNIYOWPNN-OCCSQVGLSA-N 1 0 248.370 1.955 20 10 BDCDRO Oc1ccc(C[N@H+]2CCC[C@@H](O)CC2)c(O)c1 ZINC001204272294 966949813 /nfs/dbraw/zinc/94/98/13/966949813.db2.gz MNHFFSQVEDLIKJ-LLVKDONJSA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC001204272562 966950156 /nfs/dbraw/zinc/95/01/56/966950156.db2.gz QFKGIJFTGCZVQD-UHFFFAOYSA-N 1 0 235.283 1.320 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCCC1=O ZINC001204271723 966951165 /nfs/dbraw/zinc/95/11/65/966951165.db2.gz CUYGFXWPDIWSBO-SNVBAGLBSA-N 1 0 249.310 1.899 20 10 BDCDRO CC1(C)C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204273114 966951473 /nfs/dbraw/zinc/95/14/73/966951473.db2.gz YTOUACZZPMHTLB-UHFFFAOYSA-N 1 0 207.273 1.940 20 10 BDCDRO CC1(O)CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272873 966951898 /nfs/dbraw/zinc/95/18/98/966951898.db2.gz UKFIGINQJBLYRO-UHFFFAOYSA-N 1 0 237.299 1.445 20 10 BDCDRO C[N@H+](Cc1ccc(O)cc1O)C1CCOCC1 ZINC001204271975 966954905 /nfs/dbraw/zinc/95/49/05/966954905.db2.gz FFXFYFSFMHBXPH-UHFFFAOYSA-N 1 0 237.299 1.709 20 10 BDCDRO CN1CC[C@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]21 ZINC001204279503 966961802 /nfs/dbraw/zinc/96/18/02/966961802.db2.gz ZULLGHBTOJYFOI-GXFFZTMASA-N 1 0 248.326 1.234 20 10 BDCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921742618 967242312 /nfs/dbraw/zinc/24/23/12/967242312.db2.gz XAZQAGMDSKFWPT-AWEZNQCLSA-N 1 0 247.338 1.872 20 10 BDCDRO [NH3+]CC1CC[NH+](Cc2c([O-])cccc2F)CC1 ZINC001205033454 967297299 /nfs/dbraw/zinc/29/72/99/967297299.db2.gz HPRFMMOEEGXBBD-UHFFFAOYSA-N 1 0 238.306 1.702 20 10 BDCDRO Cn1ccnc1CN1CCc2cccc(O)c2C1 ZINC001205143862 967390363 /nfs/dbraw/zinc/39/03/63/967390363.db2.gz CHPWTRDNTVWEIC-UHFFFAOYSA-N 1 0 243.310 1.684 20 10 BDCDRO COCC[N@H+](C)Cc1c(C)cc(OC)cc1O ZINC001205202583 967425348 /nfs/dbraw/zinc/42/53/48/967425348.db2.gz YZLWTZLQAVWXMQ-UHFFFAOYSA-N 1 0 239.315 1.787 20 10 BDCDRO C[C@@H]1CC[C@@H](CN)[N@H+](Cc2ccccc2O)C1 ZINC001205807184 967829804 /nfs/dbraw/zinc/82/98/04/967829804.db2.gz YKTFJVSHSIQQKS-YPMHNXCESA-N 1 0 234.343 1.951 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000169815802 967879874 /nfs/dbraw/zinc/87/98/74/967879874.db2.gz PSLDNPMCGZJEGE-GFCCVEGCSA-N 1 0 233.315 1.027 20 10 BDCDRO Cc1cccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c1O ZINC001206436804 968301948 /nfs/dbraw/zinc/30/19/48/968301948.db2.gz NURPMCRRTHXLFT-NWDGAFQWSA-N 1 0 238.306 1.572 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)c1O ZINC000723686027 970004367 /nfs/dbraw/zinc/00/43/67/970004367.db2.gz KEVNDXVNIKGAJO-OKILXGFUSA-N 1 0 246.354 1.979 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1O ZINC000691480010 970006367 /nfs/dbraw/zinc/00/63/67/970006367.db2.gz AUDQILQDCCFHRK-CYBMUJFWSA-N 1 0 235.327 1.815 20 10 BDCDRO Cc1ccc(C[NH2+]CCOCCCO)c(O)c1 ZINC001330640086 974380080 /nfs/dbraw/zinc/38/00/80/974380080.db2.gz XVTSCCWIYGIVIQ-UHFFFAOYSA-N 1 0 239.315 1.189 20 10 BDCDRO Oc1ccccc1C[NH2+]C1C[C@@H]2C=C[C@H](C1)O2 ZINC001172228176 974463941 /nfs/dbraw/zinc/46/39/41/974463941.db2.gz IRPWIKCKAGXBIZ-YHWZYXNKSA-N 1 0 231.295 1.968 20 10 BDCDRO C[C@@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccccc1O ZINC001330875622 974516367 /nfs/dbraw/zinc/51/63/67/974516367.db2.gz HBKNGZQKVSEMIW-BXKDBHETSA-N 1 0 248.326 1.697 20 10 BDCDRO COC(=O)c1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173883565 975956460 /nfs/dbraw/zinc/95/64/60/975956460.db2.gz MSCGDKMTTQJSGV-UHFFFAOYSA-N 1 0 244.250 1.739 20 10 BDCDRO Nc1ccc(CN2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC001334754290 976625419 /nfs/dbraw/zinc/62/54/19/976625419.db2.gz OMTCLFZIVSLVRF-KGLIPLIRSA-N 1 0 231.343 1.595 20 10 BDCDRO CC(C)[C@@H]([NH3+])CNCc1ccc(N)cc1 ZINC001336284798 977615918 /nfs/dbraw/zinc/61/59/18/977615918.db2.gz DEXRZBJVZYSAIU-LBPRGKRZSA-N 1 0 207.321 1.342 20 10 BDCDRO CO[C@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@H]1F ZINC001231590803 977644527 /nfs/dbraw/zinc/64/45/27/977644527.db2.gz IBUKYLAFTNFGFR-RYUDHWBXSA-N 1 0 239.290 1.869 20 10 BDCDRO Cc1cccc(C[NH+]2CC3(COC3)C2)c1O ZINC001231591094 977644717 /nfs/dbraw/zinc/64/47/17/977644717.db2.gz SIBQHRWNQWTODF-UHFFFAOYSA-N 1 0 219.284 1.533 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CCN(C)CC2)c(O)c1 ZINC001231841047 977753744 /nfs/dbraw/zinc/75/37/44/977753744.db2.gz CSMILTZQDLIJMJ-UHFFFAOYSA-N 1 0 234.343 1.756 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCCNC(=O)C2)c(O)c1 ZINC001231841534 977762644 /nfs/dbraw/zinc/76/26/44/977762644.db2.gz BLLQGXAKHGOJMG-UHFFFAOYSA-N 1 0 248.326 1.331 20 10 BDCDRO Oc1cc(C[N@@H+]2CCC3(CC3)C2)cc(O)c1O ZINC001233014196 978414086 /nfs/dbraw/zinc/41/40/86/978414086.db2.gz MRWFRUITYYZFPP-UHFFFAOYSA-N 1 0 235.283 1.789 20 10 BDCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001337838224 978519712 /nfs/dbraw/zinc/51/97/12/978519712.db2.gz KUVDGSGKNIKBCB-CYBMUJFWSA-N 1 0 248.326 1.796 20 10 BDCDRO CC1C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483328 978610244 /nfs/dbraw/zinc/61/02/44/978610244.db2.gz VXTDFTWTJQCRPI-UHFFFAOYSA-N 1 0 209.245 1.255 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc1O ZINC001233485788 978610437 /nfs/dbraw/zinc/61/04/37/978610437.db2.gz KQLLENKCEXFGGT-WCBMZHEXSA-N 1 0 235.283 1.788 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235038538 978958965 /nfs/dbraw/zinc/95/89/65/978958965.db2.gz NMFGZBLWQSESMZ-LSDHHAIUSA-N 1 0 245.370 1.689 20 10 BDCDRO Oc1ccc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001235074361 978969957 /nfs/dbraw/zinc/96/99/57/978969957.db2.gz CKCXQMASSSDKNT-VXGBXAGGSA-N 1 0 234.299 1.034 20 10 BDCDRO Nc1ccc(CN2CCCC[C@]23CC[NH2+]C3)cc1 ZINC001235121584 978978274 /nfs/dbraw/zinc/97/82/74/978978274.db2.gz YAYPBGDWHIZPCS-OAHLLOKOSA-N 1 0 245.370 1.987 20 10 BDCDRO Cc1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988512 979267073 /nfs/dbraw/zinc/26/70/73/979267073.db2.gz GQCJOZMCNVJSAL-OCCSQVGLSA-N 1 0 232.327 1.624 20 10 BDCDRO Cc1cccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990645 979272349 /nfs/dbraw/zinc/27/23/49/979272349.db2.gz NFAVIPNKYNXNJD-GXTWGEPZSA-N 1 0 232.327 1.624 20 10 BDCDRO Cc1cc(C)c(CN(C2CC2)C2C[NH2+]C2)c(O)c1 ZINC001236065092 979355902 /nfs/dbraw/zinc/35/59/02/979355902.db2.gz ZHDLWWVTHJQHEP-UHFFFAOYSA-N 1 0 246.354 1.945 20 10 BDCDRO C[C@H]([NH3+])CN1CCc2cccc(O)c2C1 ZINC001236072557 979361730 /nfs/dbraw/zinc/36/17/30/979361730.db2.gz JNFQSQZHLORLHR-VIFPVBQESA-N 1 0 206.289 1.098 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@]1(C)CCC[NH2+]C1 ZINC001236206752 979449474 /nfs/dbraw/zinc/44/94/74/979449474.db2.gz LPEPZTCRFHSMFI-CQSZACIVSA-N 1 0 233.359 1.843 20 10 BDCDRO CN(C)c1ccc(CN2CCC[C@@H]2C[NH3+])c(O)c1 ZINC001236250095 979468510 /nfs/dbraw/zinc/46/85/10/979468510.db2.gz BRNYSSRZYOFXTF-CYBMUJFWSA-N 1 0 249.358 1.381 20 10 BDCDRO Oc1cccc(Cl)c1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236284298 979488011 /nfs/dbraw/zinc/48/80/11/979488011.db2.gz HPODOOJWWVWVKU-KCJUWKMLSA-N 1 0 238.718 1.449 20 10 BDCDRO Cc1cccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c1O ZINC001236288544 979493807 /nfs/dbraw/zinc/49/38/07/979493807.db2.gz IFUNWUOCHNYZHR-NEPJUHHUSA-N 1 0 218.300 1.104 20 10 BDCDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(N)cc1 ZINC001236421165 979591920 /nfs/dbraw/zinc/59/19/20/979591920.db2.gz BDBGMRRGKPNINJ-CYBMUJFWSA-N 1 0 219.332 1.453 20 10 BDCDRO C[C@@H]1C[C@H](C(=O)NCc2ccc(N)cc2)CC[NH2+]1 ZINC001341932407 979597101 /nfs/dbraw/zinc/59/71/01/979597101.db2.gz YGEDBNHTGLCYJE-ZYHUDNBSSA-N 1 0 247.342 1.273 20 10 BDCDRO Cc1ccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c(O)c1 ZINC001236580431 979656113 /nfs/dbraw/zinc/65/61/13/979656113.db2.gz ZRAOJYKUMQMEJC-TXEJJXNPSA-N 1 0 234.343 1.883 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC001236580006 979656148 /nfs/dbraw/zinc/65/61/48/979656148.db2.gz PPIMLVNYEMYVMM-RYUDHWBXSA-N 1 0 234.343 1.883 20 10 BDCDRO CCc1ccc(C[NH+]2CC(C(=O)OC)C2)c(O)c1 ZINC001236782863 979728143 /nfs/dbraw/zinc/72/81/43/979728143.db2.gz GFRILBKFJZFDOS-UHFFFAOYSA-N 1 0 249.310 1.559 20 10 BDCDRO CCc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC001236795591 979741642 /nfs/dbraw/zinc/74/16/42/979741642.db2.gz WQXLEEVNILSROY-GFCCVEGCSA-N 1 0 248.326 1.262 20 10 BDCDRO Cc1cc(C[NH2+]Cc2ccc3c(c2)CCO3)[nH]n1 ZINC000716459448 979833069 /nfs/dbraw/zinc/83/30/69/979833069.db2.gz XJSDYZUYIQVIMU-UHFFFAOYSA-N 1 0 243.310 1.943 20 10 BDCDRO Nc1ccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC001343473916 980119533 /nfs/dbraw/zinc/11/95/33/980119533.db2.gz RVFBSTKVQFFZPV-GFCCVEGCSA-N 1 0 247.342 1.275 20 10 BDCDRO Nc1ccc(C[NH2+][C@@H]2CCO[C@H]2C2CC2)cc1 ZINC001345159808 980569688 /nfs/dbraw/zinc/56/96/88/980569688.db2.gz MQXPQEOAGBLIBS-KGLIPLIRSA-N 1 0 232.327 1.926 20 10 BDCDRO CC(C)C(=O)NCC[N@H+](C)Cc1ccc(N)cc1 ZINC001345159485 980570655 /nfs/dbraw/zinc/57/06/55/980570655.db2.gz HUIQXWQLJMYKGU-UHFFFAOYSA-N 1 0 249.358 1.473 20 10 BDCDRO CCn1ccc(C2=CCC[NH2+]C2)cc1=O ZINC001240670058 981579881 /nfs/dbraw/zinc/57/98/81/981579881.db2.gz DKVDFFOYPGIWMA-UHFFFAOYSA-N 1 0 204.273 1.245 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@]3(CCOC3)C2)cc1O ZINC001203875752 982558202 /nfs/dbraw/zinc/55/82/02/982558202.db2.gz UEOYJYZDTLXILH-CQSZACIVSA-N 1 0 249.310 1.710 20 10 BDCDRO C[C@@]12COC[C@H]1C[N@H+](Cc1ccc(N)cc1)C2 ZINC001352788656 982582622 /nfs/dbraw/zinc/58/26/22/982582622.db2.gz FVWOKKREPUSZNZ-TZMCWYRMSA-N 1 0 232.327 1.737 20 10 BDCDRO CN(C(=O)[C@@H]1CCCCC[NH2+]1)c1ccc(N)cc1 ZINC001352849746 982601922 /nfs/dbraw/zinc/60/19/22/982601922.db2.gz MGUWZEWCXUZAEN-ZDUSSCGKSA-N 1 0 247.342 1.764 20 10 BDCDRO NC[C@H]([NH2+]Cc1ccc(N)cc1)C1CCCC1 ZINC001356083734 983569316 /nfs/dbraw/zinc/56/93/16/983569316.db2.gz ZJVRIKFKHMUGND-AWEZNQCLSA-N 1 0 233.359 1.876 20 10 BDCDRO CC[C@H](C)C[C@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001356237802 983588199 /nfs/dbraw/zinc/58/81/99/983588199.db2.gz AXPQFUIMNSBWCN-GWCFXTLKSA-N 1 0 249.358 1.649 20 10 BDCDRO COC(=O)N1CC(C)([NH2+]Cc2ccc(N)cc2)C1 ZINC001578823378 985396364 /nfs/dbraw/zinc/39/63/64/985396364.db2.gz ZWNUEROIKVKBSM-UHFFFAOYSA-N 1 0 249.314 1.199 20 10 BDCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC001327979783 986420072 /nfs/dbraw/zinc/42/00/72/986420072.db2.gz XMCSHSNTDMJVAT-QWHCGFSZSA-N 1 0 246.354 1.922 20 10 BDCDRO Oc1cccc2c1C[N@@H+]([C@@H]1CCCOC1)CC2 ZINC001254386486 986609449 /nfs/dbraw/zinc/60/94/49/986609449.db2.gz RMGYTSSBYKATHA-GFCCVEGCSA-N 1 0 233.311 1.929 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246277117 987670023 /nfs/dbraw/zinc/67/00/23/987670023.db2.gz GXLFZOGVAJBGKT-GXSJLCMTSA-N 1 0 236.315 1.328 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cccnc2N)c1 ZINC001474635419 987786622 /nfs/dbraw/zinc/78/66/22/987786622.db2.gz WPJOPIYNOCQXDJ-UHFFFAOYSA-N 1 0 243.310 1.968 20 10 BDCDRO CC[NH2+]CCNCc1ccc(N2CCCC2)cc1 ZINC001117953478 987967904 /nfs/dbraw/zinc/96/79/04/987967904.db2.gz IBYIFCIEHMJNDA-UHFFFAOYSA-N 1 0 247.386 1.986 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]12CCOC2 ZINC001117994124 987977419 /nfs/dbraw/zinc/97/74/19/987977419.db2.gz KBQRABXPQAHIQR-AWEZNQCLSA-N 1 0 249.310 1.766 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@]12CCOC2 ZINC001118055196 987995963 /nfs/dbraw/zinc/99/59/63/987995963.db2.gz IOUBWKNEIBSWFU-CYBMUJFWSA-N 1 0 237.274 1.896 20 10 BDCDRO C[C@@H]1CC[C@H](N(C)Cc2ccccc2O)C[NH2+]1 ZINC001246858808 988587579 /nfs/dbraw/zinc/58/75/79/988587579.db2.gz BWWFLEYWTIASJP-YPMHNXCESA-N 1 0 234.343 1.965 20 10 BDCDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(N)cc1 ZINC001515331023 989025237 /nfs/dbraw/zinc/02/52/37/989025237.db2.gz CTKGKQKEYBJHQA-LBPRGKRZSA-N 1 0 247.342 1.273 20 10 BDCDRO Nc1ccc(CN[C@@H](CC[NH3+])C(F)(F)F)cc1 ZINC001120269588 989624527 /nfs/dbraw/zinc/62/45/27/989624527.db2.gz UVHNFVYZINEDCA-JTQLQIEISA-N 1 0 247.264 1.638 20 10 BDCDRO COCC(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001120371112 989642185 /nfs/dbraw/zinc/64/21/85/989642185.db2.gz QYSATPLRWIRUHT-UHFFFAOYSA-N 1 0 208.305 1.783 20 10 BDCDRO C[NH2+]C1(C(=O)N[C@H](C)c2ccccc2O)CCC1 ZINC001122192400 990287287 /nfs/dbraw/zinc/28/72/87/990287287.db2.gz SUKXIRYJOVNSQN-SNVBAGLBSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1c(O)cccc1F ZINC001122258238 990310062 /nfs/dbraw/zinc/31/00/62/990310062.db2.gz OZAGIZHANFCYEW-JGVFFNPUSA-N 1 0 240.278 1.131 20 10 BDCDRO COC(=O)CC[C@H](C)[NH2+]Cc1ccccc1O ZINC001258348273 991279800 /nfs/dbraw/zinc/27/98/00/991279800.db2.gz KFWGBSHLSWNCAV-JTQLQIEISA-N 1 0 237.299 1.824 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC001140057114 991509560 /nfs/dbraw/zinc/50/95/60/991509560.db2.gz COQMLGAJUCUYFQ-RNCFNFMXSA-N 1 0 239.290 1.734 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001140058793 991509944 /nfs/dbraw/zinc/50/99/44/991509944.db2.gz LUOLRSBJGGJMOJ-TVQRCGJNSA-N 1 0 237.274 1.752 20 10 BDCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055440 991510136 /nfs/dbraw/zinc/51/01/36/991510136.db2.gz YOSGWOWLGOQEBC-BXKDBHETSA-N 1 0 239.290 1.877 20 10 BDCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC001140178834 991548478 /nfs/dbraw/zinc/54/84/78/991548478.db2.gz ZIASHKQRANJSGI-NEPJUHHUSA-N 1 0 235.327 1.964 20 10 BDCDRO CN(Cc1ccc(N2CCCC2)cc1)C1C[NH2+]C1 ZINC001261482901 992333458 /nfs/dbraw/zinc/33/34/58/992333458.db2.gz CJJLYMBTYQPSMX-UHFFFAOYSA-N 1 0 245.370 1.690 20 10 BDCDRO CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001263304257 993213598 /nfs/dbraw/zinc/21/35/98/993213598.db2.gz XAGBREMBPZHWMH-ZDUSSCGKSA-N 1 0 249.358 1.649 20 10 BDCDRO Nc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(CO)C2)cc1 ZINC001334775339 994634406 /nfs/dbraw/zinc/63/44/06/994634406.db2.gz WVGDREFMIFWKOQ-DZGCQCFKSA-N 1 0 246.354 1.863 20 10 BDCDRO CC(C)[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297527036 398205664 /nfs/dbraw/zinc/20/56/64/398205664.db2.gz DJYNSFJEIMFFDT-VXGBXAGGSA-N 1 0 235.327 1.986 20 10 BDCDRO CCC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000295021950 398264518 /nfs/dbraw/zinc/26/45/18/398264518.db2.gz UXQOXDYBDXZFBN-GFCCVEGCSA-N 1 0 223.316 1.985 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019904330 342962551 /nfs/dbraw/zinc/96/25/51/342962551.db2.gz UKOMEWOGZKCURW-NSHDSACASA-N 1 0 222.332 1.877 20 10 BDCDRO C[C@@H](C[NH2+]Cc1ccccc1O)N(C)C ZINC000038088756 343060560 /nfs/dbraw/zinc/06/05/60/343060560.db2.gz IMETWNOLLUKPIG-JTQLQIEISA-N 1 0 208.305 1.432 20 10 BDCDRO CC[C@@H]([NH2+]C[C@H](C)O)c1ccccc1O ZINC000035601762 343298946 /nfs/dbraw/zinc/29/89/46/343298946.db2.gz GLPQHFJETHNBNS-GXSJLCMTSA-N 1 0 209.289 1.814 20 10 BDCDRO COc1ccc(C[NH2+]CCn2ccnc2)cc1C ZINC000041064151 343414874 /nfs/dbraw/zinc/41/48/74/343414874.db2.gz WPYSNMMABUDOAE-UHFFFAOYSA-N 1 0 245.326 1.990 20 10 BDCDRO Cc1cccc(C[N@@H+](C)CC(C)(C)O)c1O ZINC000271875392 179064038 /nfs/dbraw/zinc/06/40/38/179064038.db2.gz SZBCRUCVDNVFHD-UHFFFAOYSA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1O ZINC000128232981 179100295 /nfs/dbraw/zinc/10/02/95/179100295.db2.gz XMQCEBJYXGJSSU-NEPJUHHUSA-N 1 0 235.327 1.950 20 10 BDCDRO COc1ccccc1N(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637931444 351807723 /nfs/dbraw/zinc/80/77/23/351807723.db2.gz LPRCFAWPIWDLIR-LLVKDONJSA-N 1 0 246.310 1.706 20 10 BDCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000280572524 351851455 /nfs/dbraw/zinc/85/14/55/351851455.db2.gz VZJZGNHNGSFBGZ-GFCCVEGCSA-N 1 0 239.290 1.734 20 10 BDCDRO CC(C)(C)[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000262585254 188020772 /nfs/dbraw/zinc/02/07/72/188020772.db2.gz UIPPOGFEMNFZMF-GFCCVEGCSA-N 1 0 249.358 1.301 20 10 BDCDRO OCC[N@H+](Cc1cc(F)ccc1O)C1CCC1 ZINC000276117603 183068481 /nfs/dbraw/zinc/06/84/81/183068481.db2.gz XXRFNSBLIUWWDI-UHFFFAOYSA-N 1 0 239.290 1.878 20 10 BDCDRO OC[C@@H]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000295128633 183126742 /nfs/dbraw/zinc/12/67/42/183126742.db2.gz XSMKMZBQAKVDNZ-OCCSQVGLSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](O)C1 ZINC000179871549 183274424 /nfs/dbraw/zinc/27/44/24/183274424.db2.gz JKORSLQFZOMKQX-LLVKDONJSA-N 1 0 225.263 1.488 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294915256 183293019 /nfs/dbraw/zinc/29/30/19/183293019.db2.gz SQSKGLOHNIBGBS-OCAPTIKFSA-N 1 0 227.691 1.659 20 10 BDCDRO Oc1ccccc1C[NH2+]C1CCOCC1 ZINC000036319253 183302029 /nfs/dbraw/zinc/30/20/29/183302029.db2.gz FDLHYRQLUWTWKI-UHFFFAOYSA-N 1 0 207.273 1.661 20 10 BDCDRO Oc1ccccc1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000221427770 183302168 /nfs/dbraw/zinc/30/21/68/183302168.db2.gz PTCPJIJVOXCWTL-WCQYABFASA-N 1 0 232.327 1.576 20 10 BDCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](C)O ZINC000194949261 169179630 /nfs/dbraw/zinc/17/96/30/169179630.db2.gz DGHLEDRPVCJGIE-LLVKDONJSA-N 1 0 223.316 1.985 20 10 BDCDRO c1cc(C[NH2+]C[C@@H]2CCOC2)cc2c1OCC2 ZINC000037739026 183367422 /nfs/dbraw/zinc/36/74/22/183367422.db2.gz IXAHFTDHBWXIHP-LBPRGKRZSA-N 1 0 233.311 1.748 20 10 BDCDRO CCC[NH2+][C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000294882800 169285323 /nfs/dbraw/zinc/28/53/23/169285323.db2.gz XPTICJHWPMVMCR-SECBINFHSA-N 1 0 221.304 1.595 20 10 BDCDRO Cn1cc(C[N@H+](C)Cc2ccccc2O)cn1 ZINC000111235163 383842767 /nfs/dbraw/zinc/84/27/67/383842767.db2.gz DFQOQQMVQOVKRU-UHFFFAOYSA-N 1 0 231.299 1.758 20 10 BDCDRO CCOc1cccc(C[NH2+]C[C@@H](C)CO)c1O ZINC000112017455 383889791 /nfs/dbraw/zinc/88/97/91/383889791.db2.gz YOOKFZVFJVTBEO-SNVBAGLBSA-N 1 0 239.315 1.509 20 10 BDCDRO C[C@@H]([NH2+]CCS(C)(=O)=O)c1ccccc1O ZINC000037740564 384005541 /nfs/dbraw/zinc/00/55/41/384005541.db2.gz XDTUPCLSHKKSKQ-SECBINFHSA-N 1 0 243.328 1.087 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)CO)c1 ZINC000078638541 384075365 /nfs/dbraw/zinc/07/53/65/384075365.db2.gz QRLDDCYCCLVGLD-SNVBAGLBSA-N 1 0 209.289 1.419 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070954771 384143270 /nfs/dbraw/zinc/14/32/70/384143270.db2.gz CWBMBRFQIDVQET-SNVBAGLBSA-N 1 0 209.289 1.825 20 10 BDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCOC1 ZINC000132771909 384204737 /nfs/dbraw/zinc/20/47/37/384204737.db2.gz DDXWSEYTYWAFIY-LLVKDONJSA-N 1 0 207.273 1.613 20 10 BDCDRO C[N@H+](CC[C@@H]1CCOC1=O)Cc1ccccc1O ZINC000120532694 384357179 /nfs/dbraw/zinc/35/71/79/384357179.db2.gz YEHMZRZVOOADNG-LLVKDONJSA-N 1 0 249.310 1.777 20 10 BDCDRO CC[C@](C)(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077111492 384396176 /nfs/dbraw/zinc/39/61/76/384396176.db2.gz DQZSJQORAWIMDK-CQSZACIVSA-N 1 0 235.327 1.872 20 10 BDCDRO C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000120821079 384384157 /nfs/dbraw/zinc/38/41/57/384384157.db2.gz GJLMVLIBOKYEQM-GXFFZTMASA-N 1 0 233.311 1.889 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000020195362 384593847 /nfs/dbraw/zinc/59/38/47/384593847.db2.gz YGMAKENSWRMOLK-JTQLQIEISA-N 1 0 229.707 1.906 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c1 ZINC000128112513 384996817 /nfs/dbraw/zinc/99/68/17/384996817.db2.gz FVGLOUWQJLPNTB-OLZOCXBDSA-N 1 0 235.327 1.950 20 10 BDCDRO CCOc1ccc(O)c(C[N@H+](C)CCO)c1 ZINC000127929145 384964551 /nfs/dbraw/zinc/96/45/51/384964551.db2.gz NZVMTTYIRKWYNK-UHFFFAOYSA-N 1 0 225.288 1.215 20 10 BDCDRO COC(=O)C1(C[NH2+]Cc2cc(C)ccc2O)CC1 ZINC000188691773 385079497 /nfs/dbraw/zinc/07/94/97/385079497.db2.gz PUUWMCQURDMASL-UHFFFAOYSA-N 1 0 249.310 1.743 20 10 BDCDRO CC[C@@H](COC)[NH2+]Cc1cc(OC)ccc1O ZINC000079732922 385035142 /nfs/dbraw/zinc/03/51/42/385035142.db2.gz PFPUQDSLZDIWCX-NSHDSACASA-N 1 0 239.315 1.915 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000364475683 385466097 /nfs/dbraw/zinc/46/60/97/385466097.db2.gz BZHWCHCRMUVELR-LBPRGKRZSA-N 1 0 233.315 1.740 20 10 BDCDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179555447 385474397 /nfs/dbraw/zinc/47/43/97/385474397.db2.gz WEYDOZLTJBTVCL-LLVKDONJSA-N 1 0 235.283 1.530 20 10 BDCDRO CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000179582459 385475592 /nfs/dbraw/zinc/47/55/92/385475592.db2.gz KRJZDHBXPKSMSC-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000157364185 385498841 /nfs/dbraw/zinc/49/88/41/385498841.db2.gz QXSRCUCOMYOENR-VIFPVBQESA-N 1 0 248.326 1.234 20 10 BDCDRO Nc1ccc(NC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000294773252 385893260 /nfs/dbraw/zinc/89/32/60/385893260.db2.gz MYFHCZINZOGIBC-QMTHXVAHSA-N 1 0 245.326 1.597 20 10 BDCDRO Nc1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000294871511 385907088 /nfs/dbraw/zinc/90/70/88/385907088.db2.gz WTCIISJQPWCNQW-JOYOIKCWSA-N 1 0 233.315 1.725 20 10 BDCDRO C[N@H+](CCc1cnccn1)Cc1ccccc1O ZINC000273818383 386040504 /nfs/dbraw/zinc/04/05/04/386040504.db2.gz ZZSRZBPLGULIKF-UHFFFAOYSA-N 1 0 243.310 1.857 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)CO)c1 ZINC000289517181 386320036 /nfs/dbraw/zinc/32/00/36/386320036.db2.gz VCTYDJQENQJXAZ-JTQLQIEISA-N 1 0 209.289 1.513 20 10 BDCDRO COC[C@H](O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226618241 386344175 /nfs/dbraw/zinc/34/41/75/386344175.db2.gz UMQYVAZUSLPPNA-LLVKDONJSA-N 1 0 243.278 1.018 20 10 BDCDRO C[C@H](C[NH2+]Cc1cc(F)ccc1O)N(C)C ZINC000226619576 386347339 /nfs/dbraw/zinc/34/73/39/386347339.db2.gz DJMXUNIXBOLXHS-SECBINFHSA-N 1 0 226.295 1.571 20 10 BDCDRO COC[C@@H](C[NH2+]Cc1cccc(C)c1O)OC ZINC000227717477 386506773 /nfs/dbraw/zinc/50/67/73/386506773.db2.gz YRIDWAUUYZRFNY-GFCCVEGCSA-N 1 0 239.315 1.452 20 10 BDCDRO Cc1cc(C[N@@H+](C)C[C@@H](C)O)ccc1N(C)C ZINC000293472032 386664186 /nfs/dbraw/zinc/66/41/86/386664186.db2.gz FAIFZEJACFJQOK-GFCCVEGCSA-N 1 0 236.359 1.874 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@H](O)C(F)F ZINC000295127624 386692779 /nfs/dbraw/zinc/69/27/79/386692779.db2.gz XOJSIWYRSIWTRQ-ONGXEEELSA-N 1 0 245.269 1.886 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C(C)(C)C2)cc1 ZINC000279961766 386758991 /nfs/dbraw/zinc/75/89/91/386758991.db2.gz YJFPGJDNGOMTBR-CQSZACIVSA-N 1 0 248.370 1.955 20 10 BDCDRO Cn1ncc(CCC[NH2+]Cc2ccccc2O)n1 ZINC000293007488 386763951 /nfs/dbraw/zinc/76/39/51/386763951.db2.gz PJMARRBHQJFVKL-UHFFFAOYSA-N 1 0 246.314 1.243 20 10 BDCDRO CO[C@@H](C)C[NH2+]Cc1cccc(C)c1O ZINC000191203655 386773923 /nfs/dbraw/zinc/77/39/23/386773923.db2.gz KNUMPAKDOWJTCS-JTQLQIEISA-N 1 0 209.289 1.825 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1 ZINC000372653893 387319178 /nfs/dbraw/zinc/31/91/78/387319178.db2.gz ZBMKFUGLBDBWAY-RYUDHWBXSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000264977736 387357023 /nfs/dbraw/zinc/35/70/23/387357023.db2.gz SWVHMRQKIXUGLI-LLVKDONJSA-N 1 0 234.299 1.021 20 10 BDCDRO COC[C@H](CCO)[NH2+]Cc1cc(C)ccc1O ZINC000219128096 387891886 /nfs/dbraw/zinc/89/18/86/387891886.db2.gz IIUGZHSGRNGFHP-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1ccccc1O ZINC000164254094 388183494 /nfs/dbraw/zinc/18/34/94/388183494.db2.gz KGQWHRSITWNHOZ-PSLIRLAXSA-N 1 0 227.329 1.249 20 10 BDCDRO CC[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297357655 388428403 /nfs/dbraw/zinc/42/84/03/388428403.db2.gz PQBATQJHLFZQES-QWRGUYRKSA-N 1 0 221.300 1.740 20 10 BDCDRO C[C@@](O)(C[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000270483084 389012956 /nfs/dbraw/zinc/01/29/56/389012956.db2.gz JSLHQUMCOXJQTH-SNVBAGLBSA-N 1 0 249.232 1.795 20 10 BDCDRO Cc1n[nH]c(CC[NH2+][C@H](C)c2ccccc2O)n1 ZINC000272872764 389035396 /nfs/dbraw/zinc/03/53/96/389035396.db2.gz PDAYLXFRXONCDA-SECBINFHSA-N 1 0 246.314 1.712 20 10 BDCDRO CCC[C@@](C)([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000262568222 135306408 /nfs/dbraw/zinc/30/64/08/135306408.db2.gz AKRXHGNAMVFCBI-CQSZACIVSA-N 1 0 249.358 1.445 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@]1(O)CCOC1)CC2 ZINC000297092004 135380096 /nfs/dbraw/zinc/38/00/96/135380096.db2.gz XHHOBYKQPULUJF-RISCZKNCSA-N 1 0 249.310 1.121 20 10 BDCDRO CC1(C)[C@H]([NH2+]Cc2ccccc2O)C[C@@H]1O ZINC000163421273 168002280 /nfs/dbraw/zinc/00/22/80/168002280.db2.gz KOGUUWCKIQKSKL-NEPJUHHUSA-N 1 0 221.300 1.641 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000127869272 170088052 /nfs/dbraw/zinc/08/80/52/170088052.db2.gz QHKIFUIRJYYHID-SNVBAGLBSA-N 1 0 236.315 1.315 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000083345885 170840597 /nfs/dbraw/zinc/84/05/97/170840597.db2.gz UYJRLGQFXMVXBF-NSHDSACASA-N 1 0 209.289 1.561 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1O ZINC000271407560 171087670 /nfs/dbraw/zinc/08/76/70/171087670.db2.gz WZSGUNHIKIWNIY-RISCZKNCSA-N 1 0 235.327 1.903 20 10 BDCDRO CC[C@@](C)(CO)[NH2+]Cc1ccccc1O ZINC000070898405 171171067 /nfs/dbraw/zinc/17/10/67/171171067.db2.gz GXOBERAGZZVZAW-LBPRGKRZSA-N 1 0 209.289 1.643 20 10 BDCDRO CN(C)C(=O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037751397 172360592 /nfs/dbraw/zinc/36/05/92/172360592.db2.gz MKMNWYBDLDQKAY-UHFFFAOYSA-N 1 0 249.358 1.321 20 10 BDCDRO CN(C)C(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083551481 172370096 /nfs/dbraw/zinc/37/00/96/172370096.db2.gz TZLAPDIPSIBHOV-UHFFFAOYSA-N 1 0 242.706 1.223 20 10 BDCDRO CNC(=O)C1CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000036127514 173224963 /nfs/dbraw/zinc/22/49/63/173224963.db2.gz LSMHWRKUIBGYBU-UHFFFAOYSA-N 1 0 247.342 1.227 20 10 BDCDRO COC[C@H](CO)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000234837642 174571599 /nfs/dbraw/zinc/57/15/99/174571599.db2.gz PPNDVANZNWUBSY-MNOVXSKESA-N 1 0 239.315 1.359 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1C ZINC000050395299 175112481 /nfs/dbraw/zinc/11/24/81/175112481.db2.gz HUOOJYOIJNFDCQ-LBPRGKRZSA-N 1 0 248.326 1.372 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)CO)c1 ZINC000083215477 175158659 /nfs/dbraw/zinc/15/86/59/175158659.db2.gz LAIUGMKDMMIOLV-SECBINFHSA-N 1 0 225.288 1.119 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1O ZINC000375285416 175261162 /nfs/dbraw/zinc/26/11/62/175261162.db2.gz BLMQQWHMYBISHC-GFCCVEGCSA-N 1 0 249.310 1.358 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)c2cn[nH]c2)c1O ZINC000229884881 175266606 /nfs/dbraw/zinc/26/66/06/175266606.db2.gz ARZDLLFGEDVPAO-VIFPVBQESA-N 1 0 247.298 1.975 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)CF)c1O ZINC000288453170 175267983 /nfs/dbraw/zinc/26/79/83/175267983.db2.gz NEIJHCZCFNQQMJ-MRVPVSSYSA-N 1 0 213.252 1.848 20 10 BDCDRO CC(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC000084857710 519587864 /nfs/dbraw/zinc/58/78/64/519587864.db2.gz GSICHAZTBDNJIK-UHFFFAOYSA-N 1 0 234.299 1.056 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1c(O)cccc1OC ZINC000853248714 588728960 /nfs/dbraw/zinc/72/89/60/588728960.db2.gz IVWYSDLXQDSXSR-SECBINFHSA-N 1 0 224.304 1.098 20 10 BDCDRO C[NH2+]C[C@@H](C)NC/C=C/c1ccc(N(C)C)cc1 ZINC000853248713 588729158 /nfs/dbraw/zinc/72/91/58/588729158.db2.gz IUIPPLPXHQUSHD-URWSZGRFSA-N 1 0 247.386 1.963 20 10 BDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@H]3C[C@H]3C1)OCO2 ZINC000853581668 588749888 /nfs/dbraw/zinc/74/98/88/588749888.db2.gz WXJYUGCPYSAQGL-UWVGGRQHSA-N 1 0 247.294 1.963 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000854233096 588781601 /nfs/dbraw/zinc/78/16/01/588781601.db2.gz XMEXQAOZVZJPAM-QWRGUYRKSA-N 1 0 222.332 1.959 20 10 BDCDRO C[C@@H](C[NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892046148 582771434 /nfs/dbraw/zinc/77/14/34/582771434.db2.gz ZKUXFSXPNNTORT-VIFPVBQESA-N 1 0 249.314 1.012 20 10 BDCDRO C[C@@H](NC(=O)N1Cc2cccc(O)c2C1)[C@H](C)[NH3+] ZINC000892145397 582800319 /nfs/dbraw/zinc/80/03/19/582800319.db2.gz YXBZDUWSYAMYDW-DTWKUNHWSA-N 1 0 249.314 1.153 20 10 BDCDRO C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1O ZINC000725849392 582907184 /nfs/dbraw/zinc/90/71/84/582907184.db2.gz MBWOSTABWQCDOP-NSHDSACASA-N 1 0 243.310 1.903 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1CO ZINC000857061320 588884920 /nfs/dbraw/zinc/88/49/20/588884920.db2.gz OIGGLOUYIHGJDY-WCQYABFASA-N 1 0 235.327 1.843 20 10 BDCDRO CCOCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894385996 583443694 /nfs/dbraw/zinc/44/36/94/583443694.db2.gz SUUOHAXSXYJHGD-UHFFFAOYSA-N 1 0 239.315 1.835 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC2(C)C)c1 ZINC000895316546 583648629 /nfs/dbraw/zinc/64/86/29/583648629.db2.gz PIQYRIQWRUXPJT-LBPRGKRZSA-N 1 0 248.326 1.315 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCc2n[nH]cc2C1 ZINC000857876313 588919074 /nfs/dbraw/zinc/91/90/74/588919074.db2.gz CFNDODZHVLUDFD-UHFFFAOYSA-N 1 0 229.283 1.674 20 10 BDCDRO COc1cc(C)cc(C[NH2+]Cc2ncc[nH]2)c1O ZINC000895423046 583673505 /nfs/dbraw/zinc/67/35/05/583673505.db2.gz WEICUHHUUAEUEK-UHFFFAOYSA-N 1 0 247.298 1.722 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1C ZINC000895645857 583701104 /nfs/dbraw/zinc/70/11/04/583701104.db2.gz DOCUOQJXOFUNGA-TZMCWYRMSA-N 1 0 233.311 1.576 20 10 BDCDRO COC(OC)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000895789312 583727876 /nfs/dbraw/zinc/72/78/76/583727876.db2.gz JKCFTOYSGNIHJE-SNVBAGLBSA-N 1 0 239.315 1.798 20 10 BDCDRO Cc1cc(O)c(C[NH2+]Cc2cnn[nH]2)cc1C ZINC000858197418 588938505 /nfs/dbraw/zinc/93/85/05/588938505.db2.gz DKKATCTVXCFSRS-UHFFFAOYSA-N 1 0 232.287 1.417 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC000897675612 584035625 /nfs/dbraw/zinc/03/56/25/584035625.db2.gz AUWIAENZJMZSSZ-GXFFZTMASA-N 1 0 221.300 1.513 20 10 BDCDRO CN(C)c1ccc(CNC[C@@H]([NH3+])C2CC2)cc1 ZINC000841049572 584124230 /nfs/dbraw/zinc/12/42/30/584124230.db2.gz LIJNFGOMCYIUEA-CQSZACIVSA-N 1 0 233.359 1.580 20 10 BDCDRO C[C@@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC000902472159 584600947 /nfs/dbraw/zinc/60/09/47/584600947.db2.gz YEGRXDCRTNPZJX-LYIQGSDWSA-N 1 0 232.327 1.936 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000841076142 584740730 /nfs/dbraw/zinc/74/07/30/584740730.db2.gz ASDWYSWNJYHMOZ-SFYZADRCSA-N 1 0 212.268 1.357 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000841076701 584752978 /nfs/dbraw/zinc/75/29/78/584752978.db2.gz MMLVXRQAVZPNQX-NXEZZACHSA-N 1 0 239.338 1.717 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1cccc(F)c1O ZINC000903964424 584834239 /nfs/dbraw/zinc/83/42/39/584834239.db2.gz QKSSFESHLCWVLA-LDYMZIIASA-N 1 0 224.279 1.229 20 10 BDCDRO Cc1cccc(CN2C[C@@H]([NH3+])C(C)(C)C2)c1O ZINC000903986652 584835611 /nfs/dbraw/zinc/83/56/11/584835611.db2.gz OTFUVSJYCKWVSH-GFCCVEGCSA-N 1 0 234.343 1.870 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2CNOC2)cc1 ZINC000904423843 584880140 /nfs/dbraw/zinc/88/01/40/584880140.db2.gz JJSFFMXYNNPPFQ-OOPCZODUSA-N 1 0 247.342 1.259 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2CNOC2)c(Cl)c1 ZINC000904424463 584881206 /nfs/dbraw/zinc/88/12/06/584881206.db2.gz SYULZYMQWNQUES-QMMMGPOBSA-N 1 0 242.706 1.347 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876749412 584887004 /nfs/dbraw/zinc/88/70/04/584887004.db2.gz KAHQHSDLIWFDMU-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)CC2CC2)c1 ZINC000754835956 585291549 /nfs/dbraw/zinc/29/15/49/585291549.db2.gz YGJLBEFMQQXVEP-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO COCC[N@H+](C)Cc1c(O)cccc1OC ZINC000768241225 585534281 /nfs/dbraw/zinc/53/42/81/585534281.db2.gz PFLOEQUYWNKILF-UHFFFAOYSA-N 1 0 225.288 1.479 20 10 BDCDRO Oc1cc2c(cc1C[NH+]1CCCC1)[C@H](O)CO2 ZINC000768437775 585538402 /nfs/dbraw/zinc/53/84/02/585538402.db2.gz GNZPHTSQAHFVRJ-GFCCVEGCSA-N 1 0 235.283 1.414 20 10 BDCDRO COc1cccc(O)c1C[N@H+]1CC[C@@H](OC)C1 ZINC000769447855 585556761 /nfs/dbraw/zinc/55/67/61/585556761.db2.gz YYGNHYLFMHKRPH-SNVBAGLBSA-N 1 0 237.299 1.622 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)CC[C@@H](C)O ZINC000769450858 585557235 /nfs/dbraw/zinc/55/72/35/585557235.db2.gz IDSNAQBHRRIXIT-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO CCOC(=O)C1(C[NH2+]Cc2ccccc2O)CC1 ZINC000770665944 585579257 /nfs/dbraw/zinc/57/92/57/585579257.db2.gz QHLJBSWCLIXLTC-UHFFFAOYSA-N 1 0 249.310 1.825 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1 ZINC000783740115 585841475 /nfs/dbraw/zinc/84/14/75/585841475.db2.gz JDLWQTDMQBYNBL-HIFRSBDPSA-N 1 0 246.354 1.567 20 10 BDCDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000788270029 585920191 /nfs/dbraw/zinc/92/01/91/585920191.db2.gz OIUGDDMGNQZWJU-KWQFWETISA-N 1 0 225.263 1.486 20 10 BDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1O ZINC000788268585 585920314 /nfs/dbraw/zinc/92/03/14/585920314.db2.gz GKHCDJNANZDBNI-MWLCHTKSSA-N 1 0 207.273 1.347 20 10 BDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000788270030 585920349 /nfs/dbraw/zinc/92/03/49/585920349.db2.gz OIUGDDMGNQZWJU-LDYMZIIASA-N 1 0 225.263 1.486 20 10 BDCDRO COC[C@@H](O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000801732994 586270290 /nfs/dbraw/zinc/27/02/90/586270290.db2.gz IJZAXUUIVKMGOY-LBPRGKRZSA-N 1 0 239.315 1.106 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](F)(CO)C2)c1 ZINC000802661121 586308709 /nfs/dbraw/zinc/30/87/09/586308709.db2.gz IZJRZYFEFXAIII-ZDUSSCGKSA-N 1 0 239.290 1.607 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](F)(CO)C2)c1 ZINC000802661120 586309123 /nfs/dbraw/zinc/30/91/23/586309123.db2.gz IZJRZYFEFXAIII-CYBMUJFWSA-N 1 0 239.290 1.607 20 10 BDCDRO C[C@H](CO)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000809746295 586517295 /nfs/dbraw/zinc/51/72/95/586517295.db2.gz SPONGWQQSFEFGS-MRVPVSSYSA-N 1 0 229.707 1.858 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000816647978 586750458 /nfs/dbraw/zinc/75/04/58/586750458.db2.gz BNZVJOYIFQIKHK-IUCAKERBSA-N 1 0 235.283 1.961 20 10 BDCDRO COc1cccc(O)c1C[NH+]1CC2(C1)CCOC2 ZINC000816672147 586753846 /nfs/dbraw/zinc/75/38/46/586753846.db2.gz RCIFTLPWBDAUQP-UHFFFAOYSA-N 1 0 249.310 1.623 20 10 BDCDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1O ZINC000817951622 586847655 /nfs/dbraw/zinc/84/76/55/586847655.db2.gz HOSVXMSNMAKAKG-ONGXEEELSA-N 1 0 238.306 1.934 20 10 BDCDRO C[NH2+]CCN[C@@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817952585 586847913 /nfs/dbraw/zinc/84/79/13/586847913.db2.gz RULDXIWTMGXGDA-PSASIEDQSA-N 1 0 238.306 1.889 20 10 BDCDRO C[NH2+]CCN[C@@H](C)c1c(C)cc(C)cc1O ZINC000817951891 586847932 /nfs/dbraw/zinc/84/79/32/586847932.db2.gz KWIZQGOYILCVAH-NSHDSACASA-N 1 0 222.332 1.879 20 10 BDCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ccn(C)n1 ZINC000817957992 586850690 /nfs/dbraw/zinc/85/06/90/586850690.db2.gz RUWXARZIQYCORF-NSHDSACASA-N 1 0 244.342 1.896 20 10 BDCDRO C[C@@H]1CCNC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957613 586850823 /nfs/dbraw/zinc/85/08/23/586850823.db2.gz NGHUBLSRBYLLIF-BXUZGUMPSA-N 1 0 233.359 1.399 20 10 BDCDRO CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556489 586900691 /nfs/dbraw/zinc/90/06/91/586900691.db2.gz VGCAZAAFDWBBAC-SNVBAGLBSA-N 1 0 219.288 1.205 20 10 BDCDRO Cc1cc(O)c(C[N@H+]2CC[C@@H](O)[C@H]2C)cc1C ZINC000825104451 587305105 /nfs/dbraw/zinc/30/51/05/587305105.db2.gz XGNUUKYSNOZOOZ-DGCLKSJQSA-N 1 0 235.327 1.964 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccccc2O)C1 ZINC000825311062 587314123 /nfs/dbraw/zinc/31/41/23/587314123.db2.gz GARUUWNZYZCRQG-PWSUYJOCSA-N 1 0 221.300 1.595 20 10 BDCDRO O=C(C[NH+]1CCCC1)N1Cc2cccc(O)c2C1 ZINC000825356297 587316577 /nfs/dbraw/zinc/31/65/77/587316577.db2.gz PUMAUXYTQHWFHG-UHFFFAOYSA-N 1 0 246.310 1.330 20 10 BDCDRO Cc1cccc(C[NH2+]C2([C@H](C)O)CC2)c1O ZINC000827585746 587390188 /nfs/dbraw/zinc/39/01/88/587390188.db2.gz PIWFACRTXZLLHW-JTQLQIEISA-N 1 0 221.300 1.704 20 10 BDCDRO Oc1ccc(F)cc1CN1CCc2nn[nH]c2C1 ZINC000827884625 587407753 /nfs/dbraw/zinc/40/77/53/587407753.db2.gz DWFSZKZYNDCEHX-UHFFFAOYSA-N 1 0 248.261 1.208 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1ccccc1O ZINC000827964032 587413665 /nfs/dbraw/zinc/41/36/65/587413665.db2.gz GFXAVRVJWSYUBU-WDEREUQCSA-N 1 0 248.326 1.521 20 10 BDCDRO C[NH+](C)C1(C(=O)NCc2ccccc2O)CC1 ZINC000830526578 587556086 /nfs/dbraw/zinc/55/60/86/587556086.db2.gz OJOXNFNZIQOHFV-UHFFFAOYSA-N 1 0 234.299 1.103 20 10 BDCDRO C[C@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1O ZINC000834907734 587770365 /nfs/dbraw/zinc/77/03/65/587770365.db2.gz AZZKJIDDABMXSU-HZMBPMFUSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccccc1O ZINC000834913064 587770664 /nfs/dbraw/zinc/77/06/64/587770664.db2.gz GJRWTRFGDASHGU-IRUJWGPZSA-N 1 0 221.300 1.956 20 10 BDCDRO CC[NH2+]CCNCc1cccc(OC)c1O ZINC000841036324 587937815 /nfs/dbraw/zinc/93/78/15/587937815.db2.gz LFPRANYAVYHXEP-UHFFFAOYSA-N 1 0 224.304 1.100 20 10 BDCDRO CCOC[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841036576 587938076 /nfs/dbraw/zinc/93/80/76/587938076.db2.gz WFSJZKPUUKWKBA-NSHDSACASA-N 1 0 222.332 1.826 20 10 BDCDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841040915 587938469 /nfs/dbraw/zinc/93/84/69/587938469.db2.gz COBYQWHBZIHSHT-KYOSRNDESA-N 1 0 247.386 1.998 20 10 BDCDRO COc1cccc(O)c1CN[C@@H]1CCC[NH2+]C1 ZINC000841043054 587938859 /nfs/dbraw/zinc/93/88/59/587938859.db2.gz NMWFCPACTATEMC-SNVBAGLBSA-N 1 0 236.315 1.242 20 10 BDCDRO Cc1cc(Cl)cc(CN[C@@H]2CC[NH2+]C2)c1O ZINC000841044683 587938910 /nfs/dbraw/zinc/93/89/10/587938910.db2.gz GATVGFGPIIUMQX-LLVKDONJSA-N 1 0 240.734 1.806 20 10 BDCDRO C[NH2+]CCCNCc1c(O)cccc1Cl ZINC000841043639 587939221 /nfs/dbraw/zinc/93/92/21/587939221.db2.gz ZFWJEPLCCWBYHO-UHFFFAOYSA-N 1 0 228.723 1.745 20 10 BDCDRO CC[C@H]([NH3+])CNCc1ccc(N(C)C)c(F)c1 ZINC000841071350 587942397 /nfs/dbraw/zinc/94/23/97/587942397.db2.gz DQAJPUUGUIWSIY-NSHDSACASA-N 1 0 239.338 1.719 20 10 BDCDRO C[C@]1(C(=O)NCCc2ccc(N)cc2)CCC[NH2+]1 ZINC000841848133 587977430 /nfs/dbraw/zinc/97/74/30/587977430.db2.gz WUOAEMHRKUSISW-CQSZACIVSA-N 1 0 247.342 1.070 20 10 BDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000841846293 587977481 /nfs/dbraw/zinc/97/74/81/587977481.db2.gz OYXOIHZAAPBHGV-BXKDBHETSA-N 1 0 233.315 1.595 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000841891055 587982037 /nfs/dbraw/zinc/98/20/37/587982037.db2.gz HGDYTPDMQDRNII-SWZMTVOYSA-N 1 0 237.299 1.404 20 10 BDCDRO [NH3+]C[C@H]1CCCN1Cc1cccc(F)c1O ZINC000843054572 588076642 /nfs/dbraw/zinc/07/66/42/588076642.db2.gz UFWCIENOEYHMAC-SNVBAGLBSA-N 1 0 224.279 1.454 20 10 BDCDRO C[N@H+](CCC[NH3+])Cc1cc(Cl)cc(F)c1[O-] ZINC000843051321 588077023 /nfs/dbraw/zinc/07/70/23/588077023.db2.gz WOSXXBJPJOXTPC-UHFFFAOYSA-N 1 0 246.713 1.965 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)N1 ZINC000844304950 588183165 /nfs/dbraw/zinc/18/31/65/588183165.db2.gz AXLGQPOHELPFOH-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@H](C)CO)c1O ZINC000846145176 588258355 /nfs/dbraw/zinc/25/83/55/588258355.db2.gz OZECMJFTQYRFQV-RKDXNWHRSA-N 1 0 225.288 1.432 20 10 BDCDRO CCc1cccc(C[N@H+](C)C2CC(O)C2)c1O ZINC000848903543 588418788 /nfs/dbraw/zinc/41/87/88/588418788.db2.gz WAQISUCOHCDRCV-UHFFFAOYSA-N 1 0 235.327 1.910 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N1CCC1 ZINC000849009329 588434375 /nfs/dbraw/zinc/43/43/75/588434375.db2.gz VITNNJJJECLLDL-UHFFFAOYSA-N 1 0 246.358 1.791 20 10 BDCDRO CCNC(=[NH2+])NCc1ccc(N(C)C)cc1C ZINC000849009258 588434385 /nfs/dbraw/zinc/43/43/85/588434385.db2.gz QCPSTVZLESYSKI-UHFFFAOYSA-N 1 0 234.347 1.695 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C/C=C\CO)cc1C ZINC000850357699 588538978 /nfs/dbraw/zinc/53/89/78/588538978.db2.gz RZAAUSJSMOVPFQ-ARJAWSKDSA-N 1 0 221.300 1.647 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000850387951 588543240 /nfs/dbraw/zinc/54/32/40/588543240.db2.gz DOZKJYXMXWRGNY-CHWSQXEVSA-N 1 0 233.311 1.785 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000850581725 588561687 /nfs/dbraw/zinc/56/16/87/588561687.db2.gz YJZIETOCHFVXQO-JKOKRWQUSA-N 1 0 234.343 1.927 20 10 BDCDRO Nc1ccc(NC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852789974 588702603 /nfs/dbraw/zinc/70/26/03/588702603.db2.gz IGPZJTRUIFQUII-UHFFFAOYSA-N 1 0 231.299 1.517 20 10 BDCDRO CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(N)cc1 ZINC000852789773 588702614 /nfs/dbraw/zinc/70/26/14/588702614.db2.gz FPNRUGQHEPBUJH-NSHDSACASA-N 1 0 233.315 1.595 20 10 BDCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1ccccc1 ZINC000852800353 588704207 /nfs/dbraw/zinc/70/42/07/588704207.db2.gz OHTMQGIFRIGBBH-UHFFFAOYSA-N 1 0 230.311 1.959 20 10 BDCDRO CN(CC(C)(C)[NH3+])C(=O)Cc1ccc(N)cc1 ZINC000852842083 588707354 /nfs/dbraw/zinc/70/73/54/588707354.db2.gz PQGZJPGEQXBMHC-UHFFFAOYSA-N 1 0 235.331 1.007 20 10 BDCDRO Cc1noc(C)c1N(C)C(=O)C=C1CC[NH2+]CC1 ZINC000852842544 588707728 /nfs/dbraw/zinc/70/77/28/588707728.db2.gz XTZLXXBNMDVRQC-UHFFFAOYSA-N 1 0 249.314 1.564 20 10 BDCDRO CC(C)(F)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000865654977 589454672 /nfs/dbraw/zinc/45/46/72/589454672.db2.gz XPBPLDAXDFUFAP-UHFFFAOYSA-N 1 0 241.262 1.959 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)C(F)(F)F ZINC000865711766 589457949 /nfs/dbraw/zinc/45/79/49/589457949.db2.gz QIGBYQYMOODXPY-OIBJUYFYSA-N 1 0 249.232 1.794 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H](O)C(F)(F)F ZINC000865711765 589457987 /nfs/dbraw/zinc/45/79/87/589457987.db2.gz QIGBYQYMOODXPY-GMSGAONNSA-N 1 0 249.232 1.794 20 10 BDCDRO CC(C)[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000123279004 589685137 /nfs/dbraw/zinc/68/51/37/589685137.db2.gz UBZYWAQVUCRSIA-CYBMUJFWSA-N 1 0 223.316 1.889 20 10 BDCDRO C[C@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1O ZINC000870988043 589706751 /nfs/dbraw/zinc/70/67/51/589706751.db2.gz DWZMCIIEZVDCSF-VIFPVBQESA-N 1 0 236.315 1.697 20 10 BDCDRO C[C@@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000870988427 589706856 /nfs/dbraw/zinc/70/68/56/589706856.db2.gz PBKVOIUTUIXQBN-IUCAKERBSA-N 1 0 222.288 1.164 20 10 BDCDRO C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccccc1O ZINC000870988564 589706929 /nfs/dbraw/zinc/70/69/29/589706929.db2.gz SNMSONWTUKBZNJ-ZANVPECISA-N 1 0 248.326 1.697 20 10 BDCDRO CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988700 589707848 /nfs/dbraw/zinc/70/78/48/589707848.db2.gz XHBZIQBCUZBUSZ-MWLCHTKSSA-N 1 0 236.315 1.567 20 10 BDCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873217670 589997870 /nfs/dbraw/zinc/99/78/70/589997870.db2.gz OHQKIROVAJYDDK-OKILXGFUSA-N 1 0 245.370 1.689 20 10 BDCDRO CC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000124480090 590023413 /nfs/dbraw/zinc/02/34/13/590023413.db2.gz LHPIIHRKWZXHPJ-AWEZNQCLSA-N 1 0 248.370 1.930 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)cc1 ZINC000876504644 590204244 /nfs/dbraw/zinc/20/42/44/590204244.db2.gz RQQMAAOFEAQYMO-RKDXNWHRSA-N 1 0 241.241 1.047 20 10 BDCDRO CCNC(=O)C[N@H+](C)Cc1ccc(C)cc1O ZINC000876621908 590222955 /nfs/dbraw/zinc/22/29/55/590222955.db2.gz LYVRKHAPWNJAES-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](CCO)CC1CC1 ZINC000876639271 590225099 /nfs/dbraw/zinc/22/50/99/590225099.db2.gz NLIRFMQPFRVNCG-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCOC2)c(O)c1 ZINC000876689979 590231145 /nfs/dbraw/zinc/23/11/45/590231145.db2.gz CZRLMTGEYSEJNF-GFCCVEGCSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC000876692474 590231234 /nfs/dbraw/zinc/23/12/34/590231234.db2.gz UJCVNZBITOJNAY-UHFFFAOYSA-N 1 0 234.299 1.023 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)CC[C@H](C)O ZINC000876745424 590236604 /nfs/dbraw/zinc/23/66/04/590236604.db2.gz HJSJSPZZEVFYLF-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC(=O)NC(C)C ZINC000876881160 590252847 /nfs/dbraw/zinc/25/28/47/590252847.db2.gz CMOSOTOOYZENCV-UHFFFAOYSA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2cc[nH]n2)c(O)c1 ZINC000876914949 590256525 /nfs/dbraw/zinc/25/65/25/590256525.db2.gz JJIKBVLZNPWIGP-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1cc[nH]n1 ZINC000876914970 590256572 /nfs/dbraw/zinc/25/65/72/590256572.db2.gz JPMUODBIHZQFPP-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CCCCNC2=O)c(O)c1 ZINC000876926450 590257791 /nfs/dbraw/zinc/25/77/91/590257791.db2.gz VIEFZVUQHHASES-LBPRGKRZSA-N 1 0 248.326 1.459 20 10 BDCDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000877028020 590271472 /nfs/dbraw/zinc/27/14/72/590271472.db2.gz UXQXPCZKDGKHNR-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877076705 590278596 /nfs/dbraw/zinc/27/85/96/590278596.db2.gz UDDXLQQQDSQLFI-ZWNOBZJWSA-N 1 0 247.342 1.620 20 10 BDCDRO CC(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)[C@@H](C)[NH3+] ZINC000877076072 590278980 /nfs/dbraw/zinc/27/89/80/590278980.db2.gz LUVAQDZZBUPXEE-ZWNOBZJWSA-N 1 0 249.358 1.851 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCc1cnccn1 ZINC000877131303 590290500 /nfs/dbraw/zinc/29/05/00/590290500.db2.gz YMQOZKNTNOFOCB-UHFFFAOYSA-N 1 0 243.310 1.823 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCc1ccnn1C ZINC000877362920 590318786 /nfs/dbraw/zinc/31/87/86/590318786.db2.gz LFXQHHYHVPYXLG-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c(O)c1 ZINC000877430718 590326487 /nfs/dbraw/zinc/32/64/87/590326487.db2.gz POQAZVNFQOALQQ-CHWSQXEVSA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](C)CO ZINC000877526810 590347800 /nfs/dbraw/zinc/34/78/00/590347800.db2.gz LVNQDWKNJBSOKW-SNVBAGLBSA-N 1 0 209.289 1.513 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCc1cn(C)cn1 ZINC000877581951 590365744 /nfs/dbraw/zinc/36/57/44/590365744.db2.gz AZFZNIXOUCMHPJ-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@@](C)(O)C1 ZINC000877593273 590369125 /nfs/dbraw/zinc/36/91/25/590369125.db2.gz RHKUUPYECLYRHO-GSJFWJNXSA-N 1 0 221.300 1.704 20 10 BDCDRO Cc1ccc(C[NH+]2CC(C)(C(N)=O)C2)c(O)c1 ZINC000877603217 590371825 /nfs/dbraw/zinc/37/18/25/590371825.db2.gz HXDPNHHWHDIPMQ-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H](C)CCO ZINC000877614611 590373904 /nfs/dbraw/zinc/37/39/04/590373904.db2.gz FRRYHKXSPRQMCP-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](CO)C2CCC2)c(O)c1 ZINC000877622054 590375480 /nfs/dbraw/zinc/37/54/80/590375480.db2.gz DSDQTLVSRQDOAZ-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO CC1([NH2+]Cc2ccc3c(c2)CCO3)COC1 ZINC000877690575 590392365 /nfs/dbraw/zinc/39/23/65/590392365.db2.gz BCTKDIONAUJFMM-UHFFFAOYSA-N 1 0 219.284 1.500 20 10 BDCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2O)C1 ZINC000127714437 590757736 /nfs/dbraw/zinc/75/77/36/590757736.db2.gz SGBABAVXEMQNQV-JQWIXIFHSA-N 1 0 248.326 1.397 20 10 BDCDRO COCC[N@H+](C)Cc1cc(C)ccc1O ZINC000132703700 591731155 /nfs/dbraw/zinc/73/11/55/591731155.db2.gz YCVVFCBDLUXTCJ-UHFFFAOYSA-N 1 0 209.289 1.779 20 10 BDCDRO COC(C)(C)C[NH2+]Cc1ccccc1O ZINC000133023453 591757296 /nfs/dbraw/zinc/75/72/96/591757296.db2.gz QSVCDZUVZKGSSS-UHFFFAOYSA-N 1 0 209.289 1.907 20 10 BDCDRO C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(N)cc1 ZINC000884009460 591796716 /nfs/dbraw/zinc/79/67/16/591796716.db2.gz WZFMPNOVXPSHRC-LBPRGKRZSA-N 1 0 235.331 1.841 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)CO)c1 ZINC000133528867 591819744 /nfs/dbraw/zinc/81/97/44/591819744.db2.gz QYUONPPBQNKVSB-UHFFFAOYSA-N 1 0 223.316 1.809 20 10 BDCDRO CC1(C)[C@H](NC(=O)Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC000884348437 591909777 /nfs/dbraw/zinc/90/97/77/591909777.db2.gz ZFIGXWRVXIIBTA-NWDGAFQWSA-N 1 0 247.342 1.053 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC1)c1ccccc1O ZINC000135718873 592033780 /nfs/dbraw/zinc/03/37/80/592033780.db2.gz WGDJEZFLUWTWHE-ZJUUUORDSA-N 1 0 248.326 1.710 20 10 BDCDRO CCN(CC[NH3+])Cc1cc(Cl)ccc1O ZINC000300799236 592520502 /nfs/dbraw/zinc/52/05/02/592520502.db2.gz ITHBNUNBDYMNHC-UHFFFAOYSA-N 1 0 228.723 1.826 20 10 BDCDRO CC1(C)COC[C@H]1[NH2+]Cc1ccccc1O ZINC000313109053 634451129 /nfs/dbraw/zinc/45/11/29/634451129.db2.gz CYHSRBWSHFTSGX-GFCCVEGCSA-N 1 0 221.300 1.907 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)C[C@@H](C)O)c1O ZINC000228085207 635456579 /nfs/dbraw/zinc/45/65/79/635456579.db2.gz FFGGOSLVOCDFME-NXEZZACHSA-N 1 0 239.315 1.650 20 10 BDCDRO Oc1ccccc1CNC[C@H]1CCCC[NH2+]1 ZINC000236564578 635603684 /nfs/dbraw/zinc/60/36/84/635603684.db2.gz IXSDPYCEWSQMMZ-GFCCVEGCSA-N 1 0 220.316 1.624 20 10 BDCDRO CC(=O)NCC[N@@H+](C)Cc1cccc(C)c1O ZINC000308319666 631284751 /nfs/dbraw/zinc/28/47/51/631284751.db2.gz XTXHBBASJSOJST-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO CN(C)CC(C)(C)[NH2+]Cc1ccccc1O ZINC000308608439 631343179 /nfs/dbraw/zinc/34/31/79/631343179.db2.gz MUYCRVALFYCURR-UHFFFAOYSA-N 1 0 222.332 1.822 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000085369288 631459066 /nfs/dbraw/zinc/45/90/66/631459066.db2.gz DZEDWCYIEFSKNI-NEPJUHHUSA-N 1 0 248.326 1.478 20 10 BDCDRO C[C@@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000096811528 635634749 /nfs/dbraw/zinc/63/47/49/635634749.db2.gz OGKFCMMMGFYFLI-NSHDSACASA-N 1 0 222.332 1.613 20 10 BDCDRO CC(C)(O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000082548110 632488007 /nfs/dbraw/zinc/48/80/07/632488007.db2.gz PMZJIXNGTNCABV-UHFFFAOYSA-N 1 0 235.327 1.872 20 10 BDCDRO CC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000162197974 632548482 /nfs/dbraw/zinc/54/84/82/632548482.db2.gz LYTVOLGQKZRPPR-ZJUUUORDSA-N 1 0 209.289 1.814 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000236547777 632972550 /nfs/dbraw/zinc/97/25/50/632972550.db2.gz SQMNFJDJQVRQGV-GFCCVEGCSA-N 1 0 225.263 1.392 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@H]2COCO2)c1O ZINC000894885751 635997880 /nfs/dbraw/zinc/99/78/80/635997880.db2.gz SFOHASRTSAQEOO-LBPRGKRZSA-N 1 0 237.299 1.417 20 10 BDCDRO OC[C@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000294100235 633752734 /nfs/dbraw/zinc/75/27/34/633752734.db2.gz RZZTZBIDJZAPRL-LBPRGKRZSA-N 1 0 235.327 1.987 20 10 BDCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000309956556 634050818 /nfs/dbraw/zinc/05/08/18/634050818.db2.gz IPIMTQCXEMDFHY-GHMZBOCLSA-N 1 0 222.332 1.612 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC000190067278 634185030 /nfs/dbraw/zinc/18/50/30/634185030.db2.gz GNGPUJGEVDVCBG-CABZTGNLSA-N 1 0 239.290 1.734 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)CC1CC(O)C1 ZINC000191159483 634205003 /nfs/dbraw/zinc/20/50/03/634205003.db2.gz SQBJBSFEBFIZMQ-UHFFFAOYSA-N 1 0 221.300 1.595 20 10 BDCDRO COc1ccc(N(C)C[C@@H]2CC[NH2+]C2)cc1F ZINC000258854555 635213649 /nfs/dbraw/zinc/21/36/49/635213649.db2.gz IEPBHUDWOLWMGH-SNVBAGLBSA-N 1 0 238.306 1.880 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000931773206 635336529 /nfs/dbraw/zinc/33/65/29/635336529.db2.gz OYNGJEAVNWDJTR-ZDUSSCGKSA-N 1 0 236.359 1.922 20 10 BDCDRO Cc1cc(O)c(CN2CC[NH2+]CC2)cc1C ZINC000083017933 636707536 /nfs/dbraw/zinc/70/75/36/636707536.db2.gz VXHUSTQCVTYRHB-UHFFFAOYSA-N 1 0 220.316 1.414 20 10 BDCDRO CC[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1O ZINC000079928565 636862142 /nfs/dbraw/zinc/86/21/42/636862142.db2.gz VTQOEWQEHIUIDB-CMPLNLGQSA-N 1 0 248.326 1.712 20 10 BDCDRO CC[C@H]([NH2+]CCCON)c1ccccc1O ZINC000902425888 637305321 /nfs/dbraw/zinc/30/53/21/637305321.db2.gz OSBMAPAVTITKDN-NSHDSACASA-N 1 0 224.304 1.713 20 10 BDCDRO Nc1ccc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)cc1 ZINC000911661841 639694063 /nfs/dbraw/zinc/69/40/63/639694063.db2.gz XWFDRQNCESTZNV-RNCFNFMXSA-N 1 0 231.299 1.349 20 10 BDCDRO CC(C)C[C@@H]([NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000911661904 639694456 /nfs/dbraw/zinc/69/44/56/639694456.db2.gz ZQZYQCGOXWOQIH-LLVKDONJSA-N 1 0 235.331 1.971 20 10 BDCDRO CC(C)C[C@H]([NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000911661905 639694979 /nfs/dbraw/zinc/69/49/79/639694979.db2.gz ZQZYQCGOXWOQIH-NSHDSACASA-N 1 0 235.331 1.971 20 10 BDCDRO COC[C@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000226610317 640777445 /nfs/dbraw/zinc/77/74/45/640777445.db2.gz XYNOWUGMXRZYGU-NSHDSACASA-N 1 0 243.278 1.018 20 10 BDCDRO Nc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000168803376 640829316 /nfs/dbraw/zinc/82/93/16/640829316.db2.gz XNTWVFQJNSOYNP-JTQLQIEISA-N 1 0 233.315 1.597 20 10 BDCDRO Oc1ccccc1CNC[C@H]1CCC[NH2+]1 ZINC000229321445 640946861 /nfs/dbraw/zinc/94/68/61/640946861.db2.gz BLWRWDSYQPBREM-LLVKDONJSA-N 1 0 206.289 1.234 20 10 BDCDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000230677342 641080958 /nfs/dbraw/zinc/08/09/58/641080958.db2.gz HQWYTPXLDYVCFX-KBPBESRZSA-N 1 0 247.338 1.872 20 10 BDCDRO COCCN1CCCc2cc(C[NH3+])ccc21 ZINC000062801579 641092363 /nfs/dbraw/zinc/09/23/63/641092363.db2.gz WBYPQTIJDYIVMC-UHFFFAOYSA-N 1 0 220.316 1.544 20 10 BDCDRO C[NH2+]C[C@H]1CCCN1C(=O)Cc1ccc(N)cc1 ZINC000161192617 641800422 /nfs/dbraw/zinc/80/04/22/641800422.db2.gz NELWLMKIBGMYRN-CYBMUJFWSA-N 1 0 247.342 1.022 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H](O)C1CC1 ZINC000070880916 643075769 /nfs/dbraw/zinc/07/57/69/643075769.db2.gz RAIQJKRIBQUSSJ-GFCCVEGCSA-N 1 0 241.718 1.906 20 10 BDCDRO c1cc2c(cc1C[NH2+][C@@H]1CCOC1)CCCO2 ZINC000921930975 643829274 /nfs/dbraw/zinc/82/92/74/643829274.db2.gz WXWQTNSJJMDTOF-CYBMUJFWSA-N 1 0 233.311 1.890 20 10 BDCDRO Cc1cc(CN2CC[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923274668 644309177 /nfs/dbraw/zinc/30/91/77/644309177.db2.gz PIRVMLVQUQQEEL-CYBMUJFWSA-N 1 0 233.359 1.594 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H](C)C[C@@H](C)O ZINC000782977464 644749276 /nfs/dbraw/zinc/74/92/76/644749276.db2.gz FXFSVXNQGGFYMZ-NXEZZACHSA-N 1 0 239.315 1.650 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000846047138 645394521 /nfs/dbraw/zinc/39/45/21/645394521.db2.gz UVBCMJILQRBJPB-TXEJJXNPSA-N 1 0 247.342 1.106 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](CO)C2CC2)c1O ZINC000381363434 710627715 /nfs/dbraw/zinc/62/77/15/710627715.db2.gz GDBBGTQSMXXMKO-LBPRGKRZSA-N 1 0 221.300 1.561 20 10 BDCDRO C[N@H+](CCC[NH3+])Cc1cccc(F)c1[O-] ZINC000381787362 710715653 /nfs/dbraw/zinc/71/56/53/710715653.db2.gz ZETAEQOBQSIHHN-UHFFFAOYSA-N 1 0 212.268 1.312 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000380671493 712902419 /nfs/dbraw/zinc/90/24/19/712902419.db2.gz BKHCCEXHBXNQMM-GHMZBOCLSA-N 1 0 221.348 1.578 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](C)O ZINC000386831407 711036727 /nfs/dbraw/zinc/03/67/27/711036727.db2.gz HVKRROJYBZMLPB-MWLCHTKSSA-N 1 0 239.315 1.650 20 10 BDCDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1c(O)cccc1Cl ZINC000390561005 711125030 /nfs/dbraw/zinc/12/50/30/711125030.db2.gz KFNVKIPLAURRBI-KWQFWETISA-N 1 0 240.734 1.967 20 10 BDCDRO CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000386486412 711031317 /nfs/dbraw/zinc/03/13/17/711031317.db2.gz WVZRIKMEJRXMKM-CQSZACIVSA-N 1 0 246.354 1.805 20 10 BDCDRO C[C@H]([NH2+]Cc1cnn[nH]1)c1ccccc1O ZINC000398319862 711585113 /nfs/dbraw/zinc/58/51/13/711585113.db2.gz YSHHTVNQAXGNTJ-QMMMGPOBSA-N 1 0 218.260 1.361 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2CC23CC(O)C3)c1O ZINC000724952226 711633287 /nfs/dbraw/zinc/63/32/87/711633287.db2.gz GWFMRDSJUYPENH-OWYJLGKBSA-N 1 0 247.338 1.958 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1C ZINC000054543741 711798193 /nfs/dbraw/zinc/79/81/93/711798193.db2.gz DCDVVEHDAYHIFD-NSHDSACASA-N 1 0 248.326 1.316 20 10 BDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1O ZINC000700654381 712001702 /nfs/dbraw/zinc/00/17/02/712001702.db2.gz RLXHPQGFYKVQKE-NWDGAFQWSA-N 1 0 248.326 1.397 20 10 BDCDRO CO[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000706547660 712149293 /nfs/dbraw/zinc/14/92/93/712149293.db2.gz ZQGUCGHKRDNBRG-HAQNSBGRSA-N 1 0 221.300 1.968 20 10 BDCDRO OC[C@H]1C[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000707622208 712176254 /nfs/dbraw/zinc/17/62/54/712176254.db2.gz XBPKFBOQYPTHQL-WCQGTBRESA-N 1 0 233.311 1.740 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCCN(C)C1=O)c1ccccc1O ZINC000707764253 712177747 /nfs/dbraw/zinc/17/77/47/712177747.db2.gz ZUKHDPDGGBZLLL-JQWIXIFHSA-N 1 0 248.326 1.664 20 10 BDCDRO CCc1cccc(C[NH2+]CCn2ccnc2)c1O ZINC000709447587 712222142 /nfs/dbraw/zinc/22/21/42/712222142.db2.gz VREJCJPFDOHWBD-UHFFFAOYSA-N 1 0 245.326 1.941 20 10 BDCDRO CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccccc1O ZINC000710039298 712243148 /nfs/dbraw/zinc/24/31/48/712243148.db2.gz KJCJDIMDKYHEHQ-LLVKDONJSA-N 1 0 234.299 1.006 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(F)ccc1O ZINC000378722354 712358491 /nfs/dbraw/zinc/35/84/91/712358491.db2.gz GWJJWRNSQHWAPX-HNBZJPLGSA-N 1 0 225.263 1.705 20 10 BDCDRO CN1CC[C@@H]1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000712581810 712433422 /nfs/dbraw/zinc/43/34/22/712433422.db2.gz PSYZIFWNDNLLNS-VXGBXAGGSA-N 1 0 232.327 1.673 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]C/C=C\CO)c(O)c1 ZINC000717531290 712660434 /nfs/dbraw/zinc/66/04/34/712660434.db2.gz DPJUROGCWZQKRK-BYCRGOAPSA-N 1 0 221.300 1.900 20 10 BDCDRO OC/C=C/C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000717531863 712660471 /nfs/dbraw/zinc/66/04/71/712660471.db2.gz IJADYHRJSWGVKJ-FMBMQGQPSA-N 1 0 219.284 1.518 20 10 BDCDRO C[C@H]([NH2+]C/C=C/CO)c1ccc(N(C)C)cc1 ZINC000717533751 712660699 /nfs/dbraw/zinc/66/06/99/712660699.db2.gz YJTDVHJFSQIZPD-ITKZLYELSA-N 1 0 234.343 1.952 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H]([NH3+])C(C)(C)C2)c1 ZINC000720765985 712864069 /nfs/dbraw/zinc/86/40/69/712864069.db2.gz FQYRTJCAYIEBEK-CYBMUJFWSA-N 1 0 234.343 1.870 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(F)ccc1O ZINC000720951951 712882480 /nfs/dbraw/zinc/88/24/80/712882480.db2.gz TVRWWJFQSJCONN-FXPVBKGRSA-N 1 0 239.290 1.953 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]CCO)c1O ZINC000038417065 712887218 /nfs/dbraw/zinc/88/72/18/712887218.db2.gz ZQOXRMFLOCGTSQ-MRVPVSSYSA-N 1 0 211.261 1.044 20 10 BDCDRO OC[C@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156720 960890921 /nfs/dbraw/zinc/89/09/21/960890921.db2.gz RXADYTYLTYMQFB-SNVBAGLBSA-N 1 0 223.272 1.055 20 10 BDCDRO CNc1ccccc1NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC001162481100 964996017 /nfs/dbraw/zinc/99/60/17/964996017.db2.gz HXAZRTZCKOSOJY-UWVGGRQHSA-N 1 0 223.295 1.840 20 10 BDCDRO CCOc1cccc(C[NH+]2CCC2)c1O ZINC001203602331 966699665 /nfs/dbraw/zinc/69/96/65/966699665.db2.gz PTHLONVCEHZEPF-UHFFFAOYSA-N 1 0 207.273 1.997 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N(C)C)cc1O ZINC001236903867 979790375 /nfs/dbraw/zinc/79/03/75/979790375.db2.gz HGJZTHGTELEJCV-JTQLQIEISA-N 1 0 237.347 1.237 20 10 BDCDRO Oc1cccc(Cl)c1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC001345103104 980549497 /nfs/dbraw/zinc/54/94/97/980549497.db2.gz BGQDGEMCHXEZDZ-JDICNCQASA-N 1 0 238.718 1.353 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CO[C@H](C)C2)c1O ZINC000402145571 970765853 /nfs/dbraw/zinc/76/58/53/970765853.db2.gz NKGUQNRZVJWDFQ-ZYHUDNBSSA-N 1 0 221.300 1.968 20 10 BDCDRO C[C@@H]1CC[C@H](CO)C[N@@H+]1Cc1ccccc1O ZINC000305748067 970789791 /nfs/dbraw/zinc/78/97/91/970789791.db2.gz UKYKTTQYKFSUHN-NEPJUHHUSA-N 1 0 235.327 1.985 20 10 BDCDRO CC[C@@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001257430001 971337611 /nfs/dbraw/zinc/33/76/11/971337611.db2.gz CIDGEXVSQACNHF-MRVPVSSYSA-N 1 0 225.288 1.734 20 10 BDCDRO Nc1ccc(O[C@H]2C[NH2+]CC[C@@H]2F)cc1 ZINC001217959403 971547560 /nfs/dbraw/zinc/54/75/60/971547560.db2.gz VMVSCXUXDDQHBY-QWRGUYRKSA-N 1 0 210.252 1.348 20 10 BDCDRO Nc1ccc(O[C@H]2CC[C@]23CC[NH2+]C3)cc1 ZINC001218113892 971600692 /nfs/dbraw/zinc/60/06/92/971600692.db2.gz GVIZGKQOISTKNH-QWHCGFSZSA-N 1 0 218.300 1.790 20 10 BDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747718 959792206 /nfs/dbraw/zinc/79/22/06/959792206.db2.gz JKXXKEUGQGRVDU-LLVKDONJSA-N 1 0 249.310 1.817 20 10 BDCDRO COC[C@@H](CC[NH2+]Cc1ccccc1O)OC ZINC000694374739 959846570 /nfs/dbraw/zinc/84/65/70/959846570.db2.gz QSFIOYFUGPNNGC-GFCCVEGCSA-N 1 0 239.315 1.533 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCN(C)C2)c1 ZINC000310558402 960188921 /nfs/dbraw/zinc/18/89/21/960188921.db2.gz ZKNIXXYJIORODB-ZDUSSCGKSA-N 1 0 234.343 1.837 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC(C)C2)c1O ZINC001140742673 960546610 /nfs/dbraw/zinc/54/66/10/960546610.db2.gz USYMVLLQTGEZNX-UHFFFAOYSA-N 1 0 207.273 1.858 20 10 BDCDRO Cc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001140948715 960744476 /nfs/dbraw/zinc/74/44/76/960744476.db2.gz XCIWCBBYXWJMKH-UHFFFAOYSA-N 1 0 233.311 1.657 20 10 BDCDRO Cc1ccc(C[N@@H+](C)C2COC2)c(O)c1 ZINC001140949507 960747041 /nfs/dbraw/zinc/74/70/41/960747041.db2.gz CFKHOYDCQYGGAP-UHFFFAOYSA-N 1 0 207.273 1.531 20 10 BDCDRO OCC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141158116 960890223 /nfs/dbraw/zinc/89/02/23/960890223.db2.gz URMOONYEVLKVKJ-UHFFFAOYSA-N 1 0 237.299 1.302 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156051 960890760 /nfs/dbraw/zinc/89/07/60/960890760.db2.gz DMTKIHRTKFRCIF-CABZTGNLSA-N 1 0 237.299 1.301 20 10 BDCDRO Oc1ccc(O)c(CN2CC[NH+](C3CC3)CC2)c1 ZINC001141155634 960890798 /nfs/dbraw/zinc/89/07/98/960890798.db2.gz CDIUFMWPHCJQDX-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cc(O)ccc1O ZINC001141157322 960895630 /nfs/dbraw/zinc/89/56/30/960895630.db2.gz GGMWHUVNDAWQGQ-PHIMTYICSA-N 1 0 247.294 1.794 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@]3(CCOC3)C2)c1 ZINC001141156947 960897285 /nfs/dbraw/zinc/89/72/85/960897285.db2.gz YSEIISYANYQBEV-AWEZNQCLSA-N 1 0 249.310 1.710 20 10 BDCDRO CCO[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162572 960901303 /nfs/dbraw/zinc/90/13/03/960901303.db2.gz VVQMCSHIIIOAKA-GFCCVEGCSA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]23CCOC3)c1 ZINC001141161896 960907868 /nfs/dbraw/zinc/90/78/68/960907868.db2.gz HGYDSZNKEWJFIH-ZDUSSCGKSA-N 1 0 235.283 1.463 20 10 BDCDRO CCc1ccc(CN2CCC[NH2+]CC2)c(O)c1 ZINC001204685125 963619113 /nfs/dbraw/zinc/61/91/13/963619113.db2.gz TXCLOZZYVVHDOF-UHFFFAOYSA-N 1 0 234.343 1.750 20 10 BDCDRO C[NH2+]C1CN(Cc2ccc3c(c2)CCCN3C)C1 ZINC001204706251 964186204 /nfs/dbraw/zinc/18/62/04/964186204.db2.gz ITXNFITYOHBREJ-UHFFFAOYSA-N 1 0 245.370 1.473 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001236169171 966283967 /nfs/dbraw/zinc/28/39/67/966283967.db2.gz BCEZGPIEPBPJIA-JTQLQIEISA-N 1 0 226.707 1.579 20 10 BDCDRO Cc1cc(O)c(CN2CC[C@@H]([NH3+])C2)cc1Cl ZINC001236173929 966293659 /nfs/dbraw/zinc/29/36/59/966293659.db2.gz RSVDAQMKZGXKRT-SNVBAGLBSA-N 1 0 240.734 1.887 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@@H]1CCCC[C@H]1[NH3+] ZINC001236219856 966311476 /nfs/dbraw/zinc/31/14/76/966311476.db2.gz XQDPQULKPXFGKF-ZIAGYGMSSA-N 1 0 233.359 1.971 20 10 BDCDRO Oc1ccc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236281901 966331263 /nfs/dbraw/zinc/33/12/63/966331263.db2.gz CCKPTLFBOOBPMJ-GXSJLCMTSA-N 1 0 238.718 1.449 20 10 BDCDRO Cc1cc(F)cc(CN2C[C@H]3C[NH2+]C[C@@H]32)c1O ZINC001236287247 966340740 /nfs/dbraw/zinc/34/07/40/966340740.db2.gz DLWRVGGKMAUNTN-PWSUYJOCSA-N 1 0 236.290 1.243 20 10 BDCDRO Cc1cc(F)cc(CN2C[C@@H]3C[NH2+]C[C@H]32)c1O ZINC001236287224 966340919 /nfs/dbraw/zinc/34/09/19/966340919.db2.gz DLWRVGGKMAUNTN-CMPLNLGQSA-N 1 0 236.290 1.243 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@@]1(C)O ZINC001203549928 966673475 /nfs/dbraw/zinc/67/34/75/966673475.db2.gz DASBWCQDWBAZNA-SMDDNHRTSA-N 1 0 235.327 1.985 20 10 BDCDRO COc1ccc(C[NH+]2CC(C)C2)c(O)c1 ZINC001203621004 966710712 /nfs/dbraw/zinc/71/07/12/966710712.db2.gz NASCCMFYWUMJMW-UHFFFAOYSA-N 1 0 207.273 1.853 20 10 BDCDRO OCC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203878431 966790411 /nfs/dbraw/zinc/79/04/11/966790411.db2.gz UIERUTSTIPWJOI-UHFFFAOYSA-N 1 0 237.299 1.302 20 10 BDCDRO Oc1ccc(CN2CC[NH+](C3CC3)CC2)cc1O ZINC001203874066 966806085 /nfs/dbraw/zinc/80/60/85/966806085.db2.gz MTBZLVDGXVGMKB-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO Oc1ccc(C[N@H+]2CCCC[C@@H](O)C2)cc1O ZINC001203875836 966806420 /nfs/dbraw/zinc/80/64/20/966806420.db2.gz XBBKXRHHSGVRGR-LLVKDONJSA-N 1 0 237.299 1.445 20 10 BDCDRO C[N@H+](Cc1ccc(O)c(O)c1)C1CCOCC1 ZINC001203874444 966806896 /nfs/dbraw/zinc/80/68/96/966806896.db2.gz YHHUPZGLNREYQG-UHFFFAOYSA-N 1 0 237.299 1.709 20 10 BDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875832 966806959 /nfs/dbraw/zinc/80/69/59/966806959.db2.gz WUPGVKPLVGJJFA-PSASIEDQSA-N 1 0 223.272 1.053 20 10 BDCDRO Oc1ccc(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC001204280723 966952576 /nfs/dbraw/zinc/95/25/76/966952576.db2.gz CNYKJXFSCXYPIJ-UHFFFAOYSA-N 1 0 229.226 1.795 20 10 BDCDRO Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC001204275037 966955460 /nfs/dbraw/zinc/95/54/60/966955460.db2.gz MBXDUPXUABZDLZ-LBPRGKRZSA-N 1 0 248.326 1.378 20 10 BDCDRO OC[C@]1(F)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276577 966956083 /nfs/dbraw/zinc/95/60/83/966956083.db2.gz NKZOWWANUSOOBJ-LBPRGKRZSA-N 1 0 241.262 1.004 20 10 BDCDRO CN1C[C@H]2CCC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC001203556893 966973373 /nfs/dbraw/zinc/97/33/73/966973373.db2.gz WKRMAZKERGKXMF-TZMCWYRMSA-N 1 0 246.354 1.918 20 10 BDCDRO CCOc1ccc(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001204993887 967278881 /nfs/dbraw/zinc/27/88/81/967278881.db2.gz OYWOSCWNDZJGDO-UHFFFAOYSA-N 1 0 236.315 1.324 20 10 BDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC000169816521 967986754 /nfs/dbraw/zinc/98/67/54/967986754.db2.gz RVLJXOCVKMIDBW-SKDRFNHKSA-N 1 0 235.331 1.258 20 10 BDCDRO CN(C[C@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC001118896833 968254600 /nfs/dbraw/zinc/25/46/00/968254600.db2.gz HAZPKJQXDSKDNZ-NSHDSACASA-N 1 0 219.332 1.705 20 10 BDCDRO Cc1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)c(O)c1 ZINC001206425005 968298750 /nfs/dbraw/zinc/29/87/50/968298750.db2.gz SXUXEVKKCFWXER-NWDGAFQWSA-N 1 0 238.306 1.572 20 10 BDCDRO CC1(C)C[C@H](O)C[N@H+](Cc2ccc(N)cc2)C1 ZINC001120268487 968550032 /nfs/dbraw/zinc/55/00/32/968550032.db2.gz FZJVYYFZLULJPX-ZDUSSCGKSA-N 1 0 234.343 1.862 20 10 BDCDRO C[C@H]1CCN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001210499766 969910795 /nfs/dbraw/zinc/91/07/95/969910795.db2.gz WSVQRISZQWBXSE-NSHDSACASA-N 1 0 219.332 1.453 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H]2CCOC2)c1O ZINC000691467822 969994724 /nfs/dbraw/zinc/99/47/24/969994724.db2.gz RPONXRZMCMNORY-GFCCVEGCSA-N 1 0 221.300 1.833 20 10 BDCDRO CCc1cccc(C[NH2+]CC[C@H](C)O)c1O ZINC000691479293 970006780 /nfs/dbraw/zinc/00/67/80/970006780.db2.gz GKOHWBMGOSXREP-JTQLQIEISA-N 1 0 223.316 1.815 20 10 BDCDRO CNc1ccccc1NC[C@H]1COCC[NH2+]1 ZINC001170047361 970085629 /nfs/dbraw/zinc/08/56/29/970085629.db2.gz LLHNTWILIUBWNC-JTQLQIEISA-N 1 0 221.304 1.129 20 10 BDCDRO Cc1cc(C)c(C[NH2+][C@H]2CCN(C)C2)c(O)c1 ZINC001255420120 970143837 /nfs/dbraw/zinc/14/38/37/970143837.db2.gz KOPVTXUYNONAIT-LBPRGKRZSA-N 1 0 234.343 1.803 20 10 BDCDRO C[C@@H]1C[C@@H](F)C[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499140 972846928 /nfs/dbraw/zinc/84/69/28/972846928.db2.gz BMHBLQFGRKFVAN-HTQZYQBOSA-N 1 0 241.262 1.736 20 10 BDCDRO CC(C)C[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144499863 972848002 /nfs/dbraw/zinc/84/80/02/972848002.db2.gz MNGAXYPYAKDRSY-UHFFFAOYSA-N 1 0 225.288 1.891 20 10 BDCDRO C[C@@H]1CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504019 972851854 /nfs/dbraw/zinc/85/18/54/972851854.db2.gz ILBINRQAYKXAHW-SSDOTTSWSA-N 1 0 209.245 1.398 20 10 BDCDRO C[N@@H+]1CCC12CN(c1ccc3c(c1)OCCO3)C2 ZINC001277014333 974142572 /nfs/dbraw/zinc/14/25/72/974142572.db2.gz QBNYGIBAWHLBNR-UHFFFAOYSA-N 1 0 246.310 1.352 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)c1ccccc1O ZINC001330711319 974435358 /nfs/dbraw/zinc/43/53/58/974435358.db2.gz VGIHHVJGVQYFJO-LKAMGYQZSA-N 1 0 246.310 1.177 20 10 BDCDRO CN(c1ccc2c(c1)OCO2)C(C)(C)C[NH3+] ZINC000258954403 975291069 /nfs/dbraw/zinc/29/10/69/975291069.db2.gz XGQKEYCNNWRQDY-UHFFFAOYSA-N 1 0 222.288 1.589 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N)cc2)[C@H]1C ZINC001335290427 976932694 /nfs/dbraw/zinc/93/26/94/976932694.db2.gz WJWKAZAPSZOMAY-GWCFXTLKSA-N 1 0 248.326 1.652 20 10 BDCDRO COc1cc(C[NH+]2CC(C)(C)C2)c(O)cc1O ZINC001231634017 977654877 /nfs/dbraw/zinc/65/48/77/977654877.db2.gz GEMADROEKMYWIB-UHFFFAOYSA-N 1 0 237.299 1.948 20 10 BDCDRO C[N@H+](Cc1ccc(=O)[nH]n1)Cc1ccccc1O ZINC001232025845 977853747 /nfs/dbraw/zinc/85/37/47/977853747.db2.gz BDABQUUCAXMUAN-UHFFFAOYSA-N 1 0 245.282 1.520 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CCF)c(O)c1 ZINC001232842108 978309616 /nfs/dbraw/zinc/30/96/16/978309616.db2.gz IFQUESPJNFVTAJ-UHFFFAOYSA-N 1 0 226.295 1.860 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001232835403 978310251 /nfs/dbraw/zinc/31/02/51/978310251.db2.gz BXWHWXTUTBDTMO-TXEJJXNPSA-N 1 0 232.327 1.910 20 10 BDCDRO CN(C)c1ccc(CN2CC([NH+](C)C)C2)c(O)c1 ZINC001232834962 978310944 /nfs/dbraw/zinc/31/09/44/978310944.db2.gz SHHVVRTUAMLMKQ-UHFFFAOYSA-N 1 0 249.358 1.204 20 10 BDCDRO CC(C)[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482356 978611240 /nfs/dbraw/zinc/61/12/40/978611240.db2.gz KZAWAKAMCRKKNS-UHFFFAOYSA-N 1 0 211.261 1.644 20 10 BDCDRO C[N@@H+](Cc1cc(O)c(O)cc1O)CC1CC1 ZINC001233482521 978613435 /nfs/dbraw/zinc/61/34/35/978613435.db2.gz QWVRBCQQHRTVNJ-UHFFFAOYSA-N 1 0 223.272 1.645 20 10 BDCDRO C[C@H]1CC[C@@H]([NH3+])CN1Cc1ccc(N)cc1 ZINC001235906318 979196280 /nfs/dbraw/zinc/19/62/80/979196280.db2.gz NWYDWBIKZWRUBY-GXFFZTMASA-N 1 0 219.332 1.580 20 10 BDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1ccccc1O)C2 ZINC001235977272 979242252 /nfs/dbraw/zinc/24/22/52/979242252.db2.gz FYUAGQBMNBEJSQ-YPMHNXCESA-N 1 0 218.300 1.315 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(F)ccc1O)C2 ZINC001236022309 979313813 /nfs/dbraw/zinc/31/38/13/979313813.db2.gz CZODEMXFSBRHPH-BXKDBHETSA-N 1 0 222.263 1.064 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@@H]2C[C@]2([NH3+])C1 ZINC001236028364 979324905 /nfs/dbraw/zinc/32/49/05/979324905.db2.gz POCUVJGAJRJDBO-GWCFXTLKSA-N 1 0 218.300 1.234 20 10 BDCDRO CCc1ccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236029531 979325419 /nfs/dbraw/zinc/32/54/19/979325419.db2.gz SSRXTUONKZFEOC-TZMCWYRMSA-N 1 0 232.327 1.488 20 10 BDCDRO Nc1ccc(CN(C2CC2)C2C[NH2+]C2)cc1 ZINC001236063985 979357281 /nfs/dbraw/zinc/35/72/81/979357281.db2.gz LBJNGZQOCMYGEI-UHFFFAOYSA-N 1 0 217.316 1.205 20 10 BDCDRO CC(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236292579 979499487 /nfs/dbraw/zinc/49/94/87/979499487.db2.gz NJVLQBQFHALFJJ-KBPBESRZSA-N 1 0 246.354 1.919 20 10 BDCDRO CCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001236782793 979733884 /nfs/dbraw/zinc/73/38/84/979733884.db2.gz FBTMGVOKVLCKHF-WCQYABFASA-N 1 0 239.290 1.469 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(O)cc1O ZINC001236865322 979772054 /nfs/dbraw/zinc/77/20/54/979772054.db2.gz ISYFHSZSADFRSH-JTQLQIEISA-N 1 0 224.304 1.267 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1cccc(C)c1O ZINC001236870394 979778137 /nfs/dbraw/zinc/77/81/37/979778137.db2.gz QUHTYNCHZQOLJQ-LBPRGKRZSA-N 1 0 222.332 1.870 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2C[C@@H](C1)O2 ZINC001237486671 979908522 /nfs/dbraw/zinc/90/85/22/979908522.db2.gz ATKWLIPZAJOYLO-PHIMTYICSA-N 1 0 219.284 1.674 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](O)C[C@H]1C ZINC001237484514 979912210 /nfs/dbraw/zinc/91/22/10/979912210.db2.gz DTAPKLIHNAOTMO-GHMZBOCLSA-N 1 0 221.300 1.656 20 10 BDCDRO COC(=O)[C@@H]1CCN1Cc1c(C)cccc1O ZINC001237484286 979912613 /nfs/dbraw/zinc/91/26/13/979912613.db2.gz AGTVKNHMTXLVHE-NSHDSACASA-N 1 0 235.283 1.448 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCNC(=O)C1(C)C ZINC001237489889 979917822 /nfs/dbraw/zinc/91/78/22/979917822.db2.gz MSULESJFZISOMV-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCCC[C@H]1C(N)=O ZINC001237489079 979919340 /nfs/dbraw/zinc/91/93/40/979919340.db2.gz DRAIABVFGIGEGZ-LBPRGKRZSA-N 1 0 248.326 1.540 20 10 BDCDRO CC(C)(C)[C@H]([NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001343495071 980130462 /nfs/dbraw/zinc/13/04/62/980130462.db2.gz LTEDAHCNOUMHFK-GFCCVEGCSA-N 1 0 249.358 1.649 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC001238057728 980132411 /nfs/dbraw/zinc/13/24/11/980132411.db2.gz LTGBIGVLLGWDIB-GFCCVEGCSA-N 1 0 239.290 1.796 20 10 BDCDRO CN1CC[N@H+](Cc2ccc(N)cc2)C(C)(C)C1 ZINC001356082650 983570503 /nfs/dbraw/zinc/57/05/03/983570503.db2.gz ATHCIGSLXOOJMZ-UHFFFAOYSA-N 1 0 233.359 1.795 20 10 BDCDRO NC[C@@H]([NH2+]Cc1ccc(N)cc1)C1CCCC1 ZINC001356083735 983573384 /nfs/dbraw/zinc/57/33/84/983573384.db2.gz ZJVRIKFKHMUGND-CQSZACIVSA-N 1 0 233.359 1.876 20 10 BDCDRO C[C@]1(NCc2cc(F)c(F)cc2O)CC[NH2+]C1 ZINC001573627304 984038431 /nfs/dbraw/zinc/03/84/31/984038431.db2.gz ZCEAUSTWDIWKQN-LBPRGKRZSA-N 1 0 242.269 1.512 20 10 BDCDRO Oc1ccc(CC[NH2+][C@@H]2CCCOC2)cc1O ZINC001254364501 986593001 /nfs/dbraw/zinc/59/30/01/986593001.db2.gz UVNWPKKGLWGOTE-LLVKDONJSA-N 1 0 237.299 1.409 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000690779166 987280210 /nfs/dbraw/zinc/28/02/10/987280210.db2.gz AEVXFSPOLMLKGW-CHWSQXEVSA-N 1 0 233.311 1.861 20 10 BDCDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001515331020 989026094 /nfs/dbraw/zinc/02/60/94/989026094.db2.gz CTKGKQKEYBJHQA-GFCCVEGCSA-N 1 0 247.342 1.273 20 10 BDCDRO OCCCOCC[NH2+]Cc1cc(F)ccc1O ZINC001325700386 989233776 /nfs/dbraw/zinc/23/37/76/989233776.db2.gz IGDJARJHMCWDGA-UHFFFAOYSA-N 1 0 243.278 1.020 20 10 BDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@@H]2C)c(O)c1 ZINC001249178849 989261726 /nfs/dbraw/zinc/26/17/26/989261726.db2.gz WMSFNILGIOYYHP-JTQLQIEISA-N 1 0 249.310 1.702 20 10 BDCDRO C[C@@H](C(=O)NCc1c(O)cccc1F)[C@H](C)[NH3+] ZINC001122258239 990309215 /nfs/dbraw/zinc/30/92/15/990309215.db2.gz OZAGIZHANFCYEW-SFYZADRCSA-N 1 0 240.278 1.131 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1c(O)cccc1F ZINC001122258237 990309673 /nfs/dbraw/zinc/30/96/73/990309673.db2.gz OZAGIZHANFCYEW-HTQZYQBOSA-N 1 0 240.278 1.131 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC001122444389 990387368 /nfs/dbraw/zinc/38/73/68/990387368.db2.gz AQXNZYFHVSUADZ-AULYBMBSSA-N 1 0 247.342 1.403 20 10 BDCDRO Cc1cc(CN2CC([NH+](C)C)C2)ccc1N(C)C ZINC001139670209 990805023 /nfs/dbraw/zinc/80/50/23/990805023.db2.gz ZXMVAJSFWTYOOT-UHFFFAOYSA-N 1 0 247.386 1.807 20 10 BDCDRO CC1(C[NH3+])CN(Cc2cc(F)ccc2O)C1 ZINC001206723288 990880305 /nfs/dbraw/zinc/88/03/05/990880305.db2.gz NUCBIHYMSFVFMZ-UHFFFAOYSA-N 1 0 224.279 1.312 20 10 BDCDRO COC(=O)CC[C@@H](C)[NH2+]Cc1ccccc1O ZINC001258348274 991278709 /nfs/dbraw/zinc/27/87/09/991278709.db2.gz KFWGBSHLSWNCAV-SNVBAGLBSA-N 1 0 237.299 1.824 20 10 BDCDRO Cc1cc(C[NH+]2CC(CO)C2)ccc1N(C)C ZINC001139671997 991315383 /nfs/dbraw/zinc/31/53/83/991315383.db2.gz QUTMSUNEVZKTPW-UHFFFAOYSA-N 1 0 234.343 1.485 20 10 BDCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055442 991508815 /nfs/dbraw/zinc/50/88/15/991508815.db2.gz YOSGWOWLGOQEBC-SKDRFNHKSA-N 1 0 239.290 1.877 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001140058321 991509071 /nfs/dbraw/zinc/50/90/71/991509071.db2.gz WWOVZAHNKOIAON-JQWIXIFHSA-N 1 0 243.253 1.436 20 10 BDCDRO Cc1ccc(C)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1O ZINC001140182028 991549721 /nfs/dbraw/zinc/54/97/21/991549721.db2.gz GDAKICJVUCZAPU-TXEJJXNPSA-N 1 0 233.311 1.982 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CC(C)(O)C2)c1O ZINC001140178598 991551692 /nfs/dbraw/zinc/55/16/92/991551692.db2.gz PYJQMQKOAGTBOO-UHFFFAOYSA-N 1 0 221.300 1.576 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c1O ZINC001140182769 991558620 /nfs/dbraw/zinc/55/86/20/991558620.db2.gz ZRMQCJGCBXNIQP-RYUDHWBXSA-N 1 0 233.311 1.982 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1c(O)cccc1Cl ZINC000390561006 993797136 /nfs/dbraw/zinc/79/71/36/993797136.db2.gz KFNVKIPLAURRBI-LDYMZIIASA-N 1 0 240.734 1.967 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cnccn2)c1 ZINC000700509182 993838421 /nfs/dbraw/zinc/83/84/21/993838421.db2.gz WPGCBUSLAVWJIA-UHFFFAOYSA-N 1 0 245.282 1.481 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1C ZINC000367787053 178196975 /nfs/dbraw/zinc/19/69/75/178196975.db2.gz ZEGKQUJIBDYPFZ-WDNDVIMCSA-N 1 0 247.338 1.679 20 10 BDCDRO CC[C@@H]([NH2+][C@H](C)CO)c1ccccc1O ZINC000035602848 343299654 /nfs/dbraw/zinc/29/96/54/343299654.db2.gz YWQZBLCLTGPWSI-MWLCHTKSSA-N 1 0 209.289 1.814 20 10 BDCDRO C[C@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000035602969 343299727 /nfs/dbraw/zinc/29/97/27/343299727.db2.gz MJGUYZISENODNV-SSDOTTSWSA-N 1 0 215.680 1.516 20 10 BDCDRO CN1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000037267169 343342077 /nfs/dbraw/zinc/34/20/77/343342077.db2.gz OUHXWXWLOYLUOO-UHFFFAOYSA-N 1 0 220.316 1.576 20 10 BDCDRO C[C@H](O)CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000093481031 345672830 /nfs/dbraw/zinc/67/28/30/345672830.db2.gz NDNYJFMWWHWMSU-LBPRGKRZSA-N 1 0 236.359 1.955 20 10 BDCDRO Cc1cccc(C[N@H+](C)CCCCO)c1O ZINC000276519128 179065802 /nfs/dbraw/zinc/06/58/02/179065802.db2.gz BYVWCHQLLYYOTG-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1O ZINC000191181110 179079233 /nfs/dbraw/zinc/07/92/33/179079233.db2.gz NWQFSAFSAFKIFK-MFKMUULPSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCN3CCC2CC3)c1O ZINC000368044774 179076881 /nfs/dbraw/zinc/07/68/81/179076881.db2.gz UCZITHQWEZUPMX-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@H]([C@@H](C)O)C2)c1O ZINC000272568230 179082517 /nfs/dbraw/zinc/08/25/17/179082517.db2.gz VHBPEGLBXDRAEN-NEPJUHHUSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCO2)c1O ZINC000083351373 179092859 /nfs/dbraw/zinc/09/28/59/179092859.db2.gz VDUVSYJXBGXLOF-LBPRGKRZSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1O ZINC000165163834 179092863 /nfs/dbraw/zinc/09/28/63/179092863.db2.gz ZWWSCTOCUUOECT-GFCCVEGCSA-N 1 0 221.300 1.561 20 10 BDCDRO CC[N@H+](Cc1cc(F)ccc1O)[C@H](C)CO ZINC000292774764 352328153 /nfs/dbraw/zinc/32/81/53/352328153.db2.gz KUHOYCZOSQKNIA-SECBINFHSA-N 1 0 227.279 1.734 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@@H](O)C(F)F ZINC000295127620 353801679 /nfs/dbraw/zinc/80/16/79/353801679.db2.gz XOJSIWYRSIWTRQ-MWLCHTKSSA-N 1 0 245.269 1.886 20 10 BDCDRO CCN1CCC[N@H+](Cc2ccccc2O)CC1=O ZINC000191544032 357784725 /nfs/dbraw/zinc/78/47/25/357784725.db2.gz DILJTHXSIXMVSY-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO O=C(NCc1ccccc1O)[C@@H]1CCC[NH2+]C1 ZINC000082280826 182258536 /nfs/dbraw/zinc/25/85/36/182258536.db2.gz VKBJUEFKQYYPRG-LLVKDONJSA-N 1 0 234.299 1.008 20 10 BDCDRO OCC1CC[NH+](Cc2ccccc2O)CC1 ZINC000128550513 183040521 /nfs/dbraw/zinc/04/05/21/183040521.db2.gz PXKLOIBMPVTPIE-UHFFFAOYSA-N 1 0 221.300 1.597 20 10 BDCDRO OC[C@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000378502384 183147348 /nfs/dbraw/zinc/14/73/48/183147348.db2.gz YMCFTSZJVCZBGC-LBPRGKRZSA-N 1 0 235.327 1.987 20 10 BDCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000294881936 183247996 /nfs/dbraw/zinc/24/79/96/183247996.db2.gz QDZOIYIRDNUZTM-TXEJJXNPSA-N 1 0 219.284 1.234 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000226612931 183274871 /nfs/dbraw/zinc/27/48/71/183274871.db2.gz JEZSBSUPELOPSQ-SKDRFNHKSA-N 1 0 239.290 1.782 20 10 BDCDRO Oc1cccc(C[NH2+]C2CCOCC2)c1O ZINC000041049430 183288963 /nfs/dbraw/zinc/28/89/63/183288963.db2.gz PYSDLHQZKWGSPQ-UHFFFAOYSA-N 1 0 223.272 1.366 20 10 BDCDRO CCCN(Cc1ccccc1O)C(=O)C[NH2+]C ZINC000236732041 169177454 /nfs/dbraw/zinc/17/74/54/169177454.db2.gz LRIGTJVPNDLKIE-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCNC1=O ZINC000178206700 169178861 /nfs/dbraw/zinc/17/88/61/169178861.db2.gz SGYIFWYZKVLXTB-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO c1n[nH]cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000038006421 183368437 /nfs/dbraw/zinc/36/84/37/183368437.db2.gz KKHPVKZCMWBCGG-UHFFFAOYSA-N 1 0 229.283 1.634 20 10 BDCDRO C[C@H](CCCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000088503479 383904810 /nfs/dbraw/zinc/90/48/10/383904810.db2.gz ZDUXYTYBCGMZIS-LLVKDONJSA-N 1 0 235.327 1.872 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2nncn2C)c1 ZINC000038007768 384055295 /nfs/dbraw/zinc/05/52/95/384055295.db2.gz NYOSPHVHQNXIFO-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825881 384164630 /nfs/dbraw/zinc/16/46/30/384164630.db2.gz IXCMILYGPWOQQA-LBPRGKRZSA-N 1 0 235.331 1.106 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CCOC[C@H]2C)c1 ZINC000132605422 384238337 /nfs/dbraw/zinc/23/83/37/384238337.db2.gz HTHVMGYXEQOQPS-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO COC[C@@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000132677714 384245022 /nfs/dbraw/zinc/24/50/22/384245022.db2.gz JYUNMHOYPDMNQM-SNVBAGLBSA-N 1 0 239.315 1.868 20 10 BDCDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccccc1O ZINC000083461043 384306152 /nfs/dbraw/zinc/30/61/52/384306152.db2.gz DBRYTHBIAFUBQP-SECBINFHSA-N 1 0 209.289 1.814 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CO)c(O)c1 ZINC000035602319 384411241 /nfs/dbraw/zinc/41/12/41/384411241.db2.gz VXJYERNHSDQEKW-VHSXEESVSA-N 1 0 209.289 1.732 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CO)c1 ZINC000035629076 384417014 /nfs/dbraw/zinc/41/70/14/384417014.db2.gz RIBKYERJTKUHEX-ZJUUUORDSA-N 1 0 209.289 1.732 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1cnn(C)c1 ZINC000135192527 384421224 /nfs/dbraw/zinc/42/12/24/384421224.db2.gz YKXHMFXHNJGHDZ-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000080789515 384583935 /nfs/dbraw/zinc/58/39/35/384583935.db2.gz PECUEXZQTOMWMK-CYBMUJFWSA-N 1 0 235.327 1.728 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[S@](C)=O)c1 ZINC000164301263 384958753 /nfs/dbraw/zinc/95/87/53/384958753.db2.gz VZIPTOJJZANOFJ-QLJPJBMISA-N 1 0 241.356 1.557 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1cc(OC)ccc1O ZINC000087011387 385064470 /nfs/dbraw/zinc/06/44/70/385064470.db2.gz FKJUNFJDTYVJOW-ZDUSSCGKSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](C)O)c1cc(F)ccc1O ZINC000087111361 385073361 /nfs/dbraw/zinc/07/33/61/385073361.db2.gz CECSZDLHXUAKEF-JGVFFNPUSA-N 1 0 213.252 1.563 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111341 385074887 /nfs/dbraw/zinc/07/48/87/385074887.db2.gz COJWEHCPVQVWFR-SCZZXKLOSA-N 1 0 227.279 1.953 20 10 BDCDRO C[C@@H](CO)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111426 385075217 /nfs/dbraw/zinc/07/52/17/385075217.db2.gz IJJORDKEBAVHLH-RKDXNWHRSA-N 1 0 227.279 1.810 20 10 BDCDRO C[C@@H]([NH2+]CCCCO)c1cc(F)ccc1O ZINC000193283042 385390650 /nfs/dbraw/zinc/39/06/50/385390650.db2.gz IXVNBAXJYLILRD-SECBINFHSA-N 1 0 227.279 1.954 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000156759449 385466668 /nfs/dbraw/zinc/46/66/68/385466668.db2.gz XSTOFIDUSPSWHN-GHMZBOCLSA-N 1 0 249.358 1.352 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CCCO)cc1F ZINC000281889213 385712314 /nfs/dbraw/zinc/71/23/14/385712314.db2.gz YAZRTKVXBIYVBX-UHFFFAOYSA-N 1 0 240.322 1.706 20 10 BDCDRO Cc1ccc(O)c(CN2CC(=O)N(C)[C@@H](C)C2)c1 ZINC000282266901 385746161 /nfs/dbraw/zinc/74/61/61/385746161.db2.gz CIWLNOVUPNECSB-NSHDSACASA-N 1 0 248.326 1.363 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1O ZINC000271407551 385826495 /nfs/dbraw/zinc/82/64/95/385826495.db2.gz WZSGUNHIKIWNIY-FZMZJTMJSA-N 1 0 235.327 1.903 20 10 BDCDRO Nc1ccc(NC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000294649134 385878381 /nfs/dbraw/zinc/87/83/81/385878381.db2.gz BSSGQRNEMDOTAL-LLVKDONJSA-N 1 0 233.315 1.740 20 10 BDCDRO CC(C)[C@H](O)C[NH2+]Cc1ccccc1O ZINC000123922481 385946708 /nfs/dbraw/zinc/94/67/08/385946708.db2.gz VSPGAJVZUBTMOC-GFCCVEGCSA-N 1 0 209.289 1.499 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1 ZINC000235893593 386200567 /nfs/dbraw/zinc/20/05/67/386200567.db2.gz XBARFFRNRPTQRV-CQSZACIVSA-N 1 0 248.326 1.398 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)[C@@H]1CCOC1 ZINC000226564571 386334555 /nfs/dbraw/zinc/33/45/55/386334555.db2.gz VPHLXGCGEAACSA-LLVKDONJSA-N 1 0 225.263 1.752 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1cccc(OC)c1O ZINC000293755569 386668543 /nfs/dbraw/zinc/66/85/43/386668543.db2.gz XFVFHKAPEZKSJS-NSHDSACASA-N 1 0 237.299 1.622 20 10 BDCDRO CCn1nncc1C[NH2+]Cc1cc(C)ccc1O ZINC000527728146 387680511 /nfs/dbraw/zinc/68/05/11/387680511.db2.gz PPGKJWSRVUCGED-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO C[C@H]([NH2+]CC1COC1)c1cc(F)ccc1O ZINC000528026828 387832227 /nfs/dbraw/zinc/83/22/27/387832227.db2.gz QVAMWKHCYDMSHF-QMMMGPOBSA-N 1 0 225.263 1.828 20 10 BDCDRO C[C@H](C[NH2+][C@H]1CCc2cccc(O)c21)N(C)C ZINC000297659980 388431051 /nfs/dbraw/zinc/43/10/51/388431051.db2.gz KNFDAHVBAAOXCB-PWSUYJOCSA-N 1 0 234.343 1.919 20 10 BDCDRO CCC[C@](C)([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000262568221 135306608 /nfs/dbraw/zinc/30/66/08/135306608.db2.gz AKRXHGNAMVFCBI-AWEZNQCLSA-N 1 0 249.358 1.445 20 10 BDCDRO CC(C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879030 167117654 /nfs/dbraw/zinc/11/76/54/167117654.db2.gz AIUJEWYJQUSYIK-UHFFFAOYSA-N 1 0 209.245 1.619 20 10 BDCDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000189967889 167996528 /nfs/dbraw/zinc/99/65/28/167996528.db2.gz RISCGNHGUPMMPW-NWDGAFQWSA-N 1 0 239.290 1.780 20 10 BDCDRO CC[C@@](C)(O)C[N@H+](C)Cc1ccccc1O ZINC000161802222 171177456 /nfs/dbraw/zinc/17/74/56/171177456.db2.gz ZTDGPBUPESXSJO-CYBMUJFWSA-N 1 0 223.316 1.985 20 10 BDCDRO CC[C@@]1(C(=O)Nc2ccc(N)cc2)CCC[NH2+]1 ZINC000134365369 171197662 /nfs/dbraw/zinc/19/76/62/171197662.db2.gz VMDRBVLKADIKCX-ZDUSSCGKSA-N 1 0 233.315 1.740 20 10 BDCDRO CC[C@](C)(CO)[NH2+]Cc1cc(C)ccc1O ZINC000070898963 171694587 /nfs/dbraw/zinc/69/45/87/171694587.db2.gz YQARMFVPMKLKHF-CYBMUJFWSA-N 1 0 223.316 1.951 20 10 BDCDRO CN1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000040671820 173021569 /nfs/dbraw/zinc/02/15/69/173021569.db2.gz AUQRQSFZISEMPH-GFCCVEGCSA-N 1 0 220.316 1.576 20 10 BDCDRO CN1CC[C@@H]2CC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC000272698314 173133407 /nfs/dbraw/zinc/13/34/07/173133407.db2.gz YGCJJBYKJFOWPC-OCCSQVGLSA-N 1 0 246.354 1.918 20 10 BDCDRO CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179574345 173306433 /nfs/dbraw/zinc/30/64/33/173306433.db2.gz RNKOTJNGXFBYQS-LBPRGKRZSA-N 1 0 248.326 1.350 20 10 BDCDRO COCCC[N@H+](C)Cc1cccc(OC)c1O ZINC000134046089 174217472 /nfs/dbraw/zinc/21/74/72/174217472.db2.gz OBTQPPAHYSNXKH-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO CO[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000191202140 174833819 /nfs/dbraw/zinc/83/38/19/174833819.db2.gz VSRIFYVAPMRJBL-SNVBAGLBSA-N 1 0 221.300 1.746 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)CCCO)c1 ZINC000281643623 175158042 /nfs/dbraw/zinc/15/80/42/175158042.db2.gz AUCAHDMWDWXQPE-UHFFFAOYSA-N 1 0 225.288 1.215 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCO)c1 ZINC000020597020 175159999 /nfs/dbraw/zinc/15/99/99/175159999.db2.gz PHBPHYBFHIKZNL-MRVPVSSYSA-N 1 0 211.261 1.044 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)O)c1 ZINC000035601837 175160611 /nfs/dbraw/zinc/16/06/11/175160611.db2.gz UVAXSFWALKDRRH-IUCAKERBSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H](C)CCO)c1O ZINC000097435949 175264043 /nfs/dbraw/zinc/26/40/43/175264043.db2.gz ZZJPCKYWHGOAKS-SNVBAGLBSA-N 1 0 239.315 1.509 20 10 BDCDRO COc1cccc(C[NH2+]CCn2cccn2)c1O ZINC000042538756 175264868 /nfs/dbraw/zinc/26/48/68/175264868.db2.gz FAQMWEZWFMEISF-UHFFFAOYSA-N 1 0 247.298 1.387 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@H]2C)c1O ZINC000134247249 175267224 /nfs/dbraw/zinc/26/72/24/175267224.db2.gz AAENLCDLRXBGHD-GXSJLCMTSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180861554 177014891 /nfs/dbraw/zinc/01/48/91/177014891.db2.gz DWKXXHQEYMKAFM-UWVGGRQHSA-N 1 0 239.290 1.734 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000193545423 177395174 /nfs/dbraw/zinc/39/51/74/177395174.db2.gz GZDWSNYHEZAOME-MFKMUULPSA-N 1 0 247.342 1.068 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+]CC1COC1 ZINC000527818782 323687978 /nfs/dbraw/zinc/68/79/78/323687978.db2.gz UVYKIHZVVOYYKJ-UHFFFAOYSA-N 1 0 227.691 1.782 20 10 BDCDRO CC[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000133088725 488159352 /nfs/dbraw/zinc/15/93/52/488159352.db2.gz FOVBJXXOINPYIZ-UHFFFAOYSA-N 1 0 222.332 1.567 20 10 BDCDRO COc1cccc(CNCC23CC(C2)C[NH2+]3)c1O ZINC000853246130 588728516 /nfs/dbraw/zinc/72/85/16/588728516.db2.gz HCGAQLSBUXVUEX-UHFFFAOYSA-N 1 0 248.326 1.242 20 10 BDCDRO Oc1ccc(F)cc1CNCC12CC(C1)C[NH2+]2 ZINC000853245942 588728534 /nfs/dbraw/zinc/72/85/34/588728534.db2.gz DLOGTUNTCYILLF-UHFFFAOYSA-N 1 0 236.290 1.373 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1c(O)cccc1Cl ZINC000853249546 588728973 /nfs/dbraw/zinc/72/89/73/588728973.db2.gz RCLPBMGNDACWKH-QMMMGPOBSA-N 1 0 228.723 1.743 20 10 BDCDRO N[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1F ZINC000853248616 588729011 /nfs/dbraw/zinc/72/90/11/588729011.db2.gz VYYCVXMEKSQXPB-GHMZBOCLSA-N 1 0 224.279 1.263 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccccc1O ZINC000854230944 588780785 /nfs/dbraw/zinc/78/07/85/588780785.db2.gz CDAHMAHFXOIJMU-NXEZZACHSA-N 1 0 208.305 1.651 20 10 BDCDRO CCC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000112377515 588796449 /nfs/dbraw/zinc/79/64/49/588796449.db2.gz VACOVZHJTMNAQL-CYBMUJFWSA-N 1 0 235.327 1.872 20 10 BDCDRO C[C@@H]([NH3+])CNC(=O)N[C@H](C)c1ccccc1O ZINC000892104133 582792574 /nfs/dbraw/zinc/79/25/74/582792574.db2.gz VZLQIPPKRYBARI-RKDXNWHRSA-N 1 0 237.303 1.100 20 10 BDCDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1O ZINC000725848866 582904582 /nfs/dbraw/zinc/90/45/82/582904582.db2.gz AHMBCBIJUSOIBD-JTQLQIEISA-N 1 0 232.287 1.162 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1C ZINC000783731873 582960942 /nfs/dbraw/zinc/96/09/42/582960942.db2.gz AARJBZIAUXNVOL-DZGCQCFKSA-N 1 0 247.338 1.823 20 10 BDCDRO COc1cc(C)cc(C[N@H+](C)C[C@H](C)O)c1O ZINC000894450731 583463421 /nfs/dbraw/zinc/46/34/21/583463421.db2.gz NYUTUUAREXJFQH-JTQLQIEISA-N 1 0 239.315 1.522 20 10 BDCDRO COCC1C[NH+](Cc2cccc(C)c2O)C1 ZINC000895971418 583756383 /nfs/dbraw/zinc/75/63/83/583756383.db2.gz PXPLPBVPCJUXHQ-UHFFFAOYSA-N 1 0 221.300 1.779 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2COC[C@@H]2C)c(O)c1 ZINC000896733136 583828066 /nfs/dbraw/zinc/82/80/66/583828066.db2.gz NCEAHIMOJWIHPD-JQWIXIFHSA-N 1 0 221.300 1.825 20 10 BDCDRO CCOc1ccc(C[NH2+]Cc2cnn[nH]2)c(O)c1 ZINC000858198013 588938385 /nfs/dbraw/zinc/93/83/85/588938385.db2.gz KBYVPGUOPQMBGL-UHFFFAOYSA-N 1 0 248.286 1.199 20 10 BDCDRO CN(CC[NH2+]Cc1ccccc1O)CC(F)F ZINC000858336605 588947222 /nfs/dbraw/zinc/94/72/22/588947222.db2.gz NFQXVPHVFKKXAZ-UHFFFAOYSA-N 1 0 244.285 1.679 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897681623 584039255 /nfs/dbraw/zinc/03/92/55/584039255.db2.gz XSTYFWGMVUACMM-CMPLNLGQSA-N 1 0 221.300 1.513 20 10 BDCDRO Oc1ccccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873215439 584127356 /nfs/dbraw/zinc/12/73/56/584127356.db2.gz AJKAGDXBRIRWQG-TXEJJXNPSA-N 1 0 218.300 1.328 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1CNOC1 ZINC000904424129 584881029 /nfs/dbraw/zinc/88/10/29/584881029.db2.gz NAMXRWWDRHVLNA-LBPRGKRZSA-N 1 0 235.331 1.054 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCCN(C)C1 ZINC000876962101 584888276 /nfs/dbraw/zinc/88/82/76/584888276.db2.gz MCVFUBXXZNIEDZ-GFCCVEGCSA-N 1 0 234.343 1.884 20 10 BDCDRO CC[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945166 584992046 /nfs/dbraw/zinc/99/20/46/584992046.db2.gz WARRLEVCSNVKJT-PWSUYJOCSA-N 1 0 238.306 1.934 20 10 BDCDRO Cc1cc(O)c(C[N@@H+](C)C2CC(O)C2)cc1C ZINC000761220800 585412509 /nfs/dbraw/zinc/41/25/09/585412509.db2.gz YKAURYZNFMYPAJ-UHFFFAOYSA-N 1 0 235.327 1.964 20 10 BDCDRO CC[N@H+](CCC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000764334215 585463733 /nfs/dbraw/zinc/46/37/33/585463733.db2.gz AMVRLENGLXIQOG-UHFFFAOYSA-N 1 0 249.358 1.450 20 10 BDCDRO CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@H]2O ZINC000768441259 585538536 /nfs/dbraw/zinc/53/85/36/585538536.db2.gz YAHCFTOKPNERCU-GFCCVEGCSA-N 1 0 237.299 1.660 20 10 BDCDRO C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465788 585539137 /nfs/dbraw/zinc/53/91/37/585539137.db2.gz LHKXTFYXLQIWMY-ZANVPECISA-N 1 0 249.310 1.802 20 10 BDCDRO COc1cccc(C[N@H+](C)Cc2cn[nH]c2)c1O ZINC000769425002 585556134 /nfs/dbraw/zinc/55/61/34/585556134.db2.gz NIQQKBUYSCRZPE-UHFFFAOYSA-N 1 0 247.298 1.756 20 10 BDCDRO Cc1cccc(CN2CCc3c[nH]nc3C2)c1O ZINC000775712081 585683538 /nfs/dbraw/zinc/68/35/38/585683538.db2.gz DGBSERZVMHKNHX-UHFFFAOYSA-N 1 0 243.310 1.982 20 10 BDCDRO OC[C@H](CC1CC1)[NH2+]Cc1cc(F)ccc1O ZINC000779099588 585745186 /nfs/dbraw/zinc/74/51/86/585745186.db2.gz LEECHLACNFDGFI-LBPRGKRZSA-N 1 0 239.290 1.782 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788266744 585919781 /nfs/dbraw/zinc/91/97/81/585919781.db2.gz BIEMVSZAHQVWEI-ZYHUDNBSSA-N 1 0 221.300 1.656 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCC[C@@H](C)O ZINC000788524829 585926256 /nfs/dbraw/zinc/92/62/56/585926256.db2.gz VQPLOHZJKRAACG-SNVBAGLBSA-N 1 0 239.315 1.651 20 10 BDCDRO COC1(C)C[NH+](Cc2ccccc2O)C1 ZINC000813332317 586600372 /nfs/dbraw/zinc/60/03/72/586600372.db2.gz VBOBZAPTGRPSEK-UHFFFAOYSA-N 1 0 207.273 1.613 20 10 BDCDRO C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2O)C1 ZINC000816912363 586771084 /nfs/dbraw/zinc/77/10/84/586771084.db2.gz URTYMWAWOSWRCB-NSHDSACASA-N 1 0 248.326 1.350 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817894130 586833838 /nfs/dbraw/zinc/83/38/38/586833838.db2.gz BYCDORRBKJPBFS-UONOGXRCSA-N 1 0 233.359 1.722 20 10 BDCDRO CC[C@H]([NH2+]CCN)c1ccc(C)cc1O ZINC000817934282 586843548 /nfs/dbraw/zinc/84/35/48/586843548.db2.gz FYROUMLXLOXEMT-NSHDSACASA-N 1 0 208.305 1.700 20 10 BDCDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817940478 586845536 /nfs/dbraw/zinc/84/55/36/586845536.db2.gz ICLBGZVTQSBFHF-KOLCDFICSA-N 1 0 238.306 1.934 20 10 BDCDRO Oc1cccc2c1[C@H](N[C@H]1CC[NH2+]C1)CC2 ZINC000817944610 586846576 /nfs/dbraw/zinc/84/65/76/586846576.db2.gz IAOHRXDULMPLMM-WDEREUQCSA-N 1 0 218.300 1.331 20 10 BDCDRO C[C@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)CCO1 ZINC000817956438 586850350 /nfs/dbraw/zinc/85/03/50/586850350.db2.gz YYPPZWLLNXKDNF-SMDDNHRTSA-N 1 0 234.343 1.968 20 10 BDCDRO C[C@@H](CCCCO)[NH2+]CCc1ccc(N)cc1 ZINC000817958465 586850490 /nfs/dbraw/zinc/85/04/90/586850490.db2.gz WFYAFYVJKJUHRM-LBPRGKRZSA-N 1 0 236.359 1.952 20 10 BDCDRO CCC[NH2+]CCN[C@@H]1CCc2cccc(O)c21 ZINC000817963662 586854185 /nfs/dbraw/zinc/85/41/85/586854185.db2.gz WWUYSOKIMVMJEN-GFCCVEGCSA-N 1 0 234.343 1.969 20 10 BDCDRO CC[C@H]([NH2+][C@H](C)CN)c1ccccc1O ZINC000817966342 586855340 /nfs/dbraw/zinc/85/53/40/586855340.db2.gz LUGZHJJYHNTOLY-KOLCDFICSA-N 1 0 208.305 1.780 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817977117 586859936 /nfs/dbraw/zinc/85/99/36/586859936.db2.gz BQNXHWPDZLZDLP-HLTSFMKQSA-N 1 0 226.295 1.918 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC000825279035 587312793 /nfs/dbraw/zinc/31/27/93/587312793.db2.gz LRRWIQFTDKJAAG-CMPLNLGQSA-N 1 0 248.326 1.444 20 10 BDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000827501269 587384276 /nfs/dbraw/zinc/38/42/76/587384276.db2.gz STIFPVKVQDDTKL-PHIMTYICSA-N 1 0 235.283 1.433 20 10 BDCDRO CN(C)c1ccc([C@@H]([NH3+])CNC(=O)C2CC2)cc1 ZINC000832286137 587653323 /nfs/dbraw/zinc/65/33/23/587653323.db2.gz WPKWOFLQFMSWPN-ZDUSSCGKSA-N 1 0 247.342 1.279 20 10 BDCDRO Nc1ccc(CC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000834598290 587760291 /nfs/dbraw/zinc/76/02/91/587760291.db2.gz AWRKAKSVCZUXQR-STQMWFEESA-N 1 0 247.342 1.197 20 10 BDCDRO CN(C)c1ccc(/C=C\CN(C)CC(N)=O)cc1 ZINC000835025745 587779023 /nfs/dbraw/zinc/77/90/23/587779023.db2.gz MOHUWNDIYZVTBQ-PLNGDYQASA-N 1 0 247.342 1.183 20 10 BDCDRO C[C@@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835043839 587779341 /nfs/dbraw/zinc/77/93/41/587779341.db2.gz UDEPFRLSWMRNEY-ITKZLYELSA-N 1 0 234.343 1.736 20 10 BDCDRO Oc1ccc(F)cc1CNC[C@H]1CCCC[NH2+]1 ZINC000841032988 587936908 /nfs/dbraw/zinc/93/69/08/587936908.db2.gz LJCDORZLEHISME-GFCCVEGCSA-N 1 0 238.306 1.763 20 10 BDCDRO COC[C@@H](C)C[NH2+]CCc1ccc(N)cc1 ZINC000841038929 587938286 /nfs/dbraw/zinc/93/82/86/587938286.db2.gz UYYYOGRAEBEPEY-NSHDSACASA-N 1 0 222.332 1.683 20 10 BDCDRO [NH3+][C@@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000841048047 587938988 /nfs/dbraw/zinc/93/89/88/587938988.db2.gz BKAFASKGXAMUJI-NSHDSACASA-N 1 0 240.734 1.873 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2CCC[NH2+]C2)c1 ZINC000841043052 587939335 /nfs/dbraw/zinc/93/93/35/587939335.db2.gz NLLIFEQHXKWEMN-LBPRGKRZSA-N 1 0 220.316 1.542 20 10 BDCDRO Oc1cccc(Cl)c1CN[C@@H]1CC[NH2+]C1 ZINC000841044804 587939361 /nfs/dbraw/zinc/93/93/61/587939361.db2.gz INKGFHOXZKRBPV-MRVPVSSYSA-N 1 0 226.707 1.497 20 10 BDCDRO C[C@@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841050202 587940039 /nfs/dbraw/zinc/94/00/39/587940039.db2.gz ZRIDKBJJUJGVJY-ZETCQYMHSA-N 1 0 246.713 1.869 20 10 BDCDRO COc1ccc(CNCC(F)(F)CN)cc1C ZINC000841059432 587940712 /nfs/dbraw/zinc/94/07/12/587940712.db2.gz DAGILALQIDSULF-UHFFFAOYSA-N 1 0 244.285 1.687 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1ccc2c(c1)CCO2 ZINC000841064246 587941333 /nfs/dbraw/zinc/94/13/33/587941333.db2.gz AEZRQUGPISVACW-LLVKDONJSA-N 1 0 234.343 1.709 20 10 BDCDRO CCOc1ccc(C[NH2+][C@@H](C)CN)c(O)c1 ZINC000841064210 587942186 /nfs/dbraw/zinc/94/21/86/587942186.db2.gz VQNDBWZDISUWSS-VIFPVBQESA-N 1 0 224.304 1.228 20 10 BDCDRO CC[C@@H]([NH3+])C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841071339 587942980 /nfs/dbraw/zinc/94/29/80/587942980.db2.gz DIWCNMZYVQXFEE-SECBINFHSA-N 1 0 228.723 1.873 20 10 BDCDRO CC(C)(C)[C@H](CN)[NH2+]Cc1ccccc1O ZINC000841087651 587945716 /nfs/dbraw/zinc/94/57/16/587945716.db2.gz PGUYILTZGPVZMU-LBPRGKRZSA-N 1 0 222.332 1.855 20 10 BDCDRO CN(C(=O)Cc1ccc(N)cc1)[C@@H](C[NH3+])C1CC1 ZINC000842511832 588032109 /nfs/dbraw/zinc/03/21/09/588032109.db2.gz YTLATCBVJWTFIE-ZDUSSCGKSA-N 1 0 247.342 1.007 20 10 BDCDRO C[NH2+][C@H](C)Cc1noc(Cc2ccc(N)cc2)n1 ZINC000842621742 588046399 /nfs/dbraw/zinc/04/63/99/588046399.db2.gz DBADWBBFVQFGAL-SECBINFHSA-N 1 0 246.314 1.393 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843051421 588076783 /nfs/dbraw/zinc/07/67/83/588076783.db2.gz HFVBPQZNKFFJFL-BXKDBHETSA-N 1 0 238.306 1.700 20 10 BDCDRO C[NH2+]CCN(C)Cc1ccc(N(C)C)cc1C ZINC000843057361 588077678 /nfs/dbraw/zinc/07/76/78/588077678.db2.gz JGNABIYNHHRBFY-UHFFFAOYSA-N 1 0 235.375 1.712 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cc(F)ccc1O ZINC000843063400 588078726 /nfs/dbraw/zinc/07/87/26/588078726.db2.gz AVBMVXBJKDHEBZ-AOOOYVTPSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN(C)C1C[NH2+]C1 ZINC000843125810 588084622 /nfs/dbraw/zinc/08/46/22/588084622.db2.gz AGVFPGLNEFCZOE-UHFFFAOYSA-N 1 0 233.359 1.465 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H](Nc2ccc(N)cc2)C1 ZINC000843126669 588084701 /nfs/dbraw/zinc/08/47/01/588084701.db2.gz SOEGIIHVRNLVDY-JOYOIKCWSA-N 1 0 205.305 1.679 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000846661766 588281565 /nfs/dbraw/zinc/28/15/65/588281565.db2.gz GDPWTPNRDGVVSB-STQMWFEESA-N 1 0 245.326 1.738 20 10 BDCDRO Cc1cccc(CN[C@H](C[NH3+])C(F)(F)F)c1O ZINC000848714679 588407930 /nfs/dbraw/zinc/40/79/30/588407930.db2.gz SHZIDEKWAUQOSY-SECBINFHSA-N 1 0 248.248 1.680 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000848715551 588407951 /nfs/dbraw/zinc/40/79/51/588407951.db2.gz DULXKSXVFKNOAT-JTQLQIEISA-N 1 0 248.248 1.680 20 10 BDCDRO Nc1ccc(N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848715188 588407981 /nfs/dbraw/zinc/40/79/81/588407981.db2.gz PSWZBZUJYRCSDI-ZYHUDNBSSA-N 1 0 205.305 1.951 20 10 BDCDRO CCc1cccc(C[N@H+](C)[C@H](C)CO)c1O ZINC000848909909 588419749 /nfs/dbraw/zinc/41/97/49/588419749.db2.gz CNEADEASHCGXNO-SNVBAGLBSA-N 1 0 223.316 1.767 20 10 BDCDRO COc1cccc(CNC(=[NH2+])N2CCC2)c1O ZINC000849002733 588431239 /nfs/dbraw/zinc/43/12/39/588431239.db2.gz SOJYCVIGYMGVGD-UHFFFAOYSA-N 1 0 235.287 1.131 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC1=[NH+]C[C@H](C)N1 ZINC000849009172 588434256 /nfs/dbraw/zinc/43/42/56/588434256.db2.gz IBNDGDFVFWUHBV-NSHDSACASA-N 1 0 246.358 1.498 20 10 BDCDRO CON(C)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000850478991 588550751 /nfs/dbraw/zinc/55/07/51/588550751.db2.gz JNMRUSWEKBEJLF-VIFPVBQESA-N 1 0 242.294 1.675 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccc(N(C)C)cc1 ZINC000850581726 588561655 /nfs/dbraw/zinc/56/16/55/588561655.db2.gz YJZIETOCHFVXQO-MPKXVKKWSA-N 1 0 234.343 1.927 20 10 BDCDRO CC(C)[NH2+]CC(=O)Nc1ccc(N)cc1 ZINC000851633689 588612207 /nfs/dbraw/zinc/61/22/07/588612207.db2.gz QCUHBDXELYPHMN-UHFFFAOYSA-N 1 0 207.277 1.205 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1 ZINC000852537523 588689066 /nfs/dbraw/zinc/68/90/66/588689066.db2.gz GTHBSBYJBJIIJS-DZGCQCFKSA-N 1 0 246.354 1.709 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cccc(F)c1O ZINC000863482970 589292449 /nfs/dbraw/zinc/29/24/49/589292449.db2.gz JKCGVCRCOAHFAN-NWDGAFQWSA-N 1 0 238.306 1.761 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)C(F)(F)F ZINC000865711767 589458051 /nfs/dbraw/zinc/45/80/51/589458051.db2.gz QIGBYQYMOODXPY-XCBNKYQSSA-N 1 0 249.232 1.794 20 10 BDCDRO [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2O)CC1 ZINC000870876606 589693807 /nfs/dbraw/zinc/69/38/07/589693807.db2.gz VGTXFGYIJJJKDM-KLPPZKSPSA-N 1 0 248.326 1.526 20 10 BDCDRO C[NH2+]CCCC(=O)N[C@H](C)c1ccccc1O ZINC000870988219 589706663 /nfs/dbraw/zinc/70/66/63/589706663.db2.gz JDYFVZJBFYRFFZ-SNVBAGLBSA-N 1 0 236.315 1.569 20 10 BDCDRO C[C@@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1O ZINC000870987724 589707043 /nfs/dbraw/zinc/70/70/43/589707043.db2.gz BJXJBQZWNQWHAP-SNVBAGLBSA-N 1 0 248.326 1.569 20 10 BDCDRO Oc1ccccc1CN[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000873229693 590001648 /nfs/dbraw/zinc/00/16/48/590001648.db2.gz DVJZGEWFALIQDO-ZIAGYGMSSA-N 1 0 232.327 1.766 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000873259038 590012850 /nfs/dbraw/zinc/01/28/50/590012850.db2.gz XVIWMGVYNDIWFG-QXEWZRGKSA-N 1 0 238.306 1.919 20 10 BDCDRO CCN(CCC[NH3+])c1ccc(OC)c(OC)c1 ZINC000020239377 590090549 /nfs/dbraw/zinc/09/05/49/590090549.db2.gz YQWXQVRVYIBHJL-UHFFFAOYSA-N 1 0 238.331 1.879 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](CCO)C1CC1 ZINC000876580018 590218682 /nfs/dbraw/zinc/21/86/82/590218682.db2.gz OXELWSOFGGLJPP-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO COCC[N@H+](CCO)Cc1ccc(C)cc1O ZINC000876682180 590230540 /nfs/dbraw/zinc/23/05/40/590230540.db2.gz DYYZSWICVAIBHJ-UHFFFAOYSA-N 1 0 239.315 1.141 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H]1O ZINC000876815175 590245830 /nfs/dbraw/zinc/24/58/30/590245830.db2.gz NMDXWJLVJMEFJM-RISCZKNCSA-N 1 0 235.327 1.903 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1O ZINC000876814352 590245881 /nfs/dbraw/zinc/24/58/81/590245881.db2.gz DZQCRRINBWYFHW-RISCZKNCSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[NH2+]CCn2cccn2)c(O)c1 ZINC000876959751 590261654 /nfs/dbraw/zinc/26/16/54/590261654.db2.gz OONSCNCLOOMGPH-UHFFFAOYSA-N 1 0 231.299 1.687 20 10 BDCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(N)cc1 ZINC000877074203 590278282 /nfs/dbraw/zinc/27/82/82/590278282.db2.gz BXLIBDTXELMHPU-LLVKDONJSA-N 1 0 231.299 1.279 20 10 BDCDRO CN(C(=O)CC1(C[NH3+])CC1)c1ccc(N)cc1 ZINC000877076578 590278949 /nfs/dbraw/zinc/27/89/49/590278949.db2.gz RKBNYCUGTQGZFE-UHFFFAOYSA-N 1 0 233.315 1.361 20 10 BDCDRO CN(C(=O)C[NH2+]CC1CC1)c1ccc(N)cc1 ZINC000877078813 590279253 /nfs/dbraw/zinc/27/92/53/590279253.db2.gz GEDKUVJVXNOQHG-UHFFFAOYSA-N 1 0 233.315 1.231 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCN1CCCC1 ZINC000877142040 590291736 /nfs/dbraw/zinc/29/17/36/590291736.db2.gz IIXZLCYZFVHCPA-UHFFFAOYSA-N 1 0 234.343 1.886 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@@H](C)O)c(O)c1 ZINC000877195863 590299658 /nfs/dbraw/zinc/29/96/58/590299658.db2.gz PBDIYTNQKWHZFV-WDEREUQCSA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@@H](NC(=O)CC1([NH3+])CC1)c1ccccc1O ZINC000877255696 590304453 /nfs/dbraw/zinc/30/44/53/590304453.db2.gz HHJIMAKYKNBCOA-SECBINFHSA-N 1 0 234.299 1.451 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1ccc(C)cc1O ZINC000877469785 590334858 /nfs/dbraw/zinc/33/48/58/590334858.db2.gz ZAMYBVQXGWVBDY-UHFFFAOYSA-N 1 0 222.288 1.008 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)c2ncnn2C)c(O)c1 ZINC000877469783 590335237 /nfs/dbraw/zinc/33/52/37/590335237.db2.gz YZGJLWRXBPDSFG-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](CO)CCF ZINC000877614629 590373978 /nfs/dbraw/zinc/37/39/78/590373978.db2.gz KCMKEEZAAMXFPB-SNVBAGLBSA-N 1 0 227.279 1.511 20 10 BDCDRO COc1cc(C[NH2+]Cc2c(C)cccc2O)on1 ZINC000877635567 590380639 /nfs/dbraw/zinc/38/06/39/590380639.db2.gz WOWGKEDCKRTYBY-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO Cc1ccc(C[NH2+]CC2COC2)c(O)c1 ZINC000877657238 590386304 /nfs/dbraw/zinc/38/63/04/590386304.db2.gz BIGKLYAIIRTWTI-UHFFFAOYSA-N 1 0 207.273 1.437 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H](O)C(F)F ZINC000877676651 590390307 /nfs/dbraw/zinc/39/03/07/590390307.db2.gz AHZIBVBBQJLQAZ-LLVKDONJSA-N 1 0 245.269 1.806 20 10 BDCDRO C[C@@H]([NH2+]CC[C@H]1CCOC1=O)c1ccccc1O ZINC000879648487 590842440 /nfs/dbraw/zinc/84/24/40/590842440.db2.gz RCVVZUFPHCBRKU-MNOVXSKESA-N 1 0 249.310 1.996 20 10 BDCDRO Cc1cc(C[N@@H+]2CC=C[C@@H]2CO)ccc1N(C)C ZINC000880492669 591070078 /nfs/dbraw/zinc/07/00/78/591070078.db2.gz UTVAHMDVBLACON-CQSZACIVSA-N 1 0 246.354 1.794 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000128864404 591170209 /nfs/dbraw/zinc/17/02/09/591170209.db2.gz LMCWZHNCFKZXKL-NSHDSACASA-N 1 0 236.315 1.195 20 10 BDCDRO CCOc1cccc(C[NH2+][C@H]2CCOC2)c1O ZINC000131160017 591560629 /nfs/dbraw/zinc/56/06/29/591560629.db2.gz LXOCWNOPANIRLM-NSHDSACASA-N 1 0 237.299 1.669 20 10 BDCDRO CC[C@H]([NH2+][C@H](C)CC(N)=O)c1ccccc1O ZINC000136101011 592093690 /nfs/dbraw/zinc/09/36/90/592093690.db2.gz XFJLXWAYNKYDFC-KOLCDFICSA-N 1 0 236.315 1.697 20 10 BDCDRO C[C@H]1CN(Cc2cc(F)ccc2O)CC[NH2+]1 ZINC000226561645 635436767 /nfs/dbraw/zinc/43/67/67/635436767.db2.gz XSMIRUOLBNEZCM-VIFPVBQESA-N 1 0 224.279 1.325 20 10 BDCDRO CC(=O)NCC[N@@H+](C)Cc1cc(C)ccc1O ZINC000308310644 631276939 /nfs/dbraw/zinc/27/69/39/631276939.db2.gz RBICXYIJYKLSAD-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1ccc(N(C)C)cc1 ZINC000162187702 632541669 /nfs/dbraw/zinc/54/16/69/632541669.db2.gz HSMYDNAVSBTCDV-LLVKDONJSA-N 1 0 221.348 1.450 20 10 BDCDRO C[C@H]1CN(Cc2cccc(F)c2O)CC[NH2+]1 ZINC000309828579 632671737 /nfs/dbraw/zinc/67/17/37/632671737.db2.gz XWPSNDGTKIIDCI-VIFPVBQESA-N 1 0 224.279 1.325 20 10 BDCDRO C[NH2+]C1CCN(Cc2cc(F)ccc2O)CC1 ZINC000310495305 632751380 /nfs/dbraw/zinc/75/13/80/632751380.db2.gz POABWXUCWONUHM-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CC(N)=O)c(O)c1 ZINC000168830226 633149138 /nfs/dbraw/zinc/14/91/38/633149138.db2.gz UWARYVFRIYZWSG-ZJUUUORDSA-N 1 0 236.315 1.615 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168830317 633150176 /nfs/dbraw/zinc/15/01/76/633150176.db2.gz DSQBONJJNUCYSL-YUMQZZPRSA-N 1 0 240.278 1.446 20 10 BDCDRO C[NH2+]C[C@H]1CCCN1Cc1ccccc1O ZINC000169233844 633158752 /nfs/dbraw/zinc/15/87/52/633158752.db2.gz JPUWJPNXZJGZHY-GFCCVEGCSA-N 1 0 220.316 1.576 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)C(C)(C)O)c1O ZINC000309779557 633733149 /nfs/dbraw/zinc/73/31/49/633733149.db2.gz MPDLTCPQGDYCTR-SNVBAGLBSA-N 1 0 223.316 1.950 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCSC1 ZINC000309886468 633903159 /nfs/dbraw/zinc/90/31/59/633903159.db2.gz YQYBRBBVXMLRKL-SECBINFHSA-N 1 0 239.340 1.996 20 10 BDCDRO COCC1([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000309648959 633982851 /nfs/dbraw/zinc/98/28/51/633982851.db2.gz NJYOZCPGWAQYKM-UHFFFAOYSA-N 1 0 225.263 1.800 20 10 BDCDRO CCOc1cccc(CN(C)C[C@H](C)[NH3+])c1O ZINC000310327574 634122066 /nfs/dbraw/zinc/12/20/66/634122066.db2.gz ZGYUFLQMXBNJLQ-JTQLQIEISA-N 1 0 238.331 1.570 20 10 BDCDRO c1cc2c(cc1C[NH2+]C[C@@H]1COCO1)CCCO2 ZINC000894891077 635999483 /nfs/dbraw/zinc/99/94/83/635999483.db2.gz YCCBMQSCCSYGJR-CYBMUJFWSA-N 1 0 249.310 1.474 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H]1CNC(=O)C1 ZINC000896897765 636246304 /nfs/dbraw/zinc/24/63/04/636246304.db2.gz VPDHYMCSFXDQON-NSHDSACASA-N 1 0 248.326 1.316 20 10 BDCDRO CCOc1ccc(C[NH2+]CC2([NH3+])CC2)c(O)c1 ZINC000904448591 637412623 /nfs/dbraw/zinc/41/26/23/637412623.db2.gz AEDZTYFSQFYDCG-UHFFFAOYSA-N 1 0 236.315 1.372 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2CC([NH3+])C2)c1 ZINC000906510054 638182002 /nfs/dbraw/zinc/18/20/02/638182002.db2.gz LWCRQDCHOVNAAK-UHFFFAOYSA-N 1 0 206.289 1.280 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2ccccc2O)C1 ZINC000150072671 639300521 /nfs/dbraw/zinc/30/05/21/639300521.db2.gz IDSHHPOBDOBUNO-NSHDSACASA-N 1 0 206.289 1.186 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]C1COCCOC1)CC2 ZINC000311140330 640421051 /nfs/dbraw/zinc/42/10/51/640421051.db2.gz GALHMSLMFUFHDS-GFCCVEGCSA-N 1 0 249.310 1.385 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000163989078 640434738 /nfs/dbraw/zinc/43/47/38/640434738.db2.gz SGYYXRHVLZMHHR-NXEZZACHSA-N 1 0 239.315 1.822 20 10 BDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000164283657 640470316 /nfs/dbraw/zinc/47/03/16/640470316.db2.gz PLKJBBSHETZSRS-UHFFFAOYSA-N 1 0 248.326 1.331 20 10 BDCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccccc1O ZINC000164460816 640483372 /nfs/dbraw/zinc/48/33/72/640483372.db2.gz HSAHIEWZJYYFIA-NXEZZACHSA-N 1 0 209.289 1.641 20 10 BDCDRO C[C@H](O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226609664 640777675 /nfs/dbraw/zinc/77/76/75/640777675.db2.gz GFGREOGAZQLDMR-QMMMGPOBSA-N 1 0 213.252 1.392 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)O)c1 ZINC000228086009 640860023 /nfs/dbraw/zinc/86/00/23/640860023.db2.gz ZFMRZCCVIVUSTI-NXEZZACHSA-N 1 0 239.315 1.650 20 10 BDCDRO [NH3+][C@H](CC(=O)NCc1ccccc1O)C1CC1 ZINC000228420859 640874194 /nfs/dbraw/zinc/87/41/94/640874194.db2.gz MGRQTAKDKFVERG-LLVKDONJSA-N 1 0 234.299 1.136 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000229967806 641000789 /nfs/dbraw/zinc/00/07/89/641000789.db2.gz SSZWIXLXZWTGJI-MRVPVSSYSA-N 1 0 229.707 1.906 20 10 BDCDRO COCC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000062734861 641084944 /nfs/dbraw/zinc/08/49/44/641084944.db2.gz YFCNBJXLAZYCGR-UHFFFAOYSA-N 1 0 226.295 1.628 20 10 BDCDRO COC1CC([NH2+]Cc2cc(C)ccc2O)C1 ZINC000230690213 641086372 /nfs/dbraw/zinc/08/63/72/641086372.db2.gz XPDOVUZQTIUJQW-UHFFFAOYSA-N 1 0 221.300 1.968 20 10 BDCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825883 641537765 /nfs/dbraw/zinc/53/77/65/641537765.db2.gz IXCMILYGPWOQQA-GFCCVEGCSA-N 1 0 235.331 1.106 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@H](C)C2)c1 ZINC000190068727 641833236 /nfs/dbraw/zinc/83/32/36/641833236.db2.gz DMQRZQCTPULYJG-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1C ZINC000179579608 642728729 /nfs/dbraw/zinc/72/87/29/642728729.db2.gz QZQCGTQRPXTBNS-GFCCVEGCSA-N 1 0 248.326 1.459 20 10 BDCDRO CSCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000068890384 642807388 /nfs/dbraw/zinc/80/73/88/642807388.db2.gz VATPSYSUSFNAKJ-UHFFFAOYSA-N 1 0 241.312 1.574 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C)C2)c1 ZINC000070955322 643086927 /nfs/dbraw/zinc/08/69/27/643086927.db2.gz SAZLFWCJCKWSAB-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2ncc[nH]2)c1 ZINC000070992039 643091654 /nfs/dbraw/zinc/09/16/54/643091654.db2.gz DHSVVETUDJPEHK-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO COc1ccc(O)c(CN(C)[C@H]2CC[NH2+]C2)c1 ZINC000071309762 643122029 /nfs/dbraw/zinc/12/20/29/643122029.db2.gz BZESCHRREFKYOX-NSHDSACASA-N 1 0 236.315 1.195 20 10 BDCDRO COc1ccc(N(C)C[C@H]2CCC[NH2+]2)cc1 ZINC000049969900 643572545 /nfs/dbraw/zinc/57/25/45/643572545.db2.gz AAXOUYGHBSQDHQ-LLVKDONJSA-N 1 0 220.316 1.883 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H]2CNC(=O)C2)c1 ZINC000922781726 644095159 /nfs/dbraw/zinc/09/51/59/644095159.db2.gz SHQIJGSLKWMXSC-NSHDSACASA-N 1 0 248.326 1.316 20 10 BDCDRO CCOCCOCC[NH2+]Cc1ccccc1O ZINC000922941987 644195690 /nfs/dbraw/zinc/19/56/90/644195690.db2.gz RXHMAQGEFBHBRB-UHFFFAOYSA-N 1 0 239.315 1.535 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2ccn(C)n2)c1 ZINC000096585158 644823189 /nfs/dbraw/zinc/82/31/89/644823189.db2.gz YADSRTZPZKFZBE-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO NC(=O)CC[NH2+]CCCSc1nccs1 ZINC000819064212 645002993 /nfs/dbraw/zinc/00/29/93/645002993.db2.gz UJESKTWPHCLMFF-UHFFFAOYSA-N 1 0 245.373 1.090 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](CO)CCF)c1 ZINC000846097065 645405316 /nfs/dbraw/zinc/40/53/16/645405316.db2.gz MRMPUDYGFGJBLT-NSHDSACASA-N 1 0 227.279 1.511 20 10 BDCDRO Cc1ccc([C@H](C)N[C@@H]2C[NH2+]C[C@H]2C)c(O)c1 ZINC000925785470 646481457 /nfs/dbraw/zinc/48/14/57/646481457.db2.gz PIIHZPAOYXXLPV-NTZNESFSSA-N 1 0 234.343 1.959 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CNOC2)c(O)c1C ZINC000925868572 646520869 /nfs/dbraw/zinc/52/08/69/646520869.db2.gz DCHJCSIXERGAJR-MNOVXSKESA-N 1 0 236.315 1.563 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2C[C@H](O)C2)c1 ZINC000720978912 712885221 /nfs/dbraw/zinc/88/52/21/712885221.db2.gz WLKHEBILGAZMLB-UMSPYCQHSA-N 1 0 221.300 1.561 20 10 BDCDRO CC(C)([NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000381577145 710656912 /nfs/dbraw/zinc/65/69/12/710656912.db2.gz YUKXPCRKGINRHZ-UHFFFAOYSA-N 1 0 207.277 1.335 20 10 BDCDRO COC[C@@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000382548966 710972455 /nfs/dbraw/zinc/97/24/55/710972455.db2.gz GWHJOWAVEJKDJA-MFKMUULPSA-N 1 0 239.315 1.440 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](C)O ZINC000386857608 711038117 /nfs/dbraw/zinc/03/81/17/711038117.db2.gz JBHXACFPALARIC-GXFFZTMASA-N 1 0 235.327 1.871 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cn(C)nn2)c1 ZINC000389800322 711089673 /nfs/dbraw/zinc/08/96/73/711089673.db2.gz AFJZHCIBQHNUHQ-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccccc1O ZINC000398363915 711409407 /nfs/dbraw/zinc/40/94/07/711409407.db2.gz YXXMYUUUDVFAQI-ZJUUUORDSA-N 1 0 234.299 1.179 20 10 BDCDRO CC[C@H]([NH2+]Cc1cnn(C)n1)c1ccccc1O ZINC000389817907 711091204 /nfs/dbraw/zinc/09/12/04/711091204.db2.gz VAKURPBJHGXLKG-LBPRGKRZSA-N 1 0 246.314 1.762 20 10 BDCDRO c1cc(C[NH2+][C@@H]2CCOC2)cc2c1OCC2 ZINC000087416064 711835350 /nfs/dbraw/zinc/83/53/50/711835350.db2.gz GSXJJJVEYWLXIA-GFCCVEGCSA-N 1 0 219.284 1.500 20 10 BDCDRO CO[C@@H](C)C[N@H+](C)Cc1ccccc1O ZINC000182334432 711894914 /nfs/dbraw/zinc/89/49/14/711894914.db2.gz CNFQWZFFEYJTNV-JTQLQIEISA-N 1 0 209.289 1.859 20 10 BDCDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710894172 712262020 /nfs/dbraw/zinc/26/20/20/712262020.db2.gz UBGSNECJFNWOOJ-GXFFZTMASA-N 1 0 233.311 1.746 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCN2C)c1 ZINC000712585343 712434010 /nfs/dbraw/zinc/43/40/10/712434010.db2.gz FXJBYBMHLMNTFL-LLVKDONJSA-N 1 0 236.315 1.195 20 10 BDCDRO CN1CC[C@@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000712569758 712447011 /nfs/dbraw/zinc/44/70/11/712447011.db2.gz CFEDBZDGEAIKGZ-LLVKDONJSA-N 1 0 240.734 1.839 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC[C@H](O)C(F)F)c1 ZINC000716711904 712570717 /nfs/dbraw/zinc/57/07/17/712570717.db2.gz IUZZHYZWLDNVNU-NSHDSACASA-N 1 0 245.269 1.806 20 10 BDCDRO Cc1cc(Cl)cc(C[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000827826261 712593711 /nfs/dbraw/zinc/59/37/11/712593711.db2.gz ANRMZGUCNCBXGT-XYPYZODXSA-N 1 0 241.718 1.967 20 10 BDCDRO CCc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC000848877098 712610071 /nfs/dbraw/zinc/61/00/71/712610071.db2.gz PUKSHDAYTSSLCN-ZDUSSCGKSA-N 1 0 235.327 1.911 20 10 BDCDRO CN1CC[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000380211688 712726519 /nfs/dbraw/zinc/72/65/19/712726519.db2.gz HYELYVPSKVIFFA-NWDGAFQWSA-N 1 0 232.327 1.673 20 10 BDCDRO COc1cccc(C[NH2+][C@]23C[C@H]2COC3)c1O ZINC000717984799 712735443 /nfs/dbraw/zinc/73/54/43/712735443.db2.gz BMYRHNQIBIQOKM-GWCFXTLKSA-N 1 0 235.283 1.279 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000718148378 712748718 /nfs/dbraw/zinc/74/87/18/712748718.db2.gz TWYQHLXQKANNIU-TXEJJXNPSA-N 1 0 249.310 1.479 20 10 BDCDRO C[C@@H]1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1C ZINC000719621395 712817689 /nfs/dbraw/zinc/81/76/89/712817689.db2.gz ZVVBUEIJJDPUQL-SKDRFNHKSA-N 1 0 238.306 1.714 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1ccccc1O ZINC000720934539 712880235 /nfs/dbraw/zinc/88/02/35/712880235.db2.gz DDHSKTPLTPNWFL-GARJFASQSA-N 1 0 221.300 1.814 20 10 BDCDRO CC[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC ZINC000697916457 964679585 /nfs/dbraw/zinc/67/95/85/964679585.db2.gz LVBDZPYDOYXYNY-ONGXEEELSA-N 1 0 236.315 1.567 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(Cl)cc1O ZINC001236900205 966615857 /nfs/dbraw/zinc/61/58/57/966615857.db2.gz QGAJIRIRXHLIQQ-QMMMGPOBSA-N 1 0 228.723 1.825 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1O ZINC001203549944 966678656 /nfs/dbraw/zinc/67/86/56/966678656.db2.gz DMYWUJBDVWFBFE-ZWNOBZJWSA-N 1 0 221.300 1.595 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000877607927 983955869 /nfs/dbraw/zinc/95/58/69/983955869.db2.gz OBFIIFDQGUOLJU-QWRGUYRKSA-N 1 0 221.300 1.968 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC001140178136 957719657 /nfs/dbraw/zinc/71/96/57/957719657.db2.gz AFEOSYBUWKMHSQ-GFCCVEGCSA-N 1 0 235.327 1.966 20 10 BDCDRO CN1CC[C@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000309236589 959802394 /nfs/dbraw/zinc/80/23/94/959802394.db2.gz CAEZGBBVLKLTPD-LBPRGKRZSA-N 1 0 220.316 1.528 20 10 BDCDRO [NH3+][C@@H]1CC=C(C(=O)NCc2ccccc2O)C1 ZINC000695750996 960425198 /nfs/dbraw/zinc/42/51/98/960425198.db2.gz BBHOGQCXNARDKE-LLVKDONJSA-N 1 0 232.283 1.056 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)C2(C)COC2)c1 ZINC001140623600 960464102 /nfs/dbraw/zinc/46/41/02/960464102.db2.gz XTTDQBULNFARQR-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC001140742193 960544090 /nfs/dbraw/zinc/54/40/90/960544090.db2.gz JUGJOIKPKARFQN-LLVKDONJSA-N 1 0 237.299 1.363 20 10 BDCDRO Cc1c(O)ccc(CN2CCC(=O)[C@H](C)C2)c1O ZINC001140742034 960545515 /nfs/dbraw/zinc/54/55/15/960545515.db2.gz HUFIQMHEWBKZSR-SECBINFHSA-N 1 0 249.310 1.817 20 10 BDCDRO COc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC000300050469 960875282 /nfs/dbraw/zinc/87/52/82/960875282.db2.gz ZYPCWCARTSHASX-BXKDBHETSA-N 1 0 236.315 1.180 20 10 BDCDRO C[C@@]1(CO)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155938 960889586 /nfs/dbraw/zinc/88/95/86/960889586.db2.gz BBLYEDLKFFASQR-CYBMUJFWSA-N 1 0 237.299 1.302 20 10 BDCDRO C[C@H]1COCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156222 960890787 /nfs/dbraw/zinc/89/07/87/960890787.db2.gz HONBHOYYACDJEB-SNVBAGLBSA-N 1 0 237.299 1.566 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@@H]1O ZINC001141156053 960892090 /nfs/dbraw/zinc/89/20/90/960892090.db2.gz DMTKIHRTKFRCIF-SKDRFNHKSA-N 1 0 237.299 1.301 20 10 BDCDRO COc1cccc(CN2CC[NH2+]C[C@H]2C)c1O ZINC000722385047 961185885 /nfs/dbraw/zinc/18/58/85/961185885.db2.gz DYRMFLDNWGGSJM-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO CC1([NH3+])CN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001204993751 963391814 /nfs/dbraw/zinc/39/18/14/963391814.db2.gz MJLGFYQBUVAXPV-UHFFFAOYSA-N 1 0 244.697 1.718 20 10 BDCDRO CN(Cc1cc(F)ccc1O)[C@@H]1CC[N@H+](C)C1 ZINC000310532611 963541126 /nfs/dbraw/zinc/54/11/26/963541126.db2.gz QGGHHNSKOWPFIW-GFCCVEGCSA-N 1 0 238.306 1.667 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383581198 963583113 /nfs/dbraw/zinc/58/31/13/963583113.db2.gz FLIXXCWEWWFSFX-PSASIEDQSA-N 1 0 234.299 1.233 20 10 BDCDRO Nc1cccc(F)c1NC1CC[NH2+]CC1 ZINC001160047169 964246846 /nfs/dbraw/zinc/24/68/46/964246846.db2.gz PFHCUCHVCNHQOK-UHFFFAOYSA-N 1 0 209.268 1.572 20 10 BDCDRO COc1cccc(C[NH2+]CC2CSC2)c1O ZINC000697941506 964751468 /nfs/dbraw/zinc/75/14/68/964751468.db2.gz KPHSBFULEUWTBO-UHFFFAOYSA-N 1 0 239.340 1.853 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CC(N)=O)c1 ZINC000160802833 964846464 /nfs/dbraw/zinc/84/64/64/964846464.db2.gz OHVJGYJRIDASNN-VIFPVBQESA-N 1 0 222.288 1.054 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000316032014 965731356 /nfs/dbraw/zinc/73/13/56/965731356.db2.gz VABWYEDLKJGOFS-CYBMUJFWSA-N 1 0 221.300 1.643 20 10 BDCDRO CCc1cc(OC)ccc1N1CC[C@@H]([NH3+])C1 ZINC001164280694 965823580 /nfs/dbraw/zinc/82/35/80/965823580.db2.gz DUJORZIMZCRJAY-LLVKDONJSA-N 1 0 220.316 1.795 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc3c(c2)[C@H](O)CCO3)C1 ZINC001164281812 965825645 /nfs/dbraw/zinc/82/56/45/965825645.db2.gz NRPMREMDDFIJCW-JOYOIKCWSA-N 1 0 234.299 1.040 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(N)cc1 ZINC001236102193 966266045 /nfs/dbraw/zinc/26/60/45/966266045.db2.gz IXHWSROHGAWFHV-GHMZBOCLSA-N 1 0 219.332 1.451 20 10 BDCDRO Cc1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236284171 966333728 /nfs/dbraw/zinc/33/37/28/966333728.db2.gz HELZOPDLVVSCLS-RYUDHWBXSA-N 1 0 218.300 1.104 20 10 BDCDRO CCOc1cccc(CN2C[C@H]3C[NH2+]C[C@H]32)c1O ZINC001236286202 966337983 /nfs/dbraw/zinc/33/79/83/966337983.db2.gz LTCBRTGHWYZCHS-VXGBXAGGSA-N 1 0 248.326 1.195 20 10 BDCDRO Oc1ccc(F)c(F)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236296376 966354834 /nfs/dbraw/zinc/35/48/34/966354834.db2.gz QXZWHCCBEFIEMU-GMSGAONNSA-N 1 0 240.253 1.074 20 10 BDCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1O ZINC001203550205 966684136 /nfs/dbraw/zinc/68/41/36/966684136.db2.gz MDHFLWQOMHHSGH-PWSUYJOCSA-N 1 0 221.300 1.595 20 10 BDCDRO Cn1cnc2c1C[N@H+](Cc1ccccc1O)CC2 ZINC001203561669 966686807 /nfs/dbraw/zinc/68/68/07/966686807.db2.gz XSPLCCQSUHLBNJ-UHFFFAOYSA-N 1 0 243.310 1.684 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@]12CCOC2 ZINC001203560878 966687300 /nfs/dbraw/zinc/68/73/00/966687300.db2.gz ITQLKZSVQWOJAY-CYBMUJFWSA-N 1 0 219.284 1.757 20 10 BDCDRO CC[NH+]1CCN(Cc2ccc(O)c(O)c2)CC1 ZINC001203874323 966805279 /nfs/dbraw/zinc/80/52/79/966805279.db2.gz UDGYTTWUAGQBCT-UHFFFAOYSA-N 1 0 236.315 1.235 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)cc1 ZINC001203937107 966825989 /nfs/dbraw/zinc/82/59/89/966825989.db2.gz KUMWUYMUOFAHLR-GJZGRUSLSA-N 1 0 245.370 1.641 20 10 BDCDRO OC[C@H]1CCCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204273084 966951109 /nfs/dbraw/zinc/95/11/09/966951109.db2.gz XFWASULINMCHLH-LLVKDONJSA-N 1 0 237.299 1.445 20 10 BDCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276307 966951291 /nfs/dbraw/zinc/95/12/91/966951291.db2.gz JZWCMYGSIYMGMS-CYBMUJFWSA-N 1 0 237.299 1.302 20 10 BDCDRO Oc1ccc(C[N@H+]2CCC[C@H](O)CC2)c(O)c1 ZINC001204272295 966954536 /nfs/dbraw/zinc/95/45/36/966954536.db2.gz MNHFFSQVEDLIKJ-NSHDSACASA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001204272008 966954570 /nfs/dbraw/zinc/95/45/70/966954570.db2.gz GQAZKYLDDPTKAV-CMPLNLGQSA-N 1 0 241.262 1.003 20 10 BDCDRO C[N@H+](Cc1ccno1)Cc1ccc(O)cc1O ZINC001204277244 966957561 /nfs/dbraw/zinc/95/75/61/966957561.db2.gz AEJRBFLCDOUBOM-UHFFFAOYSA-N 1 0 234.255 1.718 20 10 BDCDRO C[N@H+](Cc1cncnc1)Cc1ccc(O)cc1O ZINC001204282510 966959401 /nfs/dbraw/zinc/95/94/01/966959401.db2.gz RLQBWVGJOGXHTF-UHFFFAOYSA-N 1 0 245.282 1.520 20 10 BDCDRO CC[N@H+](Cc1ccc(O)cc1O)C1COC1 ZINC001204279281 966960528 /nfs/dbraw/zinc/96/05/28/966960528.db2.gz VUJGJAUCVIPZKU-UHFFFAOYSA-N 1 0 223.272 1.319 20 10 BDCDRO Cc1c(O)ccc(CN2CC[C@](C)([NH3+])C2)c1O ZINC001204782444 967167668 /nfs/dbraw/zinc/16/76/68/967167668.db2.gz DNARCWOMKIZKTL-ZDUSSCGKSA-N 1 0 236.315 1.329 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H](F)[C@@H]([NH3+])C2)c1 ZINC001204823989 967183179 /nfs/dbraw/zinc/18/31/79/967183179.db2.gz PAGMYOMVCACJCX-MNOVXSKESA-N 1 0 224.279 1.182 20 10 BDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cc(F)ccc1O ZINC001205068743 967326784 /nfs/dbraw/zinc/32/67/84/967326784.db2.gz OFBCSZUOVAJPDG-CABZTGNLSA-N 1 0 238.306 1.843 20 10 BDCDRO Nc1cc(Nc2cccc(O)c2O)cc[nH+]1 ZINC001206556932 968378662 /nfs/dbraw/zinc/37/86/62/968378662.db2.gz ATNQTYHXZHYEKF-UHFFFAOYSA-N 1 0 217.228 1.819 20 10 BDCDRO CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](C)O ZINC001251962913 968404065 /nfs/dbraw/zinc/40/40/65/968404065.db2.gz LQHSLEGDNKRUQJ-LBPRGKRZSA-N 1 0 236.359 1.955 20 10 BDCDRO Oc1cccc2c1C[N@H+](CC1CC[NH2+]CC1)CC2 ZINC001207440859 968775762 /nfs/dbraw/zinc/77/57/62/968775762.db2.gz HYNRMTLHNFXSIQ-UHFFFAOYSA-N 1 0 246.354 1.750 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000402024793 970759381 /nfs/dbraw/zinc/75/93/81/970759381.db2.gz GLZAACGWZVRGPM-ZWNOBZJWSA-N 1 0 233.311 1.889 20 10 BDCDRO C[C@H]1C[N@H+](Cc2c(O)cc(O)cc2O)CCO1 ZINC001144504559 972851903 /nfs/dbraw/zinc/85/19/03/972851903.db2.gz VBLKVUJBGMNLHG-QMMMGPOBSA-N 1 0 239.271 1.024 20 10 BDCDRO CCC[C@](C)(CO)[NH2+]Cc1ccc(N)cc1 ZINC001334754663 976623519 /nfs/dbraw/zinc/62/35/19/976623519.db2.gz QOISXPYCBWSBOW-CYBMUJFWSA-N 1 0 222.332 1.910 20 10 BDCDRO Nc1ccc(CN2C[C@H]3CCC[C@]3([NH3+])C2)cc1 ZINC001334754805 976623652 /nfs/dbraw/zinc/62/36/52/976623652.db2.gz RSCDCFAMMBWOFY-OCCSQVGLSA-N 1 0 231.343 1.582 20 10 BDCDRO Nc1ccc(CN2C[C@@H]3CCC[C@@]3([NH3+])C2)cc1 ZINC001334754803 976625184 /nfs/dbraw/zinc/62/51/84/976625184.db2.gz RSCDCFAMMBWOFY-GXTWGEPZSA-N 1 0 231.343 1.582 20 10 BDCDRO C[C@H]1[NH2+]CCN(Cc2ccc(N)cc2)[C@@H]1C ZINC001334773973 976635910 /nfs/dbraw/zinc/63/59/10/976635910.db2.gz BVUPSTIZVQALEL-GHMZBOCLSA-N 1 0 219.332 1.451 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2ccc(N)cc2)C1 ZINC001336116108 977514194 /nfs/dbraw/zinc/51/41/94/977514194.db2.gz BSCMIZBMKLUZJR-GFCCVEGCSA-N 1 0 205.305 1.063 20 10 BDCDRO CCOC(=O)[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336284959 977614285 /nfs/dbraw/zinc/61/42/85/977614285.db2.gz FKOYOJXQEQPIEQ-LBPRGKRZSA-N 1 0 248.326 1.654 20 10 BDCDRO CC(=O)N(C)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC001231591802 977641546 /nfs/dbraw/zinc/64/15/46/977641546.db2.gz AGLBLEKSSOOJQE-UHFFFAOYSA-N 1 0 248.326 1.363 20 10 BDCDRO Cc1cccc(C[N@H+]2CCC3(CN(C)C3)C2)c1O ZINC001231594007 977642492 /nfs/dbraw/zinc/64/24/92/977642492.db2.gz ATFXUBYWYIQCDN-UHFFFAOYSA-N 1 0 246.354 1.838 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1O ZINC001231590893 977643341 /nfs/dbraw/zinc/64/33/41/977643341.db2.gz KMUIIZBYTKTUJM-MFKMUULPSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC001231842652 977759294 /nfs/dbraw/zinc/75/92/94/977759294.db2.gz WPGAEGBKCAUOFA-GFCCVEGCSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235076035 978971107 /nfs/dbraw/zinc/97/11/07/978971107.db2.gz TUODAVSHFDMZAV-CHWSQXEVSA-N 1 0 232.327 1.637 20 10 BDCDRO C[N@H+](CCO)Cc1ccc(N2CCCC2)cc1 ZINC001235691528 979125057 /nfs/dbraw/zinc/12/50/57/979125057.db2.gz MLXGTTQYFWBCDL-UHFFFAOYSA-N 1 0 234.343 1.711 20 10 BDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001235978739 979247916 /nfs/dbraw/zinc/24/79/16/979247916.db2.gz JZAZPASSBGNERX-MFKMUULPSA-N 1 0 234.299 1.021 20 10 BDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(O)cc1O)C2 ZINC001235981685 979259815 /nfs/dbraw/zinc/25/98/15/979259815.db2.gz RUSKZACINQFDGD-GXFFZTMASA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1cc(C)c(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236288510 979492433 /nfs/dbraw/zinc/49/24/33/979492433.db2.gz IDTBWVWSNYCHGN-YPMHNXCESA-N 1 0 232.327 1.413 20 10 BDCDRO COc1cc(O)c(C[NH+]2CCC2)cc1OC ZINC001236751156 979725581 /nfs/dbraw/zinc/72/55/81/979725581.db2.gz QQROITVTPURVTD-UHFFFAOYSA-N 1 0 223.272 1.615 20 10 BDCDRO OCC1C[NH+](Cc2cc3ccccc3cc2O)C1 ZINC001236841475 979755160 /nfs/dbraw/zinc/75/51/60/979755160.db2.gz KZTYMPGAAQVHMP-UHFFFAOYSA-N 1 0 243.306 1.970 20 10 BDCDRO CN1CCC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC001203560523 979755933 /nfs/dbraw/zinc/75/59/33/979755933.db2.gz BQUUQZMOACIYHK-OCCSQVGLSA-N 1 0 246.354 1.918 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1cc(O)ccc1O ZINC001236868713 979771794 /nfs/dbraw/zinc/77/17/94/979771794.db2.gz GTFUUQMICWXPLV-JTQLQIEISA-N 1 0 224.304 1.267 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC001238057729 980135295 /nfs/dbraw/zinc/13/52/95/980135295.db2.gz LTGBIGVLLGWDIB-LBPRGKRZSA-N 1 0 239.290 1.796 20 10 BDCDRO CC(C)(O)/C=C/c1ccc(N2CC[NH2+]CC2)cc1 ZINC001239154677 980469626 /nfs/dbraw/zinc/46/96/26/980469626.db2.gz DGMMZWIXHRLACB-BQYQJAHWSA-N 1 0 246.354 1.880 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c1 ZINC001203680165 980633212 /nfs/dbraw/zinc/63/32/12/980633212.db2.gz HULMILURLBDHNY-RYUDHWBXSA-N 1 0 248.326 1.289 20 10 BDCDRO Cn1ccc(-c2cncc(C[NH+](C)C)c2)cc1=O ZINC001240991684 982077933 /nfs/dbraw/zinc/07/79/33/982077933.db2.gz RCNFULPCZAPLNN-UHFFFAOYSA-N 1 0 243.310 1.509 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875821 982560010 /nfs/dbraw/zinc/56/00/10/982560010.db2.gz WKJBFTLGZWXLLB-KOLCDFICSA-N 1 0 237.299 1.301 20 10 BDCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882548 982586585 /nfs/dbraw/zinc/58/65/85/982586585.db2.gz KWCSZQZJMSGRMZ-MWLCHTKSSA-N 1 0 237.299 1.443 20 10 BDCDRO C[N@@H+]1CCC=C(c2ccn(CC3CC3)c(=O)c2)C1 ZINC001241572375 982826888 /nfs/dbraw/zinc/82/68/88/982826888.db2.gz YZDFMWSDOPCLQX-UHFFFAOYSA-N 1 0 244.338 1.977 20 10 BDCDRO C[N@@H+]1C[C@@H]2CCN(Cc3cc(O)ccc3O)[C@@H]2C1 ZINC001275419341 984557732 /nfs/dbraw/zinc/55/77/32/984557732.db2.gz VMVJOTWCMDNVFU-GXFFZTMASA-N 1 0 248.326 1.234 20 10 BDCDRO C[C@H]1[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000719395500 984652422 /nfs/dbraw/zinc/65/24/22/984652422.db2.gz KHRXGWGWYQJBFU-GXFFZTMASA-N 1 0 247.342 1.020 20 10 BDCDRO C[C@@H]([NH2+]CCC(=O)N(C)C)c1ccccc1O ZINC000037751512 985842906 /nfs/dbraw/zinc/84/29/06/985842906.db2.gz ZCSNYMUAZPIYKV-SNVBAGLBSA-N 1 0 236.315 1.521 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC[C@@H]1CC[NH2+]1 ZINC001579616698 986125845 /nfs/dbraw/zinc/12/58/45/986125845.db2.gz DXNAVJGHSPXIGK-ZDUSSCGKSA-N 1 0 233.359 1.513 20 10 BDCDRO COc1cc(C)c(C[NH2+]C/C=C\CO)c(O)c1 ZINC001462417927 986382557 /nfs/dbraw/zinc/38/25/57/986382557.db2.gz JHUWYZKSGDVYOB-ARJAWSKDSA-N 1 0 237.299 1.347 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2ccc(N)cc2)C[NH2+]1 ZINC001246170481 987532007 /nfs/dbraw/zinc/53/20/07/987532007.db2.gz KRNDNBPBSKZQQK-GXFFZTMASA-N 1 0 219.332 1.499 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246277402 987672827 /nfs/dbraw/zinc/67/28/27/987672827.db2.gz GXLFZOGVAJBGKT-MWLCHTKSSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@H](O)C[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC001118908508 988691098 /nfs/dbraw/zinc/69/10/98/988691098.db2.gz BISORBNUTDYVLO-QMMMGPOBSA-N 1 0 244.285 1.501 20 10 BDCDRO C[C@H]1CCCN(Cc2ccc(N)cc2)[C@H]1C[NH3+] ZINC001120263965 989621482 /nfs/dbraw/zinc/62/14/82/989621482.db2.gz YGYDIFMYWQDIHU-FZMZJTMJSA-N 1 0 233.359 1.828 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1c(O)cccc1F ZINC001122258240 990309652 /nfs/dbraw/zinc/30/96/52/990309652.db2.gz OZAGIZHANFCYEW-YUMQZZPRSA-N 1 0 240.278 1.131 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC001122538171 990408337 /nfs/dbraw/zinc/40/83/37/990408337.db2.gz AUYYQLUNEBDNON-YNEHKIRRSA-N 1 0 245.326 1.026 20 10 BDCDRO COC(=O)C1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140178388 991549791 /nfs/dbraw/zinc/54/97/91/991549791.db2.gz KKIRATLYTMAWLR-UHFFFAOYSA-N 1 0 249.310 1.614 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CC3(CN(C)C3)C2)c1O ZINC001140185042 991555324 /nfs/dbraw/zinc/55/53/24/991555324.db2.gz OWHFIWTTWLEMAU-UHFFFAOYSA-N 1 0 246.354 1.756 20 10 BDCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC001560810940 991610512 /nfs/dbraw/zinc/61/05/12/991610512.db2.gz RKGIZEYBDKLTAP-LBPRGKRZSA-N 1 0 241.718 1.906 20 10 BDCDRO Nc1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC001263303975 993214061 /nfs/dbraw/zinc/21/40/61/993214061.db2.gz OIVXJPJELLDFNC-UHFFFAOYSA-N 1 0 249.358 1.794 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@@H]1CO ZINC000700439451 993834940 /nfs/dbraw/zinc/83/49/40/993834940.db2.gz SRCMMJHNKODLHX-WCQYABFASA-N 1 0 234.343 1.719 20 10 BDCDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336116552 994954982 /nfs/dbraw/zinc/95/49/82/994954982.db2.gz GDEZHSMCMZSBJP-GFCCVEGCSA-N 1 0 247.342 1.356 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@](C)(O)C2)cc1C ZINC000180189401 178195531 /nfs/dbraw/zinc/19/55/31/178195531.db2.gz CODGJUKULRVKEF-AWEZNQCLSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2CC(=O)N(C)C2)cc1C ZINC000266204937 178196640 /nfs/dbraw/zinc/19/66/40/178196640.db2.gz MHNXCSVKFLGXDH-LBPRGKRZSA-N 1 0 248.326 1.329 20 10 BDCDRO CCN(CC)c1ccc(CNC(N)=[NH2+])cc1F ZINC000067004588 361942733 /nfs/dbraw/zinc/94/27/33/361942733.db2.gz QOUHIBJNGCXNKZ-UHFFFAOYSA-N 1 0 238.310 1.655 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C2CCN(C)CC2)cc1 ZINC000020146009 342972085 /nfs/dbraw/zinc/97/20/85/342972085.db2.gz SEMGWGGFSPVXDS-UHFFFAOYSA-N 1 0 247.386 1.936 20 10 BDCDRO CC[C@@H]([NH2+]Cc1nncn1C)c1ccccc1O ZINC000038007446 343364993 /nfs/dbraw/zinc/36/49/93/343364993.db2.gz DKYJEFZHQYETTA-LLVKDONJSA-N 1 0 246.314 1.762 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cncn2C)c1 ZINC000289903694 178797506 /nfs/dbraw/zinc/79/75/06/178797506.db2.gz RDGYDNZCPIGCLU-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000129578183 345258868 /nfs/dbraw/zinc/25/88/68/345258868.db2.gz ZCALMRZPUBUJTQ-KBPBESRZSA-N 1 0 247.338 1.871 20 10 BDCDRO CC(C)C[N@H+](CC(N)=O)Cc1ccccc1O ZINC000132895433 345351187 /nfs/dbraw/zinc/35/11/87/345351187.db2.gz SHTZGYOHFGFAED-UHFFFAOYSA-N 1 0 236.315 1.336 20 10 BDCDRO COc1cccc(C[N@H+](C)CC[C@H](C)O)c1O ZINC000093481657 345672669 /nfs/dbraw/zinc/67/26/69/345672669.db2.gz XHGITXSJZWSIMW-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC000132494608 179076957 /nfs/dbraw/zinc/07/69/57/179076957.db2.gz COAOLCAPPABMIQ-LBPRGKRZSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H](F)C[C@H]2CO)c1O ZINC000372646743 179084090 /nfs/dbraw/zinc/08/40/90/179084090.db2.gz CLVZQKKCCNLMHZ-RYUDHWBXSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000376893030 179084452 /nfs/dbraw/zinc/08/44/52/179084452.db2.gz BFSQMIQKRCAKRW-LBPRGKRZSA-N 1 0 233.311 1.657 20 10 BDCDRO Cc1cccc(C[NH2+]CC(=O)NC2CC2)c1O ZINC000158692844 179090766 /nfs/dbraw/zinc/09/07/66/179090766.db2.gz AZRZOBDRZRMZAD-UHFFFAOYSA-N 1 0 234.299 1.069 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)c2ncnn2C)c1O ZINC000276411325 179100615 /nfs/dbraw/zinc/10/06/15/179100615.db2.gz FILQQLLEUIGTFI-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO CCOc1cccc(CN2CC[C@@H]([NH3+])C2)c1O ZINC000050227657 350192398 /nfs/dbraw/zinc/19/23/98/350192398.db2.gz KAUWTBDKRLVVCY-LLVKDONJSA-N 1 0 236.315 1.324 20 10 BDCDRO CC(C)[C@H](CCO)[NH2+]Cc1ccccc1O ZINC000164859817 191123050 /nfs/dbraw/zinc/12/30/50/191123050.db2.gz WXQBMMVYGOVYEV-LBPRGKRZSA-N 1 0 223.316 1.889 20 10 BDCDRO CCN1CC[NH+](Cc2cccc(C)c2O)CC1 ZINC000124502162 353167282 /nfs/dbraw/zinc/16/72/82/353167282.db2.gz WYABNVCESRCTNO-UHFFFAOYSA-N 1 0 234.343 1.838 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCNC(=O)C2CC2)c1 ZINC000113313582 188153768 /nfs/dbraw/zinc/15/37/68/188153768.db2.gz NHEAEVIFYZFEEX-UHFFFAOYSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1 ZINC000188839894 188172379 /nfs/dbraw/zinc/17/23/79/188172379.db2.gz SEALPYKZKNKIRV-DGCLKSJQSA-N 1 0 235.327 1.951 20 10 BDCDRO COc1cccc(C[N@@H+]2CCCOCC2)c1O ZINC000134189627 358781769 /nfs/dbraw/zinc/78/17/69/358781769.db2.gz YMXSJRWDFKZCJA-UHFFFAOYSA-N 1 0 237.299 1.623 20 10 BDCDRO OCCCSCC[NH2+]Cc1ccccc1O ZINC000163921964 183061524 /nfs/dbraw/zinc/06/15/24/183061524.db2.gz QVSZLLUKRDUZPT-UHFFFAOYSA-N 1 0 241.356 1.597 20 10 BDCDRO OCCOCC[NH2+]Cc1cc(Cl)ccc1O ZINC000020198853 183083673 /nfs/dbraw/zinc/08/36/73/183083673.db2.gz FHHKSHFDMDHFOZ-UHFFFAOYSA-N 1 0 245.706 1.144 20 10 BDCDRO OC[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000128550266 183151401 /nfs/dbraw/zinc/15/14/01/183151401.db2.gz CCQPFHFRXMZFKI-LLVKDONJSA-N 1 0 207.273 1.349 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCCn1cccn1 ZINC000226584097 183275419 /nfs/dbraw/zinc/27/54/19/183275419.db2.gz XNIZSMDHIPKEOF-UHFFFAOYSA-N 1 0 249.289 1.908 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC1(O)CCCC1 ZINC000226608880 183275485 /nfs/dbraw/zinc/27/54/85/183275485.db2.gz NUFBTUNKYUMEAO-UHFFFAOYSA-N 1 0 239.290 1.926 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000187543050 183301170 /nfs/dbraw/zinc/30/11/70/183301170.db2.gz YUSXZZGWNDBWLN-CQSZACIVSA-N 1 0 249.310 1.384 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCCC2(C1)OCCO2 ZINC000184721213 183302081 /nfs/dbraw/zinc/30/20/81/183302081.db2.gz WYXKBMVIMHSPES-UHFFFAOYSA-N 1 0 249.310 1.731 20 10 BDCDRO Oc1ccccc1C[NH2+]CCCn1ccnc1 ZINC000020506312 183302525 /nfs/dbraw/zinc/30/25/25/183302525.db2.gz OXEFTYXMHAPZPF-UHFFFAOYSA-N 1 0 231.299 1.769 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H]1CCCOC1 ZINC000038043827 183303525 /nfs/dbraw/zinc/30/35/25/183303525.db2.gz MHOKEGWTCXXCID-LLVKDONJSA-N 1 0 221.300 1.908 20 10 BDCDRO CCC[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000262465460 169501808 /nfs/dbraw/zinc/50/18/08/169501808.db2.gz XRJDECQNEPDFMS-LBPRGKRZSA-N 1 0 235.331 1.055 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCN(C)C)c1 ZINC000035628438 383866544 /nfs/dbraw/zinc/86/65/44/383866544.db2.gz WDDLFKIAWSNAIV-NSHDSACASA-N 1 0 222.332 1.913 20 10 BDCDRO CCOc1cccc(C[NH2+]C[C@H](C)CO)c1O ZINC000112017458 383888221 /nfs/dbraw/zinc/88/82/21/383888221.db2.gz YOOKFZVFJVTBEO-JTQLQIEISA-N 1 0 239.315 1.509 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CCNC(=O)C[C@@H]2C)c1 ZINC000377888770 384224364 /nfs/dbraw/zinc/22/43/64/384224364.db2.gz LYTNKKBEFQGABI-NSHDSACASA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCOC2)c1 ZINC000132770988 384249804 /nfs/dbraw/zinc/24/98/04/384249804.db2.gz ZTWMJDWDIWXQLL-GFCCVEGCSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000134245932 384343326 /nfs/dbraw/zinc/34/33/26/384343326.db2.gz VFKZRPZJNYHXJG-CMPLNLGQSA-N 1 0 221.300 1.968 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCOC2)cc1 ZINC000120180202 384334133 /nfs/dbraw/zinc/33/41/33/384334133.db2.gz XHDQNYYLOZCKFB-AWEZNQCLSA-N 1 0 234.343 1.973 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CO)c(O)c1 ZINC000035602322 384412157 /nfs/dbraw/zinc/41/21/57/384412157.db2.gz VXJYERNHSDQEKW-ZJUUUORDSA-N 1 0 209.289 1.732 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)C(F)(F)F ZINC000121592419 384427354 /nfs/dbraw/zinc/42/73/54/384427354.db2.gz QNVYIBMKUCFNBR-SNVBAGLBSA-N 1 0 249.232 1.747 20 10 BDCDRO CC[C@](C)(O)C[N@H+](C)Cc1ccccc1O ZINC000161802114 384527297 /nfs/dbraw/zinc/52/72/97/384527297.db2.gz ZTDGPBUPESXSJO-ZDUSSCGKSA-N 1 0 223.316 1.985 20 10 BDCDRO CN(C)c1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000148096656 384871057 /nfs/dbraw/zinc/87/10/57/384871057.db2.gz JVJAAHSWGSFLJQ-UHFFFAOYSA-N 1 0 247.342 1.250 20 10 BDCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccccc1O ZINC000130162062 385021125 /nfs/dbraw/zinc/02/11/25/385021125.db2.gz YHHZLTZBYZBZGC-JTQLQIEISA-N 1 0 208.305 1.432 20 10 BDCDRO C[C@@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111420 385074285 /nfs/dbraw/zinc/07/42/85/385074285.db2.gz IMBXBDCOBBKTQQ-BDAKNGLRSA-N 1 0 227.279 1.953 20 10 BDCDRO COC(=O)[C@@]1(C)CCC[N@@H+]1Cc1ccccc1O ZINC000189985772 385201974 /nfs/dbraw/zinc/20/19/74/385201974.db2.gz CIMLYHNSADRXGM-CQSZACIVSA-N 1 0 249.310 1.920 20 10 BDCDRO C[N@H+](CCN1CCCC1=O)Cc1ccccc1O ZINC000109770384 385191176 /nfs/dbraw/zinc/19/11/76/385191176.db2.gz PQBPKWLCFBXUAQ-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO CO[C@@H](C)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000191207227 385293655 /nfs/dbraw/zinc/29/36/55/385293655.db2.gz KOZUFMRWIXURQN-NSHDSACASA-N 1 0 222.332 1.877 20 10 BDCDRO C[C@@H](C(=O)NCc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000156759727 385467414 /nfs/dbraw/zinc/46/74/14/385467414.db2.gz XSTOFIDUSPSWHN-MNOVXSKESA-N 1 0 249.358 1.352 20 10 BDCDRO CC(C)[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000179569818 385474335 /nfs/dbraw/zinc/47/43/35/385474335.db2.gz LVEWURSJBJWBFU-CYBMUJFWSA-N 1 0 248.326 1.349 20 10 BDCDRO CCN(C)C(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000179902678 385499979 /nfs/dbraw/zinc/49/99/79/385499979.db2.gz NCOHYJDHYMXRBV-JTQLQIEISA-N 1 0 236.315 1.521 20 10 BDCDRO CC[C@@H](C[NH2+]Cc1cccc(OC)c1O)OC ZINC000289926691 385732363 /nfs/dbraw/zinc/73/23/63/385732363.db2.gz VTYQZGNYRCPMLM-NSHDSACASA-N 1 0 239.315 1.915 20 10 BDCDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1ccccc1O ZINC000183629642 385778249 /nfs/dbraw/zinc/77/82/49/385778249.db2.gz JOQGPRGPCPOCSW-GXFFZTMASA-N 1 0 237.299 1.194 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2ncnn2C)c1 ZINC000276755085 386372610 /nfs/dbraw/zinc/37/26/10/386372610.db2.gz UACMZBIKZOUGLN-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1cc(F)ccc1O ZINC000226584449 386337712 /nfs/dbraw/zinc/33/77/12/386337712.db2.gz HIOGFBIBMFTSDS-JTQLQIEISA-N 1 0 249.289 1.906 20 10 BDCDRO COC[C@H](C[NH2+][C@H](C)c1ccccc1O)OC ZINC000228808821 386620480 /nfs/dbraw/zinc/62/04/80/386620480.db2.gz ZYXUZJVKMBQSIH-MNOVXSKESA-N 1 0 239.315 1.704 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000293526394 386830017 /nfs/dbraw/zinc/83/00/17/386830017.db2.gz IZAYXDLWEPKWIK-AWEZNQCLSA-N 1 0 234.343 1.973 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000293616194 386849749 /nfs/dbraw/zinc/84/97/49/386849749.db2.gz KKPRLOWAGCQPFS-JTQLQIEISA-N 1 0 225.263 1.752 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCCCO)c1 ZINC000193277037 387204223 /nfs/dbraw/zinc/20/42/23/387204223.db2.gz JPAKMZCXUAJOIW-UHFFFAOYSA-N 1 0 209.289 1.563 20 10 BDCDRO C[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296196314 388418679 /nfs/dbraw/zinc/41/86/79/388418679.db2.gz YTMGUYXZDVLFDU-SCZZXKLOSA-N 1 0 207.273 1.350 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000273612487 389043081 /nfs/dbraw/zinc/04/30/81/389043081.db2.gz WLQPPFWFXAPTTN-WDEREUQCSA-N 1 0 248.326 1.582 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000273612486 389043212 /nfs/dbraw/zinc/04/32/12/389043212.db2.gz WLQPPFWFXAPTTN-QWRGUYRKSA-N 1 0 248.326 1.582 20 10 BDCDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000036781640 167057579 /nfs/dbraw/zinc/05/75/79/167057579.db2.gz JPFMCVPMJOABMV-JTQLQIEISA-N 1 0 236.315 1.567 20 10 BDCDRO CC(C)NC(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000226581898 167058831 /nfs/dbraw/zinc/05/88/31/167058831.db2.gz ZBWVQXVFBNNLNC-UHFFFAOYSA-N 1 0 240.278 1.146 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1cc(OC)ccc1O ZINC000087011390 171183993 /nfs/dbraw/zinc/18/39/93/171183993.db2.gz FKJUNFJDTYVJOW-CYBMUJFWSA-N 1 0 239.315 1.651 20 10 BDCDRO CCc1nnc(C[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000274564205 171986832 /nfs/dbraw/zinc/98/68/32/171986832.db2.gz CYMVXTPQDCPPBF-VIFPVBQESA-N 1 0 246.314 1.924 20 10 BDCDRO CN(C)C(=O)CCC[NH2+]Cc1ccccc1O ZINC000134229891 172357117 /nfs/dbraw/zinc/35/71/17/172357117.db2.gz BRBXPBIRXKJCIN-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000042561416 173303242 /nfs/dbraw/zinc/30/32/42/173303242.db2.gz UPCQXQGLOBJMJO-UWVGGRQHSA-N 1 0 236.315 1.486 20 10 BDCDRO COCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879509 174247802 /nfs/dbraw/zinc/24/78/02/174247802.db2.gz ODXMGWSUKLTQNT-UHFFFAOYSA-N 1 0 239.271 1.247 20 10 BDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094618275 174497276 /nfs/dbraw/zinc/49/72/76/174497276.db2.gz SEPVVXWBBRPPTM-WPRPVWTQSA-N 1 0 243.278 1.189 20 10 BDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1ccc(C)cc1O ZINC000071264960 174498779 /nfs/dbraw/zinc/49/87/79/174498779.db2.gz YVMWENYSVJPPTL-MNOVXSKESA-N 1 0 239.315 1.359 20 10 BDCDRO CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000133140190 174713735 /nfs/dbraw/zinc/71/37/35/174713735.db2.gz UDNXNDAMHZTKIO-ZJUUUORDSA-N 1 0 209.289 1.905 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cn[nH]c2)c1 ZINC000038005754 175159760 /nfs/dbraw/zinc/15/97/60/175159760.db2.gz FNZRITCLDWSHPB-SECBINFHSA-N 1 0 247.298 1.975 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000086629173 175160995 /nfs/dbraw/zinc/16/09/95/175160995.db2.gz KKTRZHYDABDAFJ-VHSXEESVSA-N 1 0 239.315 1.680 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H](O)C(C)C)c1O ZINC000134698236 175264068 /nfs/dbraw/zinc/26/40/68/175264068.db2.gz PAVCVHUECZDXHY-LLVKDONJSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1cccc(C[NH2+]Cc2c[nH]nc2C)c1O ZINC000038011164 175265320 /nfs/dbraw/zinc/26/53/20/175265320.db2.gz PGDJJCCHTIOMDY-UHFFFAOYSA-N 1 0 247.298 1.722 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)CN(C)C)c1O ZINC000168753986 175265470 /nfs/dbraw/zinc/26/54/70/175265470.db2.gz AZGLCSQGVNTZLZ-JTQLQIEISA-N 1 0 238.331 1.441 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H](O)C(C)C)c1O ZINC000134698256 175265791 /nfs/dbraw/zinc/26/57/91/175265791.db2.gz PAVCVHUECZDXHY-NSHDSACASA-N 1 0 239.315 1.507 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cncn2C)c1O ZINC000289449928 175266111 /nfs/dbraw/zinc/26/61/11/175266111.db2.gz NBCJTDHMBJDDPC-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CCSC2)c1O ZINC000230705116 175267298 /nfs/dbraw/zinc/26/72/98/175267298.db2.gz DNFGJJUHIMLMBY-SNVBAGLBSA-N 1 0 239.340 1.996 20 10 BDCDRO COc1cccc(C[NH2+][C@H](CO)C(C)C)c1O ZINC000092393528 175267608 /nfs/dbraw/zinc/26/76/08/175267608.db2.gz IEEYRQHARBWAHY-LLVKDONJSA-N 1 0 239.315 1.507 20 10 BDCDRO C[C@@H](CN(C)C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297436610 175700586 /nfs/dbraw/zinc/70/05/86/175700586.db2.gz VSOKLPVFGJUDHI-JQWIXIFHSA-N 1 0 234.343 1.919 20 10 BDCDRO C[C@@H]1COCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000369451438 176333419 /nfs/dbraw/zinc/33/34/19/176333419.db2.gz JNLNVPMNQUVDPZ-JTQLQIEISA-N 1 0 239.290 2.000 20 10 BDCDRO C[C@H](CO)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037258359 176706934 /nfs/dbraw/zinc/70/69/34/176706934.db2.gz BWVNROJIOMNVKB-GHMZBOCLSA-N 1 0 222.332 1.784 20 10 BDCDRO C[C@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000132606273 177292896 /nfs/dbraw/zinc/29/28/96/177292896.db2.gz FZSHPGJTTXUXRF-JTQLQIEISA-N 1 0 207.273 1.613 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC23CC(C2)CO3)c1 ZINC000527789892 262882295 /nfs/dbraw/zinc/88/22/95/262882295.db2.gz PWWKZTMTNIYYLS-UHFFFAOYSA-N 1 0 233.311 1.969 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H]1CCOC1 ZINC000127042632 491132046 /nfs/dbraw/zinc/13/20/46/491132046.db2.gz UKCTUNZLCHDHGP-JQWIXIFHSA-N 1 0 221.300 1.907 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@@H]1CCOC1 ZINC000127042178 491132057 /nfs/dbraw/zinc/13/20/57/491132057.db2.gz UKCTUNZLCHDHGP-CMPLNLGQSA-N 1 0 221.300 1.907 20 10 BDCDRO Cc1cc(O)c(CNCC23CC(C2)C[NH2+]3)cc1C ZINC000853246004 588728649 /nfs/dbraw/zinc/72/86/49/588728649.db2.gz GGPTWXAWMHLFEC-UHFFFAOYSA-N 1 0 246.354 1.851 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1c(O)cccc1Cl ZINC000853249545 588728859 /nfs/dbraw/zinc/72/88/59/588728859.db2.gz RCLPBMGNDACWKH-MRVPVSSYSA-N 1 0 228.723 1.743 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1cc(C)c(C)cc1O ZINC000853249349 588729234 /nfs/dbraw/zinc/72/92/34/588729234.db2.gz PXKPUKBCCPLSFB-NSHDSACASA-N 1 0 222.332 1.707 20 10 BDCDRO Oc1cc2c(cc1C[N@@H+]1CC[C@@H]3C[C@@H]3C1)OCO2 ZINC000853581667 588749875 /nfs/dbraw/zinc/74/98/75/588749875.db2.gz WXJYUGCPYSAQGL-NXEZZACHSA-N 1 0 247.294 1.963 20 10 BDCDRO [NH2+]=C(NCc1ccccc1O)N1CCC1 ZINC000848984818 582817019 /nfs/dbraw/zinc/81/70/19/582817019.db2.gz GLWMTNSKXRVVIU-UHFFFAOYSA-N 1 0 205.261 1.122 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@H](C)CO)c1O ZINC000894201280 583337545 /nfs/dbraw/zinc/33/75/45/583337545.db2.gz XHWAIIJNOIMFND-SECBINFHSA-N 1 0 225.288 1.180 20 10 BDCDRO COC(=O)C1CC([NH2+]Cc2ccccc2O)C1 ZINC000877721595 583345123 /nfs/dbraw/zinc/34/51/23/583345123.db2.gz STIFPVKVQDDTKL-UHFFFAOYSA-N 1 0 235.283 1.433 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C[C@@H](C)OC)c1O ZINC000894534103 583478541 /nfs/dbraw/zinc/47/85/41/583478541.db2.gz XTZGICAOUUWSAO-SNVBAGLBSA-N 1 0 239.315 1.834 20 10 BDCDRO COc1ccc(C[NH2+]C[C@H]2COCO2)cc1C ZINC000894871699 583540162 /nfs/dbraw/zinc/54/01/62/583540162.db2.gz VSVUWUZYDMYJFO-LBPRGKRZSA-N 1 0 237.299 1.466 20 10 BDCDRO CC1=NO[C@@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000895305423 583643465 /nfs/dbraw/zinc/64/34/65/583643465.db2.gz SDZBIJAWKCSQKB-LLVKDONJSA-N 1 0 234.299 1.955 20 10 BDCDRO CC1=NO[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000895310006 583646343 /nfs/dbraw/zinc/64/63/43/583646343.db2.gz FDXZSEWRDJIILM-ZDUSSCGKSA-N 1 0 246.310 1.876 20 10 BDCDRO COC(OC)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000895791136 583728352 /nfs/dbraw/zinc/72/83/52/583728352.db2.gz ZPXCEZVEDWGFFC-SNVBAGLBSA-N 1 0 239.315 1.798 20 10 BDCDRO Cc1c[nH]c(CNCc2c(O)cccc2F)n1 ZINC000896637604 583819696 /nfs/dbraw/zinc/81/96/96/583819696.db2.gz KSKFZVWNKCUMPA-UHFFFAOYSA-N 1 0 235.262 1.853 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2COC[C@H]2C)c(O)c1 ZINC000896733137 583827795 /nfs/dbraw/zinc/82/77/95/583827795.db2.gz NCEAHIMOJWIHPD-PWSUYJOCSA-N 1 0 221.300 1.825 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2C)c(O)c1 ZINC000896733135 583827993 /nfs/dbraw/zinc/82/79/93/583827993.db2.gz NCEAHIMOJWIHPD-CMPLNLGQSA-N 1 0 221.300 1.825 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1C ZINC000858249448 588940276 /nfs/dbraw/zinc/94/02/76/588940276.db2.gz QOZWZAGFNFIGGQ-HAQNSBGRSA-N 1 0 248.326 1.357 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000858249082 588940462 /nfs/dbraw/zinc/94/04/62/588940462.db2.gz JLXWCKWBKLYMIE-HOMQSWHASA-N 1 0 234.299 1.054 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC2COC2)cc1F ZINC000858298241 588942689 /nfs/dbraw/zinc/94/26/89/588942689.db2.gz OQPJXPMAWUZNSS-UHFFFAOYSA-N 1 0 238.306 1.628 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1C ZINC000858296160 588942700 /nfs/dbraw/zinc/94/27/00/588942700.db2.gz KPLVYKLXKXOROV-BJHJDKERSA-N 1 0 235.327 1.870 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000897684644 584040079 /nfs/dbraw/zinc/04/00/79/584040079.db2.gz UKYCONJMBNVKLS-UFBFGSQYSA-N 1 0 241.718 1.858 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897684010 584040301 /nfs/dbraw/zinc/04/03/01/584040301.db2.gz JCLFFDBFUCOINX-ZWNOBZJWSA-N 1 0 221.300 1.513 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c1O ZINC000897818465 584050870 /nfs/dbraw/zinc/05/08/70/584050870.db2.gz JBSLAXBOTYOPGE-JYKNGBAOSA-N 1 0 245.322 1.966 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@]2(C)CCNC2=O)cc1 ZINC000897874420 584056751 /nfs/dbraw/zinc/05/67/51/584056751.db2.gz WZDRTDLKGUEJPY-AWEZNQCLSA-N 1 0 247.342 1.121 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2cn(C)cn2)c(O)c1 ZINC000898042618 584080894 /nfs/dbraw/zinc/08/08/94/584080894.db2.gz UMAXKFYIDGTUBK-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO Cc1cccc(C[NH2+]CC[C@H](O)C2CC2)c1O ZINC000898202146 584089835 /nfs/dbraw/zinc/08/98/35/584089835.db2.gz DTNITSVJNZSPFA-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)[C@@H]1C ZINC000787420567 584119535 /nfs/dbraw/zinc/11/95/35/584119535.db2.gz IYECOHSCTKIPNA-ZYHUDNBSSA-N 1 0 249.310 1.776 20 10 BDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCCON)c(O)c1 ZINC000902424170 584593763 /nfs/dbraw/zinc/59/37/63/584593763.db2.gz JRQNQIOPCVSJNK-NSHDSACASA-N 1 0 238.331 1.940 20 10 BDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCCON)c(O)c1 ZINC000902424166 584593890 /nfs/dbraw/zinc/59/38/90/584593890.db2.gz JRQNQIOPCVSJNK-LLVKDONJSA-N 1 0 238.331 1.940 20 10 BDCDRO [NH3+]CC[C@@H](NCc1cc(F)ccc1O)C(F)F ZINC000841074400 584696592 /nfs/dbraw/zinc/69/65/92/584696592.db2.gz PMAFEBRYCDAJNL-SECBINFHSA-N 1 0 248.248 1.603 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@H](C)[NH3+] ZINC000841076958 584764237 /nfs/dbraw/zinc/76/42/37/584764237.db2.gz UUCLIABKEAKQTN-RYUDHWBXSA-N 1 0 235.375 1.886 20 10 BDCDRO COc1cccc(O)c1CN[C@@H]1C[NH2+]C[C@H]1C ZINC000903960291 584828505 /nfs/dbraw/zinc/82/85/05/584828505.db2.gz CFZBRELQINXCKF-MWLCHTKSSA-N 1 0 236.315 1.098 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@H](F)C1 ZINC000824570266 585028862 /nfs/dbraw/zinc/02/88/62/585028862.db2.gz ABOCJQPLMIVCDV-SECBINFHSA-N 1 0 225.263 1.945 20 10 BDCDRO CC(C)C1(O)C[NH+](Cc2ccccc2O)C1 ZINC000839132786 585093930 /nfs/dbraw/zinc/09/39/30/585093930.db2.gz LRCLUAUDLHAOJA-UHFFFAOYSA-N 1 0 221.300 1.595 20 10 BDCDRO COCCOC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000742377605 585125316 /nfs/dbraw/zinc/12/53/16/585125316.db2.gz WFPZJBKAZDSPMJ-LLVKDONJSA-N 1 0 239.315 1.533 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCOC(C)C ZINC000757979084 585347926 /nfs/dbraw/zinc/34/79/26/585347926.db2.gz XFDJJDAFUHGUTO-UHFFFAOYSA-N 1 0 239.315 1.915 20 10 BDCDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000765794966 585492838 /nfs/dbraw/zinc/49/28/38/585492838.db2.gz GOLGTKMDZJJSCX-NWDGAFQWSA-N 1 0 248.326 1.397 20 10 BDCDRO CCOc1ccc(C[N@@H+]2CC[C@H](O)C2)c(O)c1 ZINC000768410768 585538092 /nfs/dbraw/zinc/53/80/92/585538092.db2.gz ZCIJCJORUUHJEV-NSHDSACASA-N 1 0 237.299 1.358 20 10 BDCDRO Oc1cc2c(cc1C[NH+]1CCCCC1)[C@@H](O)CO2 ZINC000768438706 585538529 /nfs/dbraw/zinc/53/85/29/585538529.db2.gz XFIFZIAQEZZRGU-ZDUSSCGKSA-N 1 0 249.310 1.804 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768443971 585538795 /nfs/dbraw/zinc/53/87/95/585538795.db2.gz KEISHHWBFQAHRR-TVQRCGJNSA-N 1 0 249.310 1.660 20 10 BDCDRO C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768465786 585538972 /nfs/dbraw/zinc/53/89/72/585538972.db2.gz LHKXTFYXLQIWMY-RNCFNFMXSA-N 1 0 249.310 1.802 20 10 BDCDRO CC[N@H+](CCCO)Cc1cc(C)ccc1O ZINC000769484767 585558156 /nfs/dbraw/zinc/55/81/56/585558156.db2.gz ZDLZIEMZXDWLOG-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](CO)CC2CC2)c1O ZINC000776251969 585694053 /nfs/dbraw/zinc/69/40/53/585694053.db2.gz GUMOENMZPYXTFE-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000793820157 586027121 /nfs/dbraw/zinc/02/71/21/586027121.db2.gz KLLDDXKGDQJCTA-MFKMUULPSA-N 1 0 249.310 1.802 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1 ZINC000802657762 586308460 /nfs/dbraw/zinc/30/84/60/586308460.db2.gz QVGSISRXLGMWSV-BETUJISGSA-N 1 0 249.310 1.300 20 10 BDCDRO COc1cccc(O)c1CN(C)CC[NH+](C)C ZINC000809729616 586515461 /nfs/dbraw/zinc/51/54/61/586515461.db2.gz LYSHGZSUBVWCHU-UHFFFAOYSA-N 1 0 238.331 1.394 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCC[S@@](C)=O)c1 ZINC000116919772 589055746 /nfs/dbraw/zinc/05/57/46/589055746.db2.gz ZVEDHOMMCGHSBV-INIZCTEOSA-N 1 0 241.356 1.559 20 10 BDCDRO Cc1cc(C[N@@H+]2CC[C@H](O)C2)ccc1N(C)C ZINC000815037894 586664421 /nfs/dbraw/zinc/66/44/21/586664421.db2.gz YSYPBJQPPHRDFR-ZDUSSCGKSA-N 1 0 234.343 1.628 20 10 BDCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2O)C1 ZINC000816912362 586771228 /nfs/dbraw/zinc/77/12/28/586771228.db2.gz URTYMWAWOSWRCB-LLVKDONJSA-N 1 0 248.326 1.350 20 10 BDCDRO C[C@H](N[C@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817945303 586845894 /nfs/dbraw/zinc/84/58/94/586845894.db2.gz ZBPSFXMPMBJCFF-WPRPVWTQSA-N 1 0 224.279 1.544 20 10 BDCDRO CC[C@H](N[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944914 586846372 /nfs/dbraw/zinc/84/63/72/586846372.db2.gz OYTKDFREGPLTGM-PWSUYJOCSA-N 1 0 220.316 1.795 20 10 BDCDRO CC[C@H](NC1C[NH2+]C1)c1ccc(F)cc1O ZINC000817955666 586847095 /nfs/dbraw/zinc/84/70/95/586847095.db2.gz DTUTWYCORSDCEH-NSHDSACASA-N 1 0 224.279 1.544 20 10 BDCDRO C[C@H](NC1C[NH2+]C1)c1ccc(F)cc1O ZINC000817956027 586847105 /nfs/dbraw/zinc/84/71/05/586847105.db2.gz OBQKONCWIIOISV-ZETCQYMHSA-N 1 0 210.252 1.154 20 10 BDCDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000817953306 586848820 /nfs/dbraw/zinc/84/88/20/586848820.db2.gz ZTIDAOBFFIIORT-MNOVXSKESA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@H](NC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817955523 586850045 /nfs/dbraw/zinc/85/00/45/586850045.db2.gz XXLLXMBYNHQYOQ-JTQLQIEISA-N 1 0 219.332 1.375 20 10 BDCDRO CO[C@H](C)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956323 586850333 /nfs/dbraw/zinc/85/03/33/586850333.db2.gz WJAPVKXGDPGUNU-WDEREUQCSA-N 1 0 222.332 1.824 20 10 BDCDRO C[C@H]1COCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957639 586850522 /nfs/dbraw/zinc/85/05/22/586850522.db2.gz NHBJGIHSTBYUOL-SMDDNHRTSA-N 1 0 234.343 1.826 20 10 BDCDRO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)ccc1O ZINC000817977310 586861641 /nfs/dbraw/zinc/86/16/41/586861641.db2.gz HGJYDTGDOHKKSU-UVRHIYEWSA-N 1 0 236.290 1.400 20 10 BDCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000824703188 587283372 /nfs/dbraw/zinc/28/33/72/587283372.db2.gz XUMFJJQFVQDQKZ-NEPJUHHUSA-N 1 0 249.310 1.824 20 10 BDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1O ZINC000825197212 587309943 /nfs/dbraw/zinc/30/99/43/587309943.db2.gz VERMVHLNMGJCQL-DGCLKSJQSA-N 1 0 237.299 1.286 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CO)cc1Cl ZINC000825319763 587314711 /nfs/dbraw/zinc/31/47/11/587314711.db2.gz BGWYHPHSAJKIMS-QMMMGPOBSA-N 1 0 229.707 1.824 20 10 BDCDRO OCCC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000825338942 587316143 /nfs/dbraw/zinc/31/61/43/587316143.db2.gz WXWQCBCVYFMAOP-LBPRGKRZSA-N 1 0 235.327 1.987 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827290500 587375457 /nfs/dbraw/zinc/37/54/57/587375457.db2.gz HHXILKYBZWJHQT-GXFFZTMASA-N 1 0 237.274 1.488 20 10 BDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000827501635 587384209 /nfs/dbraw/zinc/38/42/09/587384209.db2.gz ZERWDJJXOSCJLH-TXEJJXNPSA-N 1 0 249.310 1.742 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)C2(CO)CC2)c1 ZINC000827904154 587409647 /nfs/dbraw/zinc/40/96/47/587409647.db2.gz VIZJYXISCNMWRQ-UHFFFAOYSA-N 1 0 237.299 1.358 20 10 BDCDRO Nc1ccc(CCNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000832659304 587675425 /nfs/dbraw/zinc/67/54/25/587675425.db2.gz ZJDWNCSSGRUWTG-CYBMUJFWSA-N 1 0 247.342 1.055 20 10 BDCDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000834460321 587755668 /nfs/dbraw/zinc/75/56/68/587755668.db2.gz GMUMQLUXXLRPIH-ZYHUDNBSSA-N 1 0 247.342 1.007 20 10 BDCDRO Nc1ccc(CC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000834860620 587768830 /nfs/dbraw/zinc/76/88/30/587768830.db2.gz CKRAUQBJEQKKQX-AAEUAGOBSA-N 1 0 247.342 1.055 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928580 587930041 /nfs/dbraw/zinc/93/00/41/587930041.db2.gz ZMVSDWVWILLNMX-CYBMUJFWSA-N 1 0 236.359 1.922 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCCO ZINC000840941123 587930750 /nfs/dbraw/zinc/93/07/50/587930750.db2.gz SNQDQIUMNJLSKM-UHFFFAOYSA-N 1 0 236.359 1.923 20 10 BDCDRO [O-]c1c(F)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026506 587935246 /nfs/dbraw/zinc/93/52/46/587935246.db2.gz FQZXJCUTMSISEO-UHFFFAOYSA-N 1 0 224.279 1.373 20 10 BDCDRO CN(C)c1ccc(CNCC(C)(C)[NH3+])cc1F ZINC000841031005 587936373 /nfs/dbraw/zinc/93/63/73/587936373.db2.gz NRPAIQHTPCJKTQ-UHFFFAOYSA-N 1 0 239.338 1.719 20 10 BDCDRO [NH3+][C@@H](CNCc1c(O)cccc1Cl)C1CC1 ZINC000841048938 587940186 /nfs/dbraw/zinc/94/01/86/587940186.db2.gz HHAGRDNMHTXYPV-NSHDSACASA-N 1 0 240.734 1.873 20 10 BDCDRO C[C@H]1CC[NH2+]C[C@H]1NCc1cc(F)ccc1O ZINC000841058453 587940809 /nfs/dbraw/zinc/94/08/09/587940809.db2.gz HEMWVDSLODJIKO-JOYOIKCWSA-N 1 0 238.306 1.619 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@H](C)C[NH3+] ZINC000841060868 587941336 /nfs/dbraw/zinc/94/13/36/587941336.db2.gz RIHTWBCWANFFEH-LLVKDONJSA-N 1 0 221.348 1.498 20 10 BDCDRO Cc1cc(O)c(CN[C@@H](C)C[NH3+])c(Cl)c1 ZINC000841065363 587941776 /nfs/dbraw/zinc/94/17/76/587941776.db2.gz BKBVHYVYIMNNAD-QMMMGPOBSA-N 1 0 228.723 1.791 20 10 BDCDRO CCN(CC)c1ccc(CN[C@@H](C)C[NH3+])cc1 ZINC000841063507 587942237 /nfs/dbraw/zinc/94/22/37/587942237.db2.gz KYLUMQASRUJLPW-LBPRGKRZSA-N 1 0 235.375 1.970 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000841065573 587942443 /nfs/dbraw/zinc/94/24/43/587942443.db2.gz QRLQCXLMLDMUDE-AAEUAGOBSA-N 1 0 234.343 1.931 20 10 BDCDRO [NH3+]CC[C@H](NCc1ccccc1O)C(F)F ZINC000841073262 587944402 /nfs/dbraw/zinc/94/44/02/587944402.db2.gz GKVDUJYSDMTNNK-VIFPVBQESA-N 1 0 230.258 1.464 20 10 BDCDRO C[C@@H](NCc1ccc2c(c1)CCO2)[C@H](C)[NH3+] ZINC000841078628 587944582 /nfs/dbraw/zinc/94/45/82/587944582.db2.gz GMWHQKDSQOZCLY-VHSXEESVSA-N 1 0 220.316 1.447 20 10 BDCDRO [O-]c1c(Cl)cccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077231 587945095 /nfs/dbraw/zinc/94/50/95/587945095.db2.gz FINBWUMBNZEGNG-JZYVYDRUSA-N 1 0 238.718 1.353 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1O ZINC000841077575 587945129 /nfs/dbraw/zinc/94/51/29/587945129.db2.gz BURCXSLURNCRRT-RYUDHWBXSA-N 1 0 238.306 1.490 20 10 BDCDRO CCOc1ccc(O)c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841079128 587945196 /nfs/dbraw/zinc/94/51/96/587945196.db2.gz ZCXOGYYKUYNSLR-IMRBUKKESA-N 1 0 248.326 1.098 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccccc1O ZINC000841760661 587974217 /nfs/dbraw/zinc/97/42/17/587974217.db2.gz XOFGGIJJIBUVPN-OUJBWJOFSA-N 1 0 221.300 1.956 20 10 BDCDRO CCOc1ccc(CN2CC[C@H]([NH3+])C2)c(O)c1 ZINC000843047424 588076107 /nfs/dbraw/zinc/07/61/07/588076107.db2.gz UXUVONKJKSFTFN-NSHDSACASA-N 1 0 236.315 1.324 20 10 BDCDRO CC1(C)C[NH2+]CCN1Cc1cccc(F)c1O ZINC000843054472 588076855 /nfs/dbraw/zinc/07/68/55/588076855.db2.gz NCLMVNRNHIEOOW-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO Cc1cccc(CN2CCC[C@@H]2C[NH3+])c1O ZINC000843054508 588076901 /nfs/dbraw/zinc/07/69/01/588076901.db2.gz OZFPJGYNKAOMOC-GFCCVEGCSA-N 1 0 220.316 1.624 20 10 BDCDRO C[NH2+]C1CCN(Cc2cccc(F)c2O)CC1 ZINC000843049728 588077016 /nfs/dbraw/zinc/07/70/16/588077016.db2.gz UUDAFHGRPRQCAX-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000843503280 588117457 /nfs/dbraw/zinc/11/74/57/588117457.db2.gz JTDPUANMNLLOTO-ZJUUUORDSA-N 1 0 235.331 1.053 20 10 BDCDRO C[C@@H](CCO)[N@H+](C)Cc1cc(F)ccc1O ZINC000846111580 588257446 /nfs/dbraw/zinc/25/74/46/588257446.db2.gz QVZWXEBWHZCBNT-VIFPVBQESA-N 1 0 227.279 1.734 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]C[C@H](C)O)c1O ZINC000846138299 588258515 /nfs/dbraw/zinc/25/85/15/588258515.db2.gz QEOVCYYSVFFBJN-DTWKUNHWSA-N 1 0 225.288 1.432 20 10 BDCDRO OC[C@@H](CCF)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000846210318 588260102 /nfs/dbraw/zinc/26/01/02/588260102.db2.gz XZNCRZMAPNEVPG-GHMZBOCLSA-N 1 0 239.290 1.690 20 10 BDCDRO C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000846701861 588283607 /nfs/dbraw/zinc/28/36/07/588283607.db2.gz DUANCMORAXKYFR-MWLCHTKSSA-N 1 0 238.306 1.843 20 10 BDCDRO CCc1cccc(C[N@H+](C)C[C@@H](C)O)c1O ZINC000848902969 588418293 /nfs/dbraw/zinc/41/82/93/588418293.db2.gz VWKULVCQGJIOBM-SNVBAGLBSA-N 1 0 223.316 1.767 20 10 BDCDRO CCc1cccc(C[NH+]2CC(C)(CO)C2)c1O ZINC000848916852 588420846 /nfs/dbraw/zinc/42/08/46/588420846.db2.gz NUPHSFDXUAVMTF-UHFFFAOYSA-N 1 0 235.327 1.769 20 10 BDCDRO CCN(CC)C(=[NH2+])NCc1ccccc1O ZINC000848985038 588425373 /nfs/dbraw/zinc/42/53/73/588425373.db2.gz YKZGZZBELYCNCV-UHFFFAOYSA-N 1 0 221.304 1.758 20 10 BDCDRO COc1ccc(N2CC[C@@H](CNC(N)=[NH2+])C2)cc1 ZINC000849043964 588449054 /nfs/dbraw/zinc/44/90/54/588449054.db2.gz NETXLMUWHJSOGS-JTQLQIEISA-N 1 0 248.330 1.005 20 10 BDCDRO COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1O ZINC000850113625 588520514 /nfs/dbraw/zinc/52/05/14/588520514.db2.gz OYHCZLMWQNRPRJ-ZMLRMANQSA-N 1 0 249.310 1.679 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+]C/C=C\CO)cc1 ZINC000850358044 588539460 /nfs/dbraw/zinc/53/94/60/588539460.db2.gz ZYEWQRXIXVAUCJ-DNVGVPOPSA-N 1 0 246.354 1.904 20 10 BDCDRO CON(C)CC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000850478985 588550353 /nfs/dbraw/zinc/55/03/53/588550353.db2.gz JGRGCPVILFECPJ-NSHDSACASA-N 1 0 238.331 1.844 20 10 BDCDRO CC[C@H]([NH2+][C@H]1CCNC1=O)c1ccc(C)cc1O ZINC000850481257 588551446 /nfs/dbraw/zinc/55/14/46/588551446.db2.gz IFNAYRGLZOGLSI-RYUDHWBXSA-N 1 0 248.326 1.630 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1C[C@H](O)C1)CC2 ZINC000850579049 588561891 /nfs/dbraw/zinc/56/18/91/588561891.db2.gz RHOLVERVFLHICK-DCAQKATOSA-N 1 0 219.284 1.492 20 10 BDCDRO CC[C@@H]([NH2+]C)C(=O)Nc1ccc(N)cc1 ZINC000852790858 588701842 /nfs/dbraw/zinc/70/18/42/588701842.db2.gz UZHZZLGOIDEYLH-SNVBAGLBSA-N 1 0 207.277 1.205 20 10 BDCDRO CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccccc1O ZINC000852882874 588711237 /nfs/dbraw/zinc/71/12/37/588711237.db2.gz BUEILKBWAAZYQQ-GFCCVEGCSA-N 1 0 248.326 1.397 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC1COC1 ZINC000862531459 589218161 /nfs/dbraw/zinc/21/81/61/589218161.db2.gz HDBVWYLGFSGGTC-UHFFFAOYSA-N 1 0 234.343 1.797 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN(C)C[C@H](C)[NH3+] ZINC000863652797 589305988 /nfs/dbraw/zinc/30/59/88/589305988.db2.gz WZCQZQPXAGDPGT-LBPRGKRZSA-N 1 0 235.375 1.840 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](CO)C2)cc1C ZINC000865662648 589455149 /nfs/dbraw/zinc/45/51/49/589455149.db2.gz GZHOOFBTVYMQTB-BJHJDKERSA-N 1 0 235.327 1.870 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000865691544 589456400 /nfs/dbraw/zinc/45/64/00/589456400.db2.gz BPDYSAVFDPYIFS-SZWZKDINSA-N 1 0 245.322 1.905 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000866421048 589491588 /nfs/dbraw/zinc/49/15/88/589491588.db2.gz VGJXPMAPCXAGSA-XWIASGKRSA-N 1 0 237.299 1.111 20 10 BDCDRO C[C@@H](NC(=O)[C@@H](C)C[NH3+])c1ccccc1O ZINC000870988426 589706763 /nfs/dbraw/zinc/70/67/63/589706763.db2.gz PBKVOIUTUIXQBN-DTWKUNHWSA-N 1 0 222.288 1.164 20 10 BDCDRO C[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000870988676 589706881 /nfs/dbraw/zinc/70/68/81/589706881.db2.gz WNXNPEQXXGGETJ-QWRGUYRKSA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@@H]([NH3+])CCC(=O)N[C@H](C)c1ccccc1O ZINC000870988429 589706899 /nfs/dbraw/zinc/70/68/99/589706899.db2.gz PDNNQAGSIKKXDJ-NXEZZACHSA-N 1 0 236.315 1.697 20 10 BDCDRO C[C@@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988072 589706921 /nfs/dbraw/zinc/70/69/21/589706921.db2.gz FWQVTYRFTXPGIY-GHMZBOCLSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000870988677 589707296 /nfs/dbraw/zinc/70/72/96/589707296.db2.gz WNXNPEQXXGGETJ-WDEREUQCSA-N 1 0 248.326 1.569 20 10 BDCDRO C[N@@H+]1CCC[C@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202208 589744599 /nfs/dbraw/zinc/74/45/99/589744599.db2.gz AFNOUPXQFHCZLW-LBPRGKRZSA-N 1 0 246.310 1.329 20 10 BDCDRO CC[S@@](=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000123703315 589772163 /nfs/dbraw/zinc/77/21/63/589772163.db2.gz HICRLCFOIMHBJN-INIZCTEOSA-N 1 0 241.356 1.559 20 10 BDCDRO CC(C)[C@@H](C[NH3+])CNc1ccc(N)cc1 ZINC000873210571 589993754 /nfs/dbraw/zinc/99/37/54/589993754.db2.gz KGPWTIFSUFGIND-JTQLQIEISA-N 1 0 207.321 1.912 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000124480308 590023231 /nfs/dbraw/zinc/02/32/31/590023231.db2.gz LHPIIHRKWZXHPJ-CQSZACIVSA-N 1 0 248.370 1.930 20 10 BDCDRO COC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876501227 590203003 /nfs/dbraw/zinc/20/30/03/590203003.db2.gz KZHCEMBQYPXDAL-LLVKDONJSA-N 1 0 237.303 1.108 20 10 BDCDRO CCC[N@H+](CCO)Cc1ccc(C)cc1O ZINC000876537803 590211690 /nfs/dbraw/zinc/21/16/90/590211690.db2.gz CTCZRTGCXRDVHN-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO Cc1ccc(C[N@H+](CCO)C2CC2)c(O)c1 ZINC000876579119 590218038 /nfs/dbraw/zinc/21/80/38/590218038.db2.gz BIHZHVRIJHNOTM-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1O ZINC000876815173 590245970 /nfs/dbraw/zinc/24/59/70/590245970.db2.gz NMDXWJLVJMEFJM-BXUZGUMPSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C1CCOCC1 ZINC000876948125 590260031 /nfs/dbraw/zinc/26/00/31/590260031.db2.gz GKUVBTQNPOIPJY-UHFFFAOYSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H](O)C(F)(F)F)c(O)c1 ZINC000876965716 590262152 /nfs/dbraw/zinc/26/21/52/590262152.db2.gz IUGPIJGFNFSJLY-JTQLQIEISA-N 1 0 249.232 1.713 20 10 BDCDRO COCCOCC[NH2+]Cc1c(C)cccc1O ZINC000876968706 590262347 /nfs/dbraw/zinc/26/23/47/590262347.db2.gz JQPMJHRQWBYYFM-UHFFFAOYSA-N 1 0 239.315 1.453 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)c2nncn2C)c(O)c1 ZINC000877016426 590269570 /nfs/dbraw/zinc/26/95/70/590269570.db2.gz GHWJWPJHWPQQDF-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@](C)(O)C1CC1 ZINC000877028655 590271678 /nfs/dbraw/zinc/27/16/78/590271678.db2.gz CFGVHBCSEBKTLH-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO COC[C@@H](CCO)[NH2+]Cc1c(C)cccc1O ZINC000877048316 590274389 /nfs/dbraw/zinc/27/43/89/590274389.db2.gz KSAHLSMDHNTZNA-LLVKDONJSA-N 1 0 239.315 1.188 20 10 BDCDRO C[C@H]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C[NH2+]1 ZINC000877047527 590274411 /nfs/dbraw/zinc/27/44/11/590274411.db2.gz BQELDEOUYDMGSA-GXFFZTMASA-N 1 0 247.342 1.068 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2O)c(O)c1 ZINC000877071442 590277524 /nfs/dbraw/zinc/27/75/24/590277524.db2.gz NWOMKGZRVDBHPS-WCQYABFASA-N 1 0 235.327 1.951 20 10 BDCDRO CC[C@]1(C(=O)N(C)c2ccc(N)cc2)CCC[NH2+]1 ZINC000877077367 590278775 /nfs/dbraw/zinc/27/87/75/590278775.db2.gz FTQPZZZACYYVAP-CQSZACIVSA-N 1 0 247.342 1.764 20 10 BDCDRO CN(C(=O)[C@@H]([NH3+])C1CCC1)c1ccc(N)cc1 ZINC000877076978 590278910 /nfs/dbraw/zinc/27/89/10/590278910.db2.gz ZJDVKZCFAGQLMN-LBPRGKRZSA-N 1 0 233.315 1.359 20 10 BDCDRO CN(C(=O)CC1([NH3+])CCC1)c1ccc(N)cc1 ZINC000877078847 590279257 /nfs/dbraw/zinc/27/92/57/590279257.db2.gz HGQAHRSGZXJFSF-UHFFFAOYSA-N 1 0 233.315 1.503 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CC(N)=O ZINC000877094857 590281553 /nfs/dbraw/zinc/28/15/53/590281553.db2.gz UWNYBMFZFJVICU-VIFPVBQESA-N 1 0 222.288 1.054 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877112832 590287553 /nfs/dbraw/zinc/28/75/53/590287553.db2.gz YLZZGKPLKONVQM-LBPRGKRZSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+]C2(CO)CCC2)c(O)c1 ZINC000877140230 590291711 /nfs/dbraw/zinc/29/17/11/590291711.db2.gz BXAGWQLOXTYFHD-UHFFFAOYSA-N 1 0 221.300 1.705 20 10 BDCDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(C)cc1O ZINC000877155636 590293242 /nfs/dbraw/zinc/29/32/42/590293242.db2.gz ISKOJCZVJHBOAE-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(C[NH2+]C2(CO)CC2)c(O)c1 ZINC000877164477 590294840 /nfs/dbraw/zinc/29/48/40/590294840.db2.gz SKEYJLDUUXOXHN-UHFFFAOYSA-N 1 0 207.273 1.315 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@H](C)O ZINC000877195270 590299454 /nfs/dbraw/zinc/29/94/54/590299454.db2.gz FWVZDSPZDRFHBD-QWRGUYRKSA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccccc1O ZINC000877255889 590304185 /nfs/dbraw/zinc/30/41/85/590304185.db2.gz JPOIIGBFMPROBM-IQIPOGNMSA-N 1 0 246.310 1.320 20 10 BDCDRO C[C@H](NC(=O)CCC1C[NH2+]C1)c1ccccc1O ZINC000877256830 590304485 /nfs/dbraw/zinc/30/44/85/590304485.db2.gz FXQPQYUJAAJJHQ-JTQLQIEISA-N 1 0 248.326 1.569 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCCn1ccnn1 ZINC000877309487 590312478 /nfs/dbraw/zinc/31/24/78/590312478.db2.gz MBGCKLADAZVGEO-UHFFFAOYSA-N 1 0 246.314 1.472 20 10 BDCDRO Cc1ccc(C[NH2+]CCC(C)(C)O)c(O)c1 ZINC000877421788 590325602 /nfs/dbraw/zinc/32/56/02/590325602.db2.gz NXROYYIGNOBLJN-UHFFFAOYSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c(O)c1 ZINC000877430720 590326226 /nfs/dbraw/zinc/32/62/26/590326226.db2.gz POQAZVNFQOALQQ-QWHCGFSZSA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c(O)c1 ZINC000877468070 590334396 /nfs/dbraw/zinc/33/43/96/590334396.db2.gz YCMCPUSIMCDOAG-JQWIXIFHSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)C1CC1 ZINC000877526505 590348178 /nfs/dbraw/zinc/34/81/78/590348178.db2.gz SAZGLVUEWSUZTL-ZDUSSCGKSA-N 1 0 221.300 1.561 20 10 BDCDRO Cc1ccc(C[N@H+](C)C[C@@H](O)C2CC2)c(O)c1 ZINC000877527712 590348881 /nfs/dbraw/zinc/34/88/81/590348881.db2.gz OCJLZTMYDVZNEK-CQSZACIVSA-N 1 0 235.327 1.903 20 10 BDCDRO CCC[N@H+](CC(N)=O)Cc1ccc(C)cc1O ZINC000877547654 590354494 /nfs/dbraw/zinc/35/44/94/590354494.db2.gz FGQNDCBOMBXMOS-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000877575433 590363859 /nfs/dbraw/zinc/36/38/59/590363859.db2.gz TZYHKBFZIQXAFS-DGCLKSJQSA-N 1 0 235.327 1.951 20 10 BDCDRO CCNC(=O)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877580147 590364780 /nfs/dbraw/zinc/36/47/80/590364780.db2.gz FRIJXLNUCHJCFI-UHFFFAOYSA-N 1 0 248.326 1.269 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c(O)c1 ZINC000877653344 590385363 /nfs/dbraw/zinc/38/53/63/590385363.db2.gz HSBLRYUNBKLUGG-XYPYZODXSA-N 1 0 234.299 1.054 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C)COC1 ZINC000877691910 590392678 /nfs/dbraw/zinc/39/26/78/590392678.db2.gz XIHUOBMYRRXZNB-UHFFFAOYSA-N 1 0 234.343 1.940 20 10 BDCDRO C[C@H]([NH2+]CC[C@H]1CCOC1=O)c1ccccc1O ZINC000879651318 590843459 /nfs/dbraw/zinc/84/34/59/590843459.db2.gz RCVVZUFPHCBRKU-QWRGUYRKSA-N 1 0 249.310 1.996 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000128319961 590979146 /nfs/dbraw/zinc/97/91/46/590979146.db2.gz JMLWGGLIQUVZGU-MRVPVSSYSA-N 1 0 226.707 1.579 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880418544 591028173 /nfs/dbraw/zinc/02/81/73/591028173.db2.gz CBBWEHPFQATLOC-UKRRQHHQSA-N 1 0 246.354 1.709 20 10 BDCDRO CC(C)[N@@H+](Cc1ccccc1O)C[C@H](C)O ZINC000128552771 591119828 /nfs/dbraw/zinc/11/98/28/591119828.db2.gz BBALSPDLIZQGGQ-NSHDSACASA-N 1 0 223.316 1.983 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000128873090 591172097 /nfs/dbraw/zinc/17/20/97/591172097.db2.gz FNHKIBQONQSDNI-CYBMUJFWSA-N 1 0 233.359 1.546 20 10 BDCDRO COc1cc(Cl)cc(CN(C)CC[NH3+])c1O ZINC000132388650 591705476 /nfs/dbraw/zinc/70/54/76/591705476.db2.gz NHYSYPKRCPDPOB-UHFFFAOYSA-N 1 0 244.722 1.445 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H](N(C)C)C2)c1 ZINC000134165020 591898495 /nfs/dbraw/zinc/89/84/95/591898495.db2.gz XIRBOCTXSSEDML-ZDUSSCGKSA-N 1 0 234.343 1.837 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000884348439 591909791 /nfs/dbraw/zinc/90/97/91/591909791.db2.gz ZFIGXWRVXIIBTA-VXGBXAGGSA-N 1 0 247.342 1.053 20 10 BDCDRO CN(C(=O)[C@H]1C[NH2+]CC1(C)C)c1ccc(N)cc1 ZINC000884441486 591934931 /nfs/dbraw/zinc/93/49/31/591934931.db2.gz JRBHMVMIAXTFNV-GFCCVEGCSA-N 1 0 247.342 1.477 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H](O)c1ccco1 ZINC000135559984 592018016 /nfs/dbraw/zinc/01/80/16/592018016.db2.gz NTAGSVITIXLRQH-LBPRGKRZSA-N 1 0 233.267 1.808 20 10 BDCDRO C[C@H](CC[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000220487223 592313347 /nfs/dbraw/zinc/31/33/47/592313347.db2.gz CWAGDRJHWMUWLU-LLVKDONJSA-N 1 0 221.348 1.580 20 10 BDCDRO CCOCC[N@H+](C)Cc1ccccc1O ZINC000096868852 635540457 /nfs/dbraw/zinc/54/04/57/635540457.db2.gz WHSJLUCAZYEMSX-UHFFFAOYSA-N 1 0 209.289 1.861 20 10 BDCDRO CN(C)c1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC000234265214 635552318 /nfs/dbraw/zinc/55/23/18/635552318.db2.gz GHFAYZIWMKDTNV-CYBMUJFWSA-N 1 0 233.359 1.594 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CNOC2)c(O)c1C ZINC000925861515 635556125 /nfs/dbraw/zinc/55/61/25/635556125.db2.gz DCHJCSIXERGAJR-GHMZBOCLSA-N 1 0 236.315 1.563 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000236513959 635600562 /nfs/dbraw/zinc/60/05/62/635600562.db2.gz SQMNFJDJQVRQGV-LBPRGKRZSA-N 1 0 225.263 1.392 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)CC[NH2+]1 ZINC000084942846 631455260 /nfs/dbraw/zinc/45/52/60/631455260.db2.gz OYQWNBZSFZTHQY-GFCCVEGCSA-N 1 0 233.359 1.546 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934013195 631592831 /nfs/dbraw/zinc/59/28/31/631592831.db2.gz GFOZJSOVUIJEJE-CQSZACIVSA-N 1 0 234.343 1.709 20 10 BDCDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000309580578 632543899 /nfs/dbraw/zinc/54/38/99/632543899.db2.gz QFZIMLMKUJXIER-NSHDSACASA-N 1 0 225.263 1.392 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000162198110 632546574 /nfs/dbraw/zinc/54/65/74/632546574.db2.gz LYTVOLGQKZRPPR-NXEZZACHSA-N 1 0 209.289 1.814 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000162197852 632548377 /nfs/dbraw/zinc/54/83/77/632548377.db2.gz LYTVOLGQKZRPPR-VHSXEESVSA-N 1 0 209.289 1.814 20 10 BDCDRO Cn1cncc1C[NH2+]Cc1cc(F)ccc1O ZINC000291587344 632651394 /nfs/dbraw/zinc/65/13/94/632651394.db2.gz PMYMWIVSAHDLLQ-UHFFFAOYSA-N 1 0 235.262 1.555 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000163988446 633068184 /nfs/dbraw/zinc/06/81/84/633068184.db2.gz JRLIEGIHMNPHAY-BDAKNGLRSA-N 1 0 222.288 1.307 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000309517090 633184079 /nfs/dbraw/zinc/18/40/79/633184079.db2.gz AGIRNMABKNTSKJ-ZYHUDNBSSA-N 1 0 225.263 1.534 20 10 BDCDRO O=C1CC[C@@H](C[NH2+][C@H]2CCc3cccc(O)c32)N1 ZINC000311059541 634209183 /nfs/dbraw/zinc/20/91/83/634209183.db2.gz JWOQQGTUYSUDIX-QWRGUYRKSA-N 1 0 246.310 1.248 20 10 BDCDRO Cc1cccc(C[NH2+][C@]2(C)CCOC2)c1O ZINC000162714948 634303424 /nfs/dbraw/zinc/30/34/24/634303424.db2.gz SLBMBEVPMVSCRU-CYBMUJFWSA-N 1 0 221.300 1.969 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1C[NH3+] ZINC000163405862 636693237 /nfs/dbraw/zinc/69/32/37/636693237.db2.gz KFVCFYCSMTYJDP-AAEUAGOBSA-N 1 0 234.343 1.809 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1cccc(OC)c1O ZINC000077453144 636856494 /nfs/dbraw/zinc/85/64/94/636856494.db2.gz DNDUQCFURPDWOQ-NSHDSACASA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H]([NH2+]Cc1cc[nH]n1)c1ccccc1O ZINC000041014121 636950932 /nfs/dbraw/zinc/95/09/32/636950932.db2.gz XPRVGRJUPIZNFH-VIFPVBQESA-N 1 0 217.272 1.966 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCON ZINC000904457383 637419727 /nfs/dbraw/zinc/41/97/27/637419727.db2.gz MJXLWQZRWOUXSM-UHFFFAOYSA-N 1 0 237.347 1.431 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930217687 639638473 /nfs/dbraw/zinc/63/84/73/639638473.db2.gz ZDDAEWXPEBKUFJ-QMMMGPOBSA-N 1 0 240.259 1.328 20 10 BDCDRO Nc1ccc(CCNC(=O)CC2CC([NH3+])C2)cc1 ZINC000911782223 639800686 /nfs/dbraw/zinc/80/06/86/639800686.db2.gz FFESEBKURXYRRU-UHFFFAOYSA-N 1 0 247.342 1.055 20 10 BDCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccccc1O ZINC000164460941 640484356 /nfs/dbraw/zinc/48/43/56/640484356.db2.gz HSAHIEWZJYYFIA-UWVGGRQHSA-N 1 0 209.289 1.641 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC2(O)CCC2)c1 ZINC000164699461 640500689 /nfs/dbraw/zinc/50/06/89/640500689.db2.gz VWLDCRSJPGKWHG-UHFFFAOYSA-N 1 0 237.299 1.405 20 10 BDCDRO Cc1ccc(C[NH2+]C(C)(C)CO)c(O)c1 ZINC000083345894 640519461 /nfs/dbraw/zinc/51/94/61/640519461.db2.gz DMWNHBBDXVOHEO-UHFFFAOYSA-N 1 0 209.289 1.561 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1O ZINC000228421968 640874137 /nfs/dbraw/zinc/87/41/37/640874137.db2.gz SNSDKJUIOKJBOE-ONGXEEELSA-N 1 0 234.299 1.006 20 10 BDCDRO CC[C@H](C(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000062460933 641051154 /nfs/dbraw/zinc/05/11/54/641051154.db2.gz AOKIZTRXJWOUFJ-LLVKDONJSA-N 1 0 221.304 1.548 20 10 BDCDRO Cc1cccc(C[NH2+]CCc2ccn(C)n2)c1O ZINC000230943486 641119073 /nfs/dbraw/zinc/11/90/73/641119073.db2.gz QSZJIAPTZKGMRK-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1c(O)cccc1Cl ZINC000158895837 641657168 /nfs/dbraw/zinc/65/71/68/641657168.db2.gz MUYRELKHUHQZDZ-ZETCQYMHSA-N 1 0 242.706 1.399 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077453697 641857427 /nfs/dbraw/zinc/85/74/27/641857427.db2.gz SBUZPCDBMYWKPN-ZDUSSCGKSA-N 1 0 235.327 1.872 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CC2CC(O)C2)cc1 ZINC000191168044 641904498 /nfs/dbraw/zinc/90/44/98/641904498.db2.gz GZLOPDZCJSRJJZ-UHFFFAOYSA-N 1 0 248.370 1.955 20 10 BDCDRO C[C@@H]([NH2+]CC1(CO)CC1)c1ccccc1O ZINC000154741879 642214523 /nfs/dbraw/zinc/21/45/23/642214523.db2.gz QATNFOVSOLLTIC-SNVBAGLBSA-N 1 0 221.300 1.815 20 10 BDCDRO C[C@H]([NH2+]CC1(CO)CC1)c1ccccc1O ZINC000154741771 642214715 /nfs/dbraw/zinc/21/47/15/642214715.db2.gz QATNFOVSOLLTIC-JTQLQIEISA-N 1 0 221.300 1.815 20 10 BDCDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccccc1O ZINC000179558828 642725456 /nfs/dbraw/zinc/72/54/56/642725456.db2.gz ZVZBHXFMJJFVTC-PWSUYJOCSA-N 1 0 248.326 1.478 20 10 BDCDRO C[NH2+]CCN(C)Cc1cc(C)ccc1O ZINC000069801214 642917744 /nfs/dbraw/zinc/91/77/44/642917744.db2.gz AUTRVXKMYDVJJI-UHFFFAOYSA-N 1 0 208.305 1.352 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H](C)[NH2+][C@H](C)C2)c1 ZINC000070075569 642961387 /nfs/dbraw/zinc/96/13/87/642961387.db2.gz CUGTXCUNGVNVJU-VXGBXAGGSA-N 1 0 234.343 1.883 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+]CC2)c1 ZINC000070955766 643087466 /nfs/dbraw/zinc/08/74/66/643087466.db2.gz VBWCHVVSZCVMPN-UHFFFAOYSA-N 1 0 206.289 1.106 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2nccn2C)c1 ZINC000071409407 643141702 /nfs/dbraw/zinc/14/17/02/643141702.db2.gz IEXXVGUSQOFTRX-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO C[C@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1O ZINC000083368873 643441063 /nfs/dbraw/zinc/44/10/63/643441063.db2.gz AESBLMFNBKDVMY-VIFPVBQESA-N 1 0 240.734 1.839 20 10 BDCDRO CN(Cc1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC000070892617 643466375 /nfs/dbraw/zinc/46/63/75/643466375.db2.gz WQVZDDGVZPLPNI-LLVKDONJSA-N 1 0 206.289 1.186 20 10 BDCDRO C[N@@H+]1CC[C@@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000735688507 643553104 /nfs/dbraw/zinc/55/31/04/643553104.db2.gz XBIIOIHGBROAEY-QMMMGPOBSA-N 1 0 240.328 1.135 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1O ZINC000050394507 643694534 /nfs/dbraw/zinc/69/45/34/643694534.db2.gz DCFJVIQDGRVSHP-GXSJLCMTSA-N 1 0 234.299 1.321 20 10 BDCDRO CC[C@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1O ZINC000050394197 643695782 /nfs/dbraw/zinc/69/57/82/643695782.db2.gz QGFJNIYGQRQOOX-NWDGAFQWSA-N 1 0 248.326 1.712 20 10 BDCDRO CN1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922574361 644027748 /nfs/dbraw/zinc/02/77/48/644027748.db2.gz KSEKXCLMBKUICT-CQSZACIVSA-N 1 0 246.354 1.805 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000086467020 644139206 /nfs/dbraw/zinc/13/92/06/644139206.db2.gz PRPHOYXHQQRYFY-RYUDHWBXSA-N 1 0 234.343 1.883 20 10 BDCDRO Cc1cc(CN2CCC[C@@H]2C[NH3+])ccc1N(C)C ZINC000923291049 644325264 /nfs/dbraw/zinc/32/52/64/644325264.db2.gz AEQPCPQFPBSMKI-CQSZACIVSA-N 1 0 247.386 1.984 20 10 BDCDRO Cc1cc(CN2C[C@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923412915 644414571 /nfs/dbraw/zinc/41/45/71/644414571.db2.gz KYJIUBWCPIEFQH-GXTWGEPZSA-N 1 0 247.386 1.983 20 10 BDCDRO OC[C@@H](CCF)[NH2+]Cc1c(O)cccc1Cl ZINC000846096537 645403046 /nfs/dbraw/zinc/40/30/46/645403046.db2.gz IRYVPPGSYCMYGH-MRVPVSSYSA-N 1 0 247.697 1.856 20 10 BDCDRO C[C@H](O)C[N@H+](Cc1ccccc1O)C1CC1 ZINC000848928620 645443694 /nfs/dbraw/zinc/44/36/94/645443694.db2.gz JCEWOWOPMLVSLJ-JTQLQIEISA-N 1 0 221.300 1.737 20 10 BDCDRO CCn1cc(C[NH2+]Cc2c(C)cccc2O)nn1 ZINC000877627859 645802849 /nfs/dbraw/zinc/80/28/49/645802849.db2.gz XWKMIBHEBSVGGD-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO Oc1cc2c(cc1C[NH2+]C1CSC1)OCO2 ZINC000701972475 712033649 /nfs/dbraw/zinc/03/36/49/712033649.db2.gz JOFXYAZZQVHTPL-UHFFFAOYSA-N 1 0 239.296 1.326 20 10 BDCDRO CO[C@](C)(CO)C[NH2+]Cc1cc(F)ccc1O ZINC000702532462 712055031 /nfs/dbraw/zinc/05/50/31/712055031.db2.gz QXQMJQBWPIKBLQ-LBPRGKRZSA-N 1 0 243.278 1.018 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CO[C@@H](C)C2)c1O ZINC000402145566 970764077 /nfs/dbraw/zinc/76/40/77/970764077.db2.gz NKGUQNRZVJWDFQ-CMPLNLGQSA-N 1 0 221.300 1.968 20 10 BDCDRO CN1CC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000712554863 712445443 /nfs/dbraw/zinc/44/54/43/712445443.db2.gz DGBMPTOLTCHSKK-NSHDSACASA-N 1 0 224.279 1.325 20 10 BDCDRO CN1CC[C@@H]1C[NH2+]Cc1c(O)cccc1Cl ZINC000712572080 712447463 /nfs/dbraw/zinc/44/74/63/712447463.db2.gz MUWXUXJKBPUJHL-SECBINFHSA-N 1 0 240.734 1.839 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720963226 712883557 /nfs/dbraw/zinc/88/35/57/712883557.db2.gz RTDUKLTTZOBGFX-DKTWLAJQSA-N 1 0 241.718 1.906 20 10 BDCDRO CN(Cc1c(O)cccc1Cl)C1CC([NH3+])C1 ZINC000384866977 710998792 /nfs/dbraw/zinc/99/87/92/710998792.db2.gz OAGHPEIJUOKUFK-UHFFFAOYSA-N 1 0 240.734 1.967 20 10 BDCDRO C[C@H](C[NH3+])N(C)Cc1ccc(N(C)C)cc1 ZINC000382973148 710976012 /nfs/dbraw/zinc/97/60/12/710976012.db2.gz HBDCMDUNTCSMBS-LLVKDONJSA-N 1 0 221.348 1.532 20 10 BDCDRO C[C@@](O)(C[NH2+]Cc1ccccc1O)C1CC1 ZINC000390366977 711113872 /nfs/dbraw/zinc/11/38/72/711113872.db2.gz UMWBUQDXAOESSG-CYBMUJFWSA-N 1 0 221.300 1.643 20 10 BDCDRO C[C@](O)(C[NH2+]Cc1ccccc1O)C1CC1 ZINC000390366979 711114241 /nfs/dbraw/zinc/11/42/41/711114241.db2.gz UMWBUQDXAOESSG-ZDUSSCGKSA-N 1 0 221.300 1.643 20 10 BDCDRO Cc1cccc(C[NH2+]CCC2(CO)CC2)c1O ZINC000395889511 711217123 /nfs/dbraw/zinc/21/71/23/711217123.db2.gz RDDWDBRXURIMBW-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000398536558 711412114 /nfs/dbraw/zinc/41/21/14/711412114.db2.gz ZEPIQKPTOAKXDH-LLVKDONJSA-N 1 0 248.326 1.269 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2ccccc2O)C[NH2+]1 ZINC000398953720 711417312 /nfs/dbraw/zinc/41/73/12/711417312.db2.gz GAIJVANITSRWKI-PWSUYJOCSA-N 1 0 220.316 1.622 20 10 BDCDRO C[C@@H]([NH2+]CCN1CCC1)c1ccccc1O ZINC000381483359 710644981 /nfs/dbraw/zinc/64/49/81/710644981.db2.gz UGKVAOJCNBJPQP-LLVKDONJSA-N 1 0 220.316 1.749 20 10 BDCDRO COc1ccc(C[NH2+]Cc2conc2C)c(O)c1 ZINC000397909153 711396221 /nfs/dbraw/zinc/39/62/21/711396221.db2.gz YEXBMPJYZYMLOC-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](C)O ZINC000386712236 711642707 /nfs/dbraw/zinc/64/27/07/711642707.db2.gz PSBIXMMZGFSQIF-ZYHUDNBSSA-N 1 0 223.316 1.950 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@H](C)O ZINC000386737652 711654124 /nfs/dbraw/zinc/65/41/24/711654124.db2.gz XHQXRQRBRPRZTQ-CMPLNLGQSA-N 1 0 223.316 1.950 20 10 BDCDRO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000280224409 711661265 /nfs/dbraw/zinc/66/12/65/711661265.db2.gz JJOJBSOLKFNQQY-ZYHUDNBSSA-N 1 0 249.310 1.633 20 10 BDCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@H]1CCOC1=O ZINC000700926518 712010488 /nfs/dbraw/zinc/01/04/88/712010488.db2.gz QOKZOCBRTKHTMY-ZDUSSCGKSA-N 1 0 246.310 1.213 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000707674244 712176013 /nfs/dbraw/zinc/17/60/13/712176013.db2.gz ROPONDRHRBJZHK-BETUJISGSA-N 1 0 234.343 1.613 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@H](CO)C2)c1 ZINC000707630590 712176029 /nfs/dbraw/zinc/17/60/29/712176029.db2.gz FKZVXEOYSHLXLO-KLPPZKSPSA-N 1 0 221.300 1.561 20 10 BDCDRO CCc1cccc(C[NH2+]C(C)(C)CO)c1O ZINC000709405090 712220795 /nfs/dbraw/zinc/22/07/95/712220795.db2.gz GBRPWHJKENKJOM-UHFFFAOYSA-N 1 0 223.316 1.815 20 10 BDCDRO CCc1cccc(C[NH2+]CC2(CO)CC2)c1O ZINC000709430413 712221637 /nfs/dbraw/zinc/22/16/37/712221637.db2.gz BGNIFSWLGWSDDO-UHFFFAOYSA-N 1 0 235.327 1.817 20 10 BDCDRO CC[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1O ZINC000378804939 712362342 /nfs/dbraw/zinc/36/23/42/712362342.db2.gz WJKTZJGHHNNSDC-DMDPSCGWSA-N 1 0 221.300 1.956 20 10 BDCDRO CC[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000379212074 712371843 /nfs/dbraw/zinc/37/18/43/712371843.db2.gz FJHDJWYREYHCFS-ZWNOBZJWSA-N 1 0 249.358 1.667 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+][C@H](C)[C@@H]2C)c1 ZINC000379473030 712385518 /nfs/dbraw/zinc/38/55/18/712385518.db2.gz UKARXLNTWNJFGE-NEPJUHHUSA-N 1 0 234.343 1.883 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@H]2CCN2C)c1O ZINC000712580653 712433418 /nfs/dbraw/zinc/43/34/18/712433418.db2.gz NRHUCDKOCNGBBD-CYBMUJFWSA-N 1 0 234.343 1.748 20 10 BDCDRO C[C@@H]([NH2+]CC(=O)NC1CC1)c1ccccc1O ZINC000036782452 712494795 /nfs/dbraw/zinc/49/47/95/712494795.db2.gz RMBBXNQVBVOLGT-SECBINFHSA-N 1 0 234.299 1.321 20 10 BDCDRO Cc1cn[nH]c1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000716439043 712560457 /nfs/dbraw/zinc/56/04/57/712560457.db2.gz FEHFCLAXTRQQNK-UHFFFAOYSA-N 1 0 243.310 1.943 20 10 BDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)N(C)C ZINC000037363096 712575030 /nfs/dbraw/zinc/57/50/30/712575030.db2.gz XYRUUYSMDJWXPI-JTQLQIEISA-N 1 0 248.326 1.188 20 10 BDCDRO C[C@@H]([NH2+]C/C=C/CO)c1ccccc1O ZINC000717533040 712660708 /nfs/dbraw/zinc/66/07/08/712660708.db2.gz MAJPWVZJDWTZEC-ORAHPGNNSA-N 1 0 207.273 1.591 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](CO)C2CCC2)c1O ZINC000717602610 712661956 /nfs/dbraw/zinc/66/19/56/712661956.db2.gz CVTUTQDGXHARGN-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO CCOc1cccc(C[NH2+][C@]23C[C@H]2COC3)c1O ZINC000718047199 712738587 /nfs/dbraw/zinc/73/85/87/712738587.db2.gz GNVWDBREPIKJJE-FZMZJTMJSA-N 1 0 249.310 1.669 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@]23C[C@H]2COC3)c1 ZINC000718052433 712739358 /nfs/dbraw/zinc/73/93/58/712739358.db2.gz SRROCPYQBORGIQ-AAEUAGOBSA-N 1 0 219.284 1.579 20 10 BDCDRO C[C@@H](NCC[NH3+])c1ccc(N(C)C)cc1 ZINC000037712897 712744693 /nfs/dbraw/zinc/74/46/93/712744693.db2.gz BLLWKDDEPSYKPD-SNVBAGLBSA-N 1 0 207.321 1.362 20 10 BDCDRO CN(C)c1ccc(CN(C)C(=O)CCC[NH3+])cc1 ZINC000037801162 712759176 /nfs/dbraw/zinc/75/91/76/712759176.db2.gz UAOWCHVCNIOTJE-UHFFFAOYSA-N 1 0 249.358 1.450 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@H]2C)c1 ZINC000719647571 712820315 /nfs/dbraw/zinc/82/03/15/712820315.db2.gz NMOMOLVPRBWYSG-WCQYABFASA-N 1 0 234.343 1.883 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000720995269 712886379 /nfs/dbraw/zinc/88/63/79/712886379.db2.gz OUHOAIMNBQVMOZ-GSJFWJNXSA-N 1 0 235.327 1.815 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CCSCC2)c1 ZINC001141157069 960894875 /nfs/dbraw/zinc/89/48/75/960894875.db2.gz BJVVUYAYCPJYRX-UHFFFAOYSA-N 1 0 225.313 1.647 20 10 BDCDRO CNc1ccccc1NCCN(C)CC[NH3+] ZINC001170505566 971011634 /nfs/dbraw/zinc/01/16/34/971011634.db2.gz XGNMPZLBOJBLBM-UHFFFAOYSA-N 1 0 222.336 1.031 20 10 BDCDRO Nc1ccc(CO[C@H]2C[NH2+]CCC[C@H]2F)cc1 ZINC001217773424 971397824 /nfs/dbraw/zinc/39/78/24/971397824.db2.gz PGRRPTPJCPDHEF-OLZOCXBDSA-N 1 0 238.306 1.876 20 10 BDCDRO Nc1ccc(O[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC001218449871 971820954 /nfs/dbraw/zinc/82/09/54/971820954.db2.gz WXUVGSYCUROHAG-SNVBAGLBSA-N 1 0 228.242 1.645 20 10 BDCDRO CC1(C)C[C@@H]([NH2+]Cc2cccc(O)c2O)CO1 ZINC000396576543 960377948 /nfs/dbraw/zinc/37/79/48/960377948.db2.gz FUCOJDQSYVHQJQ-SNVBAGLBSA-N 1 0 237.299 1.755 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1 ZINC001140619403 960458899 /nfs/dbraw/zinc/45/88/99/960458899.db2.gz CICVJRWDIIKBBO-BXUZGUMPSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC(C3COC3)C2)c1 ZINC001140617326 960460213 /nfs/dbraw/zinc/46/02/13/960460213.db2.gz MZMHDCORTBXEDN-UHFFFAOYSA-N 1 0 233.311 1.779 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC001140744243 960545693 /nfs/dbraw/zinc/54/56/93/960545693.db2.gz QMLWSKNCYQZRDH-TXEJJXNPSA-N 1 0 249.310 1.484 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC001140745223 960553319 /nfs/dbraw/zinc/55/33/19/960553319.db2.gz AOSMXBWKJMEICP-JTQLQIEISA-N 1 0 237.299 1.220 20 10 BDCDRO Cc1ccc(CN2CC([NH+](C)C)C2)c(O)c1 ZINC001140947821 960745933 /nfs/dbraw/zinc/74/59/33/960745933.db2.gz HBSOYEIJKMXSEM-UHFFFAOYSA-N 1 0 220.316 1.446 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCN(C)[C@H](C)C2)c(O)c1 ZINC001140950798 960752572 /nfs/dbraw/zinc/75/25/72/960752572.db2.gz JGFOSDCMUDSTLF-GFCCVEGCSA-N 1 0 234.343 1.837 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2)c(O)c1 ZINC001140950656 960759188 /nfs/dbraw/zinc/75/91/88/960759188.db2.gz AQTXDBCOLHCLMD-CYBMUJFWSA-N 1 0 234.343 1.837 20 10 BDCDRO C[C@@H]1COCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156221 960889859 /nfs/dbraw/zinc/88/98/59/960889859.db2.gz HONBHOYYACDJEB-JTQLQIEISA-N 1 0 237.299 1.566 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156052 960889908 /nfs/dbraw/zinc/88/99/08/960889908.db2.gz DMTKIHRTKFRCIF-JOYOIKCWSA-N 1 0 237.299 1.301 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CC[C@H]1O ZINC001141156050 960893045 /nfs/dbraw/zinc/89/30/45/960893045.db2.gz DMTKIHRTKFRCIF-BXKDBHETSA-N 1 0 237.299 1.301 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC001141157640 960894664 /nfs/dbraw/zinc/89/46/64/960894664.db2.gz KVFLXQPBPUGLOD-PHIMTYICSA-N 1 0 235.283 1.176 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]3(CCO3)C2)c1 ZINC001141160157 960895170 /nfs/dbraw/zinc/89/51/70/960895170.db2.gz REOLOZWXZGZZLN-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO C[N@H+](Cc1cc(O)ccc1O)[C@H]1CCOC1 ZINC001141159808 960895285 /nfs/dbraw/zinc/89/52/85/960895285.db2.gz KZBLFDJLOSNNJQ-JTQLQIEISA-N 1 0 223.272 1.319 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H](O)C1CC1 ZINC000840947873 961235382 /nfs/dbraw/zinc/23/53/82/961235382.db2.gz ASYLQSQNCRXXFX-OAHLLOKOSA-N 1 0 248.370 1.922 20 10 BDCDRO CC[N@H+](Cc1ccccc1O)[C@@H]1CCN(C)C1 ZINC000710529723 962406259 /nfs/dbraw/zinc/40/62/59/962406259.db2.gz CGHPCSGEWDQLKY-CYBMUJFWSA-N 1 0 234.343 1.918 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NC ZINC000697847688 964566065 /nfs/dbraw/zinc/56/60/65/964566065.db2.gz BJKMAAUEQVJZQA-LBPRGKRZSA-N 1 0 248.326 1.236 20 10 BDCDRO Oc1ccc(F)c(F)c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236296412 966353405 /nfs/dbraw/zinc/35/34/05/966353405.db2.gz QXZWHCCBEFIEMU-OIBJUYFYSA-N 1 0 240.253 1.074 20 10 BDCDRO Cc1ccc(CN2C[C@@H](C)[NH2+][C@H](C)C2)c(O)c1 ZINC001236580432 966460597 /nfs/dbraw/zinc/46/05/97/966460597.db2.gz ZRAOJYKUMQMEJC-VXGBXAGGSA-N 1 0 234.343 1.883 20 10 BDCDRO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203560633 966690153 /nfs/dbraw/zinc/69/01/53/966690153.db2.gz DUXIQCDTPYSOIO-CYBMUJFWSA-N 1 0 248.326 1.445 20 10 BDCDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1Cc1ccccc1O ZINC001203555645 966691369 /nfs/dbraw/zinc/69/13/69/966691369.db2.gz BAJYOUNHMYYOHO-PWSUYJOCSA-N 1 0 221.300 1.737 20 10 BDCDRO COc1ccc(C[N@@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001203634505 966717597 /nfs/dbraw/zinc/71/75/97/966717597.db2.gz JMDXJERAGAWMSB-UHFFFAOYSA-N 1 0 249.310 1.766 20 10 BDCDRO COc1ccc(O)c(CN2CC[N@@H+]3CC[C@H]3C2)c1 ZINC001203683706 966737028 /nfs/dbraw/zinc/73/70/28/966737028.db2.gz AXGHUWPASWRGPL-LBPRGKRZSA-N 1 0 248.326 1.291 20 10 BDCDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(O)c(O)c3)C[C@H]21 ZINC001203880230 966807820 /nfs/dbraw/zinc/80/78/20/966807820.db2.gz MQBRLYRTHXJXAA-NWDGAFQWSA-N 1 0 248.326 1.234 20 10 BDCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)C1CN(C)C1 ZINC001203937603 966823996 /nfs/dbraw/zinc/82/39/96/966823996.db2.gz ZHTLNNJXFAEFJJ-UHFFFAOYSA-N 1 0 247.386 1.889 20 10 BDCDRO Oc1ccc(C[NH+]2CCC3(COC3)CC2)c(O)c1 ZINC001204272857 966953109 /nfs/dbraw/zinc/95/31/09/966953109.db2.gz UDWRPSWJYUIGBY-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276580 966957329 /nfs/dbraw/zinc/95/73/29/966957329.db2.gz NOLNMMFBRQUWCT-NSHDSACASA-N 1 0 223.272 1.319 20 10 BDCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204279226 966957597 /nfs/dbraw/zinc/95/75/97/966957597.db2.gz SZCLOXURQFZWOZ-BXKDBHETSA-N 1 0 237.299 1.443 20 10 BDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204279227 966959956 /nfs/dbraw/zinc/95/99/56/966959956.db2.gz SZCLOXURQFZWOZ-CABZTGNLSA-N 1 0 237.299 1.443 20 10 BDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1ccc(O)cc1O ZINC001204283058 966960351 /nfs/dbraw/zinc/96/03/51/966960351.db2.gz XXCVGWQUFMIOKE-RYUDHWBXSA-N 1 0 248.326 1.376 20 10 BDCDRO CCc1ccc(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001204993375 967279660 /nfs/dbraw/zinc/27/96/60/967279660.db2.gz HDVJNZROSBEDDJ-UHFFFAOYSA-N 1 0 220.316 1.488 20 10 BDCDRO C[C@@H]1CC[C@H](CN)[N@H+](Cc2ccccc2O)C1 ZINC001205807182 967831479 /nfs/dbraw/zinc/83/14/79/967831479.db2.gz YKTFJVSHSIQQKS-DGCLKSJQSA-N 1 0 234.343 1.951 20 10 BDCDRO Oc1cccc2c1C[N@H+](Cc1cnccn1)CC2 ZINC001209786582 969624343 /nfs/dbraw/zinc/62/43/43/969624343.db2.gz CTTYKAHMSHWOSH-UHFFFAOYSA-N 1 0 241.294 1.741 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H](C)CCO)c1O ZINC000691471926 969995882 /nfs/dbraw/zinc/99/58/82/969995882.db2.gz BKURADCYTIZALB-JTQLQIEISA-N 1 0 223.316 1.815 20 10 BDCDRO CCc1cccc(C[NH2+][C@H](C)CC(N)=O)c1O ZINC000691493317 970032336 /nfs/dbraw/zinc/03/23/36/970032336.db2.gz JIBJZJSDJGUQKR-SECBINFHSA-N 1 0 236.315 1.308 20 10 BDCDRO COc1c[nH+]ccc1Nc1cccc(O)c1O ZINC001211260139 970206757 /nfs/dbraw/zinc/20/67/57/970206757.db2.gz IXORDQMHTMBXRV-UHFFFAOYSA-N 1 0 232.239 1.667 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000402034280 970756997 /nfs/dbraw/zinc/75/69/97/970756997.db2.gz CHRMXFAJHIHYHB-PWSUYJOCSA-N 1 0 221.300 1.968 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCCC2)c(O)c1 ZINC001144499546 972847417 /nfs/dbraw/zinc/84/74/17/972847417.db2.gz IEBCZYTUMCUSMG-UHFFFAOYSA-N 1 0 209.245 1.399 20 10 BDCDRO CC[N@H+](CCOC)Cc1c(O)cc(O)cc1O ZINC001144499534 972847993 /nfs/dbraw/zinc/84/79/93/972847993.db2.gz HUKXYOPJNYVQQL-UHFFFAOYSA-N 1 0 241.287 1.272 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H](F)C2)c(O)c1 ZINC001144509202 972857079 /nfs/dbraw/zinc/85/70/79/972857079.db2.gz OVAASZCFSWBFPT-QMMMGPOBSA-N 1 0 241.262 1.737 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2C[C@H]3CC[C@@H]2C3)c(O)c1 ZINC001144514422 972858373 /nfs/dbraw/zinc/85/83/73/972858373.db2.gz CSGMJFXCEURURS-DTWKUNHWSA-N 1 0 235.283 1.788 20 10 BDCDRO C[C@@H]1CC[C@H](N2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871380 973240648 /nfs/dbraw/zinc/24/06/48/973240648.db2.gz YWGLXFMBTHVDJX-YPMHNXCESA-N 1 0 246.354 1.891 20 10 BDCDRO CCN1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001173370483 975357185 /nfs/dbraw/zinc/35/71/85/975357185.db2.gz IFSCUSPVXYHFPX-CYBMUJFWSA-N 1 0 246.354 1.845 20 10 BDCDRO Nc1ccc(C[NH2+][C@@H]2COC[C@@H]2C2CC2)cc1 ZINC001334775068 976639996 /nfs/dbraw/zinc/63/99/96/976639996.db2.gz QCKWKOQFLJDABH-ZIAGYGMSSA-N 1 0 232.327 1.783 20 10 BDCDRO Cc1cc(Nc2c(N)cccc2O)cc[nH+]1 ZINC001174657702 976950954 /nfs/dbraw/zinc/95/09/54/976950954.db2.gz NFTWGZPIYNZLRU-UHFFFAOYSA-N 1 0 215.256 1.843 20 10 BDCDRO Cc1cccc(CN2CC(C)([NH+](C)C)C2)c1O ZINC001231594265 977641807 /nfs/dbraw/zinc/64/18/07/977641807.db2.gz ZZLQBXUMBIFKID-UHFFFAOYSA-N 1 0 234.343 1.837 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1O ZINC001231591083 977642624 /nfs/dbraw/zinc/64/26/24/977642624.db2.gz SBDYANQFKBHWPZ-NEPJUHHUSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1O ZINC001231594052 977643727 /nfs/dbraw/zinc/64/37/27/977643727.db2.gz SBZRROFEGWBXNF-GXTWGEPZSA-N 1 0 246.354 1.837 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1O ZINC001231591087 977644470 /nfs/dbraw/zinc/64/44/70/977644470.db2.gz SBDYANQFKBHWPZ-VXGBXAGGSA-N 1 0 239.290 1.605 20 10 BDCDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)c(O)cc1O ZINC001231635402 977656320 /nfs/dbraw/zinc/65/63/20/977656320.db2.gz YBKSNUDFRUGFDG-VIFPVBQESA-N 1 0 237.299 1.948 20 10 BDCDRO OCC1C[NH+](Cc2ccc3ccccc3c2O)C1 ZINC001231882704 977784643 /nfs/dbraw/zinc/78/46/43/977784643.db2.gz RYMCJWLRFUYXKB-UHFFFAOYSA-N 1 0 243.306 1.970 20 10 BDCDRO COC(=O)C[C@@H]1CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001337838225 978521247 /nfs/dbraw/zinc/52/12/47/978521247.db2.gz KUVDGSGKNIKBCB-ZDUSSCGKSA-N 1 0 248.326 1.796 20 10 BDCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc(O)c(O)cc3O)C[C@@H]21 ZINC001233485919 978610127 /nfs/dbraw/zinc/61/01/27/978610127.db2.gz QFRGVSXAYDKZQQ-AOOOYVTPSA-N 1 0 249.310 1.891 20 10 BDCDRO C[N@H+](Cc1cc(O)c(O)cc1O)C1CC1 ZINC001233483098 978613166 /nfs/dbraw/zinc/61/31/66/978613166.db2.gz NPQWHJITECDFLN-UHFFFAOYSA-N 1 0 209.245 1.398 20 10 BDCDRO C[C@H](C(=O)NCc1ccccc1O)[NH+]1CCCC1 ZINC001180584936 978918125 /nfs/dbraw/zinc/91/81/25/978918125.db2.gz MPGXGQCJBNJIBB-LLVKDONJSA-N 1 0 248.326 1.493 20 10 BDCDRO COc1ccc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235039782 978957579 /nfs/dbraw/zinc/95/75/79/978957579.db2.gz YACASWNOIHRXJH-QWHCGFSZSA-N 1 0 248.326 1.337 20 10 BDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1ccc(O)cc1O)C2 ZINC001235981684 979257212 /nfs/dbraw/zinc/25/72/12/979257212.db2.gz RUSKZACINQFDGD-GWCFXTLKSA-N 1 0 234.299 1.021 20 10 BDCDRO COc1cccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235981711 979259788 /nfs/dbraw/zinc/25/97/88/979259788.db2.gz SACUFKFPBQGXAG-SMDDNHRTSA-N 1 0 248.326 1.324 20 10 BDCDRO CCN(Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001236008909 979299116 /nfs/dbraw/zinc/29/91/16/979299116.db2.gz JSCKMNIDNIMMRO-CQSZACIVSA-N 1 0 233.359 1.843 20 10 BDCDRO CN(Cc1c(O)cccc1F)C[C@@H]1CCC[NH2+]1 ZINC001236118130 979391707 /nfs/dbraw/zinc/39/17/07/979391707.db2.gz ADPQUXCCTKFEPL-JTQLQIEISA-N 1 0 238.306 1.715 20 10 BDCDRO Cn1c(=O)cccc1-c1cccc2c1CC[NH2+]C2 ZINC001236356195 979551635 /nfs/dbraw/zinc/55/16/35/979551635.db2.gz WWCVKARKGVDQML-UHFFFAOYSA-N 1 0 240.306 1.698 20 10 BDCDRO COc1ccc(N2CCN(CC[NH3+])CC2)c(C)c1 ZINC001236369025 979566184 /nfs/dbraw/zinc/56/61/84/979566184.db2.gz XVTZVNGMPSMOOA-UHFFFAOYSA-N 1 0 249.358 1.084 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC001342019512 979623137 /nfs/dbraw/zinc/62/31/37/979623137.db2.gz DUHYBRQGADYSEA-LBPRGKRZSA-N 1 0 233.315 1.012 20 10 BDCDRO CCc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c(O)c1 ZINC001236782305 979734389 /nfs/dbraw/zinc/73/43/89/979734389.db2.gz AINQOFRJFQZMMX-MFKMUULPSA-N 1 0 235.327 1.910 20 10 BDCDRO CO[C@H](C)C1C[NH+](Cc2ccccc2O)C1 ZINC001203560900 979770623 /nfs/dbraw/zinc/77/06/23/979770623.db2.gz KBUJIUCGZBRQTA-SNVBAGLBSA-N 1 0 221.300 1.859 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1cccc(OC)c1O ZINC001236865328 979772225 /nfs/dbraw/zinc/77/22/25/979772225.db2.gz IZFGJLKBKPWTET-NSHDSACASA-N 1 0 238.331 1.570 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1c(O)cccc1F ZINC001236895489 979787539 /nfs/dbraw/zinc/78/75/39/979787539.db2.gz QVLSFHYGABZUGY-QMMMGPOBSA-N 1 0 212.268 1.310 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001237482400 979911584 /nfs/dbraw/zinc/91/15/84/979911584.db2.gz LAMNUMCQUJWRCP-YPMHNXCESA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1cccc(C[NH2+][C@]2(C)CCNC2=O)c1O ZINC001343317440 980063568 /nfs/dbraw/zinc/06/35/68/980063568.db2.gz BJLZPIMARQYUNP-CYBMUJFWSA-N 1 0 234.299 1.069 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)Cc1c[nH]ccc1=O ZINC001237849557 980097859 /nfs/dbraw/zinc/09/78/59/980097859.db2.gz VMVDNNOVWIBWBW-UHFFFAOYSA-N 1 0 244.294 1.713 20 10 BDCDRO COc1ccc(CN2CC[N@@H+]3CC[C@H]3C2)c(O)c1 ZINC001203635323 980353454 /nfs/dbraw/zinc/35/34/54/980353454.db2.gz PPXGFDXSPZOEMT-LBPRGKRZSA-N 1 0 248.326 1.291 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1ccc(N)cc1 ZINC001345159095 980569807 /nfs/dbraw/zinc/56/98/07/980569807.db2.gz BADPSEMCVPEBHB-SNVBAGLBSA-N 1 0 207.321 1.356 20 10 BDCDRO c1cc(N2CCOCC2)ccc1C1=CC[NH2+]CC1 ZINC001240468057 981403388 /nfs/dbraw/zinc/40/33/88/981403388.db2.gz WLNIXFDIOJOLFL-UHFFFAOYSA-N 1 0 244.338 1.900 20 10 BDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)c(O)c1 ZINC001203882732 982587789 /nfs/dbraw/zinc/58/77/89/982587789.db2.gz STLLJPYGTPUIEV-TXEJJXNPSA-N 1 0 248.326 1.376 20 10 BDCDRO CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(N)cc1 ZINC001356082668 983570694 /nfs/dbraw/zinc/57/06/94/983570694.db2.gz BMZLRZLRLAGOQC-CYBMUJFWSA-N 1 0 221.348 1.732 20 10 BDCDRO O=C(NCc1ccccc1O)[C@]12CC[C@H]1C[NH2+]C2 ZINC001357499331 983731673 /nfs/dbraw/zinc/73/16/73/983731673.db2.gz MPFYTGHGIBRREB-FZMZJTMJSA-N 1 0 246.310 1.008 20 10 BDCDRO Oc1ccc([C@@H](O)C[NH2+]C2CCCC2)cc1O ZINC000002019487 984005390 /nfs/dbraw/zinc/00/53/90/984005390.db2.gz JZFABYQAQALWIN-ZDUSSCGKSA-N 1 0 237.299 1.663 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@H](O)C(F)(F)F ZINC000717401338 984194490 /nfs/dbraw/zinc/19/44/90/984194490.db2.gz SXMVNWQZCPLIOR-JTQLQIEISA-N 1 0 249.232 1.795 20 10 BDCDRO CCN(CC)c1ccc(CN(C)CC[NH3+])cc1 ZINC000777398715 984310750 /nfs/dbraw/zinc/31/07/50/984310750.db2.gz OUAKEZVNSRUNLW-UHFFFAOYSA-N 1 0 235.375 1.923 20 10 BDCDRO Oc1c(CNC[C@@H]2CC[NH2+]2)ccc2ccccc21 ZINC001580885483 984618621 /nfs/dbraw/zinc/61/86/21/984618621.db2.gz ABRKXWJDEHOUEK-ZDUSSCGKSA-N 1 0 242.322 1.997 20 10 BDCDRO CN(Cc1cc(F)ccc1O)CC(C)(C)[NH3+] ZINC000691993306 985111032 /nfs/dbraw/zinc/11/10/32/985111032.db2.gz QJBUFQRGCJZUQF-UHFFFAOYSA-N 1 0 226.295 1.700 20 10 BDCDRO CO[C@H](C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC001474677777 987797860 /nfs/dbraw/zinc/79/78/60/987797860.db2.gz WCWWKJBFZZUKMV-SECBINFHSA-N 1 0 207.273 1.743 20 10 BDCDRO COc1ccc2c(c1)CCCN2C[C@@H](C)[NH3+] ZINC001118260676 988162565 /nfs/dbraw/zinc/16/25/65/988162565.db2.gz FBWNITSPIBYHEQ-SNVBAGLBSA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@@H]1CC[C@@H](N(C)Cc2ccccc2O)C[NH2+]1 ZINC001246858805 988589461 /nfs/dbraw/zinc/58/94/61/988589461.db2.gz BWWFLEYWTIASJP-DGCLKSJQSA-N 1 0 234.343 1.965 20 10 BDCDRO CC[N@H+](C)Cc1ccc(CC(=O)OC)cc1O ZINC001249174165 989265728 /nfs/dbraw/zinc/26/57/28/989265728.db2.gz ZMVBXYFYGIPQJF-UHFFFAOYSA-N 1 0 237.299 1.559 20 10 BDCDRO Nc1ccc(CN2CCCCC[C@@H]([NH3+])C2)cc1 ZINC001120269262 989622169 /nfs/dbraw/zinc/62/21/69/989622169.db2.gz PPOPZDWFPUJORX-CQSZACIVSA-N 1 0 233.359 1.972 20 10 BDCDRO NC[C@H]([NH2+]Cc1ccc(N)cc1)C1CC1 ZINC001120371052 989639043 /nfs/dbraw/zinc/63/90/43/989639043.db2.gz NWNOKMXCAQJUMV-LBPRGKRZSA-N 1 0 205.305 1.096 20 10 BDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001120371808 989647797 /nfs/dbraw/zinc/64/77/97/989647797.db2.gz RCSJKRMMKFDDSO-JTQLQIEISA-N 1 0 235.331 1.225 20 10 BDCDRO C[N@H+](Cc1cnc(N)nc1)Cc1ccccc1O ZINC001138167720 990896492 /nfs/dbraw/zinc/89/64/92/990896492.db2.gz FILCLBIVGRAMHY-UHFFFAOYSA-N 1 0 244.298 1.396 20 10 BDCDRO COc1cc(C)c(C[N@H+](C)C[C@@H](C)O)c(O)c1 ZINC001308783785 991130384 /nfs/dbraw/zinc/13/03/84/991130384.db2.gz AGNGFQOEHCLIFN-SNVBAGLBSA-N 1 0 239.315 1.522 20 10 BDCDRO CC[N@@H+](Cc1ccccc1O)C[C@H]1CCC(=O)N1 ZINC001202897647 991151939 /nfs/dbraw/zinc/15/19/39/991151939.db2.gz BBFMPOXKERQKJC-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2cnccn2)c(O)c1 ZINC001308978458 991247340 /nfs/dbraw/zinc/24/73/40/991247340.db2.gz MBPKLJPOKIKKHJ-UHFFFAOYSA-N 1 0 229.283 1.780 20 10 BDCDRO Oc1ccc(F)cc1C[NH+]1CC2(COC2)C1 ZINC001140058218 991512083 /nfs/dbraw/zinc/51/20/83/991512083.db2.gz VIWPZTRWFIVZSH-UHFFFAOYSA-N 1 0 223.247 1.364 20 10 BDCDRO CC(C)c1ccc(O)c(C[NH2+]C2(C(N)=O)CC2)c1 ZINC001560740954 991581724 /nfs/dbraw/zinc/58/17/24/991581724.db2.gz HZUXDKJRRBFLJD-UHFFFAOYSA-N 1 0 248.326 1.623 20 10 BDCDRO CC(C)[C@@H](C[NH2+]Cc1cc(F)ccc1O)ON ZINC001575433237 993044336 /nfs/dbraw/zinc/04/43/36/993044336.db2.gz MJFRTALIISZTKW-GFCCVEGCSA-N 1 0 242.294 1.536 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C2)c1O ZINC000379764459 993276311 /nfs/dbraw/zinc/27/63/11/993276311.db2.gz GVYNBVLQCFNCSC-CYBMUJFWSA-N 1 0 234.343 1.837 20 10 BDCDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285701 995002586 /nfs/dbraw/zinc/00/25/86/995002586.db2.gz MOFDQYJMZQUGHS-HIFRSBDPSA-N 1 0 245.370 1.795 20 10 BDCDRO C[C@@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297575990 398208890 /nfs/dbraw/zinc/20/88/90/398208890.db2.gz GVUVOWXNRPCUOL-ONGXEEELSA-N 1 0 221.300 1.740 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1C ZINC000367598887 178197830 /nfs/dbraw/zinc/19/78/30/178197830.db2.gz AMYXASKRSZSCJV-ZSOGYDGISA-N 1 0 247.338 1.991 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCN2CCCC2)cc1 ZINC000020126715 342970471 /nfs/dbraw/zinc/97/04/71/342970471.db2.gz BYODYHMGHQQMFZ-UHFFFAOYSA-N 1 0 247.386 1.938 20 10 BDCDRO CCOc1cccc(CN2CC[NH2+]CC2)c1O ZINC000038086694 343783306 /nfs/dbraw/zinc/78/33/06/343783306.db2.gz LPUCCBWVQULKFR-UHFFFAOYSA-N 1 0 236.315 1.196 20 10 BDCDRO Cn1cc(CC[N@H+](C)Cc2ccccc2O)cn1 ZINC000077284319 344815179 /nfs/dbraw/zinc/81/51/79/344815179.db2.gz CUMQLTLRFWWDLX-UHFFFAOYSA-N 1 0 245.326 1.800 20 10 BDCDRO CC[C@@H](O)CC[NH2+]Cc1cc(C)ccc1O ZINC000131722807 345305792 /nfs/dbraw/zinc/30/57/92/345305792.db2.gz ZLQWZRKNXMUUNK-GFCCVEGCSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1O ZINC000368052819 179093721 /nfs/dbraw/zinc/09/37/21/179093721.db2.gz ZERPFFYKJDBYGP-XYYAHUGASA-N 1 0 233.311 1.683 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000165163716 179094242 /nfs/dbraw/zinc/09/42/42/179094242.db2.gz ZWWSCTOCUUOECT-LBPRGKRZSA-N 1 0 221.300 1.561 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCCOCC2)c1O ZINC000162814046 350438445 /nfs/dbraw/zinc/43/84/45/350438445.db2.gz PADKMHUERLMYDJ-UHFFFAOYSA-N 1 0 221.300 1.923 20 10 BDCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCc3ccccc32)C1 ZINC000637871338 351733311 /nfs/dbraw/zinc/73/33/11/351733311.db2.gz LYSCEAFAJZSMPZ-GFCCVEGCSA-N 1 0 228.295 1.623 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCOC2)c1 ZINC000070955252 188130535 /nfs/dbraw/zinc/13/05/35/188130535.db2.gz QHRVJIXAJCZALB-LLVKDONJSA-N 1 0 221.300 1.827 20 10 BDCDRO CN(C)c1ccc(C[N@H+](CC(N)=O)C2CC2)cc1 ZINC000298727110 188214996 /nfs/dbraw/zinc/21/49/96/188214996.db2.gz QOWKVXUKFZBRNZ-UHFFFAOYSA-N 1 0 247.342 1.202 20 10 BDCDRO NC(=O)C[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368132270 181242904 /nfs/dbraw/zinc/24/29/04/181242904.db2.gz FHXWATJLWSGQID-JTQLQIEISA-N 1 0 234.299 1.090 20 10 BDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1O ZINC000295842222 364780823 /nfs/dbraw/zinc/78/08/23/364780823.db2.gz DJZFXHSQTYEGAY-NQBHXWOUSA-N 1 0 237.299 1.193 20 10 BDCDRO OC[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000295089038 183126375 /nfs/dbraw/zinc/12/63/75/183126375.db2.gz RJOMDZSPYLBNOP-PWSUYJOCSA-N 1 0 221.300 1.643 20 10 BDCDRO Oc1ccc(C[NH2+]C2CCOCC2)cc1O ZINC000036319225 183270493 /nfs/dbraw/zinc/27/04/93/183270493.db2.gz OBWJXLUBJAXZGN-UHFFFAOYSA-N 1 0 223.272 1.366 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372360484 183274841 /nfs/dbraw/zinc/27/48/41/183274841.db2.gz WXZXLBDSPNJPIS-GFCCVEGCSA-N 1 0 237.274 1.488 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C1CCOCC1 ZINC000226585435 183275194 /nfs/dbraw/zinc/27/51/94/183275194.db2.gz SFDZOACWMGJKIR-UHFFFAOYSA-N 1 0 225.263 1.800 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H](O)C1CC1 ZINC000083599857 183292760 /nfs/dbraw/zinc/29/27/60/183292760.db2.gz IFZQPOGBJMMXQG-GFCCVEGCSA-N 1 0 241.718 1.906 20 10 BDCDRO Oc1ccccc1C[NH+]1CC2(C1)CCOC2 ZINC000294231375 183302002 /nfs/dbraw/zinc/30/20/02/183302002.db2.gz ZKQOBNXHNYFEFJ-UHFFFAOYSA-N 1 0 219.284 1.615 20 10 BDCDRO Oc1ccccc1C[NH2+]CC1CCOCC1 ZINC000082367493 183302463 /nfs/dbraw/zinc/30/24/63/183302463.db2.gz KOUIHYZWRCZTJH-UHFFFAOYSA-N 1 0 221.300 1.908 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000187543069 183302575 /nfs/dbraw/zinc/30/25/75/183302575.db2.gz YUSXZZGWNDBWLN-AWEZNQCLSA-N 1 0 249.310 1.384 20 10 BDCDRO c1cc(C[NH2+][C@@H]2CCCOC2)cc2c1OCC2 ZINC000103962854 183368186 /nfs/dbraw/zinc/36/81/86/183368186.db2.gz VRHFLUHSHDXODY-CYBMUJFWSA-N 1 0 233.311 1.890 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000091545524 384132992 /nfs/dbraw/zinc/13/29/92/384132992.db2.gz AKGMIZGFTKWHHO-PWSUYJOCSA-N 1 0 248.326 1.478 20 10 BDCDRO c1cn(CC[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000041066156 384178827 /nfs/dbraw/zinc/17/88/27/384178827.db2.gz BGHABWHHVWTGSZ-UHFFFAOYSA-N 1 0 243.310 1.608 20 10 BDCDRO CC[N@H+](CCOC)Cc1ccccc1O ZINC000132695250 384200160 /nfs/dbraw/zinc/20/01/60/384200160.db2.gz WKOYOLMWJBFYNN-UHFFFAOYSA-N 1 0 209.289 1.861 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134245912 384342489 /nfs/dbraw/zinc/34/24/89/384342489.db2.gz VFKZRPZJNYHXJG-PWSUYJOCSA-N 1 0 221.300 1.968 20 10 BDCDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000077422659 384408004 /nfs/dbraw/zinc/40/80/04/384408004.db2.gz MUEXDFKYASTNEH-NEPJUHHUSA-N 1 0 236.359 1.859 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CO)c(O)c1 ZINC000035602320 384413117 /nfs/dbraw/zinc/41/31/17/384413117.db2.gz VXJYERNHSDQEKW-UWVGGRQHSA-N 1 0 209.289 1.732 20 10 BDCDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000272919353 384621603 /nfs/dbraw/zinc/62/16/03/384621603.db2.gz XULWYGVCQKNPKI-UWVGGRQHSA-N 1 0 234.299 1.274 20 10 BDCDRO CC[C@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000020195333 384591988 /nfs/dbraw/zinc/59/19/88/384591988.db2.gz MBOKSNBRCAFLER-VHSXEESVSA-N 1 0 239.315 1.822 20 10 BDCDRO C[C@@H](O)CC[NH2+][C@H](C)c1ccccc1O ZINC000082992614 384734471 /nfs/dbraw/zinc/73/44/71/384734471.db2.gz QNIYSYGPAIQBHS-NXEZZACHSA-N 1 0 209.289 1.814 20 10 BDCDRO C[C@@H](C(=O)Nc1ccc(N)cc1)[C@H](C)[NH3+] ZINC000294873982 385285928 /nfs/dbraw/zinc/28/59/28/385285928.db2.gz CQOFXJYUUJXALP-SFYZADRCSA-N 1 0 207.277 1.191 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCF)cc1F ZINC000280828088 385377811 /nfs/dbraw/zinc/37/78/11/385377811.db2.gz WHLNTNUGPRPDSI-UHFFFAOYSA-N 1 0 214.259 1.951 20 10 BDCDRO CCN(CC)c1ccc(CNC(=O)[C@@H](C)[NH3+])cc1 ZINC000178712078 385414450 /nfs/dbraw/zinc/41/44/50/385414450.db2.gz SKIKPTIAJPBJAW-LLVKDONJSA-N 1 0 249.358 1.496 20 10 BDCDRO Nc1ccc(NC(=O)C[C@H]2CCC[NH2+]CC2)cc1 ZINC000364498370 385473509 /nfs/dbraw/zinc/47/35/09/385473509.db2.gz XASFBYMEXIBNSR-NSHDSACASA-N 1 0 247.342 1.987 20 10 BDCDRO C[C@H]([NH2+]C1CC1)C(=O)NCc1ccccc1O ZINC000295220491 385500023 /nfs/dbraw/zinc/50/00/23/385500023.db2.gz QYYNVFBZKYXLHY-VIFPVBQESA-N 1 0 234.299 1.149 20 10 BDCDRO CC[N@H+](CCCO)Cc1cccc(C)c1O ZINC000271868755 385856613 /nfs/dbraw/zinc/85/66/13/385856613.db2.gz RSKSQYQYCUTWLU-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000262804364 385888156 /nfs/dbraw/zinc/88/81/56/385888156.db2.gz PVBNRNAVUQPWHH-WDEREUQCSA-N 1 0 247.342 1.020 20 10 BDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297441337 386256049 /nfs/dbraw/zinc/25/60/49/386256049.db2.gz WEQDVSWZTPHSTD-GVXVVHGQSA-N 1 0 249.310 1.383 20 10 BDCDRO C[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000289470442 386310467 /nfs/dbraw/zinc/31/04/67/386310467.db2.gz PKNGRPWMAQGKCM-JTQLQIEISA-N 1 0 240.322 1.704 20 10 BDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000290816592 386478963 /nfs/dbraw/zinc/47/89/63/386478963.db2.gz GMONDXUOBZMMFA-JQWIXIFHSA-N 1 0 241.262 1.035 20 10 BDCDRO COC[C@H](C[NH2+]Cc1cc(F)ccc1O)OC ZINC000227717470 386507111 /nfs/dbraw/zinc/50/71/11/386507111.db2.gz OGHCDTPEXWNBGQ-NSHDSACASA-N 1 0 243.278 1.282 20 10 BDCDRO COC[C@@H](C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000228808795 386621220 /nfs/dbraw/zinc/62/12/20/386621220.db2.gz ZYXUZJVKMBQSIH-WDEREUQCSA-N 1 0 239.315 1.704 20 10 BDCDRO Cc1cc(C[N@@H+](C)C[C@H](C)O)ccc1N(C)C ZINC000293472035 386657239 /nfs/dbraw/zinc/65/72/39/386657239.db2.gz FAIFZEJACFJQOK-LBPRGKRZSA-N 1 0 236.359 1.874 20 10 BDCDRO CC[C@H](CO)[N@H+](C)Cc1cc(OC)ccc1O ZINC000295072621 386690772 /nfs/dbraw/zinc/69/07/72/386690772.db2.gz HMQQSVVNLLFLGT-LLVKDONJSA-N 1 0 239.315 1.604 20 10 BDCDRO CC[N@H+](Cc1cccc(F)c1[O-])[C@H](C)CO ZINC000292699604 386712339 /nfs/dbraw/zinc/71/23/39/386712339.db2.gz CERBWAKFAMKNKR-SECBINFHSA-N 1 0 227.279 1.734 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1ccccc1O ZINC000293729658 386869415 /nfs/dbraw/zinc/86/94/15/386869415.db2.gz URZOQRPYFPHVGE-LLVKDONJSA-N 1 0 207.273 1.613 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000372353267 387293638 /nfs/dbraw/zinc/29/36/38/387293638.db2.gz DKBWLDZPMAMPDY-ZDUSSCGKSA-N 1 0 233.311 1.657 20 10 BDCDRO CC[C@H](c1ccccc1O)[N@@H+]1CCNC(=O)CC1 ZINC000377545398 387726433 /nfs/dbraw/zinc/72/64/33/387726433.db2.gz XWISUKGCKDRVKQ-GFCCVEGCSA-N 1 0 248.326 1.665 20 10 BDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCO)c(O)c1 ZINC000293916139 388392800 /nfs/dbraw/zinc/39/28/00/388392800.db2.gz XDVKWMQMQOXIMD-SNVBAGLBSA-N 1 0 209.289 1.652 20 10 BDCDRO CC[C@H]([NH2+]CCn1cncn1)c1ccccc1O ZINC000271703513 389024253 /nfs/dbraw/zinc/02/42/53/389024253.db2.gz NBWAGIIITRNUKP-LBPRGKRZSA-N 1 0 246.314 1.725 20 10 BDCDRO Cc1ccc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000179952625 397855039 /nfs/dbraw/zinc/85/50/39/397855039.db2.gz BTBDRZHFCNFPQU-CQSZACIVSA-N 1 0 246.354 1.981 20 10 BDCDRO O=C1OC[C@H]2C[N@H+](Cc3ccccc3O)CCN12 ZINC000361054146 397971381 /nfs/dbraw/zinc/97/13/81/397971381.db2.gz UDLMJAZLARUOAW-LLVKDONJSA-N 1 0 248.282 1.029 20 10 BDCDRO CC1(C[NH2+]Cc2ccccc2O)COC1 ZINC000082694290 168043628 /nfs/dbraw/zinc/04/36/28/168043628.db2.gz FRYNKBKZICXMCW-UHFFFAOYSA-N 1 0 207.273 1.518 20 10 BDCDRO CC1(C[NH2+][C@@H]2CCc3cccc(O)c32)OCCO1 ZINC000296660742 168045374 /nfs/dbraw/zinc/04/53/74/168045374.db2.gz FDQVOYXBEWMOHE-LLVKDONJSA-N 1 0 249.310 1.732 20 10 BDCDRO CCNC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000111236061 170050079 /nfs/dbraw/zinc/05/00/79/170050079.db2.gz PSKAMICMTXNMHK-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO CCOC(=O)CC[N@H+](C)Cc1ccccc1O ZINC000084857715 170205200 /nfs/dbraw/zinc/20/52/00/170205200.db2.gz IQQXESOAOLTAIN-UHFFFAOYSA-N 1 0 237.299 1.777 20 10 BDCDRO CC[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000226619118 171169734 /nfs/dbraw/zinc/16/97/34/171169734.db2.gz PLQSBDDYTAHZHJ-LBPRGKRZSA-N 1 0 227.279 1.782 20 10 BDCDRO CN1CC[C@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000272698310 173161194 /nfs/dbraw/zinc/16/11/94/173161194.db2.gz YGCJJBYKJFOWPC-GXTWGEPZSA-N 1 0 246.354 1.918 20 10 BDCDRO CN1C[C@H]([NH2+][C@H]2CCc3cccc(O)c32)CC1=O ZINC000297509513 173196194 /nfs/dbraw/zinc/19/61/94/173196194.db2.gz CLBFIDQYEITBBP-MNOVXSKESA-N 1 0 246.310 1.200 20 10 BDCDRO C[NH2+]CC(=O)NCc1c(O)ccc2c1CCCC2 ZINC000193131282 173330982 /nfs/dbraw/zinc/33/09/82/173330982.db2.gz GTTXVXLZEVPMAL-UHFFFAOYSA-N 1 0 248.326 1.107 20 10 BDCDRO COCC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000081705329 174384726 /nfs/dbraw/zinc/38/47/26/174384726.db2.gz WBQHAOYEZGOLLC-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1C ZINC000042545918 175110106 /nfs/dbraw/zinc/11/01/06/175110106.db2.gz KLABIGYMNDUEKP-CYBMUJFWSA-N 1 0 234.343 1.797 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C(C)(C)[C@@H](C)O)c1 ZINC000164786862 175157078 /nfs/dbraw/zinc/15/70/78/175157078.db2.gz OIIXVYCBIAWZGX-SECBINFHSA-N 1 0 239.315 1.650 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@H](C)OC)c1 ZINC000191696029 175159556 /nfs/dbraw/zinc/15/95/56/175159556.db2.gz PXTOBBFHUTZBGK-UWVGGRQHSA-N 1 0 239.315 1.914 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCN(C)C)c1 ZINC000022141538 175160020 /nfs/dbraw/zinc/16/00/20/175160020.db2.gz OKQWPOYVZWLUOK-JTQLQIEISA-N 1 0 238.331 1.613 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CO)c1 ZINC000035602997 175160095 /nfs/dbraw/zinc/16/00/95/175160095.db2.gz DUYOAJLSKAHSLA-BDAKNGLRSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1cccc(C[NH2+]CCC[C@@H](C)O)c1O ZINC000227954023 175264083 /nfs/dbraw/zinc/26/40/83/175264083.db2.gz WLJGMXCAVOHHEB-SNVBAGLBSA-N 1 0 239.315 1.651 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H](C)OC)c1O ZINC000191201245 175264199 /nfs/dbraw/zinc/26/41/99/175264199.db2.gz AHTLKBZOCFERLP-VIFPVBQESA-N 1 0 225.288 1.525 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1CO ZINC000191728441 176304025 /nfs/dbraw/zinc/30/40/25/176304025.db2.gz SVSORNKUYIPHKQ-OCCSQVGLSA-N 1 0 248.370 1.813 20 10 BDCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000134735154 177015554 /nfs/dbraw/zinc/01/55/54/177015554.db2.gz AKKCRFDCTQIEJJ-QWRGUYRKSA-N 1 0 221.300 1.595 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CO[C@H](C)C2)c1O ZINC000402145569 970763450 /nfs/dbraw/zinc/76/34/50/970763450.db2.gz NKGUQNRZVJWDFQ-PWSUYJOCSA-N 1 0 221.300 1.968 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1cccc(F)c1O ZINC000853248811 588728769 /nfs/dbraw/zinc/72/87/69/588728769.db2.gz KJLGMMHKAVTBTG-MRVPVSSYSA-N 1 0 212.268 1.229 20 10 BDCDRO C[C@@H](NCC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000854226687 588780688 /nfs/dbraw/zinc/78/06/88/588780688.db2.gz JWKPXEGQQAGDSS-CDWSIMAYSA-N 1 0 232.327 1.795 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC000892145398 582800848 /nfs/dbraw/zinc/80/08/48/582800848.db2.gz YXBZDUWSYAMYDW-IUCAKERBSA-N 1 0 249.314 1.153 20 10 BDCDRO COc1ccc(C[NH2+]C(C)C)c(O)c1OC ZINC000892501083 582898873 /nfs/dbraw/zinc/89/88/73/582898873.db2.gz FGDCZSBHRXDZEK-UHFFFAOYSA-N 1 0 225.288 1.907 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000783739752 582961650 /nfs/dbraw/zinc/96/16/50/582961650.db2.gz HTIFDQVGURGVGC-RISCZKNCSA-N 1 0 249.310 1.215 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)C2)c(Cl)c1 ZINC000840952190 583178827 /nfs/dbraw/zinc/17/88/27/583178827.db2.gz VOUVYSOOZJOUCD-DTORHVGOSA-N 1 0 241.718 1.967 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCCn2nncc2C1 ZINC000895757546 583721368 /nfs/dbraw/zinc/72/13/68/583721368.db2.gz XJOBRIILCDQHFR-UHFFFAOYSA-N 1 0 244.298 1.390 20 10 BDCDRO CC(=O)OC[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000895852228 583736834 /nfs/dbraw/zinc/73/68/34/583736834.db2.gz RUAOOHHROVOEAM-ZJUUUORDSA-N 1 0 237.299 1.994 20 10 BDCDRO CN(C)c1cc(F)c(C[NH2+]CCO)cc1F ZINC000858088647 588931136 /nfs/dbraw/zinc/93/11/36/588931136.db2.gz MYMHQCRLNFHJIN-UHFFFAOYSA-N 1 0 230.258 1.113 20 10 BDCDRO COCC1C[NH+](Cc2c(O)cccc2OC)C1 ZINC000895971961 583757065 /nfs/dbraw/zinc/75/70/65/583757065.db2.gz ZANGIXCWWKXFPX-UHFFFAOYSA-N 1 0 237.299 1.479 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2CCN2C)c(O)c1 ZINC000896594793 583816572 /nfs/dbraw/zinc/81/65/72/583816572.db2.gz DAOGVPZQDGZFEE-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1CCN1C ZINC000896595347 583817011 /nfs/dbraw/zinc/81/70/11/583817011.db2.gz JJBFSURYXJNODM-OAHLLOKOSA-N 1 0 247.386 1.855 20 10 BDCDRO CC[N@H+](CCC(N)=O)Cc1ccc(C)cc1O ZINC000896707560 583823460 /nfs/dbraw/zinc/82/34/60/583823460.db2.gz UZFMHUMVCLHUOV-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000897684875 584040380 /nfs/dbraw/zinc/04/03/80/584040380.db2.gz YHTRMTLNWXJSSK-PELKAZGASA-N 1 0 241.718 1.858 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897851091 584054703 /nfs/dbraw/zinc/05/47/03/584054703.db2.gz OVRYEXGNFWXIRE-IMXVTNBVSA-N 1 0 249.310 1.404 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC[C@@H](O)C2CC2)c1 ZINC000898203490 584090529 /nfs/dbraw/zinc/09/05/29/584090529.db2.gz VVEQWTVZBSUZNT-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO C[NH2+]CCC[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841042009 584119543 /nfs/dbraw/zinc/11/95/43/584119543.db2.gz KRVTWBKNVQAQRR-UHFFFAOYSA-N 1 0 246.713 1.884 20 10 BDCDRO Cc1cc(O)c(CN[C@@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841045067 584122437 /nfs/dbraw/zinc/12/24/37/584122437.db2.gz NBFDBFHDSDZRFB-SECBINFHSA-N 1 0 240.734 1.806 20 10 BDCDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccccc1O ZINC000841059059 584125691 /nfs/dbraw/zinc/12/56/91/584125691.db2.gz LHRFRMQUBYLLIB-CMPLNLGQSA-N 1 0 220.316 1.480 20 10 BDCDRO [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000841058262 584125784 /nfs/dbraw/zinc/12/57/84/584125784.db2.gz RJWQTQKSDMQWMA-MNOVXSKESA-N 1 0 238.306 1.891 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1O ZINC000858495008 588960738 /nfs/dbraw/zinc/96/07/38/588960738.db2.gz RBUYHCYPMCUARF-CKYFFXLPSA-N 1 0 248.326 1.697 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H]2CO)cc1C ZINC000902629463 584646378 /nfs/dbraw/zinc/64/63/78/584646378.db2.gz DRGJIBYZUYPCJL-GFCCVEGCSA-N 1 0 221.300 1.576 20 10 BDCDRO OC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000902630577 584647167 /nfs/dbraw/zinc/64/71/67/584647167.db2.gz PCFRLYJCHBJPJW-CYBMUJFWSA-N 1 0 233.311 1.448 20 10 BDCDRO OC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCC2 ZINC000902630578 584647186 /nfs/dbraw/zinc/64/71/86/584647186.db2.gz PCFRLYJCHBJPJW-ZDUSSCGKSA-N 1 0 233.311 1.448 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccccc1O ZINC000903960520 584828377 /nfs/dbraw/zinc/82/83/77/584828377.db2.gz NPHRYUXGRHYUFC-MWLCHTKSSA-N 1 0 206.289 1.090 20 10 BDCDRO C[C@@H]1CCNC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957617 584991721 /nfs/dbraw/zinc/99/17/21/584991721.db2.gz NGHUBLSRBYLLIF-RISCZKNCSA-N 1 0 233.359 1.399 20 10 BDCDRO COC1(C)C[NH+](Cc2cccc(C)c2O)C1 ZINC000839101535 585090929 /nfs/dbraw/zinc/09/09/29/585090929.db2.gz MWFXLKAZPLDLNU-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cc(NCc2ccccc2O)nc(N)[nH+]1 ZINC000748308569 585190308 /nfs/dbraw/zinc/19/03/08/585190308.db2.gz SZGFNRGIXKLDTN-UHFFFAOYSA-N 1 0 230.271 1.685 20 10 BDCDRO COC(=O)/C(C)=C/C[N@H+](C)Cc1ccccc1O ZINC000748815556 585196782 /nfs/dbraw/zinc/19/67/82/585196782.db2.gz BDOCVLHGXSKWEU-DHZHZOJOSA-N 1 0 249.310 1.943 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)C1CC(O)C1 ZINC000761222155 585412284 /nfs/dbraw/zinc/41/22/84/585412284.db2.gz IKNUFLCLDABHBS-UHFFFAOYSA-N 1 0 225.263 1.486 20 10 BDCDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1[NH3+] ZINC000300049416 585501230 /nfs/dbraw/zinc/50/12/30/585501230.db2.gz ROEUHOPQVGYQPW-LDYMZIIASA-N 1 0 240.734 1.825 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](CO)CC2CC2)c1O ZINC000776251983 585693940 /nfs/dbraw/zinc/69/39/40/585693940.db2.gz GUMOENMZPYXTFE-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO CCOc1ccc(C[NH2+]C[C@H](C)OC)c(O)c1 ZINC000785560254 585875413 /nfs/dbraw/zinc/87/54/13/585875413.db2.gz QBEGPQFHXFJUIE-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO Oc1ccccc1C[NH2+]Cc1ncccc1O ZINC000793258888 586015378 /nfs/dbraw/zinc/01/53/78/586015378.db2.gz PPMVREZDBFSIFF-UHFFFAOYSA-N 1 0 230.267 1.783 20 10 BDCDRO CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1O ZINC000801733377 586270110 /nfs/dbraw/zinc/27/01/10/586270110.db2.gz DRIXKLDRVRFCPG-GFCCVEGCSA-N 1 0 248.326 1.539 20 10 BDCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808425215 586472305 /nfs/dbraw/zinc/47/23/05/586472305.db2.gz QRBFPLJEVZLJFJ-VHSXEESVSA-N 1 0 240.322 1.751 20 10 BDCDRO C[NH2+]CCC[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817940460 586845460 /nfs/dbraw/zinc/84/54/60/586845460.db2.gz MTAXKBGKAVSHKL-QMMMGPOBSA-N 1 0 244.285 1.931 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)N[C@@H]2CC[NH2+]C2)c1 ZINC000817944778 586845801 /nfs/dbraw/zinc/84/58/01/586845801.db2.gz LRCLZLLCIOMEPU-GHMZBOCLSA-N 1 0 220.316 1.713 20 10 BDCDRO CC[NH2+]CCN[C@@H]1CCc2cccc(O)c21 ZINC000817951315 586848347 /nfs/dbraw/zinc/84/83/47/586848347.db2.gz DFHHVKYRHCWEJQ-LLVKDONJSA-N 1 0 220.316 1.579 20 10 BDCDRO C[C@@H](NC1C[NH2+]C1)c1cc(F)ccc1O ZINC000817955871 586850099 /nfs/dbraw/zinc/85/00/99/586850099.db2.gz JXJUSBWVJHJGQG-SSDOTTSWSA-N 1 0 210.252 1.154 20 10 BDCDRO C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2O)C1 ZINC000821055100 587091188 /nfs/dbraw/zinc/09/11/88/587091188.db2.gz HCIFDYAKWOYTAD-LLVKDONJSA-N 1 0 248.326 1.350 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)CC(C)(C)CO ZINC000824630188 587280267 /nfs/dbraw/zinc/28/02/67/587280267.db2.gz KMZMKOXYXBQKSB-UHFFFAOYSA-N 1 0 241.306 1.982 20 10 BDCDRO COCCC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000826899278 587364871 /nfs/dbraw/zinc/36/48/71/587364871.db2.gz IQCUZZHKOOCWTB-UHFFFAOYSA-N 1 0 239.290 2.000 20 10 BDCDRO C[NH+](C)CCCCNC(=O)C1=CC(=O)CS1 ZINC000827516015 587385760 /nfs/dbraw/zinc/38/57/60/587385760.db2.gz SOMUKEAEOGWKRD-UHFFFAOYSA-N 1 0 242.344 1.525 20 10 BDCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000834598286 587760258 /nfs/dbraw/zinc/76/02/58/587760258.db2.gz AWRKAKSVCZUXQR-QWHCGFSZSA-N 1 0 247.342 1.197 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@H](C)O)c(Cl)c1 ZINC000840871624 587926780 /nfs/dbraw/zinc/92/67/80/587926780.db2.gz DOSZUQGEKSJNFE-QMMMGPOBSA-N 1 0 229.707 1.824 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](C)O ZINC000840928562 587930244 /nfs/dbraw/zinc/93/02/44/587930244.db2.gz YSKLMEFJJHDYAH-NSHDSACASA-N 1 0 222.332 1.531 20 10 BDCDRO Oc1ccc(F)cc1CN1CCO[C@H](CF)C1 ZINC000840955750 587931960 /nfs/dbraw/zinc/93/19/60/587931960.db2.gz YOVQOIQLSBYYLX-LLVKDONJSA-N 1 0 243.253 1.702 20 10 BDCDRO Cc1cc(O)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1C ZINC000841026836 587936398 /nfs/dbraw/zinc/93/63/98/587936398.db2.gz RTKVWAZXPBZZNX-OCCSQVGLSA-N 1 0 246.354 1.803 20 10 BDCDRO NC[C@@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000841028765 587936791 /nfs/dbraw/zinc/93/67/91/587936791.db2.gz REWWOTUJCLFAAY-LLVKDONJSA-N 1 0 206.289 1.219 20 10 BDCDRO C[NH2+]CCNCc1c(O)cccc1Cl ZINC000841036092 587937748 /nfs/dbraw/zinc/93/77/48/587937748.db2.gz OKOVFDYVXNJIFG-UHFFFAOYSA-N 1 0 214.696 1.355 20 10 BDCDRO Nc1ccc(CC[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000841038774 587937773 /nfs/dbraw/zinc/93/77/73/587937773.db2.gz QCEWSSIJIFFJJW-CYBMUJFWSA-N 1 0 234.343 1.828 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@@H]1CCC[NH2+]C1 ZINC000841043871 587939202 /nfs/dbraw/zinc/93/92/02/587939202.db2.gz YBUWOJJOZLFIIP-CQSZACIVSA-N 1 0 247.386 1.903 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000841045293 587939239 /nfs/dbraw/zinc/93/92/39/587939239.db2.gz RWMBHNISLYVOCP-LLVKDONJSA-N 1 0 206.289 1.152 20 10 BDCDRO c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc2c1OCC2 ZINC000841057764 587940634 /nfs/dbraw/zinc/94/06/34/587940634.db2.gz NHCPCPPTTLVKSU-AWEZNQCLSA-N 1 0 246.354 1.853 20 10 BDCDRO C[C@@H]1C[NH2+]CCN1Cc1cccc(F)c1O ZINC000843046873 588075138 /nfs/dbraw/zinc/07/51/38/588075138.db2.gz CUMYLOWIZDPXHQ-SECBINFHSA-N 1 0 224.279 1.325 20 10 BDCDRO C[C@H]1CN(Cc2cccc(F)c2O)C[C@H](C)[NH2+]1 ZINC000843048945 588076687 /nfs/dbraw/zinc/07/66/87/588076687.db2.gz BGZBMWVXYXRMAW-UWVGGRQHSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1cccc(CN(C)[C@H]2CC[NH2+]C2)c1O ZINC000843049927 588077303 /nfs/dbraw/zinc/07/73/03/588077303.db2.gz YVNSBGLASAPAQX-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO Oc1ccccc1CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000843055665 588077784 /nfs/dbraw/zinc/07/77/84/588077784.db2.gz MWANMJPRPMBPIP-CYBMUJFWSA-N 1 0 232.327 1.719 20 10 BDCDRO Cc1cccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000843120225 588083571 /nfs/dbraw/zinc/08/35/71/588083571.db2.gz ACOHKJZBCCNFRA-ZYHUDNBSSA-N 1 0 220.316 1.480 20 10 BDCDRO CCn1nncc1C[NH2+][C@@H](C)c1ccccc1O ZINC000845990990 588252946 /nfs/dbraw/zinc/25/29/46/588252946.db2.gz SOKKUBYXECOXNG-JTQLQIEISA-N 1 0 246.314 1.854 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H](C)CCO)c1 ZINC000846110146 588256870 /nfs/dbraw/zinc/25/68/70/588256870.db2.gz HUPXQCVMBYXLTM-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)CCO)c1O ZINC000846112717 588257323 /nfs/dbraw/zinc/25/73/23/588257323.db2.gz WXJIXOCLGKJAJL-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]CCN(C)C)c1O ZINC000846174788 588259252 /nfs/dbraw/zinc/25/92/52/588259252.db2.gz YXYYVWRGRHSSDE-SNVBAGLBSA-N 1 0 238.331 1.613 20 10 BDCDRO C[C@H]1C[NH2+]CCN1Cc1ccccc1O ZINC000107093371 588328741 /nfs/dbraw/zinc/32/87/41/588328741.db2.gz PTIIEYIJBSMKBU-JTQLQIEISA-N 1 0 206.289 1.186 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000848393238 588376397 /nfs/dbraw/zinc/37/63/97/588376397.db2.gz WADVVWJOSWXJOS-OCCSQVGLSA-N 1 0 245.326 1.597 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000848916963 588420841 /nfs/dbraw/zinc/42/08/41/588420841.db2.gz CCEVALFMWWONAE-XBXGTLAGSA-N 1 0 235.327 1.958 20 10 BDCDRO [NH2+]=C(NCc1ccccc1O)NC1CCC1 ZINC000848984832 588425268 /nfs/dbraw/zinc/42/52/68/588425268.db2.gz IIKJQNYKSOCNGX-UHFFFAOYSA-N 1 0 219.288 1.559 20 10 BDCDRO CNC(=[NH2+])NCCCSc1nccs1 ZINC000849008907 588434148 /nfs/dbraw/zinc/43/41/48/588434148.db2.gz XGWQYUVWZYCZIY-UHFFFAOYSA-N 1 0 230.362 1.369 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC1=[NH+]CCN1C ZINC000849009110 588434306 /nfs/dbraw/zinc/43/43/06/588434306.db2.gz COMHZXGRSJESFC-UHFFFAOYSA-N 1 0 246.358 1.452 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])N(C)C ZINC000849009374 588434369 /nfs/dbraw/zinc/43/43/69/588434369.db2.gz ZPLNBKGBHNIACW-UHFFFAOYSA-N 1 0 234.347 1.647 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCNC2=O)c(O)c1C ZINC000850481857 588551807 /nfs/dbraw/zinc/55/18/07/588551807.db2.gz NROCVAUNVMGIEM-PWSUYJOCSA-N 1 0 248.326 1.548 20 10 BDCDRO COC(=O)C1=CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000862465886 589215854 /nfs/dbraw/zinc/21/58/54/589215854.db2.gz WAGNAUNBVDAOPZ-LBPRGKRZSA-N 1 0 247.294 1.744 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000862528244 589217847 /nfs/dbraw/zinc/21/78/47/589217847.db2.gz RGKFRYFPBHAAOK-JNSHFYNHSA-N 1 0 248.370 1.922 20 10 BDCDRO OC[C@]12CCC[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000862529645 589218418 /nfs/dbraw/zinc/21/84/18/589218418.db2.gz XQZDASYSVFULQJ-DZGCQCFKSA-N 1 0 247.338 1.987 20 10 BDCDRO COc1cccc(C[NH2+]C2(CO)CC2)c1O ZINC000120397234 589409507 /nfs/dbraw/zinc/40/95/07/589409507.db2.gz NMYBHPCCWZIFLA-UHFFFAOYSA-N 1 0 223.272 1.015 20 10 BDCDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988698 589707962 /nfs/dbraw/zinc/70/79/62/589707962.db2.gz XHBZIQBCUZBUSZ-GXSJLCMTSA-N 1 0 236.315 1.567 20 10 BDCDRO C[N@@H+]1CC[C@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203354 589744503 /nfs/dbraw/zinc/74/45/03/589744503.db2.gz YLBVDSKHZKZACJ-NSHDSACASA-N 1 0 246.310 1.186 20 10 BDCDRO CC[S@](=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000123703548 589772292 /nfs/dbraw/zinc/77/22/92/589772292.db2.gz HICRLCFOIMHBJN-MRXNPFEDSA-N 1 0 241.356 1.559 20 10 BDCDRO Nc1ccc(NCC23CC(C2)C[NH2+]3)cc1 ZINC000873211135 589990044 /nfs/dbraw/zinc/99/00/44/589990044.db2.gz WHCULSWEILTPBK-UHFFFAOYSA-N 1 0 203.289 1.433 20 10 BDCDRO COCC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000020085589 590072236 /nfs/dbraw/zinc/07/22/36/590072236.db2.gz YARDXGAUZIHGPV-JTQLQIEISA-N 1 0 209.289 1.998 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC2CC2)c1 ZINC000020086321 590073398 /nfs/dbraw/zinc/07/33/98/590073398.db2.gz DBLRYXKRVMYRQK-UHFFFAOYSA-N 1 0 207.273 1.900 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCCN(C)C2)c1O ZINC000124729843 590079805 /nfs/dbraw/zinc/07/98/05/590079805.db2.gz LDXJVRHRIIJWEL-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO CCN(C[C@@H](C)[NH3+])c1ccc(OC)cc1 ZINC000020239632 590090282 /nfs/dbraw/zinc/09/02/82/590090282.db2.gz OUNMXRNTNMYRPX-SNVBAGLBSA-N 1 0 208.305 1.869 20 10 BDCDRO C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000876503673 590203986 /nfs/dbraw/zinc/20/39/86/590203986.db2.gz CDPOFZGLTXXKHA-MIZUNLALSA-N 1 0 245.326 1.619 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c(O)c1 ZINC000876511312 590205726 /nfs/dbraw/zinc/20/57/26/590205726.db2.gz DRDIPKPRSFGEAH-LBPRGKRZSA-N 1 0 248.326 1.398 20 10 BDCDRO CC[N@H+](CC(=O)NC)Cc1ccc(C)cc1O ZINC000876577712 590218043 /nfs/dbraw/zinc/21/80/43/590218043.db2.gz KTGKDXFLFWMZPR-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO CNC(=O)CC[N@H+](C)Cc1c(C)cccc1O ZINC000876683747 590230352 /nfs/dbraw/zinc/23/03/52/590230352.db2.gz FXBNPZBXSRENCK-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876745702 590236662 /nfs/dbraw/zinc/23/66/62/590236662.db2.gz KAHQHSDLIWFDMU-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c(O)c1 ZINC000876754596 590239154 /nfs/dbraw/zinc/23/91/54/590239154.db2.gz UDEYTJKBFASBEZ-GFCCVEGCSA-N 1 0 248.326 1.363 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCNC1=O ZINC000876816400 590246147 /nfs/dbraw/zinc/24/61/47/590246147.db2.gz YIDGTCXQEBCHJU-NSHDSACASA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1ccc(C[NH2+]CC(=O)NC(C)C)c(O)c1 ZINC000876881805 590252722 /nfs/dbraw/zinc/25/27/22/590252722.db2.gz PTIYIEOOTMJXDP-UHFFFAOYSA-N 1 0 236.315 1.315 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000876915671 590256646 /nfs/dbraw/zinc/25/66/46/590256646.db2.gz XKWAVBSTOSJRIX-ZDUSSCGKSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCOC2)c(O)c1 ZINC000876930128 590258210 /nfs/dbraw/zinc/25/82/10/590258210.db2.gz LVUHOSLKDNYDNH-NSHDSACASA-N 1 0 221.300 1.827 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCOC1 ZINC000876929292 590258401 /nfs/dbraw/zinc/25/84/01/590258401.db2.gz HIXRPUXJAAYDNI-LLVKDONJSA-N 1 0 221.300 1.827 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)Cn2cncn2)c(O)c1 ZINC000876977024 590264106 /nfs/dbraw/zinc/26/41/06/590264106.db2.gz QZBGCORMUDPOCV-LLVKDONJSA-N 1 0 246.314 1.470 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CCN(C)C2)c(O)c1 ZINC000877019458 590269979 /nfs/dbraw/zinc/26/99/79/590269979.db2.gz MQGXBXRWLOEXRE-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO COC[C@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000877028018 590271439 /nfs/dbraw/zinc/27/14/39/590271439.db2.gz UXQXPCZKDGKHNR-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](C)CCO ZINC000877067471 590276638 /nfs/dbraw/zinc/27/66/38/590276638.db2.gz IEBWARNXZFDFQH-JTQLQIEISA-N 1 0 223.316 1.809 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)CC(N)=O)c(O)c1 ZINC000877095217 590281925 /nfs/dbraw/zinc/28/19/25/590281925.db2.gz PTJQIJIKDYGSPS-SECBINFHSA-N 1 0 222.288 1.054 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)CCCO)c(O)c1 ZINC000877109893 590287008 /nfs/dbraw/zinc/28/70/08/590287008.db2.gz TWGKRTUKRKNLIV-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO COC[C@H](C[NH2+]Cc1ccc(C)cc1O)OC ZINC000877188636 590298923 /nfs/dbraw/zinc/29/89/23/590298923.db2.gz DBRNTNRTBHYXBO-LBPRGKRZSA-N 1 0 239.315 1.452 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1O ZINC000877255859 590304225 /nfs/dbraw/zinc/30/42/25/590304225.db2.gz IQADWPAXNVLLBC-PWSUYJOCSA-N 1 0 248.326 1.712 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000877430386 590325544 /nfs/dbraw/zinc/32/55/44/590325544.db2.gz HHFMRSIEBWHOAI-STQMWFEESA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H]2CO)c(O)c1 ZINC000877464000 590332173 /nfs/dbraw/zinc/33/21/73/590332173.db2.gz IETOMNYOXFVPCQ-DGCLKSJQSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[N@@H+](C)CCN(C)C)c(O)c1 ZINC000877522534 590346350 /nfs/dbraw/zinc/34/63/50/590346350.db2.gz BWGMLYNGZFVMSB-UHFFFAOYSA-N 1 0 222.332 1.694 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877550145 590353961 /nfs/dbraw/zinc/35/39/61/590353961.db2.gz MQZGNNDDODYNTD-GFCCVEGCSA-N 1 0 221.300 1.921 20 10 BDCDRO CCC[N@H+](CC(N)=O)Cc1c(C)cccc1O ZINC000877547894 590354194 /nfs/dbraw/zinc/35/41/94/590354194.db2.gz NTNNVRQOUZNSBN-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877573636 590363251 /nfs/dbraw/zinc/36/32/51/590363251.db2.gz SWNYFNRLBRKRSB-SNVBAGLBSA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1cc(O)c(C[NH+]2CC(C)(O)C2)cc1C ZINC000877581199 590365496 /nfs/dbraw/zinc/36/54/96/590365496.db2.gz QDKFSDARMJBGQG-UHFFFAOYSA-N 1 0 221.300 1.576 20 10 BDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877594987 590369784 /nfs/dbraw/zinc/36/97/84/590369784.db2.gz PADZZHIBWSENRI-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000877640596 590381402 /nfs/dbraw/zinc/38/14/02/590381402.db2.gz AOEFLXAKRLDVDT-MGCOHNPYSA-N 1 0 207.273 1.314 20 10 BDCDRO CCOc1ccc(C[NH2+]C2(C)COC2)c(O)c1 ZINC000877691187 590393234 /nfs/dbraw/zinc/39/32/34/590393234.db2.gz KPCGMLIKBVVTND-UHFFFAOYSA-N 1 0 237.299 1.669 20 10 BDCDRO CC1([NH2+]Cc2cc(F)ccc2O)COC1 ZINC000877691115 590393249 /nfs/dbraw/zinc/39/32/49/590393249.db2.gz IYYCQOBXASILAP-UHFFFAOYSA-N 1 0 211.236 1.410 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000884008841 591796354 /nfs/dbraw/zinc/79/63/54/591796354.db2.gz CZQCYGCFZHEXSK-LLVKDONJSA-N 1 0 233.315 1.453 20 10 BDCDRO C[C@@H]([NH2+]CC(=O)N1CCCC1)c1ccccc1O ZINC000135719972 592033361 /nfs/dbraw/zinc/03/33/61/592033361.db2.gz WCPIKXDCRZCTAF-LLVKDONJSA-N 1 0 248.326 1.665 20 10 BDCDRO COc1ccc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000300050362 592501600 /nfs/dbraw/zinc/50/16/00/592501600.db2.gz ZEHABPDOEIDVAI-BXKDBHETSA-N 1 0 236.315 1.180 20 10 BDCDRO OC[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226612798 635436836 /nfs/dbraw/zinc/43/68/36/635436836.db2.gz AKMUVHKAUISVBJ-CABZTGNLSA-N 1 0 239.290 1.782 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C(C)(C)[NH3+] ZINC000237056363 635610077 /nfs/dbraw/zinc/61/00/77/635610077.db2.gz UUTKIAZMUMEWCL-UHFFFAOYSA-N 1 0 249.358 1.415 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000251169875 635703310 /nfs/dbraw/zinc/70/33/10/635703310.db2.gz PRPHOYXHQQRYFY-NWDGAFQWSA-N 1 0 234.343 1.883 20 10 BDCDRO CC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000162197758 632546678 /nfs/dbraw/zinc/54/66/78/632546678.db2.gz LYTVOLGQKZRPPR-UWVGGRQHSA-N 1 0 209.289 1.814 20 10 BDCDRO COc1ccc(C[NH2+]C2CSC2)c(O)c1 ZINC000309074665 632634991 /nfs/dbraw/zinc/63/49/91/632634991.db2.gz IWXMYHOAKOQHPZ-UHFFFAOYSA-N 1 0 225.313 1.606 20 10 BDCDRO C[C@@H](C[NH3+])NCc1ccc2c(c1)CCCO2 ZINC000162066871 633019564 /nfs/dbraw/zinc/01/95/64/633019564.db2.gz HAMOAQSPXPDZFK-JTQLQIEISA-N 1 0 220.316 1.448 20 10 BDCDRO CC[S@@](=O)CC[NH2+]Cc1cccc(C)c1O ZINC000162639952 633034193 /nfs/dbraw/zinc/03/41/93/633034193.db2.gz SJKFVDCCWMUOSW-INIZCTEOSA-N 1 0 241.356 1.559 20 10 BDCDRO C[C@@]1(C(=O)NCc2ccccc2O)CCC[NH2+]C1 ZINC000166202886 633108746 /nfs/dbraw/zinc/10/87/46/633108746.db2.gz FZNFDBSJFSWLJW-CQSZACIVSA-N 1 0 248.326 1.398 20 10 BDCDRO [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000168403737 633142933 /nfs/dbraw/zinc/14/29/33/633142933.db2.gz XELJMMZJNPWMJB-CMPLNLGQSA-N 1 0 248.326 1.526 20 10 BDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)C1 ZINC000328164663 633740486 /nfs/dbraw/zinc/74/04/86/633740486.db2.gz INPFUQSDPGMWRM-CQSZACIVSA-N 1 0 247.386 1.936 20 10 BDCDRO CC(C)[C@H](CO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000259007381 635234557 /nfs/dbraw/zinc/23/45/57/635234557.db2.gz OHSALQUDCMTRSX-AWEZNQCLSA-N 1 0 249.354 1.976 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CNOC2)c(O)c1 ZINC000925870312 635582527 /nfs/dbraw/zinc/58/25/27/635582527.db2.gz VXHUSCCRAOVAFK-ZJUUUORDSA-N 1 0 222.288 1.255 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](CO)CCF)c(O)c1 ZINC000877614967 635749089 /nfs/dbraw/zinc/74/90/89/635749089.db2.gz PVJUTIOPHMPMFY-NSHDSACASA-N 1 0 227.279 1.511 20 10 BDCDRO C[C@H](C[NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000054340668 636426011 /nfs/dbraw/zinc/42/60/11/636426011.db2.gz POGIIAFBTQUWHZ-LLVKDONJSA-N 1 0 249.358 1.306 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CCNC2=O)c1 ZINC000897873199 636840968 /nfs/dbraw/zinc/84/09/68/636840968.db2.gz YDTWFUMVSXJOFX-CYBMUJFWSA-N 1 0 234.299 1.069 20 10 BDCDRO Oc1ccccc1C[NH2+]CCn1ccnc1 ZINC000041050913 636957567 /nfs/dbraw/zinc/95/75/67/636957567.db2.gz IWNILFHPEHJARA-UHFFFAOYSA-N 1 0 217.272 1.379 20 10 BDCDRO Cc1cccc(C[NH2+]CC[C@H](C)O)c1O ZINC000162864911 637340001 /nfs/dbraw/zinc/34/00/01/637340001.db2.gz TZPPMRGDNYVTQU-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccccc1O ZINC000904462115 637406029 /nfs/dbraw/zinc/40/60/29/637406029.db2.gz HNGYZTATWOEAGS-LBPRGKRZSA-N 1 0 220.316 1.480 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1NCc1ccccc1O ZINC000904462114 637407029 /nfs/dbraw/zinc/40/70/29/637407029.db2.gz HNGYZTATWOEAGS-GFCCVEGCSA-N 1 0 220.316 1.480 20 10 BDCDRO CN(C)c1ccc(CNCC2([NH3+])CC2)cc1F ZINC000904448899 637413544 /nfs/dbraw/zinc/41/35/44/637413544.db2.gz DQDFKBQMYQKUGV-UHFFFAOYSA-N 1 0 237.322 1.473 20 10 BDCDRO C[NH2+]C1(C(=O)NCCc2ccc(N)cc2)CCC1 ZINC000911783731 639800138 /nfs/dbraw/zinc/80/01/38/639800138.db2.gz XZEOXPWEPSPNKM-UHFFFAOYSA-N 1 0 247.342 1.070 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]C1COCCOC1)CC2 ZINC000311140331 640421652 /nfs/dbraw/zinc/42/16/52/640421652.db2.gz GALHMSLMFUFHDS-LBPRGKRZSA-N 1 0 249.310 1.385 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000163988895 640434689 /nfs/dbraw/zinc/43/46/89/640434689.db2.gz SGYYXRHVLZMHHR-VHSXEESVSA-N 1 0 239.315 1.822 20 10 BDCDRO CNC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000044988445 640479875 /nfs/dbraw/zinc/47/98/75/640479875.db2.gz JVXRFAIYGQOQON-SECBINFHSA-N 1 0 222.288 1.179 20 10 BDCDRO Cc1cccc(C[NH2+]CC2(CCO)CC2)c1O ZINC000157529257 640690766 /nfs/dbraw/zinc/69/07/66/640690766.db2.gz RFPMOLIBKATMOF-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC1(O)CCC1 ZINC000226609263 640779078 /nfs/dbraw/zinc/77/90/78/640779078.db2.gz IBJNDUDSOVBKTK-UHFFFAOYSA-N 1 0 225.263 1.536 20 10 BDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000228356556 640872256 /nfs/dbraw/zinc/87/22/56/640872256.db2.gz QNTWTRFGGPOYJR-ZDUSSCGKSA-N 1 0 248.326 1.411 20 10 BDCDRO O=C(C[C@H]1CCC[NH2+]C1)NCc1ccccc1O ZINC000228420379 640873669 /nfs/dbraw/zinc/87/36/69/640873669.db2.gz JNOUOJAFMKFIMF-LLVKDONJSA-N 1 0 248.326 1.398 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000229966357 641000705 /nfs/dbraw/zinc/00/07/05/641000705.db2.gz GZZXFXRHFIXTBU-CYBMUJFWSA-N 1 0 222.332 1.613 20 10 BDCDRO CC[C@@H](C(N)=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000062801599 641091618 /nfs/dbraw/zinc/09/16/18/641091618.db2.gz VBANGFUKLLZXJX-LBPRGKRZSA-N 1 0 247.342 1.162 20 10 BDCDRO COC(OC)[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000158775636 641650276 /nfs/dbraw/zinc/65/02/76/641650276.db2.gz PASUJBYYTDBAAK-SNVBAGLBSA-N 1 0 239.315 1.798 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000190057234 641831598 /nfs/dbraw/zinc/83/15/98/641831598.db2.gz BBXURCOIUWHRRZ-DOMZBBRYSA-N 1 0 248.370 1.955 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC000020146107 643056632 /nfs/dbraw/zinc/05/66/32/643056632.db2.gz XULANGVEKFNLNT-ZDUSSCGKSA-N 1 0 234.343 1.879 20 10 BDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921744106 643770089 /nfs/dbraw/zinc/77/00/89/643770089.db2.gz RMEWQFGVCVPZSL-CQSZACIVSA-N 1 0 247.338 1.872 20 10 BDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921744105 643770528 /nfs/dbraw/zinc/77/05/28/643770528.db2.gz RMEWQFGVCVPZSL-AWEZNQCLSA-N 1 0 247.338 1.872 20 10 BDCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922268067 643936013 /nfs/dbraw/zinc/93/60/13/643936013.db2.gz KPUXPYWQPQTOMB-JOCQHMNTSA-N 1 0 233.311 1.625 20 10 BDCDRO O[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922293590 643957098 /nfs/dbraw/zinc/95/70/98/643957098.db2.gz LEIGUTKBZBNSMH-XBXGTLAGSA-N 1 0 247.338 1.872 20 10 BDCDRO OC[C@H]1C[C@H]([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000923004120 644227303 /nfs/dbraw/zinc/22/73/03/644227303.db2.gz QGHMBCUTNLUQPE-KYZUINATSA-N 1 0 241.718 1.906 20 10 BDCDRO Cc1cc(CN2C[C@H](C)[C@H]([NH3+])C2)ccc1N(C)C ZINC000923366133 644377810 /nfs/dbraw/zinc/37/78/10/644377810.db2.gz JUERLLQJZJKZRZ-GXTWGEPZSA-N 1 0 247.386 1.840 20 10 BDCDRO Cc1cc(CN2C[C@H]([NH3+])[C@@H](C)C2)ccc1N(C)C ZINC000923366134 644378311 /nfs/dbraw/zinc/37/83/11/644378311.db2.gz JUERLLQJZJKZRZ-JSGCOSHPSA-N 1 0 247.386 1.840 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@H]1CO ZINC000249039815 644710069 /nfs/dbraw/zinc/71/00/69/644710069.db2.gz CYVDFJJFHIDGLN-CABZTGNLSA-N 1 0 239.290 1.734 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1cc(F)ccc1O ZINC000094617860 644720452 /nfs/dbraw/zinc/72/04/52/644720452.db2.gz QZUUWIWSDVNAGL-KOLCDFICSA-N 1 0 238.306 1.886 20 10 BDCDRO CC[C@H](O)C[NH2+]CCCSc1nccs1 ZINC000819062477 645003388 /nfs/dbraw/zinc/00/33/88/645003388.db2.gz DJMBZSAUDNNXEH-VIFPVBQESA-N 1 0 246.401 1.986 20 10 BDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877606392 645801316 /nfs/dbraw/zinc/80/13/16/645801316.db2.gz ZQTFFZOGPHGKHF-DGCLKSJQSA-N 1 0 237.299 1.204 20 10 BDCDRO Nc1ccc(CCNC(=O)CCCCC[NH3+])cc1 ZINC000034276389 646550413 /nfs/dbraw/zinc/55/04/13/646550413.db2.gz PLWCPSHUASTSPV-UHFFFAOYSA-N 1 0 249.358 1.447 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCN2C)c1 ZINC000712537312 712442580 /nfs/dbraw/zinc/44/25/80/712442580.db2.gz CTSVVDAIMDPOTD-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907835 712877347 /nfs/dbraw/zinc/87/73/47/712877347.db2.gz RTDUKLTTZOBGFX-JLIMDTESSA-N 1 0 241.718 1.906 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720907083 712876561 /nfs/dbraw/zinc/87/65/61/712876561.db2.gz IZZMTCXTFOXUJU-JGZJWPJOSA-N 1 0 207.273 1.253 20 10 BDCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@@H](C)O ZINC000386831406 711036559 /nfs/dbraw/zinc/03/65/59/711036559.db2.gz HVKRROJYBZMLPB-KOLCDFICSA-N 1 0 239.315 1.650 20 10 BDCDRO CCN1C[C@H]([NH2+][C@@H](C)c2ccccc2O)CC1=O ZINC000391595245 711138259 /nfs/dbraw/zinc/13/82/59/711138259.db2.gz HINVPNHIUZEKSQ-WDEREUQCSA-N 1 0 248.326 1.664 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1CNC(=O)C1)c1ccccc1O ZINC000398363912 711409984 /nfs/dbraw/zinc/40/99/84/711409984.db2.gz YXXMYUUUDVFAQI-UWVGGRQHSA-N 1 0 234.299 1.179 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C(C)(C)O)c1 ZINC000381255784 710613894 /nfs/dbraw/zinc/61/38/94/710613894.db2.gz QSWYQOMRBVYSGA-SNVBAGLBSA-N 1 0 223.316 1.950 20 10 BDCDRO O=C1CC[C@H]([NH2+]Cc2ccccc2O)CCN1 ZINC000396649848 711363301 /nfs/dbraw/zinc/36/33/01/711363301.db2.gz JXCNWVSGSCFTME-NSHDSACASA-N 1 0 234.299 1.151 20 10 BDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCN1C ZINC000090721244 711503436 /nfs/dbraw/zinc/50/34/36/711503436.db2.gz ULPUYZMYDUJNPC-AAEUAGOBSA-N 1 0 234.343 1.965 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CC12CC(O)C2 ZINC000724984928 711640295 /nfs/dbraw/zinc/64/02/95/711640295.db2.gz DZPKBTVLZZCCAW-YDGIUTOCSA-N 1 0 237.274 1.534 20 10 BDCDRO COc1ccc(O)c(CN(C)[C@@H](C)C[NH3+])c1 ZINC000382993413 711905408 /nfs/dbraw/zinc/90/54/08/711905408.db2.gz FNSGCDVBUFZTHI-VIFPVBQESA-N 1 0 224.304 1.180 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]CCOCCF)CC2 ZINC000705649285 712134164 /nfs/dbraw/zinc/13/41/64/712134164.db2.gz HDXGQGXUNJQWHV-NSHDSACASA-N 1 0 239.290 1.955 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2COC[C@@H]2C)c1 ZINC000710878285 712260706 /nfs/dbraw/zinc/26/07/06/712260706.db2.gz XIEARKWQNSFWOL-CABZTGNLSA-N 1 0 237.299 1.525 20 10 BDCDRO C[C@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710894170 712262116 /nfs/dbraw/zinc/26/21/16/712262116.db2.gz UBGSNECJFNWOOJ-GWCFXTLKSA-N 1 0 233.311 1.746 20 10 BDCDRO C[C@H]([NH2+]CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037254253 712560673 /nfs/dbraw/zinc/56/06/73/712560673.db2.gz CFZQIFYCVROCGY-NSHDSACASA-N 1 0 249.358 1.491 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]C/C=C\CO)c(O)c1 ZINC000717531292 712660562 /nfs/dbraw/zinc/66/05/62/712660562.db2.gz DPJUROGCWZQKRK-DLRQAJBASA-N 1 0 221.300 1.900 20 10 BDCDRO OC[C@H](CC(F)F)[NH2+]Cc1cc(F)ccc1O ZINC000717712905 712666784 /nfs/dbraw/zinc/66/67/84/712666784.db2.gz KQNCLTIOOHRVGU-VIFPVBQESA-N 1 0 249.232 1.637 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](CO)CC(F)F)c1O ZINC000717826557 712682146 /nfs/dbraw/zinc/68/21/46/712682146.db2.gz XMMYDGZZJVFEEZ-SNVBAGLBSA-N 1 0 245.269 1.806 20 10 BDCDRO CCN(CC)c1ccc(CNC(N)=[NH2+])cc1 ZINC000195522594 712730559 /nfs/dbraw/zinc/73/05/59/712730559.db2.gz ZLBOWAXEGURINZ-UHFFFAOYSA-N 1 0 220.320 1.516 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2CC(CC(N)=O)C2)c1 ZINC000718474714 712764820 /nfs/dbraw/zinc/76/48/20/712764820.db2.gz DGZHBUIRULTKOA-UHFFFAOYSA-N 1 0 248.326 1.444 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000720947370 712881091 /nfs/dbraw/zinc/88/10/91/712881091.db2.gz NVLJHVVCVVCAMS-HOMQSWHASA-N 1 0 237.299 1.261 20 10 BDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000694391816 959853019 /nfs/dbraw/zinc/85/30/19/959853019.db2.gz DMHUEGIVPYZKFX-YPMHNXCESA-N 1 0 221.300 1.968 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236286305 966337912 /nfs/dbraw/zinc/33/79/12/966337912.db2.gz CLWAMQRUIJRSGK-ZYHUDNBSSA-N 1 0 218.300 1.104 20 10 BDCDRO Nc1ccc(C[NH2+][C@H]2CCCOCC2)cc1 ZINC001336117947 977519385 /nfs/dbraw/zinc/51/93/85/977519385.db2.gz RJWUWPNDIHWMTQ-ZDUSSCGKSA-N 1 0 220.316 1.928 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC001238064743 980132467 /nfs/dbraw/zinc/13/24/67/980132467.db2.gz QGUAJOZTIJWCGU-CYBMUJFWSA-N 1 0 239.290 1.796 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCN2CCCC2=O)c1 ZINC000405398917 971246617 /nfs/dbraw/zinc/24/66/17/971246617.db2.gz KXZWJLUETWUPOK-UHFFFAOYSA-N 1 0 248.326 1.413 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2cc(F)ccc2O)C1 ZINC000405752078 971304435 /nfs/dbraw/zinc/30/44/35/971304435.db2.gz SDWPHJMDULRTSV-LBPRGKRZSA-N 1 0 224.279 1.454 20 10 BDCDRO Nc1ccc(CO[C@H]2C[NH2+]CCC[C@@H]2F)cc1 ZINC001217773426 971396326 /nfs/dbraw/zinc/39/63/26/971396326.db2.gz PGRRPTPJCPDHEF-STQMWFEESA-N 1 0 238.306 1.876 20 10 BDCDRO Nc1ccc(O[C@H]2CC[C@@]23CC[NH2+]C3)cc1 ZINC001218113893 971603273 /nfs/dbraw/zinc/60/32/73/971603273.db2.gz GVIZGKQOISTKNH-STQMWFEESA-N 1 0 218.300 1.790 20 10 BDCDRO C[C@@H]1CC[C@@H](Oc2ccc(N)cc2)C[NH2+]1 ZINC001218396045 971772526 /nfs/dbraw/zinc/77/25/26/971772526.db2.gz ZIPOTNCMKSHPPD-BXKDBHETSA-N 1 0 206.289 1.788 20 10 BDCDRO Nc1ccc(O[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC001218449870 971822500 /nfs/dbraw/zinc/82/25/00/971822500.db2.gz WXUVGSYCUROHAG-JTQLQIEISA-N 1 0 228.242 1.645 20 10 BDCDRO Oc1ccc(F)cc1C[NH+]1CC(C2COC2)C1 ZINC001140058062 957507906 /nfs/dbraw/zinc/50/79/06/957507906.db2.gz RMUDMVYLPRWWLV-UHFFFAOYSA-N 1 0 237.274 1.610 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)C2CCC2)c1 ZINC000316791751 972295377 /nfs/dbraw/zinc/29/53/77/972295377.db2.gz RDCYFKHXZCGUPJ-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@H]1CC[C@@H](C[NH2+]Cc2ccc(N)cc2)O1 ZINC000398106443 958069833 /nfs/dbraw/zinc/06/98/33/958069833.db2.gz KNRPMKOZYSJMND-GWCFXTLKSA-N 1 0 220.316 1.926 20 10 BDCDRO Nc1ccc(CN2CC[C@@]3(C2)CCCC[NH2+]3)cc1 ZINC001222436411 972480329 /nfs/dbraw/zinc/48/03/29/972480329.db2.gz XNTWVGVWSNDJNJ-OAHLLOKOSA-N 1 0 245.370 1.987 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001140617118 960461626 /nfs/dbraw/zinc/46/16/26/960461626.db2.gz FYFDDAILFAUXPE-UHFFFAOYSA-N 1 0 233.311 1.657 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)C2COC2)c1 ZINC001140621303 960467211 /nfs/dbraw/zinc/46/72/11/960467211.db2.gz UXRAQFTUZFLGBT-UHFFFAOYSA-N 1 0 207.273 1.531 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC3(COC3)C2)c1O ZINC001140742739 960543680 /nfs/dbraw/zinc/54/36/80/960543680.db2.gz XIXHKJXJQGYBTI-UHFFFAOYSA-N 1 0 235.283 1.238 20 10 BDCDRO Cc1c(O)ccc(CN2CCC(=O)[C@@H](C)C2)c1O ZINC001140742035 960543965 /nfs/dbraw/zinc/54/39/65/960543965.db2.gz HUFIQMHEWBKZSR-VIFPVBQESA-N 1 0 249.310 1.817 20 10 BDCDRO COCC1C[NH+](Cc2ccc(O)c(C)c2O)C1 ZINC001140742404 960545462 /nfs/dbraw/zinc/54/54/62/960545462.db2.gz MZCANDQZHAQLLL-UHFFFAOYSA-N 1 0 237.299 1.484 20 10 BDCDRO CC[N@H+](CCOC)Cc1ccc(O)c(C)c1O ZINC001140742149 960545717 /nfs/dbraw/zinc/54/57/17/960545717.db2.gz INMRXYVNHXCJCO-UHFFFAOYSA-N 1 0 239.315 1.875 20 10 BDCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCC3)cc2)C1 ZINC001327265231 972523007 /nfs/dbraw/zinc/52/30/07/972523007.db2.gz WIGSNVGSPCPCFF-CTYIDZIISA-N 1 0 246.354 1.900 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001140947743 960748699 /nfs/dbraw/zinc/74/86/99/960748699.db2.gz DBNNZISFPZWESH-DGCLKSJQSA-N 1 0 239.290 1.605 20 10 BDCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1cc(O)ccc1O)C2 ZINC001141159262 960894608 /nfs/dbraw/zinc/89/46/08/960894608.db2.gz BJQCGHNIAJCWSU-FZMZJTMJSA-N 1 0 249.310 1.851 20 10 BDCDRO CC(=O)[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159149 960895709 /nfs/dbraw/zinc/89/57/09/960895709.db2.gz AKWJOKRGTMQLMK-NSHDSACASA-N 1 0 249.310 1.899 20 10 BDCDRO CC(=O)[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141159145 960897805 /nfs/dbraw/zinc/89/78/05/960897805.db2.gz AKWJOKRGTMQLMK-LLVKDONJSA-N 1 0 249.310 1.899 20 10 BDCDRO COC[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000234785180 961640869 /nfs/dbraw/zinc/64/08/69/961640869.db2.gz RMPGGICXDGBJRI-QMMMGPOBSA-N 1 0 245.706 1.143 20 10 BDCDRO Cc1cccc(O)c1CN1CC(C)([NH3+])C1 ZINC001204993812 963392172 /nfs/dbraw/zinc/39/21/72/963392172.db2.gz NKMASVZBLOLCRS-UHFFFAOYSA-N 1 0 206.289 1.234 20 10 BDCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@H]1CCOC1 ZINC001233012070 965454882 /nfs/dbraw/zinc/45/48/82/965454882.db2.gz IQDOVPLPDHLYJQ-VIFPVBQESA-N 1 0 239.271 1.024 20 10 BDCDRO CCOc1ccc(N2CC[C@H]([NH3+])C2)cc1C ZINC001164282089 965826304 /nfs/dbraw/zinc/82/63/04/965826304.db2.gz SOEAPECTIWJQNH-NSHDSACASA-N 1 0 220.316 1.931 20 10 BDCDRO [NH3+][C@@H]1CCN(c2ccc3c(c2)[C@@H](O)CCO3)C1 ZINC001164281813 965826424 /nfs/dbraw/zinc/82/64/24/965826424.db2.gz NRPMREMDDFIJCW-SKDRFNHKSA-N 1 0 234.299 1.040 20 10 BDCDRO COc1ccc(N2CC[C@@H]([NH3+])C2)c2ccncc12 ZINC001164287727 965830986 /nfs/dbraw/zinc/83/09/86/965830986.db2.gz KHKAWWIAGQALAF-SNVBAGLBSA-N 1 0 243.310 1.781 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2COC[C@H]2C)c1O ZINC000699792033 966095145 /nfs/dbraw/zinc/09/51/45/966095145.db2.gz VBQQRQYFFYCYBY-MWLCHTKSSA-N 1 0 237.299 1.525 20 10 BDCDRO CCc1cccc(C[NH2+]Cc2cncn2C)c1O ZINC000691434075 966152853 /nfs/dbraw/zinc/15/28/53/966152853.db2.gz LDMVNPCTNYNRJY-UHFFFAOYSA-N 1 0 245.326 1.978 20 10 BDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cccc(F)c1O)C2 ZINC001235978640 966189375 /nfs/dbraw/zinc/18/93/75/966189375.db2.gz JOKWESSICKZHHX-GWCFXTLKSA-N 1 0 236.290 1.454 20 10 BDCDRO Nc1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986416 966200540 /nfs/dbraw/zinc/20/05/40/966200540.db2.gz DWEULTAJFZETLV-DGCLKSJQSA-N 1 0 217.316 1.192 20 10 BDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(F)ccc1O)C2 ZINC001235994756 966219479 /nfs/dbraw/zinc/21/94/79/966219479.db2.gz QCJUIBPVYRBYJO-ZWNOBZJWSA-N 1 0 236.290 1.454 20 10 BDCDRO Cc1cc(F)cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC001236287245 966341123 /nfs/dbraw/zinc/34/11/23/966341123.db2.gz DLWRVGGKMAUNTN-JQWIXIFHSA-N 1 0 236.290 1.243 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CC[C@H]1O ZINC001203550485 966679523 /nfs/dbraw/zinc/67/95/23/966679523.db2.gz VYJGEAUFQZLHCU-DGCLKSJQSA-N 1 0 235.327 1.985 20 10 BDCDRO CO[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1F ZINC001203550367 966681059 /nfs/dbraw/zinc/68/10/59/966681059.db2.gz TXTSEDIPGPWDRO-JQWIXIFHSA-N 1 0 225.263 1.561 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCN2CC[C@@H]2C1 ZINC001203563313 966691680 /nfs/dbraw/zinc/69/16/80/966691680.db2.gz YTABCKMDFNJJJP-GFCCVEGCSA-N 1 0 218.300 1.282 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@]23CCOC3)c1O ZINC001203601778 966700795 /nfs/dbraw/zinc/70/07/95/966700795.db2.gz KWASPQVBCFPABN-CQSZACIVSA-N 1 0 249.310 1.766 20 10 BDCDRO COc1ccc(C[NH+]2CC3(CN(C)C3)C2)c(O)c1 ZINC001203634999 966716089 /nfs/dbraw/zinc/71/60/89/966716089.db2.gz FQRRXJHCENNNII-UHFFFAOYSA-N 1 0 248.326 1.148 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(OC)cc1O ZINC001203635064 966717376 /nfs/dbraw/zinc/71/73/76/966717376.db2.gz IPDJXWTZPJCONI-NSHDSACASA-N 1 0 237.299 1.622 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CC=CC2)c1 ZINC001203670705 966734501 /nfs/dbraw/zinc/73/45/01/966734501.db2.gz XJTNAGJEGFJMMZ-UHFFFAOYSA-N 1 0 205.257 1.773 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874929 966805013 /nfs/dbraw/zinc/80/50/13/966805013.db2.gz FJZAPMQMKCNMAB-SECBINFHSA-N 1 0 207.273 1.940 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)cc1O ZINC001203878180 966805192 /nfs/dbraw/zinc/80/51/92/966805192.db2.gz QOHDCJAFAJLVHE-RISCZKNCSA-N 1 0 249.310 1.709 20 10 BDCDRO COC[C@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875362 966805728 /nfs/dbraw/zinc/80/57/28/966805728.db2.gz MQQUJIMOQGOZRL-LLVKDONJSA-N 1 0 237.299 1.709 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)C2(C)COC2)cc1 ZINC001203937912 966823861 /nfs/dbraw/zinc/82/38/61/966823861.db2.gz YYKVQPRNQDXFKT-UHFFFAOYSA-N 1 0 234.343 1.973 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)cc1 ZINC001203929431 966825432 /nfs/dbraw/zinc/82/54/32/966825432.db2.gz CMJKZYQKMKXKPZ-OAHLLOKOSA-N 1 0 248.370 1.957 20 10 BDCDRO O=C1NCC[C@@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203549949 966925752 /nfs/dbraw/zinc/92/57/52/966925752.db2.gz DPHSGIMGIRKPFB-AWEZNQCLSA-N 1 0 246.310 1.104 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c(O)c1 ZINC001204277281 966956838 /nfs/dbraw/zinc/95/68/38/966956838.db2.gz XTJIICDBKLOEGN-DLOVCJGASA-N 1 0 237.274 1.888 20 10 BDCDRO Cc1cccc(CN2CC[C@](C)([NH3+])C2)c1O ZINC001204792706 967176077 /nfs/dbraw/zinc/17/60/77/967176077.db2.gz YVXWNTKNEBZPNN-ZDUSSCGKSA-N 1 0 220.316 1.624 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@H](F)C[C@H]([NH3+])C1 ZINC001206445721 968311631 /nfs/dbraw/zinc/31/16/31/968311631.db2.gz QCZMEWKDNRAWGF-MNOVXSKESA-N 1 0 238.306 1.572 20 10 BDCDRO CC1(C[NH3+])CN(Cc2cc(F)c(F)cc2O)C1 ZINC001206722993 968432969 /nfs/dbraw/zinc/43/29/69/968432969.db2.gz KCVGFMCRQMJHDO-UHFFFAOYSA-N 1 0 242.269 1.451 20 10 BDCDRO Cn1ccc(C2=CCC[N@H+](C)C2)cc1=O ZINC001241569002 969061267 /nfs/dbraw/zinc/06/12/67/969061267.db2.gz OXSCRSQTAUXCJK-UHFFFAOYSA-N 1 0 204.273 1.104 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000691480011 970006913 /nfs/dbraw/zinc/00/69/13/970006913.db2.gz AUDQILQDCCFHRK-ZDUSSCGKSA-N 1 0 235.327 1.815 20 10 BDCDRO CN1CCC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001255493616 970255880 /nfs/dbraw/zinc/25/58/80/970255880.db2.gz ZUSDHXNSMUDEFW-ZDUSSCGKSA-N 1 0 246.354 1.845 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2c(O)cc(O)cc2O)C[C@@H]1F ZINC001144499835 972847751 /nfs/dbraw/zinc/84/77/51/972847751.db2.gz LANFKKYLSNFKMZ-XCBNKYQSSA-N 1 0 241.262 1.593 20 10 BDCDRO C[NH+]1CC2(CN(c3ccc4c(c3)OCCO4)C2)C1 ZINC001277013817 974175138 /nfs/dbraw/zinc/17/51/38/974175138.db2.gz IEPISXMRSXHWQR-UHFFFAOYSA-N 1 0 246.310 1.210 20 10 BDCDRO COc1ccc(N2CC3(CC[N@@H+]3C)C2)c(C)c1 ZINC001277018166 974186641 /nfs/dbraw/zinc/18/66/41/974186641.db2.gz FJUNYVDQWNABQP-UHFFFAOYSA-N 1 0 232.327 1.898 20 10 BDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@@H]1CNOC1 ZINC001332880543 975306717 /nfs/dbraw/zinc/30/67/17/975306717.db2.gz WWBASPXVIQSLDM-AXFHLTTASA-N 1 0 248.326 1.742 20 10 BDCDRO Nc1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173883745 975958744 /nfs/dbraw/zinc/95/87/44/975958744.db2.gz ZJKBTMBGPVYSDJ-UHFFFAOYSA-N 1 0 201.229 1.535 20 10 BDCDRO Nc1cccc(O)c1Nc1cc[nH+]cc1 ZINC001173884543 975964687 /nfs/dbraw/zinc/96/46/87/975964687.db2.gz TZWUFIVJMPUKNG-UHFFFAOYSA-N 1 0 201.229 1.535 20 10 BDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334773995 976638397 /nfs/dbraw/zinc/63/83/97/976638397.db2.gz CBHUFAPERVPIBA-AWEZNQCLSA-N 1 0 248.326 1.654 20 10 BDCDRO Nc1ccc(C[NH2+][C@H]2COC[C@H]2C2CC2)cc1 ZINC001334775065 976640938 /nfs/dbraw/zinc/64/09/38/976640938.db2.gz QCKWKOQFLJDABH-KBPBESRZSA-N 1 0 232.327 1.783 20 10 BDCDRO Nc1ccc(CN2CC[NH2+]C[C@H]2C(F)F)cc1 ZINC001335288923 976928750 /nfs/dbraw/zinc/92/87/50/976928750.db2.gz KFAUATFZVBMDDL-NSHDSACASA-N 1 0 241.285 1.308 20 10 BDCDRO C[N@@H+]1CCC=C(N(CCO)c2ccc(N)cc2)C1 ZINC001175577162 977591669 /nfs/dbraw/zinc/59/16/69/977591669.db2.gz YILATOKDXNHXHH-UHFFFAOYSA-N 1 0 247.342 1.287 20 10 BDCDRO COc1cc(C[NH+]2CCCC2)c(O)cc1O ZINC001231633311 977652662 /nfs/dbraw/zinc/65/26/62/977652662.db2.gz UNFMKORGDUITQA-UHFFFAOYSA-N 1 0 223.272 1.702 20 10 BDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)c(O)cc1O ZINC001231635401 977654589 /nfs/dbraw/zinc/65/45/89/977654589.db2.gz YBKSNUDFRUGFDG-SECBINFHSA-N 1 0 237.299 1.948 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H]3C[C@@]32C(N)=O)c(O)c1 ZINC001277569167 977754206 /nfs/dbraw/zinc/75/42/06/977754206.db2.gz WOAYPBINEQDXGM-RISCZKNCSA-N 1 0 246.310 1.150 20 10 BDCDRO CCN(C)c1ccc(C[N@H+](C)C[C@H](C)O)cc1 ZINC000773751617 978594866 /nfs/dbraw/zinc/59/48/66/978594866.db2.gz FWYJZVGZQNOHIQ-LBPRGKRZSA-N 1 0 236.359 1.955 20 10 BDCDRO C[C@H]1CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233483250 978613707 /nfs/dbraw/zinc/61/37/07/978613707.db2.gz SDPYOZYJAONYKK-ZETCQYMHSA-N 1 0 209.245 1.398 20 10 BDCDRO CC1(C)CC(=O)NCC[N@@H+]1Cc1ccccc1O ZINC001338272919 978650229 /nfs/dbraw/zinc/65/02/29/978650229.db2.gz AOWZOPKMCSWAJB-UHFFFAOYSA-N 1 0 248.326 1.493 20 10 BDCDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204272971 978897674 /nfs/dbraw/zinc/89/76/74/978897674.db2.gz VSDIQOPIECVFSG-ZJUUUORDSA-N 1 0 241.262 1.003 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]([NH3+])C[C@H](F)C2)c1 ZINC001206425160 978922917 /nfs/dbraw/zinc/92/29/17/978922917.db2.gz UYGIFYFXSJLBGH-NWDGAFQWSA-N 1 0 238.306 1.572 20 10 BDCDRO Cc1cccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235170439 978987640 /nfs/dbraw/zinc/98/76/40/978987640.db2.gz LBCUIDGHUCRLHP-GXTWGEPZSA-N 1 0 232.327 1.624 20 10 BDCDRO Cc1cccc(O)c1CN1CC[C@H]2C[C@@]2([NH3+])C1 ZINC001235176493 978989565 /nfs/dbraw/zinc/98/95/65/978989565.db2.gz XBFNURDLKXJCKN-SMDDNHRTSA-N 1 0 232.327 1.624 20 10 BDCDRO C[C@@H](O)CCC[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001181276304 979029899 /nfs/dbraw/zinc/02/98/99/979029899.db2.gz LVUKNLRFZYKCEG-MRVPVSSYSA-N 1 0 245.269 1.921 20 10 BDCDRO CN(C(=O)CC1CC([NH3+])C1)c1ccc(N)cc1 ZINC001340849017 979126975 /nfs/dbraw/zinc/12/69/75/979126975.db2.gz UDZNJOKSBLHADV-UHFFFAOYSA-N 1 0 233.315 1.359 20 10 BDCDRO Nc1ccc(CN2CC3(C2)CCCC[NH2+]3)cc1 ZINC001235922316 979209229 /nfs/dbraw/zinc/20/92/29/979209229.db2.gz PJJDQZRCDQMZJN-UHFFFAOYSA-N 1 0 231.343 1.597 20 10 BDCDRO Nc1ccc(CC(=O)N2CC[C@H](CC[NH3+])C2)cc1 ZINC001341123534 979242333 /nfs/dbraw/zinc/24/23/33/979242333.db2.gz PNDATPNLDCCVMU-LBPRGKRZSA-N 1 0 247.342 1.009 20 10 BDCDRO Cc1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988510 979266808 /nfs/dbraw/zinc/26/68/08/979266808.db2.gz GQCJOZMCNVJSAL-GXTWGEPZSA-N 1 0 232.327 1.624 20 10 BDCDRO C[C@@H]([NH3+])CN1CCCc2cc(O)c(O)cc2C1 ZINC001236100626 979389899 /nfs/dbraw/zinc/38/98/99/979389899.db2.gz LHADXFVAUOANIV-SECBINFHSA-N 1 0 236.315 1.193 20 10 BDCDRO Cc1ccc(C)c(CN2CC[C@@H]([NH3+])C2)c1O ZINC001236172130 979429876 /nfs/dbraw/zinc/42/98/76/979429876.db2.gz WYGOXSYXZSMQJG-LLVKDONJSA-N 1 0 220.316 1.542 20 10 BDCDRO [NH3+]C[C@H]1CCCN1Cc1cc(F)c(F)cc1O ZINC001236246947 979468832 /nfs/dbraw/zinc/46/88/32/979468832.db2.gz MQPUSDVCNIIORD-SECBINFHSA-N 1 0 242.269 1.594 20 10 BDCDRO Cc1ccc(C)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC001236288381 979492608 /nfs/dbraw/zinc/49/26/08/979492608.db2.gz NXBNZWZITGXNQR-AAEUAGOBSA-N 1 0 232.327 1.413 20 10 BDCDRO CCCN(Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001236325080 979539251 /nfs/dbraw/zinc/53/92/51/979539251.db2.gz YORSDGPKSFXHCR-CQSZACIVSA-N 1 0 233.359 1.843 20 10 BDCDRO C[C@H]1[C@H]([NH3+])CCCN1Cc1ccc(N)cc1 ZINC001236418397 979589743 /nfs/dbraw/zinc/58/97/43/979589743.db2.gz HIUANSAPKQHXJR-GXFFZTMASA-N 1 0 219.332 1.580 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001341924574 979596654 /nfs/dbraw/zinc/59/66/54/979596654.db2.gz YBDASGQLHPEJGN-CHWSQXEVSA-N 1 0 247.342 1.403 20 10 BDCDRO C[C@@H]1CN(Cc2c(O)cccc2F)C[C@H](C)[NH2+]1 ZINC001236575135 979642604 /nfs/dbraw/zinc/64/26/04/979642604.db2.gz DWEMQPVOVPMZLT-AOOOYVTPSA-N 1 0 238.306 1.714 20 10 BDCDRO CCc1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC001236783274 979729459 /nfs/dbraw/zinc/72/94/59/979729459.db2.gz JNCWKVJUBHNLRP-ZDUSSCGKSA-N 1 0 235.327 1.911 20 10 BDCDRO CCc1ccc(C[N@@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001236787751 979731821 /nfs/dbraw/zinc/73/18/21/979731821.db2.gz KSSOAMWUEIWJOW-CQSZACIVSA-N 1 0 246.354 1.845 20 10 BDCDRO COc1cc(C)c(CN2CCC23COC3)c(O)c1 ZINC001236814120 979749401 /nfs/dbraw/zinc/74/94/01/979749401.db2.gz PBDOJDJODQETMD-UHFFFAOYSA-N 1 0 249.310 1.684 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(OC)cc1O ZINC001236864791 979768138 /nfs/dbraw/zinc/76/81/38/979768138.db2.gz FGIHHNPVDVXTKR-NSHDSACASA-N 1 0 238.331 1.570 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001237482396 979913275 /nfs/dbraw/zinc/91/32/75/979913275.db2.gz LAMNUMCQUJWRCP-WCQYABFASA-N 1 0 239.290 1.605 20 10 BDCDRO COc1cccc(CN2CC[N@@H+]3CC[C@@H]3C2)c1O ZINC001203601977 980149521 /nfs/dbraw/zinc/14/95/21/980149521.db2.gz UOXDEECYYKUSHA-GFCCVEGCSA-N 1 0 248.326 1.291 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@@H]1O ZINC001203875823 982556581 /nfs/dbraw/zinc/55/65/81/982556581.db2.gz WKJBFTLGZWXLLB-ONGXEEELSA-N 1 0 237.299 1.301 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2C(N)=O)c1 ZINC000160359086 982573219 /nfs/dbraw/zinc/57/32/19/982573219.db2.gz JUXSJYXOVZOZJU-NSHDSACASA-N 1 0 234.299 1.150 20 10 BDCDRO CC[C@@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001251803440 982705383 /nfs/dbraw/zinc/70/53/83/982705383.db2.gz YXTUQGKVJIJGJH-SNVBAGLBSA-N 1 0 225.288 1.001 20 10 BDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1cc(O)ccc1O ZINC001275418594 984559156 /nfs/dbraw/zinc/55/91/56/984559156.db2.gz HLXADDLMXJXZAP-STQMWFEESA-N 1 0 248.326 1.376 20 10 BDCDRO CCN1CCC[C@H]1C[NH2+]Cc1ccc(N)cc1 ZINC001577771100 984784265 /nfs/dbraw/zinc/78/42/65/984784265.db2.gz RORPTLMPVVHDQJ-AWEZNQCLSA-N 1 0 233.359 1.843 20 10 BDCDRO CCn1cnc(C[NH2+]Cc2ccc(N)cc2)c1 ZINC001578357378 984998798 /nfs/dbraw/zinc/99/87/98/984998798.db2.gz UKKXXBYEODPLAL-UHFFFAOYSA-N 1 0 230.315 1.775 20 10 BDCDRO CC[C@H]([NH2+]C)C(=O)NCc1ccccc1O ZINC000692021568 985201666 /nfs/dbraw/zinc/20/16/66/985201666.db2.gz NBPSQGSMVDRXKS-JTQLQIEISA-N 1 0 222.288 1.006 20 10 BDCDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(N)cc1 ZINC001579508238 986056969 /nfs/dbraw/zinc/05/69/69/986056969.db2.gz YTIIFTGOXITBEI-CABZTGNLSA-N 1 0 206.289 1.224 20 10 BDCDRO Nc1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1 ZINC001246170947 987532918 /nfs/dbraw/zinc/53/29/18/987532918.db2.gz PDBZWOMMVKDYFB-CYBMUJFWSA-N 1 0 219.332 1.501 20 10 BDCDRO CN(CC[NH3+])Cc1ccc(N2CCCC2)cc1 ZINC001117956155 987968792 /nfs/dbraw/zinc/96/87/92/987968792.db2.gz NVTUNTXTMFPCRZ-UHFFFAOYSA-N 1 0 233.359 1.677 20 10 BDCDRO CCC[NH2+]CCNCc1ccc(N)cc1 ZINC001120371284 989645412 /nfs/dbraw/zinc/64/54/12/989645412.db2.gz UMOUHIYPFAURPO-UHFFFAOYSA-N 1 0 207.321 1.358 20 10 BDCDRO CCN(CC[NH+](C)C)Cc1c(O)cccc1F ZINC001137831625 990854231 /nfs/dbraw/zinc/85/42/31/990854231.db2.gz HXOHZBWOUHJIBP-UHFFFAOYSA-N 1 0 240.322 1.915 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCN3CC[C@@H]3C2)c1O ZINC001140184907 991556620 /nfs/dbraw/zinc/55/66/20/991556620.db2.gz KOCHPVZSXGKMPL-CYBMUJFWSA-N 1 0 246.354 1.899 20 10 BDCDRO C[N@@H+]1CC[C@@H]2C[NH+](Cc3ccccc3O)C[C@@H]2C1 ZINC000386820106 993693664 /nfs/dbraw/zinc/69/36/64/993693664.db2.gz OYSOORPCTCWFNF-OCCSQVGLSA-N 1 0 246.354 1.776 20 10 BDCDRO C[C@H]([NH2+]Cc1ccnn1C)c1ccccc1O ZINC000071333129 398147222 /nfs/dbraw/zinc/14/72/22/398147222.db2.gz CFYNLBOCSUFDAV-JTQLQIEISA-N 1 0 231.299 1.977 20 10 BDCDRO C[C@@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297575976 398208927 /nfs/dbraw/zinc/20/89/27/398208927.db2.gz GVUVOWXNRPCUOL-GXSJLCMTSA-N 1 0 221.300 1.740 20 10 BDCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H](C)CO)cc1C ZINC000289473938 178195698 /nfs/dbraw/zinc/19/56/98/178195698.db2.gz PUNBPTHWLOEYEX-NSHDSACASA-N 1 0 223.316 1.822 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CCO)cc1 ZINC000034076770 342878922 /nfs/dbraw/zinc/87/89/22/342878922.db2.gz PBOYVMOCTSNNAE-UHFFFAOYSA-N 1 0 208.305 1.177 20 10 BDCDRO CN1CCC([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000037363036 343343958 /nfs/dbraw/zinc/34/39/58/343343958.db2.gz MARYOCLELZHXFO-UHFFFAOYSA-N 1 0 246.354 1.805 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C)C2=O)c1O ZINC000271797279 179071422 /nfs/dbraw/zinc/07/14/22/179071422.db2.gz KFONHAUTTFENHS-LBPRGKRZSA-N 1 0 248.326 1.363 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1O ZINC000235915524 179082723 /nfs/dbraw/zinc/08/27/23/179082723.db2.gz TWCNCBVSUOYZBE-AWEZNQCLSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(C[NH2+]CCC(C)(C)O)c1O ZINC000274949492 179090096 /nfs/dbraw/zinc/09/00/96/179090096.db2.gz SAIURTZTSUUEIB-UHFFFAOYSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)C(=O)N(C)C)c1O ZINC000127873721 179096783 /nfs/dbraw/zinc/09/67/83/179096783.db2.gz UZZSSOUEFOARTO-JTQLQIEISA-N 1 0 236.315 1.267 20 10 BDCDRO CC(C)[N@H+](CC(N)=O)Cc1ccccc1O ZINC000132693700 191102959 /nfs/dbraw/zinc/10/29/59/191102959.db2.gz YOBKEXFFGUNUIE-UHFFFAOYSA-N 1 0 222.288 1.088 20 10 BDCDRO Cc1cccc2c1CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000637962790 351838238 /nfs/dbraw/zinc/83/82/38/351838238.db2.gz OZFTYXJMSKFWGG-GFCCVEGCSA-N 1 0 242.322 1.932 20 10 BDCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCNC1=O ZINC000281798983 351909995 /nfs/dbraw/zinc/90/99/95/351909995.db2.gz OSOSABQEXZYAEZ-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO C[C@@H]([NH2+]CCn1cncn1)c1ccccc1O ZINC000271673421 188090116 /nfs/dbraw/zinc/09/01/16/188090116.db2.gz NUOLGEMXXZEFJD-SNVBAGLBSA-N 1 0 232.287 1.335 20 10 BDCDRO C[C@@H]([NH2+]CCn1cccn1)c1ccccc1O ZINC000042538726 188121126 /nfs/dbraw/zinc/12/11/26/188121126.db2.gz FHBIMASKKRAEEM-LLVKDONJSA-N 1 0 231.299 1.940 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000070954899 188130708 /nfs/dbraw/zinc/13/07/08/188130708.db2.gz QOWGNBSCLSWABO-GFCCVEGCSA-N 1 0 221.300 1.969 20 10 BDCDRO CCN(CC)c1ccc(CNC(=O)CC[NH3+])cc1 ZINC000083381516 188142281 /nfs/dbraw/zinc/14/22/81/188142281.db2.gz KEJZUHFHLILVBL-UHFFFAOYSA-N 1 0 249.358 1.498 20 10 BDCDRO CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000294646261 188212464 /nfs/dbraw/zinc/21/24/64/188212464.db2.gz BLTXIAUFVXHBKH-SNVBAGLBSA-N 1 0 221.304 1.581 20 10 BDCDRO NC(=O)C[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179582754 181246278 /nfs/dbraw/zinc/24/62/78/181246278.db2.gz KPPBSRBTRZUHMY-LLVKDONJSA-N 1 0 248.326 1.480 20 10 BDCDRO [NH3+]C1CCN(Cc2cc(Cl)ccc2O)CC1 ZINC000020521450 181344585 /nfs/dbraw/zinc/34/45/85/181344585.db2.gz BLUADVYMBGQCLW-UHFFFAOYSA-N 1 0 240.734 1.969 20 10 BDCDRO OCC1([NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000180907014 183038693 /nfs/dbraw/zinc/03/86/93/183038693.db2.gz AIMWKMSDEYFPKX-UHFFFAOYSA-N 1 0 225.263 1.536 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@H](O)CC1 ZINC000293913890 183274498 /nfs/dbraw/zinc/27/44/98/183274498.db2.gz GDWUSTCFANAFFI-LBPRGKRZSA-N 1 0 239.290 1.878 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCCn1ccnc1 ZINC000083380706 183275387 /nfs/dbraw/zinc/27/53/87/183275387.db2.gz XFQDVVNSLCCJLJ-UHFFFAOYSA-N 1 0 249.289 1.908 20 10 BDCDRO CCC[N@H+](Cc1ccccc1O)[C@@H]1CCNC1=O ZINC000178206688 169179804 /nfs/dbraw/zinc/17/98/04/169179804.db2.gz SGYIFWYZKVLXTB-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO CCC[NH2+]CCNCc1ccc2c(c1)CCO2 ZINC000228718262 169259729 /nfs/dbraw/zinc/25/97/29/169259729.db2.gz DFHPLEGRZDGJAV-UHFFFAOYSA-N 1 0 234.343 1.711 20 10 BDCDRO CC[C@@H]([NH2+]C[C@@H](C)O)c1ccccc1O ZINC000035601760 383863782 /nfs/dbraw/zinc/86/37/82/383863782.db2.gz GLPQHFJETHNBNS-MWLCHTKSSA-N 1 0 209.289 1.814 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]Cc2nncn2C)c(O)c1 ZINC000038007642 384053746 /nfs/dbraw/zinc/05/37/46/384053746.db2.gz GZDRMVLIADARNF-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000070589894 384122425 /nfs/dbraw/zinc/12/24/25/384122425.db2.gz GCLLXKUDJSCVBT-VHSXEESVSA-N 1 0 225.288 1.050 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000083345886 384295271 /nfs/dbraw/zinc/29/52/71/384295271.db2.gz UYJRLGQFXMVXBF-LLVKDONJSA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000134245952 384343489 /nfs/dbraw/zinc/34/34/89/384343489.db2.gz VFKZRPZJNYHXJG-JQWIXIFHSA-N 1 0 221.300 1.968 20 10 BDCDRO CCOc1cccc(C[NH2+][C@@H](C)CCO)c1O ZINC000096811724 384480081 /nfs/dbraw/zinc/48/00/81/384480081.db2.gz FPXQKPIEXSCIQE-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H](CCO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000097439161 384520873 /nfs/dbraw/zinc/52/08/73/384520873.db2.gz NXNBPYJPFIQWCK-LLVKDONJSA-N 1 0 235.327 1.730 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000272919350 384622645 /nfs/dbraw/zinc/62/26/45/384622645.db2.gz XULWYGVCQKNPKI-NXEZZACHSA-N 1 0 234.299 1.274 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000020195363 384593563 /nfs/dbraw/zinc/59/35/63/384593563.db2.gz YGMAKENSWRMOLK-SNVBAGLBSA-N 1 0 229.707 1.906 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)C(C)C)c1 ZINC000123905624 384595571 /nfs/dbraw/zinc/59/55/71/384595571.db2.gz AFVPJOOCPKZNFD-ZDUSSCGKSA-N 1 0 223.316 1.807 20 10 BDCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000083884421 384809184 /nfs/dbraw/zinc/80/91/84/384809184.db2.gz UHRBBODRIIHMSS-LLVKDONJSA-N 1 0 247.342 1.250 20 10 BDCDRO C[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111362 385074125 /nfs/dbraw/zinc/07/41/25/385074125.db2.gz CECSZDLHXUAKEF-HTQZYQBOSA-N 1 0 213.252 1.563 20 10 BDCDRO C[C@H]([NH2+]CCCO)c1cc(F)ccc1O ZINC000087111337 385075720 /nfs/dbraw/zinc/07/57/20/385075720.db2.gz PFBZQRCQDKDGDM-QMMMGPOBSA-N 1 0 213.252 1.564 20 10 BDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000188472271 385187570 /nfs/dbraw/zinc/18/75/70/385187570.db2.gz SYAAXHBLULUTTP-SNVBAGLBSA-N 1 0 236.315 1.349 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000193545439 385400707 /nfs/dbraw/zinc/40/07/07/385400707.db2.gz GZDWSNYHEZAOME-GWCFXTLKSA-N 1 0 247.342 1.068 20 10 BDCDRO COC[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179577480 385476338 /nfs/dbraw/zinc/47/63/38/385476338.db2.gz NAZONRWAQRCMCL-GFCCVEGCSA-N 1 0 237.299 1.239 20 10 BDCDRO C[C@@]1(O)CC[N@H+](Cc2ccccc2O)C1 ZINC000180244825 385515135 /nfs/dbraw/zinc/51/51/35/385515135.db2.gz IBJYIDPEGRFJFU-GFCCVEGCSA-N 1 0 207.273 1.349 20 10 BDCDRO C[C@]1(O)CC[N@H+](Cc2ccccc2O)C1 ZINC000180244807 385516324 /nfs/dbraw/zinc/51/63/24/385516324.db2.gz IBJYIDPEGRFJFU-LBPRGKRZSA-N 1 0 207.273 1.349 20 10 BDCDRO CC[N@H+](CC(=O)NCc1ccccc1O)C1CC1 ZINC000269713319 385629806 /nfs/dbraw/zinc/62/98/06/385629806.db2.gz VKXKKQVMYQLMAB-UHFFFAOYSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(F)ccc1O ZINC000230392604 385734558 /nfs/dbraw/zinc/73/45/58/385734558.db2.gz ZPIWGRUCNZTYCG-ZKANADHPSA-N 1 0 245.319 1.388 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1O ZINC000271408762 385826152 /nfs/dbraw/zinc/82/61/52/385826152.db2.gz WZSGUNHIKIWNIY-SMDDNHRTSA-N 1 0 235.327 1.903 20 10 BDCDRO C[C@@H]([NH2+]CCN(C)C)c1ccccc1O ZINC000021962112 385888878 /nfs/dbraw/zinc/88/88/78/385888878.db2.gz OWDXXRPQJUHHRT-SNVBAGLBSA-N 1 0 208.305 1.604 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000294779897 385895845 /nfs/dbraw/zinc/89/58/45/385895845.db2.gz NSHMIMSSHGMWOI-GXSJLCMTSA-N 1 0 233.315 1.725 20 10 BDCDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccccc2O)C1 ZINC000235747695 386187947 /nfs/dbraw/zinc/18/79/47/386187947.db2.gz KOOVJLXEHONQIN-ZDUSSCGKSA-N 1 0 234.299 1.090 20 10 BDCDRO C[C@H](CO)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000226611410 386344933 /nfs/dbraw/zinc/34/49/33/386344933.db2.gz SEQZRDZYCLQGEL-BDAKNGLRSA-N 1 0 227.279 1.638 20 10 BDCDRO CC(C)[C@H](O)C[NH2+]Cc1cc(F)ccc1O ZINC000226608798 386345773 /nfs/dbraw/zinc/34/57/73/386345773.db2.gz DYADZUVHGNEEOU-GFCCVEGCSA-N 1 0 227.279 1.638 20 10 BDCDRO CC[C@](C)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000226619123 386347954 /nfs/dbraw/zinc/34/79/54/386347954.db2.gz PLQSBDDYTAHZHJ-GFCCVEGCSA-N 1 0 227.279 1.782 20 10 BDCDRO Nc1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000238133937 386446230 /nfs/dbraw/zinc/44/62/30/386446230.db2.gz GEKWMEICIWYRHI-UHFFFAOYSA-N 1 0 247.342 1.987 20 10 BDCDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccccc1O ZINC000227976218 386525219 /nfs/dbraw/zinc/52/52/19/386525219.db2.gz GVMJINDZUHHTOR-ZWNOBZJWSA-N 1 0 237.299 1.022 20 10 BDCDRO Cc1cnn(C)c1C[NH2+]Cc1ccccc1O ZINC000285406286 387264703 /nfs/dbraw/zinc/26/47/03/387264703.db2.gz IQGLOFQSBJGFIU-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO CCn1nncc1C[NH2+]Cc1ccccc1O ZINC000527725160 387676842 /nfs/dbraw/zinc/67/68/42/387676842.db2.gz DTYVJIYLMYQHHR-UHFFFAOYSA-N 1 0 232.287 1.293 20 10 BDCDRO CC[C@H](COC)[NH2+]Cc1cccc(OC)c1O ZINC000079735379 387955984 /nfs/dbraw/zinc/95/59/84/387955984.db2.gz CVQYPTGWSQBTSH-LLVKDONJSA-N 1 0 239.315 1.915 20 10 BDCDRO CC[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1O ZINC000295842218 388414529 /nfs/dbraw/zinc/41/45/29/388414529.db2.gz DJZFXHSQTYEGAY-DMDPSCGWSA-N 1 0 237.299 1.193 20 10 BDCDRO C[C@H](CCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297529345 388429792 /nfs/dbraw/zinc/42/97/92/388429792.db2.gz DLRNSVXYGKQESH-PWSUYJOCSA-N 1 0 235.327 1.988 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000273612484 389042945 /nfs/dbraw/zinc/04/29/45/389042945.db2.gz WLQPPFWFXAPTTN-GHMZBOCLSA-N 1 0 248.326 1.582 20 10 BDCDRO CSC[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000164251366 397792496 /nfs/dbraw/zinc/79/24/96/397792496.db2.gz YFHDZERKQZBVSB-GFCCVEGCSA-N 1 0 241.356 1.596 20 10 BDCDRO C[C@@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000090739539 410009407 /nfs/dbraw/zinc/00/94/07/410009407.db2.gz DGFFMEFEACGOCV-ZETCQYMHSA-N 1 0 215.680 1.516 20 10 BDCDRO CC(C)[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000080789158 167407277 /nfs/dbraw/zinc/40/72/77/167407277.db2.gz VFSMQKHUDQYHBW-CQSZACIVSA-N 1 0 236.359 1.859 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1cccc(OC)c1O ZINC000096478748 171184931 /nfs/dbraw/zinc/18/49/31/171184931.db2.gz DJPNKXXXJXTXBD-CYBMUJFWSA-N 1 0 239.315 1.651 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000083551244 171450931 /nfs/dbraw/zinc/45/09/31/171450931.db2.gz YXIPEHFLIILDIW-MRVPVSSYSA-N 1 0 229.707 1.906 20 10 BDCDRO CN1CC[C@@H]2CC[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000378499296 173133975 /nfs/dbraw/zinc/13/39/75/173133975.db2.gz PPJOURGSIRUZTE-OCCSQVGLSA-N 1 0 246.354 1.918 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1 ZINC000263780930 173186647 /nfs/dbraw/zinc/18/66/47/173186647.db2.gz VNBYKWOCJSYWBI-LBPRGKRZSA-N 1 0 247.342 1.073 20 10 BDCDRO COCCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000134044635 174218496 /nfs/dbraw/zinc/21/84/96/174218496.db2.gz FBWBECVGPOBUFL-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO COCC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052512 174335838 /nfs/dbraw/zinc/33/58/38/174335838.db2.gz OPPOGWLZPKTKTF-UHFFFAOYSA-N 1 0 209.289 1.740 20 10 BDCDRO COCC[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000019881560 174339843 /nfs/dbraw/zinc/33/98/43/174339843.db2.gz BGZSZAZEECOFOQ-SECBINFHSA-N 1 0 225.288 1.698 20 10 BDCDRO COCCOCC[N@H+](C)Cc1ccccc1O ZINC000079433199 174352767 /nfs/dbraw/zinc/35/27/67/174352767.db2.gz BHZNDRYRPGITEH-UHFFFAOYSA-N 1 0 239.315 1.487 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CC3(C2)CCOC3)c1 ZINC000293858982 175157060 /nfs/dbraw/zinc/15/70/60/175157060.db2.gz BXLMKLOEEPBPNW-UHFFFAOYSA-N 1 0 249.310 1.623 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)C[C@H](C)O)c1 ZINC000130695219 175157826 /nfs/dbraw/zinc/15/78/26/175157826.db2.gz NTARVJUBXJIWQJ-VIFPVBQESA-N 1 0 225.288 1.213 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)CCCCO)c1 ZINC000276727845 175158032 /nfs/dbraw/zinc/15/80/32/175158032.db2.gz XLSLGZNNTVPQFL-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CCSCC2)c1 ZINC000179666099 175158103 /nfs/dbraw/zinc/15/81/03/175158103.db2.gz SBOQNTNMVWVRFX-UHFFFAOYSA-N 1 0 239.340 1.950 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)CO)c1 ZINC000164726137 175158617 /nfs/dbraw/zinc/15/86/17/175158617.db2.gz WJEAKVSQMSCISL-NXEZZACHSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC[C@H](C)O)c1 ZINC000085983760 175160928 /nfs/dbraw/zinc/16/09/28/175160928.db2.gz HXWSWCHZYGUJAC-UWVGGRQHSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc(C[N@H+](C)C2CC2)c1O ZINC000153783838 175253509 /nfs/dbraw/zinc/25/35/09/175253509.db2.gz WVXRLUYWEUWAIE-UHFFFAOYSA-N 1 0 207.273 1.995 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000180195007 175260466 /nfs/dbraw/zinc/26/04/66/175260466.db2.gz DFIZANLURKSGNK-CYBMUJFWSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1cccc(C[NH2+][C@]2(C)CCOC2)c1O ZINC000120242702 175267749 /nfs/dbraw/zinc/26/77/49/175267749.db2.gz ROOCMPHTNIZJDR-CYBMUJFWSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2CCO[C@H]2C)c1O ZINC000134247293 175267861 /nfs/dbraw/zinc/26/78/61/175267861.db2.gz AAENLCDLRXBGHD-ONGXEEELSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@@H]([NH2+]CCNC(=O)C1CC1)c1ccccc1O ZINC000167431595 175880261 /nfs/dbraw/zinc/88/02/61/175880261.db2.gz NVBZARJTRSCYCU-SNVBAGLBSA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(N)cc1 ZINC000035782509 177263922 /nfs/dbraw/zinc/26/39/22/177263922.db2.gz VEUCBBYBKGZDDZ-MNOVXSKESA-N 1 0 220.316 1.878 20 10 BDCDRO COc1cc(Cl)cc(C[NH2+]CCCO)c1O ZINC000076274271 490318848 /nfs/dbraw/zinc/31/88/48/490318848.db2.gz GODLLUQOLUSNBY-UHFFFAOYSA-N 1 0 245.706 1.526 20 10 BDCDRO C[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083551128 491126474 /nfs/dbraw/zinc/12/64/74/491126474.db2.gz ONWIJCDMVUKNTL-ZETCQYMHSA-N 1 0 215.680 1.516 20 10 BDCDRO CN1CCCc2cc(C[NH2+][C@@H]3CCOC3)ccc21 ZINC000075186316 536396642 /nfs/dbraw/zinc/39/66/42/536396642.db2.gz WGLGTCASJKQVAR-CQSZACIVSA-N 1 0 246.354 1.948 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)C[S@@](C)=O)c(O)c1 ZINC000877311335 583311843 /nfs/dbraw/zinc/31/18/43/583311843.db2.gz VUJHZZQRXFOGIF-MGPLVRAMSA-N 1 0 241.356 1.557 20 10 BDCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(C)cc1O ZINC000877556242 583328709 /nfs/dbraw/zinc/32/87/09/583328709.db2.gz NGAJAOCJGOMDPC-GFCCVEGCSA-N 1 0 223.316 1.903 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000854233097 588781495 /nfs/dbraw/zinc/78/14/95/588781495.db2.gz XMEXQAOZVZJPAM-WDEREUQCSA-N 1 0 222.332 1.959 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@H]1CCc2cccc(O)c21 ZINC000854232470 588781548 /nfs/dbraw/zinc/78/15/48/588781548.db2.gz QUBXYVCTTFBWAG-KOLCDFICSA-N 1 0 220.316 1.577 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000300044331 582483404 /nfs/dbraw/zinc/48/34/04/582483404.db2.gz BJRIDLNRQGBHAX-LLVKDONJSA-N 1 0 207.273 1.613 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1CO ZINC000857061321 588884638 /nfs/dbraw/zinc/88/46/38/588884638.db2.gz OIGGLOUYIHGJDY-YPMHNXCESA-N 1 0 235.327 1.843 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H](O)C2CCC2)c(O)c1 ZINC000877574833 583335687 /nfs/dbraw/zinc/33/56/87/583335687.db2.gz WWUDUOJTVLHDNG-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CN(C)C[C@@H]32)c1 ZINC000814172968 583342902 /nfs/dbraw/zinc/34/29/02/583342902.db2.gz DSNRVZHRZRPGMR-JSGCOSHPSA-N 1 0 246.354 1.837 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2ocnc2C)c1 ZINC000894259798 583398407 /nfs/dbraw/zinc/39/84/07/583398407.db2.gz JNQJRERBRKCQNO-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)OC)c1O ZINC000894534101 583478521 /nfs/dbraw/zinc/47/85/21/583478521.db2.gz XTZGICAOUUWSAO-JTQLQIEISA-N 1 0 239.315 1.834 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2COCO2)c1O ZINC000894875709 583541408 /nfs/dbraw/zinc/54/14/08/583541408.db2.gz IPFSYRIROSFMLD-LLVKDONJSA-N 1 0 223.272 1.163 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000788269451 583600140 /nfs/dbraw/zinc/60/01/40/583600140.db2.gz NRVMJFHJCGSIIE-MWLCHTKSSA-N 1 0 237.299 1.356 20 10 BDCDRO COc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1OC ZINC000895558958 583691264 /nfs/dbraw/zinc/69/12/64/583691264.db2.gz MOASIBAAAWOHQR-PHIMTYICSA-N 1 0 249.310 1.861 20 10 BDCDRO CC[N@H+](CCC(N)=O)Cc1c(C)cccc1O ZINC000896710273 583825465 /nfs/dbraw/zinc/82/54/65/583825465.db2.gz NCPLLWVSMUFSMP-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO CC(C)[C@H]([NH3+])CNCc1ccc2c(c1)CCO2 ZINC000841028161 584025504 /nfs/dbraw/zinc/02/55/04/584025504.db2.gz BWWRFULMKPIYOZ-CYBMUJFWSA-N 1 0 234.343 1.694 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897684685 584040517 /nfs/dbraw/zinc/04/05/17/584040517.db2.gz VDMZRTZDZTXBSP-SKDRFNHKSA-N 1 0 237.299 1.213 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)c(O)c1 ZINC000897810196 584050399 /nfs/dbraw/zinc/05/03/99/584050399.db2.gz MZJHCEHKGYLJSJ-MIBAYGRRSA-N 1 0 245.322 1.966 20 10 BDCDRO Cc1ccc(C[NH2+][C@@]2(C)CCNC2=O)c(O)c1 ZINC000897866611 584055488 /nfs/dbraw/zinc/05/54/88/584055488.db2.gz DPWDTOPKVLFBKQ-ZDUSSCGKSA-N 1 0 234.299 1.069 20 10 BDCDRO OCCC1CC([NH2+]Cc2cc(F)ccc2O)C1 ZINC000898007994 584070715 /nfs/dbraw/zinc/07/07/15/584070715.db2.gz IVOKVBYTFYTOOP-UHFFFAOYSA-N 1 0 239.290 1.782 20 10 BDCDRO Cc1ccc(C[NH2+]C2CC(CCO)C2)c(O)c1 ZINC000898015966 584074652 /nfs/dbraw/zinc/07/46/52/584074652.db2.gz WBVLLWCONHPOCH-UHFFFAOYSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1cn(C)cn1 ZINC000898043162 584080503 /nfs/dbraw/zinc/08/05/03/584080503.db2.gz GRUHJJWEQOFILF-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO O[C@@H](CC[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000898206080 584091580 /nfs/dbraw/zinc/09/15/80/584091580.db2.gz LJUCQNQXKSAGMS-AWEZNQCLSA-N 1 0 247.338 1.872 20 10 BDCDRO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000841058270 584125958 /nfs/dbraw/zinc/12/59/58/584125958.db2.gz RJWQTQKSDMQWMA-QWRGUYRKSA-N 1 0 238.306 1.891 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000873253027 584128151 /nfs/dbraw/zinc/12/81/51/584128151.db2.gz XVIWMGVYNDIWFG-ATZCPNFKSA-N 1 0 238.306 1.919 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCON)c1 ZINC000902425324 584593697 /nfs/dbraw/zinc/59/36/97/584593697.db2.gz LZKWNYNZSYNYBI-VIFPVBQESA-N 1 0 240.303 1.332 20 10 BDCDRO CN(C[C@H]1C[C@@H]([NH3+])C1)c1ccc2c(c1)OCO2 ZINC000904331175 584866027 /nfs/dbraw/zinc/86/60/27/584866027.db2.gz DQBIPRMSUQXAGO-AOOOYVTPSA-N 1 0 234.299 1.589 20 10 BDCDRO [NH3+]CC[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000904405449 584878704 /nfs/dbraw/zinc/87/87/04/584878704.db2.gz JANPNSPCACDTTR-JTQLQIEISA-N 1 0 238.306 1.702 20 10 BDCDRO CC1(C)[NH2+]CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841086333 584883773 /nfs/dbraw/zinc/88/37/73/584883773.db2.gz NBFNINSPLADPTF-CQSZACIVSA-N 1 0 246.354 1.852 20 10 BDCDRO CN(C(=O)CC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877078929 584889614 /nfs/dbraw/zinc/88/96/14/584889614.db2.gz JZAVDYCEHNUGDF-UHFFFAOYSA-N 1 0 247.342 1.621 20 10 BDCDRO COCC1(C)C[NH+](Cc2ccccc2O)C1 ZINC000839145061 585092124 /nfs/dbraw/zinc/09/21/24/585092124.db2.gz GRBBKVQMGCESKN-UHFFFAOYSA-N 1 0 221.300 1.861 20 10 BDCDRO CC1(CO)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839145679 585092270 /nfs/dbraw/zinc/09/22/70/585092270.db2.gz QBVLUXJTUUZHJS-UHFFFAOYSA-N 1 0 225.263 1.346 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC(C(C)(C)O)C2)cc1 ZINC000839139521 585094431 /nfs/dbraw/zinc/09/44/31/585094431.db2.gz HPJKJFSLILGZAJ-UHFFFAOYSA-N 1 0 248.370 1.955 20 10 BDCDRO Cc1cccc(C[NH+]2CC(C(C)(C)O)C2)c1O ZINC000839140683 585094566 /nfs/dbraw/zinc/09/45/66/585094566.db2.gz SRYPIVNIFUQJAJ-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO C[NH2+]CCN(C)C/C=C\c1ccc(N(C)C)cc1 ZINC000843057768 585336893 /nfs/dbraw/zinc/33/68/93/585336893.db2.gz UPNYVOONHNXEAB-WAYWQWQTSA-N 1 0 247.386 1.917 20 10 BDCDRO Oc1cc2c(cc1C[NH+]1CCCCC1)[C@H](O)CO2 ZINC000768438705 585538490 /nfs/dbraw/zinc/53/84/90/585538490.db2.gz XFIFZIAQEZZRGU-CYBMUJFWSA-N 1 0 249.310 1.804 20 10 BDCDRO COCCC[N@H+](C)Cc1c(O)cccc1OC ZINC000769138839 585549702 /nfs/dbraw/zinc/54/97/02/585549702.db2.gz AWGQUXGQVVOBJK-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)Cc2cn[nH]c2)c1 ZINC000775700265 585683525 /nfs/dbraw/zinc/68/35/25/585683525.db2.gz LYPIZXKVYHKXHC-UHFFFAOYSA-N 1 0 247.298 1.756 20 10 BDCDRO C[C@H](NC(=O)C[NH+](C)C)c1ccc(N(C)C)cc1 ZINC000776270080 585694269 /nfs/dbraw/zinc/69/42/69/585694269.db2.gz PIWHOGOYCLIERJ-NSHDSACASA-N 1 0 249.358 1.491 20 10 BDCDRO Cc1cc(O)c(C[NH2+]Cc2cn(C)nn2)cc1C ZINC000782969328 585826711 /nfs/dbraw/zinc/82/67/11/585826711.db2.gz NVYTZUYJPICWRU-UHFFFAOYSA-N 1 0 246.314 1.427 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)cc1 ZINC000783740114 585841675 /nfs/dbraw/zinc/84/16/75/585841675.db2.gz JDLWQTDMQBYNBL-DZGCQCFKSA-N 1 0 246.354 1.567 20 10 BDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000788266964 585920093 /nfs/dbraw/zinc/92/00/93/585920093.db2.gz DLEGAVLLHHKIBJ-BXUZGUMPSA-N 1 0 234.343 1.708 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788266906 585920195 /nfs/dbraw/zinc/92/01/95/585920195.db2.gz CXUXWLXMQHACHS-JQWIXIFHSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cc(O)c(C[N@H+]2C[C@@H](O)C[C@@H]2C)cc1C ZINC000788271148 585920659 /nfs/dbraw/zinc/92/06/59/585920659.db2.gz ZFINUBFKVCKIBR-AAEUAGOBSA-N 1 0 235.327 1.964 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](C)C[C@@H](O)C2CC2)c1 ZINC000809751778 586517452 /nfs/dbraw/zinc/51/74/52/586517452.db2.gz KGFPMAQVECMUKO-CQSZACIVSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cc(C)c([C@@H](C)[NH2+]CCN)c(O)c1 ZINC000817937659 586844017 /nfs/dbraw/zinc/84/40/17/586844017.db2.gz ZAFJEHXLMFBCQX-SNVBAGLBSA-N 1 0 208.305 1.618 20 10 BDCDRO CC[NH2+]CCN[C@@H](C)c1ccc(C)cc1O ZINC000817951987 586847631 /nfs/dbraw/zinc/84/76/31/586847631.db2.gz MMTDSDPECMJLBH-NSHDSACASA-N 1 0 222.332 1.961 20 10 BDCDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000817953305 586849295 /nfs/dbraw/zinc/84/92/95/586849295.db2.gz ZTIDAOBFFIIORT-GHMZBOCLSA-N 1 0 220.316 1.795 20 10 BDCDRO Cc1cc(Cl)cc([C@@H](C)NC2C[NH2+]C2)c1O ZINC000817956310 586849811 /nfs/dbraw/zinc/84/98/11/586849811.db2.gz WGZMAMLLKNRBPT-MRVPVSSYSA-N 1 0 240.734 1.976 20 10 BDCDRO C[C@H](NC1C[NH2+]C1)c1cc(F)ccc1O ZINC000817955872 586849854 /nfs/dbraw/zinc/84/98/54/586849854.db2.gz JXJUSBWVJHJGQG-ZETCQYMHSA-N 1 0 210.252 1.154 20 10 BDCDRO C[C@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CCO1 ZINC000817956436 586850831 /nfs/dbraw/zinc/85/08/31/586850831.db2.gz YYPPZWLLNXKDNF-FZMZJTMJSA-N 1 0 234.343 1.968 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CN)c(O)c1 ZINC000817966296 586854582 /nfs/dbraw/zinc/85/45/82/586854582.db2.gz KXZSUOZHJSOMTJ-NXEZZACHSA-N 1 0 208.305 1.698 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN)c1 ZINC000817966896 586855545 /nfs/dbraw/zinc/85/55/45/586855545.db2.gz YBJFFPQBBAMXQT-NXEZZACHSA-N 1 0 208.305 1.698 20 10 BDCDRO C[C@@H](N[C@@H](C)C[NH3+])c1cc(F)ccc1O ZINC000817970049 586856658 /nfs/dbraw/zinc/85/66/58/586856658.db2.gz KHDXHVNKKFDADO-JGVFFNPUSA-N 1 0 212.268 1.529 20 10 BDCDRO CC[C@H]([NH3+])CN[C@@H](C)c1cc(F)ccc1O ZINC000817979281 586862203 /nfs/dbraw/zinc/86/22/03/586862203.db2.gz JMLJGCGPIZNPGV-WPRPVWTQSA-N 1 0 226.295 1.919 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818231803 586880961 /nfs/dbraw/zinc/88/09/61/586880961.db2.gz VIMQQCJJZMGLKR-DGCLKSJQSA-N 1 0 237.299 1.404 20 10 BDCDRO C[N@H+](CC[C@H]1CCNC1=O)Cc1ccccc1O ZINC000821390930 587116233 /nfs/dbraw/zinc/11/62/33/587116233.db2.gz FYUMQBVBOPXJAQ-LLVKDONJSA-N 1 0 248.326 1.350 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c1O ZINC000825315437 587314799 /nfs/dbraw/zinc/31/47/99/587314799.db2.gz AIHNEIBMDTYFCY-MFKMUULPSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C/C=C/CO ZINC000826940270 587366112 /nfs/dbraw/zinc/36/61/12/587366112.db2.gz BCNRSOCYNMVCFS-SNAWJCMRSA-N 1 0 234.343 1.699 20 10 BDCDRO C[C@H](O)C1([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000827579544 587389859 /nfs/dbraw/zinc/38/98/59/587389859.db2.gz FWHZSSUCAGHZJP-NSHDSACASA-N 1 0 234.343 1.756 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2([C@H](C)O)CC2)c1 ZINC000827585377 587390294 /nfs/dbraw/zinc/39/02/94/587390294.db2.gz HHASSAZRDRCADM-JTQLQIEISA-N 1 0 221.300 1.704 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1O ZINC000827936827 587410844 /nfs/dbraw/zinc/41/08/44/587410844.db2.gz DARVTNUONIKZOJ-PWSUYJOCSA-N 1 0 248.326 1.664 20 10 BDCDRO C[C@H](NC(=O)C1([NH+](C)C)CC1)c1ccccc1O ZINC000827959772 587413346 /nfs/dbraw/zinc/41/33/46/587413346.db2.gz FPTBXJUEEIIBIZ-JTQLQIEISA-N 1 0 248.326 1.664 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000829763979 587514615 /nfs/dbraw/zinc/51/46/15/587514615.db2.gz DWSHKVBRFMYOFZ-OLZOCXBDSA-N 1 0 247.342 1.024 20 10 BDCDRO Nc1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000832244831 587652278 /nfs/dbraw/zinc/65/22/78/587652278.db2.gz ZJNJCTSMRYSGAC-NSHDSACASA-N 1 0 219.288 1.335 20 10 BDCDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)C[NH+](C)C ZINC000832565107 587666905 /nfs/dbraw/zinc/66/69/05/587666905.db2.gz PGFXLJBKFQQFLM-QMMMGPOBSA-N 1 0 242.344 1.381 20 10 BDCDRO C[C@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC[NH2+]1 ZINC000834673849 587763665 /nfs/dbraw/zinc/76/36/65/587763665.db2.gz WUSVVXMYTCYGQE-GXFFZTMASA-N 1 0 247.342 1.068 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C1(C(N)=O)CC1 ZINC000840939695 587930498 /nfs/dbraw/zinc/93/04/98/587930498.db2.gz OLQSYEYZLCWGET-UHFFFAOYSA-N 1 0 247.342 1.169 20 10 BDCDRO CC(C)([NH3+])CNCc1c(O)cccc1Cl ZINC000841031598 587936090 /nfs/dbraw/zinc/93/60/90/587936090.db2.gz XOYFVJNVJPNHDK-UHFFFAOYSA-N 1 0 228.723 1.873 20 10 BDCDRO Cc1cccc(CNC[C@H]2CCCC[NH2+]2)c1O ZINC000841033622 587937056 /nfs/dbraw/zinc/93/70/56/587937056.db2.gz YCLKGVALSPZMEM-CYBMUJFWSA-N 1 0 234.343 1.932 20 10 BDCDRO Cc1cc(O)c(CN[C@H]2CCC[NH2+]C2)cc1C ZINC000841041657 587938513 /nfs/dbraw/zinc/93/85/13/587938513.db2.gz CWECPXMCTCPBJO-ZDUSSCGKSA-N 1 0 234.343 1.851 20 10 BDCDRO CN(C)c1ccc(/C=C\CN[C@@H]2CC[NH2+]C2)cc1 ZINC000841045488 587939077 /nfs/dbraw/zinc/93/90/77/587939077.db2.gz WJEULSHDCWYREH-VQTKUKTRSA-N 1 0 245.370 1.717 20 10 BDCDRO Cc1cccc(CN[C@@H]2CC[NH2+]C2)c1O ZINC000841045632 587939247 /nfs/dbraw/zinc/93/92/47/587939247.db2.gz ZWYXNAGDOWFGML-LLVKDONJSA-N 1 0 206.289 1.152 20 10 BDCDRO CCOc1cccc(CN[C@@H]2CC[NH2+]C2)c1O ZINC000841045087 587939288 /nfs/dbraw/zinc/93/92/88/587939288.db2.gz OFGVIADWYRCUCC-LLVKDONJSA-N 1 0 236.315 1.242 20 10 BDCDRO [NH3+][C@@H](CNCc1cc(F)ccc1O)C1CC1 ZINC000841049304 587939879 /nfs/dbraw/zinc/93/98/79/587939879.db2.gz JPBXUQKSCZBVGV-NSHDSACASA-N 1 0 224.279 1.358 20 10 BDCDRO COc1cccc(O)c1CNCC(F)(F)CN ZINC000841059437 587940742 /nfs/dbraw/zinc/94/07/42/587940742.db2.gz DLGQATLTDVJMMG-UHFFFAOYSA-N 1 0 246.257 1.084 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1cccc(C)c1O ZINC000841064873 587941746 /nfs/dbraw/zinc/94/17/46/587941746.db2.gz DEZQXOCNTCDDJO-LLVKDONJSA-N 1 0 222.332 1.788 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1cccc(OC)c1O ZINC000841066788 587942339 /nfs/dbraw/zinc/94/23/39/587942339.db2.gz WJTKVHOFMKVNTN-SNVBAGLBSA-N 1 0 238.331 1.488 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2C[C@H](F)CN2)c1 ZINC000841077402 587944840 /nfs/dbraw/zinc/94/48/40/587944840.db2.gz AQWDMKUHLIUVEU-RYUDHWBXSA-N 1 0 238.306 1.490 20 10 BDCDRO CC1(C)[NH2+]CC[C@H]1NCc1ccccc1O ZINC000841085549 587945499 /nfs/dbraw/zinc/94/54/99/587945499.db2.gz GSUWNTIFNQKNRP-GFCCVEGCSA-N 1 0 220.316 1.622 20 10 BDCDRO [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000841084532 587945605 /nfs/dbraw/zinc/94/56/05/587945605.db2.gz KHGCNHVDCVFCOF-KOLCDFICSA-N 1 0 238.306 1.748 20 10 BDCDRO CN(C)c1ccc(/C=C/CN(C)CC[NH3+])cc1 ZINC000841101264 587946417 /nfs/dbraw/zinc/94/64/17/587946417.db2.gz UUMJYAJSFQTPJI-SNAWJCMRSA-N 1 0 233.359 1.656 20 10 BDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000842752727 588059420 /nfs/dbraw/zinc/05/94/20/588059420.db2.gz SRTOTIGARQEDNW-TZMCWYRMSA-N 1 0 249.310 1.125 20 10 BDCDRO [NH3+][C@@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000843043699 588075231 /nfs/dbraw/zinc/07/52/31/588075231.db2.gz DCFGRELQECGGIA-SNVBAGLBSA-N 1 0 224.279 1.454 20 10 BDCDRO [NH3+]C1CC[NH+](Cc2cccc(Cl)c2[O-])CC1 ZINC000843047756 588075836 /nfs/dbraw/zinc/07/58/36/588075836.db2.gz ZVEAUJRRPGFPKS-UHFFFAOYSA-N 1 0 240.734 1.969 20 10 BDCDRO COc1cccc(O)c1CN(C)[C@@H]1CC[NH2+]C1 ZINC000843049600 588076765 /nfs/dbraw/zinc/07/67/65/588076765.db2.gz SJPWJGGOTJZNNV-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO Cc1cccc(CN2C[C@H](C)[NH2+][C@@H](C)C2)c1O ZINC000843049753 588076871 /nfs/dbraw/zinc/07/68/71/588076871.db2.gz VPZGBYUJKJGTEB-RYUDHWBXSA-N 1 0 234.343 1.883 20 10 BDCDRO COc1ccc(N(C)CCOCC[NH3+])cc1F ZINC000843359215 588103568 /nfs/dbraw/zinc/10/35/68/588103568.db2.gz NGBXYVZZPLADOA-UHFFFAOYSA-N 1 0 242.294 1.246 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC(C)(C(N)=O)C2)c1 ZINC000843415788 588107335 /nfs/dbraw/zinc/10/73/35/588107335.db2.gz KMWDFTUJBLJJTB-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000846168811 588258901 /nfs/dbraw/zinc/25/89/01/588258901.db2.gz LZMMZDFMZMCHJO-BBBLOLIVSA-N 1 0 237.299 1.575 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@H]2CCOC2)c1O ZINC000846158498 588259128 /nfs/dbraw/zinc/25/91/28/588259128.db2.gz ZWTBGEHJIMZEKJ-ZJUUUORDSA-N 1 0 237.299 1.840 20 10 BDCDRO Oc1ccccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000850113888 588520353 /nfs/dbraw/zinc/52/03/53/588520353.db2.gz ZAHNXPOIRQIJCV-UHFFFAOYSA-N 1 0 243.310 1.825 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@]1(C)OC ZINC000850408758 588544512 /nfs/dbraw/zinc/54/45/12/588544512.db2.gz DVXHMJXUTQXUFO-OLZOCXBDSA-N 1 0 237.299 1.668 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000850417909 588545033 /nfs/dbraw/zinc/54/50/33/588545033.db2.gz QRVUPIRCLXEOJF-AULYBMBSSA-N 1 0 220.316 1.366 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000852790455 588702916 /nfs/dbraw/zinc/70/29/16/588702916.db2.gz QNPGOKUCMFDWFB-WDEREUQCSA-N 1 0 219.288 1.335 20 10 BDCDRO CC(C)[C@H]([NH3+])CCNC(=O)Cc1ccc(N)cc1 ZINC000852867936 588709373 /nfs/dbraw/zinc/70/93/73/588709373.db2.gz IJIMDADUIDDNES-CYBMUJFWSA-N 1 0 249.358 1.301 20 10 BDCDRO COc1cccc(C[NH2+]CC2(CO)CC2)c1O ZINC000118906870 589204338 /nfs/dbraw/zinc/20/43/38/589204338.db2.gz UDHSDUAKUCZZKB-UHFFFAOYSA-N 1 0 237.299 1.263 20 10 BDCDRO COc1ccc(CN[C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000863486611 589293280 /nfs/dbraw/zinc/29/32/80/589293280.db2.gz BFKHGBBCGISGBJ-WCQYABFASA-N 1 0 234.343 1.844 20 10 BDCDRO COc1ccc(O)c(CN[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863486819 589293319 /nfs/dbraw/zinc/29/33/19/589293319.db2.gz FTGCWIBAENMYJA-JOYOIKCWSA-N 1 0 236.315 1.241 20 10 BDCDRO CCc1cccc(C[NH2+]C2(C)COC2)c1O ZINC000864049931 589335371 /nfs/dbraw/zinc/33/53/71/589335371.db2.gz OSTGGNGXSLCJAU-UHFFFAOYSA-N 1 0 221.300 1.833 20 10 BDCDRO C[C@@H](NC(=O)CC1([NH3+])CCC1)c1ccccc1O ZINC000870988071 589706788 /nfs/dbraw/zinc/70/67/88/589706788.db2.gz FWIBGOJIGZHDFC-SNVBAGLBSA-N 1 0 248.326 1.841 20 10 BDCDRO CC[NH+](CC)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200897 589744413 /nfs/dbraw/zinc/74/44/13/589744413.db2.gz MDFCHSZBZRXUMH-UHFFFAOYSA-N 1 0 248.326 1.576 20 10 BDCDRO CC[C@H](C(=O)N1Cc2cccc(O)c2C1)[NH+](C)C ZINC000871203662 589744541 /nfs/dbraw/zinc/74/45/41/589744541.db2.gz PLCTUARFWOBEHT-GFCCVEGCSA-N 1 0 248.326 1.575 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000873216545 589998139 /nfs/dbraw/zinc/99/81/39/589998139.db2.gz QEJHFQGAHXODOZ-GXSJLCMTSA-N 1 0 238.306 1.558 20 10 BDCDRO COC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000876501228 590202781 /nfs/dbraw/zinc/20/27/81/590202781.db2.gz KZHCEMBQYPXDAL-NSHDSACASA-N 1 0 237.303 1.108 20 10 BDCDRO Cc1ccc(C[N@H+]2CCCN(C)CC2)c(O)c1 ZINC000876510936 590205655 /nfs/dbraw/zinc/20/56/55/590205655.db2.gz SCKRCXHLHAXDNM-UHFFFAOYSA-N 1 0 234.343 1.838 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876594912 590219644 /nfs/dbraw/zinc/21/96/44/590219644.db2.gz TXJZDMDYSAJRAT-GFCCVEGCSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000876743842 590236305 /nfs/dbraw/zinc/23/63/05/590236305.db2.gz IVYLZAWGKWTVAE-GXTWGEPZSA-N 1 0 246.354 1.884 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCC(=O)N(C)C1 ZINC000877053118 590275096 /nfs/dbraw/zinc/27/50/96/590275096.db2.gz CZAOPYSLOKSOSK-NSHDSACASA-N 1 0 248.326 1.411 20 10 BDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877076701 590278578 /nfs/dbraw/zinc/27/85/78/590278578.db2.gz UDDXLQQQDSQLFI-GXFFZTMASA-N 1 0 247.342 1.620 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877076928 590278598 /nfs/dbraw/zinc/27/85/98/590278598.db2.gz XHOHEXKVNJZYNP-OLZOCXBDSA-N 1 0 247.342 1.620 20 10 BDCDRO CN(C(=O)CC[C@@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000877077940 590279099 /nfs/dbraw/zinc/27/90/99/590279099.db2.gz WVFYBMDLYARNKZ-LLVKDONJSA-N 1 0 247.342 1.621 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1(CO)CC1 ZINC000877078548 590279390 /nfs/dbraw/zinc/27/93/90/590279390.db2.gz UJCNZEPACRERNO-UHFFFAOYSA-N 1 0 221.300 1.563 20 10 BDCDRO CN(C(=O)C1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877079178 590279583 /nfs/dbraw/zinc/27/95/83/590279583.db2.gz UAUKLUTXVMXQRK-UHFFFAOYSA-N 1 0 233.315 1.231 20 10 BDCDRO CN(C(=O)CC(C)(C)[NH3+])c1ccc(N)cc1 ZINC000877079098 590279599 /nfs/dbraw/zinc/27/95/99/590279599.db2.gz QIYRZJSFJZQLDK-UHFFFAOYSA-N 1 0 221.304 1.359 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)CO ZINC000877117119 590288301 /nfs/dbraw/zinc/28/83/01/590288301.db2.gz JOPIUYYGZKKBNM-UHFFFAOYSA-N 1 0 223.316 1.809 20 10 BDCDRO CC[C@](C)(CO)[NH2+]Cc1ccc(C)cc1O ZINC000877143377 590291709 /nfs/dbraw/zinc/29/17/09/590291709.db2.gz MVNFGJVZFGUEOU-CYBMUJFWSA-N 1 0 223.316 1.951 20 10 BDCDRO CCOCC[NH2+]Cc1ccc(C)cc1O ZINC000877145402 590292261 /nfs/dbraw/zinc/29/22/61/590292261.db2.gz GZXXTTBMZURTLU-UHFFFAOYSA-N 1 0 209.289 1.827 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@@H](C)O ZINC000877195268 590299470 /nfs/dbraw/zinc/29/94/70/590299470.db2.gz FWVZDSPZDRFHBD-GHMZBOCLSA-N 1 0 223.316 1.950 20 10 BDCDRO CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000877256865 590304101 /nfs/dbraw/zinc/30/41/01/590304101.db2.gz GMNNGZXJLSKZIH-VHSXEESVSA-N 1 0 236.315 1.567 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1O ZINC000877256477 590304318 /nfs/dbraw/zinc/30/43/18/590304318.db2.gz XAKQJTIXDZJIMU-OPRDCNLKSA-N 1 0 234.299 1.307 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2C[C@H](O)C2(C)C)c(O)c1 ZINC000877430719 590326141 /nfs/dbraw/zinc/32/61/41/590326141.db2.gz POQAZVNFQOALQQ-OLZOCXBDSA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c(O)c1 ZINC000877463999 590333086 /nfs/dbraw/zinc/33/30/86/590333086.db2.gz IETOMNYOXFVPCQ-AAEUAGOBSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC000877468072 590333441 /nfs/dbraw/zinc/33/34/41/590333441.db2.gz YCMCPUSIMCDOAG-ZYHUDNBSSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CN(C)C ZINC000877523698 590346711 /nfs/dbraw/zinc/34/67/11/590346711.db2.gz LYRNDNNNCPPEML-NSHDSACASA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c(O)c1 ZINC000877546959 590352677 /nfs/dbraw/zinc/35/26/77/590352677.db2.gz WCYMUEUAFBNMQS-ITGUQSILSA-N 1 0 233.311 1.371 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c(O)c1 ZINC000877571828 590363198 /nfs/dbraw/zinc/36/31/98/590363198.db2.gz KHXMEHDKOBKBDM-ZYHUDNBSSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@]2(C)CCC(=O)N2)c(O)c1 ZINC000877578107 590363710 /nfs/dbraw/zinc/36/37/10/590363710.db2.gz UZEUDJGCTVFPCX-CQSZACIVSA-N 1 0 248.326 1.459 20 10 BDCDRO C[C@H](CCO)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877614964 590375113 /nfs/dbraw/zinc/37/51/13/590375113.db2.gz KURHVEYOEZASST-MRVPVSSYSA-N 1 0 245.269 1.873 20 10 BDCDRO Cc1ccc(C[NH2+]C/C=C/CO)c(O)c1 ZINC000877624060 590377260 /nfs/dbraw/zinc/37/72/60/590377260.db2.gz IFYBJGIXTDUVON-NSCUHMNNSA-N 1 0 207.273 1.339 20 10 BDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877641566 590382246 /nfs/dbraw/zinc/38/22/46/590382246.db2.gz ZDXWIDDVYLSMPM-HAQNSBGRSA-N 1 0 249.310 1.742 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C2(C)COC2)cc1 ZINC000877691773 590388524 /nfs/dbraw/zinc/38/85/24/590388524.db2.gz WCOJYAPQAQURDM-UHFFFAOYSA-N 1 0 220.316 1.631 20 10 BDCDRO Cc1cccc(C[NH2+]C2(C)COC2)c1O ZINC000877691558 590393412 /nfs/dbraw/zinc/39/34/12/590393412.db2.gz RFYIPYCSIYVBGP-UHFFFAOYSA-N 1 0 207.273 1.579 20 10 BDCDRO CC(C)(CCO)[NH2+]Cc1ccccc1O ZINC000127132263 590574097 /nfs/dbraw/zinc/57/40/97/590574097.db2.gz IDHKOGJTCSOXJB-UHFFFAOYSA-N 1 0 209.289 1.643 20 10 BDCDRO C[C@@H]([NH2+]CC(=O)N1CCC1)c1ccccc1O ZINC000879648993 590842527 /nfs/dbraw/zinc/84/25/27/590842527.db2.gz IQTGZUPRBNGPMF-SNVBAGLBSA-N 1 0 234.299 1.275 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccccc1O ZINC000879650907 590843448 /nfs/dbraw/zinc/84/34/48/590843448.db2.gz WIOLWSFETJTVBO-UWVGGRQHSA-N 1 0 235.283 1.748 20 10 BDCDRO [NH3+][C@@H]1CCCN(Cc2c(O)cccc2Cl)C1 ZINC000128318236 590978814 /nfs/dbraw/zinc/97/88/14/590978814.db2.gz IKIACLOQNGNAKQ-SECBINFHSA-N 1 0 240.734 1.969 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880418545 591027208 /nfs/dbraw/zinc/02/72/08/591027208.db2.gz CBBWEHPFQATLOC-ZFWWWQNUSA-N 1 0 246.354 1.709 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2ccc(N(C)C)cc2)C1 ZINC000128873302 591172074 /nfs/dbraw/zinc/17/20/74/591172074.db2.gz FNHKIBQONQSDNI-ZDUSSCGKSA-N 1 0 233.359 1.546 20 10 BDCDRO C[NH2+]Cc1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881272520 591177595 /nfs/dbraw/zinc/17/75/95/591177595.db2.gz YOHUMAARRSYMBS-UHFFFAOYSA-N 1 0 245.330 1.112 20 10 BDCDRO CC[N@H+](CC(=O)N(C)C)Cc1ccccc1O ZINC000133204685 591778420 /nfs/dbraw/zinc/77/84/20/591778420.db2.gz DXVANBXXKNILLF-UHFFFAOYSA-N 1 0 236.315 1.302 20 10 BDCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC000300334492 592507594 /nfs/dbraw/zinc/50/75/94/592507594.db2.gz ZDRICQJKBPTZCJ-LDYMZIIASA-N 1 0 224.279 1.310 20 10 BDCDRO Cn1cnc(CC[NH2+]Cc2cc(F)ccc2O)c1 ZINC000313270715 634459092 /nfs/dbraw/zinc/45/90/92/634459092.db2.gz BYHMHWNUQWRVRZ-UHFFFAOYSA-N 1 0 249.289 1.597 20 10 BDCDRO Oc1ccccc1CNC[C@@H]1CCCC[NH2+]1 ZINC000236564371 635601821 /nfs/dbraw/zinc/60/18/21/635601821.db2.gz IXSDPYCEWSQMMZ-LBPRGKRZSA-N 1 0 220.316 1.624 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+][C@H](C)COC)c1 ZINC000236869164 635607760 /nfs/dbraw/zinc/60/77/60/635607760.db2.gz NKGVZHOBQFZQLF-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1ccc(N(C)CC(C)(C)[NH3+])cc1 ZINC000049973729 631923852 /nfs/dbraw/zinc/92/38/52/631923852.db2.gz GGIQYQWASBSQKP-UHFFFAOYSA-N 1 0 208.305 1.869 20 10 BDCDRO COC[C@H](CCO)[NH2+]Cc1cccc(C)c1O ZINC000224843366 632084067 /nfs/dbraw/zinc/08/40/67/632084067.db2.gz JTOVYEGNYYDGCL-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000309511666 632433303 /nfs/dbraw/zinc/43/33/03/632433303.db2.gz PQBATQJHLFZQES-GHMZBOCLSA-N 1 0 221.300 1.740 20 10 BDCDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(F)ccc1O ZINC000309298642 632905825 /nfs/dbraw/zinc/90/58/25/632905825.db2.gz LLFXGINCFXYSRX-KWQFWETISA-N 1 0 224.279 1.453 20 10 BDCDRO C[C@@H]1CN(Cc2cccc(F)c2O)CC[NH2+]1 ZINC000309828577 633789096 /nfs/dbraw/zinc/78/90/96/633789096.db2.gz XWPSNDGTKIIDCI-SECBINFHSA-N 1 0 224.279 1.325 20 10 BDCDRO C[C@H](C[NH3+])N(C)Cc1cccc(F)c1O ZINC000309500762 633938884 /nfs/dbraw/zinc/93/88/84/633938884.db2.gz UXAZAHKWMFDJRP-MRVPVSSYSA-N 1 0 212.268 1.310 20 10 BDCDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccccc1O ZINC000309643547 633982224 /nfs/dbraw/zinc/98/22/24/633982224.db2.gz VGMLXKHNYMDCBV-GFCCVEGCSA-N 1 0 223.316 1.746 20 10 BDCDRO CC[C@H]([NH2+][C@H](C)c1ccccc1O)C(N)=O ZINC000310005227 634067241 /nfs/dbraw/zinc/06/72/41/634067241.db2.gz GIZSQSNYJJPFJH-SCZZXKLOSA-N 1 0 222.288 1.307 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)[C@H](C)CO)c1O ZINC000162671753 634272032 /nfs/dbraw/zinc/27/20/32/634272032.db2.gz KBECCLUOTJTVEC-MNOVXSKESA-N 1 0 223.316 1.807 20 10 BDCDRO COc1ccc(N(C)C[C@@H](C)[NH3+])cc1F ZINC000258648321 635179999 /nfs/dbraw/zinc/17/99/99/635179999.db2.gz AIKJTILNOSBOTM-MRVPVSSYSA-N 1 0 212.268 1.618 20 10 BDCDRO c1cc(CN[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000258868728 635218317 /nfs/dbraw/zinc/21/83/17/635218317.db2.gz FYVWNPGPKAQOIN-GFCCVEGCSA-N 1 0 218.300 1.073 20 10 BDCDRO CC(C)N(C)CC[NH2+]Cc1ccccc1O ZINC000054110773 635389571 /nfs/dbraw/zinc/38/95/71/635389571.db2.gz AFCKYMHMRQRGTP-UHFFFAOYSA-N 1 0 222.332 1.822 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000322833327 636882015 /nfs/dbraw/zinc/88/20/15/636882015.db2.gz ZYQFLTSOYSFXMI-JTQLQIEISA-N 1 0 248.326 1.236 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1NCc1cccc(F)c1O ZINC000904461863 637407273 /nfs/dbraw/zinc/40/72/73/637407273.db2.gz KTRXUMMPKREXMU-NSHDSACASA-N 1 0 238.306 1.619 20 10 BDCDRO CN(C)c1ccc(CN[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000904465196 637408464 /nfs/dbraw/zinc/40/84/64/637408464.db2.gz YTIGSDQAQPPRQN-AWEZNQCLSA-N 1 0 247.386 1.840 20 10 BDCDRO NOCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000904455878 637417465 /nfs/dbraw/zinc/41/74/65/637417465.db2.gz ANENIFDZFBPPRL-UHFFFAOYSA-N 1 0 236.315 1.382 20 10 BDCDRO OCC1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000226613873 640779937 /nfs/dbraw/zinc/77/99/37/640779937.db2.gz VHTXBOMUCKKYBG-UHFFFAOYSA-N 1 0 225.263 1.393 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCC[C@@H](C)O)c1 ZINC000228090737 640859745 /nfs/dbraw/zinc/85/97/45/640859745.db2.gz BDHDCAUFMNLPMM-SNVBAGLBSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCOC1)c1ccccc1O ZINC000087783053 641037018 /nfs/dbraw/zinc/03/70/18/641037018.db2.gz SJLIJQFCALURPS-UWVGGRQHSA-N 1 0 207.273 1.832 20 10 BDCDRO Cn1ccc(CC[NH2+]Cc2cc(F)ccc2O)n1 ZINC000230943502 641118544 /nfs/dbraw/zinc/11/85/44/641118544.db2.gz SDNXQLQNHSPFTQ-UHFFFAOYSA-N 1 0 249.289 1.597 20 10 BDCDRO Nc1ccc(CCNC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000152572223 641614958 /nfs/dbraw/zinc/61/49/58/641614958.db2.gz MTKVOLPUOSCSLA-CYBMUJFWSA-N 1 0 247.342 1.070 20 10 BDCDRO C[C@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)[NH2+]1 ZINC000153355600 641764982 /nfs/dbraw/zinc/76/49/82/641764982.db2.gz YVNZGEKEOVWSKM-QWRGUYRKSA-N 1 0 247.342 1.020 20 10 BDCDRO NC(=O)C1([NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000191482672 641922438 /nfs/dbraw/zinc/92/24/38/641922438.db2.gz FLXWHVQDWBGCIY-UHFFFAOYSA-N 1 0 240.690 1.153 20 10 BDCDRO CCOc1cccc(C[NH2+]CC[C@H](C)O)c1O ZINC000078780162 641955037 /nfs/dbraw/zinc/95/50/37/641955037.db2.gz TWWKFCXJXOZHEK-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1 ZINC000070075568 642417228 /nfs/dbraw/zinc/41/72/28/642417228.db2.gz CUGTXCUNGVNVJU-TXEJJXNPSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000070075011 642961483 /nfs/dbraw/zinc/96/14/83/642961483.db2.gz DSTUZCGLBSVYMD-BETUJISGSA-N 1 0 247.386 1.935 20 10 BDCDRO C[C@@H]1CCC[N@H+](Cc2ccccc2O)[C@@H]1CN ZINC000070175710 642985944 /nfs/dbraw/zinc/98/59/44/642985944.db2.gz YSGNHAYMMQYRNB-DGCLKSJQSA-N 1 0 234.343 1.951 20 10 BDCDRO CCOc1cccc(CN(C)CC[NH2+]C)c1O ZINC000070303293 643012457 /nfs/dbraw/zinc/01/24/57/643012457.db2.gz WPEPJQUOSVHAFE-UHFFFAOYSA-N 1 0 238.331 1.442 20 10 BDCDRO Cc1ccc(O)c(CN(C)[C@H]2CC[NH2+]C2)c1 ZINC000070955797 643086552 /nfs/dbraw/zinc/08/65/52/643086552.db2.gz AGFUNFGXPZCGEQ-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO C[NH2+][C@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000071409480 643141310 /nfs/dbraw/zinc/14/13/10/643141310.db2.gz LTHUUAPYABAPAB-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCn2cccn2)c1 ZINC000071408330 643142010 /nfs/dbraw/zinc/14/20/10/643142010.db2.gz LJDWWQUONNGQHB-UHFFFAOYSA-N 1 0 231.299 1.687 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000083345887 643436675 /nfs/dbraw/zinc/43/66/75/643436675.db2.gz VNDMMXWEMUJRFW-NSHDSACASA-N 1 0 209.289 1.561 20 10 BDCDRO CN(Cc1ccccc1O)[C@H]1CC[NH2+]C1 ZINC000070892624 643465995 /nfs/dbraw/zinc/46/59/95/643465995.db2.gz WQVZDDGVZPLPNI-NSHDSACASA-N 1 0 206.289 1.186 20 10 BDCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922130013 643867208 /nfs/dbraw/zinc/86/72/08/643867208.db2.gz WHIHQKWXLIRBRI-GHMZBOCLSA-N 1 0 235.327 1.871 20 10 BDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922297830 643960083 /nfs/dbraw/zinc/96/00/83/643960083.db2.gz BXFQLLIEGCFIOR-XBXGTLAGSA-N 1 0 247.338 1.872 20 10 BDCDRO OC[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000923008615 644232705 /nfs/dbraw/zinc/23/27/05/644232705.db2.gz UBVWPXVROHIHLD-HOMQSWHASA-N 1 0 207.273 1.253 20 10 BDCDRO COc1cccc(C[NH2+]Cc2ncc[nH]2)c1O ZINC000080581148 644276765 /nfs/dbraw/zinc/27/67/65/644276765.db2.gz CCWVVGHPADNHGG-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923278372 644312934 /nfs/dbraw/zinc/31/29/34/644312934.db2.gz SFSAKVRBBOXYEP-CQSZACIVSA-N 1 0 247.386 1.855 20 10 BDCDRO [NH3+]CCCCC(=O)NCc1ccccc1O ZINC000083351971 644404214 /nfs/dbraw/zinc/40/42/14/644404214.db2.gz ZJYUKNYDHUQJRE-UHFFFAOYSA-N 1 0 222.288 1.137 20 10 BDCDRO c1cc2c(cc1CN[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000084565847 644427938 /nfs/dbraw/zinc/42/79/38/644427938.db2.gz PNUUPBHXFKBHRI-CQSZACIVSA-N 1 0 246.354 1.853 20 10 BDCDRO CC1(C)CN(C(=O)Cc2ccc(N)cc2)CC[NH2+]1 ZINC000841854890 645231110 /nfs/dbraw/zinc/23/11/10/645231110.db2.gz BQBPARSULFLQIK-UHFFFAOYSA-N 1 0 247.342 1.022 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1C ZINC000846046927 645392343 /nfs/dbraw/zinc/39/23/43/645392343.db2.gz QOZWZAGFNFIGGQ-TXEJJXNPSA-N 1 0 248.326 1.357 20 10 BDCDRO OC[C@@H](CCF)[NH2+]Cc1cc(F)ccc1O ZINC000846097096 645405467 /nfs/dbraw/zinc/40/54/67/645405467.db2.gz DNBFWFRWSDIUOO-SNVBAGLBSA-N 1 0 231.242 1.341 20 10 BDCDRO CC(=O)NCC[N@@H+](C)Cc1c(C)cccc1O ZINC000877606377 645800869 /nfs/dbraw/zinc/80/08/69/645800869.db2.gz ZHFOHQVXGNAKNY-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1nnc(CC[N@@H+](C)Cc2ccccc2O)o1 ZINC000929975915 646382907 /nfs/dbraw/zinc/38/29/07/646382907.db2.gz KHUPUKQYLIBIIZ-UHFFFAOYSA-N 1 0 247.298 1.758 20 10 BDCDRO CC[C@H]([NH2+][C@@H]1CNOC1)c1ccc(C)cc1O ZINC000925859409 646513393 /nfs/dbraw/zinc/51/33/93/646513393.db2.gz HYJNAVSXPMXGHQ-PWSUYJOCSA-N 1 0 236.315 1.645 20 10 BDCDRO C[C@H]([NH2+][C@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925870855 646522784 /nfs/dbraw/zinc/52/27/84/646522784.db2.gz XQXMNSXBMVJELC-JQWIXIFHSA-N 1 0 235.331 1.307 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1O ZINC000710997378 712273539 /nfs/dbraw/zinc/27/35/39/712273539.db2.gz HLRWBJGEOAMDLB-PWSUYJOCSA-N 1 0 221.300 1.825 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C/C=C/CO)c1 ZINC000717532694 712660710 /nfs/dbraw/zinc/66/07/10/712660710.db2.gz OPYSXNVWTCHTFU-UFFNRZRYSA-N 1 0 221.300 1.900 20 10 BDCDRO C[C@H]1C[C@H]([NH2+]CCO)c2c1c(F)ccc2O ZINC000381259262 710613487 /nfs/dbraw/zinc/61/34/87/710613487.db2.gz RNMDJPJGVGWXFE-CBAPKCEASA-N 1 0 225.263 1.662 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000381496008 710646404 /nfs/dbraw/zinc/64/64/04/710646404.db2.gz BFMOYAIFBIECIT-MNOVXSKESA-N 1 0 219.284 1.758 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000393952353 710831534 /nfs/dbraw/zinc/83/15/34/710831534.db2.gz ZKGYKZZQMAQRTQ-NXEZZACHSA-N 1 0 223.272 1.014 20 10 BDCDRO C/C=C\C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000384763771 710996248 /nfs/dbraw/zinc/99/62/48/710996248.db2.gz QQTXAKFPUKDCBG-IHWYPQMZSA-N 1 0 221.256 1.787 20 10 BDCDRO CN1CCC[NH+]=C1NCc1ccccc1O ZINC000386100798 711022753 /nfs/dbraw/zinc/02/27/53/711022753.db2.gz JSJGRKCQBIECTF-UHFFFAOYSA-N 1 0 219.288 1.173 20 10 BDCDRO Cn1ccc(C[NH2+][C@H]2CCc3cccc(O)c32)n1 ZINC000386205795 711025395 /nfs/dbraw/zinc/02/53/95/711025395.db2.gz MAQMUVNSAVDRFD-LBPRGKRZSA-N 1 0 243.310 1.903 20 10 BDCDRO COCC(COC)[NH2+]Cc1cc(C)ccc1O ZINC000388455787 711061024 /nfs/dbraw/zinc/06/10/24/711061024.db2.gz ZYUVYYCPXONWTB-UHFFFAOYSA-N 1 0 239.315 1.452 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCc1cnccn1 ZINC000389923295 711099025 /nfs/dbraw/zinc/09/90/25/711099025.db2.gz GRDAWJSCVMPPSL-UHFFFAOYSA-N 1 0 247.273 1.654 20 10 BDCDRO CC1(C)CN(Cc2cc(F)ccc2O)CC[NH2+]1 ZINC000396048056 711220369 /nfs/dbraw/zinc/22/03/69/711220369.db2.gz CSQGAJWDWAZVGD-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO CCOc1cccc(C[NH2+]Cc2cnn[nH]2)c1O ZINC000398284174 711406381 /nfs/dbraw/zinc/40/63/81/711406381.db2.gz BKEYKSZCXDDERF-UHFFFAOYSA-N 1 0 248.286 1.199 20 10 BDCDRO OCC1(C[NH2+][C@@H]2CCc3cccc(O)c32)CC1 ZINC000383842225 710951563 /nfs/dbraw/zinc/95/15/63/710951563.db2.gz KOHJYVZSIDRCRA-LLVKDONJSA-N 1 0 233.311 1.742 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@H](C)O ZINC000395372178 711208084 /nfs/dbraw/zinc/20/80/84/711208084.db2.gz VAVRPNFYCPEUKL-GXSJLCMTSA-N 1 0 209.289 1.641 20 10 BDCDRO COC[C@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC000045656952 711488070 /nfs/dbraw/zinc/48/80/70/711488070.db2.gz QROXKVOFYJUQFG-SNVBAGLBSA-N 1 0 239.315 1.773 20 10 BDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CCN1C ZINC000090721239 711503258 /nfs/dbraw/zinc/50/32/58/711503258.db2.gz ULPUYZMYDUJNPC-WCQYABFASA-N 1 0 234.343 1.965 20 10 BDCDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1ccccc1O ZINC000724879945 711622984 /nfs/dbraw/zinc/62/29/84/711622984.db2.gz GKEDVMZJEPXTDC-DGCLKSJQSA-N 1 0 237.299 1.286 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)[C@H](C)O ZINC000386712220 711642675 /nfs/dbraw/zinc/64/26/75/711642675.db2.gz PSBIXMMZGFSQIF-CMPLNLGQSA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000092954827 711711805 /nfs/dbraw/zinc/71/18/05/711711805.db2.gz GJFCPOIWBQPTAI-ZYHUDNBSSA-N 1 0 248.326 1.349 20 10 BDCDRO COc1cccc(CN2CC[NH2+]C[C@@H]2C)c1O ZINC000722385043 711753200 /nfs/dbraw/zinc/75/32/00/711753200.db2.gz DYRMFLDNWGGSJM-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO CC[NH2+]CCNCc1ccc(N(C)C)cc1 ZINC000161330604 711811534 /nfs/dbraw/zinc/81/15/34/711811534.db2.gz GFUQSYHKPBYXQT-UHFFFAOYSA-N 1 0 221.348 1.452 20 10 BDCDRO COc1ccc(O)c(CN(C)[C@H](C)C[NH3+])c1 ZINC000382993412 711905518 /nfs/dbraw/zinc/90/55/18/711905518.db2.gz FNSGCDVBUFZTHI-SECBINFHSA-N 1 0 224.304 1.180 20 10 BDCDRO Oc1ccccc1C[NH2+]CC1CC2(C1)OCCO2 ZINC000922798995 711976758 /nfs/dbraw/zinc/97/67/58/711976758.db2.gz NTNOVYVCFUWTNA-UHFFFAOYSA-N 1 0 249.310 1.635 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCCN(C)C2=O)c1O ZINC000704379916 712105316 /nfs/dbraw/zinc/10/53/16/712105316.db2.gz FZJAKFNDFBOYSN-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccccc1O ZINC000707764255 712177940 /nfs/dbraw/zinc/17/79/40/712177940.db2.gz ZUKHDPDGGBZLLL-ZYHUDNBSSA-N 1 0 248.326 1.664 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@H](O)COC)c1O ZINC000709414399 712221393 /nfs/dbraw/zinc/22/13/93/712221393.db2.gz CDCNVNCWQAHLNW-LBPRGKRZSA-N 1 0 239.315 1.052 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2COC[C@H]2C)c1 ZINC000710878283 712260707 /nfs/dbraw/zinc/26/07/07/712260707.db2.gz XIEARKWQNSFWOL-BXKDBHETSA-N 1 0 237.299 1.525 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCN2C)cc1 ZINC000712581287 712433671 /nfs/dbraw/zinc/43/36/71/712433671.db2.gz LXICOOFIFSKAMO-CQSZACIVSA-N 1 0 233.359 1.546 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1cc(F)ccc1O ZINC000712596582 712435828 /nfs/dbraw/zinc/43/58/28/712435828.db2.gz VCFOZTXVDYJMFZ-KOLCDFICSA-N 1 0 238.306 1.886 20 10 BDCDRO Cc1cccc(C[NH2+]CC[C@@H](O)C(F)F)c1O ZINC000716714889 712570688 /nfs/dbraw/zinc/57/06/88/712570688.db2.gz WVNAOVRHOGJQQC-SNVBAGLBSA-N 1 0 245.269 1.806 20 10 BDCDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccccc1O ZINC000379983183 712643864 /nfs/dbraw/zinc/64/38/64/712643864.db2.gz SXSXFFWBQGVLQT-ONGXEEELSA-N 1 0 206.289 1.314 20 10 BDCDRO COc1ccc(C[NH2+]C/C=C/CO)cc1C ZINC000717532258 712660497 /nfs/dbraw/zinc/66/04/97/712660497.db2.gz MQQVYFNYTPDXIK-ONEGZZNKSA-N 1 0 221.300 1.642 20 10 BDCDRO OC/C=C/C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000717532236 712660780 /nfs/dbraw/zinc/66/07/80/712660780.db2.gz IJADYHRJSWGVKJ-GXFZAYBSSA-N 1 0 219.284 1.518 20 10 BDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCC1 ZINC000717615447 712662464 /nfs/dbraw/zinc/66/24/64/712662464.db2.gz TXXTVAASMXFUAZ-AWEZNQCLSA-N 1 0 247.338 1.872 20 10 BDCDRO OC[C@@H]([NH2+]Cc1ccccc1O)C1CCC1 ZINC000717617443 712662677 /nfs/dbraw/zinc/66/26/77/712662677.db2.gz WATBBQATYRCWHG-GFCCVEGCSA-N 1 0 221.300 1.643 20 10 BDCDRO C[C@H]([NH3+])CC(=O)N(C)Cc1ccccc1O ZINC000037823782 712768695 /nfs/dbraw/zinc/76/86/95/712768695.db2.gz XZUQYBUERGDVHS-VIFPVBQESA-N 1 0 222.288 1.088 20 10 BDCDRO CN(C)c1ccc(CN2C[C@@H]([NH3+])C(C)(C)C2)cc1 ZINC000720832523 712868859 /nfs/dbraw/zinc/86/88/59/712868859.db2.gz ASHIHPUJNFDLRV-CQSZACIVSA-N 1 0 247.386 1.922 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC001140948094 960745368 /nfs/dbraw/zinc/74/53/68/960745368.db2.gz SJJDTYOUZLWKSE-CMPLNLGQSA-N 1 0 225.263 1.215 20 10 BDCDRO Cn1ccc(CC[NH+]2CCCC2)cc1=O ZINC001250165998 967463357 /nfs/dbraw/zinc/46/33/57/967463357.db2.gz COMSWPGZGBXPGL-UHFFFAOYSA-N 1 0 206.289 1.024 20 10 BDCDRO COCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001209211176 969402808 /nfs/dbraw/zinc/40/28/08/969402808.db2.gz MJCGFQUKTDIKSX-UHFFFAOYSA-N 1 0 207.273 1.397 20 10 BDCDRO C[C@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499426 972846408 /nfs/dbraw/zinc/84/64/08/972846408.db2.gz GJCPDJIZOWDQCQ-QMMMGPOBSA-N 1 0 223.272 1.788 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@]1(O)CCOC1 ZINC000404225630 971149408 /nfs/dbraw/zinc/14/94/08/971149408.db2.gz LCNAIXWRVSJRAR-ZDUSSCGKSA-N 1 0 237.299 1.023 20 10 BDCDRO CCn1cc(C[NH2+]Cc2cccc(C)c2O)nn1 ZINC000404517851 971169453 /nfs/dbraw/zinc/16/94/53/971169453.db2.gz XUHJKYOOLBRYBA-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO Nc1ccc(CO[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC001217928550 971534094 /nfs/dbraw/zinc/53/40/94/971534094.db2.gz AXJCFXZSXOQEPO-LLVKDONJSA-N 1 0 242.269 1.783 20 10 BDCDRO C[NH2+]CCC(=O)NCc1c(C)cc(C)cc1O ZINC001220826006 972262752 /nfs/dbraw/zinc/26/27/52/972262752.db2.gz XKQFMXQLLOUXPB-UHFFFAOYSA-N 1 0 236.315 1.235 20 10 BDCDRO C[N@@H+](Cc1ccc(N)cc1)C[C@H]1CCCO1 ZINC000032013723 957659055 /nfs/dbraw/zinc/65/90/55/957659055.db2.gz MCRZRQSLYRAHHF-CYBMUJFWSA-N 1 0 220.316 1.880 20 10 BDCDRO COc1ccc(N(C)C[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000693595156 958916645 /nfs/dbraw/zinc/91/66/45/958916645.db2.gz GZMFJPSVCKYCOC-PHIMTYICSA-N 1 0 220.316 1.869 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1 ZINC001140622980 959217161 /nfs/dbraw/zinc/21/71/61/959217161.db2.gz KCRZWCQECQIMED-TXEJJXNPSA-N 1 0 219.284 1.674 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCNC2=O)c1 ZINC000693891077 959480441 /nfs/dbraw/zinc/48/04/41/959480441.db2.gz LFJUGMTZEPWJHF-ONGXEEELSA-N 1 0 234.299 1.240 20 10 BDCDRO COC[C@H](CC[NH2+]Cc1ccccc1O)OC ZINC000694374740 959846663 /nfs/dbraw/zinc/84/66/63/959846663.db2.gz QSFIOYFUGPNNGC-LBPRGKRZSA-N 1 0 239.315 1.533 20 10 BDCDRO C[C@H]1CCN(CC[NH2+]Cc2ccccc2O)C1 ZINC000692601765 960333982 /nfs/dbraw/zinc/33/39/82/960333982.db2.gz FOZHECGSHDWEDD-LBPRGKRZSA-N 1 0 234.343 1.824 20 10 BDCDRO CC1(C)C[C@H]([NH2+]Cc2cccc(O)c2O)CO1 ZINC000396576541 960377159 /nfs/dbraw/zinc/37/71/59/960377159.db2.gz FUCOJDQSYVHQJQ-JTQLQIEISA-N 1 0 237.299 1.755 20 10 BDCDRO CO[C@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@@H]1F ZINC001140617051 960458509 /nfs/dbraw/zinc/45/85/09/960458509.db2.gz BAQUVRDCYLKWDR-AAEUAGOBSA-N 1 0 239.290 1.869 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001140617507 960462143 /nfs/dbraw/zinc/46/21/43/960462143.db2.gz RUXSVCZKMHJNIZ-YPMHNXCESA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](CO)[C@H]2C)c1 ZINC001140617725 960462707 /nfs/dbraw/zinc/46/27/07/960462707.db2.gz ZGLDHRDJYHETIY-NEPJUHHUSA-N 1 0 235.327 1.903 20 10 BDCDRO Nc1ccc(CN2CCC[C@@]23CCC[NH2+]C3)cc1 ZINC001222254088 960516022 /nfs/dbraw/zinc/51/60/22/960516022.db2.gz VNBSBAHIPZQUHZ-OAHLLOKOSA-N 1 0 245.370 1.987 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC001140744515 960543345 /nfs/dbraw/zinc/54/33/45/960543345.db2.gz ZZRBNTYXUHWTAE-NSHDSACASA-N 1 0 237.299 1.363 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC(C)(CO)C2)c1O ZINC001140742764 960545949 /nfs/dbraw/zinc/54/59/49/960545949.db2.gz YFECQXZMCXPEFJ-UHFFFAOYSA-N 1 0 237.299 1.220 20 10 BDCDRO Cc1c(O)ccc(C[N@H+](C)CCF)c1O ZINC001140751322 960548659 /nfs/dbraw/zinc/54/86/59/960548659.db2.gz SAHOOEBEXUIQSM-UHFFFAOYSA-N 1 0 213.252 1.808 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCN3CC[C@@H]3C2)c(O)c1 ZINC001140953838 960754856 /nfs/dbraw/zinc/75/48/56/960754856.db2.gz HQAOPWDYKLODAH-CYBMUJFWSA-N 1 0 232.327 1.591 20 10 BDCDRO COC(=O)CC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC001140951133 960759153 /nfs/dbraw/zinc/75/91/53/960759153.db2.gz ZYVVDGMNOOCIAP-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001140950728 960763243 /nfs/dbraw/zinc/76/32/43/960763243.db2.gz FVDCVJVVGZYUFG-RYUDHWBXSA-N 1 0 219.284 1.674 20 10 BDCDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000722280517 960871718 /nfs/dbraw/zinc/87/17/18/960871718.db2.gz YESPKGIDYSXZQW-IUODEOHRSA-N 1 0 247.386 1.792 20 10 BDCDRO CN1CCOc2cc(C[NH+](C)C)ccc21 ZINC001141139468 960885140 /nfs/dbraw/zinc/88/51/40/960885140.db2.gz TZVIUVHGULBBJJ-UHFFFAOYSA-N 1 0 206.289 1.577 20 10 BDCDRO C[C@@]1(O)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156303 960891230 /nfs/dbraw/zinc/89/12/30/960891230.db2.gz JCKJZSJQEAZDKD-GFCCVEGCSA-N 1 0 223.272 1.055 20 10 BDCDRO CC[N@H+](CCOC)Cc1cc(O)ccc1O ZINC001141156422 960892822 /nfs/dbraw/zinc/89/28/22/960892822.db2.gz XGWINIMPDDFBKG-UHFFFAOYSA-N 1 0 225.288 1.566 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)C[C@@H]1F ZINC001141156878 960897157 /nfs/dbraw/zinc/89/71/57/960897157.db2.gz WDFBMCPWGKUYKR-KCJUWKMLSA-N 1 0 225.263 1.888 20 10 BDCDRO Nc1cc[nH+]c(NCc2ccc(O)c(O)c2)c1 ZINC001158994710 963969648 /nfs/dbraw/zinc/96/96/48/963969648.db2.gz SQDGYMNPUTXESK-UHFFFAOYSA-N 1 0 231.255 1.687 20 10 BDCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)C(=O)NC ZINC000697914116 964676529 /nfs/dbraw/zinc/67/65/29/964676529.db2.gz BJFGLUIPVYHAHP-NSHDSACASA-N 1 0 236.315 1.315 20 10 BDCDRO [NH3+][C@H]1CCCN(Cc2ccc(O)c(O)c2)CC1 ZINC001205093971 965722425 /nfs/dbraw/zinc/72/24/25/965722425.db2.gz IGBSKUNMRCBPKV-NSHDSACASA-N 1 0 236.315 1.411 20 10 BDCDRO COCCOc1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC001164281558 965825885 /nfs/dbraw/zinc/82/58/85/965825885.db2.gz GZSFLVPCDYYFNJ-LLVKDONJSA-N 1 0 236.315 1.249 20 10 BDCDRO CCc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235048210 965993090 /nfs/dbraw/zinc/99/30/90/965993090.db2.gz DNBUKSVDRPIOPF-UONOGXRCSA-N 1 0 246.354 1.891 20 10 BDCDRO CN(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001236283433 966328966 /nfs/dbraw/zinc/32/89/66/966328966.db2.gz GXCQIWQEZXWQEI-TZMCWYRMSA-N 1 0 231.343 1.156 20 10 BDCDRO Oc1cc(F)c(F)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236296580 966355311 /nfs/dbraw/zinc/35/53/11/966355311.db2.gz SVNWJBUYGOSRHK-LDYMZIIASA-N 1 0 240.253 1.074 20 10 BDCDRO O=C1CC[N@H+](Cc2ccccc2O)CC[C@H]1F ZINC001203550231 966670602 /nfs/dbraw/zinc/67/06/02/966670602.db2.gz NGVWDMFLUGYASB-LLVKDONJSA-N 1 0 237.274 1.895 20 10 BDCDRO C[NH+](C)C1(C)CN(Cc2ccccc2O)C1 ZINC001203556080 966686402 /nfs/dbraw/zinc/68/64/02/966686402.db2.gz JYSMNQPLMMWYSD-UHFFFAOYSA-N 1 0 220.316 1.528 20 10 BDCDRO CC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203561386 966689944 /nfs/dbraw/zinc/68/99/44/966689944.db2.gz UDHQNHOXBDYAMH-NSHDSACASA-N 1 0 219.284 1.803 20 10 BDCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1O ZINC001203563099 966690534 /nfs/dbraw/zinc/69/05/34/966690534.db2.gz VHYCQQQCDZUPPP-STQMWFEESA-N 1 0 232.327 1.671 20 10 BDCDRO COc1cccc(CN2CCC(=O)C[C@@H]2C)c1O ZINC001203585533 966696244 /nfs/dbraw/zinc/69/62/44/966696244.db2.gz OVADIQWLPFMNCK-JTQLQIEISA-N 1 0 249.310 1.954 20 10 BDCDRO COc1ccc(C[N@H+](C)CC2COC2)c(O)c1 ZINC001203629325 966712767 /nfs/dbraw/zinc/71/27/67/966712767.db2.gz WHNAJECDGKRSSZ-UHFFFAOYSA-N 1 0 237.299 1.479 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)cc1O ZINC001203875162 966805064 /nfs/dbraw/zinc/80/50/64/966805064.db2.gz JHFLOMRJHHJNOR-ZWNOBZJWSA-N 1 0 235.283 1.461 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874628 966805478 /nfs/dbraw/zinc/80/54/78/966805478.db2.gz AUFWZXIOKNWFRP-SNVBAGLBSA-N 1 0 223.272 1.319 20 10 BDCDRO C[C@@H](C[NH3+])N(C)Cc1cc(F)ccc1O ZINC000383004250 966931816 /nfs/dbraw/zinc/93/18/16/966931816.db2.gz YPRMLWUEURWVTI-QMMMGPOBSA-N 1 0 212.268 1.310 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001204272010 966950576 /nfs/dbraw/zinc/95/05/76/966950576.db2.gz GQAZKYLDDPTKAV-PWSUYJOCSA-N 1 0 241.262 1.003 20 10 BDCDRO COC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204272531 966954717 /nfs/dbraw/zinc/95/47/17/966954717.db2.gz PPKYLJZZGAKCGD-UHFFFAOYSA-N 1 0 237.299 1.709 20 10 BDCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204277226 966959722 /nfs/dbraw/zinc/95/97/22/966959722.db2.gz WTKUUFNAVSHNKK-SKDRFNHKSA-N 1 0 237.299 1.443 20 10 BDCDRO C[N@H+](Cc1ccc(O)cc1O)[C@@H]1CCOC1 ZINC001204279088 966960306 /nfs/dbraw/zinc/96/03/06/966960306.db2.gz QBIFUIVYFIQJTQ-SNVBAGLBSA-N 1 0 223.272 1.319 20 10 BDCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204279229 966961426 /nfs/dbraw/zinc/96/14/26/966961426.db2.gz SZCLOXURQFZWOZ-JOYOIKCWSA-N 1 0 237.299 1.443 20 10 BDCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc(O)c1O ZINC001204347088 966976969 /nfs/dbraw/zinc/97/69/69/966976969.db2.gz MEBYVCSUSIBGLW-AOOOYVTPSA-N 1 0 235.283 1.558 20 10 BDCDRO [NH3+][C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC001205101374 967347048 /nfs/dbraw/zinc/34/70/48/967347048.db2.gz DJCNHACERQIRLG-LLVKDONJSA-N 1 0 238.306 1.845 20 10 BDCDRO CNc1ccccc1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162676546 967885050 /nfs/dbraw/zinc/88/50/50/967885050.db2.gz SWHIKIYUMXECFP-NXEZZACHSA-N 1 0 205.305 1.891 20 10 BDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2ccccc2O)C1 ZINC001206402222 968279579 /nfs/dbraw/zinc/27/95/79/968279579.db2.gz CJHVNACGBGYOSB-MNOVXSKESA-N 1 0 224.279 1.263 20 10 BDCDRO Cc1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c(O)c1 ZINC001206425004 968297056 /nfs/dbraw/zinc/29/70/56/968297056.db2.gz SXUXEVKKCFWXER-NEPJUHHUSA-N 1 0 238.306 1.572 20 10 BDCDRO CC1(C)C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144500594 972848368 /nfs/dbraw/zinc/84/83/68/972848368.db2.gz WFBRQRBBDRHHAU-UHFFFAOYSA-N 1 0 223.272 1.645 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CC3(CCC3)C2)c(O)c1 ZINC001144504106 972850193 /nfs/dbraw/zinc/85/01/93/972850193.db2.gz LVQJPMZPXMWZLI-UHFFFAOYSA-N 1 0 235.283 1.789 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144520531 972852954 /nfs/dbraw/zinc/85/29/54/972852954.db2.gz TXJAUNNSLQZAJD-MRVPVSSYSA-N 1 0 239.271 1.024 20 10 BDCDRO Oc1cc(O)c(C[NH+]2C3CCC2CC3)c(O)c1 ZINC001144508852 972858981 /nfs/dbraw/zinc/85/89/81/972858981.db2.gz AUBQPMXAOVBGIB-UHFFFAOYSA-N 1 0 235.283 1.930 20 10 BDCDRO [O-]c1c(F)cc(F)cc1C[N@H+]1CCC[C@H]1CO ZINC001331532274 974751374 /nfs/dbraw/zinc/75/13/74/974751374.db2.gz UICNSRJYJCSGPB-JTQLQIEISA-N 1 0 243.253 1.627 20 10 BDCDRO Nc1ccc(N(CCO)c2cc[nH+]cc2)cc1 ZINC001173882421 975932861 /nfs/dbraw/zinc/93/28/61/975932861.db2.gz JLMYDSKDODEIBV-UHFFFAOYSA-N 1 0 229.283 1.794 20 10 BDCDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccc(N)cc2)CCN1C ZINC001334754799 976623729 /nfs/dbraw/zinc/62/37/29/976623729.db2.gz RQPQKKMVWMTCRB-NEPJUHHUSA-N 1 0 233.359 1.793 20 10 BDCDRO COC(=O)[C@H](C)C[N@H+](C)Cc1ccc(N)cc1 ZINC001336286568 977618321 /nfs/dbraw/zinc/61/83/21/977618321.db2.gz SQRDVNMUGCWCBM-SNVBAGLBSA-N 1 0 236.315 1.510 20 10 BDCDRO COc1cc(C[N@H+](C)C(C)C)c(O)cc1O ZINC001231634421 977652208 /nfs/dbraw/zinc/65/22/08/977652208.db2.gz MRRDRXBFXVNXAD-UHFFFAOYSA-N 1 0 225.288 1.947 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001231846776 977763398 /nfs/dbraw/zinc/76/33/98/977763398.db2.gz OWHQYDSJJZQBME-RYUDHWBXSA-N 1 0 233.311 1.982 20 10 BDCDRO COc1cc(N(C)C)ccc1C[NH+](C)C ZINC001231848048 977767275 /nfs/dbraw/zinc/76/72/75/977767275.db2.gz FRIYSTRVVNHQSG-UHFFFAOYSA-N 1 0 208.305 1.823 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CCN(C)CC2)c(O)c1 ZINC001232835151 978307937 /nfs/dbraw/zinc/30/79/37/978307937.db2.gz XQEODNVVIITOBZ-UHFFFAOYSA-N 1 0 249.358 1.206 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233009998 978404399 /nfs/dbraw/zinc/40/43/99/978404399.db2.gz GMNWZCUCUBEHPX-MRVPVSSYSA-N 1 0 223.272 1.645 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@]12C[C@H]1COC2 ZINC001338310234 978657198 /nfs/dbraw/zinc/65/71/98/978657198.db2.gz QFJNLKHEIZMMOK-ZFWWWQNUSA-N 1 0 246.354 1.940 20 10 BDCDRO COc1cccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235039668 978958344 /nfs/dbraw/zinc/95/83/44/978958344.db2.gz XGVPASXURGWWMZ-NWDGAFQWSA-N 1 0 248.326 1.337 20 10 BDCDRO Cc1c(O)ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1O ZINC001235043812 978960487 /nfs/dbraw/zinc/96/04/87/978960487.db2.gz HLLIPWDWSKWDDX-NWDGAFQWSA-N 1 0 248.326 1.342 20 10 BDCDRO Oc1ccc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235043217 978961144 /nfs/dbraw/zinc/96/11/44/978961144.db2.gz CKCXQMASSSDKNT-NWDGAFQWSA-N 1 0 234.299 1.034 20 10 BDCDRO Oc1ccccc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235074280 978968978 /nfs/dbraw/zinc/96/89/78/978968978.db2.gz ZIOOQWFTPXZWDQ-VXGBXAGGSA-N 1 0 218.300 1.328 20 10 BDCDRO COc1cccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235073799 978970081 /nfs/dbraw/zinc/97/00/81/978970081.db2.gz XGVPASXURGWWMZ-VXGBXAGGSA-N 1 0 248.326 1.337 20 10 BDCDRO Nc1ccc(CN2C[C@H]3CCC[NH2+][C@H]3C2)cc1 ZINC001235218729 979001178 /nfs/dbraw/zinc/00/11/78/979001178.db2.gz JUMNJHFEPAIIIC-OCCSQVGLSA-N 1 0 231.343 1.453 20 10 BDCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1c(O)cccc1F ZINC001341012444 979197011 /nfs/dbraw/zinc/19/70/11/979197011.db2.gz YNYMKPZATNJUFP-LLVKDONJSA-N 1 0 240.278 1.131 20 10 BDCDRO COc1cccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235981710 979257159 /nfs/dbraw/zinc/25/71/59/979257159.db2.gz SACUFKFPBQGXAG-RISCZKNCSA-N 1 0 248.326 1.324 20 10 BDCDRO C[C@H]([NH3+])CN1CCCc2cc(O)c(O)cc2C1 ZINC001236100627 979388258 /nfs/dbraw/zinc/38/82/58/979388258.db2.gz LHADXFVAUOANIV-VIFPVBQESA-N 1 0 236.315 1.193 20 10 BDCDRO OCCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001236100059 979389295 /nfs/dbraw/zinc/38/92/95/979389295.db2.gz CCTBGABMXKEGOW-UHFFFAOYSA-N 1 0 237.299 1.228 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@@H](C)N1Cc1ccc(N(C)C)cc1 ZINC001236105333 979395533 /nfs/dbraw/zinc/39/55/33/979395533.db2.gz YNZMZPAHCYDCES-CHWSQXEVSA-N 1 0 247.386 1.935 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2cc(F)c(Cl)cc2O)C1 ZINC001236172282 979429174 /nfs/dbraw/zinc/42/91/74/979429174.db2.gz BXDFSVOPAGVIEV-MRVPVSSYSA-N 1 0 244.697 1.718 20 10 BDCDRO C[N@H+](CCO)Cc1ccc(C(F)(F)F)cc1O ZINC001236255530 979475612 /nfs/dbraw/zinc/47/56/12/979475612.db2.gz GUSMUZJHEBVNPV-UHFFFAOYSA-N 1 0 249.232 1.835 20 10 BDCDRO Cc1ccc(C)c(CN2C[C@@H]3C[NH2+]C[C@H]32)c1O ZINC001236288385 979492407 /nfs/dbraw/zinc/49/24/07/979492407.db2.gz NXBNZWZITGXNQR-WCQYABFASA-N 1 0 232.327 1.413 20 10 BDCDRO Cc1cccc(CN2C[C@H]3C[NH2+]C[C@H]32)c1O ZINC001236288550 979494266 /nfs/dbraw/zinc/49/42/66/979494266.db2.gz IFUNWUOCHNYZHR-VXGBXAGGSA-N 1 0 218.300 1.104 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)cc1 ZINC001342023007 979624782 /nfs/dbraw/zinc/62/47/82/979624782.db2.gz RENKQYITJXDMAT-ZKYQVNSYSA-N 1 0 245.326 1.012 20 10 BDCDRO Cc1cc(C)c(CN(C)C[C@H](C)[NH3+])c(O)c1 ZINC001236900736 979788862 /nfs/dbraw/zinc/78/88/62/979788862.db2.gz XCHALGUSOHLQOZ-NSHDSACASA-N 1 0 222.332 1.788 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1cc(Cl)c(O)cc1O ZINC001236904430 979790951 /nfs/dbraw/zinc/79/09/51/979790951.db2.gz MRJQAJMPELUWJG-ZETCQYMHSA-N 1 0 244.722 1.530 20 10 BDCDRO C[NH2+]CCN(C(=O)Cc1ccc(N)cc1)C(C)C ZINC001342535457 979822909 /nfs/dbraw/zinc/82/29/09/979822909.db2.gz IIEVQJSZXVRCPN-UHFFFAOYSA-N 1 0 249.358 1.268 20 10 BDCDRO Cc1cc(F)cc(CN(C)CC[NH+](C)C)c1O ZINC001238057500 980132582 /nfs/dbraw/zinc/13/25/82/980132582.db2.gz LAPUJUUFIVZGNO-UHFFFAOYSA-N 1 0 240.322 1.833 20 10 BDCDRO Cn1c(C=C2CC[NH2+]CC2)cccc1=O ZINC001240876637 981925677 /nfs/dbraw/zinc/92/56/77/981925677.db2.gz AOYLYUWDBCBLDI-UHFFFAOYSA-N 1 0 204.273 1.152 20 10 BDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)c(O)c1)C2 ZINC001275821213 984666863 /nfs/dbraw/zinc/66/68/63/984666863.db2.gz KFEZQBXARCGXIC-NEPJUHHUSA-N 1 0 248.326 1.234 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC3(CCN3C)C2)c1O ZINC001276113426 984816361 /nfs/dbraw/zinc/81/63/61/984816361.db2.gz QICRSNLODMKTBE-UHFFFAOYSA-N 1 0 248.326 1.296 20 10 BDCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000688042875 985509948 /nfs/dbraw/zinc/50/99/48/985509948.db2.gz JNTYCMZLUBDGFK-RISCZKNCSA-N 1 0 234.343 1.877 20 10 BDCDRO C[C@H](O)CC[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001461956487 986239633 /nfs/dbraw/zinc/23/96/33/986239633.db2.gz RWRSCXNNVZHUCR-QMMMGPOBSA-N 1 0 245.269 1.873 20 10 BDCDRO Nc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1 ZINC001246170973 987530687 /nfs/dbraw/zinc/53/06/87/987530687.db2.gz PLHGRBNVWXYNKG-GFCCVEGCSA-N 1 0 205.305 1.110 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2ccc(O)cc2O)C[NH2+]1 ZINC001246239586 987638426 /nfs/dbraw/zinc/63/84/26/987638426.db2.gz KEMZZSIDPVQTKE-KOLCDFICSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@H]1CC[C@H](NCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246277406 987673564 /nfs/dbraw/zinc/67/35/64/987673564.db2.gz GXLFZOGVAJBGKT-ONGXEEELSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246466938 987825917 /nfs/dbraw/zinc/82/59/17/987825917.db2.gz QVDMIOZEXSRKDE-SMDDNHRTSA-N 1 0 233.359 1.541 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@]12CCOC2 ZINC001118055197 987991735 /nfs/dbraw/zinc/99/17/35/987991735.db2.gz IOUBWKNEIBSWFU-ZDUSSCGKSA-N 1 0 237.274 1.896 20 10 BDCDRO COC(=O)Cc1ccc(C[NH+]2CC(C)C2)c(O)c1 ZINC001249172254 989264785 /nfs/dbraw/zinc/26/47/85/989264785.db2.gz JXKACJFALKLMFF-UHFFFAOYSA-N 1 0 249.310 1.559 20 10 BDCDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC001119743375 989380923 /nfs/dbraw/zinc/38/09/23/989380923.db2.gz JCNLCOZVSQFAFI-SNVBAGLBSA-N 1 0 237.303 1.680 20 10 BDCDRO Nc1ccc(C[N@@H+]2CC[C@](F)(CO)C2)cc1 ZINC001120370956 989637932 /nfs/dbraw/zinc/63/79/32/989637932.db2.gz KZGFZNGIBQTFBG-GFCCVEGCSA-N 1 0 224.279 1.175 20 10 BDCDRO C[NH+](C)[C@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001137831848 990857223 /nfs/dbraw/zinc/85/72/23/990857223.db2.gz PRLLOFGOYOBVQP-JTQLQIEISA-N 1 0 238.306 1.667 20 10 BDCDRO Oc1c(F)cccc1CN1CC[N@@H+]2CC[C@H]2C1 ZINC001138130942 990887327 /nfs/dbraw/zinc/88/73/27/990887327.db2.gz LYYWSJHBSDIOBA-NSHDSACASA-N 1 0 236.290 1.421 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC(=O)N1 ZINC001202897643 991155508 /nfs/dbraw/zinc/15/55/08/991155508.db2.gz AXLGQPOHELPFOH-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@H](O)C1 ZINC001140057238 991511863 /nfs/dbraw/zinc/51/18/63/991511863.db2.gz CYYAJDICLZMSDH-LBPRGKRZSA-N 1 0 239.290 1.878 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CC(CO)C2)c1O ZINC001140182274 991556905 /nfs/dbraw/zinc/55/69/05/991556905.db2.gz NDYUNLXGGUTYQH-UHFFFAOYSA-N 1 0 221.300 1.433 20 10 BDCDRO C[N@H+](Cc1ccncn1)Cc1ccccc1O ZINC001140349507 991622621 /nfs/dbraw/zinc/62/26/21/991622621.db2.gz KUPCLIYYJJVGES-UHFFFAOYSA-N 1 0 229.283 1.814 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001263303816 993213804 /nfs/dbraw/zinc/21/38/04/993213804.db2.gz JQCWRVFKYZSPDT-WCQYABFASA-N 1 0 247.342 1.403 20 10 BDCDRO Cc1cc(C[NH2+]Cc2ccccc2O)n(C)n1 ZINC000228416251 178026276 /nfs/dbraw/zinc/02/62/76/178026276.db2.gz MUZKAALDDUNENK-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO CN(C)c1ccc(CN2CCC[C@H]([NH3+])C2)cc1 ZINC000020215729 342977720 /nfs/dbraw/zinc/97/77/20/342977720.db2.gz PWDDGNYRIOGBQC-ZDUSSCGKSA-N 1 0 233.359 1.676 20 10 BDCDRO CCC[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825885 343409904 /nfs/dbraw/zinc/40/99/04/343409904.db2.gz ADPIDCGBVSPNNC-ZDUSSCGKSA-N 1 0 249.358 1.496 20 10 BDCDRO CC[C@@H](O)CC[NH2+]Cc1ccccc1O ZINC000131702176 344233853 /nfs/dbraw/zinc/23/38/53/344233853.db2.gz MTOUGAIKRSRFFX-LLVKDONJSA-N 1 0 209.289 1.643 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](CO)C2)cc1 ZINC000092762962 345642445 /nfs/dbraw/zinc/64/24/45/345642445.db2.gz MKXNAWXBSGRZGY-ZDUSSCGKSA-N 1 0 234.343 1.567 20 10 BDCDRO Cc1cccc(C[N@H+](CCO)C2CC2)c1O ZINC000132490260 179071059 /nfs/dbraw/zinc/07/10/59/179071059.db2.gz WFJBXDDMYLWAMQ-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(C[N@H+](C)CCOCCO)c1O ZINC000282842034 179066823 /nfs/dbraw/zinc/06/68/23/179066823.db2.gz VTPZGMQYJCTZKI-UHFFFAOYSA-N 1 0 239.315 1.141 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1O ZINC000162807681 179080073 /nfs/dbraw/zinc/08/00/73/179080073.db2.gz XAMAMVMHGJJHTN-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(C[NH2+]C2CCN(C)CC2)c1O ZINC000083361138 179090880 /nfs/dbraw/zinc/09/08/80/179090880.db2.gz HTTMOIVXVHKQSU-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO COc1ccc(C[NH2+]CC(=O)NC2CC2)cc1C ZINC000035257367 187421431 /nfs/dbraw/zinc/42/14/31/187421431.db2.gz BEDMBMONNIPUNA-UHFFFAOYSA-N 1 0 248.326 1.372 20 10 BDCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCc3ccncc32)C1 ZINC000638314166 352139187 /nfs/dbraw/zinc/13/91/87/352139187.db2.gz AEEGXTZCKMMIKJ-LLVKDONJSA-N 1 0 229.283 1.018 20 10 BDCDRO CC(=O)NCCC[NH2+][C@H](C)c1ccccc1O ZINC000179902635 188081134 /nfs/dbraw/zinc/08/11/34/188081134.db2.gz PAGGDQKSZODYFA-SNVBAGLBSA-N 1 0 236.315 1.569 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)C(C)C)c1 ZINC000123905814 188154686 /nfs/dbraw/zinc/15/46/86/188154686.db2.gz AFVPJOOCPKZNFD-CYBMUJFWSA-N 1 0 223.316 1.807 20 10 BDCDRO CC[N@H+](Cc1ccccc1O)[C@@H](C)CO ZINC000293516794 353751839 /nfs/dbraw/zinc/75/18/39/353751839.db2.gz APZYSPPQZJMINS-JTQLQIEISA-N 1 0 209.289 1.595 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1C ZINC000294891967 541418615 /nfs/dbraw/zinc/41/86/15/541418615.db2.gz QWODNWCDUCUQGA-TXEJJXNPSA-N 1 0 221.300 1.617 20 10 BDCDRO OCC1([NH2+]Cc2ccccc2O)CCOCC1 ZINC000227214168 183038357 /nfs/dbraw/zinc/03/83/57/183038357.db2.gz YDGNSURRZHOOSY-UHFFFAOYSA-N 1 0 237.299 1.023 20 10 BDCDRO OCCCC[NH2+]Cc1c(O)cccc1Cl ZINC000236499032 183050694 /nfs/dbraw/zinc/05/06/94/183050694.db2.gz NGSOSTYFRAVDNC-UHFFFAOYSA-N 1 0 229.707 1.908 20 10 BDCDRO OCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000020188123 183059017 /nfs/dbraw/zinc/05/90/17/183059017.db2.gz AIVBSSXSYJBVAC-UHFFFAOYSA-N 1 0 215.680 1.518 20 10 BDCDRO OC[C@@H]1CCCC[N@H+](Cc2ccccc2O)C1 ZINC000378502383 183115971 /nfs/dbraw/zinc/11/59/71/183115971.db2.gz YMCFTSZJVCZBGC-GFCCVEGCSA-N 1 0 235.327 1.987 20 10 BDCDRO OC[C@H]1CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000179912061 183151011 /nfs/dbraw/zinc/15/10/11/183151011.db2.gz XBIMAHYLASNODZ-LLVKDONJSA-N 1 0 225.263 1.488 20 10 BDCDRO OC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000128551555 183153874 /nfs/dbraw/zinc/15/38/74/183153874.db2.gz AHJKDMGXUJONRF-JTQLQIEISA-N 1 0 207.273 1.206 20 10 BDCDRO CCC[N@H+](CC(=O)NC)Cc1ccccc1O ZINC000076074194 169094591 /nfs/dbraw/zinc/09/45/91/169094591.db2.gz LMOJBFYGBSFMTA-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000187674987 183275528 /nfs/dbraw/zinc/27/55/28/183275528.db2.gz YPARGYYZSKQJEB-DGCLKSJQSA-N 1 0 239.290 1.924 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000369677020 183302120 /nfs/dbraw/zinc/30/21/20/183302120.db2.gz UXTNDGUCSCVWOD-AWEZNQCLSA-N 1 0 233.311 1.739 20 10 BDCDRO Oc1ccccc1C[NH2+]C1CCC(O)CC1 ZINC000019918603 183302456 /nfs/dbraw/zinc/30/24/56/183302456.db2.gz OCJYIOTZKSPAQR-UHFFFAOYSA-N 1 0 221.300 1.785 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@]1(O)CCSC1 ZINC000165144923 183303234 /nfs/dbraw/zinc/30/32/34/183303234.db2.gz OGWNJSDIDZPSRQ-GFCCVEGCSA-N 1 0 239.340 1.350 20 10 BDCDRO c1cc(C[NH2+]C[C@H]2CCOC2)cc2c1OCC2 ZINC000037739027 183368526 /nfs/dbraw/zinc/36/85/26/183368526.db2.gz IXAHFTDHBWXIHP-GFCCVEGCSA-N 1 0 233.311 1.748 20 10 BDCDRO CCC[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825887 169390487 /nfs/dbraw/zinc/39/04/87/169390487.db2.gz ADPIDCGBVSPNNC-CYBMUJFWSA-N 1 0 249.358 1.496 20 10 BDCDRO CC[C@@H](CCO)C[NH2+]Cc1ccccc1O ZINC000087362653 383829552 /nfs/dbraw/zinc/82/95/52/383829552.db2.gz WRHXDLQILQVKQL-NSHDSACASA-N 1 0 223.316 1.890 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@H](C)CO ZINC000077421955 384067983 /nfs/dbraw/zinc/06/79/83/384067983.db2.gz JEZVMNNYFZAZIL-NXEZZACHSA-N 1 0 209.289 1.499 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000091545526 384133367 /nfs/dbraw/zinc/13/33/67/384133367.db2.gz AKGMIZGFTKWHHO-ZYHUDNBSSA-N 1 0 248.326 1.478 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000070954896 384143522 /nfs/dbraw/zinc/14/35/22/384143522.db2.gz QOWGNBSCLSWABO-LBPRGKRZSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC(=O)NC(C)C)c1 ZINC000071407080 384165988 /nfs/dbraw/zinc/16/59/88/384165988.db2.gz DYJMYHMROUVGGK-UHFFFAOYSA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C(=O)N(C)C)c1 ZINC000071407091 384166112 /nfs/dbraw/zinc/16/61/12/384166112.db2.gz MDOKMNHAIAELEP-JTQLQIEISA-N 1 0 236.315 1.267 20 10 BDCDRO C[C@H]([NH2+]CCn1ccnc1)c1ccccc1O ZINC000041119232 384177946 /nfs/dbraw/zinc/17/79/46/384177946.db2.gz HZFUMHDAWLPZMN-NSHDSACASA-N 1 0 231.299 1.940 20 10 BDCDRO C[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1O ZINC000132432770 384190764 /nfs/dbraw/zinc/19/07/64/384190764.db2.gz HATLBZPDAXAMOR-UWVGGRQHSA-N 1 0 209.289 1.814 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)CCO)c1ccccc1O ZINC000132433190 384230019 /nfs/dbraw/zinc/23/00/19/384230019.db2.gz HATLBZPDAXAMOR-VHSXEESVSA-N 1 0 209.289 1.814 20 10 BDCDRO C[C@H]([NH2+]CCOCCO)c1cc(F)ccc1O ZINC000094616989 384307768 /nfs/dbraw/zinc/30/77/68/384307768.db2.gz GYJUOJDNJIMMKP-VIFPVBQESA-N 1 0 243.278 1.191 20 10 BDCDRO CC[N@H+](CCOC)Cc1cccc(OC)c1O ZINC000133267554 384282394 /nfs/dbraw/zinc/28/23/94/384282394.db2.gz DGUYDICOXWODME-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]C[C@H](C)O)c(O)c1 ZINC000035601542 384412114 /nfs/dbraw/zinc/41/21/14/384412114.db2.gz YPIMBHDITIXSNT-UWVGGRQHSA-N 1 0 209.289 1.732 20 10 BDCDRO Cn1cncc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000263858256 384501310 /nfs/dbraw/zinc/50/13/10/384501310.db2.gz TXOMAZPNOGGOFS-UHFFFAOYSA-N 1 0 243.310 1.645 20 10 BDCDRO C[C@@H]([NH2+]CCO)c1ccc(N(C)C)cc1 ZINC000037250490 384489874 /nfs/dbraw/zinc/48/98/74/384489874.db2.gz QRESTVSSBZKUFF-SNVBAGLBSA-N 1 0 208.305 1.396 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCCNC2=O)c1 ZINC000050394924 384621746 /nfs/dbraw/zinc/62/17/46/384621746.db2.gz SMJBGLWKCLSXRA-PWSUYJOCSA-N 1 0 248.326 1.630 20 10 BDCDRO CC[C@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000020195337 384593666 /nfs/dbraw/zinc/59/36/66/384593666.db2.gz MBOKSNBRCAFLER-NXEZZACHSA-N 1 0 239.315 1.822 20 10 BDCDRO C[C@@H]([NH2+]Cc1cncn1C)c1ccccc1O ZINC000271722141 384636598 /nfs/dbraw/zinc/63/65/98/384636598.db2.gz YCXITRLCRPMZHO-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)CO)c(O)c1 ZINC000083219200 384751302 /nfs/dbraw/zinc/75/13/02/384751302.db2.gz DMCHHMIEBFEDPQ-GHMZBOCLSA-N 1 0 223.316 1.980 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1O ZINC000084061471 384832488 /nfs/dbraw/zinc/83/24/88/384832488.db2.gz MJMJXDGJRCWKJL-WDEREUQCSA-N 1 0 248.326 1.664 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1)c1ccccc1O ZINC000084061480 384832809 /nfs/dbraw/zinc/83/28/09/384832809.db2.gz MJMJXDGJRCWKJL-GHMZBOCLSA-N 1 0 248.326 1.664 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C2(C)C)c1 ZINC000128112733 384996640 /nfs/dbraw/zinc/99/66/40/384996640.db2.gz FVGLOUWQJLPNTB-STQMWFEESA-N 1 0 235.327 1.950 20 10 BDCDRO CSC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000188058295 385006628 /nfs/dbraw/zinc/00/66/28/385006628.db2.gz PIDAIOCMMSKTKQ-LLVKDONJSA-N 1 0 241.356 1.548 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CC2(CO)CC2)cc1 ZINC000188960851 385108638 /nfs/dbraw/zinc/10/86/38/385108638.db2.gz GIVGNZKPKNVXFE-UHFFFAOYSA-N 1 0 248.370 1.957 20 10 BDCDRO CC[C@@H](C(N)=O)[N@H+](C)Cc1ccccc1O ZINC000109770434 385189948 /nfs/dbraw/zinc/18/99/48/385189948.db2.gz OLBXDVSSQBLNJF-JTQLQIEISA-N 1 0 222.288 1.088 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)CC[NH2+]C1 ZINC000062896292 385196124 /nfs/dbraw/zinc/19/61/24/385196124.db2.gz LDNAYBUZFZROHY-CQSZACIVSA-N 1 0 248.326 1.350 20 10 BDCDRO CC[C@H]([NH2+][C@H](CO)COC)c1ccccc1O ZINC000234035020 385269947 /nfs/dbraw/zinc/26/99/47/385269947.db2.gz KESVOTAXZBYOJP-PWSUYJOCSA-N 1 0 239.315 1.440 20 10 BDCDRO C[C@@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000120127348 385271848 /nfs/dbraw/zinc/27/18/48/385271848.db2.gz RJFVTHSSYYIZLO-GFCCVEGCSA-N 1 0 207.273 1.661 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]C[C@@H](C)OC)c1 ZINC000191146042 385287037 /nfs/dbraw/zinc/28/70/37/385287037.db2.gz GESCZHJNVUUZIG-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO CC(C)[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000179569834 385473653 /nfs/dbraw/zinc/47/36/53/385473653.db2.gz LVEWURSJBJWBFU-ZDUSSCGKSA-N 1 0 248.326 1.349 20 10 BDCDRO CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1O ZINC000179582473 385475407 /nfs/dbraw/zinc/47/54/07/385475407.db2.gz KRJZDHBXPKSMSC-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@@H](CCO)[NH2+]Cc1c(O)cccc1Cl ZINC000096811524 385986506 /nfs/dbraw/zinc/98/65/06/385986506.db2.gz XVGYUIATYKSJEB-QMMMGPOBSA-N 1 0 229.707 1.906 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCC[C@H](C)O)c1 ZINC000227952039 386523718 /nfs/dbraw/zinc/52/37/18/386523718.db2.gz NNIQNFQNPIBZAY-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CC(C)(C)O)cc1 ZINC000269460121 386795248 /nfs/dbraw/zinc/79/52/48/386795248.db2.gz HQLDPDIZYGXIJU-UHFFFAOYSA-N 1 0 236.359 1.955 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1 ZINC000373513715 387377215 /nfs/dbraw/zinc/37/72/15/387377215.db2.gz DAOVGGNPFGABTI-CQSZACIVSA-N 1 0 246.354 1.709 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cnnn2C)cc1 ZINC000135847945 387824475 /nfs/dbraw/zinc/82/44/75/387824475.db2.gz WFJSHVBYUWAUCI-UHFFFAOYSA-N 1 0 245.330 1.171 20 10 BDCDRO CC[C@](C)(CO)[NH2+]Cc1cccc(OC)c1O ZINC000080886477 388003479 /nfs/dbraw/zinc/00/34/79/388003479.db2.gz UUSDUJLDWSGFOG-CYBMUJFWSA-N 1 0 239.315 1.651 20 10 BDCDRO CCN(C)C(=O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296418647 388422840 /nfs/dbraw/zinc/42/28/40/388422840.db2.gz LIHCTINGXZOHQK-NSHDSACASA-N 1 0 248.326 1.447 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1O ZINC000367688258 388566289 /nfs/dbraw/zinc/56/62/89/388566289.db2.gz MKZSKZIGPMVZKI-XYJRDEOASA-N 1 0 233.311 1.935 20 10 BDCDRO C[C@@H](C[S@@](C)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000164490449 397998087 /nfs/dbraw/zinc/99/80/87/397998087.db2.gz LAYSUMWEBRFCOO-PUTJDCORSA-N 1 0 241.356 1.810 20 10 BDCDRO CNC(=O)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC000044990160 409872931 /nfs/dbraw/zinc/87/29/31/409872931.db2.gz DXVUHRQWNDWSMG-UHFFFAOYSA-N 1 0 236.315 1.229 20 10 BDCDRO CC(C)NC(=O)CC[NH2+]Cc1ccccc1O ZINC000134491806 167044873 /nfs/dbraw/zinc/04/48/73/167044873.db2.gz GHXRRNUVKAZAEA-UHFFFAOYSA-N 1 0 236.315 1.397 20 10 BDCDRO CC(C)[C@@H](CCO)[NH2+]Cc1ccccc1O ZINC000164859694 167392842 /nfs/dbraw/zinc/39/28/42/167392842.db2.gz WXQBMMVYGOVYEV-GFCCVEGCSA-N 1 0 223.316 1.889 20 10 BDCDRO CC[NH2+]CCNCc1ccc2c(c1)CCO2 ZINC000161317203 170115514 /nfs/dbraw/zinc/11/55/14/170115514.db2.gz YJGCBQXFBAZFGO-UHFFFAOYSA-N 1 0 220.316 1.321 20 10 BDCDRO CCOCCC[NH2+]Cc1cccc(OC)c1O ZINC000019962929 170381503 /nfs/dbraw/zinc/38/15/03/170381503.db2.gz CLBCMFPVDFIOQH-UHFFFAOYSA-N 1 0 239.315 1.917 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000020194908 170843010 /nfs/dbraw/zinc/84/30/10/170843010.db2.gz PFCWRTFIVYPSDM-ZJUUUORDSA-N 1 0 209.289 1.814 20 10 BDCDRO CC[C@@](C)(CO)[NH2+]Cc1cccc(OC)c1O ZINC000080886476 171171507 /nfs/dbraw/zinc/17/15/07/171171507.db2.gz UUSDUJLDWSGFOG-ZDUSSCGKSA-N 1 0 239.315 1.651 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000096478847 171184011 /nfs/dbraw/zinc/18/40/11/171184011.db2.gz SZXLIDWDOZATJG-CQSZACIVSA-N 1 0 235.327 1.872 20 10 BDCDRO CN1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000116279490 173148307 /nfs/dbraw/zinc/14/83/07/173148307.db2.gz MMVAICGUUJDYGE-NSHDSACASA-N 1 0 234.299 1.055 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCOC2)c1 ZINC000037738331 175159123 /nfs/dbraw/zinc/15/91/23/175159123.db2.gz SIFKFWMOXHDSLH-SNVBAGLBSA-N 1 0 237.299 1.527 20 10 BDCDRO COc1cccc(C[NH2+]CCn2ccnc2)c1O ZINC000041119122 175264457 /nfs/dbraw/zinc/26/44/57/175264457.db2.gz OUCLSMRSSPSATM-UHFFFAOYSA-N 1 0 247.298 1.387 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H](O)C2CC2)c1O ZINC000071299566 175265498 /nfs/dbraw/zinc/26/54/98/175265498.db2.gz LWABOBRPCLWZKV-NSHDSACASA-N 1 0 237.299 1.261 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)[C@H](C)OC)c1O ZINC000289739767 175267963 /nfs/dbraw/zinc/26/79/63/175267963.db2.gz HKNJXTOKHNKFBH-ZJUUUORDSA-N 1 0 239.315 1.914 20 10 BDCDRO C[C@@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037258353 175757046 /nfs/dbraw/zinc/75/70/46/175757046.db2.gz BWVNROJIOMNVKB-QWRGUYRKSA-N 1 0 222.332 1.784 20 10 BDCDRO C[C@H]1COCC[N@H+](Cc2ccccc2O)C1 ZINC000369450279 177288440 /nfs/dbraw/zinc/28/84/40/177288440.db2.gz CJGUVPJQMVVUJQ-LLVKDONJSA-N 1 0 221.300 1.861 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000083551242 491126449 /nfs/dbraw/zinc/12/64/49/491126449.db2.gz YXIPEHFLIILDIW-QMMMGPOBSA-N 1 0 229.707 1.906 20 10 BDCDRO CCOc1cccc(CN[C@@H](C)C[NH2+]C)c1O ZINC000853248083 588729021 /nfs/dbraw/zinc/72/90/21/588729021.db2.gz AKKSPAXJUNPWMU-JTQLQIEISA-N 1 0 238.331 1.488 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1c(O)cccc1OC ZINC000853248715 588729029 /nfs/dbraw/zinc/72/90/29/588729029.db2.gz IVWYSDLXQDSXSR-VIFPVBQESA-N 1 0 224.304 1.098 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000854231699 588781246 /nfs/dbraw/zinc/78/12/46/588781246.db2.gz JYUAWASRADADPQ-DTWKUNHWSA-N 1 0 226.295 1.790 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(F)cc1O ZINC000854231102 588781275 /nfs/dbraw/zinc/78/12/75/588781275.db2.gz DTCFXQOFXRBPGM-IUCAKERBSA-N 1 0 226.295 1.790 20 10 BDCDRO CCOc1cccc(C[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000850417685 582915285 /nfs/dbraw/zinc/91/52/85/582915285.db2.gz HVRJRLIYNBUUSV-XYPYZODXSA-N 1 0 237.299 1.404 20 10 BDCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccccc1O ZINC000892792710 582983610 /nfs/dbraw/zinc/98/36/10/582983610.db2.gz UEXRAYXWEDQQHN-SECBINFHSA-N 1 0 223.272 1.433 20 10 BDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000857068628 588886161 /nfs/dbraw/zinc/88/61/61/588886161.db2.gz CEXZZVYBYRHXCL-CYBMUJFWSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1nnc([C@@H](C)[NH2+]Cc2c(C)cccc2O)[nH]1 ZINC000894778862 583519819 /nfs/dbraw/zinc/51/98/19/583519819.db2.gz TUXGVSCNGXXTAV-SECBINFHSA-N 1 0 246.314 1.978 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C/C=C/CO)c1O ZINC000895249063 583631966 /nfs/dbraw/zinc/63/19/66/583631966.db2.gz ZLPZWTRGRCIKPE-ONEGZZNKSA-N 1 0 237.299 1.347 20 10 BDCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895646591 583699060 /nfs/dbraw/zinc/69/90/60/583699060.db2.gz HKSLTJQFLDIBDL-BXKDBHETSA-N 1 0 239.702 1.612 20 10 BDCDRO CCOc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895647078 583699071 /nfs/dbraw/zinc/69/90/71/583699071.db2.gz JPOAANNJSGQUEF-BXUZGUMPSA-N 1 0 249.310 1.358 20 10 BDCDRO CCN1CC[C@H]1C[NH2+]Cc1c(C)cccc1O ZINC000895671768 583706772 /nfs/dbraw/zinc/70/67/72/583706772.db2.gz OGOJJUUUSWDUIW-LBPRGKRZSA-N 1 0 234.343 1.884 20 10 BDCDRO COC(OC)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000895789309 583727860 /nfs/dbraw/zinc/72/78/60/583727860.db2.gz JKCFTOYSGNIHJE-JTQLQIEISA-N 1 0 239.315 1.798 20 10 BDCDRO CC(=O)OC[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000895852227 583736950 /nfs/dbraw/zinc/73/69/50/583736950.db2.gz RUAOOHHROVOEAM-VHSXEESVSA-N 1 0 237.299 1.994 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCN(C)C1=O)c1ccccc1O ZINC000120856262 583850432 /nfs/dbraw/zinc/85/04/32/583850432.db2.gz AHWDXIFYPVROOO-KOLCDFICSA-N 1 0 234.299 1.274 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000897675611 584035213 /nfs/dbraw/zinc/03/52/13/584035213.db2.gz AUWIAENZJMZSSZ-GWCFXTLKSA-N 1 0 221.300 1.513 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)cc1C ZINC000897683426 584040442 /nfs/dbraw/zinc/04/04/42/584040442.db2.gz DDSRVAHVOJHRFF-FZMZJTMJSA-N 1 0 235.327 1.822 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000897684684 584040478 /nfs/dbraw/zinc/04/04/78/584040478.db2.gz VDMZRTZDZTXBSP-JOYOIKCWSA-N 1 0 237.299 1.213 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897812851 584047260 /nfs/dbraw/zinc/04/72/60/584047260.db2.gz FWLGYAZJOFZINR-KQFRYOBMSA-N 1 0 245.322 1.966 20 10 BDCDRO Cc1ccc(C[NH2+][C@]2(C)CCNC2=O)c(O)c1 ZINC000897866610 584054965 /nfs/dbraw/zinc/05/49/65/584054965.db2.gz DPWDTOPKVLFBKQ-CYBMUJFWSA-N 1 0 234.299 1.069 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2CC(CCO)C2)c1 ZINC000898007726 584070735 /nfs/dbraw/zinc/07/07/35/584070735.db2.gz FQGGNIMBZWKOQQ-UHFFFAOYSA-N 1 0 235.327 1.951 20 10 BDCDRO COc1nn(C)cc1C[NH2+]Cc1ccccc1O ZINC000898028190 584076505 /nfs/dbraw/zinc/07/65/05/584076505.db2.gz IKDZJWKXLUAJNW-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c(O)c1 ZINC000858494651 588960449 /nfs/dbraw/zinc/96/04/49/588960449.db2.gz MBNFLZPEEPBSGG-DCAQKATOSA-N 1 0 248.326 1.615 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCCON)c1 ZINC000902425337 584593940 /nfs/dbraw/zinc/59/39/40/584593940.db2.gz MGXVNHUYUWRIJP-JTQLQIEISA-N 1 0 224.304 1.632 20 10 BDCDRO C[NH2+]C[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877079321 584889882 /nfs/dbraw/zinc/88/98/82/584889882.db2.gz XNUKTTXWEIFNPB-VIFPVBQESA-N 1 0 221.304 1.087 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732229332 584934690 /nfs/dbraw/zinc/93/46/90/584934690.db2.gz RGGGFYMBIOHCPL-ZDUSSCGKSA-N 1 0 239.315 1.651 20 10 BDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000734161533 584959285 /nfs/dbraw/zinc/95/92/85/584959285.db2.gz UFVURZPJAOODSH-CYBMUJFWSA-N 1 0 233.311 1.482 20 10 BDCDRO Cc1cccc(C[NH+]2CC(C)(CO)C2)c1O ZINC000839145567 585092305 /nfs/dbraw/zinc/09/23/05/585092305.db2.gz OGPPGHGTDLBUIN-UHFFFAOYSA-N 1 0 221.300 1.515 20 10 BDCDRO CCOc1ccc(C[N@H+](C)CCOC)c(O)c1 ZINC000768240771 585534319 /nfs/dbraw/zinc/53/43/19/585534319.db2.gz FMHVYTDQEQJSJN-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO CCOc1ccc(C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000768238382 585534523 /nfs/dbraw/zinc/53/45/23/585534523.db2.gz ZCIJCJORUUHJEV-LLVKDONJSA-N 1 0 237.299 1.358 20 10 BDCDRO C[C@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465787 585539020 /nfs/dbraw/zinc/53/90/20/585539020.db2.gz LHKXTFYXLQIWMY-TVQRCGJNSA-N 1 0 249.310 1.802 20 10 BDCDRO C[NH+](C)C1(C(=O)NCc2ccccc2O)CCC1 ZINC000769365032 585554786 /nfs/dbraw/zinc/55/47/86/585554786.db2.gz MODJDNQWQNPKQU-UHFFFAOYSA-N 1 0 248.326 1.493 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)C[C@@H](C)O ZINC000776521272 585700062 /nfs/dbraw/zinc/70/00/62/585700062.db2.gz OLDSYTPAMGMXSQ-SECBINFHSA-N 1 0 225.288 1.213 20 10 BDCDRO CC1(C)CN(Cc2cccc(F)c2O)CC[NH2+]1 ZINC000779003810 585743803 /nfs/dbraw/zinc/74/38/03/585743803.db2.gz QFGDXSMHVVQGSP-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783744652 585841831 /nfs/dbraw/zinc/84/18/31/585841831.db2.gz SXYJTZBFYABHGH-GXTWGEPZSA-N 1 0 233.311 1.515 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C)c1 ZINC000788266910 585920378 /nfs/dbraw/zinc/92/03/78/585920378.db2.gz CXUXWLXMQHACHS-ZYHUDNBSSA-N 1 0 221.300 1.656 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000788270961 585920446 /nfs/dbraw/zinc/92/04/46/585920446.db2.gz XPABBELVVIWMFU-ONGXEEELSA-N 1 0 237.299 1.356 20 10 BDCDRO C[NH+](C)CCCOC(=O)C1=CC(=O)CS1 ZINC000791887355 585990251 /nfs/dbraw/zinc/99/02/51/585990251.db2.gz YXVQTCYNDXDSGY-UHFFFAOYSA-N 1 0 229.301 1.562 20 10 BDCDRO CC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000793820159 586026878 /nfs/dbraw/zinc/02/68/78/586026878.db2.gz KLLDDXKGDQJCTA-ZWNOBZJWSA-N 1 0 249.310 1.802 20 10 BDCDRO CC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000793820155 586026947 /nfs/dbraw/zinc/02/69/47/586026947.db2.gz KLLDDXKGDQJCTA-GXFFZTMASA-N 1 0 249.310 1.802 20 10 BDCDRO CC1C[NH+](Cc2ccc(N3CCOCC3)cc2)C1 ZINC000802650831 586307951 /nfs/dbraw/zinc/30/79/51/586307951.db2.gz BPBNPPAXHKXLQC-UHFFFAOYSA-N 1 0 246.354 1.975 20 10 BDCDRO COc1cccc(O)c1C[N@@H+](C)C[C@H](C)OC ZINC000809717037 586514464 /nfs/dbraw/zinc/51/44/64/586514464.db2.gz CCTXCWNQQDZBCN-JTQLQIEISA-N 1 0 239.315 1.868 20 10 BDCDRO CN1C[C@H]2CC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC000814172865 586615631 /nfs/dbraw/zinc/61/56/31/586615631.db2.gz BXRBGQLEWYADTF-YPMHNXCESA-N 1 0 232.327 1.528 20 10 BDCDRO CC[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1[O-] ZINC000817938645 586844526 /nfs/dbraw/zinc/84/45/26/586844526.db2.gz OVKAEABSQZLWNG-LLVKDONJSA-N 1 0 226.295 1.921 20 10 BDCDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944413 586846380 /nfs/dbraw/zinc/84/63/80/586846380.db2.gz BHAQGXOCSNXNLP-WCQYABFASA-N 1 0 233.359 1.765 20 10 BDCDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945072 586846567 /nfs/dbraw/zinc/84/65/67/586846567.db2.gz SPMLADFWIXWHQA-WCBMZHEXSA-N 1 0 224.279 1.544 20 10 BDCDRO CC[NH2+]CCN[C@H](C)c1cc(F)ccc1O ZINC000817951978 586848185 /nfs/dbraw/zinc/84/81/85/586848185.db2.gz MJQRQAZMDYCTIT-SECBINFHSA-N 1 0 226.295 1.791 20 10 BDCDRO Oc1cccc2c1[C@H](NC[C@H]1CCC[NH2+]1)CC2 ZINC000817953603 586849458 /nfs/dbraw/zinc/84/94/58/586849458.db2.gz OXXXQNLHKJOAEM-VXGBXAGGSA-N 1 0 232.327 1.721 20 10 BDCDRO CC[C@H](NC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817955007 586849563 /nfs/dbraw/zinc/84/95/63/586849563.db2.gz OFRQFHMXEYEABT-AWEZNQCLSA-N 1 0 233.359 1.765 20 10 BDCDRO CC[C@@H](NC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817955008 586849963 /nfs/dbraw/zinc/84/99/63/586849963.db2.gz OFRQFHMXEYEABT-CQSZACIVSA-N 1 0 233.359 1.765 20 10 BDCDRO C[C@@H]1CCNC[C@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817969217 586856755 /nfs/dbraw/zinc/85/67/55/586856755.db2.gz SDFDXCQHKTUGKH-RAIGVLPGSA-N 1 0 246.354 1.967 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CN)c1 ZINC000817970512 586858430 /nfs/dbraw/zinc/85/84/30/586858430.db2.gz YBJFFPQBBAMXQT-VHSXEESVSA-N 1 0 208.305 1.698 20 10 BDCDRO C[C@H](C(=O)N(C)Cc1ccccc1O)[NH+](C)C ZINC000820879404 587079881 /nfs/dbraw/zinc/07/98/81/587079881.db2.gz SBIAMATWGOAYSD-SNVBAGLBSA-N 1 0 236.315 1.301 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CCC(=O)O1 ZINC000821390905 587116141 /nfs/dbraw/zinc/11/61/41/587116141.db2.gz FRVUHOANXWLDGQ-NSHDSACASA-N 1 0 235.283 1.530 20 10 BDCDRO CN1CC[C@@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000824893111 587292118 /nfs/dbraw/zinc/29/21/18/587292118.db2.gz KGKVPNFOPYEGLX-YPMHNXCESA-N 1 0 232.327 1.528 20 10 BDCDRO C[C@@H]1C[NH+](Cc2ccccc2O)C[C@@H](C)C1O ZINC000827151970 587371481 /nfs/dbraw/zinc/37/14/81/587371481.db2.gz OISOFLGMNNNAEE-GHMZBOCLSA-N 1 0 235.327 1.841 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CCC2(COC2)C1 ZINC000827643006 587393792 /nfs/dbraw/zinc/39/37/92/587393792.db2.gz DNQFDSFPTRQEAD-UHFFFAOYSA-N 1 0 249.310 1.623 20 10 BDCDRO C[C@@H](NC(=O)C[NH+]1CCCC1)c1ccccc1O ZINC000827941433 587412178 /nfs/dbraw/zinc/41/21/78/587412178.db2.gz RVPDITFUWKDDIW-LLVKDONJSA-N 1 0 248.326 1.665 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244143 587652260 /nfs/dbraw/zinc/65/22/60/587652260.db2.gz LWHABRWHCIXCKS-GZMMTYOYSA-N 1 0 219.288 1.205 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000832244013 587652274 /nfs/dbraw/zinc/65/22/74/587652274.db2.gz FDZCZZCBFUYEEF-QMMMGPOBSA-N 1 0 229.230 1.190 20 10 BDCDRO C[C@@H]([NH3+])CCC(=O)NCCc1ccc(N)cc1 ZINC000832659029 587674816 /nfs/dbraw/zinc/67/48/16/587674816.db2.gz HUTFZZJRBSLXDL-SNVBAGLBSA-N 1 0 235.331 1.055 20 10 BDCDRO C[C@]1(C[NH3+])CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000834723140 587764874 /nfs/dbraw/zinc/76/48/74/587764874.db2.gz RUXMQUKZXRFNRL-CQSZACIVSA-N 1 0 247.342 1.009 20 10 BDCDRO C[C@H](CCCC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000834786802 587766983 /nfs/dbraw/zinc/76/69/83/587766983.db2.gz SUKGTHHAWPAQGT-LLVKDONJSA-N 1 0 249.358 1.445 20 10 BDCDRO C[C@@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1O ZINC000834907736 587770306 /nfs/dbraw/zinc/77/03/06/587770306.db2.gz AZZKJIDDABMXSU-QMTHXVAHSA-N 1 0 248.326 1.712 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000840910701 587929286 /nfs/dbraw/zinc/92/92/86/587929286.db2.gz QDEGNNSHGQKUJO-VIFPVBQESA-N 1 0 241.718 1.921 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](CO)C1 ZINC000840913556 587929753 /nfs/dbraw/zinc/92/97/53/587929753.db2.gz XSPNLACPAQNEEP-CYBMUJFWSA-N 1 0 248.370 1.875 20 10 BDCDRO Cc1cc(C[NH2+]CCc2ccc(N)cc2)nn1C ZINC000841038180 587937711 /nfs/dbraw/zinc/93/77/11/587937711.db2.gz GVOVVMRJFBNJSF-UHFFFAOYSA-N 1 0 244.342 1.643 20 10 BDCDRO CC[NH2+]CCNCc1cccc(C)c1O ZINC000841035695 587937714 /nfs/dbraw/zinc/93/77/14/587937714.db2.gz JLMYHDNZEKZQPV-UHFFFAOYSA-N 1 0 208.305 1.400 20 10 BDCDRO CCC[NH2+]CCNCc1cccc(C)c1O ZINC000841046350 587939098 /nfs/dbraw/zinc/93/90/98/587939098.db2.gz AWKMWVYHRDIOQT-UHFFFAOYSA-N 1 0 222.332 1.790 20 10 BDCDRO Cc1cccc(CN[C@H]2C[NH2+]CC[C@H]2C)c1O ZINC000841057608 587940530 /nfs/dbraw/zinc/94/05/30/587940530.db2.gz ASTHZKSTMQGGJD-MFKMUULPSA-N 1 0 234.343 1.788 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1ccccc1O ZINC000841066761 587942435 /nfs/dbraw/zinc/94/24/35/587942435.db2.gz VNQQKFZWILFVSD-SNVBAGLBSA-N 1 0 208.305 1.480 20 10 BDCDRO [NH3+]CC[C@@H](NCc1ccccc1O)C(F)F ZINC000841073261 587943866 /nfs/dbraw/zinc/94/38/66/587943866.db2.gz GKVDUJYSDMTNNK-SECBINFHSA-N 1 0 230.258 1.464 20 10 BDCDRO CC(C)[NH2+]CCCNC(=O)Cc1ccc(N)cc1 ZINC000841848043 587977147 /nfs/dbraw/zinc/97/71/47/587977147.db2.gz RQXADTNTDGADAE-UHFFFAOYSA-N 1 0 249.358 1.316 20 10 BDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000841846484 587977189 /nfs/dbraw/zinc/97/71/89/587977189.db2.gz OYXOIHZAAPBHGV-SKDRFNHKSA-N 1 0 233.315 1.595 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000843045796 588075864 /nfs/dbraw/zinc/07/58/64/588075864.db2.gz WKJUASXXOAVTPX-CYBMUJFWSA-N 1 0 234.343 1.803 20 10 BDCDRO COc1cccc(O)c1CN1CCC[NH2+]CC1 ZINC000843047690 588076313 /nfs/dbraw/zinc/07/63/13/588076313.db2.gz VQJIQODKNIXVAU-UHFFFAOYSA-N 1 0 236.315 1.196 20 10 BDCDRO CCOc1ccc(CN(C)CC[NH2+]C)c(O)c1 ZINC000843057717 588078153 /nfs/dbraw/zinc/07/81/53/588078153.db2.gz RVXMEIFOUHMKNF-UHFFFAOYSA-N 1 0 238.331 1.442 20 10 BDCDRO C[C@]1(F)C[NH2+]CCN(Cc2ccccc2O)C1 ZINC000843124403 588083759 /nfs/dbraw/zinc/08/37/59/588083759.db2.gz AEWFUQDWQFXORV-ZDUSSCGKSA-N 1 0 238.306 1.526 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H](C)CCO)c1 ZINC000846110143 588257109 /nfs/dbraw/zinc/25/71/09/588257109.db2.gz HUPXQCVMBYXLTM-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](C)CCO ZINC000846111894 588257170 /nfs/dbraw/zinc/25/71/70/588257170.db2.gz RWSUWEZFHJWZPJ-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)CCO)c1 ZINC000846111440 588257295 /nfs/dbraw/zinc/25/72/95/588257295.db2.gz OZYXHNRNKZCPFQ-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@@H](C)CCO)c1O ZINC000846148456 588258744 /nfs/dbraw/zinc/25/87/44/588258744.db2.gz ZQIAZJMAXXYUFA-VHSXEESVSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]CC[C@H](C)O)c1O ZINC000846147949 588258889 /nfs/dbraw/zinc/25/88/89/588258889.db2.gz WFSPZEKLITUWHP-VHSXEESVSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000846175350 588259356 /nfs/dbraw/zinc/25/93/56/588259356.db2.gz YQOWLHAQYUURLD-FBIMIBRVSA-N 1 0 237.299 1.575 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000848919638 588420637 /nfs/dbraw/zinc/42/06/37/588420637.db2.gz OTLULYHSWDKIPL-TXEJJXNPSA-N 1 0 248.326 1.308 20 10 BDCDRO C[C@H](O)C[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000848929744 588422095 /nfs/dbraw/zinc/42/20/95/588422095.db2.gz ZMILPRWUJUBOCW-VIFPVBQESA-N 1 0 239.290 1.877 20 10 BDCDRO COc1cccc(CNC(=[NH2+])NC(C)C)c1O ZINC000849002923 588431202 /nfs/dbraw/zinc/43/12/02/588431202.db2.gz ZYAWYIKEYAWHCU-UHFFFAOYSA-N 1 0 237.303 1.423 20 10 BDCDRO COc1cccc(CNC(=[NH2+])NC2CCC2)c1O ZINC000849002669 588431323 /nfs/dbraw/zinc/43/13/23/588431323.db2.gz OMXKKZSAHLVRFI-UHFFFAOYSA-N 1 0 249.314 1.567 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=[NH2+])NC1CC1 ZINC000849009154 588434531 /nfs/dbraw/zinc/43/45/31/588434531.db2.gz HMUSRDXQKANJFU-UHFFFAOYSA-N 1 0 246.358 1.837 20 10 BDCDRO CCCNC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849024888 588440159 /nfs/dbraw/zinc/44/01/59/588440159.db2.gz DISJSNCCRJCWRD-UHFFFAOYSA-N 1 0 237.303 1.425 20 10 BDCDRO C[C@@H]1C[NH+]=C(NCc2cc(Cl)ccc2O)N1 ZINC000849050320 588451773 /nfs/dbraw/zinc/45/17/73/588451773.db2.gz ZJKXSLSGLIFXDW-SSDOTTSWSA-N 1 0 239.706 1.483 20 10 BDCDRO Nc1ccc(-n2cc([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000849134864 588453366 /nfs/dbraw/zinc/45/33/66/588453366.db2.gz SSLDJQBLRUBOKL-SNVBAGLBSA-N 1 0 243.314 1.317 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+]C/C=C/CO)cc1 ZINC000850358047 588539121 /nfs/dbraw/zinc/53/91/21/588539121.db2.gz ZYEWQRXIXVAUCJ-VNKDHWASSA-N 1 0 246.354 1.904 20 10 BDCDRO CON(C)CC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000850478984 588550557 /nfs/dbraw/zinc/55/05/57/588550557.db2.gz JGRGCPVILFECPJ-LLVKDONJSA-N 1 0 238.331 1.844 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000850529785 588557691 /nfs/dbraw/zinc/55/76/91/588557691.db2.gz SZFVJTDKMJNOGK-VHSXEESVSA-N 1 0 239.315 1.822 20 10 BDCDRO CC[C@H]([NH2+]C)C(=O)Nc1ccc(N)cc1 ZINC000852790857 588701927 /nfs/dbraw/zinc/70/19/27/588701927.db2.gz UZHZZLGOIDEYLH-JTQLQIEISA-N 1 0 207.277 1.205 20 10 BDCDRO OCC1(C[NH2+]Cc2cc(Cl)ccc2O)CC1 ZINC000118907015 589204542 /nfs/dbraw/zinc/20/45/42/589204542.db2.gz ICYYZLJCDGVNSY-UHFFFAOYSA-N 1 0 241.718 1.908 20 10 BDCDRO CO[C@]1(C[NH2+]Cc2ccccc2O)CCOC1 ZINC000122961308 589645979 /nfs/dbraw/zinc/64/59/79/589645979.db2.gz XSBIVXDZLSJNFO-ZDUSSCGKSA-N 1 0 237.299 1.287 20 10 BDCDRO C[C@@H](NC(=O)CC(C)(C)[NH3+])c1ccccc1O ZINC000870988042 589707233 /nfs/dbraw/zinc/70/72/33/589707233.db2.gz DWZMCIIEZVDCSF-SECBINFHSA-N 1 0 236.315 1.697 20 10 BDCDRO CC[S@@](=O)CC[NH2+]Cc1ccccc1O ZINC000123680378 589765754 /nfs/dbraw/zinc/76/57/54/589765754.db2.gz MINWTAQVDORXTB-HNNXBMFYSA-N 1 0 227.329 1.250 20 10 BDCDRO O=C1OCC[C@H]1CCC[NH2+]Cc1ccccc1O ZINC000873162887 589989378 /nfs/dbraw/zinc/98/93/78/589989378.db2.gz QCVOFCDFENPSGW-LLVKDONJSA-N 1 0 249.310 1.825 20 10 BDCDRO CN(CC12CC(C1)C[NH2+]2)c1ccc2c(c1)OCO2 ZINC000873209815 589995095 /nfs/dbraw/zinc/99/50/95/589995095.db2.gz SHJSQRXHCNLYNS-UHFFFAOYSA-N 1 0 246.310 1.604 20 10 BDCDRO COc1cccc(O)c1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873215991 589998226 /nfs/dbraw/zinc/99/82/26/589998226.db2.gz HQMOZPCEINNFID-PHIMTYICSA-N 1 0 248.326 1.337 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873216083 589998334 /nfs/dbraw/zinc/99/83/34/589998334.db2.gz IJILDRPDYZLUIS-BETUJISGSA-N 1 0 232.327 1.637 20 10 BDCDRO COc1ccc(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873217874 589998771 /nfs/dbraw/zinc/99/87/71/589998771.db2.gz SQBDLUIYFOKPDU-TXEJJXNPSA-N 1 0 248.326 1.337 20 10 BDCDRO Oc1ccccc1CN[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229692 590001685 /nfs/dbraw/zinc/00/16/85/590001685.db2.gz DVJZGEWFALIQDO-UONOGXRCSA-N 1 0 232.327 1.766 20 10 BDCDRO CC[N@H+](CC(=O)NC)Cc1cccc(C)c1O ZINC000124533294 590047592 /nfs/dbraw/zinc/04/75/92/590047592.db2.gz IIJWKWIDTWHOAT-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO CC(=O)N1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876525220 590208246 /nfs/dbraw/zinc/20/82/46/590208246.db2.gz GFBQDFNVGHNFOC-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](C)CC(=O)NC1CC1 ZINC000876549602 590214336 /nfs/dbraw/zinc/21/43/36/590214336.db2.gz SEZHYMVVKIKPPF-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[N@H+]2CCOC[C@@H]2C)c(O)c1 ZINC000876610852 590221611 /nfs/dbraw/zinc/22/16/11/590221611.db2.gz KEDJJIOIGAAZNH-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCCNC(=O)C1 ZINC000876640584 590224987 /nfs/dbraw/zinc/22/49/87/590224987.db2.gz YPBWWMWGRCYKKD-UHFFFAOYSA-N 1 0 234.299 1.023 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1O ZINC000876815176 590245946 /nfs/dbraw/zinc/24/59/46/590245946.db2.gz NMDXWJLVJMEFJM-SMDDNHRTSA-N 1 0 235.327 1.903 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1ccc(C)cc1O ZINC000876915367 590256261 /nfs/dbraw/zinc/25/62/61/590256261.db2.gz QIZBPBHQUBRDSE-CYBMUJFWSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C)C1 ZINC000877019730 590269983 /nfs/dbraw/zinc/26/99/83/590269983.db2.gz QACMBRFMRGQSAU-NSHDSACASA-N 1 0 220.316 1.494 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](CO)C2CC2)c(O)c1 ZINC000877045540 590273848 /nfs/dbraw/zinc/27/38/48/590273848.db2.gz XWRNEMMBAPFGGD-LBPRGKRZSA-N 1 0 221.300 1.561 20 10 BDCDRO CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccc(N)cc1 ZINC000877074887 590278360 /nfs/dbraw/zinc/27/83/60/590278360.db2.gz UZYFLXGYCAGVFK-GXFFZTMASA-N 1 0 247.342 1.749 20 10 BDCDRO CC(C)CC[C@@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877074760 590278390 /nfs/dbraw/zinc/27/83/90/590278390.db2.gz RYSHBTGMJGXSGP-CYBMUJFWSA-N 1 0 249.358 1.995 20 10 BDCDRO CN(C(=O)[C@H]1C[C@H]([NH3+])C1(C)C)c1ccc(N)cc1 ZINC000877076604 590278825 /nfs/dbraw/zinc/27/88/25/590278825.db2.gz OHMSKTCZYITFOM-NEPJUHHUSA-N 1 0 247.342 1.605 20 10 BDCDRO CN(C(=O)CC[C@@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000877077584 590279334 /nfs/dbraw/zinc/27/93/34/590279334.db2.gz NSDLAVHCHQLNGL-LBPRGKRZSA-N 1 0 247.342 1.764 20 10 BDCDRO CN(C(=O)C1([NH3+])CCCCC1)c1ccc(N)cc1 ZINC000877079059 590279681 /nfs/dbraw/zinc/27/96/81/590279681.db2.gz OPVSDCVBNYOKBO-UHFFFAOYSA-N 1 0 247.342 1.893 20 10 BDCDRO Cc1ccc(C[NH2+]C(C)(C)[C@@H](C)O)c(O)c1 ZINC000877126811 590289922 /nfs/dbraw/zinc/28/99/22/590289922.db2.gz TVQUMQGZPJHQNY-SNVBAGLBSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1ccc(C[NH2+]C(C)(C)[C@H](C)O)c(O)c1 ZINC000877126810 590290149 /nfs/dbraw/zinc/29/01/49/590290149.db2.gz TVQUMQGZPJHQNY-JTQLQIEISA-N 1 0 223.316 1.950 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877141572 590291729 /nfs/dbraw/zinc/29/17/29/590291729.db2.gz AGVXUXTVNBZYSM-JTQLQIEISA-N 1 0 236.315 1.315 20 10 BDCDRO CC[NH2+]CC(=O)N[C@H](C)c1ccccc1O ZINC000877256122 590304459 /nfs/dbraw/zinc/30/44/59/590304459.db2.gz NTDJDVQPIQWOBP-SECBINFHSA-N 1 0 222.288 1.179 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[S@@](C)=O ZINC000877310526 590312520 /nfs/dbraw/zinc/31/25/20/590312520.db2.gz NQQGBSLUTOYRMO-QLJPJBMISA-N 1 0 241.356 1.557 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCc1ccn(C)n1 ZINC000877352821 590318653 /nfs/dbraw/zinc/31/86/53/590318653.db2.gz DXMHBKXCGOLNLH-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO CO[C@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000877463452 590332996 /nfs/dbraw/zinc/33/29/96/590332996.db2.gz DHDVNCIYUYZHOM-SNVBAGLBSA-N 1 0 209.289 1.825 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCN3CCC2CC3)c(O)c1 ZINC000877527828 590348854 /nfs/dbraw/zinc/34/88/54/590348854.db2.gz WAQXVXNEJRZHCL-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO COC1(C)C[NH+](Cc2c(C)cccc2O)C1 ZINC000877532291 590349107 /nfs/dbraw/zinc/34/91/07/590349107.db2.gz DNQFBIPPIFKDPY-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@H](C)O ZINC000877567831 590361877 /nfs/dbraw/zinc/36/18/77/590361877.db2.gz BUIQKSBWIALVJN-CMPLNLGQSA-N 1 0 223.316 1.950 20 10 BDCDRO COCC(COC)[NH2+]Cc1ccc(C)cc1O ZINC000877568492 590361889 /nfs/dbraw/zinc/36/18/89/590361889.db2.gz PCQPYQPVUSAPTP-UHFFFAOYSA-N 1 0 239.315 1.452 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c(O)c1 ZINC000877575068 590362873 /nfs/dbraw/zinc/36/28/73/590362873.db2.gz FSSSHXJYLPNBMT-CHWSQXEVSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(C[NH+]2CC(C(C)(C)O)C2)c(O)c1 ZINC000877581098 590365189 /nfs/dbraw/zinc/36/51/89/590365189.db2.gz NLNQBHKGEJFQSH-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[NH+]2CC(CCO)C2)c(O)c1 ZINC000877580965 590365216 /nfs/dbraw/zinc/36/52/16/590365216.db2.gz UEXBZYVIYBWSHF-UHFFFAOYSA-N 1 0 221.300 1.515 20 10 BDCDRO CO[C@@](C)(CO)C[NH2+]Cc1c(C)cccc1O ZINC000877617132 590375059 /nfs/dbraw/zinc/37/50/59/590375059.db2.gz LMEQJFDJIWVQAY-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877647243 590384544 /nfs/dbraw/zinc/38/45/44/590384544.db2.gz UUPRMELGNKLNFT-CYBMUJFWSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2(C)COC2)c1 ZINC000877691782 590393240 /nfs/dbraw/zinc/39/32/40/590393240.db2.gz WOQHDSDOUNFQMX-UHFFFAOYSA-N 1 0 207.273 1.579 20 10 BDCDRO COC[C@H](C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702603 590396130 /nfs/dbraw/zinc/39/61/30/590396130.db2.gz DFKYLZKIRSRUKK-SNVBAGLBSA-N 1 0 221.300 1.990 20 10 BDCDRO Cc1cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)ccc1N(C)C ZINC000880420032 591029273 /nfs/dbraw/zinc/02/92/73/591029273.db2.gz WKOMMNAOMZMVLZ-ZFWWWQNUSA-N 1 0 246.354 1.628 20 10 BDCDRO Cc1cccc(CN2CC[NH2+][C@H](C)C2)c1O ZINC000132481773 591713540 /nfs/dbraw/zinc/71/35/40/591713540.db2.gz QPMAAKRBXZQNEA-LLVKDONJSA-N 1 0 220.316 1.494 20 10 BDCDRO CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)c1ccc(N)cc1 ZINC000884441487 591935128 /nfs/dbraw/zinc/93/51/28/591935128.db2.gz JRBHMVMIAXTFNV-LBPRGKRZSA-N 1 0 247.342 1.477 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H](O)c1ccco1 ZINC000135560003 592017936 /nfs/dbraw/zinc/01/79/36/592017936.db2.gz NTAGSVITIXLRQH-GFCCVEGCSA-N 1 0 233.267 1.808 20 10 BDCDRO CC(=O)NC1CC[NH+](Cc2ccccc2O)CC1 ZINC000135652634 592030381 /nfs/dbraw/zinc/03/03/81/592030381.db2.gz BQEKDOLKVIXTEJ-UHFFFAOYSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@@H](CC[NH3+])[NH2+]Cc1ccc2c(c1)CCO2 ZINC000220517876 592313145 /nfs/dbraw/zinc/31/31/45/592313145.db2.gz RZWYPOSMZMENSZ-JTQLQIEISA-N 1 0 220.316 1.448 20 10 BDCDRO [NH2+]=C(NCc1ccccc1O)NCC(F)F ZINC000887348522 592484806 /nfs/dbraw/zinc/48/48/06/592484806.db2.gz MFTXFBNPHJJKOO-UHFFFAOYSA-N 1 0 229.230 1.271 20 10 BDCDRO CCN(C)c1ccc([C@H](C)[NH2+][C@H]2CNOC2)cc1 ZINC000925871370 635587059 /nfs/dbraw/zinc/58/70/59/635587059.db2.gz USXXFVPXWJNLNP-AAEUAGOBSA-N 1 0 249.358 1.697 20 10 BDCDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000841858083 635876240 /nfs/dbraw/zinc/87/62/40/635876240.db2.gz YKXLSNMNQRSVEK-LBPRGKRZSA-N 1 0 247.342 1.068 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C2(CO)CC2)c1O ZINC000894416094 635896942 /nfs/dbraw/zinc/89/69/42/635896942.db2.gz WBUHNSWTIKTPLG-UHFFFAOYSA-N 1 0 237.299 1.324 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[C@H](C)O)c1 ZINC000164504283 633077466 /nfs/dbraw/zinc/07/74/66/633077466.db2.gz CPTHIUNDRQPSNZ-MNOVXSKESA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)O)c1 ZINC000164504185 633078725 /nfs/dbraw/zinc/07/87/25/633078725.db2.gz CPTHIUNDRQPSNZ-QWRGUYRKSA-N 1 0 223.316 1.950 20 10 BDCDRO CSC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000309911880 634039962 /nfs/dbraw/zinc/03/99/62/634039962.db2.gz NDGZLHOAFJPIJB-NXEZZACHSA-N 1 0 241.356 1.767 20 10 BDCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(N)=O ZINC000310005230 634067537 /nfs/dbraw/zinc/06/75/37/634067537.db2.gz GIZSQSNYJJPFJH-WCBMZHEXSA-N 1 0 222.288 1.307 20 10 BDCDRO CC(C)[N@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000054110171 635389424 /nfs/dbraw/zinc/38/94/24/635389424.db2.gz COFLFXPLERBRHH-UHFFFAOYSA-N 1 0 249.358 1.268 20 10 BDCDRO CC[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000034823056 635823793 /nfs/dbraw/zinc/82/37/93/635823793.db2.gz UVXUVEMRTBVFDL-UHFFFAOYSA-N 1 0 238.306 1.772 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@@H]1CO ZINC000191182621 636702135 /nfs/dbraw/zinc/70/21/35/636702135.db2.gz CYVDFJJFHIDGLN-BXKDBHETSA-N 1 0 239.290 1.734 20 10 BDCDRO CN1CCC([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000083366100 636872937 /nfs/dbraw/zinc/87/29/37/636872937.db2.gz DVKWGADEASJGNA-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO COc1ccc(C[NH2+]CCn2cccn2)cc1C ZINC000042351654 637190493 /nfs/dbraw/zinc/19/04/93/637190493.db2.gz RWMZDOWOXZXSCS-UHFFFAOYSA-N 1 0 245.326 1.990 20 10 BDCDRO C[C@@H]([NH2+]CCCON)c1cc(F)ccc1O ZINC000902426118 637305270 /nfs/dbraw/zinc/30/52/70/637305270.db2.gz QRGDUQKRLVVONB-MRVPVSSYSA-N 1 0 228.267 1.462 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000164230797 637929254 /nfs/dbraw/zinc/92/92/54/637929254.db2.gz BVQONXYUTZRNLI-DGCLKSJQSA-N 1 0 221.300 1.704 20 10 BDCDRO C[NH2+]CCCCC(=O)Nc1ccc(N)cc1 ZINC000911661903 639693953 /nfs/dbraw/zinc/69/39/53/639693953.db2.gz ZQURISVLMBERGN-UHFFFAOYSA-N 1 0 221.304 1.597 20 10 BDCDRO C[NH+](C)CCCC[NH2+]Cc1ccccc1O ZINC000045663078 711488034 /nfs/dbraw/zinc/48/80/34/711488034.db2.gz VJQYXXGHMJZBBM-UHFFFAOYSA-N 1 0 222.332 1.824 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cncnc2)cc1 ZINC000054767128 640406827 /nfs/dbraw/zinc/40/68/27/640406827.db2.gz QVLBDSXPCBPGIC-UHFFFAOYSA-N 1 0 242.326 1.832 20 10 BDCDRO C[C@@H]([NH2+]CC[S@@](C)=O)c1ccccc1O ZINC000163980617 640430186 /nfs/dbraw/zinc/43/01/86/640430186.db2.gz JBMCWKXQRIBUDW-PSLIRLAXSA-N 1 0 227.329 1.421 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCO2)c(O)c1 ZINC000083351376 640682398 /nfs/dbraw/zinc/68/23/98/640682398.db2.gz VWPMPZYUZZIETO-GFCCVEGCSA-N 1 0 221.300 1.969 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000226615803 640779988 /nfs/dbraw/zinc/77/99/88/640779988.db2.gz ZNCOWWBTNQLBHB-WZRBSPASSA-N 1 0 237.274 1.941 20 10 BDCDRO O=C(C[C@@H]1CCC[NH2+]1)NCc1ccccc1O ZINC000228420318 640874090 /nfs/dbraw/zinc/87/40/90/640874090.db2.gz WANQFANORAWMID-NSHDSACASA-N 1 0 234.299 1.151 20 10 BDCDRO CC[C@@]1(C(=O)NCc2ccccc2O)CCC[NH2+]1 ZINC000228420580 640874122 /nfs/dbraw/zinc/87/41/22/640874122.db2.gz LKUIGXQAPNQIRL-AWEZNQCLSA-N 1 0 248.326 1.541 20 10 BDCDRO O=C1C[C@@H]([NH2+]Cc2ccccc2O)CCCN1 ZINC000228415488 640874293 /nfs/dbraw/zinc/87/42/93/640874293.db2.gz CHBZKUSBUJUVSO-NSHDSACASA-N 1 0 234.299 1.151 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000229969011 640999981 /nfs/dbraw/zinc/99/99/81/640999981.db2.gz FLDRMTRCODXQPP-GFCCVEGCSA-N 1 0 223.316 1.864 20 10 BDCDRO Oc1ccccc1C[NH2+]CCn1cccn1 ZINC000042538651 641553144 /nfs/dbraw/zinc/55/31/44/641553144.db2.gz NQGRKRKPHRFAIC-UHFFFAOYSA-N 1 0 217.272 1.379 20 10 BDCDRO C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@H](C)[NH2+]1 ZINC000153355491 641765734 /nfs/dbraw/zinc/76/57/34/641765734.db2.gz YVNZGEKEOVWSKM-PHIMTYICSA-N 1 0 247.342 1.020 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1cccc(OC)c1O ZINC000077453147 641857834 /nfs/dbraw/zinc/85/78/34/641857834.db2.gz DNDUQCFURPDWOQ-LLVKDONJSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)C[C@@H](C)[NH2+]1 ZINC000153355705 641871964 /nfs/dbraw/zinc/87/19/64/641871964.db2.gz YVNZGEKEOVWSKM-GHMZBOCLSA-N 1 0 247.342 1.020 20 10 BDCDRO CC[N@H+](CCC(=O)OC)Cc1ccccc1O ZINC000179562367 642725595 /nfs/dbraw/zinc/72/55/95/642725595.db2.gz YDFFIZMFMOZKHS-UHFFFAOYSA-N 1 0 237.299 1.777 20 10 BDCDRO C[C@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000070075012 642962620 /nfs/dbraw/zinc/96/26/20/642962620.db2.gz DSTUZCGLBSVYMD-STQMWFEESA-N 1 0 247.386 1.935 20 10 BDCDRO C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000082538504 643339660 /nfs/dbraw/zinc/33/96/60/643339660.db2.gz VLVKVLIACPGYNN-SNVBAGLBSA-N 1 0 221.300 1.482 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000083345896 643532396 /nfs/dbraw/zinc/53/23/96/643532396.db2.gz NFDFIWVXUNPMLF-JTQLQIEISA-N 1 0 209.289 1.825 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000083345897 643533248 /nfs/dbraw/zinc/53/32/48/643533248.db2.gz NFDFIWVXUNPMLF-SNVBAGLBSA-N 1 0 209.289 1.825 20 10 BDCDRO C[C@H]([NH2+]Cc1cnc[nH]1)c1ccccc1O ZINC000084080957 643641948 /nfs/dbraw/zinc/64/19/48/643641948.db2.gz IXMBOCDFUKMDMD-VIFPVBQESA-N 1 0 217.272 1.966 20 10 BDCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922130017 643867280 /nfs/dbraw/zinc/86/72/80/643867280.db2.gz WHIHQKWXLIRBRI-WDEREUQCSA-N 1 0 235.327 1.871 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1C ZINC000923006746 644226292 /nfs/dbraw/zinc/22/62/92/644226292.db2.gz DRZBKSSHLHSJHL-JOCQHMNTSA-N 1 0 235.327 1.864 20 10 BDCDRO Cc1cc(CN2CCC[C@H]([NH3+])C2)ccc1N(C)C ZINC000923282872 644317471 /nfs/dbraw/zinc/31/74/71/644317471.db2.gz UYDKTIVCDBGCKN-AWEZNQCLSA-N 1 0 247.386 1.984 20 10 BDCDRO c1cc(CN[C@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000084516339 644426416 /nfs/dbraw/zinc/42/64/16/644426416.db2.gz XHDMOMAWLFUTIR-ZDUSSCGKSA-N 1 0 232.327 1.463 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@H]1O ZINC000249873249 644743543 /nfs/dbraw/zinc/74/35/43/644743543.db2.gz GNGPUJGEVDVCBG-BXKDBHETSA-N 1 0 239.290 1.734 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1O ZINC000250090624 644746999 /nfs/dbraw/zinc/74/69/99/644746999.db2.gz QDTPTECCMUAFOU-WCQYABFASA-N 1 0 235.327 1.903 20 10 BDCDRO CC[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1O ZINC000824637842 645057514 /nfs/dbraw/zinc/05/75/14/645057514.db2.gz ZYVTXMJWVWEXKQ-STQMWFEESA-N 1 0 235.327 1.985 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000827826891 645086144 /nfs/dbraw/zinc/08/61/44/645086144.db2.gz NALOOAHEUMJXII-XYPYZODXSA-N 1 0 207.273 1.314 20 10 BDCDRO CCOC(=O)/C=C\C[N@H+](C)Cc1ccccc1O ZINC000929973197 646381053 /nfs/dbraw/zinc/38/10/53/646381053.db2.gz XZYYQFCNCNMORC-TWGQIWQCSA-N 1 0 249.310 1.943 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925868525 646519880 /nfs/dbraw/zinc/51/98/80/646519880.db2.gz RFBKZLREBVCEEA-GXTWGEPZSA-N 1 0 249.358 1.697 20 10 BDCDRO CCOc1cccc(C[NH2+]C2CSC2)c1O ZINC000701972947 712033885 /nfs/dbraw/zinc/03/38/85/712033885.db2.gz LJZSJZOLNPKWAA-UHFFFAOYSA-N 1 0 239.340 1.996 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+][C@]12C[C@H]1COC2 ZINC000718091399 712742402 /nfs/dbraw/zinc/74/24/02/712742402.db2.gz GVNVWBWUTLLMKC-CABZTGNLSA-N 1 0 239.702 1.924 20 10 BDCDRO Cc1cccc(CN(C)[C@H](C)C[NH3+])c1O ZINC000381714516 710681978 /nfs/dbraw/zinc/68/19/78/710681978.db2.gz KVGCRVPACSWWBR-SNVBAGLBSA-N 1 0 208.305 1.480 20 10 BDCDRO C[C@H](C[NH3+])N(C)Cc1cc(Cl)ccc1O ZINC000383024968 710976516 /nfs/dbraw/zinc/97/65/16/710976516.db2.gz XSLPJHVSAJEUML-MRVPVSSYSA-N 1 0 228.723 1.825 20 10 BDCDRO CCN1C[C@H]([NH2+]Cc2ccccc2O)CC1=O ZINC000391480876 711138464 /nfs/dbraw/zinc/13/84/64/711138464.db2.gz OHPKUMSAWBDMHJ-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C(C)(C)O)c1 ZINC000381255783 710613233 /nfs/dbraw/zinc/61/32/33/710613233.db2.gz QSWYQOMRBVYSGA-JTQLQIEISA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000381363433 710628414 /nfs/dbraw/zinc/62/84/14/710628414.db2.gz GDBBGTQSMXXMKO-GFCCVEGCSA-N 1 0 221.300 1.561 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)O ZINC000393970992 710833615 /nfs/dbraw/zinc/83/36/15/710833615.db2.gz MMSKKTWTIQHLKW-SNVBAGLBSA-N 1 0 235.327 1.871 20 10 BDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C(C)(C)O ZINC000393970990 710833637 /nfs/dbraw/zinc/83/36/37/710833637.db2.gz MMSKKTWTIQHLKW-JTQLQIEISA-N 1 0 235.327 1.871 20 10 BDCDRO O=C1CC[C@@H]([NH2+]Cc2ccccc2O)CCN1 ZINC000396649846 711363360 /nfs/dbraw/zinc/36/33/60/711363360.db2.gz JXCNWVSGSCFTME-LLVKDONJSA-N 1 0 234.299 1.151 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000396726133 711368379 /nfs/dbraw/zinc/36/83/79/711368379.db2.gz YSWDGASQCPBEAK-IUODEOHRSA-N 1 0 247.386 1.983 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCCN(C)C2)cc1 ZINC000040671657 711483271 /nfs/dbraw/zinc/48/32/71/711483271.db2.gz KSWFPOAPRRLWTF-CQSZACIVSA-N 1 0 247.386 1.936 20 10 BDCDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000258852941 711743954 /nfs/dbraw/zinc/74/39/54/711743954.db2.gz GDWPPFCMJOSCGH-UHFFFAOYSA-N 1 0 247.338 1.874 20 10 BDCDRO CC[NH2+][C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000707980632 712174682 /nfs/dbraw/zinc/17/46/82/712174682.db2.gz SMQKFBYBLLUNOH-LLVKDONJSA-N 1 0 249.358 1.367 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000707580697 712175608 /nfs/dbraw/zinc/17/56/08/712175608.db2.gz QYMFAYSGRGDHBL-GSJFWJNXSA-N 1 0 235.327 1.815 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)c1ccccc1O ZINC000707764252 712177626 /nfs/dbraw/zinc/17/76/26/712177626.db2.gz ZUKHDPDGGBZLLL-CMPLNLGQSA-N 1 0 248.326 1.664 20 10 BDCDRO CO[C@H]1C[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000708661448 712196332 /nfs/dbraw/zinc/19/63/32/712196332.db2.gz GISYIOPHOBHVDG-KLPPZKSPSA-N 1 0 221.300 1.907 20 10 BDCDRO [O-]c1c(F)cc(F)cc1C[NH2+]CCF ZINC000708557838 712212854 /nfs/dbraw/zinc/21/28/54/712212854.db2.gz CCGZNIWEISAKQW-UHFFFAOYSA-N 1 0 205.179 1.730 20 10 BDCDRO O[C@@H]1CC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000378741520 712359611 /nfs/dbraw/zinc/35/96/11/712359611.db2.gz PIOHNTBBPWCBAW-VXGBXAGGSA-N 1 0 219.284 1.234 20 10 BDCDRO CC[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000379212071 712371311 /nfs/dbraw/zinc/37/13/11/712371311.db2.gz FJHDJWYREYHCFS-GWCFXTLKSA-N 1 0 249.358 1.667 20 10 BDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000379472685 712385407 /nfs/dbraw/zinc/38/54/07/712385407.db2.gz SYFZBMOIWSHATP-QWHCGFSZSA-N 1 0 247.386 1.935 20 10 BDCDRO Cc1cc(O)c(C[N@@H+](C)[C@H]2CCNC2=O)cc1C ZINC000758398394 712408580 /nfs/dbraw/zinc/40/85/80/712408580.db2.gz NOXJVKPWNVHYHY-LBPRGKRZSA-N 1 0 248.326 1.329 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1CCN1C)c1ccccc1O ZINC000712537137 712442622 /nfs/dbraw/zinc/44/26/22/712442622.db2.gz AMQNDKUIEYUIMF-MNOVXSKESA-N 1 0 220.316 1.747 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1ccccc1O ZINC000712537136 712442877 /nfs/dbraw/zinc/44/28/77/712442877.db2.gz AMQNDKUIEYUIMF-GHMZBOCLSA-N 1 0 220.316 1.747 20 10 BDCDRO COC[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000714449287 712489766 /nfs/dbraw/zinc/48/97/66/712489766.db2.gz NWCCLQIAIYPTPB-KLPPZKSPSA-N 1 0 221.300 1.907 20 10 BDCDRO CCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000036780474 712494710 /nfs/dbraw/zinc/49/47/10/712494710.db2.gz KKCJHKFFJXGGRK-SECBINFHSA-N 1 0 222.288 1.179 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716682307 712569801 /nfs/dbraw/zinc/56/98/01/712569801.db2.gz CAWNTUWIYLQABX-SNVBAGLBSA-N 1 0 231.242 1.498 20 10 BDCDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CCC1 ZINC000717626639 712661662 /nfs/dbraw/zinc/66/16/62/712661662.db2.gz RRLJDKBRVSGPDO-GFCCVEGCSA-N 1 0 239.290 1.782 20 10 BDCDRO C[C@H]([NH2+]C1CC(CC(N)=O)C1)c1ccccc1O ZINC000718474455 712764973 /nfs/dbraw/zinc/76/49/73/712764973.db2.gz CAIDAZUQQNHPRU-WHXUTIOJSA-N 1 0 248.326 1.697 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)CC[NH2+]C1CC1 ZINC000037823801 712768607 /nfs/dbraw/zinc/76/86/07/712768607.db2.gz ZRMITQFJCNEJDZ-UHFFFAOYSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@H]1[C@H]([NH2+]Cc2cc(F)ccc2O)CCN1C ZINC000719621394 712817370 /nfs/dbraw/zinc/81/73/70/712817370.db2.gz ZVVBUEIJJDPUQL-JOYOIKCWSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2C[C@H](O)C2)c1O ZINC000720976132 712884811 /nfs/dbraw/zinc/88/48/11/712884811.db2.gz CYAUKCIUWAERDP-UMSPYCQHSA-N 1 0 221.300 1.561 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1cc(F)c(F)cc1O ZINC001236900756 966615597 /nfs/dbraw/zinc/61/55/97/966615597.db2.gz XREWBYKLTXVHSI-ZETCQYMHSA-N 1 0 230.258 1.449 20 10 BDCDRO COCOCCC[N@H+](C)Cc1ccccc1O ZINC001209032131 969327103 /nfs/dbraw/zinc/32/71/03/969327103.db2.gz NWDFWOAKMFBVCB-UHFFFAOYSA-N 1 0 239.315 1.835 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2ccc(O)c(O)c2)C1 ZINC000405720199 971297925 /nfs/dbraw/zinc/29/79/25/971297925.db2.gz HWKDIKSNRLNDGB-LBPRGKRZSA-N 1 0 222.288 1.021 20 10 BDCDRO C[C@H]1CC[C@@H](OCc2ccc(N)cc2)C[NH2+]1 ZINC001217912675 971512825 /nfs/dbraw/zinc/51/28/25/971512825.db2.gz VGPVMTATZIMNHL-GXFFZTMASA-N 1 0 220.316 1.926 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@H]1Oc1ccc(N)cc1 ZINC001218047273 971587282 /nfs/dbraw/zinc/58/72/82/971587282.db2.gz JTGBIJBBFVHSEK-BXKDBHETSA-N 1 0 206.289 1.646 20 10 BDCDRO Nc1ccc(O[C@@H]2CC[C@]23CC[NH2+]C3)cc1 ZINC001218113890 971602379 /nfs/dbraw/zinc/60/23/79/971602379.db2.gz GVIZGKQOISTKNH-CHWSQXEVSA-N 1 0 218.300 1.790 20 10 BDCDRO O=C(NCc1ccccc1O)C1CC2(C[NH2+]C2)C1 ZINC001219923379 972112745 /nfs/dbraw/zinc/11/27/45/972112745.db2.gz KHJSEIBPSVKBMZ-UHFFFAOYSA-N 1 0 246.310 1.008 20 10 BDCDRO Nc1ccc(NC(=O)CCCC[NH3+])cc1 ZINC000390496749 972207452 /nfs/dbraw/zinc/20/74/52/972207452.db2.gz SGRPKHWIDLFOHV-UHFFFAOYSA-N 1 0 207.277 1.336 20 10 BDCDRO Oc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1O ZINC001246279156 972253312 /nfs/dbraw/zinc/25/33/12/972253312.db2.gz NSRZLSNKHDIIAD-FOSCPWQOSA-N 1 0 248.326 1.470 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724544733 958916044 /nfs/dbraw/zinc/91/60/44/958916044.db2.gz AKSUXCVNOBJTHN-DYEKYZERSA-N 1 0 249.310 1.286 20 10 BDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000693619541 959006363 /nfs/dbraw/zinc/00/63/63/959006363.db2.gz KHCNLKQVVCQZPS-HAQNSBGRSA-N 1 0 247.342 1.106 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@H](F)C2)c1O ZINC000689863346 959534483 /nfs/dbraw/zinc/53/44/83/959534483.db2.gz PNBQRBREEBNTFF-JTQLQIEISA-N 1 0 225.263 1.945 20 10 BDCDRO Nc1ccc(CN2CCC[C@@]3(CCC[NH2+]3)C2)cc1 ZINC001222353749 972442940 /nfs/dbraw/zinc/44/29/40/972442940.db2.gz GOVZEIXTDBWHTH-HNNXBMFYSA-N 1 0 245.370 1.987 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2C[C@]2(C)OC)c1O ZINC000694342811 959834490 /nfs/dbraw/zinc/83/44/90/959834490.db2.gz ZNGCQFCJEBSRDD-YPMHNXCESA-N 1 0 237.299 1.668 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC3(CC(O)C3)C2)c1O ZINC001140742766 960544482 /nfs/dbraw/zinc/54/44/82/960544482.db2.gz YJPSZFBALXAWLB-UHFFFAOYSA-N 1 0 249.310 1.363 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c(O)c1 ZINC001140947745 960742797 /nfs/dbraw/zinc/74/27/97/960742797.db2.gz DBNNZISFPZWESH-YPMHNXCESA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001140948570 960748302 /nfs/dbraw/zinc/74/83/02/960748302.db2.gz OPCBGYBBMXSYTF-UHFFFAOYSA-N 1 0 219.284 1.533 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)c(O)c1 ZINC001140958319 960761316 /nfs/dbraw/zinc/76/13/16/960761316.db2.gz XRVWQZMPSCIIBM-OKILXGFUSA-N 1 0 246.354 1.979 20 10 BDCDRO COc1cc(O)c(C[NH+]2CC(C)C2)c(OC)c1 ZINC001141031480 960821575 /nfs/dbraw/zinc/82/15/75/960821575.db2.gz GQDIQEZJSXSKDJ-UHFFFAOYSA-N 1 0 237.299 1.861 20 10 BDCDRO C[N@@H+](Cc1cc(O)ccc1O)CC1CC1 ZINC001141156009 960890285 /nfs/dbraw/zinc/89/02/85/960890285.db2.gz NZSOKYHMPRMZGD-UHFFFAOYSA-N 1 0 207.273 1.940 20 10 BDCDRO OC[C@@H]1CCCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156350 960892064 /nfs/dbraw/zinc/89/20/64/960892064.db2.gz VCPUHNYENALSTO-NSHDSACASA-N 1 0 237.299 1.445 20 10 BDCDRO COC[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156938 960894649 /nfs/dbraw/zinc/89/46/49/960894649.db2.gz YIAHAXYIQFPFHD-SNVBAGLBSA-N 1 0 237.299 1.566 20 10 BDCDRO CC[C@@H]1COCCN1Cc1cc(O)ccc1O ZINC001141161540 960899733 /nfs/dbraw/zinc/89/97/33/960899733.db2.gz URKBGDKTTFXJKC-LLVKDONJSA-N 1 0 237.299 1.709 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1cc(O)ccc1O ZINC001141162309 960900780 /nfs/dbraw/zinc/90/07/80/960900780.db2.gz OUTACJGJKQBNBV-UHFFFAOYSA-N 1 0 239.271 1.093 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c1 ZINC001141161812 960903063 /nfs/dbraw/zinc/90/30/63/960903063.db2.gz YXBQVBDFAXYOFT-HZMBPMFUSA-N 1 0 249.310 1.709 20 10 BDCDRO CN(Cc1ccon1)Cc1cc(O)ccc1O ZINC001141161787 960905456 /nfs/dbraw/zinc/90/54/56/960905456.db2.gz YFZMIZPNDMGSBL-UHFFFAOYSA-N 1 0 234.255 1.718 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC000092764855 961872725 /nfs/dbraw/zinc/87/27/25/961872725.db2.gz FVMCWXKQEQWDSR-JTQLQIEISA-N 1 0 237.299 1.215 20 10 BDCDRO Cc1cc(Cl)cc(CN2CC(C)([NH3+])C2)c1O ZINC001204993165 963388455 /nfs/dbraw/zinc/38/84/55/963388455.db2.gz DJNLXFFKPZKVHE-UHFFFAOYSA-N 1 0 240.734 1.887 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204789869 963572022 /nfs/dbraw/zinc/57/20/22/963572022.db2.gz DKXBHBMLGVYZRS-CQSZACIVSA-N 1 0 249.358 1.381 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C12CC(C1)C[NH2+]2 ZINC000822184657 963951396 /nfs/dbraw/zinc/95/13/96/963951396.db2.gz FMWZVJHPYBARJM-UHFFFAOYSA-N 1 0 246.310 1.103 20 10 BDCDRO Cc1c[nH+]c(NCc2ccc(O)c(O)c2)cc1N ZINC001158997928 963969163 /nfs/dbraw/zinc/96/91/63/963969163.db2.gz VENCIMYZNFEHNX-UHFFFAOYSA-N 1 0 245.282 1.996 20 10 BDCDRO CC1(C)Oc2ccc(N3CC[C@H]([NH3+])C3)cc2O1 ZINC001164286528 965832136 /nfs/dbraw/zinc/83/21/36/965832136.db2.gz RHGKKLPJWILOCR-VIFPVBQESA-N 1 0 234.299 1.731 20 10 BDCDRO COc1cccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235165419 966015765 /nfs/dbraw/zinc/01/57/65/966015765.db2.gz JIWFEIKNNJSVFJ-SMDDNHRTSA-N 1 0 248.326 1.324 20 10 BDCDRO CC(C)[C@@H]1CN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001235475632 966071038 /nfs/dbraw/zinc/07/10/38/966071038.db2.gz VYYSKNZIQNXJLJ-AWEZNQCLSA-N 1 0 233.359 1.699 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H]3CC[C@]3([NH3+])C2)c1 ZINC001235997618 966220622 /nfs/dbraw/zinc/22/06/22/966220622.db2.gz WNXFZBNAQDGVKN-JSGCOSHPSA-N 1 0 232.327 1.624 20 10 BDCDRO CN(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)cc1 ZINC001236283419 966331490 /nfs/dbraw/zinc/33/14/90/966331490.db2.gz GXCQIWQEZXWQEI-GXTWGEPZSA-N 1 0 231.343 1.156 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001203550180 966670487 /nfs/dbraw/zinc/67/04/87/966670487.db2.gz KKYUKIYQHCOWJI-ZYHUDNBSSA-N 1 0 225.263 1.297 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCC[C@H]1O ZINC001203550509 966684885 /nfs/dbraw/zinc/68/48/85/966684885.db2.gz WPMMWANXWFXZHM-WCQYABFASA-N 1 0 235.327 1.985 20 10 BDCDRO Oc1ccccc1C[N@H+]1CCc2nccn2CC1 ZINC001203558484 966687494 /nfs/dbraw/zinc/68/74/94/966687494.db2.gz JQXDQFBDJLTMPF-UHFFFAOYSA-N 1 0 243.310 1.647 20 10 BDCDRO CC[N@H+](Cc1cccc(OC)c1O)C1COC1 ZINC001203597132 966702334 /nfs/dbraw/zinc/70/23/34/966702334.db2.gz WFIMYMWPNMPCST-UHFFFAOYSA-N 1 0 237.299 1.622 20 10 BDCDRO COc1ccc(O)c(CN2C[C@H]3CC[C@@H]2CO3)c1 ZINC001203684034 966738865 /nfs/dbraw/zinc/73/88/65/966738865.db2.gz KAZXVMQRWIKCPN-DGCLKSJQSA-N 1 0 249.310 1.764 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC3(COC3)C2)cc1O ZINC001203875386 966805710 /nfs/dbraw/zinc/80/57/10/966805710.db2.gz NFUYWQMAYSUQLA-UHFFFAOYSA-N 1 0 235.283 1.320 20 10 BDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875320 966805963 /nfs/dbraw/zinc/80/59/63/966805963.db2.gz LJFXJFDUBLBNAM-ONGXEEELSA-N 1 0 237.299 1.443 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)cc1O ZINC001203880555 966808045 /nfs/dbraw/zinc/80/80/45/966808045.db2.gz VLUQTLYETIABGL-FZMZJTMJSA-N 1 0 249.310 1.709 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(O)c(O)c2)CC[N@@H+]1C ZINC001203882586 966810423 /nfs/dbraw/zinc/81/04/23/966810423.db2.gz MZHFDOUWIIEWAN-SNVBAGLBSA-N 1 0 236.315 1.234 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC(C3COC3)C2)cc1 ZINC001203930277 966825731 /nfs/dbraw/zinc/82/57/31/966825731.db2.gz QTJZHRYONFECOO-UHFFFAOYSA-N 1 0 246.354 1.831 20 10 BDCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCCO2)C1CC1 ZINC000921742622 967240975 /nfs/dbraw/zinc/24/09/75/967240975.db2.gz XAZQAGMDSKFWPT-CQSZACIVSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccc(CC[NH2+][C@@H]2CCSC2)cc1O ZINC001255270055 970018376 /nfs/dbraw/zinc/01/83/76/970018376.db2.gz UQAXUGYUAIQIHK-SNVBAGLBSA-N 1 0 239.340 1.735 20 10 BDCDRO CN1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001255444705 970179003 /nfs/dbraw/zinc/17/90/03/970179003.db2.gz OKJLJMKTACRNML-LBPRGKRZSA-N 1 0 232.327 1.454 20 10 BDCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@H]1CCOC1 ZINC000400561278 970604152 /nfs/dbraw/zinc/60/41/52/970604152.db2.gz LXBLWIQNHXUXIY-CYBMUJFWSA-N 1 0 246.354 1.934 20 10 BDCDRO C[C@H](C[NH3+])NCc1ccc(N2CCCC2)cc1 ZINC001328681927 973265850 /nfs/dbraw/zinc/26/58/50/973265850.db2.gz PDHDDKJFVADPIF-GFCCVEGCSA-N 1 0 233.359 1.724 20 10 BDCDRO COc1ccc(N2C[C@@H]3[C@H](C2)OCC[N@@H+]3C)cc1 ZINC001276925242 973303770 /nfs/dbraw/zinc/30/37/70/973303770.db2.gz YIQXKTAKMJFCLW-KGLIPLIRSA-N 1 0 248.326 1.214 20 10 BDCDRO CC[C@@]1(C(=O)N(C)c2ccc(N)cc2)CC[NH2+]C1 ZINC001330625538 974368614 /nfs/dbraw/zinc/36/86/14/974368614.db2.gz ONUIDWMSPZTDOW-CQSZACIVSA-N 1 0 247.342 1.621 20 10 BDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+][C@@H]1CNOC1 ZINC001332880545 975307885 /nfs/dbraw/zinc/30/78/85/975307885.db2.gz WWBASPXVIQSLDM-HBNTYKKESA-N 1 0 248.326 1.742 20 10 BDCDRO Nc1cccc(Nc2cc[nH+]cc2)c1O ZINC001173885071 975979568 /nfs/dbraw/zinc/97/95/68/975979568.db2.gz HKELNVYQFOAPEZ-UHFFFAOYSA-N 1 0 201.229 1.535 20 10 BDCDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc(N)cc1 ZINC001335288434 976929769 /nfs/dbraw/zinc/92/97/69/976929769.db2.gz FVNJPZYTAHVBET-LBPRGKRZSA-N 1 0 219.332 1.499 20 10 BDCDRO Nc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001335290102 976934889 /nfs/dbraw/zinc/93/48/89/976934889.db2.gz SAZIENZRQDLSTO-YPMHNXCESA-N 1 0 217.316 1.063 20 10 BDCDRO Nc1ccc(CN[C@H](CC[NH3+])C(F)F)cc1 ZINC001336284776 977615908 /nfs/dbraw/zinc/61/59/08/977615908.db2.gz CSISPTQEWZPZAP-SNVBAGLBSA-N 1 0 229.274 1.341 20 10 BDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(N)cc1 ZINC001336286567 977619056 /nfs/dbraw/zinc/61/90/56/977619056.db2.gz SQRDVNMUGCWCBM-JTQLQIEISA-N 1 0 236.315 1.510 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCN3CC[C@@H]3C2)c1O ZINC001231594783 977640918 /nfs/dbraw/zinc/64/09/18/977640918.db2.gz KICLWUMAINWDFY-CYBMUJFWSA-N 1 0 232.327 1.591 20 10 BDCDRO CNC(=O)C[N@H+](C)Cc1c(C)cc(C)cc1O ZINC001231841368 977753054 /nfs/dbraw/zinc/75/30/54/977753054.db2.gz APWUNCIXYBOQOS-UHFFFAOYSA-N 1 0 236.315 1.187 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC001231843023 977759712 /nfs/dbraw/zinc/75/97/12/977759712.db2.gz SJWZPKVHRHMREX-AWEZNQCLSA-N 1 0 235.327 1.966 20 10 BDCDRO COc1cc(N(C)C)ccc1C[NH+]1CCC1 ZINC001231849759 977768823 /nfs/dbraw/zinc/76/88/23/977768823.db2.gz YPMIXXLLJJCDTM-UHFFFAOYSA-N 1 0 220.316 1.967 20 10 BDCDRO Oc1cc(O)c(C[N@H+]2CC[C@@H](O)C2)cc1Cl ZINC001232261244 977985132 /nfs/dbraw/zinc/98/51/32/977985132.db2.gz XSNZWQQEJYHMLE-MRVPVSSYSA-N 1 0 243.690 1.318 20 10 BDCDRO CC(=O)C[N@@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232834057 978307364 /nfs/dbraw/zinc/30/73/64/978307364.db2.gz FRSZXWHJVDMUIH-UHFFFAOYSA-N 1 0 236.315 1.479 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482973 978610985 /nfs/dbraw/zinc/61/09/85/978610985.db2.gz JIMNSNAPPFBOGG-VIFPVBQESA-N 1 0 239.271 1.024 20 10 BDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2c(O)cccc2F)C1 ZINC001206414995 978856687 /nfs/dbraw/zinc/85/66/87/978856687.db2.gz SWTWEFLENPIPQN-BDAKNGLRSA-N 1 0 242.269 1.402 20 10 BDCDRO C[C@H]1C[NH+](Cc2ccc(O)cc2O)C[C@H](C)O1 ZINC001204272063 978896365 /nfs/dbraw/zinc/89/63/65/978896365.db2.gz JBPYCJZCPNLTFH-UWVGGRQHSA-N 1 0 237.299 1.707 20 10 BDCDRO C[C@@H](C(=O)NCc1ccccc1O)[NH+]1CCCC1 ZINC001180584937 978916340 /nfs/dbraw/zinc/91/63/40/978916340.db2.gz MPGXGQCJBNJIBB-NSHDSACASA-N 1 0 248.326 1.493 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H](F)C[C@H]([NH3+])C2)c1 ZINC001206425156 978921780 /nfs/dbraw/zinc/92/17/80/978921780.db2.gz UYGIFYFXSJLBGH-NEPJUHHUSA-N 1 0 238.306 1.572 20 10 BDCDRO Nc1ccc(CN2C[C@H]([NH3+])C[C@H](F)C2)cc1 ZINC001206445226 979022106 /nfs/dbraw/zinc/02/21/06/979022106.db2.gz NVMOLSQXNYWQJD-CMPLNLGQSA-N 1 0 223.295 1.140 20 10 BDCDRO CN(C(=O)C[C@H]([NH3+])C(C)(C)C)c1ccc(N)cc1 ZINC001340845915 979127167 /nfs/dbraw/zinc/12/71/67/979127167.db2.gz AZDOZAVCNRYUGI-LBPRGKRZSA-N 1 0 249.358 1.995 20 10 BDCDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(F)c(F)c1[O-] ZINC001181796029 979310592 /nfs/dbraw/zinc/31/05/92/979310592.db2.gz GVEKZHUNZSNSAJ-XVKPBYJWSA-N 1 0 243.253 1.626 20 10 BDCDRO Cc1cc(C)c(CN2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236030090 979328808 /nfs/dbraw/zinc/32/88/08/979328808.db2.gz PQFDMEHZXZAXHH-FZMZJTMJSA-N 1 0 232.327 1.542 20 10 BDCDRO CCN(Cc1ccccc1O)C[C@H](C)[NH3+] ZINC001236043918 979333193 /nfs/dbraw/zinc/33/31/93/979333193.db2.gz GFBLUFBMFLSWAK-JTQLQIEISA-N 1 0 208.305 1.561 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2c(O)ccc(F)c2F)C1 ZINC001236171342 979425755 /nfs/dbraw/zinc/42/57/55/979425755.db2.gz APIGDYWSLVJWIV-SSDOTTSWSA-N 1 0 228.242 1.203 20 10 BDCDRO Cc1cc(C)c(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236288508 979493209 /nfs/dbraw/zinc/49/32/09/979493209.db2.gz IDTBWVWSNYCHGN-WCQYABFASA-N 1 0 232.327 1.413 20 10 BDCDRO Cc1cc(C)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236288502 979493213 /nfs/dbraw/zinc/49/32/13/979493213.db2.gz IDTBWVWSNYCHGN-AAEUAGOBSA-N 1 0 232.327 1.413 20 10 BDCDRO Cc1ccc(C)c(CN2C[C@H]3C[NH2+]C[C@@H]32)c1O ZINC001236288387 979493471 /nfs/dbraw/zinc/49/34/71/979493471.db2.gz NXBNZWZITGXNQR-YPMHNXCESA-N 1 0 232.327 1.413 20 10 BDCDRO C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604260748 979602644 /nfs/dbraw/zinc/60/26/44/979602644.db2.gz YRZSNSJWUZYLEF-HTQZYQBOSA-N 1 0 238.287 1.088 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1cccc(F)c1O ZINC001236864812 979770655 /nfs/dbraw/zinc/77/06/55/979770655.db2.gz FIWUIRXMIIFPOX-JTQLQIEISA-N 1 0 226.295 1.700 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2CC[C@H]2C1 ZINC001237495260 979910842 /nfs/dbraw/zinc/91/08/42/979910842.db2.gz NYGNFXJJOMISHL-LBPRGKRZSA-N 1 0 232.327 1.591 20 10 BDCDRO CC[N@H+](Cc1c(C)cccc1O)C1CN(C)C1 ZINC001237496235 979920720 /nfs/dbraw/zinc/92/07/20/979920720.db2.gz XJIYZGCZBNYIFP-UHFFFAOYSA-N 1 0 234.343 1.837 20 10 BDCDRO COCC1C[NH+](Cc2cc(F)cc(C)c2O)C1 ZINC001238057785 980134577 /nfs/dbraw/zinc/13/45/77/980134577.db2.gz NCXLXGATFFKAOC-UHFFFAOYSA-N 1 0 239.290 1.918 20 10 BDCDRO Nc1ccc(CNCC2([NH3+])CCC2)cc1 ZINC001345160330 980569614 /nfs/dbraw/zinc/56/96/14/980569614.db2.gz UKTLQGGYSIIOGI-UHFFFAOYSA-N 1 0 205.305 1.240 20 10 BDCDRO C[C@@H]([NH2+]CCOCCCO)c1ccccc1O ZINC001345427234 980610530 /nfs/dbraw/zinc/61/05/30/980610530.db2.gz NTPCJFHAKJYVBK-LLVKDONJSA-N 1 0 239.315 1.442 20 10 BDCDRO CC(C)Cn1ccc(C2=CCC[NH2+]C2)cc1=O ZINC001240671030 981582510 /nfs/dbraw/zinc/58/25/10/981582510.db2.gz QFURPIBOEJSYNP-UHFFFAOYSA-N 1 0 232.327 1.881 20 10 BDCDRO C[C@H](NC(=O)[C@H]([NH3+])CC1CC1)c1ccccc1O ZINC001349817160 981760752 /nfs/dbraw/zinc/76/07/52/981760752.db2.gz HBKNGZQKVSEMIW-JOYOIKCWSA-N 1 0 248.326 1.697 20 10 BDCDRO C[C@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccccc1O ZINC001349817157 981764793 /nfs/dbraw/zinc/76/47/93/981764793.db2.gz HBKNGZQKVSEMIW-CABZTGNLSA-N 1 0 248.326 1.697 20 10 BDCDRO Cn1ccc(-c2cnc3c(c2)C[NH2+]CC3)cc1=O ZINC001240989264 982074290 /nfs/dbraw/zinc/07/42/90/982074290.db2.gz VUAJBDNXTSRYNX-UHFFFAOYSA-N 1 0 241.294 1.093 20 10 BDCDRO C[C@@]1(CO)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874524 982553073 /nfs/dbraw/zinc/55/30/73/982553073.db2.gz ADFHCLCCQQTOBB-CYBMUJFWSA-N 1 0 237.299 1.302 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@@H+](C)[C@H](C)CO ZINC000840949271 982631103 /nfs/dbraw/zinc/63/11/03/982631103.db2.gz SUXLPNRMWANOHB-GFCCVEGCSA-N 1 0 236.359 1.874 20 10 BDCDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001356237803 983590952 /nfs/dbraw/zinc/59/09/52/983590952.db2.gz AXPQFUIMNSBWCN-GXFFZTMASA-N 1 0 249.358 1.649 20 10 BDCDRO OC/C=C/C[NH2+]Cc1cc(F)ccc1O ZINC000717524647 984211668 /nfs/dbraw/zinc/21/16/68/984211668.db2.gz HGYJGYREWRPNIP-OWOJBTEDSA-N 1 0 211.236 1.169 20 10 BDCDRO Nc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000718161738 984397166 /nfs/dbraw/zinc/39/71/66/984397166.db2.gz MDBVSCFAHUSVDT-TXEJJXNPSA-N 1 0 218.300 1.347 20 10 BDCDRO Oc1c(CNC[C@H]2CC[NH2+]2)ccc2ccccc21 ZINC001580885482 984615219 /nfs/dbraw/zinc/61/52/19/984615219.db2.gz ABRKXWJDEHOUEK-CYBMUJFWSA-N 1 0 242.322 1.997 20 10 BDCDRO Oc1ccccc1C[NH2+]CC1=CCOCC1 ZINC000397808249 986470454 /nfs/dbraw/zinc/47/04/54/986470454.db2.gz HUUHYYHALOZBNR-UHFFFAOYSA-N 1 0 219.284 1.829 20 10 BDCDRO C[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1(CO)CC1 ZINC000696129929 987337161 /nfs/dbraw/zinc/33/71/61/987337161.db2.gz FBYWMHJSCSOUPP-NSHDSACASA-N 1 0 247.338 1.872 20 10 BDCDRO C[C@@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246466936 987825229 /nfs/dbraw/zinc/82/52/29/987825229.db2.gz QVDMIOZEXSRKDE-RISCZKNCSA-N 1 0 233.359 1.541 20 10 BDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001524009764 989965282 /nfs/dbraw/zinc/96/52/82/989965282.db2.gz VPHOAAYPBXYNAP-GXFFZTMASA-N 1 0 247.342 1.273 20 10 BDCDRO CC(C)([NH3+])CCC(=O)NCc1ccc(N)cc1 ZINC001122445375 990386823 /nfs/dbraw/zinc/38/68/23/990386823.db2.gz QHESTAFMXQEEDI-UHFFFAOYSA-N 1 0 235.331 1.403 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC001140178578 991553533 /nfs/dbraw/zinc/55/35/33/991553533.db2.gz PIOVVRHOQNMAKQ-LBPRGKRZSA-N 1 0 235.327 1.966 20 10 BDCDRO CC(C)(C)[C@H](CO)[NH2+]Cc1ccc(N)cc1 ZINC001262487962 992893188 /nfs/dbraw/zinc/89/31/88/992893188.db2.gz LIGJYUQLFQAKGW-LBPRGKRZSA-N 1 0 222.332 1.765 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])c1ccccc1O ZINC001263175707 993149734 /nfs/dbraw/zinc/14/97/34/993149734.db2.gz JXQCBLVPAYOQGU-IQJOONFLSA-N 1 0 234.299 1.164 20 10 BDCDRO CC1(NCc2ccc3c(c2)CCCO3)C[NH2+]C1 ZINC001576545312 993338674 /nfs/dbraw/zinc/33/86/74/993338674.db2.gz JBPRMOQEGJURKK-UHFFFAOYSA-N 1 0 232.327 1.463 20 10 BDCDRO Cc1cc(C[N@@H+]2CC[C@H](CO)C2)ccc1N(C)C ZINC000292711675 178002998 /nfs/dbraw/zinc/00/29/98/178002998.db2.gz BFOPJAYGVQXBON-AWEZNQCLSA-N 1 0 248.370 1.875 20 10 BDCDRO C[C@H](CCO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297575980 398208911 /nfs/dbraw/zinc/20/89/11/398208911.db2.gz GVUVOWXNRPCUOL-KOLCDFICSA-N 1 0 221.300 1.740 20 10 BDCDRO Cc1cc(O)c(CN2CCNC(=O)[C@@H]2C)cc1C ZINC000123439667 178194667 /nfs/dbraw/zinc/19/46/67/178194667.db2.gz MZOLEOIKMNEBCH-NSHDSACASA-N 1 0 248.326 1.329 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)C2CC2)cc1C ZINC000266219713 178197634 /nfs/dbraw/zinc/19/76/34/178197634.db2.gz RAFWXPXSAIFYQC-AWEZNQCLSA-N 1 0 235.327 1.870 20 10 BDCDRO CCN(CC)c1ccc(CNC(=O)[C@H](C)[NH3+])cc1 ZINC000083381515 398280700 /nfs/dbraw/zinc/28/07/00/398280700.db2.gz SKIKPTIAJPBJAW-NSHDSACASA-N 1 0 249.358 1.496 20 10 BDCDRO COc1ccc(C[NH2+]C[C@H](C)O)cc1C ZINC000035052333 342882305 /nfs/dbraw/zinc/88/23/05/342882305.db2.gz SXZXRHPWASCLLV-JTQLQIEISA-N 1 0 209.289 1.474 20 10 BDCDRO CC[NH+](CC)CCNC(=O)Cc1ccc(N)cc1 ZINC000022221281 343140258 /nfs/dbraw/zinc/14/02/58/343140258.db2.gz OFXMPBCARSOIMJ-UHFFFAOYSA-N 1 0 249.358 1.269 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC(=O)NC2CC2)cc1 ZINC000035142460 343286899 /nfs/dbraw/zinc/28/68/99/343286899.db2.gz LXLAUAFRYJSLQZ-UHFFFAOYSA-N 1 0 247.342 1.121 20 10 BDCDRO C[NH+]1CCC(NC(=O)Cc2ccc(N)cc2)CC1 ZINC000037266936 343342037 /nfs/dbraw/zinc/34/20/37/343342037.db2.gz FVASHSXKCDWULU-UHFFFAOYSA-N 1 0 247.342 1.022 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@]1(O)CCOC1)CC2 ZINC000297092000 136376059 /nfs/dbraw/zinc/37/60/59/136376059.db2.gz XHHOBYKQPULUJF-FZMZJTMJSA-N 1 0 249.310 1.121 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)c1O ZINC000377852922 179079930 /nfs/dbraw/zinc/07/99/30/179079930.db2.gz VFWZSFRQOOQXJM-NSHDSACASA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCCCNC2=O)c1O ZINC000124696607 179097484 /nfs/dbraw/zinc/09/74/84/179097484.db2.gz BKMNULVYKJKWOA-GFCCVEGCSA-N 1 0 248.326 1.459 20 10 BDCDRO [NH3+][C@H]1CC=C(C(=O)N2CCOc3ccccc32)C1 ZINC000637931668 351808446 /nfs/dbraw/zinc/80/84/46/351808446.db2.gz FTQHPPKYDMMVGQ-NSHDSACASA-N 1 0 244.294 1.460 20 10 BDCDRO Cc1ccc2c(c1)N(C(=O)C1=CC[C@H]([NH3+])C1)CC2 ZINC000637965235 351839054 /nfs/dbraw/zinc/83/90/54/351839054.db2.gz RCBDYRMOKCCMCO-ZDUSSCGKSA-N 1 0 242.322 1.932 20 10 BDCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1cccnc1 ZINC000638117494 351993240 /nfs/dbraw/zinc/99/32/40/351993240.db2.gz RLELBOSNVBSUEU-JTQLQIEISA-N 1 0 217.272 1.092 20 10 BDCDRO CC(C)(O)CC[NH2+]Cc1cc(F)ccc1O ZINC000274923139 188093815 /nfs/dbraw/zinc/09/38/15/188093815.db2.gz MRKZADDCWHYADK-UHFFFAOYSA-N 1 0 227.279 1.782 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000274859948 364757754 /nfs/dbraw/zinc/75/77/54/364757754.db2.gz CQOUTCQKYXWLAW-CMPLNLGQSA-N 1 0 248.326 1.664 20 10 BDCDRO OCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362898 183058268 /nfs/dbraw/zinc/05/82/68/183058268.db2.gz DDKPUGYUTXHMST-UHFFFAOYSA-N 1 0 207.273 1.094 20 10 BDCDRO OC[C@]1(F)CCC[N@H+](Cc2ccccc2O)C1 ZINC000289701962 183158103 /nfs/dbraw/zinc/15/81/03/183158103.db2.gz GBVGPCAJCKXSLW-ZDUSSCGKSA-N 1 0 239.290 1.689 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000179912612 183274922 /nfs/dbraw/zinc/27/49/22/183274922.db2.gz XZLVKRIVURVDPU-SNVBAGLBSA-N 1 0 211.236 1.098 20 10 BDCDRO Oc1cc2c(cc1C[NH2+]C1CC1)OCO2 ZINC000042878953 183260503 /nfs/dbraw/zinc/26/05/03/183260503.db2.gz FFCURJCHLKUNBT-UHFFFAOYSA-N 1 0 207.229 1.373 20 10 BDCDRO Oc1cc2c(cc1C[NH2+]CCF)OCO2 ZINC000280624697 183260972 /nfs/dbraw/zinc/26/09/72/183260972.db2.gz GGFCTNJLSQJMBT-UHFFFAOYSA-N 1 0 213.208 1.180 20 10 BDCDRO Oc1ccccc1C[NH2+]CCCn1cccn1 ZINC000134479791 183301013 /nfs/dbraw/zinc/30/10/13/183301013.db2.gz MAKDPGAINVREMW-UHFFFAOYSA-N 1 0 231.299 1.769 20 10 BDCDRO CCCNC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000036780985 169228200 /nfs/dbraw/zinc/22/82/00/169228200.db2.gz NGGBGOYUONPNOH-JTQLQIEISA-N 1 0 236.315 1.569 20 10 BDCDRO C[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295809567 383850624 /nfs/dbraw/zinc/85/06/24/383850624.db2.gz CRYGRDVUZQCENP-WCBMZHEXSA-N 1 0 207.273 1.350 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCOCCO)c1 ZINC000035628943 383865127 /nfs/dbraw/zinc/86/51/27/383865127.db2.gz QKBYOPMNURIXRA-LLVKDONJSA-N 1 0 239.315 1.360 20 10 BDCDRO CC[C@H](CCO)C[NH2+]Cc1ccccc1O ZINC000087362654 383831297 /nfs/dbraw/zinc/83/12/97/383831297.db2.gz WRHXDLQILQVKQL-LLVKDONJSA-N 1 0 223.316 1.890 20 10 BDCDRO CC[C@](C)(CO)[NH2+]Cc1ccccc1O ZINC000070898410 384141447 /nfs/dbraw/zinc/14/14/47/384141447.db2.gz GXOBERAGZZVZAW-GFCCVEGCSA-N 1 0 209.289 1.643 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCNC2=O)cc1 ZINC000050393837 384620768 /nfs/dbraw/zinc/62/07/68/384620768.db2.gz PFUCPARDXNQIIU-ZDUSSCGKSA-N 1 0 247.342 1.121 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000083216063 384751153 /nfs/dbraw/zinc/75/11/53/384751153.db2.gz XZLJDFQLWLQPHY-MNOVXSKESA-N 1 0 223.316 1.980 20 10 BDCDRO C[C@@H](O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083608000 384782232 /nfs/dbraw/zinc/78/22/32/384782232.db2.gz BLEZNUCEFHSQSP-MRVPVSSYSA-N 1 0 229.707 1.906 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C1([NH3+])CCC1 ZINC000147976677 384865041 /nfs/dbraw/zinc/86/50/41/384865041.db2.gz PJRFMYLCXZJESU-UHFFFAOYSA-N 1 0 234.299 1.232 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[S@](C)=O)c1 ZINC000164301136 384957907 /nfs/dbraw/zinc/95/79/07/384957907.db2.gz VZIPTOJJZANOFJ-MGPLVRAMSA-N 1 0 241.356 1.557 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000128168684 384935761 /nfs/dbraw/zinc/93/57/61/384935761.db2.gz MZBRNXNWXONPHB-NSHDSACASA-N 1 0 207.273 1.267 20 10 BDCDRO C[C@@H]([NH2+]CC[C@H](C)O)c1cc(F)ccc1O ZINC000087111421 385074707 /nfs/dbraw/zinc/07/47/07/385074707.db2.gz IMBXBDCOBBKTQQ-DTWKUNHWSA-N 1 0 227.279 1.953 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1cc(OC)ccc1O ZINC000164767486 385038360 /nfs/dbraw/zinc/03/83/60/385038360.db2.gz DOGUANWAVADDLT-NSHDSACASA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H]([NH2+]CC(=O)NCC1CC1)c1ccccc1O ZINC000179889266 385381164 /nfs/dbraw/zinc/38/11/64/385381164.db2.gz NPESWIYDZAPIFJ-JTQLQIEISA-N 1 0 248.326 1.569 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC000364475682 385466195 /nfs/dbraw/zinc/46/61/95/385466195.db2.gz BZHWCHCRMUVELR-GFCCVEGCSA-N 1 0 233.315 1.740 20 10 BDCDRO COC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179555066 385471667 /nfs/dbraw/zinc/47/16/67/385471667.db2.gz VUTHKMSGQMVWDT-GFCCVEGCSA-N 1 0 249.310 1.777 20 10 BDCDRO CC[N@H+](CCO)Cc1cc(F)ccc1O ZINC000179870431 385496107 /nfs/dbraw/zinc/49/61/07/385496107.db2.gz AMLBDSIHBKISBQ-UHFFFAOYSA-N 1 0 213.252 1.346 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCCOCC2)cc1 ZINC000372434146 385576643 /nfs/dbraw/zinc/57/66/43/385576643.db2.gz WPTQBWNFBHEDBQ-UHFFFAOYSA-N 1 0 234.343 1.975 20 10 BDCDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000161150731 385747647 /nfs/dbraw/zinc/74/76/47/385747647.db2.gz ZBZMWRPGZHGRHI-SNVBAGLBSA-N 1 0 235.327 1.871 20 10 BDCDRO CCOc1cccc(C[N@H+](C)[C@H](C)CO)c1O ZINC000289386201 386295733 /nfs/dbraw/zinc/29/57/33/386295733.db2.gz DFJISQKCNJBOGQ-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO CCN(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000264716402 386263202 /nfs/dbraw/zinc/26/32/02/386263202.db2.gz NNMDDQNYRQUZQD-UHFFFAOYSA-N 1 0 236.315 1.302 20 10 BDCDRO Cn1nccc1C[NH2+]Cc1cc(F)ccc1O ZINC000226584500 386336299 /nfs/dbraw/zinc/33/62/99/386336299.db2.gz LQIFXUVXSWKFKZ-UHFFFAOYSA-N 1 0 235.262 1.555 20 10 BDCDRO C[C@H](O)CCC[NH2+]Cc1cc(F)ccc1O ZINC000228091015 386541098 /nfs/dbraw/zinc/54/10/98/386541098.db2.gz QBXCGFUFXXHHNO-VIFPVBQESA-N 1 0 227.279 1.782 20 10 BDCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1O ZINC000166202243 386764692 /nfs/dbraw/zinc/76/46/92/386764692.db2.gz OASVFSFRYKMVLU-CYBMUJFWSA-N 1 0 236.315 1.526 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000376245056 387614666 /nfs/dbraw/zinc/61/46/66/387614666.db2.gz OQIDGYIHSVUQHU-YPMHNXCESA-N 1 0 231.299 1.207 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC2COC2)c1 ZINC000527816375 387734434 /nfs/dbraw/zinc/73/44/34/387734434.db2.gz CALULHQFQKMHDR-UHFFFAOYSA-N 1 0 207.273 1.437 20 10 BDCDRO C[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295809565 388414593 /nfs/dbraw/zinc/41/45/93/388414593.db2.gz CRYGRDVUZQCENP-SCZZXKLOSA-N 1 0 207.273 1.350 20 10 BDCDRO C[C@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)C ZINC000297659997 388430881 /nfs/dbraw/zinc/43/08/81/388430881.db2.gz KNFDAHVBAAOXCB-ZYHUDNBSSA-N 1 0 234.343 1.919 20 10 BDCDRO C[C@](O)(C[NH2+]Cc1ccccc1O)C(F)(F)F ZINC000270483083 389012578 /nfs/dbraw/zinc/01/25/78/389012578.db2.gz JSLHQUMCOXJQTH-JTQLQIEISA-N 1 0 249.232 1.795 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCNC(=O)CC2)c1O ZINC000180061196 134325878 /nfs/dbraw/zinc/32/58/78/134325878.db2.gz CDIULMCDWMMBRX-UHFFFAOYSA-N 1 0 234.299 1.023 20 10 BDCDRO Nc1ccc(CCNC(=O)C2([NH3+])CCCC2)cc1 ZINC000262438275 135299581 /nfs/dbraw/zinc/29/95/81/135299581.db2.gz MGRNLCXJYPEANE-UHFFFAOYSA-N 1 0 247.342 1.199 20 10 BDCDRO CC(C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879044 167007586 /nfs/dbraw/zinc/00/75/86/167007586.db2.gz OADGNQAKUQZHSL-UHFFFAOYSA-N 1 0 223.272 1.867 20 10 BDCDRO CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000062461290 167344163 /nfs/dbraw/zinc/34/41/63/167344163.db2.gz SBNLBKPBQKOKLN-LBPRGKRZSA-N 1 0 235.331 1.794 20 10 BDCDRO CCN(C[C@@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000020239637 169880147 /nfs/dbraw/zinc/88/01/47/169880147.db2.gz MECWGCBKYYFRTL-SNVBAGLBSA-N 1 0 238.331 1.877 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363100 170087926 /nfs/dbraw/zinc/08/79/26/170087926.db2.gz HXXFCZWSUXMNHM-SNVBAGLBSA-N 1 0 248.326 1.236 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000036795284 170094700 /nfs/dbraw/zinc/09/47/00/170094700.db2.gz XTLQJXHIAIUBPV-UWVGGRQHSA-N 1 0 236.315 1.567 20 10 BDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000169816547 171395632 /nfs/dbraw/zinc/39/56/32/171395632.db2.gz LOKCQGZNNVAHCR-GWCFXTLKSA-N 1 0 249.358 1.301 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)CCC[NH3+] ZINC000037823764 172877865 /nfs/dbraw/zinc/87/78/65/172877865.db2.gz GEJSKLTZZMDGGU-UHFFFAOYSA-N 1 0 222.288 1.090 20 10 BDCDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1O ZINC000299580197 173049765 /nfs/dbraw/zinc/04/97/65/173049765.db2.gz SXNOQNAHWCFXDX-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO CN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000221143031 173055367 /nfs/dbraw/zinc/05/53/67/173055367.db2.gz AJIXNIZMJZTVEJ-AWEZNQCLSA-N 1 0 246.354 1.805 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCN(C)C2)cc1 ZINC000042543749 173151777 /nfs/dbraw/zinc/15/17/77/173151777.db2.gz NVCGVMUIBWXUDU-ZDUSSCGKSA-N 1 0 233.359 1.546 20 10 BDCDRO CN1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000042544015 173153116 /nfs/dbraw/zinc/15/31/16/173153116.db2.gz ORSJPWUATGTDEW-NSHDSACASA-N 1 0 206.289 1.186 20 10 BDCDRO C[NH2+][C@@H]1CCCN(Cc2ccccc2O)C1 ZINC000053201577 173433140 /nfs/dbraw/zinc/43/31/40/173433140.db2.gz QRDBOWAMQSERFB-GFCCVEGCSA-N 1 0 220.316 1.576 20 10 BDCDRO COc1cc(Cl)cc(C[NH2+][C@H](C)CO)c1O ZINC000128612378 174989743 /nfs/dbraw/zinc/98/97/43/174989743.db2.gz SVEWLCDKTNZBMZ-SSDOTTSWSA-N 1 0 245.706 1.525 20 10 BDCDRO COc1ccc(N(C)C[C@H]2CC[NH2+]C2)cc1 ZINC000051890131 175136578 /nfs/dbraw/zinc/13/65/78/175136578.db2.gz ANXUJOCRZIOSFQ-NSHDSACASA-N 1 0 220.316 1.741 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000271774465 175158013 /nfs/dbraw/zinc/15/80/13/175158013.db2.gz FWYQXFKCDSMKSD-NSHDSACASA-N 1 0 237.299 1.358 20 10 BDCDRO COc1cccc(CN(C)[C@@H]2CC[NH2+]C2)c1O ZINC000071309233 175254580 /nfs/dbraw/zinc/25/45/80/175254580.db2.gz KYDFPZDDAAUKNY-LLVKDONJSA-N 1 0 236.315 1.195 20 10 BDCDRO COc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000092470964 175258575 /nfs/dbraw/zinc/25/85/75/175258575.db2.gz RWDUPKONCZCITP-LLVKDONJSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1cccc(C[NH2+]CC(C)(C)O)c1O ZINC000082687404 175263197 /nfs/dbraw/zinc/26/31/97/175263197.db2.gz ZHZXIZMJEMBQAT-UHFFFAOYSA-N 1 0 225.288 1.261 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H]2CCOC2)c1O ZINC000037738184 175266225 /nfs/dbraw/zinc/26/62/25/175266225.db2.gz BXLPZQVJIQYZBW-SNVBAGLBSA-N 1 0 237.299 1.527 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CCO[C@@H]2C)c1O ZINC000134247226 175267090 /nfs/dbraw/zinc/26/70/90/175267090.db2.gz AAENLCDLRXBGHD-MWLCHTKSSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@H]1[NH2+]CCN(C(=O)Cc2ccc(N)cc2)[C@@H]1C ZINC000262804359 177396445 /nfs/dbraw/zinc/39/64/45/177396445.db2.gz PVBNRNAVUQPWHH-GHMZBOCLSA-N 1 0 247.342 1.020 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC12CC(C1)CO2 ZINC000529661292 324372461 /nfs/dbraw/zinc/37/24/61/324372461.db2.gz BKMGDTRZIBFSPR-UHFFFAOYSA-N 1 0 237.274 1.800 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(C)ccc1O ZINC000854233095 588781345 /nfs/dbraw/zinc/78/13/45/588781345.db2.gz XMEXQAOZVZJPAM-MNOVXSKESA-N 1 0 222.332 1.959 20 10 BDCDRO CCc1cccc(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000848914792 582815091 /nfs/dbraw/zinc/81/50/91/582815091.db2.gz NTTZAMQHDWULBQ-ZWNOBZJWSA-N 1 0 235.327 1.910 20 10 BDCDRO C[N@H+](Cc1cc(F)cc(F)c1[O-])CC(C)(C)O ZINC000894025380 583280713 /nfs/dbraw/zinc/28/07/13/583280713.db2.gz ARQXYDOQUVDTKH-UHFFFAOYSA-N 1 0 245.269 1.873 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c(O)c1 ZINC000877461708 583314379 /nfs/dbraw/zinc/31/43/79/583314379.db2.gz JLJXSVJWXOLFLU-GXTWGEPZSA-N 1 0 233.311 1.515 20 10 BDCDRO Cc1ncoc1C[NH2+]Cc1ccccc1O ZINC000894214387 583380717 /nfs/dbraw/zinc/38/07/17/583380717.db2.gz XBUCDJNCAAJPMV-UHFFFAOYSA-N 1 0 218.256 1.978 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(O)c1 ZINC000895645379 583700846 /nfs/dbraw/zinc/70/08/46/583700846.db2.gz PYCQMJAAEYQKKL-DGCLKSJQSA-N 1 0 219.284 1.267 20 10 BDCDRO CC(=O)OC[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000895852226 583736962 /nfs/dbraw/zinc/73/69/62/583736962.db2.gz RUAOOHHROVOEAM-UWVGGRQHSA-N 1 0 237.299 1.994 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C)[C@@H]1C ZINC000896554151 583812226 /nfs/dbraw/zinc/81/22/26/583812226.db2.gz HUTFHRYRMHGEJO-DGCLKSJQSA-N 1 0 234.343 1.883 20 10 BDCDRO CC[N@H+](CCC(N)=O)Cc1ccccc1O ZINC000896714569 583826372 /nfs/dbraw/zinc/82/63/72/583826372.db2.gz GRVGYGAUNJJYDH-UHFFFAOYSA-N 1 0 222.288 1.090 20 10 BDCDRO COCC[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858087010 588931641 /nfs/dbraw/zinc/93/16/41/588931641.db2.gz QZIWIAQYYYGTSW-UHFFFAOYSA-N 1 0 244.285 1.767 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000858249712 588940506 /nfs/dbraw/zinc/94/05/06/588940506.db2.gz UVBCMJILQRBJPB-HAQNSBGRSA-N 1 0 247.342 1.106 20 10 BDCDRO C[C@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@@H]1O ZINC000897684878 584040682 /nfs/dbraw/zinc/04/06/82/584040682.db2.gz YHTRMTLNWXJSSK-UFBFGSQYSA-N 1 0 241.718 1.858 20 10 BDCDRO Cn1cnc(C[NH2+]Cc2cc(F)ccc2O)c1 ZINC000898044703 584073096 /nfs/dbraw/zinc/07/30/96/584073096.db2.gz ANKGUABEHYBVQM-UHFFFAOYSA-N 1 0 235.262 1.555 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898204102 584091166 /nfs/dbraw/zinc/09/11/66/584091166.db2.gz OBGNLPWPBDUVMZ-ZDUSSCGKSA-N 1 0 239.290 1.782 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@H](O)C1CC1 ZINC000898205360 584091954 /nfs/dbraw/zinc/09/19/54/584091954.db2.gz COBHYQPYWREMKB-ZDUSSCGKSA-N 1 0 221.300 1.643 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c1O ZINC000898187309 584093702 /nfs/dbraw/zinc/09/37/02/584093702.db2.gz JIEZVDVICFGOMV-NWDGAFQWSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898198237 584098200 /nfs/dbraw/zinc/09/82/00/584098200.db2.gz OZBMFTIOWMKYOF-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841040918 584116907 /nfs/dbraw/zinc/11/69/07/584116907.db2.gz COBYQWHBZIHSHT-UXIGCNINSA-N 1 0 247.386 1.998 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000858495257 588960547 /nfs/dbraw/zinc/96/05/47/588960547.db2.gz YWMIUNFAFKGXAJ-DCAQKATOSA-N 1 0 248.326 1.615 20 10 BDCDRO NC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000858495301 588960674 /nfs/dbraw/zinc/96/06/74/588960674.db2.gz ZZJOHHPFGSZTEA-GMTAPVOTSA-N 1 0 246.310 1.233 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCON)c1 ZINC000902425323 584593799 /nfs/dbraw/zinc/59/37/99/584593799.db2.gz LZKWNYNZSYNYBI-SECBINFHSA-N 1 0 240.303 1.332 20 10 BDCDRO Oc1cccc2c1[C@H](N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902459103 584610745 /nfs/dbraw/zinc/61/07/45/584610745.db2.gz BDSZAGCCZUPYDC-UMSGYPCISA-N 1 0 244.338 1.862 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H]2CO)cc1C ZINC000902629464 584646153 /nfs/dbraw/zinc/64/61/53/584646153.db2.gz DRGJIBYZUYPCJL-LBPRGKRZSA-N 1 0 221.300 1.576 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841076982 584761349 /nfs/dbraw/zinc/76/13/49/584761349.db2.gz VSPHSJXLLRAZLE-YUMQZZPRSA-N 1 0 228.723 1.871 20 10 BDCDRO CN(Cc1ccccc1O)C[C@@H]([NH3+])CC(F)F ZINC000903884920 584818991 /nfs/dbraw/zinc/81/89/91/584818991.db2.gz HYQOUIGODYEGSR-JTQLQIEISA-N 1 0 244.285 1.807 20 10 BDCDRO C[C@@H]([NH2+][C@H](CN)C1CC1)c1cc(F)ccc1O ZINC000817959295 584992401 /nfs/dbraw/zinc/99/24/01/584992401.db2.gz FJIHXJJFTGQVFB-PRHODGIISA-N 1 0 238.306 1.919 20 10 BDCDRO C[N@H+](Cc1ccccc1O)CC1(O)CCC1 ZINC000757845278 585345707 /nfs/dbraw/zinc/34/57/07/585345707.db2.gz RXWMSCIMTJXNNZ-UHFFFAOYSA-N 1 0 221.300 1.739 20 10 BDCDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC000765794969 585492883 /nfs/dbraw/zinc/49/28/83/585492883.db2.gz GOLGTKMDZJJSCX-VXGBXAGGSA-N 1 0 248.326 1.397 20 10 BDCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCCNC1=O ZINC000766884486 585509081 /nfs/dbraw/zinc/50/90/81/585509081.db2.gz AUAQCUNSNUWEAX-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO COc1cccc(O)c1CN(C)Cc1cc[nH]n1 ZINC000769384041 585554919 /nfs/dbraw/zinc/55/49/19/585554919.db2.gz KJGIEFKVMYNZPC-UHFFFAOYSA-N 1 0 247.298 1.756 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N(C)C)cc1 ZINC000843066595 585599333 /nfs/dbraw/zinc/59/93/33/585599333.db2.gz YNZMZPAHCYDCES-BETUJISGSA-N 1 0 247.386 1.935 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCn2ccnc2C1 ZINC000778189585 585727017 /nfs/dbraw/zinc/72/70/17/585727017.db2.gz RDDATNXFPLDYLF-LBPRGKRZSA-N 1 0 243.310 1.693 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@@H](O)C[C@@H]2C)c1O ZINC000788266740 585920163 /nfs/dbraw/zinc/92/01/63/585920163.db2.gz BIEMVSZAHQVWEI-JQWIXIFHSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000788266733 585920266 /nfs/dbraw/zinc/92/02/66/585920266.db2.gz BIEMVSZAHQVWEI-CMPLNLGQSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2C)cc1C ZINC000788271150 585920555 /nfs/dbraw/zinc/92/05/55/585920555.db2.gz ZFINUBFKVCKIBR-WCQYABFASA-N 1 0 235.327 1.964 20 10 BDCDRO C[N@H+](CC[N+](=O)[O-])Cc1ccccc1O ZINC000791053176 585973426 /nfs/dbraw/zinc/97/34/26/585973426.db2.gz BJPYLALINBIUTI-UHFFFAOYSA-N 1 0 210.233 1.101 20 10 BDCDRO OC[C@]1(F)CC[N@H+](Cc2ccccc2O)C1 ZINC000802660976 586309268 /nfs/dbraw/zinc/30/92/68/586309268.db2.gz BLBKWHHVDABBEJ-LBPRGKRZSA-N 1 0 225.263 1.299 20 10 BDCDRO COc1cccc(O)c1C[N@@H+](C)C[C@@H](C)OC ZINC000809717038 586514490 /nfs/dbraw/zinc/51/44/90/586514490.db2.gz CCTXCWNQQDZBCN-SNVBAGLBSA-N 1 0 239.315 1.868 20 10 BDCDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944412 586845810 /nfs/dbraw/zinc/84/58/10/586845810.db2.gz BHAQGXOCSNXNLP-DGCLKSJQSA-N 1 0 233.359 1.765 20 10 BDCDRO C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817961665 586853222 /nfs/dbraw/zinc/85/32/22/586853222.db2.gz BXTVQJUKHQXSBW-YUMQZZPRSA-N 1 0 244.285 1.916 20 10 BDCDRO C[C@@H]([NH3+])CN[C@H](C)c1cc(F)ccc1O ZINC000817972759 586859187 /nfs/dbraw/zinc/85/91/87/586859187.db2.gz OIOFJEYESTZWBM-HTQZYQBOSA-N 1 0 212.268 1.529 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972904 586859643 /nfs/dbraw/zinc/85/96/43/586859643.db2.gz PJHRPWAXMIJZCF-JGVFFNPUSA-N 1 0 239.275 1.298 20 10 BDCDRO C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972903 586859818 /nfs/dbraw/zinc/85/98/18/586859818.db2.gz PJHRPWAXMIJZCF-HTQZYQBOSA-N 1 0 239.275 1.298 20 10 BDCDRO CCOc1cccc(C[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000818230972 586880916 /nfs/dbraw/zinc/88/09/16/586880916.db2.gz KXMCKFYMNVTLGK-GHMZBOCLSA-N 1 0 237.299 1.404 20 10 BDCDRO COC(=O)C1(C)C[NH+](Cc2cccc(C)c2O)C1 ZINC000822534352 587173724 /nfs/dbraw/zinc/17/37/24/587173724.db2.gz DDPSNKLBPBARKK-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H]2C)c1 ZINC000825104360 587304139 /nfs/dbraw/zinc/30/41/39/587304139.db2.gz VAHWINBGHXMZJQ-BXKDBHETSA-N 1 0 237.299 1.356 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CCO)cc1Cl ZINC000825417365 587318869 /nfs/dbraw/zinc/31/88/69/587318869.db2.gz LNILYMUUUXQCGR-UHFFFAOYSA-N 1 0 215.680 1.436 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C2([C@@H](C)O)CC2)c1 ZINC000827585276 587390272 /nfs/dbraw/zinc/39/02/72/587390272.db2.gz DNBDZOYFMBCWHO-SECBINFHSA-N 1 0 237.299 1.404 20 10 BDCDRO CNC(=O)C[N@H+](C)Cc1ccc(N(C)C)cc1C ZINC000827862345 587405885 /nfs/dbraw/zinc/40/58/85/587405885.db2.gz CARMFLFKFSCJAA-UHFFFAOYSA-N 1 0 249.358 1.239 20 10 BDCDRO C[C@@]1(C[NH3+])CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000834723139 587764864 /nfs/dbraw/zinc/76/48/64/587764864.db2.gz RUXMQUKZXRFNRL-AWEZNQCLSA-N 1 0 247.342 1.009 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000840910300 587929506 /nfs/dbraw/zinc/92/95/06/587929506.db2.gz QDEGNNSHGQKUJO-SECBINFHSA-N 1 0 241.718 1.921 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840928581 587930127 /nfs/dbraw/zinc/93/01/27/587930127.db2.gz ZMVSDWVWILLNMX-ZDUSSCGKSA-N 1 0 236.359 1.922 20 10 BDCDRO CNC(=O)CC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000840932898 587930457 /nfs/dbraw/zinc/93/04/57/587930457.db2.gz KYUSLTRXFLRTNU-UHFFFAOYSA-N 1 0 249.358 1.287 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCO[C@H](CF)C2)c1O ZINC000840955702 587931515 /nfs/dbraw/zinc/93/15/15/587931515.db2.gz YHNHHMAVGVDMCV-GFCCVEGCSA-N 1 0 239.290 1.871 20 10 BDCDRO CC(C)([NH3+])C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841030399 587936187 /nfs/dbraw/zinc/93/61/87/587936187.db2.gz HNSHZFWKXNGQGX-UHFFFAOYSA-N 1 0 228.723 1.873 20 10 BDCDRO [O-]c1c(F)cccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000841032543 587936924 /nfs/dbraw/zinc/93/69/24/587936924.db2.gz GOAIQEOKYUERPJ-JTQLQIEISA-N 1 0 238.306 1.621 20 10 BDCDRO Cc1cc(O)c(CNC[C@H]2CCC[NH2+]2)cc1C ZINC000841036046 587937520 /nfs/dbraw/zinc/93/75/20/587937520.db2.gz NPIAWVOWYOORFM-CYBMUJFWSA-N 1 0 234.343 1.851 20 10 BDCDRO CCOc1cccc(CNCC[NH2+]C)c1O ZINC000841035568 587937716 /nfs/dbraw/zinc/93/77/16/587937716.db2.gz KNZUKKBONGOKGG-UHFFFAOYSA-N 1 0 224.304 1.100 20 10 BDCDRO C[C@@H](C[NH3+])C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841047695 587939455 /nfs/dbraw/zinc/93/94/55/587939455.db2.gz BSZSBOUZVIFEHL-ZETCQYMHSA-N 1 0 246.713 1.869 20 10 BDCDRO [NH3+][C@H](CNCc1c(O)cccc1Cl)C1CC1 ZINC000841048937 587939693 /nfs/dbraw/zinc/93/96/93/587939693.db2.gz HHAGRDNMHTXYPV-LLVKDONJSA-N 1 0 240.734 1.873 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(N(C)C)cc1 ZINC000841059395 587940799 /nfs/dbraw/zinc/94/07/99/587940799.db2.gz RMGNIIKWWRGANC-IUODEOHRSA-N 1 0 247.386 1.840 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1c(O)cccc1OC ZINC000841065346 587941475 /nfs/dbraw/zinc/94/14/75/587941475.db2.gz IZFAZTHDZIBQFS-SNVBAGLBSA-N 1 0 238.331 1.488 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CC[NH2+]1 ZINC000841061165 587941713 /nfs/dbraw/zinc/94/17/13/587941713.db2.gz FRFTWNBXPGAIAV-KOLCDFICSA-N 1 0 238.306 1.761 20 10 BDCDRO NC[C@@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000841088255 587945853 /nfs/dbraw/zinc/94/58/53/587945853.db2.gz UHMMPZIRZCSWMY-CYBMUJFWSA-N 1 0 234.343 1.999 20 10 BDCDRO Cc1cccc(CN[C@@H]2CC[NH2+]C2(C)C)c1O ZINC000841087255 587946061 /nfs/dbraw/zinc/94/60/61/587946061.db2.gz SJGHCBFQEVFPGO-GFCCVEGCSA-N 1 0 234.343 1.931 20 10 BDCDRO Cc1cc(O)c(CN(C)CC[NH3+])c(Cl)c1 ZINC000841100963 587946659 /nfs/dbraw/zinc/94/66/59/587946659.db2.gz QERCFMYTGBQGOE-UHFFFAOYSA-N 1 0 228.723 1.745 20 10 BDCDRO CC(C)C[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000841847650 587977411 /nfs/dbraw/zinc/97/74/11/587977411.db2.gz FFOUXXVBANSGHB-CYBMUJFWSA-N 1 0 249.358 1.301 20 10 BDCDRO [NH3+]C[C@@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843046925 588075692 /nfs/dbraw/zinc/07/56/92/588075692.db2.gz FMUKHBMASMQTNV-JTQLQIEISA-N 1 0 238.306 1.702 20 10 BDCDRO Cc1cc(O)c(CN2CCC[C@@H]([NH3+])C2)cc1C ZINC000843043843 588076173 /nfs/dbraw/zinc/07/61/73/588076173.db2.gz KYSYDQWGRCJGLV-CYBMUJFWSA-N 1 0 234.343 1.932 20 10 BDCDRO [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843048429 588076237 /nfs/dbraw/zinc/07/62/37/588076237.db2.gz TVQXNXRGIKNDEF-VIFPVBQESA-N 1 0 240.734 1.826 20 10 BDCDRO [NH3+]C[C@H]1CC[N@H+](Cc2cccc(Cl)c2[O-])C1 ZINC000843048428 588076302 /nfs/dbraw/zinc/07/63/02/588076302.db2.gz TVQXNXRGIKNDEF-SECBINFHSA-N 1 0 240.734 1.826 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843051424 588076580 /nfs/dbraw/zinc/07/65/80/588076580.db2.gz HFVBPQZNKFFJFL-SKDRFNHKSA-N 1 0 238.306 1.700 20 10 BDCDRO C[C@@H](C[NH3+])N(C)Cc1ccc(N(C)C)c(F)c1 ZINC000843052582 588076658 /nfs/dbraw/zinc/07/66/58/588076658.db2.gz VWEJZHGSNXXFLH-JTQLQIEISA-N 1 0 239.338 1.671 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@H]1[NH3+] ZINC000843051423 588077082 /nfs/dbraw/zinc/07/70/82/588077082.db2.gz HFVBPQZNKFFJFL-JOYOIKCWSA-N 1 0 238.306 1.700 20 10 BDCDRO C[NH2+]CCN(C)Cc1c(O)cccc1OC ZINC000843057479 588077603 /nfs/dbraw/zinc/07/76/03/588077603.db2.gz OTOJQRBKIWXNLS-UHFFFAOYSA-N 1 0 224.304 1.052 20 10 BDCDRO CC(C)[C@H]1CN(Cc2ccccc2O)CC[NH2+]1 ZINC000843105680 588081591 /nfs/dbraw/zinc/08/15/91/588081591.db2.gz VSXPAQCUDCKLQC-CYBMUJFWSA-N 1 0 234.343 1.822 20 10 BDCDRO C[C@@]1(C[NH3+])CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843116309 588082742 /nfs/dbraw/zinc/08/27/42/588082742.db2.gz KIPXASARFMCLMW-ZDUSSCGKSA-N 1 0 238.306 1.702 20 10 BDCDRO C[C@H]1C[NH2+]C[C@H](Nc2ccc(N)cc2)C1 ZINC000843126667 588084693 /nfs/dbraw/zinc/08/46/93/588084693.db2.gz SOEGIIHVRNLVDY-BXKDBHETSA-N 1 0 205.305 1.679 20 10 BDCDRO CCCN(Cc1ccccc1O)C[C@H](C)[NH3+] ZINC000843358439 588103787 /nfs/dbraw/zinc/10/37/87/588103787.db2.gz QHVPDIINLWLDOE-NSHDSACASA-N 1 0 222.332 1.951 20 10 BDCDRO COCC[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846135647 588258438 /nfs/dbraw/zinc/25/84/38/588258438.db2.gz FIRJHWQHXVWSNS-VIFPVBQESA-N 1 0 225.288 1.698 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]CCCCO)c1O ZINC000846163982 588259082 /nfs/dbraw/zinc/25/90/82/588259082.db2.gz CVMARBGNKMFGQA-JTQLQIEISA-N 1 0 239.315 1.824 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c(O)c1 ZINC000846189518 588259509 /nfs/dbraw/zinc/25/95/09/588259509.db2.gz MBNFLZPEEPBSGG-MXWKQRLJSA-N 1 0 248.326 1.615 20 10 BDCDRO C[NH+](C)CC(=O)NCc1cc(Cl)ccc1O ZINC000846472114 588267147 /nfs/dbraw/zinc/26/71/47/588267147.db2.gz HAQWNTHMFPKWII-UHFFFAOYSA-N 1 0 242.706 1.223 20 10 BDCDRO CCNC(=[NH2+])NCc1cc(OC)ccc1O ZINC000849008863 588434128 /nfs/dbraw/zinc/43/41/28/588434128.db2.gz GBLZHIAROJOYOI-UHFFFAOYSA-N 1 0 223.276 1.035 20 10 BDCDRO COc1ccc(N2CC[C@H](CNC(N)=[NH2+])C2)cc1 ZINC000849043965 588449207 /nfs/dbraw/zinc/44/92/07/588449207.db2.gz NETXLMUWHJSOGS-SNVBAGLBSA-N 1 0 248.330 1.005 20 10 BDCDRO [NH2+]=C(NCc1cc(Cl)ccc1O)NC1CC1 ZINC000849049723 588451519 /nfs/dbraw/zinc/45/15/19/588451519.db2.gz VHNXUAQBCUZVQT-UHFFFAOYSA-N 1 0 239.706 1.822 20 10 BDCDRO CN(C)c1ccc(CNC2=[NH+]CCCCN2)cc1 ZINC000849214958 588461964 /nfs/dbraw/zinc/46/19/64/588461964.db2.gz FRTMDWAESUCTFC-UHFFFAOYSA-N 1 0 246.358 1.582 20 10 BDCDRO COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000850113622 588520286 /nfs/dbraw/zinc/52/02/86/588520286.db2.gz OYHCZLMWQNRPRJ-ADEWGFFLSA-N 1 0 249.310 1.679 20 10 BDCDRO OC[C@H](C[NH2+]Cc1ccccc1O)CC1CC1 ZINC000850386585 588542788 /nfs/dbraw/zinc/54/27/88/588542788.db2.gz MHDJLWJVYYIXOO-LBPRGKRZSA-N 1 0 235.327 1.890 20 10 BDCDRO CCOc1ccc(C[NH2+][C@H]2C[C@H](O)C2)c(O)c1 ZINC000850417635 588544787 /nfs/dbraw/zinc/54/47/87/588544787.db2.gz GNAWYLWDUCHXAA-XYPYZODXSA-N 1 0 237.299 1.404 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850417958 588544849 /nfs/dbraw/zinc/54/48/49/588544849.db2.gz SMJONYQAXQIIJP-KYZUINATSA-N 1 0 223.272 1.014 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850417524 588545176 /nfs/dbraw/zinc/54/51/76/588545176.db2.gz BLYBOACRYWYIRB-XYPYZODXSA-N 1 0 207.273 1.314 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@H](C)c1cccc(OC)c1O ZINC000850529784 588557824 /nfs/dbraw/zinc/55/78/24/588557824.db2.gz SZFVJTDKMJNOGK-NXEZZACHSA-N 1 0 239.315 1.822 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579088 588561475 /nfs/dbraw/zinc/56/14/75/588561475.db2.gz SMCBTWJNNKXQTI-GMTAPVOTSA-N 1 0 221.300 1.875 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1cc(Cl)ccc1O ZINC000863487316 589293859 /nfs/dbraw/zinc/29/38/59/589293859.db2.gz NGRZEYQMTXFKBX-GZMMTYOYSA-N 1 0 240.734 1.886 20 10 BDCDRO CCOc1ccc(O)c(CN(C)C[C@H](C)[NH3+])c1 ZINC000863653487 589308008 /nfs/dbraw/zinc/30/80/08/589308008.db2.gz LFCGHAIXLQHPJA-JTQLQIEISA-N 1 0 238.331 1.570 20 10 BDCDRO COc1ccc(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)c(O)c1 ZINC000864465424 589371050 /nfs/dbraw/zinc/37/10/50/589371050.db2.gz WJGUAGWULLINKN-GZMMTYOYSA-N 1 0 249.314 1.423 20 10 BDCDRO CC[C@@H](C(=O)N1Cc2cccc(O)c2C1)[NH+](C)C ZINC000871203663 589744770 /nfs/dbraw/zinc/74/47/70/589744770.db2.gz PLCTUARFWOBEHT-LBPRGKRZSA-N 1 0 248.326 1.575 20 10 BDCDRO CCOc1cccc(C[NH2+][C@@H](C)COC)c1O ZINC000019904643 590041045 /nfs/dbraw/zinc/04/10/45/590041045.db2.gz HDZXXOYPISHPSE-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO CCOc1ccc(N(C)CCC[NH3+])cc1 ZINC000020239271 590090411 /nfs/dbraw/zinc/09/04/11/590090411.db2.gz RHSZPMSPDQORAX-UHFFFAOYSA-N 1 0 208.305 1.870 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000876511360 590205290 /nfs/dbraw/zinc/20/52/90/590205290.db2.gz GJFVXAIJRKAFJK-NSHDSACASA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC000876528127 590209330 /nfs/dbraw/zinc/20/93/30/590209330.db2.gz PXCUDPZUZNUCQR-LBPRGKRZSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1ccc(C[N@@H+](C)CC(=O)N(C)C)c(O)c1 ZINC000876541874 590212777 /nfs/dbraw/zinc/21/27/77/590212777.db2.gz LFPZIVDKEYFARO-UHFFFAOYSA-N 1 0 236.315 1.221 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCO[C@@H](C)C2)c(O)c1 ZINC000876557022 590215736 /nfs/dbraw/zinc/21/57/36/590215736.db2.gz DUMPTKQLSGMIAJ-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO COCC[N@H+](C)Cc1ccc(C)cc1O ZINC000876564788 590216241 /nfs/dbraw/zinc/21/62/41/590216241.db2.gz ONJKLJNPBYFUOO-UHFFFAOYSA-N 1 0 209.289 1.779 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CCN(C2CC2)CC1 ZINC000876563385 590216663 /nfs/dbraw/zinc/21/66/63/590216663.db2.gz FLWFIUQKXOAABS-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000877053142 590275437 /nfs/dbraw/zinc/27/54/37/590275437.db2.gz DVQFQGLWTLNEGN-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H](C)CCO)c(O)c1 ZINC000877068497 590277205 /nfs/dbraw/zinc/27/72/05/590277205.db2.gz XSZMJNWGUHYVHD-LLVKDONJSA-N 1 0 223.316 1.809 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](CO)C(C)C)c(O)c1 ZINC000877074514 590278254 /nfs/dbraw/zinc/27/82/54/590278254.db2.gz MWFNNOSJTLBTAJ-GFCCVEGCSA-N 1 0 223.316 1.807 20 10 BDCDRO CN(C(=O)[C@@H]1[NH2+]CCC1(C)C)c1ccc(N)cc1 ZINC000877074290 590278437 /nfs/dbraw/zinc/27/84/37/590278437.db2.gz FPLVYLHXGOKNNN-LBPRGKRZSA-N 1 0 247.342 1.620 20 10 BDCDRO C[C@@H]1[C@H](C(=O)N(C)c2ccc(N)cc2)CC[N@@H+]1C ZINC000877076117 590278985 /nfs/dbraw/zinc/27/89/85/590278985.db2.gz MHXGCAJYIJRRDS-ZWNOBZJWSA-N 1 0 247.342 1.572 20 10 BDCDRO CN(C(=O)C[C@@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000877079262 590279420 /nfs/dbraw/zinc/27/94/20/590279420.db2.gz WJPLKULLJPATAW-NSHDSACASA-N 1 0 233.315 1.374 20 10 BDCDRO CC(C)[NH2+]CCC(=O)N(C)c1ccc(N)cc1 ZINC000877079054 590279426 /nfs/dbraw/zinc/27/94/26/590279426.db2.gz OLFRUJQWQWKDPG-UHFFFAOYSA-N 1 0 235.331 1.620 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1(C)OCCO1 ZINC000877118119 590288583 /nfs/dbraw/zinc/28/85/83/590288583.db2.gz NFFLPGJHMXMOLI-UHFFFAOYSA-N 1 0 237.299 1.553 20 10 BDCDRO COC[C@](C)(CO)[NH2+]Cc1ccc(C)cc1O ZINC000877155637 590293113 /nfs/dbraw/zinc/29/31/13/590293113.db2.gz ISKOJCZVJHBOAE-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC(=O)NCC1CC1 ZINC000877167404 590295532 /nfs/dbraw/zinc/29/55/32/590295532.db2.gz WRVJOMDSCWDKJP-UHFFFAOYSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)C1CC(O)C1 ZINC000877344619 590319077 /nfs/dbraw/zinc/31/90/77/590319077.db2.gz KRAFWNDZPMFKFS-UHFFFAOYSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000877430383 590325464 /nfs/dbraw/zinc/32/54/64/590325464.db2.gz HHFMRSIEBWHOAI-CHWSQXEVSA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c(O)c1 ZINC000877434747 590326791 /nfs/dbraw/zinc/32/67/91/590326791.db2.gz TZKCBRDXGPDEQK-WCQYABFASA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)c2ncnn2C)c(O)c1 ZINC000877469784 590334817 /nfs/dbraw/zinc/33/48/17/590334817.db2.gz YZGJLWRXBPDSFG-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO Cc1ccc(C[NH2+]CC[C@H](C)O)c(O)c1 ZINC000877477122 590336282 /nfs/dbraw/zinc/33/62/82/590336282.db2.gz XUTZSAMXTRQTMV-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCCCO ZINC000877482502 590338145 /nfs/dbraw/zinc/33/81/45/590338145.db2.gz BFEFVHZWVYQCQI-UHFFFAOYSA-N 1 0 209.289 1.563 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000877494547 590340762 /nfs/dbraw/zinc/34/07/62/590340762.db2.gz YFXGHTZXHVOVFG-AWEZNQCLSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c(O)c1 ZINC000877499637 590341014 /nfs/dbraw/zinc/34/10/14/590341014.db2.gz RNAYJPSLONIVJV-ZWNOBZJWSA-N 1 0 248.326 1.315 20 10 BDCDRO COCC[C@@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877501015 590342030 /nfs/dbraw/zinc/34/20/30/590342030.db2.gz KYVMISZWHJSKOR-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1cncn1C ZINC000877537585 590350688 /nfs/dbraw/zinc/35/06/88/590350688.db2.gz PPJJRLSHKUJPMJ-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO CC[C@H]([NH2+]Cc1c(C)cccc1O)C(=O)NC ZINC000877575674 590363963 /nfs/dbraw/zinc/36/39/63/590363963.db2.gz BALJAZZENQENEN-NSHDSACASA-N 1 0 236.315 1.315 20 10 BDCDRO CO[C@](C)(CO)C[NH2+]Cc1ccc(C)cc1O ZINC000877616516 590374762 /nfs/dbraw/zinc/37/47/62/590374762.db2.gz CRSUFKCAYPMCPU-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC(=O)N(C)CC2)c(O)c1 ZINC000877632207 590377591 /nfs/dbraw/zinc/37/75/91/590377591.db2.gz RUWBBEPZJZQMHR-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000877633183 590379342 /nfs/dbraw/zinc/37/93/42/590379342.db2.gz CAPUDFXQZPNXHA-JTQLQIEISA-N 1 0 234.299 1.069 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]C2CSC2)c1 ZINC000877635318 590380894 /nfs/dbraw/zinc/38/08/94/590380894.db2.gz MCACFYCGLFHTNZ-UHFFFAOYSA-N 1 0 239.340 1.996 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877660580 590387202 /nfs/dbraw/zinc/38/72/02/590387202.db2.gz NZXSNNHDEVFUQA-ZYHUDNBSSA-N 1 0 247.294 1.305 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)c(O)c1 ZINC000877666489 590388167 /nfs/dbraw/zinc/38/81/67/590388167.db2.gz CSDIWPKTQSFKDR-KLPPZKSPSA-N 1 0 221.300 1.561 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]C2(C)COC2)c1 ZINC000877691563 590393428 /nfs/dbraw/zinc/39/34/28/590393428.db2.gz RKNPYXLPUULOSU-UHFFFAOYSA-N 1 0 237.299 1.669 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)c1ccccc1O ZINC000877755974 590418041 /nfs/dbraw/zinc/41/80/41/590418041.db2.gz VUSGJEOELNAOQC-GHMZBOCLSA-N 1 0 248.326 1.712 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000877811627 590427231 /nfs/dbraw/zinc/42/72/31/590427231.db2.gz RGKFRYFPBHAAOK-NNUKFRKNSA-N 1 0 248.370 1.922 20 10 BDCDRO C[C@@H]([NH2+]CC(=O)N(C)C1CC1)c1ccccc1O ZINC000879649687 590841648 /nfs/dbraw/zinc/84/16/48/590841648.db2.gz SLVDIHOBXQLPCG-SNVBAGLBSA-N 1 0 248.326 1.664 20 10 BDCDRO C[C@@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1O ZINC000879648486 590842388 /nfs/dbraw/zinc/84/23/88/590842388.db2.gz RCVVZUFPHCBRKU-GHMZBOCLSA-N 1 0 249.310 1.996 20 10 BDCDRO O=C(NCc1ccccc1O)[C@H]1CCCC[NH2+]1 ZINC000132520232 591714355 /nfs/dbraw/zinc/71/43/55/591714355.db2.gz HBLZEVQKGCKQJD-LLVKDONJSA-N 1 0 234.299 1.151 20 10 BDCDRO O=C(C[NH2+]Cc1ccccc1O)NC1CCCC1 ZINC000134522711 591934519 /nfs/dbraw/zinc/93/45/19/591934519.db2.gz FQYCASGKRAAXJY-UHFFFAOYSA-N 1 0 248.326 1.541 20 10 BDCDRO C[C@H](O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000136822265 592151818 /nfs/dbraw/zinc/15/18/18/592151818.db2.gz JDVONYTWGVEICU-RYUDHWBXSA-N 1 0 235.327 1.985 20 10 BDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cc(F)ccc1O ZINC000300434971 592512848 /nfs/dbraw/zinc/51/28/48/592512848.db2.gz DNWZVPBYUJOPDC-VHSXEESVSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC000196423292 634379105 /nfs/dbraw/zinc/37/91/05/634379105.db2.gz IJZGPIBXDXORGG-GFCCVEGCSA-N 1 0 221.300 1.657 20 10 BDCDRO CC(C)N(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000226589148 635437119 /nfs/dbraw/zinc/43/71/19/635437119.db2.gz SQEFQTNTSZBMKN-UHFFFAOYSA-N 1 0 240.322 1.961 20 10 BDCDRO CC(C)N(Cc1ccc(N(C)C)cc1)C(=O)C[NH3+] ZINC000076635882 631300583 /nfs/dbraw/zinc/30/05/83/631300583.db2.gz XIHKEHKJTOBQPH-UHFFFAOYSA-N 1 0 249.358 1.448 20 10 BDCDRO COc1ccc(C[NH2+][C@H](C)[C@H](C)O)cc1C ZINC000309936002 632684950 /nfs/dbraw/zinc/68/49/50/632684950.db2.gz ZUSGYLOKECPAIM-MNOVXSKESA-N 1 0 223.316 1.863 20 10 BDCDRO Cc1cccc(C[NH2+]Cc2cc[nH]n2)c1O ZINC000162826265 633040525 /nfs/dbraw/zinc/04/05/25/633040525.db2.gz VYFXWEKFWQXNLB-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO COCC[N@H+](C)Cc1cc(C)cc(OC)c1O ZINC000164208745 633073469 /nfs/dbraw/zinc/07/34/69/633073469.db2.gz LZLHQCOUSGHYCO-UHFFFAOYSA-N 1 0 239.315 1.787 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)C[C@H](C)O)c1O ZINC000164591606 633079471 /nfs/dbraw/zinc/07/94/71/633079471.db2.gz AQYRANUDWXQLOD-MNOVXSKESA-N 1 0 223.316 1.950 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1cc(Cl)ccc1O ZINC000188466351 634146230 /nfs/dbraw/zinc/14/62/30/634146230.db2.gz PKQBXDKRPOWBJT-UHFFFAOYSA-N 1 0 242.706 1.353 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCC[C@@H]1O)CC2 ZINC000296631356 634206915 /nfs/dbraw/zinc/20/69/15/634206915.db2.gz CGOGVPDACVZEKX-TUAOUCFPSA-N 1 0 233.311 1.883 20 10 BDCDRO COc1ccc(CN[C@@H]2CC[NH2+]C2)cc1C ZINC000259155733 635247555 /nfs/dbraw/zinc/24/75/55/635247555.db2.gz VEPXOIYFAXVNAV-GFCCVEGCSA-N 1 0 220.316 1.455 20 10 BDCDRO C[NH2+][C@@H](C)C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000054074799 635345899 /nfs/dbraw/zinc/34/58/99/635345899.db2.gz IRNRFIHDIFMVBR-NSHDSACASA-N 1 0 249.358 1.319 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCN1C ZINC000896593950 636205499 /nfs/dbraw/zinc/20/54/99/636205499.db2.gz DAJBGHDDIBVEJJ-NSHDSACASA-N 1 0 220.316 1.494 20 10 BDCDRO CCOc1cccc(CN(C)CC[NH3+])c1O ZINC000054416733 636635674 /nfs/dbraw/zinc/63/56/74/636635674.db2.gz PMIARZDSCLSGEM-UHFFFAOYSA-N 1 0 224.304 1.181 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000323580017 637094204 /nfs/dbraw/zinc/09/42/04/637094204.db2.gz VGJXPMAPCXAGSA-NDMJEZRESA-N 1 0 237.299 1.111 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCON)cc1 ZINC000904457847 637418910 /nfs/dbraw/zinc/41/89/10/637418910.db2.gz SUKFJIHWUOEUHN-HWKANZROSA-N 1 0 249.358 1.636 20 10 BDCDRO [NH3+][C@H]1C[C@H]([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000906518000 638187601 /nfs/dbraw/zinc/18/76/01/638187601.db2.gz MNIOBRYYZLGTHE-LJGSYFOKSA-N 1 0 244.697 1.764 20 10 BDCDRO [NH3+][C@H]1C[C@H]([NH2+]Cc2cc(Cl)cc(F)c2[O-])C1 ZINC000906518395 638188041 /nfs/dbraw/zinc/18/80/41/638188041.db2.gz YHJOKKWEURQRIP-KYZUINATSA-N 1 0 244.697 1.764 20 10 BDCDRO Oc1ccccc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841090996 639236242 /nfs/dbraw/zinc/23/62/42/639236242.db2.gz RWOFHGRZOGMHLO-GFCCVEGCSA-N 1 0 220.316 1.624 20 10 BDCDRO C[C@H]([NH2+]CC[S@@](C)=O)c1ccccc1O ZINC000163980522 640431280 /nfs/dbraw/zinc/43/12/80/640431280.db2.gz JBMCWKXQRIBUDW-VFZGTOFNSA-N 1 0 227.329 1.421 20 10 BDCDRO Oc1ccc(F)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000226580325 640775439 /nfs/dbraw/zinc/77/54/39/640775439.db2.gz ACRVEIXFSMZIJB-GHMZBOCLSA-N 1 0 236.290 1.183 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1O ZINC000190044056 641061193 /nfs/dbraw/zinc/06/11/93/641061193.db2.gz QDTPTECCMUAFOU-DGCLKSJQSA-N 1 0 235.327 1.903 20 10 BDCDRO COc1cc(C)cc(C[N@H+](C)CCO)c1O ZINC000213009161 641706865 /nfs/dbraw/zinc/70/68/65/641706865.db2.gz GIHUGWXCROVNOF-UHFFFAOYSA-N 1 0 225.288 1.133 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@@H]1O ZINC000190057250 641831571 /nfs/dbraw/zinc/83/15/71/641831571.db2.gz BBXURCOIUWHRRZ-WFASDCNBSA-N 1 0 248.370 1.955 20 10 BDCDRO C[NH2+]CCN(C)Cc1cc(OC)ccc1O ZINC000069800701 642914261 /nfs/dbraw/zinc/91/42/61/642914261.db2.gz WYIWJFWPOIQSTF-UHFFFAOYSA-N 1 0 224.304 1.052 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2ccnn2C)c1 ZINC000071333218 643131968 /nfs/dbraw/zinc/13/19/68/643131968.db2.gz DSFBNFXVJBRCRJ-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cnc[nH]2)c1 ZINC000084080881 643642244 /nfs/dbraw/zinc/64/22/44/643642244.db2.gz JDDIDKAGJFKQCY-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO CC[C@@H]([NH2+][C@@H]1CCCNC1=O)c1ccccc1O ZINC000050394198 643695257 /nfs/dbraw/zinc/69/52/57/643695257.db2.gz QGFJNIYGQRQOOX-VXGBXAGGSA-N 1 0 248.326 1.712 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@]1(C)CCC[NH2+]1 ZINC000079518216 644187679 /nfs/dbraw/zinc/18/76/79/644187679.db2.gz FCLVWEMUQSMNEB-CQSZACIVSA-N 1 0 248.326 1.493 20 10 BDCDRO OCCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000193281879 644231801 /nfs/dbraw/zinc/23/18/01/644231801.db2.gz WAQNTQXOZGXGOG-UHFFFAOYSA-N 1 0 229.707 1.908 20 10 BDCDRO Cc1cc(CN2CC[C@H]([NH3+])C2)ccc1N(C)C ZINC000923281768 644316083 /nfs/dbraw/zinc/31/60/83/644316083.db2.gz PIRVMLVQUQQEEL-ZDUSSCGKSA-N 1 0 233.359 1.594 20 10 BDCDRO Cc1cc(CN2CC[NH2+][C@@H](C)C2)ccc1N(C)C ZINC000923292448 644330078 /nfs/dbraw/zinc/33/00/78/644330078.db2.gz YEWUTJQEOMDNBE-ZDUSSCGKSA-N 1 0 247.386 1.855 20 10 BDCDRO Cc1cc(CN(C)C2C[NH2+]C2)ccc1N(C)C ZINC000923356974 644375835 /nfs/dbraw/zinc/37/58/35/644375835.db2.gz SJPQNEAERCJZKX-UHFFFAOYSA-N 1 0 233.359 1.465 20 10 BDCDRO Cc1cc(CN(C)C[C@H](C)[NH3+])ccc1N(C)C ZINC000923409344 644410454 /nfs/dbraw/zinc/41/04/54/644410454.db2.gz PDAREGAXOFKARK-LBPRGKRZSA-N 1 0 235.375 1.840 20 10 BDCDRO Cc1cc(CN2C[C@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923412918 644414389 /nfs/dbraw/zinc/41/43/89/644414389.db2.gz KYJIUBWCPIEFQH-TZMCWYRMSA-N 1 0 247.386 1.983 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)CC(C)(C)[NH3+] ZINC000084182536 644420768 /nfs/dbraw/zinc/42/07/68/644420768.db2.gz LJSSPKZSAQKXAX-UHFFFAOYSA-N 1 0 236.315 1.478 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC1=[NH+]CCCN1 ZINC000304246832 644883069 /nfs/dbraw/zinc/88/30/69/644883069.db2.gz VXFHYMVYOCQFKC-UHFFFAOYSA-N 1 0 246.358 1.500 20 10 BDCDRO CCC[N@H+](CC(N)=O)Cc1cccc(C)c1O ZINC000383641629 711874087 /nfs/dbraw/zinc/87/40/87/711874087.db2.gz ZYJQZGJOBJYBGT-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO CC(C)[C@@](C)(CO)[NH2+]Cc1ccccc1O ZINC000381471747 710642060 /nfs/dbraw/zinc/64/20/60/710642060.db2.gz MUWADQTTZULQCA-CYBMUJFWSA-N 1 0 223.316 1.889 20 10 BDCDRO OC[C@@H](CC(F)F)[NH2+]Cc1ccccc1O ZINC000381498909 710647410 /nfs/dbraw/zinc/64/74/10/710647410.db2.gz NURFMXZZGUYEBT-SECBINFHSA-N 1 0 231.242 1.498 20 10 BDCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000381647064 710666932 /nfs/dbraw/zinc/66/69/32/710666932.db2.gz BXQSNCFUDXTYLN-VHSXEESVSA-N 1 0 221.300 1.480 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]CC1(O)CCC1)CC2 ZINC000383723281 710882912 /nfs/dbraw/zinc/88/29/12/710882912.db2.gz YTVJJMFAIBYCKJ-NSHDSACASA-N 1 0 233.311 1.884 20 10 BDCDRO C[C@@H](C[NH3+])N(C)Cc1ccc(N(C)C)cc1 ZINC000382973149 710976538 /nfs/dbraw/zinc/97/65/38/710976538.db2.gz HBDCMDUNTCSMBS-NSHDSACASA-N 1 0 221.348 1.532 20 10 BDCDRO COc1ccc(O)c(CN(C)C[C@H](C)[NH3+])c1 ZINC000380690639 712902639 /nfs/dbraw/zinc/90/26/39/712902639.db2.gz IPDXWRWKPHKHHS-VIFPVBQESA-N 1 0 224.304 1.180 20 10 BDCDRO [NH3+][C@H](C(=O)NCc1ccccc1O)C1CCC1 ZINC000399022439 711418875 /nfs/dbraw/zinc/41/88/75/711418875.db2.gz FVPXDCZJOUZNJU-LBPRGKRZSA-N 1 0 234.299 1.136 20 10 BDCDRO Cc1nnc(C[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000392465481 711149019 /nfs/dbraw/zinc/14/90/19/711149019.db2.gz RWYOJCNCOPTDNG-MRVPVSSYSA-N 1 0 232.287 1.670 20 10 BDCDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000722280519 711732092 /nfs/dbraw/zinc/73/20/92/711732092.db2.gz YESPKGIDYSXZQW-SWLSCSKDSA-N 1 0 247.386 1.792 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+]C[C@H]2C)c1 ZINC000722393860 711753716 /nfs/dbraw/zinc/75/37/16/711753716.db2.gz DQHOLLZBCKXPHX-LLVKDONJSA-N 1 0 220.316 1.494 20 10 BDCDRO CO[C@](C)(CO)C[NH2+][C@H](C)c1ccccc1O ZINC000702513506 712054713 /nfs/dbraw/zinc/05/47/13/712054713.db2.gz HVTGDXRGRZUGOZ-MFKMUULPSA-N 1 0 239.315 1.440 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1cc(F)ccc1O ZINC000707593336 712175314 /nfs/dbraw/zinc/17/53/14/712175314.db2.gz HROIXPWZKAUWDK-ATZCPNFKSA-N 1 0 239.290 1.953 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000710086344 712244902 /nfs/dbraw/zinc/24/49/02/712244902.db2.gz YQTUDJSYXSJVCW-LBPRGKRZSA-N 1 0 248.326 1.349 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000710997362 712273748 /nfs/dbraw/zinc/27/37/48/712273748.db2.gz HLRWBJGEOAMDLB-CMPLNLGQSA-N 1 0 221.300 1.825 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccccc1O ZINC000711276736 712292717 /nfs/dbraw/zinc/29/27/17/712292717.db2.gz BZHCWEKDEPYRQH-LLVKDONJSA-N 1 0 248.326 1.254 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1cc(Cl)ccc1O ZINC000379793514 712399409 /nfs/dbraw/zinc/39/94/09/712399409.db2.gz JUOFWLXZINKTNQ-QMMMGPOBSA-N 1 0 228.723 1.825 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c1 ZINC000719647567 712820051 /nfs/dbraw/zinc/82/00/51/712820051.db2.gz NMOMOLVPRBWYSG-DGCLKSJQSA-N 1 0 234.343 1.883 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@@H]2C)c1O ZINC000719647669 712820063 /nfs/dbraw/zinc/82/00/63/712820063.db2.gz NZYNKOBMUYSWPU-DGCLKSJQSA-N 1 0 234.343 1.883 20 10 BDCDRO COc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1C ZINC000720938684 712880583 /nfs/dbraw/zinc/88/05/83/712880583.db2.gz DLBMJNPUUCTAPF-JOCQHMNTSA-N 1 0 235.327 1.864 20 10 BDCDRO Oc1ccccc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001203549893 966682901 /nfs/dbraw/zinc/68/29/01/966682901.db2.gz BRCXKVYZAAQWCB-GFCCVEGCSA-N 1 0 221.300 1.739 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000877607925 983956202 /nfs/dbraw/zinc/95/62/02/983956202.db2.gz OBFIIFDQGUOLJU-MNOVXSKESA-N 1 0 221.300 1.968 20 10 BDCDRO C[C@@H]1CN(Cc2cc(F)c(F)cc2O)C[C@H]1[NH3+] ZINC001206065442 971148710 /nfs/dbraw/zinc/14/87/10/971148710.db2.gz VRUSUHGSPYLATK-RDDDGLTNSA-N 1 0 242.269 1.449 20 10 BDCDRO COc1cccc(N)c1N[C@H]1CC[N@H+](C)C1 ZINC001167278172 957624989 /nfs/dbraw/zinc/62/49/89/957624989.db2.gz ATNQNZHTYZTQKY-VIFPVBQESA-N 1 0 221.304 1.393 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC(C)(O)C2)c1 ZINC001140617104 960460939 /nfs/dbraw/zinc/46/09/39/960460939.db2.gz FEBYWQPWEONQSM-UHFFFAOYSA-N 1 0 207.273 1.267 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1 ZINC001140617709 960462267 /nfs/dbraw/zinc/46/22/67/960462267.db2.gz YPSHBRIGXPQODT-CMPLNLGQSA-N 1 0 225.263 1.215 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC001140743922 960543402 /nfs/dbraw/zinc/54/34/02/960543402.db2.gz DWQGSPICPQEEMD-PHIMTYICSA-N 1 0 219.284 1.858 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC=CC2)c1O ZINC001140741842 960544854 /nfs/dbraw/zinc/54/48/54/960544854.db2.gz DNTZHIAOLPPCLN-UHFFFAOYSA-N 1 0 205.257 1.778 20 10 BDCDRO Cc1c(O)ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC001140742510 960545316 /nfs/dbraw/zinc/54/53/16/960545316.db2.gz QKNQLBOHYIYOHT-KCJUWKMLSA-N 1 0 237.299 1.361 20 10 BDCDRO COCC[N@H+](C)Cc1ccc(O)c(C)c1O ZINC001140742460 960545330 /nfs/dbraw/zinc/54/53/30/960545330.db2.gz PEYVJOSHLWMGIE-UHFFFAOYSA-N 1 0 225.288 1.484 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001140948433 960739611 /nfs/dbraw/zinc/73/96/11/960739611.db2.gz HDWGXMGAGILXEN-NSHDSACASA-N 1 0 234.299 1.150 20 10 BDCDRO CO[C@@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156193 960890376 /nfs/dbraw/zinc/89/03/76/960890376.db2.gz TYLPCWDAKSTYQU-GFCCVEGCSA-N 1 0 237.299 1.709 20 10 BDCDRO CC[NH+]1CCN(Cc2cc(O)ccc2O)CC1 ZINC001141155695 960890710 /nfs/dbraw/zinc/89/07/10/960890710.db2.gz FXLJXGBFGYOMRB-UHFFFAOYSA-N 1 0 236.315 1.235 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CCC3(COC3)CC2)c1 ZINC001141155717 960891585 /nfs/dbraw/zinc/89/15/85/960891585.db2.gz GWQWSTVPAZSGBJ-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(O)ccc2O)C[C@H]1O ZINC001141156597 960892425 /nfs/dbraw/zinc/89/24/25/960892425.db2.gz OFKGXUMWAWJCGO-NOZJJQNGSA-N 1 0 237.299 1.301 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCOC3)C2)c1 ZINC001141156948 960894204 /nfs/dbraw/zinc/89/42/04/960894204.db2.gz YSEIISYANYQBEV-CQSZACIVSA-N 1 0 249.310 1.710 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@@]23CCOC3)c1 ZINC001141160927 960894374 /nfs/dbraw/zinc/89/43/74/960894374.db2.gz JROIYZWMWZADDO-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CC3(CSC3)C2)c1 ZINC001141162104 960896405 /nfs/dbraw/zinc/89/64/05/960896405.db2.gz LIFYRYJQBFSIBU-UHFFFAOYSA-N 1 0 237.324 1.647 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3CCO[C@H]3C2)c1 ZINC001141157693 960897551 /nfs/dbraw/zinc/89/75/51/960897551.db2.gz MRYAJIXMMAIIDL-YGRLFVJLSA-N 1 0 249.310 1.709 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c1 ZINC001141161815 960903471 /nfs/dbraw/zinc/90/34/71/960903471.db2.gz YXBQVBDFAXYOFT-YGRLFVJLSA-N 1 0 249.310 1.709 20 10 BDCDRO Oc1ccc(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1O ZINC001167904954 961732256 /nfs/dbraw/zinc/73/22/56/961732256.db2.gz MQPUEJMYWQNHJO-URLYPYJESA-N 1 0 219.284 1.986 20 10 BDCDRO CNc1ccccc1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168230961 964013797 /nfs/dbraw/zinc/01/37/97/964013797.db2.gz IRVUTPMRYPNTAU-SKDRFNHKSA-N 1 0 223.295 1.840 20 10 BDCDRO Cc1cccc(CNc2cc(N)ncn2)c1O ZINC001160770097 964409363 /nfs/dbraw/zinc/40/93/63/964409363.db2.gz QIMSQONTEFPWHN-UHFFFAOYSA-N 1 0 230.271 1.685 20 10 BDCDRO COc1cccc(N)c1N[C@@H]1CC[NH2+][C@@H]1C ZINC001162677847 965109962 /nfs/dbraw/zinc/10/99/62/965109962.db2.gz SLAOZJQAYXQJKD-PSASIEDQSA-N 1 0 221.304 1.440 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)C2(CO)CC2)c1O ZINC000696064440 965229330 /nfs/dbraw/zinc/22/93/30/965229330.db2.gz VUEOKZWBDXQVIM-NSHDSACASA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1ccc(O)c(O)c1 ZINC001205064644 965288211 /nfs/dbraw/zinc/28/82/11/965288211.db2.gz UCUUUJODDXUWQC-ONGXEEELSA-N 1 0 236.315 1.409 20 10 BDCDRO CN1CCOc2ccc(N3CC[C@@H]([NH3+])C3)cc21 ZINC001164289216 965830768 /nfs/dbraw/zinc/83/07/68/965830768.db2.gz WAYPLGOIAZABKC-SNVBAGLBSA-N 1 0 233.315 1.053 20 10 BDCDRO [NH3+][C@@H]1CCN(c2ccc([C@H]3CCC(=O)N3)cc2)C1 ZINC001164287971 965832790 /nfs/dbraw/zinc/83/27/90/965832790.db2.gz LCJHYCFVMXEZKQ-DGCLKSJQSA-N 1 0 245.326 1.175 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997654 966222085 /nfs/dbraw/zinc/22/20/85/966222085.db2.gz WNXFZBNAQDGVKN-TZMCWYRMSA-N 1 0 232.327 1.624 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@@H]1CCCC[C@@H]1[NH3+] ZINC001236219840 966314577 /nfs/dbraw/zinc/31/45/77/966314577.db2.gz XQDPQULKPXFGKF-UONOGXRCSA-N 1 0 233.359 1.971 20 10 BDCDRO CCOc1cccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c1O ZINC001236286200 966338221 /nfs/dbraw/zinc/33/82/21/966338221.db2.gz LTCBRTGHWYZCHS-NWDGAFQWSA-N 1 0 248.326 1.195 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001203550179 966672882 /nfs/dbraw/zinc/67/28/82/966672882.db2.gz KKYUKIYQHCOWJI-PWSUYJOCSA-N 1 0 225.263 1.297 20 10 BDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccccc2O)C1 ZINC001203550390 966680663 /nfs/dbraw/zinc/68/06/63/966680663.db2.gz UJNOWPNJKQMBCG-JQWIXIFHSA-N 1 0 221.300 1.595 20 10 BDCDRO OC[C@H]1C[C@H](F)C[N@H+](Cc2ccccc2O)C1 ZINC001203550540 966680754 /nfs/dbraw/zinc/68/07/54/966680754.db2.gz YOYRMYQIVYDFJG-JQWIXIFHSA-N 1 0 239.290 1.545 20 10 BDCDRO Oc1ccccc1C[N@H+]1CC[C@@H](O)[C@H](F)CC1 ZINC001203550489 966684089 /nfs/dbraw/zinc/68/40/89/966684089.db2.gz VZVIWORKPTVCBF-DGCLKSJQSA-N 1 0 239.290 1.687 20 10 BDCDRO Oc1ccccc1C[N@H+]1CC[C@@H](O)[C@@H](F)CC1 ZINC001203550490 966684816 /nfs/dbraw/zinc/68/48/16/966684816.db2.gz VZVIWORKPTVCBF-WCQYABFASA-N 1 0 239.290 1.687 20 10 BDCDRO Oc1ccccc1CN1CC([NH+]2CCCC2)C1 ZINC001203556457 966688353 /nfs/dbraw/zinc/68/83/53/966688353.db2.gz QOFSEHJTCKBCQM-UHFFFAOYSA-N 1 0 232.327 1.672 20 10 BDCDRO CC(=O)N1CC[N@@H+](Cc2ccccc2O)C[C@H]1C ZINC001203558257 966689204 /nfs/dbraw/zinc/68/92/04/966689204.db2.gz APLZZHSEVZYDEY-LLVKDONJSA-N 1 0 248.326 1.445 20 10 BDCDRO COc1cccc(C[NH+]2CC3(CC(O)C3)C2)c1O ZINC001203584915 966694626 /nfs/dbraw/zinc/69/46/26/966694626.db2.gz JTFZNHBONIQPNR-UHFFFAOYSA-N 1 0 249.310 1.358 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@@H](C(C)=O)C2)c1O ZINC001203600236 966698774 /nfs/dbraw/zinc/69/87/74/966698774.db2.gz YNOQMCSTBYLVQY-LLVKDONJSA-N 1 0 249.310 1.812 20 10 BDCDRO OC[C@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874033 966804996 /nfs/dbraw/zinc/80/49/96/966804996.db2.gz LQQKBYREDKSMEA-LLVKDONJSA-N 1 0 237.299 1.445 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@H]1O ZINC001203876050 966805293 /nfs/dbraw/zinc/80/52/93/966805293.db2.gz ZZRZTMACERZEII-NOZJJQNGSA-N 1 0 237.299 1.301 20 10 BDCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(O)c(O)c3)C[C@H]12 ZINC001203879987 966805865 /nfs/dbraw/zinc/80/58/65/966805865.db2.gz LFLLGUXPRIDPGN-GLXFQSAKSA-N 1 0 249.310 1.565 20 10 BDCDRO Oc1ccc(C[NH+]2CC3CC(C3)C2)cc1O ZINC001203879802 966806131 /nfs/dbraw/zinc/80/61/31/966806131.db2.gz FIXZDBBUUJRKNW-UHFFFAOYSA-N 1 0 219.284 1.940 20 10 BDCDRO Oc1ccc(C[NH+]2CCC3(COC3)CC2)cc1O ZINC001203874402 966806305 /nfs/dbraw/zinc/80/63/05/966806305.db2.gz WEWPGXFWEMYCPO-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO Oc1ccc(CN2CC[NH+]3CCC2CC3)cc1O ZINC001203879243 966807008 /nfs/dbraw/zinc/80/70/08/966807008.db2.gz HFMUGGUVUZDWLF-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO C[C@H]1COCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874675 966807052 /nfs/dbraw/zinc/80/70/52/966807052.db2.gz BHKOVTLKXSDGSK-SNVBAGLBSA-N 1 0 237.299 1.566 20 10 BDCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203882935 966810367 /nfs/dbraw/zinc/81/03/67/966810367.db2.gz XQZOKHJJDXKSJP-CYBMUJFWSA-N 1 0 237.299 1.445 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC3(CC(O)C3)C2)cc1 ZINC001203930350 966824821 /nfs/dbraw/zinc/82/48/21/966824821.db2.gz SSTUVGXTPNZTLP-UHFFFAOYSA-N 1 0 246.354 1.709 20 10 BDCDRO C[NH+](C)[C@H]1CCN(Cc2ccc(O)cc2O)C1 ZINC001204272301 966954511 /nfs/dbraw/zinc/95/45/11/966954511.db2.gz MPXYHZSLXSCRKH-NSHDSACASA-N 1 0 236.315 1.234 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CCCO1 ZINC001204273068 966954835 /nfs/dbraw/zinc/95/48/35/966954835.db2.gz WHPRQJHZOAICLC-JTQLQIEISA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1ccc(CN2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC001204276966 966959248 /nfs/dbraw/zinc/95/92/48/966959248.db2.gz USUDNQZAXXXXEX-GHMZBOCLSA-N 1 0 241.262 1.003 20 10 BDCDRO CC[N@H+](Cc1ccc(O)cc1O)C1CN(C)C1 ZINC001204277890 966961624 /nfs/dbraw/zinc/96/16/24/966961624.db2.gz NSUSJXKUZJFKAU-UHFFFAOYSA-N 1 0 236.315 1.234 20 10 BDCDRO CC[N@H+](C)Cc1cc(O)c(O)c(OC)c1 ZINC001204340246 966974346 /nfs/dbraw/zinc/97/43/46/966974346.db2.gz JGHIXSRUYAQWIT-UHFFFAOYSA-N 1 0 211.261 1.558 20 10 BDCDRO [NH3+][C@H]1CN(Cc2cccc(F)c2O)C[C@H]1F ZINC001204820546 967186629 /nfs/dbraw/zinc/18/66/29/967186629.db2.gz RLTZZDLGZYWFLA-ZJUUUORDSA-N 1 0 228.242 1.012 20 10 BDCDRO CCc1ccc(CN2CC[C@@H]([NH3+])[C@H]2C)c(O)c1 ZINC001205197636 967423154 /nfs/dbraw/zinc/42/31/54/967423154.db2.gz WZUSNPQJJAWJKA-ZWNOBZJWSA-N 1 0 234.343 1.876 20 10 BDCDRO C[C@@H]1C[NH2+]CCN(Cc2ccc(N)cc2)C1 ZINC001206276497 968189380 /nfs/dbraw/zinc/18/93/80/968189380.db2.gz FITYPILWBLRVSL-LLVKDONJSA-N 1 0 219.332 1.310 20 10 BDCDRO COc1cc(F)c(N2CC[C@H]([NH3+])C2)c(OC)c1 ZINC001164282175 968208568 /nfs/dbraw/zinc/20/85/68/968208568.db2.gz UKNGJKZUUHRELY-QMMMGPOBSA-N 1 0 240.278 1.380 20 10 BDCDRO Cc1cc2c(cc1N1CC[C@@H]([NH3+])C1)CC(=O)N2 ZINC001164286880 968210158 /nfs/dbraw/zinc/21/01/58/968210158.db2.gz YTIDLKBTVXIRDF-SNVBAGLBSA-N 1 0 231.299 1.027 20 10 BDCDRO Cc1c(O)ccc(CN2CC(C)(C[NH3+])C2)c1O ZINC001206722874 968441333 /nfs/dbraw/zinc/44/13/33/968441333.db2.gz HRPRTPFMZJFTCK-UHFFFAOYSA-N 1 0 236.315 1.187 20 10 BDCDRO CCc1ccc(CN2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206738285 968451691 /nfs/dbraw/zinc/45/16/91/968451691.db2.gz ZAKYCSXEEKBGBM-UHFFFAOYSA-N 1 0 234.343 1.735 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](CO)C(C)C)c(O)c1 ZINC001207861968 968908435 /nfs/dbraw/zinc/90/84/35/968908435.db2.gz MWFNNOSJTLBTAJ-LBPRGKRZSA-N 1 0 223.316 1.807 20 10 BDCDRO COCC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001209210682 969400357 /nfs/dbraw/zinc/40/03/57/969400357.db2.gz DTLUZFCYVSLYTK-UHFFFAOYSA-N 1 0 237.299 1.492 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C)c1 ZINC000723686076 970004055 /nfs/dbraw/zinc/00/40/55/970004055.db2.gz LPVLETOXNNJMFF-OKILXGFUSA-N 1 0 246.354 1.979 20 10 BDCDRO CCc1cccc(C[NH2+]C2(CO)CCC2)c1O ZINC000691494951 970032354 /nfs/dbraw/zinc/03/23/54/970032354.db2.gz QSSPBLUZQUNYSP-UHFFFAOYSA-N 1 0 235.327 1.959 20 10 BDCDRO C[C@@H](NCc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]1 ZINC000400714369 970619994 /nfs/dbraw/zinc/61/99/94/970619994.db2.gz FHLTUKRMAUATTN-IUODEOHRSA-N 1 0 247.386 1.983 20 10 BDCDRO C[C@H](NCc1ccc(N(C)C)cc1)[C@H]1CCC[NH2+]1 ZINC000400714372 970620740 /nfs/dbraw/zinc/62/07/40/970620740.db2.gz FHLTUKRMAUATTN-SWLSCSKDSA-N 1 0 247.386 1.983 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000402034283 970758292 /nfs/dbraw/zinc/75/82/92/970758292.db2.gz CHRMXFAJHIHYHB-ZYHUDNBSSA-N 1 0 221.300 1.968 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCCCC2)c(O)c1 ZINC001144500623 972847119 /nfs/dbraw/zinc/84/71/19/972847119.db2.gz WXBYKUPDAAOUPE-UHFFFAOYSA-N 1 0 223.272 1.789 20 10 BDCDRO CC1C[NH+](Cc2c(O)cc(O)cc2O)C1 ZINC001144499514 972847171 /nfs/dbraw/zinc/84/71/71/972847171.db2.gz HNDRUZPCSKVSNB-UHFFFAOYSA-N 1 0 209.245 1.255 20 10 BDCDRO C[NH2+]C[C@@H](C)C[NH2+]Cc1cccc(Cl)c1[O-] ZINC001328677168 973256302 /nfs/dbraw/zinc/25/63/02/973256302.db2.gz KQSVZHGVWRBQCB-SECBINFHSA-N 1 0 242.750 1.991 20 10 BDCDRO CN(c1ccc2c(c1)CCO2)C(C)(C)C[NH3+] ZINC000258943559 975280012 /nfs/dbraw/zinc/28/00/12/975280012.db2.gz WIGJZODBXNBHSL-UHFFFAOYSA-N 1 0 220.316 1.795 20 10 BDCDRO CC1(C)OC[C@H]2C[C@]21[NH2+]Cc1ccc(N)cc1 ZINC001334753957 976620138 /nfs/dbraw/zinc/62/01/38/976620138.db2.gz KGWMABICENWHJI-RISCZKNCSA-N 1 0 232.327 1.926 20 10 BDCDRO Nc1ccc(CNC[C@@H]2CCC[NH2+]2)cc1 ZINC001335287764 976930200 /nfs/dbraw/zinc/93/02/00/976930200.db2.gz AXLXCSKYBFUZCJ-LBPRGKRZSA-N 1 0 205.305 1.110 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1cccc(C)c1O ZINC001231595126 977643040 /nfs/dbraw/zinc/64/30/40/977643040.db2.gz SVQXWYPHSYMJRH-UHFFFAOYSA-N 1 0 237.299 1.696 20 10 BDCDRO COC(C[N@H+](C)Cc1cccc(C)c1O)OC ZINC001231593960 977643630 /nfs/dbraw/zinc/64/36/30/977643630.db2.gz QEUILWRKJJRDNA-UHFFFAOYSA-N 1 0 239.315 1.751 20 10 BDCDRO Oc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc(O)c1O ZINC001233014374 978412914 /nfs/dbraw/zinc/41/29/14/978412914.db2.gz RUJGOWPEKJMANI-DTORHVGOSA-N 1 0 221.256 1.255 20 10 BDCDRO C[N@H+](Cc1cc(O)c(O)cc1O)[C@H]1CCOC1 ZINC001233485744 978611092 /nfs/dbraw/zinc/61/10/92/978611092.db2.gz JIHLTIBVVPMJDT-VIFPVBQESA-N 1 0 239.271 1.024 20 10 BDCDRO CSCC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233487241 978611970 /nfs/dbraw/zinc/61/19/70/978611970.db2.gz VYSCJUCFZWQTLB-UHFFFAOYSA-N 1 0 243.328 1.598 20 10 BDCDRO C[C@@H]1C[NH+](Cc2ccc(O)cc2O)C[C@@H](C)O1 ZINC001204272062 978897259 /nfs/dbraw/zinc/89/72/59/978897259.db2.gz JBPYCJZCPNLTFH-NXEZZACHSA-N 1 0 237.299 1.707 20 10 BDCDRO [NH3+][C@@H]1C[C@@H](F)CN(Cc2cc(F)ccc2O)C1 ZINC001206424680 978915418 /nfs/dbraw/zinc/91/54/18/978915418.db2.gz RPCBHZSMJAWIKC-GHMZBOCLSA-N 1 0 242.269 1.402 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(O)cc1O)C2 ZINC001235165523 978985721 /nfs/dbraw/zinc/98/57/21/978985721.db2.gz KFADFMJIIHOZLT-GXFFZTMASA-N 1 0 234.299 1.021 20 10 BDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001235978736 979253829 /nfs/dbraw/zinc/25/38/29/979253829.db2.gz JZAZPASSBGNERX-GXFFZTMASA-N 1 0 234.299 1.021 20 10 BDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1cc(O)ccc1O)C2 ZINC001235991231 979280031 /nfs/dbraw/zinc/28/00/31/979280031.db2.gz KSLPVTZRHNSMLL-GWCFXTLKSA-N 1 0 234.299 1.021 20 10 BDCDRO CCN(Cc1ccccc1O)C[C@@H](C)[NH3+] ZINC001236043922 979338925 /nfs/dbraw/zinc/33/89/25/979338925.db2.gz GFBLUFBMFLSWAK-SNVBAGLBSA-N 1 0 208.305 1.561 20 10 BDCDRO COc1cc(C)c(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236171998 979429824 /nfs/dbraw/zinc/42/98/24/979429824.db2.gz AORQIRYNNMUMRP-SNVBAGLBSA-N 1 0 236.315 1.242 20 10 BDCDRO C[N@H+](CCO)Cc1ccc(Cl)cc1O ZINC001236255548 979477272 /nfs/dbraw/zinc/47/72/72/979477272.db2.gz PPDLCLVPQNIHMZ-UHFFFAOYSA-N 1 0 215.680 1.470 20 10 BDCDRO Nc1ccc(CNC(=O)CC[NH2+]CC2CC2)cc1 ZINC001341924029 979592304 /nfs/dbraw/zinc/59/23/04/979592304.db2.gz QLLWHDPPBYKZOH-UHFFFAOYSA-N 1 0 247.342 1.275 20 10 BDCDRO Nc1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC001342020055 979623563 /nfs/dbraw/zinc/62/35/63/979623563.db2.gz HPMCHVLHAHLSDX-UHFFFAOYSA-N 1 0 247.342 1.404 20 10 BDCDRO COc1cc(O)c(C[NH+]2CC=CC2)cc1OC ZINC001236751043 979723506 /nfs/dbraw/zinc/72/35/06/979723506.db2.gz OHAVGORMZVUPLR-UHFFFAOYSA-N 1 0 235.283 1.781 20 10 BDCDRO CCc1ccc(C[NH+]2CCN(C)CC2)c(O)c1 ZINC001236784387 979729319 /nfs/dbraw/zinc/72/93/19/979729319.db2.gz VXHUBELVYNTIJM-UHFFFAOYSA-N 1 0 234.343 1.702 20 10 BDCDRO COc1cc(C)c(C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001236812617 979739364 /nfs/dbraw/zinc/73/93/64/979739364.db2.gz AEIULPDPYRRINT-SNVBAGLBSA-N 1 0 237.299 1.276 20 10 BDCDRO C[NH2+]C1CC(C(=O)N[C@H](C)c2ccccc2O)C1 ZINC001342405429 979791537 /nfs/dbraw/zinc/79/15/37/979791537.db2.gz PEFRDIRTYXARKA-KPPDAEKUSA-N 1 0 248.326 1.567 20 10 BDCDRO C[NH2+]C1CC(C(=O)N[C@@H](C)c2ccccc2O)C1 ZINC001342405432 979792211 /nfs/dbraw/zinc/79/22/11/979792211.db2.gz PEFRDIRTYXARKA-WHXUTIOJSA-N 1 0 248.326 1.567 20 10 BDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1c(O)cccc1F ZINC001342538438 979823257 /nfs/dbraw/zinc/82/32/57/979823257.db2.gz YQWPZTIGHLBFLZ-SNVBAGLBSA-N 1 0 240.278 1.146 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H]1C(N)=O ZINC001237480999 979908349 /nfs/dbraw/zinc/90/83/49/979908349.db2.gz BRDFSWXZSRUEAC-NSHDSACASA-N 1 0 234.299 1.150 20 10 BDCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1c(C)cccc1O ZINC001237494900 979914863 /nfs/dbraw/zinc/91/48/63/979914863.db2.gz MPLDZBHGBFSGFH-STQMWFEESA-N 1 0 246.354 1.979 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](C)CC1COC1 ZINC001237487878 979917934 /nfs/dbraw/zinc/91/79/34/979917934.db2.gz OAFFNFOFBPMZDK-UHFFFAOYSA-N 1 0 221.300 1.779 20 10 BDCDRO COC(C[N@H+](C)Cc1c(C)cccc1O)OC ZINC001237487684 979919797 /nfs/dbraw/zinc/91/97/97/979919797.db2.gz KNZCOEUKHRWSBN-UHFFFAOYSA-N 1 0 239.315 1.751 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CCC[C@H]2[NH3+])cc1 ZINC001343473129 980119815 /nfs/dbraw/zinc/11/98/15/980119815.db2.gz LDRMDAISYYDJME-NWDGAFQWSA-N 1 0 233.315 1.012 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC001238060147 980134697 /nfs/dbraw/zinc/13/46/97/980134697.db2.gz FUIHDSZXVKRFTE-CABZTGNLSA-N 1 0 239.290 1.652 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875820 982558022 /nfs/dbraw/zinc/55/80/22/982558022.db2.gz WKJBFTLGZWXLLB-GXSJLCMTSA-N 1 0 237.299 1.301 20 10 BDCDRO Nc1ccc(CN[C@H](C[NH3+])C(F)(F)F)cc1 ZINC001352791530 982582567 /nfs/dbraw/zinc/58/25/67/982582567.db2.gz WZBOATSQAVFJOR-SECBINFHSA-N 1 0 233.237 1.248 20 10 BDCDRO C[C@@H]1CCN(Cc2cccc(F)c2O)C[C@@H]1[NH3+] ZINC001205868488 982947720 /nfs/dbraw/zinc/94/77/20/982947720.db2.gz GIUCHDGRZOEUNQ-SKDRFNHKSA-N 1 0 238.306 1.700 20 10 BDCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC001357499382 983730779 /nfs/dbraw/zinc/73/07/79/983730779.db2.gz MVANYLPHUUEKEL-QJPTWQEYSA-N 1 0 246.310 1.149 20 10 BDCDRO C[C@H](CC[NH3+])[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001575962376 984144501 /nfs/dbraw/zinc/14/45/01/984144501.db2.gz QQPLOQBCXJLKPY-SSDOTTSWSA-N 1 0 230.258 1.497 20 10 BDCDRO C[NH2+]CCN(C)Cc1cc(F)c(F)cc1O ZINC001578704180 985304921 /nfs/dbraw/zinc/30/49/21/985304921.db2.gz OQNZRULONNIOHS-UHFFFAOYSA-N 1 0 230.258 1.322 20 10 BDCDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccccc1O ZINC000688046039 985526079 /nfs/dbraw/zinc/52/60/79/985526079.db2.gz GWKYORWWPOBGNY-GXSJLCMTSA-N 1 0 207.273 1.517 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H](O)C(C)(C)O)c1ccccc1O ZINC001460635123 985868532 /nfs/dbraw/zinc/86/85/32/985868532.db2.gz BKCZUCCJJUHGBR-BXKDBHETSA-N 1 0 239.315 1.175 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@@H](O)C2)c(O)c1 ZINC001462203783 986311492 /nfs/dbraw/zinc/31/14/92/986311492.db2.gz YANIUUQRYWXAEB-FZMZJTMJSA-N 1 0 235.327 1.903 20 10 BDCDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001473429589 987434959 /nfs/dbraw/zinc/43/49/59/987434959.db2.gz XIMMUXNIYOWPNN-TZMCWYRMSA-N 1 0 248.370 1.955 20 10 BDCDRO Cc1cc(C)c(CN[C@H]2CCC[NH2+]C2)c(O)c1 ZINC001246341620 987753799 /nfs/dbraw/zinc/75/37/99/987753799.db2.gz BEZQVAISZTZMDI-LBPRGKRZSA-N 1 0 234.343 1.851 20 10 BDCDRO Oc1cccc2c1CN([C@H]1CCC[NH2+]C1)CC2 ZINC001246866734 988621823 /nfs/dbraw/zinc/62/18/23/988621823.db2.gz CSTWVFPXMRQRBP-LBPRGKRZSA-N 1 0 232.327 1.502 20 10 BDCDRO COC(=O)Cc1ccc(C[N@@H+]2CC[C@H]2C)c(O)c1 ZINC001249178942 989264277 /nfs/dbraw/zinc/26/42/77/989264277.db2.gz WMSFNILGIOYYHP-SNVBAGLBSA-N 1 0 249.310 1.702 20 10 BDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2NC1C[NH2+]C1 ZINC001326034894 989330236 /nfs/dbraw/zinc/33/02/36/989330236.db2.gz BCZCJMCPWLMTPT-ONGXEEELSA-N 1 0 232.327 1.810 20 10 BDCDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccc(N(C)C)cc1 ZINC001119743374 989377714 /nfs/dbraw/zinc/37/77/14/989377714.db2.gz JCNLCOZVSQFAFI-JTQLQIEISA-N 1 0 237.303 1.680 20 10 BDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001524009766 989967037 /nfs/dbraw/zinc/96/70/37/989967037.db2.gz VPHOAAYPBXYNAP-ZWNOBZJWSA-N 1 0 247.342 1.273 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])cc1 ZINC001122540966 990410887 /nfs/dbraw/zinc/41/08/87/990410887.db2.gz YBDASGQLHPEJGN-QWHCGFSZSA-N 1 0 247.342 1.403 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001140178167 991551439 /nfs/dbraw/zinc/55/14/39/991551439.db2.gz BKRAPPQHRALRBH-NWDGAFQWSA-N 1 0 239.290 1.524 20 10 BDCDRO CCC[C@H]1C(=O)NCCN1Cc1ccc(N)cc1 ZINC001262488023 992892277 /nfs/dbraw/zinc/89/22/77/992892277.db2.gz NHJHSUKEKXTZIF-ZDUSSCGKSA-N 1 0 247.342 1.369 20 10 BDCDRO CCN1CC[C@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC000389147133 993737136 /nfs/dbraw/zinc/73/71/36/993737136.db2.gz IMUGQMJCRFNXAC-NSHDSACASA-N 1 0 236.315 1.282 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](CO)C2)cc1C ZINC000092763681 178195434 /nfs/dbraw/zinc/19/54/34/178195434.db2.gz HJMOCFLFBFEXLT-LBPRGKRZSA-N 1 0 235.327 1.823 20 10 BDCDRO CC[NH+]1CCN(Cc2ccc(O)cc2O)CC1 ZINC000043151378 343464421 /nfs/dbraw/zinc/46/44/21/343464421.db2.gz NNSMNGHJYZNICL-UHFFFAOYSA-N 1 0 236.315 1.235 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000092470831 345622185 /nfs/dbraw/zinc/62/21/85/345622185.db2.gz FXJMCFLFQDTULY-CYBMUJFWSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H]([C@H](C)O)C2)c1O ZINC000272568232 179082397 /nfs/dbraw/zinc/08/23/97/179082397.db2.gz VHBPEGLBXDRAEN-NWDGAFQWSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[NH2+]CCc2cn[nH]c2)c1O ZINC000291702579 179092889 /nfs/dbraw/zinc/09/28/89/179092889.db2.gz ZDNZRLWNPQFBQC-UHFFFAOYSA-N 1 0 231.299 1.756 20 10 BDCDRO CC1(C)C[N@H+](Cc2ccccc2O)CC[C@@H]1O ZINC000275838246 351606781 /nfs/dbraw/zinc/60/67/81/351606781.db2.gz GNNPGQXEHTXDGN-ZDUSSCGKSA-N 1 0 235.327 1.985 20 10 BDCDRO Cc1noc(C)c1N(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000638000680 351877252 /nfs/dbraw/zinc/87/72/52/351877252.db2.gz NZMFUSTWMNPKGH-JTQLQIEISA-N 1 0 235.287 1.302 20 10 BDCDRO [NH3+][C@H]1CC=C(C(=O)N2CCc3c2cccc3F)C1 ZINC000638282049 352120363 /nfs/dbraw/zinc/12/03/63/352120363.db2.gz XKENLVIFNAGAAJ-JTQLQIEISA-N 1 0 246.285 1.762 20 10 BDCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCNc3ccccc32)C1 ZINC000638238144 352088940 /nfs/dbraw/zinc/08/89/40/352088940.db2.gz SQBLJTYGRZIPJK-LLVKDONJSA-N 1 0 243.310 1.493 20 10 BDCDRO CO[C@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000191208366 353448586 /nfs/dbraw/zinc/44/85/86/353448586.db2.gz PYIHIPXTZDBWOK-MRVPVSSYSA-N 1 0 239.271 1.245 20 10 BDCDRO CC(C)(C[NH2+][C@H]1CCc2cccc(O)c21)C(N)=O ZINC000296766393 364785511 /nfs/dbraw/zinc/78/55/11/364785511.db2.gz KIAICKZQGBIELF-JTQLQIEISA-N 1 0 248.326 1.481 20 10 BDCDRO Nc1ccc(CC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000237948320 181456606 /nfs/dbraw/zinc/45/66/06/181456606.db2.gz CGLDZCIHOVNEGA-CYBMUJFWSA-N 1 0 247.342 1.151 20 10 BDCDRO OC[C@@H]1CC[C@H](C[NH2+]Cc2ccccc2O)O1 ZINC000292746764 183124428 /nfs/dbraw/zinc/12/44/28/183124428.db2.gz QZMRUAVGRGGPMP-NEPJUHHUSA-N 1 0 237.299 1.022 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000364506965 183302142 /nfs/dbraw/zinc/30/21/42/183302142.db2.gz HHSNOSAITZGYSQ-LBPRGKRZSA-N 1 0 244.298 1.431 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000087689765 183303223 /nfs/dbraw/zinc/30/32/23/183303223.db2.gz LMGIFYVRRWQZES-WZRBSPASSA-N 1 0 219.284 1.802 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000375803998 183303885 /nfs/dbraw/zinc/30/38/85/183303885.db2.gz GEVCGDICECNESJ-CNDDSTCGSA-N 1 0 219.284 1.374 20 10 BDCDRO Oc1ccccc1C[NH2+]Cc1cc[nH]n1 ZINC000041014071 183303971 /nfs/dbraw/zinc/30/39/71/183303971.db2.gz TTXYWMVCWUSPLH-UHFFFAOYSA-N 1 0 203.245 1.405 20 10 BDCDRO CCCN(Cc1ccccc1O)[C@H]1CC[NH2+]C1 ZINC000071314717 169179810 /nfs/dbraw/zinc/17/98/10/169179810.db2.gz CNQSVLXFNOKJTI-ZDUSSCGKSA-N 1 0 234.343 1.966 20 10 BDCDRO CCC[N@H+](Cc1ccccc1O)[C@H]1CCOC1=O ZINC000076074462 169178746 /nfs/dbraw/zinc/17/87/46/169178746.db2.gz TVXNBXNKAUNTTF-LBPRGKRZSA-N 1 0 249.310 1.920 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)CC(C)(C)O)c1 ZINC000093414689 384236886 /nfs/dbraw/zinc/23/68/86/384236886.db2.gz BJMUBQTUEMGUFP-UHFFFAOYSA-N 1 0 223.316 1.903 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)c1cnn(C)c1 ZINC000135192505 384421675 /nfs/dbraw/zinc/42/16/75/384421675.db2.gz YKXHMFXHNJGHDZ-JTQLQIEISA-N 1 0 231.299 1.977 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1cccc(C)c1O ZINC000162707492 384671942 /nfs/dbraw/zinc/67/19/42/384671942.db2.gz OGZPYHXVMOFFQT-LBPRGKRZSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000083216068 384752843 /nfs/dbraw/zinc/75/28/43/384752843.db2.gz XZLJDFQLWLQPHY-QWRGUYRKSA-N 1 0 223.316 1.980 20 10 BDCDRO CCN(C)CC[NH2+]Cc1cc(OC)ccc1O ZINC000054110038 384821638 /nfs/dbraw/zinc/82/16/38/384821638.db2.gz KWZSUBWUUTWEMZ-UHFFFAOYSA-N 1 0 238.331 1.442 20 10 BDCDRO CCN(C)CC[NH2+]Cc1cccc(OC)c1O ZINC000054109900 384823060 /nfs/dbraw/zinc/82/30/60/384823060.db2.gz LUTYLGZTIPELIF-UHFFFAOYSA-N 1 0 238.331 1.442 20 10 BDCDRO C/C=C/C[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000186534919 384851622 /nfs/dbraw/zinc/85/16/22/384851622.db2.gz ADFDMLPOGHAZDT-QAVQXKDTSA-N 1 0 239.290 1.948 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[S@@](C)=O)c1 ZINC000164301496 384958471 /nfs/dbraw/zinc/95/84/71/384958471.db2.gz VZIPTOJJZANOFJ-HWPZZCPQSA-N 1 0 241.356 1.557 20 10 BDCDRO CC(C)[C@H](C(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000062461296 385173708 /nfs/dbraw/zinc/17/37/08/385173708.db2.gz SBNLBKPBQKOKLN-GFCCVEGCSA-N 1 0 235.331 1.794 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1cc(C)ccc1O ZINC000131722586 385356222 /nfs/dbraw/zinc/35/62/22/385356222.db2.gz ZLQWZRKNXMUUNK-LBPRGKRZSA-N 1 0 223.316 1.951 20 10 BDCDRO CCOc1cccc(C[NH2+]CCCCO)c1O ZINC000193282975 385391229 /nfs/dbraw/zinc/39/12/29/385391229.db2.gz SFOMVONLTQGYRB-UHFFFAOYSA-N 1 0 239.315 1.653 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000157067830 385484552 /nfs/dbraw/zinc/48/45/52/385484552.db2.gz HNNNCGLMDAAQFR-GFCCVEGCSA-N 1 0 247.342 1.060 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](C)CCCO)c1 ZINC000281797411 385702738 /nfs/dbraw/zinc/70/27/38/385702738.db2.gz OPQPQCMEFXYIMW-UHFFFAOYSA-N 1 0 209.289 1.515 20 10 BDCDRO CCOc1cccc(C[N@H+](CC)CCO)c1O ZINC000270986580 385768191 /nfs/dbraw/zinc/76/81/91/385768191.db2.gz GHDNMUFNGFHNTH-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000271091707 385784273 /nfs/dbraw/zinc/78/42/73/385784273.db2.gz LCANGIFNLCIULO-NSHDSACASA-N 1 0 237.299 1.358 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC000272355110 385898218 /nfs/dbraw/zinc/89/82/18/385898218.db2.gz DQWGERXUKJTDKS-ZANVPECISA-N 1 0 239.290 1.734 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000296026750 386123679 /nfs/dbraw/zinc/12/36/79/386123679.db2.gz SMCBTWJNNKXQTI-GARJFASQSA-N 1 0 221.300 1.875 20 10 BDCDRO C[C@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000226617983 386343687 /nfs/dbraw/zinc/34/36/87/386343687.db2.gz AYWIXZYERFAXMN-LBPRGKRZSA-N 1 0 225.263 1.800 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c(O)c1 ZINC000295851586 386708851 /nfs/dbraw/zinc/70/88/51/386708851.db2.gz DYLBHEQSEROZOG-GARJFASQSA-N 1 0 221.300 1.875 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1O ZINC000295972589 386705730 /nfs/dbraw/zinc/70/57/30/386705730.db2.gz NZAITOBZQDNQSU-BBBLOLIVSA-N 1 0 207.273 1.566 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1O ZINC000295972591 386706357 /nfs/dbraw/zinc/70/63/57/386706357.db2.gz NZAITOBZQDNQSU-LPEHRKFASA-N 1 0 207.273 1.566 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1 ZINC000368135265 386945700 /nfs/dbraw/zinc/94/57/00/386945700.db2.gz PDZODWCSPJRYLS-LLVKDONJSA-N 1 0 248.326 1.398 20 10 BDCDRO C[C@H]([NH2+]Cc1cnnn1C)c1ccccc1O ZINC000287465635 387444908 /nfs/dbraw/zinc/44/49/08/387444908.db2.gz WBXCVXXDJHWYIQ-VIFPVBQESA-N 1 0 232.287 1.372 20 10 BDCDRO C[C@@H]([NH2+]Cc1cnnn1C)c1ccccc1O ZINC000287465632 387445656 /nfs/dbraw/zinc/44/56/56/387445656.db2.gz WBXCVXXDJHWYIQ-SECBINFHSA-N 1 0 232.287 1.372 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]Cc2cnnn2C)c(O)c1 ZINC000287467602 387446572 /nfs/dbraw/zinc/44/65/72/387446572.db2.gz WCWUVCXMSZZQQG-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO c1cc(C[NH2+]CC2COC2)cc2c1OCC2 ZINC000527818881 387710096 /nfs/dbraw/zinc/71/00/96/387710096.db2.gz VOJNBOIRLVPZAF-UHFFFAOYSA-N 1 0 219.284 1.358 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1[C@H]2COC[C@H]21)c1ccccc1O ZINC000367688255 388566632 /nfs/dbraw/zinc/56/66/32/388566632.db2.gz MKZSKZIGPMVZKI-JHEVNIALSA-N 1 0 233.311 1.935 20 10 BDCDRO CC[C@@H]([NH2+]CCn1cncn1)c1ccccc1O ZINC000271703510 389023863 /nfs/dbraw/zinc/02/38/63/389023863.db2.gz NBWAGIIITRNUKP-GFCCVEGCSA-N 1 0 246.314 1.725 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000238000167 134848331 /nfs/dbraw/zinc/84/83/31/134848331.db2.gz WXRPEZBWVBXEAW-GFCCVEGCSA-N 1 0 245.326 1.597 20 10 BDCDRO O=C1OC[C@@H]2C[N@H+](Cc3ccccc3O)CCN12 ZINC000361054147 397971398 /nfs/dbraw/zinc/97/13/98/397971398.db2.gz UDLMJAZLARUOAW-NSHDSACASA-N 1 0 248.282 1.029 20 10 BDCDRO CC1(O)CC[NH+](Cc2ccccc2O)CC1 ZINC000179576310 168067298 /nfs/dbraw/zinc/06/72/98/168067298.db2.gz FVLITFIKVJIFOH-UHFFFAOYSA-N 1 0 221.300 1.739 20 10 BDCDRO COCCCC[NH2+]Cc1ccccc1O ZINC000044655363 174199779 /nfs/dbraw/zinc/19/97/79/174199779.db2.gz UAACRXISOTWNLY-UHFFFAOYSA-N 1 0 209.289 1.908 20 10 BDCDRO COCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362329 174336231 /nfs/dbraw/zinc/33/62/31/174336231.db2.gz LRPIOJSJHLZCIG-UHFFFAOYSA-N 1 0 207.273 1.358 20 10 BDCDRO COCCOCC[NH2+]Cc1cccc(C)c1O ZINC000124736076 174357263 /nfs/dbraw/zinc/35/72/63/174357263.db2.gz ZYJTVZSPFVEPRT-UHFFFAOYSA-N 1 0 239.315 1.453 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C2(CO)CCC2)c1 ZINC000165391459 175157400 /nfs/dbraw/zinc/15/74/00/175157400.db2.gz GBLYHXRSAFDDMR-UHFFFAOYSA-N 1 0 237.299 1.405 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H](C)CO)c1 ZINC000289458014 175157624 /nfs/dbraw/zinc/15/76/24/175157624.db2.gz OCCWTBIWFOASJU-VIFPVBQESA-N 1 0 225.288 1.213 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCO)c1 ZINC000020597021 175160542 /nfs/dbraw/zinc/16/05/42/175160542.db2.gz PHBPHYBFHIKZNL-QMMMGPOBSA-N 1 0 211.261 1.044 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000035601838 175160990 /nfs/dbraw/zinc/16/09/90/175160990.db2.gz UVAXSFWALKDRRH-BDAKNGLRSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H](C)CO)c1O ZINC000082367472 175265026 /nfs/dbraw/zinc/26/50/26/175265026.db2.gz VSASQVUFQMZYCJ-SECBINFHSA-N 1 0 225.288 1.119 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cnn(C)c2)c1O ZINC000020352695 175266012 /nfs/dbraw/zinc/26/60/12/175266012.db2.gz KCYIOWQICHTRHY-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)CCO)c1O ZINC000096811446 175266249 /nfs/dbraw/zinc/26/62/49/175266249.db2.gz BXCMUMWKWMLRFI-VIFPVBQESA-N 1 0 225.288 1.261 20 10 BDCDRO COc1cccc(C[NH2+][C@@]2(C)CCOC2)c1O ZINC000120242524 175266474 /nfs/dbraw/zinc/26/64/74/175266474.db2.gz ROOCMPHTNIZJDR-ZDUSSCGKSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)CCO)c1O ZINC000096811447 175267448 /nfs/dbraw/zinc/26/74/48/175267448.db2.gz BXCMUMWKWMLRFI-SECBINFHSA-N 1 0 225.288 1.261 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)[C@@H](C)OC)c1O ZINC000289739763 175267838 /nfs/dbraw/zinc/26/78/38/175267838.db2.gz HKNJXTOKHNKFBH-NXEZZACHSA-N 1 0 239.315 1.914 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1COCCO1)c1ccccc1O ZINC000038060525 175894738 /nfs/dbraw/zinc/89/47/38/175894738.db2.gz RGYADTQDGYJZCU-MNOVXSKESA-N 1 0 237.299 1.458 20 10 BDCDRO C[C@@H]1C[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134228075 176396819 /nfs/dbraw/zinc/39/68/19/176396819.db2.gz YRVMBJJOFHNVQQ-RKDXNWHRSA-N 1 0 235.283 1.867 20 10 BDCDRO C[C@H]([NH2+]CC1(C)OCCO1)c1ccccc1O ZINC000183634963 176835281 /nfs/dbraw/zinc/83/52/81/176835281.db2.gz UGZXZNAWYNRMJK-JTQLQIEISA-N 1 0 237.299 1.806 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000296052682 518189397 /nfs/dbraw/zinc/18/93/97/518189397.db2.gz VGJXPMAPCXAGSA-UFGOTCBOSA-N 1 0 237.299 1.111 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)C[S@](C)=O)c(O)c1 ZINC000877311334 583312009 /nfs/dbraw/zinc/31/20/09/583312009.db2.gz VUJHZZQRXFOGIF-HWPZZCPQSA-N 1 0 241.356 1.557 20 10 BDCDRO c1cc(CNCC23CC(C2)C[NH2+]3)cc2c1OCC2 ZINC000853246882 588728491 /nfs/dbraw/zinc/72/84/91/588728491.db2.gz VRLYZUZQJIUZAF-UHFFFAOYSA-N 1 0 244.338 1.463 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1cccc(C)c1O ZINC000853249637 588729210 /nfs/dbraw/zinc/72/92/10/588729210.db2.gz SGZVSLYJUCVUIV-JTQLQIEISA-N 1 0 208.305 1.398 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1cc(Cl)ccc1O ZINC000853250083 588729354 /nfs/dbraw/zinc/72/93/54/588729354.db2.gz ZSZFOWNBKWUQTA-MRVPVSSYSA-N 1 0 228.723 1.743 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000854232557 588781167 /nfs/dbraw/zinc/78/11/67/588781167.db2.gz SKNSDZOCPDTFDI-QWRGUYRKSA-N 1 0 222.332 1.959 20 10 BDCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000892793021 582983418 /nfs/dbraw/zinc/98/34/18/582983418.db2.gz KIOAHMCMPNJZNB-SNVBAGLBSA-N 1 0 249.310 1.663 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCC(N)=O ZINC000840946543 583176304 /nfs/dbraw/zinc/17/63/04/583176304.db2.gz QJWIHZUSNSORKP-UHFFFAOYSA-N 1 0 249.358 1.368 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c1 ZINC000814172966 583342353 /nfs/dbraw/zinc/34/23/53/583342353.db2.gz DSNRVZHRZRPGMR-GXTWGEPZSA-N 1 0 246.354 1.837 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1F ZINC000894207891 583355855 /nfs/dbraw/zinc/35/58/55/583355855.db2.gz ANZJIKPZUPJXNC-UHFFFAOYSA-N 1 0 248.305 1.905 20 10 BDCDRO COc1cc(C)cc(C[N@H+](C)C[C@@H](C)O)c1O ZINC000894450734 583463146 /nfs/dbraw/zinc/46/31/46/583463146.db2.gz NYUTUUAREXJFQH-SNVBAGLBSA-N 1 0 239.315 1.522 20 10 BDCDRO COc1cc(C)cc(C[N@H+](C)[C@@H](C)CO)c1O ZINC000894770146 583516582 /nfs/dbraw/zinc/51/65/82/583516582.db2.gz LVFBXXATRBGMHY-JTQLQIEISA-N 1 0 239.315 1.522 20 10 BDCDRO Oc1ccc(Cl)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895646592 583699036 /nfs/dbraw/zinc/69/90/36/583699036.db2.gz HKSLTJQFLDIBDL-CABZTGNLSA-N 1 0 239.702 1.612 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[NH+](C)C ZINC000115725895 588924816 /nfs/dbraw/zinc/92/48/16/588924816.db2.gz DZZIDCXEUWLAEW-UHFFFAOYSA-N 1 0 249.358 1.239 20 10 BDCDRO CC(=O)OC[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000895852225 583736669 /nfs/dbraw/zinc/73/66/69/583736669.db2.gz RUAOOHHROVOEAM-NXEZZACHSA-N 1 0 237.299 1.994 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000896383885 583798251 /nfs/dbraw/zinc/79/82/51/583798251.db2.gz GDFMPMQGEJJFPT-GFCCVEGCSA-N 1 0 249.310 1.587 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C1CC(CC(N)=O)C1 ZINC000896406880 583800680 /nfs/dbraw/zinc/80/06/80/583800680.db2.gz KIQCKZDGBVWSQK-UHFFFAOYSA-N 1 0 248.326 1.444 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCN(C)C1 ZINC000729682099 584022872 /nfs/dbraw/zinc/02/28/72/584022872.db2.gz MSUAVARAYIZSTL-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000897681307 584039703 /nfs/dbraw/zinc/03/97/03/584039703.db2.gz QTPLAMHWUUHTPT-QPUJVOFHSA-N 1 0 225.263 1.344 20 10 BDCDRO COc1ccc(C[NH2+][C@]2(C)CCNC2=O)cc1C ZINC000897873902 584056748 /nfs/dbraw/zinc/05/67/48/584056748.db2.gz ROAYHSHCHCQDFL-CQSZACIVSA-N 1 0 248.326 1.372 20 10 BDCDRO C[C@H]([NH2+]CCCON)c1ccc(N(C)C)cc1 ZINC000902421099 584592307 /nfs/dbraw/zinc/59/23/07/584592307.db2.gz NOLCRXQNWGMZBN-NSHDSACASA-N 1 0 237.347 1.684 20 10 BDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@@H]2CO)c1 ZINC000902629893 584646174 /nfs/dbraw/zinc/64/61/74/584646174.db2.gz JQONPYUALCYPEY-GFCCVEGCSA-N 1 0 221.300 1.576 20 10 BDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@H]2CO)c1O ZINC000902629258 584646519 /nfs/dbraw/zinc/64/65/19/584646519.db2.gz ARVGDIKOIIGDRH-NSHDSACASA-N 1 0 237.299 1.276 20 10 BDCDRO Cc1cccc(CN2C[C@H]([NH3+])C(C)(C)C2)c1O ZINC000903986653 584835680 /nfs/dbraw/zinc/83/56/80/584835680.db2.gz OTFUVSJYCKWVSH-LBPRGKRZSA-N 1 0 234.343 1.870 20 10 BDCDRO [NH3+]C[C@@H](NCc1ccc2c(c1)CCCO2)C1CC1 ZINC000904350060 584869201 /nfs/dbraw/zinc/86/92/01/584869201.db2.gz GQTPYJRVSCLQBF-CQSZACIVSA-N 1 0 246.354 1.839 20 10 BDCDRO [NH3+]C1(CNCc2ccc3c(c2)CCCO3)CCC1 ZINC000904355225 584870710 /nfs/dbraw/zinc/87/07/10/584870710.db2.gz LSFMBXZMMAFVHD-UHFFFAOYSA-N 1 0 246.354 1.983 20 10 BDCDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841086330 584883848 /nfs/dbraw/zinc/88/38/48/584883848.db2.gz NBFNINSPLADPTF-AWEZNQCLSA-N 1 0 246.354 1.852 20 10 BDCDRO CN(C(=O)C[C@H]([NH3+])C1CC1)c1ccc(N)cc1 ZINC000877077538 584889639 /nfs/dbraw/zinc/88/96/39/584889639.db2.gz MBMLEFOQXLSDIH-LBPRGKRZSA-N 1 0 233.315 1.359 20 10 BDCDRO CN(C)C(=O)CC[N@H+](C)Cc1ccccc1O ZINC000731842864 584929602 /nfs/dbraw/zinc/92/96/02/584929602.db2.gz MDNDNHXLRUHSQT-UHFFFAOYSA-N 1 0 236.315 1.302 20 10 BDCDRO CCOc1ccc(C[NH2+]CC(C)(C)O)c(O)c1 ZINC000732229575 584934710 /nfs/dbraw/zinc/93/47/10/584934710.db2.gz KMKFBJYKTNEWSL-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971845 584993361 /nfs/dbraw/zinc/99/33/61/584993361.db2.gz HTTHQUSQVAMYDZ-BQBZGAKWSA-N 1 0 230.258 1.668 20 10 BDCDRO COC1C[NH+](Cc2cc(C)cc(C)c2O)C1 ZINC000754742716 585289960 /nfs/dbraw/zinc/28/99/60/585289960.db2.gz XZHMVUDKQVDWIF-UHFFFAOYSA-N 1 0 221.300 1.840 20 10 BDCDRO CCN(C)c1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000773733717 585643029 /nfs/dbraw/zinc/64/30/29/585643029.db2.gz ZIDBEJZZFKQLBZ-UHFFFAOYSA-N 1 0 247.386 1.890 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)cc1 ZINC000773819064 585644579 /nfs/dbraw/zinc/64/45/79/585644579.db2.gz OBLFKLCHNAKRMB-IUODEOHRSA-N 1 0 248.370 1.955 20 10 BDCDRO OC[C@]12C[C@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000783745335 585841462 /nfs/dbraw/zinc/84/14/62/585841462.db2.gz VTEDGKPWYDRFPN-WCQYABFASA-N 1 0 219.284 1.206 20 10 BDCDRO C[C@]1(CO)CCC[N@@H+]1Cc1ccccc1O ZINC000788435846 585923301 /nfs/dbraw/zinc/92/33/01/585923301.db2.gz NNQICOACMHOXLY-CYBMUJFWSA-N 1 0 221.300 1.739 20 10 BDCDRO C[N@H+](CCCO)Cc1cc(Cl)ccc1O ZINC000799740421 586195703 /nfs/dbraw/zinc/19/57/03/586195703.db2.gz ZUYOHGATXDUGNP-UHFFFAOYSA-N 1 0 229.707 1.860 20 10 BDCDRO C[C@@H](CO)[N@H+](C)Cc1cc(Cl)ccc1O ZINC000809743158 586516187 /nfs/dbraw/zinc/51/61/87/586516187.db2.gz SPONGWQQSFEFGS-QMMMGPOBSA-N 1 0 229.707 1.858 20 10 BDCDRO CC1(C)[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000812778599 586583872 /nfs/dbraw/zinc/58/38/72/586583872.db2.gz MEBCEUMMSJZUFF-LBPRGKRZSA-N 1 0 239.290 1.877 20 10 BDCDRO Oc1cc2c(cc1C[NH+]1CC(C3CC3)C1)OCO2 ZINC000812775738 586583979 /nfs/dbraw/zinc/58/39/79/586583979.db2.gz NTXLVHDDZUBPLR-UHFFFAOYSA-N 1 0 247.294 1.963 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000814172644 586615638 /nfs/dbraw/zinc/61/56/38/586615638.db2.gz XOJVZOOEYSJOLE-IAZYJMLFSA-N 1 0 249.310 1.071 20 10 BDCDRO C[C@H]([NH2+]CC1(CC(N)=O)CC1)c1ccccc1O ZINC000817586748 586812759 /nfs/dbraw/zinc/81/27/59/586812759.db2.gz RUNZFEFKRYHTQY-JTQLQIEISA-N 1 0 248.326 1.698 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]CCN)c(O)c1C ZINC000817935488 586843073 /nfs/dbraw/zinc/84/30/73/586843073.db2.gz WVBUEESJLPXQCA-JTQLQIEISA-N 1 0 208.305 1.618 20 10 BDCDRO CC[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944915 586845850 /nfs/dbraw/zinc/84/58/50/586845850.db2.gz OYTKDFREGPLTGM-ZYHUDNBSSA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccn(C)n1 ZINC000817957991 586850770 /nfs/dbraw/zinc/85/07/70/586850770.db2.gz RUWXARZIQYCORF-LLVKDONJSA-N 1 0 244.342 1.896 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CN)c1 ZINC000817966265 586854894 /nfs/dbraw/zinc/85/48/94/586854894.db2.gz JXHWLARLVXZPLP-RKDXNWHRSA-N 1 0 224.304 1.399 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccccc1O ZINC000817976847 586860553 /nfs/dbraw/zinc/86/05/53/586860553.db2.gz VLXBKAZERBGAKS-DCAQKATOSA-N 1 0 238.306 1.743 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1F ZINC000818231027 586880740 /nfs/dbraw/zinc/88/07/40/586880740.db2.gz NEIHUOBKQHRTNI-DGCLKSJQSA-N 1 0 238.306 1.505 20 10 BDCDRO CC[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819096274 586930771 /nfs/dbraw/zinc/93/07/71/586930771.db2.gz LMDPSAHBUUYTPJ-OAHLLOKOSA-N 1 0 246.354 1.923 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[NH+]1CCCC1 ZINC000820880282 587079465 /nfs/dbraw/zinc/07/94/65/587079465.db2.gz ZLKAKQHBDBMDTK-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO CC[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1O ZINC000824533277 587273486 /nfs/dbraw/zinc/27/34/86/587273486.db2.gz COGCNRULADXUIM-NSHDSACASA-N 1 0 227.279 1.734 20 10 BDCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccccc1O ZINC000825104422 587304881 /nfs/dbraw/zinc/30/48/81/587304881.db2.gz WPZVEHSJRPGVEZ-MWLCHTKSSA-N 1 0 207.273 1.347 20 10 BDCDRO NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000825279039 587312959 /nfs/dbraw/zinc/31/29/59/587312959.db2.gz LUIZQYBUZALJIP-KOLCDFICSA-N 1 0 234.299 1.136 20 10 BDCDRO C[C@H](O)C1([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000827585166 587390196 /nfs/dbraw/zinc/39/01/96/587390196.db2.gz BDHZIOKTOLIBAN-QMMMGPOBSA-N 1 0 225.263 1.534 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827831832 587404662 /nfs/dbraw/zinc/40/46/62/587404662.db2.gz CKEBQFBOXMVLJA-MQMHXKEQSA-N 1 0 234.343 1.674 20 10 BDCDRO Cc1ccc(O)c(CN2CCc3nn[nH]c3C2)c1 ZINC000827884961 587407801 /nfs/dbraw/zinc/40/78/01/587407801.db2.gz MMYOEFSLPUPJEF-UHFFFAOYSA-N 1 0 244.298 1.377 20 10 BDCDRO CCCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286101 587653384 /nfs/dbraw/zinc/65/33/84/587653384.db2.gz WDLJSLLOJJQORV-CYBMUJFWSA-N 1 0 249.358 1.669 20 10 BDCDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc(N)cc1 ZINC000834361293 587753080 /nfs/dbraw/zinc/75/30/80/587753080.db2.gz HLSQBNXQQPUVST-JQWIXIFHSA-N 1 0 247.342 1.007 20 10 BDCDRO Cc1cccc(CN2CC[C@H]([NH3+])[C@@H]2C)c1O ZINC000841024113 587935339 /nfs/dbraw/zinc/93/53/39/587935339.db2.gz IKDDESNDCWEDCM-JQWIXIFHSA-N 1 0 220.316 1.622 20 10 BDCDRO Cc1cc(O)c(CN2CC[C@H]([NH3+])[C@@H]2C)cc1C ZINC000841024992 587935437 /nfs/dbraw/zinc/93/54/37/587935437.db2.gz WPJUTJUEXYRNES-AAEUAGOBSA-N 1 0 234.343 1.931 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CN)C1CC1 ZINC000841028251 587935963 /nfs/dbraw/zinc/93/59/63/587935963.db2.gz NSBRQYUTODJVOT-HNNXBMFYSA-N 1 0 247.386 1.888 20 10 BDCDRO CCn1cc(C[NH2+]CCc2ccc(N)cc2)cn1 ZINC000841034526 587936977 /nfs/dbraw/zinc/93/69/77/587936977.db2.gz HDKFNMIHYJTAEE-UHFFFAOYSA-N 1 0 244.342 1.818 20 10 BDCDRO Oc1cccc(Cl)c1CNC[C@H]1CCC[NH2+]1 ZINC000841035681 587937784 /nfs/dbraw/zinc/93/77/84/587937784.db2.gz JSOXUVIJGJNIHX-SECBINFHSA-N 1 0 240.734 1.887 20 10 BDCDRO CCOc1ccc(O)c(CNCC[NH2+]C)c1 ZINC000841036616 587938038 /nfs/dbraw/zinc/93/80/38/587938038.db2.gz QLUBJQSPVGWZDQ-UHFFFAOYSA-N 1 0 224.304 1.100 20 10 BDCDRO CC[NH2+]CCNCc1cc(C)ccc1O ZINC000841037213 587938138 /nfs/dbraw/zinc/93/81/38/587938138.db2.gz QQYSKRHLJSNGSY-UHFFFAOYSA-N 1 0 208.305 1.400 20 10 BDCDRO Cc1cccc(CN[C@@H]2CCC[NH2+]C2)c1O ZINC000841041672 587938281 /nfs/dbraw/zinc/93/82/81/587938281.db2.gz DIYYBWKVBKNBDE-GFCCVEGCSA-N 1 0 220.316 1.542 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@@H]1CC[NH2+]C1 ZINC000841045326 587939163 /nfs/dbraw/zinc/93/91/63/587939163.db2.gz SVVBEJPBXMBIND-CYBMUJFWSA-N 1 0 233.359 1.513 20 10 BDCDRO COc1ccc(CNC[C@H]([NH3+])C2CC2)cc1C ZINC000841049741 587939643 /nfs/dbraw/zinc/93/96/43/587939643.db2.gz NKPDJAYAELMHQV-ZDUSSCGKSA-N 1 0 234.343 1.831 20 10 BDCDRO [NH3+]C1(CNCc2ccc3c(c2)CCO3)CCC1 ZINC000841050499 587939970 /nfs/dbraw/zinc/93/99/70/587939970.db2.gz GVGYRKGWUQCHSK-UHFFFAOYSA-N 1 0 232.327 1.593 20 10 BDCDRO CCOc1ccc(O)c(CN[C@H](C)C[NH3+])c1 ZINC000841059430 587940431 /nfs/dbraw/zinc/94/04/31/587940431.db2.gz CZHQUNZUBSRMPH-SECBINFHSA-N 1 0 224.304 1.228 20 10 BDCDRO CC(C)(C)[C@H](CN)[NH2+]Cc1cc(F)ccc1O ZINC000841087887 587945405 /nfs/dbraw/zinc/94/54/05/587945405.db2.gz SYIANBPSWHCXFF-LBPRGKRZSA-N 1 0 240.322 1.994 20 10 BDCDRO CC(C)(C)[C@@H](CN)[NH2+]Cc1cc(F)ccc1O ZINC000841087884 587946051 /nfs/dbraw/zinc/94/60/51/587946051.db2.gz SYIANBPSWHCXFF-GFCCVEGCSA-N 1 0 240.322 1.994 20 10 BDCDRO CN(C)c1ccc(CN(C)CC[NH3+])cc1F ZINC000841099923 587946698 /nfs/dbraw/zinc/94/66/98/587946698.db2.gz ATLAEDXUXWFLGQ-UHFFFAOYSA-N 1 0 225.311 1.282 20 10 BDCDRO CCOc1ccc(O)c(CN(C)CC[NH3+])c1 ZINC000841099356 587946708 /nfs/dbraw/zinc/94/67/08/587946708.db2.gz ITLWYAXVIYUVHU-UHFFFAOYSA-N 1 0 224.304 1.181 20 10 BDCDRO CN(C(=O)Cc1ccc(N)cc1)[C@H](C[NH3+])C1CC1 ZINC000842511828 588032139 /nfs/dbraw/zinc/03/21/39/588032139.db2.gz YTLATCBVJWTFIE-CYBMUJFWSA-N 1 0 247.342 1.007 20 10 BDCDRO Cn1cnc(CCC[NH2+]Cc2ccccc2O)n1 ZINC000842737289 588057751 /nfs/dbraw/zinc/05/77/51/588057751.db2.gz MRUNEDFQCILBAL-UHFFFAOYSA-N 1 0 246.314 1.243 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2cccc(F)c2O)C1 ZINC000843044767 588076480 /nfs/dbraw/zinc/07/64/80/588076480.db2.gz IMSPVWDWYOWXCH-JTQLQIEISA-N 1 0 224.279 1.325 20 10 BDCDRO C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843058756 588077620 /nfs/dbraw/zinc/07/76/20/588077620.db2.gz XNTFKSGCMNVVJB-VHSXEESVSA-N 1 0 238.306 1.700 20 10 BDCDRO C[NH2+]C[C@@H]1CCCN1Cc1cccc(C)c1O ZINC000843055207 588077642 /nfs/dbraw/zinc/07/76/42/588077642.db2.gz GTINOONIZKBDSM-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843058048 588077903 /nfs/dbraw/zinc/07/79/03/588077903.db2.gz NZRRFYRTVYDVOW-ZJUUUORDSA-N 1 0 238.306 1.700 20 10 BDCDRO COc1ccc2c(c1)CCN2CC(C)(C)[NH3+] ZINC000843059203 588078162 /nfs/dbraw/zinc/07/81/62/588078162.db2.gz GAFKRILNULVVBS-UHFFFAOYSA-N 1 0 220.316 1.795 20 10 BDCDRO Cc1cccc(CN2C[C@H](C)[NH2+]C[C@H]2C)c1O ZINC000843120112 588083796 /nfs/dbraw/zinc/08/37/96/588083796.db2.gz XVAXHMUNUWWCIZ-NWDGAFQWSA-N 1 0 234.343 1.883 20 10 BDCDRO Cc1cc(O)c(CN(C)C2C[NH2+]C2)c(Cl)c1 ZINC000843125889 588084228 /nfs/dbraw/zinc/08/42/28/588084228.db2.gz BYUJBPIIFNKSPX-UHFFFAOYSA-N 1 0 240.734 1.758 20 10 BDCDRO C[C@]1(CNc2ccc(N)cc2)CC[NH2+]C1 ZINC000843126676 588084257 /nfs/dbraw/zinc/08/42/57/588084257.db2.gz SPRIZXAWXSZRMZ-LBPRGKRZSA-N 1 0 205.305 1.680 20 10 BDCDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000843503279 588117241 /nfs/dbraw/zinc/11/72/41/588117241.db2.gz JTDPUANMNLLOTO-VHSXEESVSA-N 1 0 235.331 1.053 20 10 BDCDRO COc1cccc(C[N@H+](C)[C@H](C)CCO)c1O ZINC000846108572 588257005 /nfs/dbraw/zinc/25/70/05/588257005.db2.gz BLAJYDWSRNXJHO-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+][C@@H]2CCOC2)c1O ZINC000846158495 588258739 /nfs/dbraw/zinc/25/87/39/588258739.db2.gz ZWTBGEHJIMZEKJ-NXEZZACHSA-N 1 0 237.299 1.840 20 10 BDCDRO OC[C@H](CCF)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000846210320 588259711 /nfs/dbraw/zinc/25/97/11/588259711.db2.gz XZNCRZMAPNEVPG-QWRGUYRKSA-N 1 0 239.290 1.690 20 10 BDCDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(N(C)C)cc1 ZINC000107091911 588328534 /nfs/dbraw/zinc/32/85/34/588328534.db2.gz XOEMATUJMZRSBG-GFCCVEGCSA-N 1 0 233.359 1.546 20 10 BDCDRO COc1ccc(CNC(=[NH2+])N(C)C2CC2)c(O)c1 ZINC000849024998 588440199 /nfs/dbraw/zinc/44/01/99/588440199.db2.gz IZOFPJZSEFJSKO-UHFFFAOYSA-N 1 0 249.314 1.519 20 10 BDCDRO [NH3+]C1(C[NH2+]Cc2cccc(F)c2[O-])CCCC1 ZINC000849349835 588475015 /nfs/dbraw/zinc/47/50/15/588475015.db2.gz KNXDWFDOIOOWQP-UHFFFAOYSA-N 1 0 238.306 1.892 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000850417732 588545182 /nfs/dbraw/zinc/54/51/82/588545182.db2.gz JWKRTKKGNKTYIK-RNOWMZIFSA-N 1 0 246.354 1.879 20 10 BDCDRO CC[C@H]([NH2+]CCN(C)OC)c1ccccc1O ZINC000850479159 588550451 /nfs/dbraw/zinc/55/04/51/588550451.db2.gz MPCOOTDJIPKODI-LBPRGKRZSA-N 1 0 238.331 1.926 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]C/C=C\CO)c1O ZINC000850510220 588554797 /nfs/dbraw/zinc/55/47/97/588554797.db2.gz VZCLDENULHUBDD-XOULXFPDSA-N 1 0 237.299 1.600 20 10 BDCDRO C[C@@H]([NH2+]Cc1cn(C)cn1)c1ccccc1O ZINC000851895212 588641881 /nfs/dbraw/zinc/64/18/81/588641881.db2.gz CCGWRXPANCGYTC-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2cc(F)ccc2O)C[NH2+]1 ZINC000863484633 589293027 /nfs/dbraw/zinc/29/30/27/589293027.db2.gz KDHJOHLQDZFPQV-SKDRFNHKSA-N 1 0 238.306 1.761 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000863485284 589293039 /nfs/dbraw/zinc/29/30/39/589293039.db2.gz YGKQRBACZSRZBS-BXUZGUMPSA-N 1 0 246.354 1.852 20 10 BDCDRO COc1ccc(O)c(CNC(=[NH2+])N[C@@H]2C[C@H]2C)c1 ZINC000864462054 589369080 /nfs/dbraw/zinc/36/90/80/589369080.db2.gz RCQWKHIPLSHDHQ-LDYMZIIASA-N 1 0 249.314 1.423 20 10 BDCDRO C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1O ZINC000870988334 589706875 /nfs/dbraw/zinc/70/68/75/589706875.db2.gz MTASIQKVRWDBFL-SCVCMEIPSA-N 1 0 248.326 1.567 20 10 BDCDRO C[NH2+]CCCC(=O)N[C@@H](C)c1ccccc1O ZINC000870988218 589707029 /nfs/dbraw/zinc/70/70/29/589707029.db2.gz JDYFVZJBFYRFFZ-JTQLQIEISA-N 1 0 236.315 1.569 20 10 BDCDRO C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988074 589707212 /nfs/dbraw/zinc/70/72/12/589707212.db2.gz FWQVTYRFTXPGIY-QWRGUYRKSA-N 1 0 248.326 1.712 20 10 BDCDRO C[N@@H+]1CC[C@@H](C(=O)N2Cc3cccc(O)c3C2)C1 ZINC000871203353 589744539 /nfs/dbraw/zinc/74/45/39/589744539.db2.gz YLBVDSKHZKZACJ-LLVKDONJSA-N 1 0 246.310 1.186 20 10 BDCDRO C[C@@H](C(=O)N1Cc2cccc(O)c2C1)[NH+](C)C ZINC000871203842 589744580 /nfs/dbraw/zinc/74/45/80/589744580.db2.gz SYUUZBCXAXPDPP-VIFPVBQESA-N 1 0 234.299 1.185 20 10 BDCDRO O=C1OCC[C@@H]1CCC[NH2+]Cc1ccccc1O ZINC000873162888 589989565 /nfs/dbraw/zinc/98/95/65/589989565.db2.gz QCVOFCDFENPSGW-NSHDSACASA-N 1 0 249.310 1.825 20 10 BDCDRO C[NH2+]CCC[N@H+](C)Cc1cccc(OC)c1O ZINC000124776841 590084490 /nfs/dbraw/zinc/08/44/90/590084490.db2.gz KMTVFBWKKBGQBQ-UHFFFAOYSA-N 1 0 238.331 1.442 20 10 BDCDRO CC1(C)[C@H](C(=O)Nc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC000876504806 590203981 /nfs/dbraw/zinc/20/39/81/590203981.db2.gz XLPBPEURYGUBKA-QWRGUYRKSA-N 1 0 233.315 1.581 20 10 BDCDRO Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)c(O)c1 ZINC000876526946 590208986 /nfs/dbraw/zinc/20/89/86/590208986.db2.gz LPVZXQWDIKKGQS-UHFFFAOYSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCO[C@H](C)C2)c(O)c1 ZINC000876557018 590215557 /nfs/dbraw/zinc/21/55/57/590215557.db2.gz DUMPTKQLSGMIAJ-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c(O)c1 ZINC000876713632 590232677 /nfs/dbraw/zinc/23/26/77/590232677.db2.gz LWFNSLHWXQBLGS-CQSZACIVSA-N 1 0 246.354 1.981 20 10 BDCDRO CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1cccnc1 ZINC000876766041 590239864 /nfs/dbraw/zinc/23/98/64/590239864.db2.gz ZTLOXDSJASBJHS-SYTKJHMZSA-N 1 0 245.326 1.600 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](C)(O)C1 ZINC000876791705 590242153 /nfs/dbraw/zinc/24/21/53/590242153.db2.gz PAHHCSASPJDCGK-ZDUSSCGKSA-N 1 0 221.300 1.657 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H]1O ZINC000876814353 590245677 /nfs/dbraw/zinc/24/56/77/590245677.db2.gz DZQCRRINBWYFHW-SMDDNHRTSA-N 1 0 235.327 1.903 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccccc1O ZINC000876878195 590252534 /nfs/dbraw/zinc/25/25/34/590252534.db2.gz TXASUZWKYPCFAK-ZYHUDNBSSA-N 1 0 248.326 1.382 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@](C)(O)C2CC2)c(O)c1 ZINC000877027261 590271019 /nfs/dbraw/zinc/27/10/19/590271019.db2.gz LXPUFCUPGKJEMY-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H]1CC[C@@H](NC(=O)Cc2ccc(N)cc2)C[NH2+]1 ZINC000877047529 590274414 /nfs/dbraw/zinc/27/44/14/590274414.db2.gz BQELDEOUYDMGSA-ZWNOBZJWSA-N 1 0 247.342 1.068 20 10 BDCDRO CC(C)[C@H](C(=O)N(C)c1ccc(N)cc1)[NH+](C)C ZINC000877077474 590278644 /nfs/dbraw/zinc/27/86/44/590278644.db2.gz JOYQZAIWTPUCQY-CYBMUJFWSA-N 1 0 249.358 1.818 20 10 BDCDRO CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(N)cc1 ZINC000877076712 590278835 /nfs/dbraw/zinc/27/88/35/590278835.db2.gz PPGFDFQWBRCMGM-ZYHUDNBSSA-N 1 0 247.342 1.749 20 10 BDCDRO CN(C(=O)[C@]1(C)CC[NH2+]C1)c1ccc(N)cc1 ZINC000877079015 590279617 /nfs/dbraw/zinc/27/96/17/590279617.db2.gz NVEXKBOHNDVLBS-CYBMUJFWSA-N 1 0 233.315 1.231 20 10 BDCDRO COC[C@@H](C[NH2+]Cc1c(C)cccc1O)OC ZINC000877189185 590299254 /nfs/dbraw/zinc/29/92/54/590299254.db2.gz KXQRFCFDSHFDRC-LLVKDONJSA-N 1 0 239.315 1.452 20 10 BDCDRO C[C@@H](NC(=O)C1([NH3+])CCCC1)c1ccccc1O ZINC000877255466 590304230 /nfs/dbraw/zinc/30/42/30/590304230.db2.gz DSGNVDJKVALNNE-SNVBAGLBSA-N 1 0 248.326 1.841 20 10 BDCDRO C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1O ZINC000877256404 590304420 /nfs/dbraw/zinc/30/44/20/590304420.db2.gz UWJUJFSTFBSKLT-YGRLFVJLSA-N 1 0 248.326 1.712 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCC(C)(C)O ZINC000877422724 590325389 /nfs/dbraw/zinc/32/53/89/590325389.db2.gz XSJIZSYAPKXIKK-UHFFFAOYSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](O)C2)c(O)c1 ZINC000877468609 590334305 /nfs/dbraw/zinc/33/43/05/590334305.db2.gz KXUIHLHFVQWGLU-WCQYABFASA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000877485761 590339163 /nfs/dbraw/zinc/33/91/63/590339163.db2.gz GHVFELUUMLFOQX-CYBMUJFWSA-N 1 0 235.327 1.903 20 10 BDCDRO COCC[C@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877501014 590340961 /nfs/dbraw/zinc/34/09/61/590340961.db2.gz KYVMISZWHJSKOR-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC(=O)N(C)[C@@H](C)C1 ZINC000877500839 590341984 /nfs/dbraw/zinc/34/19/84/590341984.db2.gz DTBBWEZTYAFJQM-NSHDSACASA-N 1 0 248.326 1.363 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC2(COC2)C1 ZINC000877639197 590381564 /nfs/dbraw/zinc/38/15/64/590381564.db2.gz XVUVCSYCQKBFKT-UHFFFAOYSA-N 1 0 233.311 1.923 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000877667112 590389604 /nfs/dbraw/zinc/38/96/04/590389604.db2.gz LQXOQDXTKHKUFR-PHIMTYICSA-N 1 0 221.300 1.561 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C2(C)COC2)cc1F ZINC000877691379 590392906 /nfs/dbraw/zinc/39/29/06/590392906.db2.gz OKVPPBVCRPQXHS-UHFFFAOYSA-N 1 0 238.306 1.770 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCCNC(=O)C1)c1ccccc1O ZINC000877755975 590417786 /nfs/dbraw/zinc/41/77/86/590417786.db2.gz VUSGJEOELNAOQC-MNOVXSKESA-N 1 0 248.326 1.712 20 10 BDCDRO CCN(C#N)CC[N@H+](C)Cc1ccccc1O ZINC000878241936 590528640 /nfs/dbraw/zinc/52/86/40/590528640.db2.gz KSFTVEZHAPQKOZ-UHFFFAOYSA-N 1 0 233.315 1.627 20 10 BDCDRO CCN(C#N)CC[NH2+][C@H](C)c1ccccc1O ZINC000879650214 590841242 /nfs/dbraw/zinc/84/12/42/590841242.db2.gz PYTYCZCZJFLQDK-LLVKDONJSA-N 1 0 233.315 1.846 20 10 BDCDRO CC(=O)[C@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000879648890 590842335 /nfs/dbraw/zinc/84/23/35/590842335.db2.gz FHGUFFBAWZWCBM-NOZJJQNGSA-N 1 0 237.299 1.383 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880419994 591028556 /nfs/dbraw/zinc/02/85/56/591028556.db2.gz VKXGUSVDAHKMIH-TZMCWYRMSA-N 1 0 232.327 1.319 20 10 BDCDRO O=C1CC[C@H]2C[N@H+](Cc3ccccc3O)CCN12 ZINC000211633382 591208731 /nfs/dbraw/zinc/20/87/31/591208731.db2.gz IHCNKIPXRWHITO-LBPRGKRZSA-N 1 0 246.310 1.199 20 10 BDCDRO C[C@H]([NH2+]Cc1ccn(C)n1)c1ccccc1O ZINC000213218820 591455974 /nfs/dbraw/zinc/45/59/74/591455974.db2.gz BYNNPSIUYNDCQN-JTQLQIEISA-N 1 0 231.299 1.977 20 10 BDCDRO C[N@H+](Cc1ccccc1O)C[C@@](C)(O)C(F)F ZINC000886064865 592141695 /nfs/dbraw/zinc/14/16/95/592141695.db2.gz KDPAYUFCLGENJN-GFCCVEGCSA-N 1 0 245.269 1.840 20 10 BDCDRO COc1cccc(C[N@H+]2CC[C@@H](OC)C2)c1O ZINC000300045703 592501818 /nfs/dbraw/zinc/50/18/18/592501818.db2.gz NOLGFFDUJIMXRJ-LLVKDONJSA-N 1 0 237.299 1.622 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C2CC(OC)C2)c1 ZINC000230690162 635492759 /nfs/dbraw/zinc/49/27/59/635492759.db2.gz XZUTZPOAOYIWRU-UHFFFAOYSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)[C@@H](C)C[NH2+]1 ZINC000235348542 635574538 /nfs/dbraw/zinc/57/45/38/635574538.db2.gz DNWZVPBYUJOPDC-ZJUUUORDSA-N 1 0 238.306 1.714 20 10 BDCDRO C[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000078781966 631349888 /nfs/dbraw/zinc/34/98/88/631349888.db2.gz CAJXPPQLMNJJOA-LLVKDONJSA-N 1 0 222.332 1.613 20 10 BDCDRO COc1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1C ZINC000079928359 631376344 /nfs/dbraw/zinc/37/63/44/631376344.db2.gz JCHJAKHYOBTIQC-LBPRGKRZSA-N 1 0 248.326 1.372 20 10 BDCDRO [NH3+][C@H](CC1CC1)C(=O)NCc1ccccc1O ZINC000083360980 631424070 /nfs/dbraw/zinc/42/40/70/631424070.db2.gz SCLRARBMNGRUQK-LLVKDONJSA-N 1 0 234.299 1.136 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H]2CO)cc1 ZINC000934014719 631587133 /nfs/dbraw/zinc/58/71/33/631587133.db2.gz NZZMRLSJGGEPKB-ZDUSSCGKSA-N 1 0 220.316 1.319 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000309517086 632435509 /nfs/dbraw/zinc/43/55/09/632435509.db2.gz AGIRNMABKNTSKJ-JQWIXIFHSA-N 1 0 225.263 1.534 20 10 BDCDRO Cc1ccc(O)c(CN2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000309170835 632658795 /nfs/dbraw/zinc/65/87/95/632658795.db2.gz AJKIDMNFTRWXLI-JQWIXIFHSA-N 1 0 220.316 1.622 20 10 BDCDRO C[C@]1(C(=O)NCc2ccccc2O)CCC[NH2+]C1 ZINC000166202776 633108731 /nfs/dbraw/zinc/10/87/31/633108731.db2.gz FZNFDBSJFSWLJW-AWEZNQCLSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CC(N)=O)c1 ZINC000168827765 633149742 /nfs/dbraw/zinc/14/97/42/633149742.db2.gz VBNSXNZJWLOXGX-UWVGGRQHSA-N 1 0 236.315 1.615 20 10 BDCDRO CSC[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000309911885 633932770 /nfs/dbraw/zinc/93/27/70/633932770.db2.gz NDGZLHOAFJPIJB-ZJUUUORDSA-N 1 0 241.356 1.767 20 10 BDCDRO CC(=O)OC[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000895583164 636163162 /nfs/dbraw/zinc/16/31/62/636163162.db2.gz WIYUZLYPYJFRNZ-SNVBAGLBSA-N 1 0 237.299 1.742 20 10 BDCDRO C[C@@](O)(C[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000310415649 634144628 /nfs/dbraw/zinc/14/46/28/634144628.db2.gz MZXCMUBVEMCCRI-CYBMUJFWSA-N 1 0 239.290 1.782 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@@H]1CO ZINC000191182633 634206900 /nfs/dbraw/zinc/20/69/00/634206900.db2.gz CYVDFJJFHIDGLN-JOYOIKCWSA-N 1 0 239.290 1.734 20 10 BDCDRO NC(=O)C1([NH2+]Cc2ccc3c(c2)CCCO3)CC1 ZINC000893554349 635154946 /nfs/dbraw/zinc/15/49/46/635154946.db2.gz VDCVFMQLUKBFFU-UHFFFAOYSA-N 1 0 246.310 1.119 20 10 BDCDRO CC(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097783 635211353 /nfs/dbraw/zinc/21/13/53/635211353.db2.gz JKWXVJGHRJHYCY-AWEZNQCLSA-N 1 0 249.358 1.491 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CC12CC(O)C2 ZINC000897844546 636837580 /nfs/dbraw/zinc/83/75/80/636837580.db2.gz RTAOQAGTOJMLMK-AWAWDMARSA-N 1 0 233.311 1.704 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000322758379 636879933 /nfs/dbraw/zinc/87/99/33/636879933.db2.gz FTQANWNWKHFYRF-ZJUUUORDSA-N 1 0 236.315 1.567 20 10 BDCDRO COc1ccc(N(C)C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000111273453 637097798 /nfs/dbraw/zinc/09/77/98/637097798.db2.gz XJQWPJQBKBFIHG-NEPJUHHUSA-N 1 0 234.343 1.987 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2C[NH2+]CC2(C)C)c1 ZINC000904462945 637407387 /nfs/dbraw/zinc/40/73/87/637407387.db2.gz MYJGKLDIUQRKIC-ZDUSSCGKSA-N 1 0 234.343 1.788 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000904465198 637408749 /nfs/dbraw/zinc/40/87/49/637408749.db2.gz YTIGSDQAQPPRQN-CQSZACIVSA-N 1 0 247.386 1.840 20 10 BDCDRO Nc1ccc(NC(=O)[C@]23CC[C@H]2C[NH2+]C3)cc1 ZINC000911659881 639692662 /nfs/dbraw/zinc/69/26/62/639692662.db2.gz GOKYCFZKYBMNFM-ZANVPECISA-N 1 0 231.299 1.207 20 10 BDCDRO CNC(=O)CC[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000044989745 640481238 /nfs/dbraw/zinc/48/12/38/640481238.db2.gz ISQQOQJDFZHOQE-LLVKDONJSA-N 1 0 249.358 1.539 20 10 BDCDRO COCC(C)(C)[NH2+]Cc1cc(OC)ccc1O ZINC000164599345 640493412 /nfs/dbraw/zinc/49/34/12/640493412.db2.gz WWSQRIOMCSZPIF-UHFFFAOYSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)OC)c1 ZINC000164747055 640505693 /nfs/dbraw/zinc/50/56/93/640505693.db2.gz YSUYNUFLRSNHJB-UHFFFAOYSA-N 1 0 239.315 1.915 20 10 BDCDRO O=C(CC[NH2+]C1CC1)NCc1ccccc1O ZINC000228421621 640874331 /nfs/dbraw/zinc/87/43/31/640874331.db2.gz RHYIGXQDLTYZSC-UHFFFAOYSA-N 1 0 234.299 1.151 20 10 BDCDRO C[NH2+]CCCN(C)c1ccc(OC)c(F)c1 ZINC000087472867 640897997 /nfs/dbraw/zinc/89/79/97/640897997.db2.gz WKDWYUXEHJSRLM-UHFFFAOYSA-N 1 0 226.295 1.880 20 10 BDCDRO CN(C)c1ccc(/C=C/CN2CC[NH2+]CC2)cc1 ZINC000071560175 641169349 /nfs/dbraw/zinc/16/93/49/641169349.db2.gz ZWQYEAJWPKGNKK-ONEGZZNKSA-N 1 0 245.370 1.671 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cc[nH]n2)c1 ZINC000041014818 641539624 /nfs/dbraw/zinc/53/96/24/641539624.db2.gz PZLGKQZASOVTHN-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CO)C2)c1 ZINC000305205685 642647972 /nfs/dbraw/zinc/64/79/72/642647972.db2.gz ODXCSSBRXNCKBN-LBPRGKRZSA-N 1 0 235.327 1.905 20 10 BDCDRO CCOc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000305730308 642683760 /nfs/dbraw/zinc/68/37/60/642683760.db2.gz LCANGIFNLCIULO-LLVKDONJSA-N 1 0 237.299 1.358 20 10 BDCDRO C[NH2+]CCN(C)Cc1ccc(N(C)C)cc1 ZINC000069801109 642914668 /nfs/dbraw/zinc/91/46/68/642914668.db2.gz UFAOBDOKWOZOFI-UHFFFAOYSA-N 1 0 221.348 1.404 20 10 BDCDRO Cc1ccc(O)c(CN(C)[C@@H]2CC[NH2+]C2)c1 ZINC000070955794 643085856 /nfs/dbraw/zinc/08/58/56/643085856.db2.gz AGFUNFGXPZCGEQ-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO CC[C@H]([NH2+]C[C@H](O)COC)c1ccccc1O ZINC000071269698 643114601 /nfs/dbraw/zinc/11/46/01/643114601.db2.gz CBJJIYBUZVNTMR-JQWIXIFHSA-N 1 0 239.315 1.440 20 10 BDCDRO CN(C)c1ccc(CN2CC[NH2+]CC2)cc1F ZINC000082653922 643363119 /nfs/dbraw/zinc/36/31/19/643363119.db2.gz MDJXIWLIYPPACA-UHFFFAOYSA-N 1 0 237.322 1.297 20 10 BDCDRO CCOC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000044690562 643547452 /nfs/dbraw/zinc/54/74/52/643547452.db2.gz LKLRNRVPMMIZBX-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1ccc(CN[C@H]2CCC[NH2+]C2)cc1C ZINC000084529865 643666240 /nfs/dbraw/zinc/66/62/40/643666240.db2.gz WSRUNZXHQQNQOR-ZDUSSCGKSA-N 1 0 234.343 1.845 20 10 BDCDRO OC/C=C/C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922240084 643916712 /nfs/dbraw/zinc/91/67/12/643916712.db2.gz MWUMQXOCOCAZMR-OWOJBTEDSA-N 1 0 233.311 1.650 20 10 BDCDRO c1cc2c(cc1C[NH2+][C@]13C[C@H]1COC3)CCCO2 ZINC000922337167 643974715 /nfs/dbraw/zinc/97/47/15/643974715.db2.gz BSFZUCGETRSGDD-ZFWWWQNUSA-N 1 0 245.322 1.890 20 10 BDCDRO O=C1C[C@H](CC[NH2+]Cc2ccccc2O)CN1 ZINC000922781240 644094965 /nfs/dbraw/zinc/09/49/65/644094965.db2.gz JCTMCCNZXRGHDL-JTQLQIEISA-N 1 0 234.299 1.008 20 10 BDCDRO COc1ccc(N(C)C[C@H](C)[NH3+])c(OC)c1 ZINC000074012010 644157372 /nfs/dbraw/zinc/15/73/72/644157372.db2.gz NDLIIIHXAXVGKR-VIFPVBQESA-N 1 0 224.304 1.487 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCCO)c1 ZINC000193283057 644231045 /nfs/dbraw/zinc/23/10/45/644231045.db2.gz SZQMSUMCFHQXHY-JTQLQIEISA-N 1 0 239.315 1.824 20 10 BDCDRO Cc1cc(CN2CCC[C@H]2C[NH3+])ccc1N(C)C ZINC000923291048 644326853 /nfs/dbraw/zinc/32/68/53/644326853.db2.gz AEQPCPQFPBSMKI-AWEZNQCLSA-N 1 0 247.386 1.984 20 10 BDCDRO CN(CCC[NH2+]C1CC1)c1ccc(N)cc1 ZINC000923400789 644407855 /nfs/dbraw/zinc/40/78/55/644407855.db2.gz OIAXENDXDRNYGQ-UHFFFAOYSA-N 1 0 219.332 1.847 20 10 BDCDRO Cc1cc(CN2C[C@@H]([NH3+])C[C@H]2C)ccc1N(C)C ZINC000923412917 644413997 /nfs/dbraw/zinc/41/39/97/644413997.db2.gz KYJIUBWCPIEFQH-OCCSQVGLSA-N 1 0 247.386 1.983 20 10 BDCDRO COc1ccc2c(c1)CCCN2CC[NH3+] ZINC000084772310 644433497 /nfs/dbraw/zinc/43/34/97/644433497.db2.gz YFKSTUHDTKUPLU-UHFFFAOYSA-N 1 0 206.289 1.407 20 10 BDCDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccccc1O ZINC000824637840 645056668 /nfs/dbraw/zinc/05/66/68/645056668.db2.gz ZYVTXMJWVWEXKQ-QWHCGFSZSA-N 1 0 235.327 1.985 20 10 BDCDRO C[C@@H]([NH2+]C/C=C\c1ccc(N(C)C)cc1)C(N)=O ZINC000835047680 645163159 /nfs/dbraw/zinc/16/31/59/645163159.db2.gz CRCPLNHCGUOPGA-DOGVGXBMSA-N 1 0 247.342 1.229 20 10 BDCDRO CCOC(=O)/C=C/C[N@H+](C)Cc1ccccc1O ZINC000929973196 646382371 /nfs/dbraw/zinc/38/23/71/646382371.db2.gz XZYYQFCNCNMORC-RMKNXTFCSA-N 1 0 249.310 1.943 20 10 BDCDRO C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925787616 646483115 /nfs/dbraw/zinc/48/31/15/646483115.db2.gz YWJZKIPYABHCGV-VDDIYKPWSA-N 1 0 238.306 1.790 20 10 BDCDRO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(F)cc1O ZINC000925787615 646483571 /nfs/dbraw/zinc/48/35/71/646483571.db2.gz YWJZKIPYABHCGV-KBVBSXBZSA-N 1 0 238.306 1.790 20 10 BDCDRO C[C@@H]1CN(Cc2ccccc2O)CC[NH2+]1 ZINC000083813944 711810370 /nfs/dbraw/zinc/81/03/70/711810370.db2.gz DDUVRVQHSFRSIB-SNVBAGLBSA-N 1 0 206.289 1.186 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCN2C)c1O ZINC000712537582 712442705 /nfs/dbraw/zinc/44/27/05/712442705.db2.gz FEOMFWGMFGZNJF-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO CN1CC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000712554862 712444872 /nfs/dbraw/zinc/44/48/72/712444872.db2.gz DGBMPTOLTCHSKK-LLVKDONJSA-N 1 0 224.279 1.325 20 10 BDCDRO OC/C=C/C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000717532497 712660801 /nfs/dbraw/zinc/66/08/01/712660801.db2.gz JWYPWEREGSHURQ-OWOJBTEDSA-N 1 0 219.284 1.260 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720907434 712877427 /nfs/dbraw/zinc/87/74/27/712877427.db2.gz NARDPSAOOKWXQY-KYZUINATSA-N 1 0 241.718 1.906 20 10 BDCDRO Cc1cccc(CN(C)[C@@H](C)C[NH3+])c1O ZINC000381714513 710682977 /nfs/dbraw/zinc/68/29/77/710682977.db2.gz KVGCRVPACSWWBR-JTQLQIEISA-N 1 0 208.305 1.480 20 10 BDCDRO COC[C@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000382551130 710973427 /nfs/dbraw/zinc/97/34/27/710973427.db2.gz HMJIGOARQUTUGC-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO CC[C@H]([NH2+]Cc1cccc(OC)c1O)[C@H](C)O ZINC000386831408 711036904 /nfs/dbraw/zinc/03/69/04/711036904.db2.gz HVKRROJYBZMLPB-ONGXEEELSA-N 1 0 239.315 1.650 20 10 BDCDRO Cc1nnc([C@@H](C)[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000392370902 711144539 /nfs/dbraw/zinc/14/45/39/711144539.db2.gz LGKSHBYDPJSUPE-SECBINFHSA-N 1 0 246.314 1.978 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]CCn1cccn1)CC2 ZINC000394143687 711186402 /nfs/dbraw/zinc/18/64/02/711186402.db2.gz MTMQPONQDYTTBA-LBPRGKRZSA-N 1 0 243.310 1.866 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+]C(C)(C)C2)c1 ZINC000396061158 711219914 /nfs/dbraw/zinc/21/99/14/711219914.db2.gz JYPLPAQJUJSJMP-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO Oc1ccccc1C[NH2+]CCc1cnccn1 ZINC000389983343 711102394 /nfs/dbraw/zinc/10/23/94/711102394.db2.gz YVRDYYVZPTZXNU-UHFFFAOYSA-N 1 0 229.283 1.515 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCCN(C)C2)cc1 ZINC000040671656 711483338 /nfs/dbraw/zinc/48/33/38/711483338.db2.gz KSWFPOAPRRLWTF-AWEZNQCLSA-N 1 0 247.386 1.936 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724984929 711640613 /nfs/dbraw/zinc/64/06/13/711640613.db2.gz DZPKBTVLZZCCAW-YXMLORGKSA-N 1 0 237.274 1.534 20 10 BDCDRO Cc1ccc(O)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000385324052 711692190 /nfs/dbraw/zinc/69/21/90/711692190.db2.gz SCPBWOAMOONUSX-YPMHNXCESA-N 1 0 232.327 1.494 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCc2cn(C)cn2)c1 ZINC000313311741 711717166 /nfs/dbraw/zinc/71/71/66/711717166.db2.gz YGGCQNTXYZIKLA-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000161364645 711811417 /nfs/dbraw/zinc/81/14/17/711811417.db2.gz PUUJPRYFYWJEQB-GHMZBOCLSA-N 1 0 249.358 1.667 20 10 BDCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCOC1=O ZINC000700926514 712010510 /nfs/dbraw/zinc/01/05/10/712010510.db2.gz QOKZOCBRTKHTMY-CYBMUJFWSA-N 1 0 246.310 1.213 20 10 BDCDRO COCC(COC)[N@H+](C)Cc1ccccc1O ZINC000702105708 712038572 /nfs/dbraw/zinc/03/85/72/712038572.db2.gz ABJIGTOXECCNCT-UHFFFAOYSA-N 1 0 239.315 1.485 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCOCCF)cc1 ZINC000705796085 712137123 /nfs/dbraw/zinc/13/71/23/712137123.db2.gz ZGQDZOPPZOGHDR-UHFFFAOYSA-N 1 0 240.322 1.828 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccccc1O ZINC000711276739 712292666 /nfs/dbraw/zinc/29/26/66/712292666.db2.gz BZHCWEKDEPYRQH-NSHDSACASA-N 1 0 248.326 1.254 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+][C@H](C)[C@H]2C)c1 ZINC000379473033 712385348 /nfs/dbraw/zinc/38/53/48/712385348.db2.gz UKARXLNTWNJFGE-VXGBXAGGSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@@H]1[NH2+]CCN(Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000379472686 712385524 /nfs/dbraw/zinc/38/55/24/712385524.db2.gz SYFZBMOIWSHATP-STQMWFEESA-N 1 0 247.386 1.935 20 10 BDCDRO Cc1cc(O)c(C[N@@H+](C)[C@@H]2CCNC2=O)cc1C ZINC000758398393 712408526 /nfs/dbraw/zinc/40/85/26/712408526.db2.gz NOXJVKPWNVHYHY-GFCCVEGCSA-N 1 0 248.326 1.329 20 10 BDCDRO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccccc1O ZINC000037225423 712554764 /nfs/dbraw/zinc/55/47/64/712554764.db2.gz COTDUYIQPCTJMP-SECBINFHSA-N 1 0 222.288 1.131 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H](O)C(F)F ZINC000716729794 712571097 /nfs/dbraw/zinc/57/10/97/712571097.db2.gz BCQOCAQGZYZQEE-SNVBAGLBSA-N 1 0 249.232 1.637 20 10 BDCDRO OC/C=C\C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000717532239 712660532 /nfs/dbraw/zinc/66/05/32/712660532.db2.gz IJADYHRJSWGVKJ-RFMOXSJOSA-N 1 0 219.284 1.518 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]C/C=C/CO)c(O)c1 ZINC000717531295 712660587 /nfs/dbraw/zinc/66/05/87/712660587.db2.gz DPJUROGCWZQKRK-UFFNRZRYSA-N 1 0 221.300 1.900 20 10 BDCDRO C[C@@H]([NH2+]C/C=C/CO)c1ccc(N(C)C)cc1 ZINC000717533754 712660660 /nfs/dbraw/zinc/66/06/60/712660660.db2.gz YJTDVHJFSQIZPD-ZYOFXKKJSA-N 1 0 234.343 1.952 20 10 BDCDRO OC[C@H]([NH2+]Cc1cc(F)ccc1O)C1CCC1 ZINC000717626644 712661677 /nfs/dbraw/zinc/66/16/77/712661677.db2.gz RRLJDKBRVSGPDO-LBPRGKRZSA-N 1 0 239.290 1.782 20 10 BDCDRO CN1CC[C@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000380211690 712726531 /nfs/dbraw/zinc/72/65/31/712726531.db2.gz HYELYVPSKVIFFA-RYUDHWBXSA-N 1 0 232.327 1.673 20 10 BDCDRO CC[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801171 712758836 /nfs/dbraw/zinc/75/88/36/712758836.db2.gz MRCBIXLYLNTNBP-ZDUSSCGKSA-N 1 0 249.358 1.448 20 10 BDCDRO CN(C)c1ccc(CN2CCC[NH2+]CC2)cc1 ZINC000038086923 712806682 /nfs/dbraw/zinc/80/66/82/712806682.db2.gz VTOYOIAORUPNRT-UHFFFAOYSA-N 1 0 233.359 1.548 20 10 BDCDRO C[C@H]1[C@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1C ZINC000719566353 712810269 /nfs/dbraw/zinc/81/02/69/712810269.db2.gz XSEYYWZAIPWEMH-SWLSCSKDSA-N 1 0 247.386 1.935 20 10 BDCDRO C[C@H]1[C@@H]([NH2+]Cc2ccccc2O)CCN1C ZINC000719579657 712812748 /nfs/dbraw/zinc/81/27/48/712812748.db2.gz IRSGNGYTYCIVTL-JQWIXIFHSA-N 1 0 220.316 1.574 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCN(C)[C@@H]2C)c1O ZINC000719647672 712819892 /nfs/dbraw/zinc/81/98/92/712819892.db2.gz NZYNKOBMUYSWPU-YPMHNXCESA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)c1cc(F)ccc1O ZINC000720908044 712877538 /nfs/dbraw/zinc/87/75/38/712877538.db2.gz TVRWWJFQSJCONN-KKZNHRDASA-N 1 0 239.290 1.953 20 10 BDCDRO C[C@]1(O)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277219 966960861 /nfs/dbraw/zinc/96/08/61/966960861.db2.gz WQKGXYQBLRPXNV-LBPRGKRZSA-N 1 0 223.272 1.055 20 10 BDCDRO CC(C)[C@H]([NH3+])CNCc1ccc(N)cc1 ZINC001336284796 977615344 /nfs/dbraw/zinc/61/53/44/977615344.db2.gz DEXRZBJVZYSAIU-GFCCVEGCSA-N 1 0 207.321 1.342 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2ccc(O)cc2O)C1 ZINC000405742127 971300369 /nfs/dbraw/zinc/30/03/69/971300369.db2.gz PQRAOCSKBNKAPN-GFCCVEGCSA-N 1 0 222.288 1.021 20 10 BDCDRO C[C@H]1CC[C@H](Oc2ccc(N)cc2)C[NH2+]1 ZINC001218396046 971772941 /nfs/dbraw/zinc/77/29/41/971772941.db2.gz ZIPOTNCMKSHPPD-CABZTGNLSA-N 1 0 206.289 1.788 20 10 BDCDRO [NH3+][C@@H](CC1CCC1)C(=O)NCc1ccccc1O ZINC001219923407 972113744 /nfs/dbraw/zinc/11/37/44/972113744.db2.gz LLWMXWOSHQBLHP-LBPRGKRZSA-N 1 0 248.326 1.526 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CCNC2=O)c1 ZINC000693891074 959481365 /nfs/dbraw/zinc/48/13/65/959481365.db2.gz LFJUGMTZEPWJHF-KOLCDFICSA-N 1 0 234.299 1.240 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001140617505 960459227 /nfs/dbraw/zinc/45/92/27/960459227.db2.gz RUXSVCZKMHJNIZ-DGCLKSJQSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@@H](F)C2)c1O ZINC001140743898 960546327 /nfs/dbraw/zinc/54/63/27/960546327.db2.gz DMVCRLXHWBJCHL-SNVBAGLBSA-N 1 0 225.263 1.950 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCCC23COC3)c1O ZINC001140745893 960549949 /nfs/dbraw/zinc/54/99/49/960549949.db2.gz PCONHCLLSIKJOL-UHFFFAOYSA-N 1 0 249.310 1.771 20 10 BDCDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC000092455612 960808012 /nfs/dbraw/zinc/80/80/12/960808012.db2.gz UVXWVXVMHMDCPS-JTQLQIEISA-N 1 0 223.272 1.055 20 10 BDCDRO COc1cc(O)c(C[NH+]2CCC2)c(OC)c1 ZINC001141032353 960825178 /nfs/dbraw/zinc/82/51/78/960825178.db2.gz ZHMQTDMYONODJP-UHFFFAOYSA-N 1 0 223.272 1.615 20 10 BDCDRO C[C@]1(O)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156304 960890436 /nfs/dbraw/zinc/89/04/36/960890436.db2.gz JCKJZSJQEAZDKD-LBPRGKRZSA-N 1 0 223.272 1.055 20 10 BDCDRO COC1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141156382 960892705 /nfs/dbraw/zinc/89/27/05/960892705.db2.gz VQPHTWUWZRIBOO-UHFFFAOYSA-N 1 0 237.299 1.709 20 10 BDCDRO C[C@]1(O)CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160236 960897209 /nfs/dbraw/zinc/89/72/09/960897209.db2.gz UQAUYHAWVKQWAL-ZDUSSCGKSA-N 1 0 237.299 1.445 20 10 BDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1cc(O)ccc1O ZINC001141160453 960897774 /nfs/dbraw/zinc/89/77/74/960897774.db2.gz YWMXOXJSXMRJTD-TXEJJXNPSA-N 1 0 248.326 1.376 20 10 BDCDRO COC[C@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000234787067 961642089 /nfs/dbraw/zinc/64/20/89/961642089.db2.gz YZOPTCRMNPQCSM-JTQLQIEISA-N 1 0 245.706 1.143 20 10 BDCDRO CC1([NH3+])CN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001204966485 963025842 /nfs/dbraw/zinc/02/58/42/963025842.db2.gz XCPXXIRTCUGSOC-UHFFFAOYSA-N 1 0 245.370 1.820 20 10 BDCDRO Cc1cc(CN2CC[C@](C)([NH3+])C2)ccc1N(C)C ZINC001204782647 963536176 /nfs/dbraw/zinc/53/61/76/963536176.db2.gz HZINXQCBZTYJPM-HNNXBMFYSA-N 1 0 247.386 1.984 20 10 BDCDRO Cc1cc(CN2CC[C@@](C)([NH3+])C2)ccc1N(C)C ZINC001204782648 963538038 /nfs/dbraw/zinc/53/80/38/963538038.db2.gz HZINXQCBZTYJPM-OAHLLOKOSA-N 1 0 247.386 1.984 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2ccc(Cl)cc2O)C1 ZINC001204782834 963540171 /nfs/dbraw/zinc/54/01/71/963540171.db2.gz KSFFUMQUYMUOLN-LBPRGKRZSA-N 1 0 240.734 1.969 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@@H]2CO)c1O ZINC000224886263 965196751 /nfs/dbraw/zinc/19/67/51/965196751.db2.gz YOEFETNRHUJYQX-CHWSQXEVSA-N 1 0 235.327 1.951 20 10 BDCDRO CC(C)N(CCC[NH3+])c1ccc2c(c1)OCO2 ZINC001164126760 965750590 /nfs/dbraw/zinc/75/05/90/965750590.db2.gz IUISXFCQICZYBP-UHFFFAOYSA-N 1 0 236.315 1.979 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc(Cn3ccnc3)cc2)C1 ZINC001164282077 965826903 /nfs/dbraw/zinc/82/69/03/965826903.db2.gz SHXYXMNRLLXMQM-ZDUSSCGKSA-N 1 0 242.326 1.469 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc([C@H]3CCC(=O)N3)cc2)C1 ZINC001164287972 965832150 /nfs/dbraw/zinc/83/21/50/965832150.db2.gz LCJHYCFVMXEZKQ-WCQYABFASA-N 1 0 245.326 1.175 20 10 BDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cccc(F)c1O)C2 ZINC001235978658 966195029 /nfs/dbraw/zinc/19/50/29/966195029.db2.gz JOKWESSICKZHHX-ZWNOBZJWSA-N 1 0 236.290 1.454 20 10 BDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc(F)ccc1O)C2 ZINC001235994752 966218189 /nfs/dbraw/zinc/21/81/89/966218189.db2.gz QCJUIBPVYRBYJO-GXFFZTMASA-N 1 0 236.290 1.454 20 10 BDCDRO CCc1cccc(C[NH2+]CCN2CCC2)c1O ZINC000699997710 966304101 /nfs/dbraw/zinc/30/41/01/966304101.db2.gz ZPZULNKSUFWNOB-UHFFFAOYSA-N 1 0 234.343 1.750 20 10 BDCDRO CN(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC001236283422 966330568 /nfs/dbraw/zinc/33/05/68/966330568.db2.gz GXCQIWQEZXWQEI-OCCSQVGLSA-N 1 0 231.343 1.156 20 10 BDCDRO O=C1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC001203551546 966685422 /nfs/dbraw/zinc/68/54/22/966685422.db2.gz HUSXYNQJVVANOZ-UHFFFAOYSA-N 1 0 219.284 1.947 20 10 BDCDRO CN1CC2(C1)C[NH+](Cc1ccccc1O)C2 ZINC001203563014 966691255 /nfs/dbraw/zinc/69/12/55/966691255.db2.gz SUFGSMMDDHUGRQ-UHFFFAOYSA-N 1 0 218.300 1.140 20 10 BDCDRO O=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(O)c(O)c1 ZINC001203878907 966805894 /nfs/dbraw/zinc/80/58/94/966805894.db2.gz YESFJFDTHJQJFZ-PHIMTYICSA-N 1 0 247.294 1.794 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C[C@@H]1O ZINC001203876052 966806657 /nfs/dbraw/zinc/80/66/57/966806657.db2.gz ZZRZTMACERZEII-RNCFNFMXSA-N 1 0 237.299 1.301 20 10 BDCDRO Oc1ccc(C[N@H+]2CCC[C@@H](O)CC2)cc1O ZINC001203875299 966807175 /nfs/dbraw/zinc/80/71/75/966807175.db2.gz KMKYDWJQKLGXHM-LLVKDONJSA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)cc1O ZINC001203880558 966808257 /nfs/dbraw/zinc/80/82/57/966808257.db2.gz VLUQTLYETIABGL-SMDDNHRTSA-N 1 0 249.310 1.709 20 10 BDCDRO Oc1ccc(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001204272304 966952559 /nfs/dbraw/zinc/95/25/59/966952559.db2.gz MXWCFIYBLBBVIM-UHFFFAOYSA-N 1 0 235.283 1.176 20 10 BDCDRO C[C@@H]1COCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204273129 966953072 /nfs/dbraw/zinc/95/30/72/966953072.db2.gz ZDBOUDGFPROVKI-JTQLQIEISA-N 1 0 237.299 1.566 20 10 BDCDRO Oc1ccc(C[NH+]2CC3(C2)CCOCC3)c(O)c1 ZINC001204275844 966954869 /nfs/dbraw/zinc/95/48/69/966954869.db2.gz ZONKHEZBCGOVFF-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1ccc(O)cc1O ZINC001204276593 966956046 /nfs/dbraw/zinc/95/60/46/966956046.db2.gz NZZVUDAQAHZRKM-ONGXEEELSA-N 1 0 237.299 1.443 20 10 BDCDRO C[N@H+](Cc1ccc(O)cc1O)[C@@H]1CCCOC1 ZINC001204281716 966960376 /nfs/dbraw/zinc/96/03/76/966960376.db2.gz HGUFHVAPDMHEDK-LLVKDONJSA-N 1 0 237.299 1.709 20 10 BDCDRO Cc1c(O)ccc(CN2CC[C@@](C)([NH3+])C2)c1O ZINC001204782443 967167290 /nfs/dbraw/zinc/16/72/90/967167290.db2.gz DNARCWOMKIZKTL-CYBMUJFWSA-N 1 0 236.315 1.329 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc(OC(F)F)cc2F)C1 ZINC001164281443 968206016 /nfs/dbraw/zinc/20/60/16/968206016.db2.gz CNWJTVVFZJYKJY-ZETCQYMHSA-N 1 0 246.232 1.965 20 10 BDCDRO CC1(C[NH3+])CN(Cc2ccc(N)cc2)C1 ZINC001206729764 968445150 /nfs/dbraw/zinc/44/51/50/968445150.db2.gz JZSYLWJKLLYODM-UHFFFAOYSA-N 1 0 205.305 1.049 20 10 BDCDRO COC(=O)C1(C[NH2+]Cc2ccc(N)cc2)CC1 ZINC001120269660 968549598 /nfs/dbraw/zinc/54/95/98/968549598.db2.gz XRJDHOBWICVHJU-UHFFFAOYSA-N 1 0 234.299 1.312 20 10 BDCDRO Cc1cc(N(C)C)ncc1-c1ccn(C)c(=O)c1 ZINC001240986100 968844043 /nfs/dbraw/zinc/84/40/43/968844043.db2.gz LNIJUOGRBVCYHI-UHFFFAOYSA-N 1 0 243.310 1.822 20 10 BDCDRO CC[N@@H+](Cc1ccccc1O)C[C@H](O)COC ZINC001252818754 969015518 /nfs/dbraw/zinc/01/55/18/969015518.db2.gz CNOGSPLWXRKDCP-LBPRGKRZSA-N 1 0 239.315 1.221 20 10 BDCDRO COc1c[nH+]ccc1Nc1ccccc1O ZINC001211263703 970209176 /nfs/dbraw/zinc/20/91/76/970209176.db2.gz ZVRNVFWLSIXGLU-UHFFFAOYSA-N 1 0 216.240 1.961 20 10 BDCDRO C[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)CO1 ZINC000401968297 970755461 /nfs/dbraw/zinc/75/54/61/970755461.db2.gz IBLUXNBKZIKOMC-GXSJLCMTSA-N 1 0 207.273 1.659 20 10 BDCDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000234898688 973782362 /nfs/dbraw/zinc/78/23/62/973782362.db2.gz WHBSTPBZUBAACS-PSASIEDQSA-N 1 0 243.278 1.189 20 10 BDCDRO CC(C)C[C@@H](CN)[NH2+]Cc1ccc(N)cc1 ZINC001334754244 976623065 /nfs/dbraw/zinc/62/30/65/976623065.db2.gz MSOWUDXMPLRXJC-ZDUSSCGKSA-N 1 0 221.348 1.732 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)[C@H]1C ZINC001335290428 976933553 /nfs/dbraw/zinc/93/35/53/976933553.db2.gz WJWKAZAPSZOMAY-GXFFZTMASA-N 1 0 248.326 1.652 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001231841907 977763730 /nfs/dbraw/zinc/76/37/30/977763730.db2.gz GQCPZJJQYXIGHD-UHFFFAOYSA-N 1 0 233.311 1.841 20 10 BDCDRO C[N@@H+](Cc1cc(O)c(O)c(O)c1)CC1CC1 ZINC001233010073 978404895 /nfs/dbraw/zinc/40/48/95/978404895.db2.gz KAAANHGUMWJJLX-UHFFFAOYSA-N 1 0 223.272 1.645 20 10 BDCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)[C@@H]1CCOC1 ZINC001233012066 978415145 /nfs/dbraw/zinc/41/51/45/978415145.db2.gz IQDOVPLPDHLYJQ-SECBINFHSA-N 1 0 239.271 1.024 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332453 978566913 /nfs/dbraw/zinc/56/69/13/978566913.db2.gz LTCBXZAVGORJPS-QMMMGPOBSA-N 1 0 243.253 1.891 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233332597 978569330 /nfs/dbraw/zinc/56/93/30/978569330.db2.gz QIDKPGYKIQAYQG-SFYZADRCSA-N 1 0 243.253 1.626 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CC3CC(C3)C2)cc1O ZINC001233486916 978613802 /nfs/dbraw/zinc/61/38/02/978613802.db2.gz IAFDEXWZTWORHX-UHFFFAOYSA-N 1 0 235.283 1.645 20 10 BDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cccc(F)c2O)C1 ZINC001206412575 978817136 /nfs/dbraw/zinc/81/71/36/978817136.db2.gz BADJXFHDBVLLTJ-ZJUUUORDSA-N 1 0 242.269 1.402 20 10 BDCDRO Oc1c(F)cccc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235042085 978960609 /nfs/dbraw/zinc/96/06/09/978960609.db2.gz OZDPPFPZUNUNME-NWDGAFQWSA-N 1 0 236.290 1.468 20 10 BDCDRO Nc1ccc(CN2CCCC[C@@]23CC[NH2+]C3)cc1 ZINC001235121583 978978701 /nfs/dbraw/zinc/97/87/01/978978701.db2.gz YAYPBGDWHIZPCS-HNNXBMFYSA-N 1 0 245.370 1.987 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cccc(F)c1O)C2 ZINC001235160454 978983136 /nfs/dbraw/zinc/98/31/36/978983136.db2.gz LPXKGDLMROLLFW-GXFFZTMASA-N 1 0 236.290 1.454 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1c(O)cccc1F)C2 ZINC001235161309 978985411 /nfs/dbraw/zinc/98/54/11/978985411.db2.gz ORZHIGFCMVGTMA-TVQRCGJNSA-N 1 0 236.290 1.454 20 10 BDCDRO Nc1ccc(CC(=O)N2CC[C@@H](CC[NH3+])C2)cc1 ZINC001341123531 979239503 /nfs/dbraw/zinc/23/95/03/979239503.db2.gz PNDATPNLDCCVMU-GFCCVEGCSA-N 1 0 247.342 1.009 20 10 BDCDRO [NH3+][C@@]12CC[C@H]1CN(Cc1cc(O)ccc1O)C2 ZINC001235991232 979282060 /nfs/dbraw/zinc/28/20/60/979282060.db2.gz KSLPVTZRHNSMLL-GXFFZTMASA-N 1 0 234.299 1.021 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1ccc(Cl)cc1O)C2 ZINC001236024462 979319292 /nfs/dbraw/zinc/31/92/92/979319292.db2.gz IWSLAYOOLHRBSU-BXKDBHETSA-N 1 0 238.718 1.579 20 10 BDCDRO Cc1cc(CN2C[C@H]3C[NH2+]C[C@@H]32)ccc1N(C)C ZINC001236286100 979489742 /nfs/dbraw/zinc/48/97/42/979489742.db2.gz KTRAKLWWKNJKTL-HIFRSBDPSA-N 1 0 245.370 1.465 20 10 BDCDRO CCc1ccc(C[N@@H+]2CCCNC(=O)C2)c(O)c1 ZINC001236784717 979734985 /nfs/dbraw/zinc/73/49/85/979734985.db2.gz ZFMZPJPRYCQDTC-UHFFFAOYSA-N 1 0 248.326 1.277 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC2(CC(O)C2)C1 ZINC001237483946 979910305 /nfs/dbraw/zinc/91/03/05/979910305.db2.gz WIGARRJCRFPSKP-UHFFFAOYSA-N 1 0 233.311 1.657 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@H](O)C1 ZINC001237485732 979911080 /nfs/dbraw/zinc/91/10/80/979911080.db2.gz QXUDXMQLPMXTFL-BXUZGUMPSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cc(F)cc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC001238060582 980132280 /nfs/dbraw/zinc/13/22/80/980132280.db2.gz CBGSDFWVTRHHAM-SNVBAGLBSA-N 1 0 239.290 1.654 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC001349363439 981536508 /nfs/dbraw/zinc/53/65/08/981536508.db2.gz YJGIMRZYMLYHNZ-VXGBXAGGSA-N 1 0 233.315 1.725 20 10 BDCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882546 982587936 /nfs/dbraw/zinc/58/79/36/982587936.db2.gz KWCSZQZJMSGRMZ-GXSJLCMTSA-N 1 0 237.299 1.443 20 10 BDCDRO C[NH2+]C[C@@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC001353489438 982869911 /nfs/dbraw/zinc/86/99/11/982869911.db2.gz BVEVGMQVGSAILE-SECBINFHSA-N 1 0 249.314 1.025 20 10 BDCDRO CCCC[C@@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001252115193 983703067 /nfs/dbraw/zinc/70/30/67/983703067.db2.gz RHPJPKHHAOFGML-LLVKDONJSA-N 1 0 239.315 1.739 20 10 BDCDRO C[C@H](NC(=O)[C@H]1CCC[C@H]1[NH3+])c1ccccc1O ZINC001579482740 986001888 /nfs/dbraw/zinc/00/18/88/986001888.db2.gz SAFYUEUXMXKPBF-ZMLRMANQSA-N 1 0 248.326 1.697 20 10 BDCDRO Oc1cc(Cl)ccc1C[NH2+][C@@H]1CC[C@H]1O ZINC001462629942 986466773 /nfs/dbraw/zinc/46/67/73/986466773.db2.gz QEXWHSVIGZSMPV-NXEZZACHSA-N 1 0 227.691 1.659 20 10 BDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000694392401 987323623 /nfs/dbraw/zinc/32/36/23/987323623.db2.gz GNXPMWPGDMTQOL-KGLIPLIRSA-N 1 0 233.311 1.889 20 10 BDCDRO C[NH2+]CCNCc1ccc(N2CCCC2)cc1 ZINC001118018715 987987575 /nfs/dbraw/zinc/98/75/75/987987575.db2.gz JCOZLFUXYFYTKW-UHFFFAOYSA-N 1 0 233.359 1.596 20 10 BDCDRO O[C@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001324716956 988940657 /nfs/dbraw/zinc/94/06/57/988940657.db2.gz STILPYBQCLSXNP-HNNXBMFYSA-N 1 0 246.354 1.853 20 10 BDCDRO CC[C@@]1(C(=O)NCc2ccc(N)cc2)CCC[NH2+]1 ZINC001515330957 989025091 /nfs/dbraw/zinc/02/50/91/989025091.db2.gz CGYXENWDRGGRGE-AWEZNQCLSA-N 1 0 247.342 1.417 20 10 BDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N)cc1)[C@H](C)[NH3+] ZINC001515331484 989025339 /nfs/dbraw/zinc/02/53/39/989025339.db2.gz FFDFRQPUJDECCT-GXFFZTMASA-N 1 0 249.358 1.504 20 10 BDCDRO CC(C)[C@@H](C(=O)NCc1ccc(N)cc1)[C@@H](C)[NH3+] ZINC001515331488 989027407 /nfs/dbraw/zinc/02/74/07/989027407.db2.gz FFDFRQPUJDECCT-ZWNOBZJWSA-N 1 0 249.358 1.504 20 10 BDCDRO CC[C@@H]([NH2+]Cc1c(O)cccc1OC)[C@@H](C)O ZINC001325133331 989099375 /nfs/dbraw/zinc/09/93/75/989099375.db2.gz PIVRNMDTXAPWHX-MWLCHTKSSA-N 1 0 239.315 1.650 20 10 BDCDRO COC(=O)Cc1ccc(C[N@H+](C)C2CC2)c(O)c1 ZINC001249173011 989265195 /nfs/dbraw/zinc/26/51/95/989265195.db2.gz PQAKQFOVYXCVFU-UHFFFAOYSA-N 1 0 249.310 1.702 20 10 BDCDRO CN(Cc1ccc(N)cc1)C1(C[NH3+])CCC1 ZINC001120268187 989621217 /nfs/dbraw/zinc/62/12/17/989621217.db2.gz BKTKTHQJQZKLJN-UHFFFAOYSA-N 1 0 219.332 1.582 20 10 BDCDRO O=C(NCc1ccccc1O)[C@]12C[C@H]1CCC[NH2+]2 ZINC001521568327 989747207 /nfs/dbraw/zinc/74/72/07/989747207.db2.gz VDMOZUKVYLEFED-RISCZKNCSA-N 1 0 246.310 1.151 20 10 BDCDRO CC(=O)CN(C)Cc1cccc(F)c1O ZINC001138124081 990886401 /nfs/dbraw/zinc/88/64/01/990886401.db2.gz YQOQOBYOEKUOEN-UHFFFAOYSA-N 1 0 211.236 1.552 20 10 BDCDRO C[C@@H](O)[C@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001560075186 991370133 /nfs/dbraw/zinc/37/01/33/991370133.db2.gz VUILRLCLBRBOLM-IVZWLZJFSA-N 1 0 209.289 1.812 20 10 BDCDRO C[C@@H]([NH2+][C@H](C)[C@H](C)O)c1ccccc1O ZINC001560075185 991371163 /nfs/dbraw/zinc/37/11/63/991371163.db2.gz VUILRLCLBRBOLM-BBBLOLIVSA-N 1 0 209.289 1.812 20 10 BDCDRO CC(=O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140059904 991506402 /nfs/dbraw/zinc/50/64/02/991506402.db2.gz AJEWANSRXVJGCN-JTQLQIEISA-N 1 0 237.274 1.942 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC001140178166 991549661 /nfs/dbraw/zinc/54/96/61/991549661.db2.gz BKHBDEMPGBQVLQ-CQSZACIVSA-N 1 0 235.327 1.966 20 10 BDCDRO CC(=O)NC1C[NH+](Cc2c(C)ccc(C)c2O)C1 ZINC001140182072 991552115 /nfs/dbraw/zinc/55/21/15/991552115.db2.gz HVEXDDZHMBWFMJ-UHFFFAOYSA-N 1 0 248.326 1.329 20 10 BDCDRO C[NH+](C)C1CN(Cc2ccc(Cl)cc2O)C1 ZINC001140461053 991643469 /nfs/dbraw/zinc/64/34/69/991643469.db2.gz CQMPIMXNMCNRJB-UHFFFAOYSA-N 1 0 240.734 1.791 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)[C@H](C)O1 ZINC001262487803 992893008 /nfs/dbraw/zinc/89/30/08/992893008.db2.gz GKXPKUGRVLCITK-NRUUGDAUSA-N 1 0 220.316 1.924 20 10 BDCDRO C[C@@H](C[NH3+])N(C)Cc1ccc(Cl)cc1O ZINC001576006674 993156498 /nfs/dbraw/zinc/15/64/98/993156498.db2.gz VWHKPTXPGPMGBY-QMMMGPOBSA-N 1 0 228.723 1.825 20 10 BDCDRO CCN1CC[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000389574797 993753618 /nfs/dbraw/zinc/75/36/18/993753618.db2.gz WYDQJZYSFRWUAV-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1cc(O)c(C[N@H+](C)CCC(N)=O)cc1C ZINC000289709743 178194977 /nfs/dbraw/zinc/19/49/77/178194977.db2.gz OXNRYXZEEKOXQK-UHFFFAOYSA-N 1 0 236.315 1.316 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H](O)C3(CC3)C2)cc1C ZINC000373515310 178196534 /nfs/dbraw/zinc/19/65/34/178196534.db2.gz JWXYCRQVNOBYGT-AWEZNQCLSA-N 1 0 247.338 1.966 20 10 BDCDRO CCOc1cccc(C[N@H+](C)CCO)c1O ZINC000077010017 398251539 /nfs/dbraw/zinc/25/15/39/398251539.db2.gz WWVKJEWHTZFWNX-UHFFFAOYSA-N 1 0 225.288 1.215 20 10 BDCDRO CCC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000295021952 398264495 /nfs/dbraw/zinc/26/44/95/398264495.db2.gz UXQOXDYBDXZFBN-LBPRGKRZSA-N 1 0 223.316 1.985 20 10 BDCDRO CCOc1cccc(C[NH2+][C@H](CC)CO)c1O ZINC000020195034 342975587 /nfs/dbraw/zinc/97/55/87/342975587.db2.gz ISLXXYOOFICIMX-LLVKDONJSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1O ZINC000036977397 343329416 /nfs/dbraw/zinc/32/94/16/343329416.db2.gz OQROCBIXQYSZNS-JQWIXIFHSA-N 1 0 248.326 1.712 20 10 BDCDRO CC[C@H]([NH2+][C@H](C)CO)c1ccccc1O ZINC000035602847 343299812 /nfs/dbraw/zinc/29/98/12/343299812.db2.gz YWQZBLCLTGPWSI-KOLCDFICSA-N 1 0 209.289 1.814 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@]1(O)CCOC1)CC2 ZINC000297091996 136376010 /nfs/dbraw/zinc/37/60/10/136376010.db2.gz XHHOBYKQPULUJF-BXUZGUMPSA-N 1 0 249.310 1.121 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCCOCC1 ZINC000132725853 344307290 /nfs/dbraw/zinc/30/72/90/344307290.db2.gz ZDVRZPZEJWMHDJ-UHFFFAOYSA-N 1 0 207.273 1.615 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)O)c1 ZINC000035629071 178803015 /nfs/dbraw/zinc/80/30/15/178803015.db2.gz WFPWAOXCHZCBEI-VHSXEESVSA-N 1 0 209.289 1.732 20 10 BDCDRO CC(=O)N1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000131776598 345307742 /nfs/dbraw/zinc/30/77/42/345307742.db2.gz ILERCZODEKJBAI-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO COc1cccc(C[N@H+](C)CC[C@@H](C)O)c1O ZINC000093481658 345673805 /nfs/dbraw/zinc/67/38/05/345673805.db2.gz XHGITXSJZWSIMW-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO Cc1cccc(C[N@@H+](C)CCN(C)C)c1O ZINC000165418180 179067884 /nfs/dbraw/zinc/06/78/84/179067884.db2.gz WIUZQONKWMQFDP-UHFFFAOYSA-N 1 0 222.332 1.694 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c1O ZINC000187987366 179093916 /nfs/dbraw/zinc/09/39/16/179093916.db2.gz BVFAMUXVBMKLCW-DGCLKSJQSA-N 1 0 235.327 1.951 20 10 BDCDRO CC(C)(O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000274765973 187401828 /nfs/dbraw/zinc/40/18/28/187401828.db2.gz QDMJWBDKCSZAOY-UHFFFAOYSA-N 1 0 235.327 1.872 20 10 BDCDRO CC[N@H+](Cc1cccc(OC)c1O)[C@H](C)CO ZINC000292774905 352328443 /nfs/dbraw/zinc/32/84/43/352328443.db2.gz KVNIHMUVAAKQAL-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO C[C@@]1(C(=O)Nc2ccc(N)cc2)CCC[NH2+]C1 ZINC000237517848 188190194 /nfs/dbraw/zinc/19/01/94/188190194.db2.gz CDIRJCSLFYDWDD-CYBMUJFWSA-N 1 0 233.315 1.597 20 10 BDCDRO NC(=O)C[N@H+](Cc1ccc(N)cc1)C1CCCC1 ZINC000035081202 181228918 /nfs/dbraw/zinc/22/89/18/181228918.db2.gz CEUYQGDVPSFVOX-UHFFFAOYSA-N 1 0 247.342 1.499 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC[C@H]2O)c1O ZINC000124848596 358528557 /nfs/dbraw/zinc/52/85/57/358528557.db2.gz RMVHUHXZIBJQJR-WCQYABFASA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297126843 364788451 /nfs/dbraw/zinc/78/84/51/364788451.db2.gz YTMGUYXZDVLFDU-WPRPVWTQSA-N 1 0 207.273 1.350 20 10 BDCDRO OCC[N@H+](Cc1ccccc1O)C1CCC1 ZINC000275975917 183070042 /nfs/dbraw/zinc/07/00/42/183070042.db2.gz LPAFXQHLDMVYOY-UHFFFAOYSA-N 1 0 221.300 1.739 20 10 BDCDRO Oc1ccc(Cl)cc1CN1CC[NH2+]CC1 ZINC000038086717 183272821 /nfs/dbraw/zinc/27/28/21/183272821.db2.gz RSXKMPXCUPCYIC-UHFFFAOYSA-N 1 0 226.707 1.451 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCOC1 ZINC000226584601 183275326 /nfs/dbraw/zinc/27/53/26/183275326.db2.gz YMIMDYNEPBIDNY-VIFPVBQESA-N 1 0 225.263 1.657 20 10 BDCDRO CCC[N@H+](CCCO)Cc1ccccc1O ZINC000264103645 169155359 /nfs/dbraw/zinc/15/53/59/169155359.db2.gz IXAOXGGDGNCROY-UHFFFAOYSA-N 1 0 223.316 1.987 20 10 BDCDRO CCC[N@H+](CCO)Cc1cc(F)ccc1O ZINC000179885275 169167131 /nfs/dbraw/zinc/16/71/31/169167131.db2.gz PWUKESANNDEQHU-UHFFFAOYSA-N 1 0 227.279 1.736 20 10 BDCDRO Oc1ccccc1C[NH+]1CC([C@H]2CCOC2)C1 ZINC000368443630 183301312 /nfs/dbraw/zinc/30/13/12/183301312.db2.gz UWLFLPNGCKLHQO-LBPRGKRZSA-N 1 0 233.311 1.861 20 10 BDCDRO CCN(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295831048 383858679 /nfs/dbraw/zinc/85/86/79/383858679.db2.gz DXNKFJJWHPHDME-GFCCVEGCSA-N 1 0 234.343 1.921 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)CCN(C)C)c1 ZINC000090502368 384054811 /nfs/dbraw/zinc/05/48/11/384054811.db2.gz GARQVGVPSKWBPU-UHFFFAOYSA-N 1 0 222.332 1.694 20 10 BDCDRO COC[C@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618278 384307258 /nfs/dbraw/zinc/30/72/58/384307258.db2.gz SEPVVXWBBRPPTM-PSASIEDQSA-N 1 0 243.278 1.189 20 10 BDCDRO C[C@@H](CO)C[NH2+][C@@H](C)c1ccccc1O ZINC000083215430 384291297 /nfs/dbraw/zinc/29/12/97/384291297.db2.gz VZSFWQZCKKDXQX-ZJUUUORDSA-N 1 0 209.289 1.671 20 10 BDCDRO C[C@@H]1C[C@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134228114 384340718 /nfs/dbraw/zinc/34/07/18/384340718.db2.gz YRVMBJJOFHNVQQ-BDAKNGLRSA-N 1 0 235.283 1.867 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)[C@H](C)O)c1 ZINC000160619295 384423130 /nfs/dbraw/zinc/42/31/30/384423130.db2.gz YSQHYYMFBDYLQH-JTQLQIEISA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@H](CCO)C[NH2+]Cc1ccccc1O ZINC000085126588 384491224 /nfs/dbraw/zinc/49/12/24/384491224.db2.gz GSUKVNRPUJPEKI-SNVBAGLBSA-N 1 0 209.289 1.500 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1O ZINC000050394510 384621045 /nfs/dbraw/zinc/62/10/45/384621045.db2.gz DCFJVIQDGRVSHP-KOLCDFICSA-N 1 0 234.299 1.321 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCCNC2=O)c(O)c1 ZINC000050394625 384621151 /nfs/dbraw/zinc/62/11/51/384621151.db2.gz LYGSUGXQOILARF-JQWIXIFHSA-N 1 0 248.326 1.630 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000127995391 384976880 /nfs/dbraw/zinc/97/68/80/384976880.db2.gz UOJFEJXYMIPTGK-GFCCVEGCSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)C[S@](C)=O)c1O ZINC000164410043 384982955 /nfs/dbraw/zinc/98/29/55/384982955.db2.gz XZLIAZLAGMVDIL-MGPLVRAMSA-N 1 0 241.356 1.557 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1cc(C)ccc1O ZINC000188466423 385056210 /nfs/dbraw/zinc/05/62/10/385056210.db2.gz CUBXGPVYDJAUHO-UHFFFAOYSA-N 1 0 222.288 1.008 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)CC1(CO)CC1 ZINC000188959167 385108292 /nfs/dbraw/zinc/10/82/92/385108292.db2.gz FRWPZLBIBUPWBF-UHFFFAOYSA-N 1 0 239.290 1.736 20 10 BDCDRO C[C@H](C(=O)NC1CC1)[N@H+](C)Cc1ccccc1O ZINC000109773588 385191089 /nfs/dbraw/zinc/19/10/89/385191089.db2.gz JTSYZOGFPJUQEV-SNVBAGLBSA-N 1 0 248.326 1.491 20 10 BDCDRO CC[C@@H]([NH2+]CCO)c1ccc(C)cc1O ZINC000279988724 385243203 /nfs/dbraw/zinc/24/32/03/385243203.db2.gz FEHVKSCHTZTDLB-LLVKDONJSA-N 1 0 209.289 1.734 20 10 BDCDRO C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166475728 385247924 /nfs/dbraw/zinc/24/79/24/385247924.db2.gz REFLUVKDOILXFI-JTQLQIEISA-N 1 0 247.342 1.032 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000050227704 385312379 /nfs/dbraw/zinc/31/23/79/385312379.db2.gz KRRNFZYQYCCCAB-JTQLQIEISA-N 1 0 226.707 1.579 20 10 BDCDRO C[C@H](CC[S@@](C)=O)[NH2+]Cc1ccccc1O ZINC000131298106 385324915 /nfs/dbraw/zinc/32/49/15/385324915.db2.gz RIHUFTMVZIWJMN-HWPZZCPQSA-N 1 0 241.356 1.639 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000157067680 385484184 /nfs/dbraw/zinc/48/41/84/385484184.db2.gz HNNNCGLMDAAQFR-LBPRGKRZSA-N 1 0 247.342 1.060 20 10 BDCDRO C[C@@H]([NH3+])C(=O)NCc1c(O)ccc2c1CCCC2 ZINC000157364345 385498462 /nfs/dbraw/zinc/49/84/62/385498462.db2.gz QXSRCUCOMYOENR-SECBINFHSA-N 1 0 248.326 1.234 20 10 BDCDRO COCC[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000281541127 385679234 /nfs/dbraw/zinc/67/92/34/385679234.db2.gz IQXSFCLNWLHEFE-WDEREUQCSA-N 1 0 239.315 1.440 20 10 BDCDRO Cc1nnsc1C[NH2+]Cc1ccccc1O ZINC000291807636 385729329 /nfs/dbraw/zinc/72/93/29/385729329.db2.gz XVDYNDWDFBEQMF-UHFFFAOYSA-N 1 0 235.312 1.842 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000271356141 385821599 /nfs/dbraw/zinc/82/15/99/385821599.db2.gz MHRSLCBDMAZGDG-LLVKDONJSA-N 1 0 235.283 1.387 20 10 BDCDRO CC(=O)N1CC[N@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000271468154 385830304 /nfs/dbraw/zinc/83/03/04/385830304.db2.gz YEUJYPYSUCPZEP-NSHDSACASA-N 1 0 248.326 1.445 20 10 BDCDRO CC(C)[C@](C)(C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262608795 385865060 /nfs/dbraw/zinc/86/50/60/385865060.db2.gz CQLLWHMDDUOCPI-AWEZNQCLSA-N 1 0 249.358 1.301 20 10 BDCDRO Cc1n[nH]cc1C[NH2+]Cc1ccccc1O ZINC000038011109 386110961 /nfs/dbraw/zinc/11/09/61/386110961.db2.gz PRFIYNPSHMPMNA-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO COc1cc(O)c(C[NH2+][C@@H](C)CF)cc1OC ZINC000289247166 386277249 /nfs/dbraw/zinc/27/72/49/386277249.db2.gz ASGBKBGWCHUWTA-QMMMGPOBSA-N 1 0 243.278 1.857 20 10 BDCDRO C[N@H+](CCc1cn[nH]c1)Cc1ccccc1O ZINC000290054275 386387207 /nfs/dbraw/zinc/38/72/07/386387207.db2.gz OYNUVMSCBYWRNG-UHFFFAOYSA-N 1 0 231.299 1.790 20 10 BDCDRO C[C@]1(C(=O)Nc2ccc(N)cc2)CCC[NH2+]C1 ZINC000237772563 386408010 /nfs/dbraw/zinc/40/80/10/386408010.db2.gz CDIRJCSLFYDWDD-ZDUSSCGKSA-N 1 0 233.315 1.597 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1cccc(OC)c1O ZINC000293755567 386669026 /nfs/dbraw/zinc/66/90/26/386669026.db2.gz XFVFHKAPEZKSJS-LLVKDONJSA-N 1 0 237.299 1.622 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)cc1 ZINC000279961763 386760479 /nfs/dbraw/zinc/76/04/79/386760479.db2.gz YJFPGJDNGOMTBR-AWEZNQCLSA-N 1 0 248.370 1.955 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000293616198 386849428 /nfs/dbraw/zinc/84/94/28/386849428.db2.gz KKPRLOWAGCQPFS-SNVBAGLBSA-N 1 0 225.263 1.752 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000372353266 387294258 /nfs/dbraw/zinc/29/42/58/387294258.db2.gz DKBWLDZPMAMPDY-CYBMUJFWSA-N 1 0 233.311 1.657 20 10 BDCDRO O=C1NCCC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296267226 388420001 /nfs/dbraw/zinc/42/00/01/388420001.db2.gz DMRSSOIAAXOKTO-QWRGUYRKSA-N 1 0 246.310 1.248 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](C)CCC(N)=O)c1 ZINC000289199580 389042445 /nfs/dbraw/zinc/04/24/45/389042445.db2.gz BINAOBYEHDDAMC-UHFFFAOYSA-N 1 0 222.288 1.008 20 10 BDCDRO COC[C@@H](C)[N@H+](C)Cc1cc(F)ccc1O ZINC000179946260 397854509 /nfs/dbraw/zinc/85/45/09/397854509.db2.gz XPYAMPIHHQYYAI-SECBINFHSA-N 1 0 227.279 1.998 20 10 BDCDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000134696785 167455167 /nfs/dbraw/zinc/45/51/67/167455167.db2.gz HNGBQJZUXFBWFI-ZDUSSCGKSA-N 1 0 235.327 1.728 20 10 BDCDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000129578665 167996352 /nfs/dbraw/zinc/99/63/52/167996352.db2.gz ZCALMRZPUBUJTQ-UONOGXRCSA-N 1 0 247.338 1.871 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000071407098 170088366 /nfs/dbraw/zinc/08/83/66/170088366.db2.gz RFGHMZXROOWQOT-SNVBAGLBSA-N 1 0 236.315 1.315 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000082506004 171184806 /nfs/dbraw/zinc/18/48/06/171184806.db2.gz MXLXQOKLFZVNPN-GFCCVEGCSA-N 1 0 209.289 1.643 20 10 BDCDRO CN1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000040671819 173046872 /nfs/dbraw/zinc/04/68/72/173046872.db2.gz AUQRQSFZISEMPH-LBPRGKRZSA-N 1 0 220.316 1.576 20 10 BDCDRO COCC[C@H](C)[NH2+]Cc1ccccc1O ZINC000082367508 174406423 /nfs/dbraw/zinc/40/64/23/174406423.db2.gz PHQORNODTINBNX-JTQLQIEISA-N 1 0 209.289 1.907 20 10 BDCDRO COCC[C@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000281250719 174412345 /nfs/dbraw/zinc/41/23/45/174412345.db2.gz MMUBJFXLMWBYGH-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO COc1ccc(C[NH2+]C(C)(C)CO)cc1C ZINC000037239080 175105346 /nfs/dbraw/zinc/10/53/46/175105346.db2.gz UIMWQCHYDVAQET-UHFFFAOYSA-N 1 0 223.316 1.864 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CO)c1 ZINC000020196989 175158306 /nfs/dbraw/zinc/15/83/06/175158306.db2.gz DKWJOUPZFKGZGJ-UHFFFAOYSA-N 1 0 225.288 1.261 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCO)c1 ZINC000132516971 175158743 /nfs/dbraw/zinc/15/87/43/175158743.db2.gz SNCVBTVCDSRCNY-VIFPVBQESA-N 1 0 225.288 1.261 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000164726239 175159461 /nfs/dbraw/zinc/15/94/61/175159461.db2.gz WJEAKVSQMSCISL-UWVGGRQHSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cn[nH]c2)c1 ZINC000038005753 175160945 /nfs/dbraw/zinc/16/09/45/175160945.db2.gz FNZRITCLDWSHPB-VIFPVBQESA-N 1 0 247.298 1.975 20 10 BDCDRO COc1cccc(C[N@H+](CCO)C2CC2)c1O ZINC000271083880 175257326 /nfs/dbraw/zinc/25/73/26/175257326.db2.gz SKCDWZSZYHDQCH-UHFFFAOYSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H](O)C2CC2)c1O ZINC000071299568 175264396 /nfs/dbraw/zinc/26/43/96/175264396.db2.gz LWABOBRPCLWZKV-LLVKDONJSA-N 1 0 237.299 1.261 20 10 BDCDRO C[C@@H](O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297542395 175961026 /nfs/dbraw/zinc/96/10/26/175961026.db2.gz FCNZENBVOXVPQQ-KOLCDFICSA-N 1 0 221.300 1.740 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC000022145276 176304871 /nfs/dbraw/zinc/30/48/71/176304871.db2.gz KDMDLLJWRQXWLR-SNVBAGLBSA-N 1 0 206.289 1.490 20 10 BDCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000134735118 177009913 /nfs/dbraw/zinc/00/99/13/177009913.db2.gz AKKCRFDCTQIEJJ-WDEREUQCSA-N 1 0 221.300 1.595 20 10 BDCDRO C[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1O ZINC000277914996 177297045 /nfs/dbraw/zinc/29/70/45/177297045.db2.gz PQNYJUPRZUSKRM-CMPLNLGQSA-N 1 0 221.300 1.907 20 10 BDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000843427561 582557035 /nfs/dbraw/zinc/55/70/35/582557035.db2.gz GMONDXUOBZMMFA-ZYHUDNBSSA-N 1 0 241.262 1.035 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1cccc(OC)c1O ZINC000853248722 588728752 /nfs/dbraw/zinc/72/87/52/588728752.db2.gz JDYRWGSAIPTUNW-VIFPVBQESA-N 1 0 224.304 1.098 20 10 BDCDRO CCOc1ccc(CN[C@@H](C)C[NH2+]C)c(O)c1 ZINC000853248656 588728809 /nfs/dbraw/zinc/72/88/09/588728809.db2.gz IEIWEMUKPUPGHA-JTQLQIEISA-N 1 0 238.331 1.488 20 10 BDCDRO [NH3+][C@@H]1CN(Cc2cc(F)ccc2O)CC[C@H]1F ZINC000853248169 588728926 /nfs/dbraw/zinc/72/89/26/588728926.db2.gz MRJCMKORSPKOTD-GHMZBOCLSA-N 1 0 242.269 1.402 20 10 BDCDRO C[NH2+]C[C@@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000853248710 588728986 /nfs/dbraw/zinc/72/89/86/588728986.db2.gz IUIPPLPXHQUSHD-CFHLNLSMSA-N 1 0 247.386 1.963 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1ccc(C)cc1O ZINC000854232556 588781308 /nfs/dbraw/zinc/78/13/08/588781308.db2.gz SKNSDZOCPDTFDI-MNOVXSKESA-N 1 0 222.332 1.959 20 10 BDCDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000892793018 582983351 /nfs/dbraw/zinc/98/33/51/582983351.db2.gz KIOAHMCMPNJZNB-JTQLQIEISA-N 1 0 249.310 1.663 20 10 BDCDRO CC(=O)N1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1 ZINC000857083884 588886484 /nfs/dbraw/zinc/88/64/84/588886484.db2.gz AHIMATTVFKNJIW-ZYHUDNBSSA-N 1 0 248.326 1.664 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000877468774 583317196 /nfs/dbraw/zinc/31/71/96/583317196.db2.gz MPXKOIGQVHSBHJ-NWDGAFQWSA-N 1 0 235.327 1.951 20 10 BDCDRO COc1cc(C[NH2+]Cc2cc(C)ccc2O)on1 ZINC000877635618 583341035 /nfs/dbraw/zinc/34/10/35/583341035.db2.gz ZDRDJCYPZMMYHY-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](CO)C1CC1 ZINC000894274111 583404783 /nfs/dbraw/zinc/40/47/83/583404783.db2.gz SHNXVVVXTFWTKD-GFCCVEGCSA-N 1 0 221.300 1.561 20 10 BDCDRO CC1=NO[C@@H](C[NH2+]Cc2cc(C)ccc2O)C1 ZINC000895308539 583646560 /nfs/dbraw/zinc/64/65/60/583646560.db2.gz MRKCPXSVMOKDMK-GFCCVEGCSA-N 1 0 234.299 1.955 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1 ZINC000895316544 583648496 /nfs/dbraw/zinc/64/84/96/583648496.db2.gz PIQYRIQWRUXPJT-GFCCVEGCSA-N 1 0 248.326 1.315 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC1CSC1 ZINC000895423020 583673763 /nfs/dbraw/zinc/67/37/63/583673763.db2.gz UTSUZUAVKPNYAE-UHFFFAOYSA-N 1 0 239.340 1.853 20 10 BDCDRO CC1(C)OC[C@H](C[N@@H+]2Cc3cccc(O)c3C2)O1 ZINC000895785765 583727074 /nfs/dbraw/zinc/72/70/74/583727074.db2.gz SNUIURKEHQCDJQ-NSHDSACASA-N 1 0 249.310 1.859 20 10 BDCDRO CC[N@H+](CCC(N)=O)Cc1cccc(C)c1O ZINC000896712542 583826610 /nfs/dbraw/zinc/82/66/10/583826610.db2.gz QXNJWFQOUUCUCK-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO Cc1cccc(C[NH2+]CC[C@@H](O)C2CC2)c1O ZINC000898202145 584089366 /nfs/dbraw/zinc/08/93/66/584089366.db2.gz DTNITSVJNZSPFA-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H]1C[C@H]1C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841040916 584116941 /nfs/dbraw/zinc/11/69/41/584116941.db2.gz COBYQWHBZIHSHT-OSAQELSMSA-N 1 0 247.386 1.998 20 10 BDCDRO Cn1cc(CC[N@H+](C)Cc2ccccc2O)nn1 ZINC000859188987 589016522 /nfs/dbraw/zinc/01/65/22/589016522.db2.gz IUGPCXRRLUFOHK-UHFFFAOYSA-N 1 0 246.314 1.195 20 10 BDCDRO COc1ccc(C[NH2+][C@H](CO)C2CC2)cc1C ZINC000734161248 584959309 /nfs/dbraw/zinc/95/93/09/584959309.db2.gz OIFQUQSOYIDLMV-CYBMUJFWSA-N 1 0 235.327 1.864 20 10 BDCDRO C[C@H]([NH2+][C@@H](CN)C1CC1)c1cc(F)ccc1O ZINC000817959297 584992330 /nfs/dbraw/zinc/99/23/30/584992330.db2.gz FJIHXJJFTGQVFB-UFBFGSQYSA-N 1 0 238.306 1.919 20 10 BDCDRO CCC[N@H+](CCO)Cc1c(O)cccc1OC ZINC000768174176 585533364 /nfs/dbraw/zinc/53/33/64/585533364.db2.gz ICQHHBYBHJMREC-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO OCC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000770511029 585575427 /nfs/dbraw/zinc/57/54/27/585575427.db2.gz VXWAHOVNIZPNBU-GFCCVEGCSA-N 1 0 235.327 1.987 20 10 BDCDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2O)CCN1C ZINC000775985865 585688146 /nfs/dbraw/zinc/68/81/46/585688146.db2.gz PGZKXTOGCMQLMF-VXGBXAGGSA-N 1 0 234.343 1.917 20 10 BDCDRO Oc1cc2c(cc1C[N@H+]1CC=CCC1)[C@@H](O)CO2 ZINC000778577629 585737660 /nfs/dbraw/zinc/73/76/60/585737660.db2.gz SZGULQGNLDKSOB-ZDUSSCGKSA-N 1 0 247.294 1.580 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1O ZINC000783744654 585841860 /nfs/dbraw/zinc/84/18/60/585841860.db2.gz SXYJTZBFYABHGH-OCCSQVGLSA-N 1 0 233.311 1.515 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000788266743 585920064 /nfs/dbraw/zinc/92/00/64/585920064.db2.gz BIEMVSZAHQVWEI-PWSUYJOCSA-N 1 0 221.300 1.656 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCCOC1 ZINC000808447991 586472722 /nfs/dbraw/zinc/47/27/22/586472722.db2.gz ZUILGYHKIBHJDC-SNVBAGLBSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cncnc2)c1O ZINC000809740089 586516135 /nfs/dbraw/zinc/51/61/35/586516135.db2.gz KYVKQRYFUXASSE-UHFFFAOYSA-N 1 0 245.282 1.481 20 10 BDCDRO C[C@@H]1[C@@H](C)C[N@@H+]1Cc1cc2c(cc1O)OCO2 ZINC000816647977 586749859 /nfs/dbraw/zinc/74/98/59/586749859.db2.gz BNZVJOYIFQIKHK-DTWKUNHWSA-N 1 0 235.283 1.961 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]CCN)c(O)c1C ZINC000817935490 586841952 /nfs/dbraw/zinc/84/19/52/586841952.db2.gz WVBUEESJLPXQCA-SNVBAGLBSA-N 1 0 208.305 1.618 20 10 BDCDRO CC[C@@H]([NH2+]CCN)c1ccc(N(C)C)cc1 ZINC000817934248 586843332 /nfs/dbraw/zinc/84/33/32/586843332.db2.gz DWIHTKAOLIIZTG-CYBMUJFWSA-N 1 0 221.348 1.752 20 10 BDCDRO Cc1ccc([C@H](C)NC2C[NH2+]C2)c(O)c1 ZINC000817956025 586846935 /nfs/dbraw/zinc/84/69/35/586846935.db2.gz NXMPIXVXOFYDTE-VIFPVBQESA-N 1 0 206.289 1.323 20 10 BDCDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817951225 586847759 /nfs/dbraw/zinc/84/77/59/586847759.db2.gz BXLWVNNXVCZYHA-KOLCDFICSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1cnn(C)c1 ZINC000817955789 586849659 /nfs/dbraw/zinc/84/96/59/586849659.db2.gz HTLPIPUEQIHXPE-NSHDSACASA-N 1 0 244.342 1.896 20 10 BDCDRO C[C@@H]1CN(C)C[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955709 586849747 /nfs/dbraw/zinc/84/97/47/586849747.db2.gz FVJZTQWWVDJCDW-BXUZGUMPSA-N 1 0 233.359 1.351 20 10 BDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@@H]1CCCO1 ZINC000817957878 586850826 /nfs/dbraw/zinc/85/08/26/586850826.db2.gz QIRNHEGRXCKETH-RISCZKNCSA-N 1 0 234.343 1.968 20 10 BDCDRO C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817964711 586854196 /nfs/dbraw/zinc/85/41/96/586854196.db2.gz FNZMDIPFLNRYLO-QMMMGPOBSA-N 1 0 224.279 1.401 20 10 BDCDRO C[C@@H]1CCNC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817969219 586856772 /nfs/dbraw/zinc/85/67/72/586856772.db2.gz SDFDXCQHKTUGKH-WXHSDQCUSA-N 1 0 246.354 1.967 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c1O ZINC000824893446 587292101 /nfs/dbraw/zinc/29/21/01/587292101.db2.gz SBZRROFEGWBXNF-OCCSQVGLSA-N 1 0 246.354 1.837 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC3(COC3)C2)c1 ZINC000827643019 587393838 /nfs/dbraw/zinc/39/38/38/587393838.db2.gz DQNFIVFZTWNYSR-UHFFFAOYSA-N 1 0 233.311 1.923 20 10 BDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244147 587652070 /nfs/dbraw/zinc/65/20/70/587652070.db2.gz LWHABRWHCIXCKS-LDYMZIIASA-N 1 0 219.288 1.205 20 10 BDCDRO Nc1ccc(CCNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000832659305 587675326 /nfs/dbraw/zinc/67/53/26/587675326.db2.gz ZJDWNCSSGRUWTG-ZDUSSCGKSA-N 1 0 247.342 1.055 20 10 BDCDRO C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC000832736872 587681584 /nfs/dbraw/zinc/68/15/84/587681584.db2.gz FIQGNKIABHFZIO-ZWNOBZJWSA-N 1 0 247.342 1.007 20 10 BDCDRO C[C@@H]([NH2+]C[C@]1(C)CCC(=O)N1)c1ccccc1O ZINC000834907737 587770225 /nfs/dbraw/zinc/77/02/25/587770225.db2.gz AZZKJIDDABMXSU-YGRLFVJLSA-N 1 0 248.326 1.712 20 10 BDCDRO Cc1cc(O)c(CNC[C@@H]2CCC[NH2+]2)cc1C ZINC000841036047 587937804 /nfs/dbraw/zinc/93/78/04/587937804.db2.gz NPIAWVOWYOORFM-ZDUSSCGKSA-N 1 0 234.343 1.851 20 10 BDCDRO Cc1cccc(CNC[C@H]2CCC[NH2+]2)c1O ZINC000841036102 587937824 /nfs/dbraw/zinc/93/78/24/587937824.db2.gz NZGAVCHMKUVJAW-GFCCVEGCSA-N 1 0 220.316 1.542 20 10 BDCDRO CC[NH2+]CCNCc1ccc(OCC)cc1O ZINC000841037696 587937867 /nfs/dbraw/zinc/93/78/67/587937867.db2.gz SJQHFXWGNAHRRO-UHFFFAOYSA-N 1 0 238.331 1.490 20 10 BDCDRO CC(C)C[NH2+]C[C@H](N)c1ccc(N(C)C)cc1 ZINC000841046302 587939216 /nfs/dbraw/zinc/93/92/16/587939216.db2.gz ZOIANTYLNDPVTR-AWEZNQCLSA-N 1 0 235.375 1.998 20 10 BDCDRO CN(C)c1ccc(CNCC2([NH3+])CCC2)cc1 ZINC000841050507 587939768 /nfs/dbraw/zinc/93/97/68/587939768.db2.gz HIBCDXFBENLUEC-UHFFFAOYSA-N 1 0 233.359 1.724 20 10 BDCDRO COc1cccc(O)c1CNC[C@H]([NH3+])C1CC1 ZINC000841051185 587940140 /nfs/dbraw/zinc/94/01/40/587940140.db2.gz VBDIBZMMQBKUPM-NSHDSACASA-N 1 0 236.315 1.228 20 10 BDCDRO CN(C)c1ccc(CNCC(F)(F)CN)cc1 ZINC000841059433 587940451 /nfs/dbraw/zinc/94/04/51/587940451.db2.gz DANQUXPVDXRMON-UHFFFAOYSA-N 1 0 243.301 1.436 20 10 BDCDRO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841058203 587940702 /nfs/dbraw/zinc/94/07/02/587940702.db2.gz QKQSOEKQXVBMKY-VXGBXAGGSA-N 1 0 238.306 1.891 20 10 BDCDRO COc1cccc(CNCC(F)(F)CN)c1O ZINC000841059309 587940758 /nfs/dbraw/zinc/94/07/58/587940758.db2.gz APQYDDQPIULBIQ-UHFFFAOYSA-N 1 0 246.257 1.084 20 10 BDCDRO C[C@@H](C[NH3+])NCc1c(O)cccc1Cl ZINC000841062721 587941859 /nfs/dbraw/zinc/94/18/59/587941859.db2.gz BNMJYAIMILLHNQ-ZETCQYMHSA-N 1 0 214.696 1.482 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000841078629 587945158 /nfs/dbraw/zinc/94/51/58/587945158.db2.gz GMWHQKDSQOZCLY-ZJUUUORDSA-N 1 0 220.316 1.447 20 10 BDCDRO [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000841084534 587945526 /nfs/dbraw/zinc/94/55/26/587945526.db2.gz KHGCNHVDCVFCOF-ONGXEEELSA-N 1 0 238.306 1.748 20 10 BDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000842752745 588059562 /nfs/dbraw/zinc/05/95/62/588059562.db2.gz UBRLGSMQOKPAMB-DGCLKSJQSA-N 1 0 237.299 1.204 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000842773587 588062359 /nfs/dbraw/zinc/06/23/59/588062359.db2.gz BLKJKFCFVAMJDV-NXEZZACHSA-N 1 0 237.299 1.668 20 10 BDCDRO CN(C)c1ccc(/C=C\CN2CC[C@@H]([NH3+])C2)cc1 ZINC000843045523 588075650 /nfs/dbraw/zinc/07/56/50/588075650.db2.gz UKACUYQNMRELBJ-VQTKUKTRSA-N 1 0 245.370 1.799 20 10 BDCDRO Cc1cccc(CN2CC[NH2+]C[C@@H]2C)c1O ZINC000843047822 588075793 /nfs/dbraw/zinc/07/57/93/588075793.db2.gz XEVWUVNRSUHHCQ-NSHDSACASA-N 1 0 220.316 1.494 20 10 BDCDRO [NH3+]CC1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843047072 588075902 /nfs/dbraw/zinc/07/59/02/588075902.db2.gz FLNJJBHDSBWLKR-UHFFFAOYSA-N 1 0 238.306 1.702 20 10 BDCDRO [NH3+]C[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843048363 588076291 /nfs/dbraw/zinc/07/62/91/588076291.db2.gz MCUKPSGZWIGNTN-SECBINFHSA-N 1 0 224.279 1.312 20 10 BDCDRO C[C@H]1[NH2+]CCN(Cc2cccc(F)c2O)[C@@H]1C ZINC000843057226 588078194 /nfs/dbraw/zinc/07/81/94/588078194.db2.gz GXSVQLWCTJRGIF-NXEZZACHSA-N 1 0 238.306 1.714 20 10 BDCDRO CN(C[C@]1(C)CC[NH2+]C1)c1ccc2c(c1)OCO2 ZINC000843069588 588078925 /nfs/dbraw/zinc/07/89/25/588078925.db2.gz RWHZDAWEHDDWGC-CQSZACIVSA-N 1 0 248.326 1.851 20 10 BDCDRO Oc1ccccc1CN1CC[NH2+]C[C@H]1C(F)F ZINC000843124698 588083193 /nfs/dbraw/zinc/08/31/93/588083193.db2.gz KDBNEKTUVMWCGL-JTQLQIEISA-N 1 0 242.269 1.431 20 10 BDCDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(N)cc1 ZINC000843292232 588097815 /nfs/dbraw/zinc/09/78/15/588097815.db2.gz KFFYCJXWMROLNO-UHFFFAOYSA-N 1 0 235.331 1.972 20 10 BDCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cccc(C)c1O ZINC000843428155 588108497 /nfs/dbraw/zinc/10/84/97/588108497.db2.gz PKIGNLWPLWGNRP-VXGBXAGGSA-N 1 0 237.299 1.204 20 10 BDCDRO C[C@H](CCO)[N@H+](C)Cc1cc(F)ccc1O ZINC000846111579 588257338 /nfs/dbraw/zinc/25/73/38/588257338.db2.gz QVZWXEBWHZCBNT-SECBINFHSA-N 1 0 227.279 1.734 20 10 BDCDRO [NH2+]=C(NCc1cc(Cl)ccc1O)N1CCC1 ZINC000849049228 588451409 /nfs/dbraw/zinc/45/14/09/588451409.db2.gz OSFBOSQGCWDDPQ-UHFFFAOYSA-N 1 0 239.706 1.776 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000850387954 588543263 /nfs/dbraw/zinc/54/32/63/588543263.db2.gz DOZKJYXMXWRGNY-STQMWFEESA-N 1 0 233.311 1.785 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1F ZINC000850417627 588544852 /nfs/dbraw/zinc/54/48/52/588544852.db2.gz GIDDLBATGHDPAM-XYPYZODXSA-N 1 0 238.306 1.505 20 10 BDCDRO O[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000850417891 588544994 /nfs/dbraw/zinc/54/49/94/588544994.db2.gz QDZOIYIRDNUZTM-HAQNSBGRSA-N 1 0 219.284 1.234 20 10 BDCDRO CON(C)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000850478990 588550582 /nfs/dbraw/zinc/55/05/82/588550582.db2.gz JNMRUSWEKBEJLF-SECBINFHSA-N 1 0 242.294 1.675 20 10 BDCDRO CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccccc1O ZINC000852882875 588711123 /nfs/dbraw/zinc/71/11/23/588711123.db2.gz BUEILKBWAAZYQQ-LBPRGKRZSA-N 1 0 248.326 1.397 20 10 BDCDRO CN(CC1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000863556114 589298749 /nfs/dbraw/zinc/29/87/49/589298749.db2.gz MHGBALNPDLHFLQ-UHFFFAOYSA-N 1 0 219.332 1.705 20 10 BDCDRO CN(C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(N)cc1 ZINC000863558630 589299102 /nfs/dbraw/zinc/29/91/02/589299102.db2.gz QBSKXYYUNLOAEU-CYBMUJFWSA-N 1 0 247.342 1.226 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1ccc(N(C)C)c(F)c1 ZINC000863653555 589308281 /nfs/dbraw/zinc/30/82/81/589308281.db2.gz NDDMIJJOBOUQCC-JTQLQIEISA-N 1 0 239.338 1.671 20 10 BDCDRO C[N@H+](Cc1cncnc1)Cc1ccccc1O ZINC000120027578 589357807 /nfs/dbraw/zinc/35/78/07/589357807.db2.gz JTMMOTWMYRLLIM-UHFFFAOYSA-N 1 0 229.283 1.814 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000865691541 589456276 /nfs/dbraw/zinc/45/62/76/589456276.db2.gz BPDYSAVFDPYIFS-JQPXUNLUSA-N 1 0 245.322 1.905 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCC[C@@H]1O)CC2 ZINC000866489066 589496737 /nfs/dbraw/zinc/49/67/37/589496737.db2.gz CGOGVPDACVZEKX-SRVKXCTJSA-N 1 0 233.311 1.883 20 10 BDCDRO C[NH2+]CCC(=O)N[C@H](C)c1ccccc1O ZINC000870988460 589706927 /nfs/dbraw/zinc/70/69/27/589706927.db2.gz PWIFMXMFINUPJU-SECBINFHSA-N 1 0 222.288 1.179 20 10 BDCDRO C[C@H](NC(=O)C[NH2+]CC1CC1)c1ccccc1O ZINC000870988259 589706935 /nfs/dbraw/zinc/70/69/35/589706935.db2.gz LALLYPXRRAODRE-JTQLQIEISA-N 1 0 248.326 1.569 20 10 BDCDRO CCOc1cccc(C[NH2+]CCOC)c1O ZINC000019881388 590030476 /nfs/dbraw/zinc/03/04/76/590030476.db2.gz WPCPVEWNKRKHFY-UHFFFAOYSA-N 1 0 225.288 1.527 20 10 BDCDRO C[C@H](C(=O)NCc1ccc(N(C)C)cc1)[NH+](C)C ZINC000873829338 590073744 /nfs/dbraw/zinc/07/37/44/590073744.db2.gz OYSVVALYYSGUKS-LLVKDONJSA-N 1 0 249.358 1.319 20 10 BDCDRO CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000876504065 590203915 /nfs/dbraw/zinc/20/39/15/590203915.db2.gz ITHRCOVQVQZMKI-GFCCVEGCSA-N 1 0 235.331 1.971 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](CO)C2)c(O)c1 ZINC000876509728 590204890 /nfs/dbraw/zinc/20/48/90/590204890.db2.gz HBHPYACLTUKSBM-GFCCVEGCSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000876511359 590205279 /nfs/dbraw/zinc/20/52/79/590205279.db2.gz GJFVXAIJRKAFJK-LLVKDONJSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](CO)C1 ZINC000876510396 590205393 /nfs/dbraw/zinc/20/53/93/590205393.db2.gz UXCBGUKERKCISX-LBPRGKRZSA-N 1 0 235.327 1.905 20 10 BDCDRO CCN1CC[NH+](Cc2c(C)cccc2O)CC1 ZINC000876524686 590208661 /nfs/dbraw/zinc/20/86/61/590208661.db2.gz VPNUKLOIZVWFRH-UHFFFAOYSA-N 1 0 234.343 1.838 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](C)C1 ZINC000876556871 590215924 /nfs/dbraw/zinc/21/59/24/590215924.db2.gz WTLOSSJULYWVPF-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCCOCC1 ZINC000876618542 590222222 /nfs/dbraw/zinc/22/22/22/590222222.db2.gz YMMYWXOVVXCAKY-UHFFFAOYSA-N 1 0 221.300 1.923 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCNC(=O)CC1 ZINC000876691197 590230978 /nfs/dbraw/zinc/23/09/78/590230978.db2.gz DPZZPHWFRGYFJI-UHFFFAOYSA-N 1 0 234.299 1.023 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)CC[C@@H](C)O ZINC000876745423 590235754 /nfs/dbraw/zinc/23/57/54/590235754.db2.gz HJSJSPZZEVFYLF-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1ccc(C[N@@H+](C)CC[C@@H](C)O)c(O)c1 ZINC000876744762 590235961 /nfs/dbraw/zinc/23/59/61/590235961.db2.gz AQSVVNQBQSCULK-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@](C)(O)C2)c(O)c1 ZINC000876791021 590241255 /nfs/dbraw/zinc/24/12/55/590241255.db2.gz HSMIQHLVJZYACM-ZDUSSCGKSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCN2C)c(O)c1 ZINC000876985974 590265115 /nfs/dbraw/zinc/26/51/15/590265115.db2.gz YQBWDULKGWELKX-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CCCNC2=O)c(O)c1 ZINC000876991356 590266081 /nfs/dbraw/zinc/26/60/81/590266081.db2.gz MBITZYNRWJIWDR-NSHDSACASA-N 1 0 234.299 1.069 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1(C)COC1 ZINC000877029566 590271683 /nfs/dbraw/zinc/27/16/83/590271683.db2.gz HEATUNANTAZKNR-UHFFFAOYSA-N 1 0 221.300 1.827 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H](O)C(C)C)c(O)c1 ZINC000877037622 590273038 /nfs/dbraw/zinc/27/30/38/590273038.db2.gz SZGFBRNBDBUHOM-CYBMUJFWSA-N 1 0 223.316 1.807 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1(O)CCC1 ZINC000877040381 590273475 /nfs/dbraw/zinc/27/34/75/590273475.db2.gz VVUMXAQCSGOSLI-UHFFFAOYSA-N 1 0 221.300 1.705 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077504 590278857 /nfs/dbraw/zinc/27/88/57/590278857.db2.gz KXFKDULTSBYITR-JOYOIKCWSA-N 1 0 233.315 1.230 20 10 BDCDRO Cc1ccc(C[NH2+]CC2(CO)CC2)c(O)c1 ZINC000877078546 590279058 /nfs/dbraw/zinc/27/90/58/590279058.db2.gz UGBNBYLNKQJUJK-UHFFFAOYSA-N 1 0 221.300 1.563 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](CO)CC2CC2)c(O)c1 ZINC000877117536 590288195 /nfs/dbraw/zinc/28/81/95/590288195.db2.gz GRRUUMDXVJZOOT-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000877184002 590298399 /nfs/dbraw/zinc/29/83/99/590298399.db2.gz JYSGMWKGCRDJID-NWDGAFQWSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000877195271 590299501 /nfs/dbraw/zinc/29/95/01/590299501.db2.gz FWVZDSPZDRFHBD-WDEREUQCSA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1O ZINC000877255860 590304196 /nfs/dbraw/zinc/30/41/96/590304196.db2.gz IQADWPAXNVLLBC-ZYHUDNBSSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@H](NC(=O)[C@H]1CCCC[NH2+]1)c1ccccc1O ZINC000877255857 590304310 /nfs/dbraw/zinc/30/43/10/590304310.db2.gz IQADWPAXNVLLBC-CMPLNLGQSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1O ZINC000877258206 590304442 /nfs/dbraw/zinc/30/44/42/590304442.db2.gz XBZGFSSKKGBOBG-GXSJLCMTSA-N 1 0 246.310 1.617 20 10 BDCDRO COC(=O)C1(C[NH2+]Cc2c(C)cccc2O)CC1 ZINC000877425126 590325175 /nfs/dbraw/zinc/32/51/75/590325175.db2.gz ZRYACHBNKJUFBH-UHFFFAOYSA-N 1 0 249.310 1.743 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000877503307 590343203 /nfs/dbraw/zinc/34/32/03/590343203.db2.gz ILBYFNFCOGHCJM-TXEJJXNPSA-N 1 0 249.310 1.300 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](C)C[C@H](O)C1CC1 ZINC000877527724 590349162 /nfs/dbraw/zinc/34/91/62/590349162.db2.gz OFYHAAKNGPOFOY-AWEZNQCLSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1CN1CCn2cncc2C1 ZINC000877538751 590350622 /nfs/dbraw/zinc/35/06/22/590350622.db2.gz DDUWEIRFVXCKGZ-UHFFFAOYSA-N 1 0 243.310 1.913 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H]3CN(C)C[C@H]32)c(O)c1 ZINC000877547293 590352795 /nfs/dbraw/zinc/35/27/95/590352795.db2.gz SIWYJZDPLAGJLY-TZMCWYRMSA-N 1 0 246.354 1.837 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)C1CCC1 ZINC000877574921 590363183 /nfs/dbraw/zinc/36/31/83/590363183.db2.gz ZMKGKVRGRQRHDM-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(C)(CO)C1 ZINC000877581742 590365643 /nfs/dbraw/zinc/36/56/43/590365643.db2.gz QHAMIBGTWOMVNG-UHFFFAOYSA-N 1 0 221.300 1.515 20 10 BDCDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(F)c(F)c1[O-] ZINC000877614965 590374234 /nfs/dbraw/zinc/37/42/34/590374234.db2.gz KURHVEYOEZASST-QMMMGPOBSA-N 1 0 245.269 1.873 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCCN(C=O)CC1 ZINC000877642413 590382672 /nfs/dbraw/zinc/38/26/72/590382672.db2.gz KQKFYVAVLYZADD-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCc3n[nH]cc3C2)c(O)c1 ZINC000877648342 590383676 /nfs/dbraw/zinc/38/36/76/590383676.db2.gz DVRZGIIFKWJZRB-UHFFFAOYSA-N 1 0 243.310 1.982 20 10 BDCDRO C[C@H]([NH2+]CCc1cn(C)nn1)c1ccccc1O ZINC000879650162 590841577 /nfs/dbraw/zinc/84/15/77/590841577.db2.gz MPDDTRVKFNHHIE-JTQLQIEISA-N 1 0 246.314 1.414 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccccc1O ZINC000879650908 590843948 /nfs/dbraw/zinc/84/39/48/590843948.db2.gz WIOLWSFETJTVBO-VHSXEESVSA-N 1 0 235.283 1.748 20 10 BDCDRO C[C@@H](CC[NH2+]Cc1ccccc1O)[S@](C)=O ZINC000132555750 591718358 /nfs/dbraw/zinc/71/83/58/591718358.db2.gz YOROUQMTHCOGTQ-MGPLVRAMSA-N 1 0 241.356 1.639 20 10 BDCDRO C[NH2+]C[C@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC000133047993 591760469 /nfs/dbraw/zinc/76/04/69/591760469.db2.gz BTJJWVSIDQKNJO-OAHLLOKOSA-N 1 0 247.386 1.936 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC2(O)CCC2)cc1 ZINC000134516743 591932785 /nfs/dbraw/zinc/93/27/85/591932785.db2.gz OYPAKPYVJRXMRL-UHFFFAOYSA-N 1 0 234.343 1.757 20 10 BDCDRO C[C@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)[NH2+]1 ZINC000220137372 592282927 /nfs/dbraw/zinc/28/29/27/592282927.db2.gz LEZPBNOSARMKRZ-UWVGGRQHSA-N 1 0 238.306 1.714 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CNOC1)c1cc(Cl)ccc1O ZINC000925862324 635559788 /nfs/dbraw/zinc/55/97/88/635559788.db2.gz OHVAIEVVLWOQAY-IONNQARKSA-N 1 0 242.706 1.600 20 10 BDCDRO Cc1ccc(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000309170837 631923962 /nfs/dbraw/zinc/92/39/62/631923962.db2.gz AJKIDMNFTRWXLI-ZYHUDNBSSA-N 1 0 220.316 1.622 20 10 BDCDRO [NH3+]C1CCC([NH2+]Cc2cccc(F)c2[O-])CC1 ZINC000158753237 632485675 /nfs/dbraw/zinc/48/56/75/632485675.db2.gz VAVVQLRUMSOWQQ-UHFFFAOYSA-N 1 0 238.306 1.891 20 10 BDCDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccccc1O ZINC000179558859 632744829 /nfs/dbraw/zinc/74/48/29/632744829.db2.gz ZVZBHXFMJJFVTC-CMPLNLGQSA-N 1 0 248.326 1.478 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccccc1O ZINC000163988512 633067657 /nfs/dbraw/zinc/06/76/57/633067657.db2.gz JRLIEGIHMNPHAY-DTWKUNHWSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@]1(C(=O)NCc2ccccc2O)CCC[NH2+]1 ZINC000166203005 633108781 /nfs/dbraw/zinc/10/87/81/633108781.db2.gz NJUXDHXVOJABJV-CYBMUJFWSA-N 1 0 234.299 1.151 20 10 BDCDRO CCCN1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000328527889 633770351 /nfs/dbraw/zinc/77/03/51/633770351.db2.gz VNHPPVJJUIVGEQ-ZDUSSCGKSA-N 1 0 234.343 1.966 20 10 BDCDRO c1cc(N2CCOCC2)ccc1C[NH2+]C1CC1 ZINC000020082965 633808435 /nfs/dbraw/zinc/80/84/35/633808435.db2.gz DLHRGKSLKXIPRQ-UHFFFAOYSA-N 1 0 232.327 1.775 20 10 BDCDRO CSC[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000309911883 633933703 /nfs/dbraw/zinc/93/37/03/633933703.db2.gz NDGZLHOAFJPIJB-VHSXEESVSA-N 1 0 241.356 1.767 20 10 BDCDRO CCC1(C[NH2+]Cc2ccccc2O)COC1 ZINC000310020255 634078419 /nfs/dbraw/zinc/07/84/19/634078419.db2.gz MWYQPTOSUIPUQS-UHFFFAOYSA-N 1 0 221.300 1.908 20 10 BDCDRO CC(C)[C@@H](CO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000259007383 635233540 /nfs/dbraw/zinc/23/35/40/635233540.db2.gz OHSALQUDCMTRSX-CQSZACIVSA-N 1 0 249.354 1.976 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CNOC2)c1 ZINC000925868611 635575683 /nfs/dbraw/zinc/57/56/83/635575683.db2.gz FERXRQJSJVBEGO-ZJUUUORDSA-N 1 0 222.288 1.255 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000042170060 637078504 /nfs/dbraw/zinc/07/85/04/637078504.db2.gz MALLYQMNNUCPJT-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1)c1ccccc1O ZINC000042544119 637281010 /nfs/dbraw/zinc/28/10/10/637281010.db2.gz APWITNXQFKBVDN-GHMZBOCLSA-N 1 0 220.316 1.747 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2ccccc2O)C1 ZINC000150072458 639301243 /nfs/dbraw/zinc/30/12/43/639301243.db2.gz IDSHHPOBDOBUNO-LLVKDONJSA-N 1 0 206.289 1.186 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000911660962 639692753 /nfs/dbraw/zinc/69/27/53/639692753.db2.gz PXDCDRIVLIOPGI-GRYCIOLGSA-N 1 0 231.299 1.063 20 10 BDCDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000911660889 639692808 /nfs/dbraw/zinc/69/28/08/639692808.db2.gz NWISYQBOKOCACX-JOYOIKCWSA-N 1 0 235.331 1.971 20 10 BDCDRO C[C@H]([NH2+]CC[N+](=O)[O-])c1ccccc1O ZINC000931554446 640273098 /nfs/dbraw/zinc/27/30/98/640273098.db2.gz PVONLZNBGQUDHS-QMMMGPOBSA-N 1 0 210.233 1.320 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cnccn2)cc1 ZINC000054765669 640409595 /nfs/dbraw/zinc/40/95/95/640409595.db2.gz LGYYQLLCHMULLQ-UHFFFAOYSA-N 1 0 242.326 1.832 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1cc(OC)ccc1O ZINC000164723300 640504012 /nfs/dbraw/zinc/50/40/12/640504012.db2.gz NGVHWCXBPSNJRQ-NSHDSACASA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H](O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228074560 640858946 /nfs/dbraw/zinc/85/89/46/640858946.db2.gz OSKJWSZOUHNROG-QWRGUYRKSA-N 1 0 235.327 1.871 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1O ZINC000228421987 640873507 /nfs/dbraw/zinc/87/35/07/640873507.db2.gz SNSDKJUIOKJBOE-GXSJLCMTSA-N 1 0 234.299 1.006 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@@H]1CCOC1 ZINC000230162478 641033238 /nfs/dbraw/zinc/03/32/38/641033238.db2.gz DAHAPXXJMSHNIM-LLVKDONJSA-N 1 0 221.300 1.908 20 10 BDCDRO COCC[NH2+]Cc1ccc(N(C)C)cc1C ZINC000062734875 641085238 /nfs/dbraw/zinc/08/52/38/641085238.db2.gz RQJRLJXLMCJFGW-UHFFFAOYSA-N 1 0 222.332 1.797 20 10 BDCDRO COCCCN1CCCc2cc(C[NH3+])ccc21 ZINC000062801550 641090528 /nfs/dbraw/zinc/09/05/28/641090528.db2.gz QVUZEKJVJFYQMS-UHFFFAOYSA-N 1 0 234.343 1.934 20 10 BDCDRO Nc1ccc(CCNC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000152572120 641615013 /nfs/dbraw/zinc/61/50/13/641615013.db2.gz MTKVOLPUOSCSLA-ZDUSSCGKSA-N 1 0 247.342 1.070 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1ccccc1O ZINC000077453140 641857417 /nfs/dbraw/zinc/85/74/17/641857417.db2.gz BKRSPJAPGICHIO-LLVKDONJSA-N 1 0 209.289 1.643 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC3(C2)OCCO3)c1O ZINC000180028594 642763665 /nfs/dbraw/zinc/76/36/65/642763665.db2.gz DZODGUCXVKVSIH-UHFFFAOYSA-N 1 0 249.310 1.649 20 10 BDCDRO COCC[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000035628472 643253490 /nfs/dbraw/zinc/25/34/90/643253490.db2.gz SSQCQWOLLATKQJ-JTQLQIEISA-N 1 0 209.289 1.998 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCC(C)(C)[NH3+])cc1 ZINC000306088149 643294567 /nfs/dbraw/zinc/29/45/67/643294567.db2.gz IARCAQKPAHZAHR-UHFFFAOYSA-N 1 0 235.375 1.970 20 10 BDCDRO C[NH2+][C@@H](CC(C)C)C(=O)N(C)c1ccc(N)cc1 ZINC000884441273 643473142 /nfs/dbraw/zinc/47/31/42/643473142.db2.gz DLEJSCLGPFLTFH-ZDUSSCGKSA-N 1 0 249.358 1.866 20 10 BDCDRO CN(CCC[NH+](C)C)Cc1cc(F)ccc1O ZINC000234231703 643614803 /nfs/dbraw/zinc/61/48/03/643614803.db2.gz REKTZSBLRXGDSL-UHFFFAOYSA-N 1 0 240.322 1.915 20 10 BDCDRO COc1ccc(N(C)C[C@@H](C)[NH3+])c(OC)c1 ZINC000074012011 644159056 /nfs/dbraw/zinc/15/90/56/644159056.db2.gz NDLIIIHXAXVGKR-SECBINFHSA-N 1 0 224.304 1.487 20 10 BDCDRO CC1(NC(=O)Cc2ccc(N)cc2)CC[NH2+]CC1 ZINC000193369558 644235715 /nfs/dbraw/zinc/23/57/15/644235715.db2.gz KXCVKDMFWIIPMQ-UHFFFAOYSA-N 1 0 247.342 1.070 20 10 BDCDRO Cc1cc(CN(C)C[C@@H](C)[NH3+])ccc1N(C)C ZINC000923409342 644411854 /nfs/dbraw/zinc/41/18/54/644411854.db2.gz PDAREGAXOFKARK-GFCCVEGCSA-N 1 0 235.375 1.840 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1 ZINC000249786306 644741312 /nfs/dbraw/zinc/74/13/12/644741312.db2.gz DMQRZQCTPULYJG-AAEUAGOBSA-N 1 0 235.327 1.903 20 10 BDCDRO OC[C@@H](CCF)[NH2+]Cc1ccccc1O ZINC000846098166 645405007 /nfs/dbraw/zinc/40/50/07/645405007.db2.gz ZZVQXVAMNANIMR-SNVBAGLBSA-N 1 0 213.252 1.202 20 10 BDCDRO OC[C@H]1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000927149185 645572408 /nfs/dbraw/zinc/57/24/08/645572408.db2.gz XBPKFBOQYPTHQL-YUSALJHKSA-N 1 0 233.311 1.740 20 10 BDCDRO C[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000925783626 646479321 /nfs/dbraw/zinc/47/93/21/646479321.db2.gz KKGWIGRNWGVECJ-KBVBSXBZSA-N 1 0 238.306 1.790 20 10 BDCDRO C[NH+](C)CCC[NH2+]Cc1ccc(F)c(F)c1[O-] ZINC000703362907 712073927 /nfs/dbraw/zinc/07/39/27/712073927.db2.gz CUZKEYKFNXMFJA-UHFFFAOYSA-N 1 0 244.285 1.712 20 10 BDCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000706498622 712147300 /nfs/dbraw/zinc/14/73/00/712147300.db2.gz JTLMXRHDDTWNHC-XYPYZODXSA-N 1 0 225.263 1.798 20 10 BDCDRO C[C@H]([NH3+])CCC(=O)Nc1ccc(N)cc1 ZINC000390508877 712419767 /nfs/dbraw/zinc/41/97/67/712419767.db2.gz YMCQRIPLDRHWGP-QMMMGPOBSA-N 1 0 207.277 1.335 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCN2C)cc1 ZINC000712581283 712433625 /nfs/dbraw/zinc/43/36/25/712433625.db2.gz LXICOOFIFSKAMO-AWEZNQCLSA-N 1 0 233.359 1.546 20 10 BDCDRO COC(C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000037473015 712644254 /nfs/dbraw/zinc/64/42/54/712644254.db2.gz RMUVODFMUWQKCZ-VIFPVBQESA-N 1 0 225.288 1.662 20 10 BDCDRO CC(C)(C[NH3+])C(=O)Nc1ccc(N)cc1 ZINC000381552996 710653529 /nfs/dbraw/zinc/65/35/29/710653529.db2.gz NIMKPRFWEFDOJL-UHFFFAOYSA-N 1 0 207.277 1.192 20 10 BDCDRO OC[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000381631387 710664571 /nfs/dbraw/zinc/66/45/71/710664571.db2.gz QRKKMFUSSAGLPW-LLVKDONJSA-N 1 0 241.718 1.906 20 10 BDCDRO C[C@@H](C[NH3+])N(C)Cc1cc(Cl)ccc1O ZINC000383024969 710976575 /nfs/dbraw/zinc/97/65/75/710976575.db2.gz XSLPJHVSAJEUML-QMMMGPOBSA-N 1 0 228.723 1.825 20 10 BDCDRO C[C@@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000386593134 711033767 /nfs/dbraw/zinc/03/37/67/711033767.db2.gz DXFUHTJGURBGIX-OAHLLOKOSA-N 1 0 247.338 1.872 20 10 BDCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](C)O ZINC000386815669 711036968 /nfs/dbraw/zinc/03/69/68/711036968.db2.gz FHTDDPKYKSSJSH-SKDRFNHKSA-N 1 0 239.315 1.650 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2conc2C)c1 ZINC000397907881 711397196 /nfs/dbraw/zinc/39/71/96/711397196.db2.gz XLLRHEIJIQAXMD-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)CC1([NH3+])CC1 ZINC000398101154 711400913 /nfs/dbraw/zinc/40/09/13/711400913.db2.gz XFCOJNFHZBWIRX-UHFFFAOYSA-N 1 0 234.299 1.232 20 10 BDCDRO CC(C)[C@](C)(CO)[NH2+]Cc1ccccc1O ZINC000381471748 710642741 /nfs/dbraw/zinc/64/27/41/710642741.db2.gz MUWADQTTZULQCA-ZDUSSCGKSA-N 1 0 223.316 1.889 20 10 BDCDRO COCC(COC)[NH2+]Cc1ccccc1O ZINC000385063952 711004275 /nfs/dbraw/zinc/00/42/75/711004275.db2.gz UZKWJBLZIBQIBP-UHFFFAOYSA-N 1 0 225.288 1.143 20 10 BDCDRO COC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000382583596 711469618 /nfs/dbraw/zinc/46/96/18/711469618.db2.gz ZBIZPCYYYCKFAN-GFCCVEGCSA-N 1 0 243.278 1.018 20 10 BDCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000382583597 711469631 /nfs/dbraw/zinc/46/96/31/711469631.db2.gz ZBIZPCYYYCKFAN-LBPRGKRZSA-N 1 0 243.278 1.018 20 10 BDCDRO CC(C)[C@@H](CO)C[NH2+]Cc1cc(F)ccc1O ZINC000394031186 711474555 /nfs/dbraw/zinc/47/45/55/711474555.db2.gz CJLZEMSTTVPYAS-LLVKDONJSA-N 1 0 241.306 1.885 20 10 BDCDRO OC1CC2(C[C@H]2[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000724925615 711629252 /nfs/dbraw/zinc/62/92/52/711629252.db2.gz LVWTULBGSREFON-HNFVBEJKSA-N 1 0 245.322 1.625 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2CC23CC(O)C3)c1O ZINC000724931373 711630415 /nfs/dbraw/zinc/63/04/15/711630415.db2.gz NKDSYGSRAJNMEP-KHJSKFAYSA-N 1 0 249.310 1.404 20 10 BDCDRO CC1([NH3+])CCN(Cc2cc(F)ccc2O)CC1 ZINC000707673767 712175999 /nfs/dbraw/zinc/17/59/99/712175999.db2.gz NJVRIUUNCXLFLX-UHFFFAOYSA-N 1 0 238.306 1.845 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCN(C)C2=O)c1 ZINC000707762964 712177565 /nfs/dbraw/zinc/17/75/65/712177565.db2.gz QAFOQWGLUKTWJB-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO CCN1CC[C@H]([NH2+][C@@H](C)c2ccccc2O)C1=O ZINC000708663939 712196498 /nfs/dbraw/zinc/19/64/98/712196498.db2.gz BBPZLOTTYKWTCE-JQWIXIFHSA-N 1 0 248.326 1.664 20 10 BDCDRO CC[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000379212072 712371672 /nfs/dbraw/zinc/37/16/72/712371672.db2.gz FJHDJWYREYHCFS-GXFFZTMASA-N 1 0 249.358 1.667 20 10 BDCDRO C[C@H]([NH2+]C1COCCOC1)c1ccccc1O ZINC000379848275 712616837 /nfs/dbraw/zinc/61/68/37/712616837.db2.gz JFWMBFKQEGRLHJ-JTQLQIEISA-N 1 0 237.299 1.458 20 10 BDCDRO OC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CCC1 ZINC000717615449 712662476 /nfs/dbraw/zinc/66/24/76/712662476.db2.gz TXXTVAASMXFUAZ-CQSZACIVSA-N 1 0 247.338 1.872 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[NH2+]C1CC1 ZINC000037823779 712764950 /nfs/dbraw/zinc/76/49/50/712764950.db2.gz RFXSRQHRGRHXBM-UHFFFAOYSA-N 1 0 234.299 1.103 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000038005588 712799101 /nfs/dbraw/zinc/79/91/01/712799101.db2.gz CHOLRLSZGFUGFM-UHFFFAOYSA-N 1 0 230.315 1.766 20 10 BDCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc(N(C)C)cc2)CCN1C ZINC000719566354 712810020 /nfs/dbraw/zinc/81/00/20/712810020.db2.gz XSEYYWZAIPWEMH-WFASDCNBSA-N 1 0 247.386 1.935 20 10 BDCDRO C[C@H]1CC[C@@H](CN)[N@@H+]1Cc1ccccc1O ZINC001205064154 967321450 /nfs/dbraw/zinc/32/14/50/967321450.db2.gz KDHBXARWDFCFOU-JQWIXIFHSA-N 1 0 220.316 1.704 20 10 BDCDRO C[C@H]1CC[C@H](CO)C[N@@H+]1Cc1ccccc1O ZINC000305748069 970787733 /nfs/dbraw/zinc/78/77/33/970787733.db2.gz UKYKTTQYKFSUHN-RYUDHWBXSA-N 1 0 235.327 1.985 20 10 BDCDRO C[C@@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccccc1O ZINC000305748070 970788074 /nfs/dbraw/zinc/78/80/74/970788074.db2.gz UKYKTTQYKFSUHN-VXGBXAGGSA-N 1 0 235.327 1.985 20 10 BDCDRO CC1(CO)CC[NH+](Cc2ccc(N)cc2)CC1 ZINC000402918735 970868890 /nfs/dbraw/zinc/86/88/90/970868890.db2.gz MIACYPXXZHCOHM-UHFFFAOYSA-N 1 0 234.343 1.863 20 10 BDCDRO Nc1ccc(O[C@H]2C[NH2+]CCC23CC3)cc1 ZINC001218399382 971777271 /nfs/dbraw/zinc/77/72/71/971777271.db2.gz NNKIZNICYWDMRK-LBPRGKRZSA-N 1 0 218.300 1.790 20 10 BDCDRO CC1(C)C[C@@H]([NH2+]Cc2ccc(O)cc2O)CO1 ZINC000396619951 957065147 /nfs/dbraw/zinc/06/51/47/957065147.db2.gz XALWRVNHILAAHS-SNVBAGLBSA-N 1 0 237.299 1.755 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc3c(c2)CCO3)C1 ZINC000075129420 957750973 /nfs/dbraw/zinc/75/09/73/957750973.db2.gz VHAHXLHGVNGNHW-JTQLQIEISA-N 1 0 204.273 1.159 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2C(N)=O)c1 ZINC000160358951 957857681 /nfs/dbraw/zinc/85/76/81/957857681.db2.gz JUXSJYXOVZOZJU-LLVKDONJSA-N 1 0 234.299 1.150 20 10 BDCDRO C[C@H]1CC[C@H](C[NH2+]Cc2ccc(N)cc2)O1 ZINC000398106444 958070662 /nfs/dbraw/zinc/07/06/62/958070662.db2.gz KNRPMKOZYSJMND-GXFFZTMASA-N 1 0 220.316 1.926 20 10 BDCDRO CO[C@H](C)CC[NH2+]Cc1ccccc1O ZINC000263818869 959575652 /nfs/dbraw/zinc/57/56/52/959575652.db2.gz PJGXNKHUMSFKBR-SNVBAGLBSA-N 1 0 209.289 1.907 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC(CO)C2)c1 ZINC001140621293 960467336 /nfs/dbraw/zinc/46/73/36/960467336.db2.gz UTIQUSGRONBHLY-UHFFFAOYSA-N 1 0 207.273 1.125 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC3(CN(C)C3)C2)c1O ZINC001140751333 960555060 /nfs/dbraw/zinc/55/50/60/960555060.db2.gz SHYVWBYCNGJGCY-UHFFFAOYSA-N 1 0 248.326 1.154 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H]2C)c(O)c1 ZINC001140947886 960740059 /nfs/dbraw/zinc/74/00/59/960740059.db2.gz JQKLMCDKVVFYSU-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[NH+]2CC(CO)C2)c(O)c1 ZINC001140950043 960745064 /nfs/dbraw/zinc/74/50/64/960745064.db2.gz RXCTUYFVAVFGRH-UHFFFAOYSA-N 1 0 207.273 1.125 20 10 BDCDRO Cc1ccc(C[NH+]2CC3(CN(C)C3)C2)c(O)c1 ZINC001140954827 960758671 /nfs/dbraw/zinc/75/86/71/960758671.db2.gz MNWUTPBIKHYOMC-UHFFFAOYSA-N 1 0 232.327 1.448 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC001141156040 960892329 /nfs/dbraw/zinc/89/23/29/960892329.db2.gz DKMLMHFEWLLXNH-DTORHVGOSA-N 1 0 205.257 1.550 20 10 BDCDRO C[N@@H+]1CC[C@H]2CN(Cc3cc(O)ccc3O)C[C@H]21 ZINC001141161166 960894405 /nfs/dbraw/zinc/89/44/05/960894405.db2.gz NMKCTPLHOGZNBJ-GXFFZTMASA-N 1 0 248.326 1.234 20 10 BDCDRO Oc1ccc(O)c(CN2CC[NH+]3CCC2CC3)c1 ZINC001141160938 960895920 /nfs/dbraw/zinc/89/59/20/960895920.db2.gz KCZLQEDNJCEYIX-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CCC3(CCO3)CC2)c1 ZINC001141160284 960897031 /nfs/dbraw/zinc/89/70/31/960897031.db2.gz VLEBLXYHDPGONK-UHFFFAOYSA-N 1 0 249.310 1.853 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c1 ZINC001141161814 960898773 /nfs/dbraw/zinc/89/87/73/960898773.db2.gz YXBQVBDFAXYOFT-QMTHXVAHSA-N 1 0 249.310 1.709 20 10 BDCDRO CN(CC[NH+](C)C)Cc1cc(F)c(F)cc1O ZINC001142502243 961453982 /nfs/dbraw/zinc/45/39/82/961453982.db2.gz KUCUMUXXVHPEIF-UHFFFAOYSA-N 1 0 244.285 1.664 20 10 BDCDRO O=C(C[NH2+][C@H]1C[C@H]2C[C@H]2C1)c1ccc(O)c(O)c1 ZINC001167909555 961813552 /nfs/dbraw/zinc/81/35/52/961813552.db2.gz OFIHBCVULAPUPH-URLYPYJESA-N 1 0 247.294 1.669 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2cc(F)c(F)cc2O)C1 ZINC001204783570 963547202 /nfs/dbraw/zinc/54/72/02/963547202.db2.gz UDBDRDWJIPQAJH-LBPRGKRZSA-N 1 0 242.269 1.594 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000383581200 963583981 /nfs/dbraw/zinc/58/39/81/963583981.db2.gz FLIXXCWEWWFSFX-WCBMZHEXSA-N 1 0 234.299 1.233 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(=O)NC ZINC000697847687 964564931 /nfs/dbraw/zinc/56/49/31/964564931.db2.gz BJKMAAUEQVJZQA-GFCCVEGCSA-N 1 0 248.326 1.236 20 10 BDCDRO CCc1cc(OC)ccc1N1CC[C@H]([NH3+])C1 ZINC001164280695 965822898 /nfs/dbraw/zinc/82/28/98/965822898.db2.gz DUJORZIMZCRJAY-NSHDSACASA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@@H]1CC[C@@H]([NH3+])CN1Cc1ccc(N)cc1 ZINC001235906322 966153004 /nfs/dbraw/zinc/15/30/04/966153004.db2.gz NWYDWBIKZWRUBY-ZWNOBZJWSA-N 1 0 219.332 1.580 20 10 BDCDRO CC1(C[NH3+])CN(Cc2cc(Cl)ccc2O)C1 ZINC001206712303 966265571 /nfs/dbraw/zinc/26/55/71/966265571.db2.gz ZSHSHJWJVSMZTM-UHFFFAOYSA-N 1 0 240.734 1.826 20 10 BDCDRO COc1cc(C)c(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236285523 966339794 /nfs/dbraw/zinc/33/97/94/966339794.db2.gz BGSZRWNFCFGJJA-MFKMUULPSA-N 1 0 248.326 1.113 20 10 BDCDRO CCc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236286760 966340293 /nfs/dbraw/zinc/34/02/93/966340293.db2.gz COZUAASMQMWWGJ-QWHCGFSZSA-N 1 0 232.327 1.358 20 10 BDCDRO CC(C)c1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236292586 966349651 /nfs/dbraw/zinc/34/96/51/966349651.db2.gz NJVLQBQFHALFJJ-ZIAGYGMSSA-N 1 0 246.354 1.919 20 10 BDCDRO Oc1ccccc1C[NH+]1CC(N2CC(F)C2)C1 ZINC001203547775 966678601 /nfs/dbraw/zinc/67/86/01/966678601.db2.gz XUAJZTGTGRQQDQ-UHFFFAOYSA-N 1 0 236.290 1.230 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](F)[C@@H](O)CC1 ZINC001203550491 966680899 /nfs/dbraw/zinc/68/08/99/966680899.db2.gz VZVIWORKPTVCBF-YPMHNXCESA-N 1 0 239.290 1.687 20 10 BDCDRO C[C@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1CO ZINC001203549899 966682970 /nfs/dbraw/zinc/68/29/70/966682970.db2.gz BWQMQDVNVRMICU-AAEUAGOBSA-N 1 0 235.327 1.985 20 10 BDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203561385 966688013 /nfs/dbraw/zinc/68/80/13/966688013.db2.gz UDHQNHOXBDYAMH-LLVKDONJSA-N 1 0 219.284 1.803 20 10 BDCDRO COc1cccc(C[NH+]2CC3(CN(C)C3)C2)c1O ZINC001203601991 966702196 /nfs/dbraw/zinc/70/21/96/966702196.db2.gz VOWUJVDTJOJRNM-UHFFFAOYSA-N 1 0 248.326 1.148 20 10 BDCDRO COc1ccc(C[N@H+](C)C2(C)COC2)c(O)c1 ZINC001203629258 966714052 /nfs/dbraw/zinc/71/40/52/966714052.db2.gz URCTTXBWZQGRSG-UHFFFAOYSA-N 1 0 237.299 1.622 20 10 BDCDRO C[NH+](C)C1CN(Cc2cc(Cl)ccc2O)C1 ZINC001203651355 966721271 /nfs/dbraw/zinc/72/12/71/966721271.db2.gz MRDATIZFWPSUMX-UHFFFAOYSA-N 1 0 240.734 1.791 20 10 BDCDRO COCC[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203873944 966805043 /nfs/dbraw/zinc/80/50/43/966805043.db2.gz KAIPJGCPDHRPLX-UHFFFAOYSA-N 1 0 211.261 1.176 20 10 BDCDRO O=C1NCC[C@]12CC[N@@H+](Cc1ccccc1O)C2 ZINC001203549950 966925475 /nfs/dbraw/zinc/92/54/75/966925475.db2.gz DPHSGIMGIRKPFB-CQSZACIVSA-N 1 0 246.310 1.104 20 10 BDCDRO C[N@H+](Cc1ccc(O)cc1O)CC1(C)COC1 ZINC001204275715 966951078 /nfs/dbraw/zinc/95/10/78/966951078.db2.gz YKSBFJKOEPCVTE-UHFFFAOYSA-N 1 0 237.299 1.566 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c(O)c1 ZINC001204272011 966954177 /nfs/dbraw/zinc/95/41/77/966954177.db2.gz GQAZKYLDDPTKAV-ZYHUDNBSSA-N 1 0 241.262 1.003 20 10 BDCDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2Cc1ccc(O)cc1O ZINC001204279444 966958029 /nfs/dbraw/zinc/95/80/29/966958029.db2.gz ZDWXZNYLSLKSOK-TXEJJXNPSA-N 1 0 248.326 1.376 20 10 BDCDRO [NH3+][C@H]1CN(Cc2cc(F)ccc2O)C[C@H]1F ZINC001204823802 967185603 /nfs/dbraw/zinc/18/56/03/967185603.db2.gz MAHJJHILEMINPE-ZJUUUORDSA-N 1 0 228.242 1.012 20 10 BDCDRO CC1([NH3+])CN(Cc2c(O)ccc(F)c2F)C1 ZINC001204985030 967277007 /nfs/dbraw/zinc/27/70/07/967277007.db2.gz BWHDTPOKLVILCS-UHFFFAOYSA-N 1 0 228.242 1.203 20 10 BDCDRO C[C@H]1CC[C@H](C[NH3+])N(Cc2ccc(N)cc2)C1 ZINC001205840971 967848491 /nfs/dbraw/zinc/84/84/91/967848491.db2.gz JDYQNCPXRUVPNP-SMDDNHRTSA-N 1 0 233.359 1.828 20 10 BDCDRO Cc1ccc(CN2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206722612 968441685 /nfs/dbraw/zinc/44/16/85/968441685.db2.gz DPQQGQBXTHEWJQ-UHFFFAOYSA-N 1 0 220.316 1.481 20 10 BDCDRO Cc1nc2c(ccn2C)c(C2=CCC[NH2+]C2)n1 ZINC001240651818 968621467 /nfs/dbraw/zinc/62/14/67/968621467.db2.gz PWLPBRKBKPJXHC-UHFFFAOYSA-N 1 0 228.299 1.653 20 10 BDCDRO COC[C@@H](O)C[NH2+]Cc1c(C)cc(C)cc1O ZINC001252829127 969031006 /nfs/dbraw/zinc/03/10/06/969031006.db2.gz FOCJRPXRXFBYIB-NSHDSACASA-N 1 0 239.315 1.106 20 10 BDCDRO C[n+]1cccc(NCc2ccc(O)c(O)c2)c1 ZINC001169997185 969975953 /nfs/dbraw/zinc/97/59/53/969975953.db2.gz UYLNKUDLWOOEPU-UHFFFAOYSA-O 1 0 231.275 1.534 20 10 BDCDRO Cc1c[nH+]ccc1Nc1ccc(O)cc1O ZINC001174537780 976823316 /nfs/dbraw/zinc/82/33/16/976823316.db2.gz QFERTTUCVBUBOY-UHFFFAOYSA-N 1 0 216.240 1.967 20 10 BDCDRO Cc1cc(Nc2cc(N)ccc2O)cc[nH+]1 ZINC001174656565 976949972 /nfs/dbraw/zinc/94/99/72/976949972.db2.gz FSNQCVIIAHBKES-UHFFFAOYSA-N 1 0 215.256 1.843 20 10 BDCDRO Cc1cc(Nc2cccc(N)c2O)cc[nH+]1 ZINC001174659817 976953968 /nfs/dbraw/zinc/95/39/68/976953968.db2.gz DMZQSBARPHEFBX-UHFFFAOYSA-N 1 0 215.256 1.843 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(CO)C2)c1O ZINC001231590579 977641661 /nfs/dbraw/zinc/64/16/61/977641661.db2.gz AWXSGPTWADDKJH-CQSZACIVSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c1O ZINC001231594263 977644671 /nfs/dbraw/zinc/64/46/71/977644671.db2.gz ZWDURKBXNYWNLQ-WCQYABFASA-N 1 0 233.311 1.921 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCNC(=O)CC2)c(O)c1 ZINC001231842624 977763835 /nfs/dbraw/zinc/76/38/35/977763835.db2.gz VNUFCGLPDNJSHV-UHFFFAOYSA-N 1 0 248.326 1.331 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332452 978568564 /nfs/dbraw/zinc/56/85/64/978568564.db2.gz LTCBXZAVGORJPS-MRVPVSSYSA-N 1 0 243.253 1.891 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000773752089 978592034 /nfs/dbraw/zinc/59/20/34/978592034.db2.gz HVLWIQKJBMJONB-CQSZACIVSA-N 1 0 248.370 1.957 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)cc1O ZINC001233482938 978611357 /nfs/dbraw/zinc/61/13/57/978611357.db2.gz IBEXPIZBCIQOMI-UHFFFAOYSA-N 1 0 235.283 1.789 20 10 BDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2cc(F)ccc2O)C1 ZINC001206424683 978914802 /nfs/dbraw/zinc/91/48/02/978914802.db2.gz RPCBHZSMJAWIKC-WDEREUQCSA-N 1 0 242.269 1.402 20 10 BDCDRO CC(=O)[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278660 978930980 /nfs/dbraw/zinc/93/09/80/978930980.db2.gz HFNJLFWFJBBGRB-NSHDSACASA-N 1 0 249.310 1.899 20 10 BDCDRO Nc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)cc1 ZINC001235049100 978962525 /nfs/dbraw/zinc/96/25/25/978962525.db2.gz RTJOMRMTCZFVDU-QWHCGFSZSA-N 1 0 217.316 1.205 20 10 BDCDRO Cc1cccc(O)c1CN(C)C[C@@H]1CCC[NH2+]1 ZINC001236124875 979404045 /nfs/dbraw/zinc/40/40/45/979404045.db2.gz QHAUORAYRFVRSL-LBPRGKRZSA-N 1 0 234.343 1.884 20 10 BDCDRO CN1CCOc2cc(CN3CC[C@@H]([NH3+])C3)ccc21 ZINC001236169751 979427618 /nfs/dbraw/zinc/42/76/18/979427618.db2.gz FUTNNSFGFXLHRZ-GFCCVEGCSA-N 1 0 247.342 1.048 20 10 BDCDRO Cc1cc(F)cc(CN2CC[C@H]([NH3+])C2)c1O ZINC001236174400 979437095 /nfs/dbraw/zinc/43/70/95/979437095.db2.gz PTBLMFXBMQPLDC-NSHDSACASA-N 1 0 224.279 1.373 20 10 BDCDRO C[N@H+](CCO)Cc1cc2ccccc2cc1O ZINC001236255872 979478714 /nfs/dbraw/zinc/47/87/14/979478714.db2.gz IUPGCYFHOLQKPQ-UHFFFAOYSA-N 1 0 231.295 1.970 20 10 BDCDRO CCc1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236286751 979490753 /nfs/dbraw/zinc/49/07/53/979490753.db2.gz COZUAASMQMWWGJ-CHWSQXEVSA-N 1 0 232.327 1.358 20 10 BDCDRO Nc1ccc(CNC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC001342023220 979626402 /nfs/dbraw/zinc/62/64/02/979626402.db2.gz UBAQYNIYEXCHTP-LBPRGKRZSA-N 1 0 233.315 1.012 20 10 BDCDRO CCc1ccc(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001236782482 979731016 /nfs/dbraw/zinc/73/10/16/979731016.db2.gz BQPZRQYOFVDXOR-UHFFFAOYSA-N 1 0 247.338 1.911 20 10 BDCDRO CCc1ccc(C[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC001236783271 979731757 /nfs/dbraw/zinc/73/17/57/979731757.db2.gz JNCWKVJUBHNLRP-CYBMUJFWSA-N 1 0 235.327 1.911 20 10 BDCDRO CCc1ccc(C[N@@H+]2CC[C@H](CO)C2)c(O)c1 ZINC001236790413 979739122 /nfs/dbraw/zinc/73/91/22/979739122.db2.gz WXCUDCLBFSWJJW-LBPRGKRZSA-N 1 0 235.327 1.769 20 10 BDCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001343472467 980119672 /nfs/dbraw/zinc/11/96/72/980119672.db2.gz HQLBDCPCZMXPRG-ZDUSSCGKSA-N 1 0 235.331 1.403 20 10 BDCDRO CN(C(=O)[C@]12CC[C@H]1C[NH2+]C2)c1ccc(N)cc1 ZINC001344369618 980377319 /nfs/dbraw/zinc/37/73/19/980377319.db2.gz VPPGDURWGYQVFB-HZMBPMFUSA-N 1 0 245.326 1.231 20 10 BDCDRO Nc1ccc(CN2CCC[C@@]23CCOC3=O)cc1 ZINC001352790011 982579811 /nfs/dbraw/zinc/57/98/11/982579811.db2.gz MYIQYAKGQVXBPE-AWEZNQCLSA-N 1 0 246.310 1.550 20 10 BDCDRO CC[N@@H+]1CCCc2cc(O)c(O)cc2C1 ZINC001201586513 983347691 /nfs/dbraw/zinc/34/76/91/983347691.db2.gz DOHXLBPKUBYVGP-UHFFFAOYSA-N 1 0 207.273 1.866 20 10 BDCDRO Nc1ccc(CN2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC001356083495 983567935 /nfs/dbraw/zinc/56/79/35/983567935.db2.gz PQPBGBAUOZHUER-VXGBXAGGSA-N 1 0 223.295 1.140 20 10 BDCDRO OC/C=C\C[NH2+]Cc1cc(F)ccc1O ZINC000717524648 984212482 /nfs/dbraw/zinc/21/24/82/984212482.db2.gz HGYJGYREWRPNIP-UPHRSURJSA-N 1 0 211.236 1.169 20 10 BDCDRO Cn1c(=O)cc(C2=CC[NH2+]C2)c2ccccc21 ZINC001243116919 984584539 /nfs/dbraw/zinc/58/45/39/984584539.db2.gz YWUODVJECBXCRT-UHFFFAOYSA-N 1 0 226.279 1.525 20 10 BDCDRO Cn1c(=O)ccc2ccc(C3=CC[NH2+]C3)cc21 ZINC001243115429 984585542 /nfs/dbraw/zinc/58/55/42/984585542.db2.gz KWGYTKSZSWLVDG-UHFFFAOYSA-N 1 0 226.279 1.525 20 10 BDCDRO Cc1ccc(CN2CC3(C2)CC[N@@H+](C)C3)c(O)c1 ZINC001276169831 984823648 /nfs/dbraw/zinc/82/36/48/984823648.db2.gz XJOSCEBAISPQDK-UHFFFAOYSA-N 1 0 246.354 1.838 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1ccc(Cl)cc1O ZINC001578638747 985250476 /nfs/dbraw/zinc/25/04/76/985250476.db2.gz TWKMMJODPVMYKD-QMMMGPOBSA-N 1 0 228.723 1.743 20 10 BDCDRO CCc1cccc(C[N@H+](C)CC(=O)NC)c1O ZINC000692109561 985408318 /nfs/dbraw/zinc/40/83/18/985408318.db2.gz PCUXKQKOQODHDO-UHFFFAOYSA-N 1 0 236.315 1.132 20 10 BDCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718252183 985841386 /nfs/dbraw/zinc/84/13/86/985841386.db2.gz XGFXTOUUDDIWQI-TXEJJXNPSA-N 1 0 219.284 1.470 20 10 BDCDRO Nc1ccc(C[NH2+][C@@H]2CCNC(=O)CC2)cc1 ZINC001580445718 986852855 /nfs/dbraw/zinc/85/28/55/986852855.db2.gz RFIKSSJCFYPSBK-LBPRGKRZSA-N 1 0 233.315 1.027 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2ccc(O)c(O)c2)C[NH2+]1 ZINC001246277118 987669401 /nfs/dbraw/zinc/66/94/01/987669401.db2.gz GXLFZOGVAJBGKT-KOLCDFICSA-N 1 0 236.315 1.328 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@]12CCOC2 ZINC001117994125 987975031 /nfs/dbraw/zinc/97/50/31/987975031.db2.gz KBQRABXPQAHIQR-CQSZACIVSA-N 1 0 249.310 1.766 20 10 BDCDRO COC(=O)Cc1ccc(C[NH+](C)C)c(O)c1 ZINC001249173566 989261760 /nfs/dbraw/zinc/26/17/60/989261760.db2.gz UDBMPDDQBAQXKE-UHFFFAOYSA-N 1 0 223.272 1.169 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)[C@@H](C)CN1C ZINC001120371044 989643177 /nfs/dbraw/zinc/64/31/77/989643177.db2.gz NSKVUXFKFFFPJV-NEPJUHHUSA-N 1 0 233.359 1.793 20 10 BDCDRO C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001524009763 989965153 /nfs/dbraw/zinc/96/51/53/989965153.db2.gz VPHOAAYPBXYNAP-GWCFXTLKSA-N 1 0 247.342 1.273 20 10 BDCDRO [NH3+]C1(CC(=O)NCc2c(O)cccc2F)CC1 ZINC001122174235 990277684 /nfs/dbraw/zinc/27/76/84/990277684.db2.gz SCRIENOIAJGLQT-UHFFFAOYSA-N 1 0 238.262 1.029 20 10 BDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cccc(F)c1[O-] ZINC001138123865 990886524 /nfs/dbraw/zinc/88/65/24/990886524.db2.gz OSMNYIOFYRIFLB-ONGXEEELSA-N 1 0 239.290 1.877 20 10 BDCDRO COc1cc(C)c(C[NH2+][C@H]2C[C@H](O)C2)c(O)c1 ZINC001308878071 991197654 /nfs/dbraw/zinc/19/76/54/991197654.db2.gz HTCYIRFZYBFMES-MGCOHNPYSA-N 1 0 237.299 1.322 20 10 BDCDRO CO[C@H](C)C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC001140060233 991511763 /nfs/dbraw/zinc/51/17/63/991511763.db2.gz QDZGPIAACOJUNB-SECBINFHSA-N 1 0 239.290 1.998 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001140062716 991517456 /nfs/dbraw/zinc/51/74/56/991517456.db2.gz FBIDDXAFNZTJGN-DGCLKSJQSA-N 1 0 237.274 1.895 20 10 BDCDRO Cc1ccc(C)c(CN2CC[N@@H+]3CC[C@H]2C3)c1O ZINC001140182494 991557037 /nfs/dbraw/zinc/55/70/37/991557037.db2.gz SFUBYDGDMWDLIM-ZDUSSCGKSA-N 1 0 246.354 1.899 20 10 BDCDRO CCN(C(=O)Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001332095519 991901229 /nfs/dbraw/zinc/90/12/29/991901229.db2.gz MTLAFVCFLZLYEY-ZDUSSCGKSA-N 1 0 247.342 1.022 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc(N)cc2)[C@@H](C)O1 ZINC001262487800 992892565 /nfs/dbraw/zinc/89/25/65/992892565.db2.gz GKXPKUGRVLCITK-BREBYQMCSA-N 1 0 220.316 1.924 20 10 BDCDRO C[C@H](C[NH3+])N(C)Cc1ccc(Cl)cc1O ZINC001576006669 993156143 /nfs/dbraw/zinc/15/61/43/993156143.db2.gz VWHKPTXPGPMGBY-MRVPVSSYSA-N 1 0 228.723 1.825 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(O)cc1O ZINC000380831843 993354486 /nfs/dbraw/zinc/35/44/86/993354486.db2.gz PWHWDYLBYIUBDX-LDYMZIIASA-N 1 0 222.288 1.019 20 10 BDCDRO Cc1cc(C[NH2+]Cc2ccccc2O)on1 ZINC000044985523 178027215 /nfs/dbraw/zinc/02/72/15/178027215.db2.gz WGABTRBFHVHPMS-UHFFFAOYSA-N 1 0 218.256 1.978 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1O ZINC000195006909 136221305 /nfs/dbraw/zinc/22/13/05/136221305.db2.gz CNFIXMGENJSMPG-BXKDBHETSA-N 1 0 248.326 1.315 20 10 BDCDRO CC[C@H](CO)[N@H+](C)Cc1ccccc1O ZINC000295027390 398264857 /nfs/dbraw/zinc/26/48/57/398264857.db2.gz CVNCIPZGPIYXGH-LLVKDONJSA-N 1 0 209.289 1.595 20 10 BDCDRO OCC[NH2+]Cc1cc(Br)ccc1O ZINC000032025670 342797419 /nfs/dbraw/zinc/79/74/19/342797419.db2.gz ZSQYILLRWOIHIQ-UHFFFAOYSA-N 1 0 246.104 1.237 20 10 BDCDRO CCN1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000019959871 342964865 /nfs/dbraw/zinc/96/48/65/342964865.db2.gz VYZFVGWSSXTIKK-CYBMUJFWSA-N 1 0 234.343 1.966 20 10 BDCDRO CC[C@@H]([NH2+][C@H](CO)COC)c1ccccc1O ZINC000233899630 343121014 /nfs/dbraw/zinc/12/10/14/343121014.db2.gz KESVOTAXZBYOJP-ZYHUDNBSSA-N 1 0 239.315 1.440 20 10 BDCDRO CC[C@H]([NH2+][C@@H](C)CO)c1ccccc1O ZINC000035602842 343299649 /nfs/dbraw/zinc/29/96/49/343299649.db2.gz YWQZBLCLTGPWSI-ONGXEEELSA-N 1 0 209.289 1.814 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@@H](C)CO)c1O ZINC000289488544 179068296 /nfs/dbraw/zinc/06/82/96/179068296.db2.gz RJAXZRIMQPSCPA-JTQLQIEISA-N 1 0 209.289 1.513 20 10 BDCDRO Cc1cccc(C[NH+]2CCC(O)CC2)c1O ZINC000132485266 179073839 /nfs/dbraw/zinc/07/38/39/179073839.db2.gz CFWFZFQXFWDJLS-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(C[N@H+]2CCOC[C@@H]2C)c1O ZINC000162813506 179080338 /nfs/dbraw/zinc/08/03/38/179080338.db2.gz HLSLAWRMBLJUNJ-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(C[NH2+]CCCOCCO)c1O ZINC000227521820 179089917 /nfs/dbraw/zinc/08/99/17/179089917.db2.gz PSIQZBWMXYJGMB-UHFFFAOYSA-N 1 0 239.315 1.189 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H](C)CCO)c1O ZINC000162868411 179094258 /nfs/dbraw/zinc/09/42/58/179094258.db2.gz CWUIJCRDWVLVMG-SNVBAGLBSA-N 1 0 223.316 1.809 20 10 BDCDRO CCN1CC[N@H+](Cc2ccccc2O)[C@@H](C)C1 ZINC000289199509 352175541 /nfs/dbraw/zinc/17/55/41/352175541.db2.gz BHKRAAXJNKGRJT-LBPRGKRZSA-N 1 0 234.343 1.918 20 10 BDCDRO CC(C)[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297613962 188269329 /nfs/dbraw/zinc/26/93/29/188269329.db2.gz IREDGLKZDKQTQM-WCQYABFASA-N 1 0 235.327 1.986 20 10 BDCDRO NC(=[NH2+])NCc1ccc(N2CCCC2)cc1 ZINC000073640707 181190958 /nfs/dbraw/zinc/19/09/58/181190958.db2.gz FSPZFRKLUJSZQF-UHFFFAOYSA-N 1 0 218.304 1.270 20 10 BDCDRO NC(=O)CC1CC[NH+](Cc2ccccc2O)CC1 ZINC000179558872 181220289 /nfs/dbraw/zinc/22/02/89/181220289.db2.gz KAJAEMCNZHLEBZ-UHFFFAOYSA-N 1 0 248.326 1.480 20 10 BDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000169816544 541362911 /nfs/dbraw/zinc/36/29/11/541362911.db2.gz LOKCQGZNNVAHCR-MFKMUULPSA-N 1 0 249.358 1.301 20 10 BDCDRO OCCCCC[NH2+]Cc1ccccc1O ZINC000083345891 183046983 /nfs/dbraw/zinc/04/69/83/183046983.db2.gz NXTXAHLQUYUSAL-UHFFFAOYSA-N 1 0 209.289 1.644 20 10 BDCDRO OCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296009497 183060652 /nfs/dbraw/zinc/06/06/52/183060652.db2.gz OTEOSLNJOJNZKX-JTQLQIEISA-N 1 0 207.273 1.352 20 10 BDCDRO Oc1ccc(C[N@H+]2CCC[C@@H](O)C2)c(O)c1 ZINC000039098685 183268887 /nfs/dbraw/zinc/26/88/87/183268887.db2.gz HORYLZZXUCKIHB-LLVKDONJSA-N 1 0 223.272 1.055 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000187985573 183274632 /nfs/dbraw/zinc/27/46/32/183274632.db2.gz OAXBFHIXOVXFMX-CABZTGNLSA-N 1 0 239.290 1.782 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000190265888 183274792 /nfs/dbraw/zinc/27/47/92/183274792.db2.gz YPARGYYZSKQJEB-AAEUAGOBSA-N 1 0 239.290 1.924 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000363940274 183303147 /nfs/dbraw/zinc/30/31/47/183303147.db2.gz XOOYODZUZZPZDV-GFCCVEGCSA-N 1 0 243.310 1.762 20 10 BDCDRO Oc1ccccc1C[NH2+]CCOCC1CC1 ZINC000163943630 183303583 /nfs/dbraw/zinc/30/35/83/183303583.db2.gz FTRBJZDIDKTVRB-UHFFFAOYSA-N 1 0 221.300 1.908 20 10 BDCDRO CCC[NH+]1CCN(Cc2ccccc2O)CC1 ZINC000131691431 169202284 /nfs/dbraw/zinc/20/22/84/169202284.db2.gz CQWOFAXPOKTVTP-UHFFFAOYSA-N 1 0 234.343 1.920 20 10 BDCDRO C[N@H+](CCn1cccn1)Cc1ccccc1O ZINC000111236168 383843476 /nfs/dbraw/zinc/84/34/76/383843476.db2.gz QSZGGDZIZDQMMJ-UHFFFAOYSA-N 1 0 231.299 1.721 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000066057174 383845708 /nfs/dbraw/zinc/84/57/08/383845708.db2.gz OSFXNZDHYYXAHK-UHFFFAOYSA-N 1 0 248.370 1.957 20 10 BDCDRO C[C@@H]([NH2+]CCN(C)C)c1ccc(N(C)C)cc1 ZINC000037184063 383954856 /nfs/dbraw/zinc/95/48/56/383954856.db2.gz AMNJYGSYAICQGZ-GFCCVEGCSA-N 1 0 235.375 1.965 20 10 BDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000071264961 384156545 /nfs/dbraw/zinc/15/65/45/384156545.db2.gz YVMWENYSVJPPTL-QWRGUYRKSA-N 1 0 239.315 1.359 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000070954769 384143410 /nfs/dbraw/zinc/14/34/10/384143410.db2.gz CWBMBRFQIDVQET-JTQLQIEISA-N 1 0 209.289 1.825 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071277938 384160671 /nfs/dbraw/zinc/16/06/71/384160671.db2.gz GCBODMMHKCNRQU-AWEZNQCLSA-N 1 0 234.343 1.613 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)c2nncn2C)c1 ZINC000071407592 384166194 /nfs/dbraw/zinc/16/61/94/384166194.db2.gz WOEUHNSRBRVAGE-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C(C)(C)[NH3+] ZINC000040924076 384170972 /nfs/dbraw/zinc/17/09/72/384170972.db2.gz GMAPGASHMLJJCV-UHFFFAOYSA-N 1 0 222.288 1.088 20 10 BDCDRO C[C@H](CCO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000132547165 384236393 /nfs/dbraw/zinc/23/63/93/384236393.db2.gz AKKOQATZGVEWMQ-RKDXNWHRSA-N 1 0 227.279 1.953 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)CC[C@@H](C)O)c1 ZINC000093481761 384241638 /nfs/dbraw/zinc/24/16/38/384241638.db2.gz QTEUIZAKAGSRBO-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000083347399 384298059 /nfs/dbraw/zinc/29/80/59/384298059.db2.gz LOVBIAIPAWFUHV-SNVBAGLBSA-N 1 0 213.252 1.392 20 10 BDCDRO CN(CC[NH+](C)C)Cc1cc(F)ccc1O ZINC000139747047 384628811 /nfs/dbraw/zinc/62/88/11/384628811.db2.gz CHUJAQDSFXQYCN-UHFFFAOYSA-N 1 0 226.295 1.525 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)CO)c1 ZINC000125739254 384746371 /nfs/dbraw/zinc/74/63/71/384746371.db2.gz FMOWYZNUCORAEH-QWRGUYRKSA-N 1 0 223.316 1.807 20 10 BDCDRO C[C@H](O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083607998 384782717 /nfs/dbraw/zinc/78/27/17/384782717.db2.gz BLEZNUCEFHSQSP-QMMMGPOBSA-N 1 0 229.707 1.906 20 10 BDCDRO CC[N@H+](CCO)Cc1cccc(OC)c1O ZINC000127966155 384972179 /nfs/dbraw/zinc/97/21/79/384972179.db2.gz QGMABNBRKCJQBR-UHFFFAOYSA-N 1 0 225.288 1.215 20 10 BDCDRO COc1cc(Cl)cc(C[NH2+][C@@H](C)CO)c1O ZINC000128612166 385054822 /nfs/dbraw/zinc/05/48/22/385054822.db2.gz SVEWLCDKTNZBMZ-ZETCQYMHSA-N 1 0 245.706 1.525 20 10 BDCDRO C[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193447890 385396300 /nfs/dbraw/zinc/39/63/00/385396300.db2.gz USNRPKRXNJGVIE-LLVKDONJSA-N 1 0 222.332 1.565 20 10 BDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccccc1O ZINC000295220487 385500195 /nfs/dbraw/zinc/50/01/95/385500195.db2.gz QYYNVFBZKYXLHY-SECBINFHSA-N 1 0 234.299 1.149 20 10 BDCDRO CC(C)(CCO)[NH2+]Cc1cc(F)ccc1O ZINC000180741103 385544845 /nfs/dbraw/zinc/54/48/45/385544845.db2.gz CFBGMSHGDPLJGD-UHFFFAOYSA-N 1 0 227.279 1.782 20 10 BDCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000185818603 385740576 /nfs/dbraw/zinc/74/05/76/385740576.db2.gz AZZTZHCQGAJKSE-JDGPPOGSSA-N 1 0 221.300 1.809 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000271356143 385821415 /nfs/dbraw/zinc/82/14/15/385821415.db2.gz MHRSLCBDMAZGDG-NSHDSACASA-N 1 0 235.283 1.387 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000234887092 386112847 /nfs/dbraw/zinc/11/28/47/386112847.db2.gz SPGDHDXYOKFEFO-LBPRGKRZSA-N 1 0 221.300 1.921 20 10 BDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000234889316 386114294 /nfs/dbraw/zinc/11/42/94/386114294.db2.gz PPNDVANZNWUBSY-WDEREUQCSA-N 1 0 239.315 1.359 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CCCO)cc1 ZINC000263833673 386180500 /nfs/dbraw/zinc/18/05/00/386180500.db2.gz DCQIDWXZUPZYLJ-UHFFFAOYSA-N 1 0 222.332 1.567 20 10 BDCDRO C[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000289470444 386309298 /nfs/dbraw/zinc/30/92/98/386309298.db2.gz PKNGRPWMAQGKCM-SNVBAGLBSA-N 1 0 240.322 1.704 20 10 BDCDRO C[N@H+](Cc1ccccc1O)CC(C)(C)O ZINC000264730244 386266793 /nfs/dbraw/zinc/26/67/93/386266793.db2.gz QWLNMLAOAGJIMX-UHFFFAOYSA-N 1 0 209.289 1.595 20 10 BDCDRO COC[C@@H](C[NH2+]Cc1cc(C)ccc1O)OC ZINC000227704620 386504683 /nfs/dbraw/zinc/50/46/83/386504683.db2.gz HKYSVKLKNSHMFR-GFCCVEGCSA-N 1 0 239.315 1.452 20 10 BDCDRO COC[C@H](C[NH2+]Cc1cc(C)ccc1O)OC ZINC000227704623 386505747 /nfs/dbraw/zinc/50/57/47/386505747.db2.gz HKYSVKLKNSHMFR-LBPRGKRZSA-N 1 0 239.315 1.452 20 10 BDCDRO Cc1cc(C[N@@H+](C)[C@H](C)CO)ccc1N(C)C ZINC000293993135 386672657 /nfs/dbraw/zinc/67/26/57/386672657.db2.gz FQIDBYHWYZYOLD-GFCCVEGCSA-N 1 0 236.359 1.874 20 10 BDCDRO COC[C@@H](CCO)[NH2+]Cc1cc(C)ccc1O ZINC000219128032 387891184 /nfs/dbraw/zinc/89/11/84/387891184.db2.gz IIUGZHSGRNGFHP-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2COC[C@H]2O)c(O)c1 ZINC000296084269 388416899 /nfs/dbraw/zinc/41/68/99/388416899.db2.gz XNSYNCIFKLTXEW-UFGOTCBOSA-N 1 0 237.299 1.111 20 10 BDCDRO CC(C)[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297613958 388430143 /nfs/dbraw/zinc/43/01/43/388430143.db2.gz IREDGLKZDKQTQM-AAEUAGOBSA-N 1 0 235.327 1.986 20 10 BDCDRO C[C@@H](C[NH2+][C@@H]1CCc2cccc(O)c21)N(C)C ZINC000297659965 388431066 /nfs/dbraw/zinc/43/10/66/388431066.db2.gz KNFDAHVBAAOXCB-CMPLNLGQSA-N 1 0 234.343 1.919 20 10 BDCDRO COc1cccc(C[NH2+]CC2COC2)c1O ZINC000527816983 322863587 /nfs/dbraw/zinc/86/35/87/322863587.db2.gz JCGQLVNSZSATMU-UHFFFAOYSA-N 1 0 223.272 1.137 20 10 BDCDRO CC1(C[NH2+]Cc2ccc3c(c2)CCO3)COC1 ZINC000083523157 168043837 /nfs/dbraw/zinc/04/38/37/168043837.db2.gz GUHHGZJCGQUCOP-UHFFFAOYSA-N 1 0 233.311 1.748 20 10 BDCDRO CCN(CC(=O)OC)Cc1ccccc1O ZINC000272217304 411432905 /nfs/dbraw/zinc/43/29/05/411432905.db2.gz BGXGYTJIJXXQFL-UHFFFAOYSA-N 1 0 223.272 1.387 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000036794755 170095112 /nfs/dbraw/zinc/09/51/12/170095112.db2.gz FNGYXNZCTHFGAR-VIFPVBQESA-N 1 0 222.288 1.006 20 10 BDCDRO CCOCCC[NH2+]Cc1cc(OC)ccc1O ZINC000020092329 170381015 /nfs/dbraw/zinc/38/10/15/170381015.db2.gz DKTILHOBBMKIRA-UHFFFAOYSA-N 1 0 239.315 1.917 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCOC2)cc1 ZINC000070964846 172554382 /nfs/dbraw/zinc/55/43/82/172554382.db2.gz SYBZZUMJRBHEKN-LBPRGKRZSA-N 1 0 220.316 1.631 20 10 BDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000082284151 173031770 /nfs/dbraw/zinc/03/17/70/173031770.db2.gz QQGPYNYEPOLHHY-CYBMUJFWSA-N 1 0 247.342 1.022 20 10 BDCDRO CNC(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000179581246 173236878 /nfs/dbraw/zinc/23/68/78/173236878.db2.gz TUYRYOQJROKBQA-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO COCCOCCC[NH2+]Cc1ccccc1O ZINC000020191928 174350497 /nfs/dbraw/zinc/35/04/97/174350497.db2.gz WKHLUJUECQVKQV-UHFFFAOYSA-N 1 0 239.315 1.535 20 10 BDCDRO COCC[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000172071657 174399872 /nfs/dbraw/zinc/39/98/72/174399872.db2.gz XIOIXXWZDCFNRQ-CYBMUJFWSA-N 1 0 239.315 1.269 20 10 BDCDRO COC[C@@H](O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226618234 174489652 /nfs/dbraw/zinc/48/96/52/174489652.db2.gz UMQYVAZUSLPPNA-NSHDSACASA-N 1 0 243.278 1.018 20 10 BDCDRO COc1ccc(O)c(CN2CCC[NH2+]CC2)c1 ZINC000038087042 175158106 /nfs/dbraw/zinc/15/81/06/175158106.db2.gz PSVIMTBOODTLEV-UHFFFAOYSA-N 1 0 236.315 1.196 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCc2cn[nH]c2)c1 ZINC000291621759 175159110 /nfs/dbraw/zinc/15/91/10/175159110.db2.gz RQDLKAWDHBVVEU-UHFFFAOYSA-N 1 0 247.298 1.456 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H]2CCCO2)c1 ZINC000020092619 175159206 /nfs/dbraw/zinc/15/92/06/175159206.db2.gz FUXWXLZIMYGGHR-GFCCVEGCSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC[C@H](C)OC)c1 ZINC000271901781 175159361 /nfs/dbraw/zinc/15/93/61/175159361.db2.gz VUEZREMUCJKYEG-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000367840376 175261913 /nfs/dbraw/zinc/26/19/13/175261913.db2.gz QJDGTLKYHRMNTO-GDNZZTSVSA-N 1 0 249.310 1.071 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H](C)N(C)C)c1O ZINC000038088870 175264392 /nfs/dbraw/zinc/26/43/92/175264392.db2.gz XBVMRTKZODUYEA-JTQLQIEISA-N 1 0 238.331 1.441 20 10 BDCDRO COc1cccc(C[NH2+]CC[C@H](C)OC)c1O ZINC000263831254 175264923 /nfs/dbraw/zinc/26/49/23/175264923.db2.gz VINWYZUYBITWRJ-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)CF)c1O ZINC000288453172 175265827 /nfs/dbraw/zinc/26/58/27/175265827.db2.gz NEIJHCZCFNQQMJ-QMMMGPOBSA-N 1 0 213.252 1.848 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1ccc(N(C)C)cc1C ZINC000853250012 588729361 /nfs/dbraw/zinc/72/93/61/588729361.db2.gz YBBCVULVJLRZLH-GFCCVEGCSA-N 1 0 235.375 1.759 20 10 BDCDRO C[C@H]([NH3+])CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892104131 582792571 /nfs/dbraw/zinc/79/25/71/582792571.db2.gz VZLQIPPKRYBARI-IUCAKERBSA-N 1 0 237.303 1.100 20 10 BDCDRO C[C@H](O)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000114771300 588882036 /nfs/dbraw/zinc/88/20/36/588882036.db2.gz BBFYYZHZMZVTIQ-JTQLQIEISA-N 1 0 240.322 1.752 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)C[S@](C)=O)c(O)c1 ZINC000877311336 583311949 /nfs/dbraw/zinc/31/19/49/583311949.db2.gz VUJHZZQRXFOGIF-QFYYESIMSA-N 1 0 241.356 1.557 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000877468773 583317186 /nfs/dbraw/zinc/31/71/86/583317186.db2.gz MPXKOIGQVHSBHJ-NEPJUHHUSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(C[NH2+]C2([C@H](C)O)CC2)c(O)c1 ZINC000877637479 583339746 /nfs/dbraw/zinc/33/97/46/583339746.db2.gz IWDDSGWBJIZKMN-JTQLQIEISA-N 1 0 221.300 1.704 20 10 BDCDRO COc1cc(C)cc(C[N@H+](C)[C@H](C)CO)c1O ZINC000894770147 583516889 /nfs/dbraw/zinc/51/68/89/583516889.db2.gz LVFBXXATRBGMHY-SNVBAGLBSA-N 1 0 239.315 1.522 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1COCO1 ZINC000894880141 583543463 /nfs/dbraw/zinc/54/34/63/583543463.db2.gz AMLUXJWMAPNOMV-JTQLQIEISA-N 1 0 223.272 1.163 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895652511 583703777 /nfs/dbraw/zinc/70/37/77/583703777.db2.gz HTDKQYYMTKSCFW-BXKDBHETSA-N 1 0 223.247 1.098 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCN(C)[C@@H]1C ZINC000896554153 583811514 /nfs/dbraw/zinc/81/15/14/583811514.db2.gz HUTFHRYRMHGEJO-YPMHNXCESA-N 1 0 234.343 1.883 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C)[C@H]1C ZINC000896554152 583812158 /nfs/dbraw/zinc/81/21/58/583812158.db2.gz HUTFHRYRMHGEJO-WCQYABFASA-N 1 0 234.343 1.883 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC2COC2)cc1 ZINC000858300154 588943454 /nfs/dbraw/zinc/94/34/54/588943454.db2.gz FVKORRUCDKPRTG-UHFFFAOYSA-N 1 0 220.316 1.489 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](OC)C1 ZINC000858321839 588945151 /nfs/dbraw/zinc/94/51/51/588945151.db2.gz HIBFLJVECRCDCE-MGCOHNPYSA-N 1 0 237.299 1.668 20 10 BDCDRO CCOc1ccc(CN(C)C[C@@H](C)[NH3+])c(O)c1 ZINC000863650780 583994959 /nfs/dbraw/zinc/99/49/59/583994959.db2.gz AAJINOMYKIDOOM-SNVBAGLBSA-N 1 0 238.331 1.570 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897680118 584038393 /nfs/dbraw/zinc/03/83/93/584038393.db2.gz PIGUGQQMCIHYCD-SWLSCSKDSA-N 1 0 248.370 1.874 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897818481 584050895 /nfs/dbraw/zinc/05/08/95/584050895.db2.gz JFBOEKIVXOFYSB-QXJJFIIZSA-N 1 0 249.285 1.797 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](F)C2)c(O)c1 ZINC000898182394 584093423 /nfs/dbraw/zinc/09/34/23/584093423.db2.gz COISBHRVJRYUEW-RYUDHWBXSA-N 1 0 239.290 1.605 20 10 BDCDRO C[NH2+]CCC[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841042007 584119464 /nfs/dbraw/zinc/11/94/64/584119464.db2.gz KRVIDBYAPWYABB-UHFFFAOYSA-N 1 0 228.723 1.745 20 10 BDCDRO Cc1cc(C)c(O)c(C[N@@H+]2CC[C@H]2CO)c1 ZINC000902629894 584646170 /nfs/dbraw/zinc/64/61/70/584646170.db2.gz JQONPYUALCYPEY-LBPRGKRZSA-N 1 0 221.300 1.576 20 10 BDCDRO [NH3+]C[C@H](NCc1ccc2c(c1)CCCO2)C1CC1 ZINC000904350059 584869152 /nfs/dbraw/zinc/86/91/52/584869152.db2.gz GQTPYJRVSCLQBF-AWEZNQCLSA-N 1 0 246.354 1.839 20 10 BDCDRO COC[C@H](CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877050410 584889014 /nfs/dbraw/zinc/88/90/14/584889014.db2.gz ZQQXPGJSUOJOCX-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO C[C@H]1CCNC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957622 584992441 /nfs/dbraw/zinc/99/24/41/584992441.db2.gz NGHUBLSRBYLLIF-SMDDNHRTSA-N 1 0 233.359 1.399 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000839129716 585093582 /nfs/dbraw/zinc/09/35/82/585093582.db2.gz PRTUEHUGABQSJI-ZYHUDNBSSA-N 1 0 237.299 1.404 20 10 BDCDRO CCNC(=O)C1C[NH+](Cc2cccc(C)c2O)C1 ZINC000839138485 585094251 /nfs/dbraw/zinc/09/42/51/585094251.db2.gz MAJVMZNNWZZECO-UHFFFAOYSA-N 1 0 248.326 1.269 20 10 BDCDRO O=C1NCCC[C@H]1C[NH2+]Cc1ccccc1O ZINC000839196652 585098988 /nfs/dbraw/zinc/09/89/88/585098988.db2.gz WRUOOWZWTLRZAW-NSHDSACASA-N 1 0 234.299 1.008 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)CC1(O)CCC1 ZINC000761218320 585412614 /nfs/dbraw/zinc/41/26/14/585412614.db2.gz AXYQBGJBUMWJBW-UHFFFAOYSA-N 1 0 239.290 1.878 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)C1CC1 ZINC000768335261 585535757 /nfs/dbraw/zinc/53/57/57/585535757.db2.gz KWLRXKZYSAVRKH-UHFFFAOYSA-N 1 0 207.273 1.995 20 10 BDCDRO CC[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CC1 ZINC000768440143 585538666 /nfs/dbraw/zinc/53/86/66/585538666.db2.gz DIPUGXZTTGDGTK-ZDUSSCGKSA-N 1 0 249.310 1.802 20 10 BDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CCC1 ZINC000768465360 585539156 /nfs/dbraw/zinc/53/91/56/585539156.db2.gz HJMXFSKNDLPILZ-CYBMUJFWSA-N 1 0 249.310 1.802 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)Cn2cnnc2)cc1 ZINC000776756300 585703728 /nfs/dbraw/zinc/70/37/28/585703728.db2.gz NTKXIXJRDSUDIL-UHFFFAOYSA-N 1 0 245.330 1.434 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CCn2ccnc2C1 ZINC000778189584 585727142 /nfs/dbraw/zinc/72/71/42/585727142.db2.gz RDDATNXFPLDYLF-GFCCVEGCSA-N 1 0 243.310 1.693 20 10 BDCDRO Oc1cc2c(cc1C[N@H+]1CC=CCC1)OCO2 ZINC000778577778 585737700 /nfs/dbraw/zinc/73/77/00/585737700.db2.gz XSQSWFLYAHHPHM-UHFFFAOYSA-N 1 0 233.267 1.883 20 10 BDCDRO C[C@@H](CCO)[NH2+]CCCSc1nccs1 ZINC000779349067 585752329 /nfs/dbraw/zinc/75/23/29/585752329.db2.gz VKUZZDNQCCDIEN-VIFPVBQESA-N 1 0 246.401 1.986 20 10 BDCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000788268492 585920222 /nfs/dbraw/zinc/92/02/22/585920222.db2.gz DLEGAVLLHHKIBJ-SMDDNHRTSA-N 1 0 234.343 1.708 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ncnn1C ZINC000788971522 585932617 /nfs/dbraw/zinc/93/26/17/585932617.db2.gz KKPGNEZLROVCFV-SECBINFHSA-N 1 0 232.287 1.372 20 10 BDCDRO COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000792197605 585997317 /nfs/dbraw/zinc/99/73/17/585997317.db2.gz ZBIUMUBHKAQFHO-ZYHUDNBSSA-N 1 0 249.310 1.824 20 10 BDCDRO CCOc1ccc(C[N@H+](C)CCCO)c(O)c1 ZINC000799740285 586195406 /nfs/dbraw/zinc/19/54/06/586195406.db2.gz YEQYNHNPAGEIAV-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO COc1cccc(C[NH+]2CC(C)C2)c1O ZINC000802651241 586307444 /nfs/dbraw/zinc/30/74/44/586307444.db2.gz KSHFSBSYYKHFRJ-UHFFFAOYSA-N 1 0 207.273 1.853 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCCOC1 ZINC000808436541 586472208 /nfs/dbraw/zinc/47/22/08/586472208.db2.gz ZUILGYHKIBHJDC-JTQLQIEISA-N 1 0 237.299 1.669 20 10 BDCDRO CC[C@H]1CN(C)CC[N@@H+]1Cc1ccccc1O ZINC000816660765 586753333 /nfs/dbraw/zinc/75/33/33/586753333.db2.gz OMPUITCXWNTFCO-ZDUSSCGKSA-N 1 0 234.343 1.918 20 10 BDCDRO C[C@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]1 ZINC000817902854 586836488 /nfs/dbraw/zinc/83/64/88/586836488.db2.gz ZNNRTBVTYNACIH-FZMZJTMJSA-N 1 0 246.354 1.852 20 10 BDCDRO Oc1cccc2c1[C@@H](N[C@@H]1CC[NH2+]C1)CC2 ZINC000817944608 586846009 /nfs/dbraw/zinc/84/60/09/586846009.db2.gz IAOHRXDULMPLMM-MNOVXSKESA-N 1 0 218.300 1.331 20 10 BDCDRO COc1ccc(O)c([C@@H](C)N[C@H]2CC[NH2+]C2)c1 ZINC000817944714 586846037 /nfs/dbraw/zinc/84/60/37/586846037.db2.gz KCWUSYLFTCGDRP-ZJUUUORDSA-N 1 0 236.315 1.413 20 10 BDCDRO CC[C@H](N[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944913 586846136 /nfs/dbraw/zinc/84/61/36/586846136.db2.gz OYTKDFREGPLTGM-JQWIXIFHSA-N 1 0 220.316 1.795 20 10 BDCDRO C[NH2+]CCN[C@H](C)c1c(C)cc(C)cc1O ZINC000817951890 586847525 /nfs/dbraw/zinc/84/75/25/586847525.db2.gz KWIZQGOYILCVAH-LLVKDONJSA-N 1 0 222.332 1.879 20 10 BDCDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817951224 586847618 /nfs/dbraw/zinc/84/76/18/586847618.db2.gz BXLWVNNXVCZYHA-GXSJLCMTSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817951227 586848117 /nfs/dbraw/zinc/84/81/17/586848117.db2.gz BXLWVNNXVCZYHA-ONGXEEELSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@@H](NCC[NH2+]C1CC1)c1cc(F)ccc1O ZINC000817953732 586848562 /nfs/dbraw/zinc/84/85/62/586848562.db2.gz PVMPJCCFRHRYOU-SECBINFHSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@H](NCC[NH2+]C1CC1)c1cc(F)ccc1O ZINC000817953733 586848570 /nfs/dbraw/zinc/84/85/70/586848570.db2.gz PVMPJCCFRHRYOU-VIFPVBQESA-N 1 0 238.306 1.934 20 10 BDCDRO C[NH2+]CCN[C@H](C)c1cc(F)ccc1O ZINC000817952898 586849227 /nfs/dbraw/zinc/84/92/27/586849227.db2.gz WJXKDRLBUOOZIN-MRVPVSSYSA-N 1 0 212.268 1.401 20 10 BDCDRO CC[NH2+]CCN[C@@H](C)c1ccccc1O ZINC000817953296 586849347 /nfs/dbraw/zinc/84/93/47/586849347.db2.gz ZGIVZFLPOSXBMT-JTQLQIEISA-N 1 0 208.305 1.652 20 10 BDCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCCO1 ZINC000817957880 586850865 /nfs/dbraw/zinc/85/08/65/586850865.db2.gz QIRNHEGRXCKETH-SMDDNHRTSA-N 1 0 234.343 1.968 20 10 BDCDRO C[C@@H]([NH3+])CN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817972184 586858797 /nfs/dbraw/zinc/85/87/97/586858797.db2.gz UWPPINVTCIYUCL-MNOVXSKESA-N 1 0 221.348 1.750 20 10 BDCDRO C[C@@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)ccc1O ZINC000817977311 586861234 /nfs/dbraw/zinc/86/12/34/586861234.db2.gz HGJYDTGDOHKKSU-XDRUHAPNSA-N 1 0 236.290 1.400 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000818230559 586880672 /nfs/dbraw/zinc/88/06/72/586880672.db2.gz GNQJYOIZGPWTSW-LRPXVYOUSA-N 1 0 246.354 1.879 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c1O ZINC000825279561 587312669 /nfs/dbraw/zinc/31/26/69/587312669.db2.gz RSCLDQYQXJXVEJ-CMPLNLGQSA-N 1 0 248.326 1.444 20 10 BDCDRO C[C@H](C(=O)N1Cc2cccc(O)c2C1)[NH+](C)C ZINC000825356403 587316825 /nfs/dbraw/zinc/31/68/25/587316825.db2.gz SYUUZBCXAXPDPP-SECBINFHSA-N 1 0 234.299 1.185 20 10 BDCDRO C[C@@H]1[C@H](C(=O)NCc2ccccc2O)CC[N@@H+]1C ZINC000825658051 587329737 /nfs/dbraw/zinc/32/97/37/587329737.db2.gz AVHPYKHBICOPQU-ZYHUDNBSSA-N 1 0 248.326 1.349 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827289927 587375469 /nfs/dbraw/zinc/37/54/69/587375469.db2.gz FCDDKOJEAWLCIK-IINYFYTJSA-N 1 0 249.310 1.358 20 10 BDCDRO C[C@@H](O)C1([NH2+]Cc2ccccc2O)CC1 ZINC000827580544 587389839 /nfs/dbraw/zinc/38/98/39/587389839.db2.gz UMBCZLKRPCNWKJ-SECBINFHSA-N 1 0 207.273 1.395 20 10 BDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000827812643 587403892 /nfs/dbraw/zinc/40/38/92/587403892.db2.gz STIFPVKVQDDTKL-XYPYZODXSA-N 1 0 235.283 1.433 20 10 BDCDRO C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1O ZINC000827936905 587411106 /nfs/dbraw/zinc/41/11/06/587411106.db2.gz GBWPHFONBHPXLS-ZJUUUORDSA-N 1 0 236.315 1.520 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC(C)(C(N)=O)C2)cc1 ZINC000829070565 587481923 /nfs/dbraw/zinc/48/19/23/587481923.db2.gz WBOUJAHDBSHGJG-UHFFFAOYSA-N 1 0 247.342 1.060 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+]CCCO)cc1 ZINC000835033908 587779297 /nfs/dbraw/zinc/77/92/97/587779297.db2.gz LGOXXAOWHVLGGV-HWKANZROSA-N 1 0 234.343 1.738 20 10 BDCDRO C[C@@]1(C[NH2+]Cc2ccccc2O)CCC(=O)N1 ZINC000835059829 587779943 /nfs/dbraw/zinc/77/99/43/587779943.db2.gz DXAFVEJOFDEYCU-ZDUSSCGKSA-N 1 0 234.299 1.151 20 10 BDCDRO COc1cccc(O)c1CN1CC[C@H]([NH3+])[C@@H]1C ZINC000841025854 587935430 /nfs/dbraw/zinc/93/54/30/587935430.db2.gz LCYAULWBVCSXFE-ONGXEEELSA-N 1 0 236.315 1.322 20 10 BDCDRO [O-]c1c(F)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000841035870 587937859 /nfs/dbraw/zinc/93/78/59/587937859.db2.gz JFJBYPVVICXECZ-SNVBAGLBSA-N 1 0 238.306 1.621 20 10 BDCDRO [O-]c1c(F)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000841035868 587937885 /nfs/dbraw/zinc/93/78/85/587937885.db2.gz JFJBYPVVICXECZ-JTQLQIEISA-N 1 0 238.306 1.621 20 10 BDCDRO Cc1cc(O)c(CN[C@@H]2CCC[NH2+]C2)cc1C ZINC000841041656 587938406 /nfs/dbraw/zinc/93/84/06/587938406.db2.gz CWECPXMCTCPBJO-CYBMUJFWSA-N 1 0 234.343 1.851 20 10 BDCDRO [NH3+]C1(C[NH2+]Cc2cccc(F)c2[O-])CCC1 ZINC000841048829 587939706 /nfs/dbraw/zinc/93/97/06/587939706.db2.gz MACUQXWUMXYXJC-UHFFFAOYSA-N 1 0 224.279 1.502 20 10 BDCDRO C[C@@H](C[NH3+])C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841049792 587940313 /nfs/dbraw/zinc/94/03/13/587940313.db2.gz WKFULCNIHXSPNW-QMMMGPOBSA-N 1 0 228.723 1.730 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1cccc(F)c1O ZINC000841066996 587942334 /nfs/dbraw/zinc/94/23/34/587942334.db2.gz YXGWXUJJCHRZLK-SECBINFHSA-N 1 0 226.295 1.619 20 10 BDCDRO Oc1ccccc1CN[C@@H]1C[NH2+]CCC1(F)F ZINC000841075763 587943968 /nfs/dbraw/zinc/94/39/68/587943968.db2.gz WDHLGJQTRYSDGP-LLVKDONJSA-N 1 0 242.269 1.479 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2CCCC[NH2+]C2)cc1 ZINC000841088609 587945703 /nfs/dbraw/zinc/94/57/03/587945703.db2.gz AZVBDNYLVNLPSO-CQSZACIVSA-N 1 0 247.386 1.984 20 10 BDCDRO NC[C@H]([NH2+]Cc1ccccc1O)C1CCCC1 ZINC000841088256 587945748 /nfs/dbraw/zinc/94/57/48/587945748.db2.gz UHMMPZIRZCSWMY-ZDUSSCGKSA-N 1 0 234.343 1.999 20 10 BDCDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000841890652 587982136 /nfs/dbraw/zinc/98/21/36/587982136.db2.gz DDHURVNKFOPONB-KLPPZKSPSA-N 1 0 207.273 1.395 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2c(O)cccc2OC)C1 ZINC000843045422 588076006 /nfs/dbraw/zinc/07/60/06/588076006.db2.gz QHEBEENYHXYDPA-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO [NH3+]C1CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843047244 588076208 /nfs/dbraw/zinc/07/62/08/588076208.db2.gz HQXWSTIEQKGEBC-UHFFFAOYSA-N 1 0 224.279 1.454 20 10 BDCDRO Cc1cc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)cc1C ZINC000843120581 588083678 /nfs/dbraw/zinc/08/36/78/588083678.db2.gz QKMWNEXUVRYABP-DGCLKSJQSA-N 1 0 234.343 1.788 20 10 BDCDRO CCN(CCOCC[NH3+])c1ccc(OC)cc1 ZINC000843358052 588103902 /nfs/dbraw/zinc/10/39/02/588103902.db2.gz YHLCOBYJPZKJCU-UHFFFAOYSA-N 1 0 238.331 1.497 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]CCCCO)c1O ZINC000846163985 588258961 /nfs/dbraw/zinc/25/89/61/588258961.db2.gz CVMARBGNKMFGQA-SNVBAGLBSA-N 1 0 239.315 1.824 20 10 BDCDRO C[C@@H]1C[NH2+]CCN1Cc1ccccc1O ZINC000107093369 588328574 /nfs/dbraw/zinc/32/85/74/588328574.db2.gz PTIIEYIJBSMKBU-SNVBAGLBSA-N 1 0 206.289 1.186 20 10 BDCDRO CCNC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025017 588440224 /nfs/dbraw/zinc/44/02/24/588440224.db2.gz JUOSLGWPWJQLQS-UHFFFAOYSA-N 1 0 223.276 1.035 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]C/C=C\CO)c1O ZINC000850510219 588554708 /nfs/dbraw/zinc/55/47/08/588554708.db2.gz VZCLDENULHUBDD-UMBAGQNISA-N 1 0 237.299 1.600 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1O ZINC000862439957 589212975 /nfs/dbraw/zinc/21/29/75/589212975.db2.gz CINGKJBOMQNAFS-PHIMTYICSA-N 1 0 219.284 1.853 20 10 BDCDRO Cc1cc(O)c(CN[C@@H]2CC[NH2+][C@H]2C)cc1C ZINC000863487028 589293777 /nfs/dbraw/zinc/29/37/77/589293777.db2.gz ISFWBCQBADQELQ-WCQYABFASA-N 1 0 234.343 1.849 20 10 BDCDRO COc1ccc(O)c(CNC(=[NH2+])N[C@H]2C[C@@H]2C)c1 ZINC000864462053 589369296 /nfs/dbraw/zinc/36/92/96/589369296.db2.gz RCQWKHIPLSHDHQ-KWQFWETISA-N 1 0 249.314 1.423 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@@H]2O)c(O)c1 ZINC000866421210 589492213 /nfs/dbraw/zinc/49/22/13/589492213.db2.gz XNSYNCIFKLTXEW-XWIASGKRSA-N 1 0 237.299 1.111 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)C(C)(C)O ZINC000122089639 589553881 /nfs/dbraw/zinc/55/38/81/589553881.db2.gz LWIQRJVCTPHOIV-VIFPVBQESA-N 1 0 209.289 1.641 20 10 BDCDRO C[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988577 589706932 /nfs/dbraw/zinc/70/69/32/589706932.db2.gz TZVQAIOUADXMDP-BDAKNGLRSA-N 1 0 222.288 1.177 20 10 BDCDRO C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1O ZINC000870988542 589706962 /nfs/dbraw/zinc/70/69/62/589706962.db2.gz SCYPGYZZEJNXNI-CABZTGNLSA-N 1 0 248.326 1.697 20 10 BDCDRO CC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000870988217 589707057 /nfs/dbraw/zinc/70/70/57/589707057.db2.gz JCGOGVCBXZYIJT-WPRPVWTQSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1ccccc1O ZINC000870988544 589707080 /nfs/dbraw/zinc/70/70/80/589707080.db2.gz SCYPGYZZEJNXNI-SKDRFNHKSA-N 1 0 248.326 1.697 20 10 BDCDRO C[C@@H](NC(=O)[C@H](C)[C@H](C)[NH3+])c1ccccc1O ZINC000870988340 589707084 /nfs/dbraw/zinc/70/70/84/589707084.db2.gz MTFFTBCUXMCUJH-KXUCPTDWSA-N 1 0 236.315 1.553 20 10 BDCDRO C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1ccccc1O ZINC000870988430 589707182 /nfs/dbraw/zinc/70/71/82/589707182.db2.gz PDNNQAGSIKKXDJ-UWVGGRQHSA-N 1 0 236.315 1.697 20 10 BDCDRO Cc1cc(O)c(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1C ZINC000873218044 589998981 /nfs/dbraw/zinc/99/89/81/589998981.db2.gz XVHILYRMTVNAJT-OKILXGFUSA-N 1 0 246.354 1.945 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCCNC2=O)c1O ZINC000124754122 590081209 /nfs/dbraw/zinc/08/12/09/590081209.db2.gz ITVCXSZOYDKXII-NSHDSACASA-N 1 0 234.299 1.069 20 10 BDCDRO CCN(CCC[NH3+])c1ccc(OC)cc1 ZINC000020239374 590090839 /nfs/dbraw/zinc/09/08/39/590090839.db2.gz IGAJLUGZIGKTFZ-UHFFFAOYSA-N 1 0 208.305 1.870 20 10 BDCDRO C[NH2+]CCCN(C)c1ccc(OC)cc1OC ZINC000125006932 590111820 /nfs/dbraw/zinc/11/18/20/590111820.db2.gz IGHCMDHDSGMWSR-UHFFFAOYSA-N 1 0 238.331 1.750 20 10 BDCDRO CC[NH2+][C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000876504809 590204159 /nfs/dbraw/zinc/20/41/59/590204159.db2.gz XNIXBRUUESVWGB-MRVPVSSYSA-N 1 0 207.277 1.205 20 10 BDCDRO CCC[N@H+](CCO)Cc1c(C)cccc1O ZINC000876537898 590211481 /nfs/dbraw/zinc/21/14/81/590211481.db2.gz HDMKHAUHEARBRS-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876563193 590216442 /nfs/dbraw/zinc/21/64/42/590216442.db2.gz ZWGYGBCJSOXGLP-GFCCVEGCSA-N 1 0 249.310 1.838 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC2(C1)OCCO2 ZINC000876684510 590230567 /nfs/dbraw/zinc/23/05/67/590230567.db2.gz PHNBGHLGMVFNSZ-UHFFFAOYSA-N 1 0 249.310 1.649 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC000876791020 590241192 /nfs/dbraw/zinc/24/11/92/590241192.db2.gz HSMIQHLVJZYACM-CYBMUJFWSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1COCCO1 ZINC000876951207 590260534 /nfs/dbraw/zinc/26/05/34/590260534.db2.gz HBDGDLLRAMSWAD-LLVKDONJSA-N 1 0 237.299 1.206 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCc1cnn(C)c1 ZINC000876954259 590260740 /nfs/dbraw/zinc/26/07/40/590260740.db2.gz JIRAXKUEKUOCNE-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO CNC(=O)CCC[NH2+]Cc1c(C)cccc1O ZINC000876983447 590264574 /nfs/dbraw/zinc/26/45/74/590264574.db2.gz QFWFGEGNUKWUKV-UHFFFAOYSA-N 1 0 236.315 1.316 20 10 BDCDRO CN(C(=O)CCCCC[NH3+])c1ccc(N)cc1 ZINC000877077342 590278984 /nfs/dbraw/zinc/27/89/84/590278984.db2.gz DSIVAWJZFSUURM-UHFFFAOYSA-N 1 0 235.331 1.751 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC[C@@H](C)O ZINC000877089846 590281125 /nfs/dbraw/zinc/28/11/25/590281125.db2.gz QRIYGZXHLFUKDD-SNVBAGLBSA-N 1 0 209.289 1.561 20 10 BDCDRO CC[C@@H](O)CC[NH2+]Cc1c(C)cccc1O ZINC000877110677 590286657 /nfs/dbraw/zinc/28/66/57/590286657.db2.gz CBEWFSCBSKIHJN-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H]2CO)c(O)c1 ZINC000877464001 590332720 /nfs/dbraw/zinc/33/27/20/590332720.db2.gz IETOMNYOXFVPCQ-WCQYABFASA-N 1 0 235.327 1.903 20 10 BDCDRO CC[N@H+](Cc1ccc(C)cc1O)[C@@H]1CCNC1=O ZINC000877499167 590341458 /nfs/dbraw/zinc/34/14/58/590341458.db2.gz LZWBQOKAHWYDSC-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](C)O ZINC000877567834 590361690 /nfs/dbraw/zinc/36/16/90/590361690.db2.gz BUIQKSBWIALVJN-ZYHUDNBSSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c(O)c1 ZINC000877567676 590361751 /nfs/dbraw/zinc/36/17/51/590361751.db2.gz ORZHUYCIAYCUFR-OCCSQVGLSA-N 1 0 246.354 1.837 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(C)(O)C1 ZINC000877580886 590365307 /nfs/dbraw/zinc/36/53/07/590365307.db2.gz JAHYHRMZDQDSGL-UHFFFAOYSA-N 1 0 207.273 1.267 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@@H](CF)C1 ZINC000877588034 590369238 /nfs/dbraw/zinc/36/92/38/590369238.db2.gz VDGGKMYDDRRWPZ-NSHDSACASA-N 1 0 239.290 1.871 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@H](C)CCO)c(O)c1 ZINC000877615532 590374878 /nfs/dbraw/zinc/37/48/78/590374878.db2.gz SOWNAMNWWHHBIZ-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1ccc(C[N@@H+](C)CC2CN(C)C2)c(O)c1 ZINC000877629185 590377898 /nfs/dbraw/zinc/37/78/98/590377898.db2.gz RNDVMDBSUKPMEF-UHFFFAOYSA-N 1 0 234.343 1.694 20 10 BDCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877661130 590387238 /nfs/dbraw/zinc/38/72/38/590387238.db2.gz WCTPUWPMKXTTSH-HAQNSBGRSA-N 1 0 221.300 1.968 20 10 BDCDRO Cc1ccc(C[NH2+]C2(C)COC2)c(O)c1 ZINC000877691714 590392980 /nfs/dbraw/zinc/39/29/80/590392980.db2.gz UEUBSONNHPDOKA-UHFFFAOYSA-N 1 0 207.273 1.579 20 10 BDCDRO CN(Cc1c(O)cccc1Cl)[C@H]1CC[NH2+]C1 ZINC000128327094 590992956 /nfs/dbraw/zinc/99/29/56/590992956.db2.gz YCWWYTYBFFTVFO-VIFPVBQESA-N 1 0 240.734 1.839 20 10 BDCDRO CN(Cc1c(O)cccc1Cl)C1C[NH2+]C1 ZINC000128342432 590999585 /nfs/dbraw/zinc/99/95/85/590999585.db2.gz HPJUFFMCYIMDJO-UHFFFAOYSA-N 1 0 226.707 1.449 20 10 BDCDRO C[C@@H]1CN(Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC000128336814 590999590 /nfs/dbraw/zinc/99/95/90/590999590.db2.gz QDMNEOBDCVAPLN-SECBINFHSA-N 1 0 240.734 1.839 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC=C[C@@H]2CO)cc1 ZINC000880492685 591071926 /nfs/dbraw/zinc/07/19/26/591071926.db2.gz UYVBVYFXGOBPGE-CQSZACIVSA-N 1 0 232.327 1.485 20 10 BDCDRO C[NH2+][C@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000133054425 591761447 /nfs/dbraw/zinc/76/14/47/591761447.db2.gz MQQPAXQVOOYFFT-ZDUSSCGKSA-N 1 0 247.342 1.022 20 10 BDCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC1CC1 ZINC000135718942 592033774 /nfs/dbraw/zinc/03/37/74/592033774.db2.gz WGDJEZFLUWTWHE-NXEZZACHSA-N 1 0 248.326 1.710 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000136401523 592116927 /nfs/dbraw/zinc/11/69/27/592116927.db2.gz OWMKUCAMPTXCLI-SECBINFHSA-N 1 0 235.205 1.405 20 10 BDCDRO C[C@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000136822171 592151548 /nfs/dbraw/zinc/15/15/48/592151548.db2.gz JDVONYTWGVEICU-NWDGAFQWSA-N 1 0 235.327 1.985 20 10 BDCDRO COc1cccc(CNC(=[NH2+])NCC2CC2)c1O ZINC000887352991 592486523 /nfs/dbraw/zinc/48/65/23/592486523.db2.gz XNBSQAXWZFCODN-UHFFFAOYSA-N 1 0 249.314 1.425 20 10 BDCDRO COc1ccc(CNC(=[NH2+])NCC2CC2)c(O)c1 ZINC000887357769 592488690 /nfs/dbraw/zinc/48/86/90/592488690.db2.gz DOGMIBWVIOZBEE-UHFFFAOYSA-N 1 0 249.314 1.425 20 10 BDCDRO CN(C)c1ccc(CNC[C@@H]2CCCC[NH2+]2)cc1 ZINC000234264963 635552246 /nfs/dbraw/zinc/55/22/46/635552246.db2.gz XNOSVTBWTYTYCK-AWEZNQCLSA-N 1 0 247.386 1.984 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1ccnn1C ZINC000235199964 632525302 /nfs/dbraw/zinc/52/53/02/632525302.db2.gz RZWBBFKFJAVMEU-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO CC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179557389 632747281 /nfs/dbraw/zinc/74/72/81/632747281.db2.gz RVAUVWSLKYGJNC-CYBMUJFWSA-N 1 0 248.326 1.493 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1ccc2c(c1)CCO2 ZINC000162155167 633024073 /nfs/dbraw/zinc/02/40/73/633024073.db2.gz BARNLDVEHHJHDL-JTQLQIEISA-N 1 0 220.316 1.319 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1cccc(C)c1O ZINC000162669069 633034702 /nfs/dbraw/zinc/03/47/02/633034702.db2.gz FFFXCDGDOFBEIE-GFCCVEGCSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c1 ZINC000168827671 633149616 /nfs/dbraw/zinc/14/96/16/633149616.db2.gz VBNSXNZJWLOXGX-VHSXEESVSA-N 1 0 236.315 1.615 20 10 BDCDRO OC[C@@H]([NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000309576828 633203343 /nfs/dbraw/zinc/20/33/43/633203343.db2.gz PBPJVHPUGFDNKV-LLVKDONJSA-N 1 0 241.718 1.906 20 10 BDCDRO CC(=O)OC[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000895583163 636163482 /nfs/dbraw/zinc/16/34/82/636163482.db2.gz WIYUZLYPYJFRNZ-JTQLQIEISA-N 1 0 237.299 1.742 20 10 BDCDRO C[NH+](C)CCSc1ncc([N+](=O)[O-])s1 ZINC000192483416 634235838 /nfs/dbraw/zinc/23/58/38/634235838.db2.gz KQPZUSKZQQAALN-UHFFFAOYSA-N 1 0 233.318 1.705 20 10 BDCDRO COc1ccc(N(C)C[C@H](C)[NH3+])cc1F ZINC000258648323 635180511 /nfs/dbraw/zinc/18/05/11/635180511.db2.gz AIKJTILNOSBOTM-QMMMGPOBSA-N 1 0 212.268 1.618 20 10 BDCDRO Oc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000162938085 635204181 /nfs/dbraw/zinc/20/41/81/635204181.db2.gz BEESRBDQLYDCGZ-LLVKDONJSA-N 1 0 206.289 1.234 20 10 BDCDRO c1cc(CN[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000258868730 635216750 /nfs/dbraw/zinc/21/67/50/635216750.db2.gz FYVWNPGPKAQOIN-LBPRGKRZSA-N 1 0 218.300 1.073 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1ccc(N(C)C)c(C)c1 ZINC000931773205 635337170 /nfs/dbraw/zinc/33/71/70/635337170.db2.gz OYNGJEAVNWDJTR-CYBMUJFWSA-N 1 0 236.359 1.922 20 10 BDCDRO CC[S@](=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226609307 635438964 /nfs/dbraw/zinc/43/89/64/635438964.db2.gz ZMBPGEVHABGXQB-INIZCTEOSA-N 1 0 245.319 1.390 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(C)c1O ZINC000322784276 636880418 /nfs/dbraw/zinc/88/04/18/636880418.db2.gz LXMARSLATKRYHX-SNVBAGLBSA-N 1 0 236.315 1.315 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000322833328 636880848 /nfs/dbraw/zinc/88/08/48/636880848.db2.gz ZYQFLTSOYSFXMI-SNVBAGLBSA-N 1 0 248.326 1.236 20 10 BDCDRO C[C@@H]([NH2+]Cc1cc[nH]n1)c1ccccc1O ZINC000041014124 636951315 /nfs/dbraw/zinc/95/13/15/636951315.db2.gz XPRVGRJUPIZNFH-SECBINFHSA-N 1 0 217.272 1.966 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904449339 637414837 /nfs/dbraw/zinc/41/48/37/637414837.db2.gz JFIIDPUFTNVPDR-UHFFFAOYSA-N 1 0 236.315 1.372 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCCON)cc1F ZINC000904457156 637419840 /nfs/dbraw/zinc/41/98/40/637419840.db2.gz PCOUWUCPTRBDFA-UHFFFAOYSA-N 1 0 241.310 1.262 20 10 BDCDRO CN(C)c1ccc(CN[C@H]2CCC[NH2+]C2)cc1 ZINC000043324905 638254588 /nfs/dbraw/zinc/25/45/88/638254588.db2.gz BXCPTGRAJZHBGQ-ZDUSSCGKSA-N 1 0 233.359 1.594 20 10 BDCDRO C[NH+](C)C1(C(=O)NCCc2ccc(N)cc2)CC1 ZINC000911783510 639800604 /nfs/dbraw/zinc/80/06/04/639800604.db2.gz VTLQPMGBESKIAK-UHFFFAOYSA-N 1 0 247.342 1.022 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]CCO)c1O ZINC000038417064 711481429 /nfs/dbraw/zinc/48/14/29/711481429.db2.gz ZQOXRMFLOCGTSQ-QMMMGPOBSA-N 1 0 211.261 1.044 20 10 BDCDRO Oc1ccc(F)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000226580330 640776485 /nfs/dbraw/zinc/77/64/85/640776485.db2.gz ACRVEIXFSMZIJB-QWRGUYRKSA-N 1 0 236.290 1.183 20 10 BDCDRO C[S@@](=O)CCC[NH2+]Cc1cc(F)ccc1O ZINC000226610836 640777961 /nfs/dbraw/zinc/77/79/61/640777961.db2.gz QENBEQZXFQCHPN-MRXNPFEDSA-N 1 0 245.319 1.390 20 10 BDCDRO [NH3+]CC1(C(=O)NCc2ccccc2O)CCCC1 ZINC000228421325 640873700 /nfs/dbraw/zinc/87/37/00/640873700.db2.gz NOWMPEUXMZTIQF-UHFFFAOYSA-N 1 0 248.326 1.528 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CCSC2)c(O)c1 ZINC000230705307 641085259 /nfs/dbraw/zinc/08/52/59/641085259.db2.gz ZKLMXEFEIIJXCA-SNVBAGLBSA-N 1 0 239.340 1.996 20 10 BDCDRO CN(C)c1ccc(CN(C)C(=O)C2([NH3+])CC2)cc1 ZINC000088130354 641317580 /nfs/dbraw/zinc/31/75/80/641317580.db2.gz RZNSQHLRRRRGRE-UHFFFAOYSA-N 1 0 247.342 1.202 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+]CC2(C)C)c1 ZINC000088138426 641318238 /nfs/dbraw/zinc/31/82/38/641318238.db2.gz NJEOFUGCLJCMBI-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1COC[C@H]1C1CC1 ZINC000914433012 641701784 /nfs/dbraw/zinc/70/17/84/641701784.db2.gz IZYFJCKAVVQUOW-STQMWFEESA-N 1 0 233.311 1.907 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CCOC2)cc1C ZINC000075149827 641746028 /nfs/dbraw/zinc/74/60/28/641746028.db2.gz DVKKARGQHXUIIL-LBPRGKRZSA-N 1 0 221.300 1.882 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CCOC2)cc1C ZINC000075149824 641746620 /nfs/dbraw/zinc/74/66/20/641746620.db2.gz DVKKARGQHXUIIL-GFCCVEGCSA-N 1 0 221.300 1.882 20 10 BDCDRO Cn1cc(CCC[NH2+]Cc2ccccc2O)cn1 ZINC000237778246 642744474 /nfs/dbraw/zinc/74/44/74/642744474.db2.gz SPHNROWKDMJCBO-UHFFFAOYSA-N 1 0 245.326 1.848 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCN1C ZINC000922575769 644029517 /nfs/dbraw/zinc/02/95/17/644029517.db2.gz MZJLDRHJSBZTOK-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO Cc1cc(CN(C)[C@H](C)C[NH3+])ccc1N(C)C ZINC000923289047 644324608 /nfs/dbraw/zinc/32/46/08/644324608.db2.gz DISMOLTYOWTDFQ-GFCCVEGCSA-N 1 0 235.375 1.840 20 10 BDCDRO C[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819063330 645003102 /nfs/dbraw/zinc/00/31/02/645003102.db2.gz KQNABMIRZAQJSR-MRVPVSSYSA-N 1 0 232.374 1.596 20 10 BDCDRO CC[NH2+]CC(=O)NCc1ccc(N(C)C)cc1C ZINC000844186849 645317115 /nfs/dbraw/zinc/31/71/15/645317115.db2.gz YCXHRNRIRXDGJH-UHFFFAOYSA-N 1 0 249.358 1.287 20 10 BDCDRO CCn1cc(C[NH2+]Cc2ccc(C)cc2O)nn1 ZINC000877627177 645802091 /nfs/dbraw/zinc/80/20/91/645802091.db2.gz LBXMQOXYQXVWOY-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO C[NH2+]CCNCc1ccc(OC)c(C)c1 ZINC000258852375 711743902 /nfs/dbraw/zinc/74/39/02/711743902.db2.gz XNUWQYHPARQLCG-UHFFFAOYSA-N 1 0 208.305 1.313 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000378739397 712359856 /nfs/dbraw/zinc/35/98/56/712359856.db2.gz OJEMXRBYPCTCCO-MWLCHTKSSA-N 1 0 227.691 1.659 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H]2CCN2C)c1O ZINC000712584557 712434148 /nfs/dbraw/zinc/43/41/48/712434148.db2.gz BNTDMLPIKQZSKJ-NSHDSACASA-N 1 0 236.315 1.195 20 10 BDCDRO COc1cccc(C[NH2+]C[C@H]2CCN2C)c1O ZINC000712584554 712434180 /nfs/dbraw/zinc/43/41/80/712434180.db2.gz BNTDMLPIKQZSKJ-LLVKDONJSA-N 1 0 236.315 1.195 20 10 BDCDRO OC/C=C\C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000717531859 712660748 /nfs/dbraw/zinc/66/07/48/712660748.db2.gz IJADYHRJSWGVKJ-BVBSBALXSA-N 1 0 219.284 1.518 20 10 BDCDRO C[N@H+](CCC[NH3+])Cc1cccc(Cl)c1[O-] ZINC000381723516 710684538 /nfs/dbraw/zinc/68/45/38/710684538.db2.gz MFZMAAMDOJQLSU-UHFFFAOYSA-N 1 0 228.723 1.826 20 10 BDCDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000722272645 710706482 /nfs/dbraw/zinc/70/64/82/710706482.db2.gz NSHCCGJQWLGJPK-SMDDNHRTSA-N 1 0 246.354 1.661 20 10 BDCDRO COC[C@](C)(O)C[NH2+][C@H](C)c1ccccc1O ZINC000382548969 710973856 /nfs/dbraw/zinc/97/38/56/710973856.db2.gz GWHJOWAVEJKDJA-ZWNOBZJWSA-N 1 0 239.315 1.440 20 10 BDCDRO CCN1C[C@H]([NH2+][C@H](C)c2ccccc2O)CC1=O ZINC000391595226 711138691 /nfs/dbraw/zinc/13/86/91/711138691.db2.gz HINVPNHIUZEKSQ-GHMZBOCLSA-N 1 0 248.326 1.664 20 10 BDCDRO CCN1C[C@@H]([NH2+][C@H](C)c2ccccc2O)CC1=O ZINC000391595232 711138794 /nfs/dbraw/zinc/13/87/94/711138794.db2.gz HINVPNHIUZEKSQ-MNOVXSKESA-N 1 0 248.326 1.664 20 10 BDCDRO Cc1nnc([C@H](C)[NH2+]Cc2cc(C)ccc2O)[nH]1 ZINC000392370905 711144696 /nfs/dbraw/zinc/14/46/96/711144696.db2.gz LGKSHBYDPJSUPE-VIFPVBQESA-N 1 0 246.314 1.978 20 10 BDCDRO Cc1nnc([C@H](C)[NH2+]Cc2cccc(C)c2O)[nH]1 ZINC000392361925 711144793 /nfs/dbraw/zinc/14/47/93/711144793.db2.gz CCYCOCHYUAFRDC-VIFPVBQESA-N 1 0 246.314 1.978 20 10 BDCDRO C[N@H+](CC[S@@](C)=O)Cc1ccccc1O ZINC000399973705 711437342 /nfs/dbraw/zinc/43/73/42/711437342.db2.gz SGLPSOHTBPDXKU-OAHLLOKOSA-N 1 0 227.329 1.203 20 10 BDCDRO C[N@@H+]1CCC[C@H](NC(=O)Cc2ccc(N)cc2)C1 ZINC000040671550 711483194 /nfs/dbraw/zinc/48/31/94/711483194.db2.gz DGDKNNRCKAKOPE-ZDUSSCGKSA-N 1 0 247.342 1.022 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccccc2O)CCN1C ZINC000090721237 711503202 /nfs/dbraw/zinc/50/32/02/711503202.db2.gz ULPUYZMYDUJNPC-DGCLKSJQSA-N 1 0 234.343 1.965 20 10 BDCDRO CCOC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000382449045 711505041 /nfs/dbraw/zinc/50/50/41/711505041.db2.gz HPNOKGNRLCONMW-QWRGUYRKSA-N 1 0 239.315 1.440 20 10 BDCDRO OC1CC2(C[C@@H]2[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000724925614 711628964 /nfs/dbraw/zinc/62/89/64/711628964.db2.gz LVWTULBGSREFON-BLZCZZARSA-N 1 0 245.322 1.625 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1O ZINC000700654382 712002086 /nfs/dbraw/zinc/00/20/86/712002086.db2.gz RLXHPQGFYKVQKE-RYUDHWBXSA-N 1 0 248.326 1.397 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCOCCF ZINC000702637559 712057917 /nfs/dbraw/zinc/05/79/17/712057917.db2.gz GHZHCSUMMSJBCC-UHFFFAOYSA-N 1 0 231.242 1.607 20 10 BDCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710894176 712261885 /nfs/dbraw/zinc/26/18/85/712261885.db2.gz UBGSNECJFNWOOJ-ZWNOBZJWSA-N 1 0 233.311 1.746 20 10 BDCDRO C[C@H]1[NH2+]CCN(Cc2ccc(N(C)C)cc2)[C@H]1C ZINC000379472684 712385716 /nfs/dbraw/zinc/38/57/16/712385716.db2.gz SYFZBMOIWSHATP-OLZOCXBDSA-N 1 0 247.386 1.935 20 10 BDCDRO CN1CC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000712583052 712434059 /nfs/dbraw/zinc/43/40/59/712434059.db2.gz SQAHKYJJVNQPTB-ZDUSSCGKSA-N 1 0 232.327 1.415 20 10 BDCDRO C[C@H]([NH3+])CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801174 712758825 /nfs/dbraw/zinc/75/88/25/712758825.db2.gz XDPNLXRBDXNTCW-NSHDSACASA-N 1 0 249.358 1.448 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCSC ZINC000380243948 712843236 /nfs/dbraw/zinc/84/32/36/712843236.db2.gz NTZPWDJASIRCSJ-UHFFFAOYSA-N 1 0 227.329 1.853 20 10 BDCDRO CC1(C)CN(Cc2ccccc2O)C[C@@H]1[NH3+] ZINC000720745510 712863022 /nfs/dbraw/zinc/86/30/22/712863022.db2.gz CFHPTRZHOGIRSW-LBPRGKRZSA-N 1 0 220.316 1.561 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[C@H](O)C1)CC2 ZINC000720935796 712880149 /nfs/dbraw/zinc/88/01/49/712880149.db2.gz IMZKOUDRTPHHKO-YUSALJHKSA-N 1 0 233.311 1.740 20 10 BDCDRO CC[N@H+](Cc1cc(C)ccc1O)C1CN(C)C1 ZINC001140623818 960465742 /nfs/dbraw/zinc/46/57/42/960465742.db2.gz SVVUPSDZYQQAON-UHFFFAOYSA-N 1 0 234.343 1.837 20 10 BDCDRO CC[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001251780593 968325061 /nfs/dbraw/zinc/32/50/61/968325061.db2.gz QXEZHTMRPKKVBD-LLVKDONJSA-N 1 0 221.300 1.521 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCCN1Cc1ccc(N)cc1 ZINC001236418399 979590956 /nfs/dbraw/zinc/59/09/56/979590956.db2.gz HIUANSAPKQHXJR-ZWNOBZJWSA-N 1 0 219.332 1.580 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CO[C@H](C)C1 ZINC000877607924 983955485 /nfs/dbraw/zinc/95/54/85/983955485.db2.gz OBFIIFDQGUOLJU-GHMZBOCLSA-N 1 0 221.300 1.968 20 10 BDCDRO C[C@H]1CC[C@@H](CO)C[N@@H+]1Cc1ccccc1O ZINC000305748068 970785879 /nfs/dbraw/zinc/78/58/79/970785879.db2.gz UKYKTTQYKFSUHN-NWDGAFQWSA-N 1 0 235.327 1.985 20 10 BDCDRO Nc1ccc(CO[C@H]2C[NH2+]CCC23CC3)cc1 ZINC001217913303 971514124 /nfs/dbraw/zinc/51/41/24/971514124.db2.gz LLVYXVFYEXULJZ-ZDUSSCGKSA-N 1 0 232.327 1.928 20 10 BDCDRO Nc1ccc(CO[C@@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001217924640 971530504 /nfs/dbraw/zinc/53/05/04/971530504.db2.gz JVQHLRDXHQPHSW-RAIGVLPGSA-N 1 0 218.300 1.536 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H](O)C1CCC1 ZINC000315809645 972249293 /nfs/dbraw/zinc/24/92/93/972249293.db2.gz XKCWAUGVBWXAIB-CYBMUJFWSA-N 1 0 239.290 1.782 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC3(COC3)C2)c1 ZINC001140617669 960461394 /nfs/dbraw/zinc/46/13/94/960461394.db2.gz VULDPENSVJCDDZ-UHFFFAOYSA-N 1 0 219.284 1.533 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCOC3(CC3)C2)c1O ZINC001140749965 960549788 /nfs/dbraw/zinc/54/97/88/960549788.db2.gz QERJBRZAKLKZEC-UHFFFAOYSA-N 1 0 249.310 1.771 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001140950831 960753614 /nfs/dbraw/zinc/75/36/14/960753614.db2.gz KDOOCKQETWVRIG-GXTWGEPZSA-N 1 0 233.311 1.921 20 10 BDCDRO Cc1ccc(CN2CC(C)([NH+](C)C)C2)c(O)c1 ZINC001140951112 960758163 /nfs/dbraw/zinc/75/81/63/960758163.db2.gz ZGMRKBRPCDUXEQ-UHFFFAOYSA-N 1 0 234.343 1.837 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CC3(C2)CCCOC3)c1 ZINC001141156110 960889768 /nfs/dbraw/zinc/88/97/68/960889768.db2.gz FUZZQNKVNAPDFS-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO CCC[N@H+](CCOC)Cc1cc(O)ccc1O ZINC001141155819 960889945 /nfs/dbraw/zinc/88/99/45/960889945.db2.gz KSOSNBBDIAIBHI-UHFFFAOYSA-N 1 0 239.315 1.956 20 10 BDCDRO COC[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156672 960890162 /nfs/dbraw/zinc/89/01/62/960890162.db2.gz QDZBXDRGXXYWJQ-NSHDSACASA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CC(C3COC3)C2)c1 ZINC001141155741 960891674 /nfs/dbraw/zinc/89/16/74/960891674.db2.gz IGEMIADDOHWOAF-UHFFFAOYSA-N 1 0 235.283 1.176 20 10 BDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141160235 960896110 /nfs/dbraw/zinc/89/61/10/960896110.db2.gz UQAUYHAWVKQWAL-CYBMUJFWSA-N 1 0 237.299 1.445 20 10 BDCDRO C[N@H+]1C[C@H]2CN(Cc3cc(O)ccc3O)C[C@H]2C1 ZINC001141160946 960896886 /nfs/dbraw/zinc/89/68/86/960896886.db2.gz KJLVISAZULOPIO-TXEJJXNPSA-N 1 0 248.326 1.091 20 10 BDCDRO Oc1ccc(O)c(CN2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC001141158792 960897373 /nfs/dbraw/zinc/89/73/73/960897373.db2.gz NLTNHMGSLNMSQT-LBPRGKRZSA-N 1 0 248.326 1.378 20 10 BDCDRO Cc1ccc(CN2CC(C)([NH3+])C2)c(O)c1 ZINC001204979479 963293810 /nfs/dbraw/zinc/29/38/10/963293810.db2.gz BRSPZBVIZYRSTE-UHFFFAOYSA-N 1 0 206.289 1.234 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CCOCC2)c1O ZINC000039222716 963531828 /nfs/dbraw/zinc/53/18/28/963531828.db2.gz DKVCNWZRMLVALR-UHFFFAOYSA-N 1 0 221.300 1.841 20 10 BDCDRO CNc1ccccc1N[C@@H]1C[NH2+][C@@H]2COC[C@H]12 ZINC001163147261 965267591 /nfs/dbraw/zinc/26/75/91/965267591.db2.gz LGWWDHSTMNCNNG-OASPWFOLSA-N 1 0 233.315 1.127 20 10 BDCDRO C[N@H+](Cc1ccc(N)cc1)C1CC(O)C1 ZINC001120370813 965281714 /nfs/dbraw/zinc/28/17/14/965281714.db2.gz FVPNHWRSOFKHNK-UHFFFAOYSA-N 1 0 206.289 1.224 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc3c(c2)NCCO3)C1 ZINC001164281341 965826804 /nfs/dbraw/zinc/82/68/04/965826804.db2.gz ZPSLNJGXFHXJEQ-VIFPVBQESA-N 1 0 219.288 1.028 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2COC[C@@H]2C)c1O ZINC000699792029 966096876 /nfs/dbraw/zinc/09/68/76/966096876.db2.gz VBQQRQYFFYCYBY-GXSJLCMTSA-N 1 0 237.299 1.525 20 10 BDCDRO C[C@@H]1CC[C@H]([NH3+])CN1Cc1ccc(N)cc1 ZINC001235906321 966151940 /nfs/dbraw/zinc/15/19/40/966151940.db2.gz NWYDWBIKZWRUBY-MFKMUULPSA-N 1 0 219.332 1.580 20 10 BDCDRO COc1cc(N(C)C)ccc1CN1CC[C@@H]([NH3+])C1 ZINC001236172304 966287848 /nfs/dbraw/zinc/28/78/48/966287848.db2.gz GYCQYULFSFTALP-GFCCVEGCSA-N 1 0 249.358 1.294 20 10 BDCDRO CN(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC001236283421 966331406 /nfs/dbraw/zinc/33/14/06/966331406.db2.gz GXCQIWQEZXWQEI-JSGCOSHPSA-N 1 0 231.343 1.156 20 10 BDCDRO COc1cc(C)c(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236285517 966338000 /nfs/dbraw/zinc/33/80/00/966338000.db2.gz BGSZRWNFCFGJJA-GXFFZTMASA-N 1 0 248.326 1.113 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001203550177 966670679 /nfs/dbraw/zinc/67/06/79/966670679.db2.gz KKYUKIYQHCOWJI-CMPLNLGQSA-N 1 0 225.263 1.297 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCC[C@@H]1O ZINC001203550507 966682419 /nfs/dbraw/zinc/68/24/19/966682419.db2.gz WPMMWANXWFXZHM-AAEUAGOBSA-N 1 0 235.327 1.985 20 10 BDCDRO CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203560635 966686600 /nfs/dbraw/zinc/68/66/00/966686600.db2.gz DUXIQCDTPYSOIO-ZDUSSCGKSA-N 1 0 248.326 1.445 20 10 BDCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1ccccc1O ZINC001203555643 966687931 /nfs/dbraw/zinc/68/79/31/966687931.db2.gz BAJYOUNHMYYOHO-CMPLNLGQSA-N 1 0 221.300 1.737 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCN2CC[C@H]2C1 ZINC001203563315 966688402 /nfs/dbraw/zinc/68/84/02/966688402.db2.gz YTABCKMDFNJJJP-LBPRGKRZSA-N 1 0 218.300 1.282 20 10 BDCDRO Oc1ccccc1CN1CCC12COC2 ZINC001203556492 966688779 /nfs/dbraw/zinc/68/87/79/966688779.db2.gz QNJAIHKPWCDQMP-UHFFFAOYSA-N 1 0 205.257 1.367 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CC3(COC3)C2)c1 ZINC001203665813 966734928 /nfs/dbraw/zinc/73/49/28/966734928.db2.gz WEPQTRGCOMSCIJ-UHFFFAOYSA-N 1 0 235.283 1.233 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1ccc(O)c(O)c1 ZINC001203881920 966809062 /nfs/dbraw/zinc/80/90/62/966809062.db2.gz YEIIHIGBNBUJRZ-UHFFFAOYSA-N 1 0 239.271 1.093 20 10 BDCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCCOC1 ZINC001203883351 966810132 /nfs/dbraw/zinc/81/01/32/966810132.db2.gz ITAZVBBHQJMKIB-LLVKDONJSA-N 1 0 237.299 1.709 20 10 BDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC001203929328 966823597 /nfs/dbraw/zinc/82/35/97/966823597.db2.gz ALEMTLJIHXFVRH-WFASDCNBSA-N 1 0 248.370 1.955 20 10 BDCDRO CN(C)c1ccc(CN2CC3(C2)C[NH+](C)C3)cc1 ZINC001203935329 966824942 /nfs/dbraw/zinc/82/49/42/966824942.db2.gz DVMJVFOWDXQFIC-UHFFFAOYSA-N 1 0 245.370 1.500 20 10 BDCDRO COC(=O)C1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC001203930624 966826040 /nfs/dbraw/zinc/82/60/40/966826040.db2.gz AZXZVZCRIXLYQF-UHFFFAOYSA-N 1 0 248.326 1.357 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001204272009 966949973 /nfs/dbraw/zinc/94/99/73/966949973.db2.gz GQAZKYLDDPTKAV-JQWIXIFHSA-N 1 0 241.262 1.003 20 10 BDCDRO CCC[N@H+](CCOC)Cc1ccc(O)cc1O ZINC001204272037 966953206 /nfs/dbraw/zinc/95/32/06/966953206.db2.gz IFMAOXVTLKDUAC-UHFFFAOYSA-N 1 0 239.315 1.956 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCCOCC2)c(O)c1 ZINC001204272456 966954205 /nfs/dbraw/zinc/95/42/05/966954205.db2.gz OEGBCKIPFZFGJR-UHFFFAOYSA-N 1 0 223.272 1.320 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204276095 966954291 /nfs/dbraw/zinc/95/42/91/966954291.db2.gz GLLFPMKIAKDNBR-BXKDBHETSA-N 1 0 237.299 1.301 20 10 BDCDRO COCC[N@H+](C)Cc1ccc(O)cc1O ZINC001204273006 966955392 /nfs/dbraw/zinc/95/53/92/966955392.db2.gz WBYZCOVQTGIMDZ-UHFFFAOYSA-N 1 0 211.261 1.176 20 10 BDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204277224 966959353 /nfs/dbraw/zinc/95/93/53/966959353.db2.gz WTKUUFNAVSHNKK-BXKDBHETSA-N 1 0 237.299 1.443 20 10 BDCDRO OC[C@@]1(F)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276576 966960878 /nfs/dbraw/zinc/96/08/78/966960878.db2.gz NKZOWWANUSOOBJ-GFCCVEGCSA-N 1 0 241.262 1.004 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)c(O)c1 ZINC001204277014 966961658 /nfs/dbraw/zinc/96/16/58/966961658.db2.gz VYTRHIIBDQWISR-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO CC[N@H+](Cc1ccccc1O)C1COC1 ZINC001203557138 966975719 /nfs/dbraw/zinc/97/57/19/966975719.db2.gz ZTOGHDZMFALYGT-UHFFFAOYSA-N 1 0 207.273 1.613 20 10 BDCDRO Cc1nc[nH]c1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001204591794 967092290 /nfs/dbraw/zinc/09/22/90/967092290.db2.gz INVGCQJSMCRJJS-UHFFFAOYSA-N 1 0 243.310 1.982 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2c(O)ccc(F)c2F)C1 ZINC001204801173 967177243 /nfs/dbraw/zinc/17/72/43/967177243.db2.gz KSKWDZRCXMCSFK-LBPRGKRZSA-N 1 0 242.269 1.594 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@H]([NH3+])C[C@@H](F)C1 ZINC001206445720 968310044 /nfs/dbraw/zinc/31/00/44/968310044.db2.gz QCZMEWKDNRAWGF-GHMZBOCLSA-N 1 0 238.306 1.572 20 10 BDCDRO CC1(C)C[C@@H](O)C[N@H+](Cc2ccc(N)cc2)C1 ZINC001120268486 968547810 /nfs/dbraw/zinc/54/78/10/968547810.db2.gz FZJVYYFZLULJPX-CYBMUJFWSA-N 1 0 234.343 1.862 20 10 BDCDRO Oc1cccc2c1CN(Cc1ccon1)CC2 ZINC001209567374 969549356 /nfs/dbraw/zinc/54/93/56/969549356.db2.gz HSPBASDGKBQNRS-UHFFFAOYSA-N 1 0 230.267 1.939 20 10 BDCDRO CC(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC001169573057 969769602 /nfs/dbraw/zinc/76/96/02/969769602.db2.gz AQSBOSPXLKETDP-CYBMUJFWSA-N 1 0 248.326 1.493 20 10 BDCDRO O=c1cc(C2=CC[NH2+]C2)ccn1CC1CC1 ZINC001243111851 970357235 /nfs/dbraw/zinc/35/72/35/970357235.db2.gz QAMCLVHGBUUAGK-UHFFFAOYSA-N 1 0 216.284 1.245 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)c(O)c1 ZINC000402008145 970754411 /nfs/dbraw/zinc/75/44/11/970754411.db2.gz AHVRCDDEPMPJDJ-KOLCDFICSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@@H](O)[C@@H](C)[NH2+]CCCSc1nccs1 ZINC001327976845 972839865 /nfs/dbraw/zinc/83/98/65/972839865.db2.gz AOTJTOWCOATBFE-RKDXNWHRSA-N 1 0 246.401 1.984 20 10 BDCDRO C[N@@H+](Cc1c(O)cc(O)cc1O)CC1CC1 ZINC001144500583 972848577 /nfs/dbraw/zinc/84/85/77/972848577.db2.gz VPVDQVMWQHWPTG-UHFFFAOYSA-N 1 0 223.272 1.645 20 10 BDCDRO C[N@H+](CCF)Cc1c(O)cc(O)cc1O ZINC001144520592 972855144 /nfs/dbraw/zinc/85/51/44/972855144.db2.gz VNOKTIVLMMQPOQ-UHFFFAOYSA-N 1 0 215.224 1.205 20 10 BDCDRO CCN1CC[C@H]([NH2+]Cc2ccccc2O)CC1=O ZINC001172023125 974281980 /nfs/dbraw/zinc/28/19/80/974281980.db2.gz LHVQWYHJMOYZIN-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO COC(=O)c1ccc(Nc2cc[nH+]cc2)c(O)c1 ZINC001173883887 975955185 /nfs/dbraw/zinc/95/51/85/975955185.db2.gz ZBMXRCMLCCFMPJ-UHFFFAOYSA-N 1 0 244.250 1.739 20 10 BDCDRO NC(=O)c1ccc(Nc2cc[nH+]cc2)c(O)c1 ZINC001173885333 975979884 /nfs/dbraw/zinc/97/98/84/975979884.db2.gz UKWOVGOEWYCTRG-UHFFFAOYSA-N 1 0 229.239 1.052 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1NCc1ccc(N)cc1 ZINC001334754612 976625326 /nfs/dbraw/zinc/62/53/26/976625326.db2.gz PQTHAUUKGWMFEQ-GFCCVEGCSA-N 1 0 219.332 1.356 20 10 BDCDRO C[C@H]1[NH2+]CCN(Cc2ccc(N)cc2)[C@H]1C ZINC001334773974 976636136 /nfs/dbraw/zinc/63/61/36/976636136.db2.gz BVUPSTIZVQALEL-MNOVXSKESA-N 1 0 219.332 1.451 20 10 BDCDRO Nc1ccc(C[NH2+]C[C@@H]2C[C@H](F)CN2)cc1 ZINC001335288901 976927377 /nfs/dbraw/zinc/92/73/77/976927377.db2.gz JORANYNLHUKDDB-JQWIXIFHSA-N 1 0 223.295 1.058 20 10 BDCDRO Nc1ccc(CNC[C@H]2CCC[NH2+]2)cc1 ZINC001335287763 976930793 /nfs/dbraw/zinc/93/07/93/976930793.db2.gz AXLXCSKYBFUZCJ-GFCCVEGCSA-N 1 0 205.305 1.110 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N)cc2)[C@@H]1C ZINC001335290429 976932226 /nfs/dbraw/zinc/93/22/26/976932226.db2.gz WJWKAZAPSZOMAY-MFKMUULPSA-N 1 0 248.326 1.652 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1O ZINC001231591085 977639939 /nfs/dbraw/zinc/63/99/39/977639939.db2.gz SBDYANQFKBHWPZ-NWDGAFQWSA-N 1 0 239.290 1.605 20 10 BDCDRO CCC[N@H+](C)Cc1cc(OC)c(O)cc1O ZINC001231633984 977654909 /nfs/dbraw/zinc/65/49/09/977654909.db2.gz FGKWBDSCIWEXQS-UHFFFAOYSA-N 1 0 225.288 1.948 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(C(N)=O)C2)c(O)c1 ZINC001277567968 977748892 /nfs/dbraw/zinc/74/88/92/977748892.db2.gz JHLYZPBNDVENFJ-BXUZGUMPSA-N 1 0 246.310 1.008 20 10 BDCDRO COC1C[NH+](Cc2c(C)cc(C)cc2O)C1 ZINC001231841892 977759927 /nfs/dbraw/zinc/75/99/27/977759927.db2.gz FWYFNFDBLJFXSH-UHFFFAOYSA-N 1 0 221.300 1.840 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC001231843409 977761106 /nfs/dbraw/zinc/76/11/06/977761106.db2.gz YIKVRRFLJPQMFH-LBPRGKRZSA-N 1 0 235.327 1.966 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001232835217 978303710 /nfs/dbraw/zinc/30/37/10/978303710.db2.gz ZQNGRGYYATUBFX-UHFFFAOYSA-N 1 0 248.326 1.290 20 10 BDCDRO CC(C)[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233010359 978409135 /nfs/dbraw/zinc/40/91/35/978409135.db2.gz PVAOJNMURPCBNH-UHFFFAOYSA-N 1 0 211.261 1.644 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1cc(O)c(O)cc1O ZINC001233487883 978611123 /nfs/dbraw/zinc/61/11/23/978611123.db2.gz VKJROYZWZMXOAU-SECBINFHSA-N 1 0 239.271 1.024 20 10 BDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cc(F)ccc2O)C1 ZINC001206424682 978913443 /nfs/dbraw/zinc/91/34/43/978913443.db2.gz RPCBHZSMJAWIKC-QWRGUYRKSA-N 1 0 242.269 1.402 20 10 BDCDRO Oc1ccccc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235039962 978959120 /nfs/dbraw/zinc/95/91/20/978959120.db2.gz ZIOOQWFTPXZWDQ-NWDGAFQWSA-N 1 0 218.300 1.328 20 10 BDCDRO Nc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235079929 978970771 /nfs/dbraw/zinc/97/07/71/978970771.db2.gz RTJOMRMTCZFVDU-CHWSQXEVSA-N 1 0 217.316 1.205 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@@H]1CCC[NH2+]C1 ZINC001235348754 979032249 /nfs/dbraw/zinc/03/22/49/979032249.db2.gz YWDCSHRJTFIDMA-CYBMUJFWSA-N 1 0 219.332 1.453 20 10 BDCDRO CN(C(=O)C[C@@H]([NH3+])C(C)(C)C)c1ccc(N)cc1 ZINC001340845913 979128662 /nfs/dbraw/zinc/12/86/62/979128662.db2.gz AZDOZAVCNRYUGI-GFCCVEGCSA-N 1 0 249.358 1.995 20 10 BDCDRO CC(C)[NH2+]CC(=O)NCc1c(O)cccc1F ZINC001341125790 979246900 /nfs/dbraw/zinc/24/69/00/979246900.db2.gz WMDWVVOSTOTBDZ-UHFFFAOYSA-N 1 0 240.278 1.146 20 10 BDCDRO CCN(Cc1ccc(N)cc1)[C@H]1CCC[NH2+]C1 ZINC001236008906 979297679 /nfs/dbraw/zinc/29/76/79/979297679.db2.gz JSCKMNIDNIMMRO-AWEZNQCLSA-N 1 0 233.359 1.843 20 10 BDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(F)ccc1O)C2 ZINC001236022311 979315448 /nfs/dbraw/zinc/31/54/48/979315448.db2.gz CZODEMXFSBRHPH-CABZTGNLSA-N 1 0 222.263 1.064 20 10 BDCDRO Cc1cc(C)c(CN2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172669 979429537 /nfs/dbraw/zinc/42/95/37/979429537.db2.gz JHWTYTVVXQNGRT-NSHDSACASA-N 1 0 220.316 1.542 20 10 BDCDRO CN1CCCc2cc(C[N@H+](C)CCO)ccc21 ZINC001236254162 979472568 /nfs/dbraw/zinc/47/25/68/979472568.db2.gz QFOYSVHLTINWOZ-UHFFFAOYSA-N 1 0 234.343 1.493 20 10 BDCDRO C[N@H+](CCO)Cc1cc(Cl)c(O)cc1O ZINC001236255230 979479361 /nfs/dbraw/zinc/47/93/61/979479361.db2.gz ATKIZBOOXOPUAF-UHFFFAOYSA-N 1 0 231.679 1.175 20 10 BDCDRO Cc1ccc(C)c(CN2C[C@H]3C[NH2+]C[C@H]32)c1O ZINC001236288383 979493388 /nfs/dbraw/zinc/49/33/88/979493388.db2.gz NXBNZWZITGXNQR-DGCLKSJQSA-N 1 0 232.327 1.413 20 10 BDCDRO C[C@@]1(C(=O)NCc2ccc(N)cc2)CCC[NH2+]C1 ZINC001341923231 979593779 /nfs/dbraw/zinc/59/37/79/979593779.db2.gz JQPRBQQVSMJYDX-CQSZACIVSA-N 1 0 247.342 1.275 20 10 BDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(N)cc1 ZINC001341923093 979593870 /nfs/dbraw/zinc/59/38/70/979593870.db2.gz IUDJKHBCCGCDNX-SECBINFHSA-N 1 0 233.315 1.026 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001341924575 979595057 /nfs/dbraw/zinc/59/50/57/979595057.db2.gz YBDASGQLHPEJGN-OLZOCXBDSA-N 1 0 247.342 1.403 20 10 BDCDRO C[NH+](C)CC1(C(=O)NCc2ccc(N)cc2)CC1 ZINC001341924565 979595965 /nfs/dbraw/zinc/59/59/65/979595965.db2.gz XQVOLGAZQFSWBX-UHFFFAOYSA-N 1 0 247.342 1.227 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(C(=O)[O-])ccc1O ZINC001604260758 979603489 /nfs/dbraw/zinc/60/34/89/979603489.db2.gz YRZSNSJWUZYLEF-JGVFFNPUSA-N 1 0 238.287 1.088 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@H]1CO2 ZINC001237487382 979917897 /nfs/dbraw/zinc/91/78/97/979917897.db2.gz IIEOXOHOVPPGJP-QWRGUYRKSA-N 1 0 219.284 1.674 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC2(CN(C)C2)C1 ZINC001237495330 979919331 /nfs/dbraw/zinc/91/93/31/979919331.db2.gz PPZZRYRNNNZMAO-UHFFFAOYSA-N 1 0 232.327 1.448 20 10 BDCDRO COc1ccc(CN2CC[N@@H+]3CC[C@@H]3C2)c(O)c1 ZINC001203635322 980351904 /nfs/dbraw/zinc/35/19/04/980351904.db2.gz PPXGFDXSPZOEMT-GFCCVEGCSA-N 1 0 248.326 1.291 20 10 BDCDRO C[C@@H]([NH2+]CC1=NOCC1)c1ccccc1O ZINC001197004452 982507701 /nfs/dbraw/zinc/50/77/01/982507701.db2.gz SCDYXUPGVVUKIZ-SECBINFHSA-N 1 0 220.272 1.819 20 10 BDCDRO CCN(CC[NH+](C)C)Cc1ccc(O)c(O)c1 ZINC001203873982 982543674 /nfs/dbraw/zinc/54/36/74/982543674.db2.gz KCSQLSVYYDTCLZ-UHFFFAOYSA-N 1 0 238.331 1.481 20 10 BDCDRO C[N@@H+](Cc1ccc(O)c(O)c1)CC1COC1 ZINC001203882698 982585317 /nfs/dbraw/zinc/58/53/17/982585317.db2.gz RCOSCDJKGRADKF-UHFFFAOYSA-N 1 0 223.272 1.176 20 10 BDCDRO CN1CC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(O)cc1O ZINC001275950059 984745041 /nfs/dbraw/zinc/74/50/41/984745041.db2.gz OILXKMUCWCGQGN-STQMWFEESA-N 1 0 248.326 1.376 20 10 BDCDRO CN(C)c1ccc(CNC(=O)C[NH2+]C2CC2)cc1 ZINC000040419354 985137414 /nfs/dbraw/zinc/13/74/14/985137414.db2.gz PJUQBSPENQGAQN-UHFFFAOYSA-N 1 0 247.342 1.121 20 10 BDCDRO C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000688042878 985510672 /nfs/dbraw/zinc/51/06/72/985510672.db2.gz JNTYCMZLUBDGFK-SMDDNHRTSA-N 1 0 234.343 1.877 20 10 BDCDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001462248664 986323358 /nfs/dbraw/zinc/32/33/58/986323358.db2.gz KACWMQZYYDWHRY-KWQFWETISA-N 1 0 225.263 1.486 20 10 BDCDRO Nc1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)cc1 ZINC001580445514 986854074 /nfs/dbraw/zinc/85/40/74/986854074.db2.gz HLSBGMYJUGHOEG-GFCCVEGCSA-N 1 0 233.315 1.027 20 10 BDCDRO COC[C@H](C)[N@@H+]1CCc2cccc(O)c2C1 ZINC001255582143 987030976 /nfs/dbraw/zinc/03/09/76/987030976.db2.gz RRAUSYLEJGIUSA-JTQLQIEISA-N 1 0 221.300 1.785 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2ccc(O)cc2O)C[NH2+]1 ZINC001246239589 987639033 /nfs/dbraw/zinc/63/90/33/987639033.db2.gz KEMZZSIDPVQTKE-MWLCHTKSSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2ccc(O)cc2O)C[NH2+]1 ZINC001246239583 987639048 /nfs/dbraw/zinc/63/90/48/987639048.db2.gz KEMZZSIDPVQTKE-GXSJLCMTSA-N 1 0 236.315 1.328 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)c(O)c1 ZINC001474655066 987793464 /nfs/dbraw/zinc/79/34/64/987793464.db2.gz FKEGYFYSZZKYBS-RYUDHWBXSA-N 1 0 247.294 1.305 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@@H]3[C@H](O)CC[C@@H]3C2)c(O)c1 ZINC001474708109 987804457 /nfs/dbraw/zinc/80/44/57/987804457.db2.gz BNUHBMHTIXSZJB-KWCYVHTRSA-N 1 0 247.338 1.903 20 10 BDCDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001474716728 987808715 /nfs/dbraw/zinc/80/87/15/987808715.db2.gz BTGIABOECPIKJK-LLVKDONJSA-N 1 0 240.734 1.839 20 10 BDCDRO COC(=O)Cc1ccc(C[NH+]2CC=CC2)c(O)c1 ZINC001249172224 989263880 /nfs/dbraw/zinc/26/38/80/989263880.db2.gz JTBRZXUTSJKELI-UHFFFAOYSA-N 1 0 247.294 1.480 20 10 BDCDRO C[C@@H]1CCCN(Cc2ccc(N)cc2)[C@@H]1C[NH3+] ZINC001120263964 989622381 /nfs/dbraw/zinc/62/23/81/989622381.db2.gz YGYDIFMYWQDIHU-BXUZGUMPSA-N 1 0 233.359 1.828 20 10 BDCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@H]1CNOC1 ZINC001120372016 989646937 /nfs/dbraw/zinc/64/69/37/989646937.db2.gz XOBQCMBZARNCKV-ZDUSSCGKSA-N 1 0 247.342 1.280 20 10 BDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(N)cc2)C1 ZINC001524009765 989966386 /nfs/dbraw/zinc/96/63/86/989966386.db2.gz VPHOAAYPBXYNAP-MFKMUULPSA-N 1 0 247.342 1.273 20 10 BDCDRO Cc1cc(CN2CC(C)(C[NH3+])C2)ccc1N(C)C ZINC001206724010 990948696 /nfs/dbraw/zinc/94/86/96/990948696.db2.gz ZBZJNRXJYJQJHZ-UHFFFAOYSA-N 1 0 247.386 1.842 20 10 BDCDRO c1cc(N2CCOCC2)ccc1C[NH+]1CCC1 ZINC001138495130 990964445 /nfs/dbraw/zinc/96/44/45/990964445.db2.gz SJYISLZSCHZBRO-UHFFFAOYSA-N 1 0 232.327 1.729 20 10 BDCDRO C[N@@H+](Cc1cc(F)ccc1O)CC1COC1 ZINC001140055382 991506044 /nfs/dbraw/zinc/50/60/44/991506044.db2.gz UGQKFUMLMXVDFC-UHFFFAOYSA-N 1 0 225.263 1.610 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001140057210 991510662 /nfs/dbraw/zinc/51/06/62/991510662.db2.gz CYYAJDICLZMSDH-GFCCVEGCSA-N 1 0 239.290 1.878 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2C(N)=O)c1O ZINC001140181027 991552981 /nfs/dbraw/zinc/55/29/81/991552981.db2.gz UBARELDDYIKNIN-LBPRGKRZSA-N 1 0 248.326 1.459 20 10 BDCDRO COc1cc(C)c(C[N@H+](C)C[C@H](C)O)c(O)c1 ZINC001560746466 991585827 /nfs/dbraw/zinc/58/58/27/991585827.db2.gz AGNGFQOEHCLIFN-JTQLQIEISA-N 1 0 239.315 1.522 20 10 BDCDRO CON(C)CC[NH2+]Cc1cc(F)ccc1O ZINC001560989755 991679475 /nfs/dbraw/zinc/67/94/75/991679475.db2.gz CWNYLFPUEJYYKK-UHFFFAOYSA-N 1 0 228.267 1.114 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC1C[NH2+]C1 ZINC001574137735 992811551 /nfs/dbraw/zinc/81/15/51/992811551.db2.gz YPSGAHAHSAHMCQ-UHFFFAOYSA-N 1 0 219.332 1.122 20 10 BDCDRO Oc1ccc(C[NH2+][C@H]2CCCOCC2)cc1O ZINC000380029615 993308835 /nfs/dbraw/zinc/30/88/35/993308835.db2.gz OPGUIWBYSHHOFI-NSHDSACASA-N 1 0 237.299 1.757 20 10 BDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc(O)cc2O)C1 ZINC000389187999 993741988 /nfs/dbraw/zinc/74/19/88/993741988.db2.gz SZODQOWCYNZGPP-LLVKDONJSA-N 1 0 236.315 1.282 20 10 BDCDRO COc1ccc(O)c(CN2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000393872405 994017821 /nfs/dbraw/zinc/01/78/21/994017821.db2.gz AEWYWIGZLGDDSN-BXKDBHETSA-N 1 0 236.315 1.322 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H](O)C2)cc1C ZINC000298575202 178195093 /nfs/dbraw/zinc/19/50/93/178195093.db2.gz BIZGSSQISWBELX-ZDUSSCGKSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)C2)cc1C ZINC000128157023 178195486 /nfs/dbraw/zinc/19/54/86/178195486.db2.gz KFFUYWYGXXVWIX-LBPRGKRZSA-N 1 0 221.300 1.576 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCCNC2=O)cc1C ZINC000295001842 178197196 /nfs/dbraw/zinc/19/71/96/178197196.db2.gz IMLVYHBBOGRVFZ-LBPRGKRZSA-N 1 0 248.326 1.377 20 10 BDCDRO Cc1nccn1CC[NH2+]Cc1ccccc1O ZINC000134231894 398242309 /nfs/dbraw/zinc/24/23/09/398242309.db2.gz XTQKAOBCFUWZHQ-UHFFFAOYSA-N 1 0 231.299 1.687 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCCCO)cc1 ZINC000006319897 342776547 /nfs/dbraw/zinc/77/65/47/342776547.db2.gz OYBNPTKMYNSGMF-UHFFFAOYSA-N 1 0 222.332 1.615 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCNC(=O)CC2)c1 ZINC000093101872 398308597 /nfs/dbraw/zinc/30/85/97/398308597.db2.gz CILWTNMLYVSUER-UHFFFAOYSA-N 1 0 234.299 1.023 20 10 BDCDRO C[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363052 343343900 /nfs/dbraw/zinc/34/39/00/343343900.db2.gz ZPBWOKDMTZENQZ-SECBINFHSA-N 1 0 207.273 1.092 20 10 BDCDRO Cn1cc(C[NH2+]Cc2ccc3c(c2)CCO3)cn1 ZINC000041159489 343416277 /nfs/dbraw/zinc/41/62/77/343416277.db2.gz LRWPJQOKHVNEJC-UHFFFAOYSA-N 1 0 243.310 1.645 20 10 BDCDRO COC[C@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC000045656415 343532108 /nfs/dbraw/zinc/53/21/08/343532108.db2.gz GDDQTNNJJKFEHD-SNVBAGLBSA-N 1 0 239.315 1.773 20 10 BDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCO ZINC000020596942 178805192 /nfs/dbraw/zinc/80/51/92/178805192.db2.gz HWDQENKAAFHSPS-VHSXEESVSA-N 1 0 221.300 1.831 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](CO)C2)cc1 ZINC000092762964 345642264 /nfs/dbraw/zinc/64/22/64/345642264.db2.gz MKXNAWXBSGRZGY-CYBMUJFWSA-N 1 0 234.343 1.567 20 10 BDCDRO CC[NH+]1CCN(Cc2cc(F)ccc2O)CC1 ZINC000138236110 345760652 /nfs/dbraw/zinc/76/06/52/345760652.db2.gz OYNGSISGRNZMAX-UHFFFAOYSA-N 1 0 238.306 1.669 20 10 BDCDRO Cc1cccc(C[N@H+]2CCCN(C)CC2)c1O ZINC000124495069 179073843 /nfs/dbraw/zinc/07/38/43/179073843.db2.gz LWUHOMKXPZVNPV-UHFFFAOYSA-N 1 0 234.343 1.838 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC000183449127 179079798 /nfs/dbraw/zinc/07/97/98/179079798.db2.gz RFOKZHIYMFVEDY-LLVKDONJSA-N 1 0 234.299 1.008 20 10 BDCDRO Cc1cccc(C[NH2+]CCC[C@H](C)O)c1O ZINC000228090923 179091609 /nfs/dbraw/zinc/09/16/09/179091609.db2.gz RTQSIZVSWHYOMB-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H](C)CO)c1O ZINC000162829769 179092751 /nfs/dbraw/zinc/09/27/51/179092751.db2.gz HEWPCXKWFZRPJG-SECBINFHSA-N 1 0 209.289 1.419 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1O ZINC000187987313 179093513 /nfs/dbraw/zinc/09/35/13/179093513.db2.gz BVFAMUXVBMKLCW-YPMHNXCESA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](CO)C(C)C)c1O ZINC000038313321 179101328 /nfs/dbraw/zinc/10/13/28/179101328.db2.gz ZIHDWYABJPAAIO-GFCCVEGCSA-N 1 0 223.316 1.807 20 10 BDCDRO CC(C)[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000134696973 187570873 /nfs/dbraw/zinc/57/08/73/187570873.db2.gz SCLKRYBYMPTIPT-CQSZACIVSA-N 1 0 236.359 1.859 20 10 BDCDRO [NH3+][C@H]1CC=C(C(=O)N2CCNc3ccccc32)C1 ZINC000638238145 352088773 /nfs/dbraw/zinc/08/87/73/352088773.db2.gz SQBLJTYGRZIPJK-NSHDSACASA-N 1 0 243.310 1.493 20 10 BDCDRO CCN1CC[N@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000289199507 352175615 /nfs/dbraw/zinc/17/56/15/352175615.db2.gz BHKRAAXJNKGRJT-GFCCVEGCSA-N 1 0 234.343 1.918 20 10 BDCDRO CC(C)(O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297880742 188283644 /nfs/dbraw/zinc/28/36/44/188283644.db2.gz VBZHQOMRGPWBKQ-SNVBAGLBSA-N 1 0 221.300 1.740 20 10 BDCDRO C[C@@H]([NH2+]CCn1ccnc1)c1ccccc1O ZINC000041119234 188292766 /nfs/dbraw/zinc/29/27/66/188292766.db2.gz HZFUMHDAWLPZMN-LLVKDONJSA-N 1 0 231.299 1.940 20 10 BDCDRO Nc1ccc(C[NH2+]C[C@H]2CCCCO2)cc1 ZINC000042825300 181707348 /nfs/dbraw/zinc/70/73/48/181707348.db2.gz JLZUPUMLLOIWIK-CYBMUJFWSA-N 1 0 220.316 1.928 20 10 BDCDRO OC[C@@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000183244129 183117179 /nfs/dbraw/zinc/11/71/79/183117179.db2.gz CGXZDIJNOKCLCH-SNVBAGLBSA-N 1 0 239.290 1.736 20 10 BDCDRO CCC[NH2+][C@H](C)C(=O)NCc1ccccc1O ZINC000295197004 169284741 /nfs/dbraw/zinc/28/47/41/169284741.db2.gz OSMPLVYVTDRDIA-SNVBAGLBSA-N 1 0 236.315 1.397 20 10 BDCDRO C[C@H]([NH2+]Cc1ccc(N(C)C)cc1)C(=O)N(C)C ZINC000035140754 383833665 /nfs/dbraw/zinc/83/36/65/383833665.db2.gz XOAJIJXDCRMNOB-NSHDSACASA-N 1 0 249.358 1.319 20 10 BDCDRO C[C@@H]([NH2+]CCCO)c1ccc(N(C)C)cc1 ZINC000037236430 383961545 /nfs/dbraw/zinc/96/15/45/383961545.db2.gz VTLAZVNAWSMSSZ-LLVKDONJSA-N 1 0 222.332 1.786 20 10 BDCDRO C[C@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C ZINC000038088821 384067511 /nfs/dbraw/zinc/06/75/11/384067511.db2.gz MDKUBGOFDWNOJN-MNOVXSKESA-N 1 0 222.332 1.993 20 10 BDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(C)ccc1O ZINC000071265161 384156920 /nfs/dbraw/zinc/15/69/20/384156920.db2.gz LBIKVFCCIAOASP-QWRGUYRKSA-N 1 0 239.315 1.359 20 10 BDCDRO CC[C@@H]([NH2+]C[C@@H](O)COC)c1ccccc1O ZINC000071269705 384159598 /nfs/dbraw/zinc/15/95/98/384159598.db2.gz CBJJIYBUZVNTMR-ZYHUDNBSSA-N 1 0 239.315 1.440 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000092471014 384181663 /nfs/dbraw/zinc/18/16/63/384181663.db2.gz KQFIHBQRNFMOGI-GFCCVEGCSA-N 1 0 221.300 1.657 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000082506003 384230458 /nfs/dbraw/zinc/23/04/58/384230458.db2.gz MXLXQOKLFZVNPN-LBPRGKRZSA-N 1 0 209.289 1.643 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000125739459 384746218 /nfs/dbraw/zinc/74/62/18/384746218.db2.gz FMOWYZNUCORAEH-WDEREUQCSA-N 1 0 223.316 1.807 20 10 BDCDRO CCN(CC)c1ccc(CNC(=O)C[NH3+])cc1 ZINC000083362621 384764944 /nfs/dbraw/zinc/76/49/44/384764944.db2.gz XVMJLOBUMGTPOM-UHFFFAOYSA-N 1 0 235.331 1.108 20 10 BDCDRO CC[C@](C)(CO)[NH2+]Cc1cccc(C)c1O ZINC000163728069 384851413 /nfs/dbraw/zinc/85/14/13/384851413.db2.gz LVRUOJSRFUPAPZ-CYBMUJFWSA-N 1 0 223.316 1.951 20 10 BDCDRO CC(C)[N@H+](CCO)Cc1ccccc1O ZINC000128549990 384952211 /nfs/dbraw/zinc/95/22/11/384952211.db2.gz BGRQZRXGXOWAEO-UHFFFAOYSA-N 1 0 209.289 1.595 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CN(C)C)c1 ZINC000130318820 385237748 /nfs/dbraw/zinc/23/77/48/385237748.db2.gz HOXVYAVUQHOXJN-NSHDSACASA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c1 ZINC000193692260 385408819 /nfs/dbraw/zinc/40/88/19/385408819.db2.gz UIIMQPUZGSFFKD-GXFFZTMASA-N 1 0 248.326 1.315 20 10 BDCDRO C[C@@H](C(=O)N(C)Cc1ccccc1O)[C@H](C)[NH3+] ZINC000156655140 385464229 /nfs/dbraw/zinc/46/42/29/385464229.db2.gz AONQCUZCVVNYFQ-ZJUUUORDSA-N 1 0 236.315 1.334 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000271181775 385801561 /nfs/dbraw/zinc/80/15/61/385801561.db2.gz LNESRFGQUBROBK-AWEZNQCLSA-N 1 0 234.343 1.973 20 10 BDCDRO CN(CC(C)(C)C[NH3+])C(=O)Cc1ccc(N)cc1 ZINC000262591944 385863846 /nfs/dbraw/zinc/86/38/46/385863846.db2.gz UPWVQKNRGLREJP-UHFFFAOYSA-N 1 0 249.358 1.255 20 10 BDCDRO CC(C)[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000123922727 385946758 /nfs/dbraw/zinc/94/67/58/385946758.db2.gz VSPGAJVZUBTMOC-LBPRGKRZSA-N 1 0 209.289 1.499 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000122783871 386518975 /nfs/dbraw/zinc/51/89/75/386518975.db2.gz XFCSOBBTVUPZIU-SNVBAGLBSA-N 1 0 235.331 1.106 20 10 BDCDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1O ZINC000227976239 386526169 /nfs/dbraw/zinc/52/61/69/386526169.db2.gz GVMJINDZUHHTOR-MFKMUULPSA-N 1 0 237.299 1.022 20 10 BDCDRO C[C@@H](O)CCC[NH2+]Cc1cc(F)ccc1O ZINC000228091006 386541777 /nfs/dbraw/zinc/54/17/77/386541777.db2.gz QBXCGFUFXXHHNO-SECBINFHSA-N 1 0 227.279 1.782 20 10 BDCDRO CC[C@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000295150875 386692112 /nfs/dbraw/zinc/69/21/12/386692112.db2.gz RDBSMFOJRKHLGT-CYBMUJFWSA-N 1 0 236.359 1.955 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]Cc2cnnn2C)c(O)c1 ZINC000287467598 387446245 /nfs/dbraw/zinc/44/62/45/387446245.db2.gz WCWUVCXMSZZQQG-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cnnn2C)c1 ZINC000287278491 387401925 /nfs/dbraw/zinc/40/19/25/387401925.db2.gz JMKOKWGKZMXXNU-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000376245055 387614068 /nfs/dbraw/zinc/61/40/68/387614068.db2.gz OQIDGYIHSVUQHU-WCQYABFASA-N 1 0 231.299 1.207 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC2COC2)c1 ZINC000528023450 387829061 /nfs/dbraw/zinc/82/90/61/387829061.db2.gz DHPUXESYHZUPIT-SECBINFHSA-N 1 0 237.299 1.698 20 10 BDCDRO C[C@H]([NH2+]CCO)c1cc(Cl)ccc1O ZINC000134910547 388481762 /nfs/dbraw/zinc/48/17/62/388481762.db2.gz UIBUDCOAVONEEH-ZETCQYMHSA-N 1 0 215.680 1.689 20 10 BDCDRO CCN(C)C(=O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296418646 388422861 /nfs/dbraw/zinc/42/28/61/388422861.db2.gz LIHCTINGXZOHQK-LLVKDONJSA-N 1 0 248.326 1.447 20 10 BDCDRO CSC[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000164251477 397792521 /nfs/dbraw/zinc/79/25/21/397792521.db2.gz YFHDZERKQZBVSB-LBPRGKRZSA-N 1 0 241.356 1.596 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1cccc(C)c1O ZINC000188466198 169743198 /nfs/dbraw/zinc/74/31/98/169743198.db2.gz ICRLZWCPJSHOGZ-UHFFFAOYSA-N 1 0 222.288 1.008 20 10 BDCDRO CCOC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000180768130 170280461 /nfs/dbraw/zinc/28/04/61/170280461.db2.gz RBSZJYZKOFQFBP-GFCCVEGCSA-N 1 0 249.310 1.920 20 10 BDCDRO CC[C@@](C)(CO)[NH2+]Cc1cccc(C)c1O ZINC000163727965 171171494 /nfs/dbraw/zinc/17/14/94/171171494.db2.gz LVRUOJSRFUPAPZ-ZDUSSCGKSA-N 1 0 223.316 1.951 20 10 BDCDRO COCC[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000127126960 174280990 /nfs/dbraw/zinc/28/09/90/174280990.db2.gz FUDVSNQPCDPROJ-UHFFFAOYSA-N 1 0 240.322 1.970 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000019904329 174459107 /nfs/dbraw/zinc/45/91/07/174459107.db2.gz UKOMEWOGZKCURW-LLVKDONJSA-N 1 0 222.332 1.877 20 10 BDCDRO COc1ccc(C[NH2+]CCCCO)cc1C ZINC000234871579 175106568 /nfs/dbraw/zinc/10/65/68/175106568.db2.gz SMKATYIGRWRHRW-UHFFFAOYSA-N 1 0 223.316 1.866 20 10 BDCDRO COc1ccc(N2CC[C@H]([NH3+])C2)c(C)c1 ZINC000061567967 175139642 /nfs/dbraw/zinc/13/96/42/175139642.db2.gz COELTMGUPQVDTC-JTQLQIEISA-N 1 0 206.289 1.541 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)[C@H](C)CO)c1 ZINC000289458011 175158025 /nfs/dbraw/zinc/15/80/25/175158025.db2.gz OCCWTBIWFOASJU-SECBINFHSA-N 1 0 225.288 1.213 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCCOC2)c1 ZINC000103960260 175158989 /nfs/dbraw/zinc/15/89/89/175158989.db2.gz MKXYBDJHMZQYRY-LLVKDONJSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCO[C@H]2C)c1 ZINC000134236720 175159534 /nfs/dbraw/zinc/15/95/34/175159534.db2.gz MKZPQFMIXJHXTD-JOYOIKCWSA-N 1 0 237.299 1.668 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)C(C)C)c1 ZINC000164696528 175159577 /nfs/dbraw/zinc/15/95/77/175159577.db2.gz LZQOXKWXVRTJAS-CYBMUJFWSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)O)c1 ZINC000087010662 175160018 /nfs/dbraw/zinc/16/00/18/175160018.db2.gz YEPNRIIUGFSTMT-SECBINFHSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000035601840 175160774 /nfs/dbraw/zinc/16/07/74/175160774.db2.gz UVAXSFWALKDRRH-RKDXNWHRSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1cccc(C[N@H+](C)CCCO)c1O ZINC000281670584 175256076 /nfs/dbraw/zinc/25/60/76/175256076.db2.gz DHGNLJVVNDIYAC-UHFFFAOYSA-N 1 0 225.288 1.215 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](C)OC)c1O ZINC000189106814 175265246 /nfs/dbraw/zinc/26/52/46/175265246.db2.gz HKNJXTOKHNKFBH-VHSXEESVSA-N 1 0 239.315 1.914 20 10 BDCDRO COc1cccc(C[NH2+]Cc2nccn2C)c1O ZINC000071140803 175265340 /nfs/dbraw/zinc/26/53/40/175265340.db2.gz ZHUHWOGQVZAMFB-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO C[C@@H]1COCC[N@@H+]1Cc1ccccc1O ZINC000132606062 176337901 /nfs/dbraw/zinc/33/79/01/176337901.db2.gz FZSHPGJTTXUXRF-SNVBAGLBSA-N 1 0 207.273 1.613 20 10 BDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000292885464 177336494 /nfs/dbraw/zinc/33/64/94/177336494.db2.gz YDRNMHQESFDQKM-ONGXEEELSA-N 1 0 239.290 1.877 20 10 BDCDRO C[C@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000120127191 177470523 /nfs/dbraw/zinc/47/05/23/177470523.db2.gz RJFVTHSSYYIZLO-LBPRGKRZSA-N 1 0 207.273 1.661 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CC2COC2)c1 ZINC000528027360 262903276 /nfs/dbraw/zinc/90/32/76/262903276.db2.gz SEOMGIKZVYZELS-SNVBAGLBSA-N 1 0 221.300 1.998 20 10 BDCDRO Oc1ccccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000530176747 324508033 /nfs/dbraw/zinc/50/80/33/324508033.db2.gz LKBCUMBYYHKLLI-ZDUSSCGKSA-N 1 0 232.327 1.766 20 10 BDCDRO C[C@H](CCO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000844448562 582588243 /nfs/dbraw/zinc/58/82/43/582588243.db2.gz GDZHGKDGVKHMMC-GFCCVEGCSA-N 1 0 236.359 1.955 20 10 BDCDRO COc1ccc(N2CCN(C[C@@H](C)[NH3+])CC2)cc1 ZINC000019275600 536698096 /nfs/dbraw/zinc/69/80/96/536698096.db2.gz YGDCCZHHAZMAMZ-GFCCVEGCSA-N 1 0 249.358 1.164 20 10 BDCDRO CCOc1cccc(CN[C@H](C)C[NH2+]C)c1O ZINC000853248084 588728948 /nfs/dbraw/zinc/72/89/48/588728948.db2.gz AKKSPAXJUNPWMU-SNVBAGLBSA-N 1 0 238.331 1.488 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccccc1O ZINC000854230947 588781015 /nfs/dbraw/zinc/78/10/15/588781015.db2.gz CDAHMAHFXOIJMU-VHSXEESVSA-N 1 0 208.305 1.651 20 10 BDCDRO C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000892003278 582758730 /nfs/dbraw/zinc/75/87/30/582758730.db2.gz VAZMSBAGZWTBAE-UWVGGRQHSA-N 1 0 249.314 1.114 20 10 BDCDRO C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000892003280 582758791 /nfs/dbraw/zinc/75/87/91/582758791.db2.gz VAZMSBAGZWTBAE-ZJUUUORDSA-N 1 0 249.314 1.114 20 10 BDCDRO CC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2ccccc2O)C1 ZINC000857083880 588886428 /nfs/dbraw/zinc/88/64/28/588886428.db2.gz AHIMATTVFKNJIW-CMPLNLGQSA-N 1 0 248.326 1.664 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000877468776 583316700 /nfs/dbraw/zinc/31/67/00/583316700.db2.gz MPXKOIGQVHSBHJ-VXGBXAGGSA-N 1 0 235.327 1.951 20 10 BDCDRO COc1ccc(C[NH2+]CCF)c(O)c1OC ZINC000894218055 583381084 /nfs/dbraw/zinc/38/10/84/583381084.db2.gz FWYSKFQFRCZMRK-UHFFFAOYSA-N 1 0 229.251 1.469 20 10 BDCDRO COCC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000895971860 583756140 /nfs/dbraw/zinc/75/61/40/583756140.db2.gz VDONETSDROZHEQ-UHFFFAOYSA-N 1 0 225.263 1.610 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](C)[C@H](O)C1 ZINC000897678369 584035808 /nfs/dbraw/zinc/03/58/08/584035808.db2.gz ASNUPLVHCVFXPY-GXFFZTMASA-N 1 0 221.300 1.513 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1 ZINC000897681364 584038915 /nfs/dbraw/zinc/03/89/15/584038915.db2.gz SQYCQZDEEOPFET-NOZJJQNGSA-N 1 0 237.299 1.213 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@]2(C)CCNC2=O)cc1 ZINC000897874421 584056673 /nfs/dbraw/zinc/05/66/73/584056673.db2.gz WZDRTDLKGUEJPY-CQSZACIVSA-N 1 0 247.342 1.121 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC[C@@H](O)C1CC1 ZINC000898204101 584090908 /nfs/dbraw/zinc/09/09/08/584090908.db2.gz OBGNLPWPBDUVMZ-CYBMUJFWSA-N 1 0 239.290 1.782 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c(O)c1 ZINC000898182396 584092977 /nfs/dbraw/zinc/09/29/77/584092977.db2.gz COISBHRVJRYUEW-VXGBXAGGSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](F)C2)c(O)c1 ZINC000898182392 584093477 /nfs/dbraw/zinc/09/34/77/584093477.db2.gz COISBHRVJRYUEW-NWDGAFQWSA-N 1 0 239.290 1.605 20 10 BDCDRO CCC[NH2+]CCNCc1cc(OC)ccc1O ZINC000841046335 584124439 /nfs/dbraw/zinc/12/44/39/584124439.db2.gz AEYCMLZWPHBXSM-UHFFFAOYSA-N 1 0 238.331 1.490 20 10 BDCDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1ccccc1O ZINC000841059060 584125681 /nfs/dbraw/zinc/12/56/81/584125681.db2.gz LHRFRMQUBYLLIB-JQWIXIFHSA-N 1 0 220.316 1.480 20 10 BDCDRO Oc1cccc2c1[C@@H](N[C@@H]1C[C@@H]3CC[C@H]1[NH2+]3)CC2 ZINC000902459102 584610729 /nfs/dbraw/zinc/61/07/29/584610729.db2.gz BDSZAGCCZUPYDC-QNWHQSFQSA-N 1 0 244.338 1.862 20 10 BDCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])c1O ZINC000841076742 584756078 /nfs/dbraw/zinc/75/60/78/584756078.db2.gz NXVJBZRARVVDOQ-UWVGGRQHSA-N 1 0 238.331 1.616 20 10 BDCDRO CC[C@H]([NH3+])CNCc1ccc2c(c1)CCCO2 ZINC000904355319 584871002 /nfs/dbraw/zinc/87/10/02/584871002.db2.gz PWMMLADVCAATTH-ZDUSSCGKSA-N 1 0 234.343 1.839 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2CNOC2)cc1 ZINC000904423844 584880234 /nfs/dbraw/zinc/88/02/34/584880234.db2.gz JJSFFMXYNNPPFQ-SCOBNMCVSA-N 1 0 247.342 1.259 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCC[C@@H]1O ZINC000877071510 584889726 /nfs/dbraw/zinc/88/97/26/584889726.db2.gz PWYXQFFJDWSXRC-YPMHNXCESA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H](CNC(=O)C1=CC(=O)CS1)[NH+](C)C ZINC000732268171 584935146 /nfs/dbraw/zinc/93/51/46/584935146.db2.gz DAQDTXAKIUHJCU-ZETCQYMHSA-N 1 0 228.317 1.134 20 10 BDCDRO CC[C@H](N[C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945165 584992062 /nfs/dbraw/zinc/99/20/62/584992062.db2.gz WARRLEVCSNVKJT-JQWIXIFHSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@H](CN)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817966089 584992847 /nfs/dbraw/zinc/99/28/47/584992847.db2.gz GFAGOWMBBNIUMJ-SCZZXKLOSA-N 1 0 206.289 1.316 20 10 BDCDRO CC[C@@H]([NH2+][C@@H](C)CN)c1ccccc1O ZINC000817970115 584993411 /nfs/dbraw/zinc/99/34/11/584993411.db2.gz LUGZHJJYHNTOLY-GXSJLCMTSA-N 1 0 208.305 1.780 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](F)C1 ZINC000824570267 585028830 /nfs/dbraw/zinc/02/88/30/585028830.db2.gz ABOCJQPLMIVCDV-VIFPVBQESA-N 1 0 225.263 1.945 20 10 BDCDRO OCCC1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839141166 585094590 /nfs/dbraw/zinc/09/45/90/585094590.db2.gz UNPWJJKSBFRQDV-UHFFFAOYSA-N 1 0 225.263 1.346 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCNC2=O)c1O ZINC000839196146 585098845 /nfs/dbraw/zinc/09/88/45/585098845.db2.gz SBGGEMQGCIFMSM-GFCCVEGCSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H](C)CC(N)=O)cc1C ZINC000746474460 585168170 /nfs/dbraw/zinc/16/81/70/585168170.db2.gz CQUXXETXBDXTJC-SNVBAGLBSA-N 1 0 236.315 1.363 20 10 BDCDRO C[NH2+][C@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000843048540 585330430 /nfs/dbraw/zinc/33/04/30/585330430.db2.gz GBULESLBFGFIOZ-NSHDSACASA-N 1 0 238.306 1.715 20 10 BDCDRO Cc1cc(C)c(O)c(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000758396018 585355646 /nfs/dbraw/zinc/35/56/46/585355646.db2.gz BBEVLLRTULHRRP-LBPRGKRZSA-N 1 0 248.326 1.329 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)C2CC(O)C2)c1 ZINC000761222195 585412432 /nfs/dbraw/zinc/41/24/32/585412432.db2.gz IUSDZLWIHYGCAO-UHFFFAOYSA-N 1 0 237.299 1.356 20 10 BDCDRO C[N@H+](Cc1ccccc1O)C1CC(O)C1 ZINC000761222480 585412535 /nfs/dbraw/zinc/41/25/35/585412535.db2.gz JJJSEXNXPHJFNH-UHFFFAOYSA-N 1 0 207.273 1.347 20 10 BDCDRO CC[C@]1(O)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000779217793 585747383 /nfs/dbraw/zinc/74/73/83/585747383.db2.gz BPIQVUNCEZLQAY-ZDUSSCGKSA-N 1 0 239.290 1.878 20 10 BDCDRO CCOc1ccc(C[NH2+]C[C@@H](C)OC)c(O)c1 ZINC000785560255 585875426 /nfs/dbraw/zinc/87/54/26/585875426.db2.gz QBEGPQFHXFJUIE-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCN1C ZINC000785765148 585880226 /nfs/dbraw/zinc/88/02/26/585880226.db2.gz DGHNZUUMLUZLEV-CYBMUJFWSA-N 1 0 247.386 1.889 20 10 BDCDRO C[C@@]1(CO)CCC[N@@H+]1Cc1ccccc1O ZINC000788435848 585923305 /nfs/dbraw/zinc/92/33/05/585923305.db2.gz NNQICOACMHOXLY-ZDUSSCGKSA-N 1 0 221.300 1.739 20 10 BDCDRO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)ccc1N(C)C ZINC000815081057 586665122 /nfs/dbraw/zinc/66/51/22/586665122.db2.gz QOCRTPYXGBSYBA-WFASDCNBSA-N 1 0 248.370 1.874 20 10 BDCDRO Cc1nccnc1CC[NH2+]Cc1ccccc1O ZINC000815153390 586670192 /nfs/dbraw/zinc/67/01/92/586670192.db2.gz PCGOBHXWVWAFCJ-UHFFFAOYSA-N 1 0 243.310 1.823 20 10 BDCDRO C[N@H+](CCO)Cc1ccc2ccccc2c1O ZINC000816480629 586736288 /nfs/dbraw/zinc/73/62/88/586736288.db2.gz SFTUUIXYXITBES-UHFFFAOYSA-N 1 0 231.295 1.970 20 10 BDCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccccc1O ZINC000817414823 586802489 /nfs/dbraw/zinc/80/24/89/586802489.db2.gz OTSBIVXHXFPPIH-PWSUYJOCSA-N 1 0 221.300 1.737 20 10 BDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccccc1O ZINC000817414824 586802565 /nfs/dbraw/zinc/80/25/65/586802565.db2.gz OTSBIVXHXFPPIH-ZYHUDNBSSA-N 1 0 221.300 1.737 20 10 BDCDRO C[C@H]1C[C@@H](NCC[NH3+])c2c1c(F)ccc2O ZINC000817935454 586843432 /nfs/dbraw/zinc/84/34/32/586843432.db2.gz WERXVXVPVNSXCG-IONNQARKSA-N 1 0 224.279 1.628 20 10 BDCDRO CC[C@H]([NH2+]CCC[NH3+])c1ccc(F)cc1[O-] ZINC000817938646 586844485 /nfs/dbraw/zinc/84/44/85/586844485.db2.gz OVKAEABSQZLWNG-NSHDSACASA-N 1 0 226.295 1.921 20 10 BDCDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000817939744 586845563 /nfs/dbraw/zinc/84/55/63/586845563.db2.gz BMYSOVIDKKVCGA-GHMZBOCLSA-N 1 0 220.316 1.795 20 10 BDCDRO C[NH2+]CCN[C@@H](C)c1cc(OC)ccc1O ZINC000817951402 586847842 /nfs/dbraw/zinc/84/78/42/586847842.db2.gz FKLAJPWYEURIGL-VIFPVBQESA-N 1 0 224.304 1.271 20 10 BDCDRO C[C@@H](NC1C[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817955524 586849911 /nfs/dbraw/zinc/84/99/11/586849911.db2.gz XXLLXMBYNHQYOQ-SNVBAGLBSA-N 1 0 219.332 1.375 20 10 BDCDRO CC[C@@H](NC1C[NH2+]C1)c1ccc(C)cc1O ZINC000817955497 586849916 /nfs/dbraw/zinc/84/99/16/586849916.db2.gz CKKVYTRFLFOVGM-GFCCVEGCSA-N 1 0 220.316 1.713 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817960568 586851593 /nfs/dbraw/zinc/85/15/93/586851593.db2.gz OKAGZENZMJUEBO-VIFPVBQESA-N 1 0 238.331 1.789 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(F)cc1[O-] ZINC000817962952 586852600 /nfs/dbraw/zinc/85/26/00/586852600.db2.gz PSQFSFXASMLSHY-DTWKUNHWSA-N 1 0 226.295 1.777 20 10 BDCDRO CC[C@@H]([NH2+][C@H](C)CN)c1ccccc1O ZINC000817966343 586854801 /nfs/dbraw/zinc/85/48/01/586854801.db2.gz LUGZHJJYHNTOLY-MWLCHTKSSA-N 1 0 208.305 1.780 20 10 BDCDRO C[C@H](C[NH3+])N[C@H](C)c1ccc(N(C)C)cc1 ZINC000817966841 586855105 /nfs/dbraw/zinc/85/51/05/586855105.db2.gz WXTMJRLROFBMPS-GHMZBOCLSA-N 1 0 221.348 1.750 20 10 BDCDRO COC(=O)CC1CC([NH2+]Cc2ccccc2O)C1 ZINC000818329690 586886602 /nfs/dbraw/zinc/88/66/02/586886602.db2.gz CBSHHHZHHLTCFI-UHFFFAOYSA-N 1 0 249.310 1.824 20 10 BDCDRO C[C@@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819097071 586930636 /nfs/dbraw/zinc/93/06/36/586930636.db2.gz WUZOAJWZDSCTBO-GFCCVEGCSA-N 1 0 232.327 1.533 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CC[C@H]1O ZINC000822504540 587172233 /nfs/dbraw/zinc/17/22/33/587172233.db2.gz ULNFGQBIXOYGCD-ZIAGYGMSSA-N 1 0 234.343 1.674 20 10 BDCDRO CCCN(Cc1ccccc1O)C(=O)[C@H]1CC[NH2+]1 ZINC000828144993 587421631 /nfs/dbraw/zinc/42/16/31/587421631.db2.gz RRUQHDWUJSBWGS-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO Nc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000832250187 587652005 /nfs/dbraw/zinc/65/20/05/587652005.db2.gz LWFBFDJYADQLJE-UHFFFAOYSA-N 1 0 205.261 1.089 20 10 BDCDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000832244122 587652192 /nfs/dbraw/zinc/65/21/92/587652192.db2.gz LEXTYFRPGPSHKZ-JTQLQIEISA-N 1 0 239.344 1.288 20 10 BDCDRO C[C@H]([NH3+])CCC(=O)NCCc1ccc(N)cc1 ZINC000832659028 587674537 /nfs/dbraw/zinc/67/45/37/587674537.db2.gz HUTFZZJRBSLXDL-JTQLQIEISA-N 1 0 235.331 1.055 20 10 BDCDRO Nc1ccc(CCNC(=O)CC2([NH3+])CCC2)cc1 ZINC000832659105 587674844 /nfs/dbraw/zinc/67/48/44/587674844.db2.gz MHSXJTHSZOYNEH-UHFFFAOYSA-N 1 0 247.342 1.199 20 10 BDCDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)Cc1ccc(N)cc1 ZINC000834361294 587753049 /nfs/dbraw/zinc/75/30/49/587753049.db2.gz HLSQBNXQQPUVST-PWSUYJOCSA-N 1 0 247.342 1.007 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC[C@H](C)O ZINC000840942058 587931203 /nfs/dbraw/zinc/93/12/03/587931203.db2.gz QTMNRXPMMZYYLB-LBPRGKRZSA-N 1 0 236.359 1.922 20 10 BDCDRO CN(C)c1ccc2c(c1)OCCN2CCC[NH3+] ZINC000841011845 587935600 /nfs/dbraw/zinc/93/56/00/587935600.db2.gz PJRNBCISXIEZSU-UHFFFAOYSA-N 1 0 235.331 1.300 20 10 BDCDRO COc1cccc(O)c1CNC[C@@H]([NH3+])C(C)C ZINC000841028902 587935947 /nfs/dbraw/zinc/93/59/47/587935947.db2.gz KQWJTUHUWBQFQU-LLVKDONJSA-N 1 0 238.331 1.474 20 10 BDCDRO CC(C)(C)[NH2+]CCNCCc1ccc(N)cc1 ZINC000841037947 587937889 /nfs/dbraw/zinc/93/78/89/587937889.db2.gz DLHCREWJAPVBJV-UHFFFAOYSA-N 1 0 235.375 1.789 20 10 BDCDRO Oc1c(F)cccc1CNC[C@@H]1CCC[NH2+]1 ZINC000841035758 587938185 /nfs/dbraw/zinc/93/81/85/587938185.db2.gz LKUCVAMQCBCHAM-JTQLQIEISA-N 1 0 224.279 1.373 20 10 BDCDRO [NH3+][C@H](C[NH2+]Cc1cccc(Cl)c1[O-])C1CC1 ZINC000841048045 587939296 /nfs/dbraw/zinc/93/92/96/587939296.db2.gz BKAFASKGXAMUJI-LLVKDONJSA-N 1 0 240.734 1.873 20 10 BDCDRO CCOc1cccc(CN[C@H](C)C[NH3+])c1O ZINC000841059664 587940820 /nfs/dbraw/zinc/94/08/20/587940820.db2.gz JYCGMTQGPCZUOA-SECBINFHSA-N 1 0 224.304 1.228 20 10 BDCDRO CC[C@H]([NH3+])CNCc1c(O)cccc1OC ZINC000841069646 587942525 /nfs/dbraw/zinc/94/25/25/587942525.db2.gz CBXCTDQPXGGQRP-VIFPVBQESA-N 1 0 224.304 1.228 20 10 BDCDRO Oc1ccc(Cl)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841078471 587945022 /nfs/dbraw/zinc/94/50/22/587945022.db2.gz RPONUOHFOGOCOX-IAZYJMLFSA-N 1 0 238.718 1.353 20 10 BDCDRO CC1(C)[NH2+]CC[C@H]1NCc1cccc(F)c1O ZINC000841085447 587946033 /nfs/dbraw/zinc/94/60/33/587946033.db2.gz CPAXBLWNDOXTIG-LLVKDONJSA-N 1 0 238.306 1.761 20 10 BDCDRO C[C@]1(C(=O)Nc2ccc(N)cc2)CCC[NH2+]1 ZINC000841846542 587977225 /nfs/dbraw/zinc/97/72/25/587977225.db2.gz PPFBMUNICVVGLD-GFCCVEGCSA-N 1 0 219.288 1.349 20 10 BDCDRO C[C@@]1(O)C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000841892503 587982675 /nfs/dbraw/zinc/98/26/75/587982675.db2.gz ZUIMJHJENJXDBK-XBXGTLAGSA-N 1 0 233.311 1.625 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842773588 588062136 /nfs/dbraw/zinc/06/21/36/588062136.db2.gz BLKJKFCFVAMJDV-UWVGGRQHSA-N 1 0 237.299 1.668 20 10 BDCDRO COc1cccc(O)c1CN1CCC[C@@H]([NH3+])C1 ZINC000843043831 588075922 /nfs/dbraw/zinc/07/59/22/588075922.db2.gz JPZHSFXFFDEUHK-SNVBAGLBSA-N 1 0 236.315 1.324 20 10 BDCDRO Cc1cc(O)c(CN2CC[C@@H]([NH3+])C2)c(Cl)c1 ZINC000843045773 588076414 /nfs/dbraw/zinc/07/64/14/588076414.db2.gz WBFMJQCLPKFGKP-SECBINFHSA-N 1 0 240.734 1.887 20 10 BDCDRO CN(Cc1cccc(F)c1O)[C@@H]1CC[NH2+]C1 ZINC000843048955 588077045 /nfs/dbraw/zinc/07/70/45/588077045.db2.gz BRFZVVXYRGPXDE-SNVBAGLBSA-N 1 0 224.279 1.325 20 10 BDCDRO CCC[C@H]1C[NH2+]CCN1Cc1ccccc1O ZINC000843058423 588077708 /nfs/dbraw/zinc/07/77/08/588077708.db2.gz SIKIRZROYMCOJK-ZDUSSCGKSA-N 1 0 234.343 1.966 20 10 BDCDRO C[C@@H]1CN(Cc2cccc(F)c2O)[C@@H](C)C[NH2+]1 ZINC000843120085 588083231 /nfs/dbraw/zinc/08/32/31/588083231.db2.gz VJHDWKKQDMBRSF-ZJUUUORDSA-N 1 0 238.306 1.714 20 10 BDCDRO C[C@@H]1C[NH2+][C@@H](C)CN1Cc1cccc(F)c1O ZINC000843120084 588083238 /nfs/dbraw/zinc/08/32/38/588083238.db2.gz VJHDWKKQDMBRSF-VHSXEESVSA-N 1 0 238.306 1.714 20 10 BDCDRO Nc1ccc(NCC2CC[NH2+]CC2)cc1 ZINC000843125740 588084232 /nfs/dbraw/zinc/08/42/32/588084232.db2.gz GWBSMPIZZLHBCF-UHFFFAOYSA-N 1 0 205.305 1.680 20 10 BDCDRO CC(C)(CC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000843501903 588116646 /nfs/dbraw/zinc/11/66/46/588116646.db2.gz STBRNMJLKCGDLY-UHFFFAOYSA-N 1 0 235.331 1.055 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1O ZINC000846189514 588259376 /nfs/dbraw/zinc/25/93/76/588259376.db2.gz MAFRFUJZWHDJAO-BBBLOLIVSA-N 1 0 234.299 1.307 20 10 BDCDRO C[C@@H]([NH2+][C@H](CO)CCF)c1cc(F)ccc1O ZINC000846208310 588259994 /nfs/dbraw/zinc/25/99/94/588259994.db2.gz IGFCZLBSEFVSLV-SCZZXKLOSA-N 1 0 245.269 1.902 20 10 BDCDRO CCNC(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849049901 588451448 /nfs/dbraw/zinc/45/14/48/588451448.db2.gz VPWOEWXDMVQPHA-UHFFFAOYSA-N 1 0 227.695 1.679 20 10 BDCDRO Cc1cccc(CN(C)CC(C)(C)[NH3+])c1O ZINC000849350558 588474682 /nfs/dbraw/zinc/47/46/82/588474682.db2.gz QHLPKSKPWPHZBF-UHFFFAOYSA-N 1 0 222.332 1.870 20 10 BDCDRO CON(C)CC[NH2+][C@H](C)c1ccccc1O ZINC000850478634 588548024 /nfs/dbraw/zinc/54/80/24/588548024.db2.gz DTBWSYNXGWRMKT-SNVBAGLBSA-N 1 0 224.304 1.536 20 10 BDCDRO Nc1ccc(CC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000852852438 588708201 /nfs/dbraw/zinc/70/82/01/588708201.db2.gz XJIOUZBZCROYBB-UHFFFAOYSA-N 1 0 247.342 1.199 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2cc(F)ccc2O)C[NH2+]1 ZINC000863484631 589293135 /nfs/dbraw/zinc/29/31/35/589293135.db2.gz KDHJOHLQDZFPQV-JOYOIKCWSA-N 1 0 238.306 1.761 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1cc(F)ccc1O ZINC000863487944 589293700 /nfs/dbraw/zinc/29/37/00/589293700.db2.gz ZKVWRSHSXDXNHP-GZMMTYOYSA-N 1 0 224.279 1.371 20 10 BDCDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1O ZINC000863546808 589298126 /nfs/dbraw/zinc/29/81/26/589298126.db2.gz MOIVOXFOUZVUIE-VDDIYKPWSA-N 1 0 238.306 1.932 20 10 BDCDRO COc1cccc(CNC(=[NH2+])N[C@H]2C[C@H]2C)c1O ZINC000864455966 589366913 /nfs/dbraw/zinc/36/69/13/589366913.db2.gz AZHVGNLNKASTQI-SCZZXKLOSA-N 1 0 249.314 1.423 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)CO)c1 ZINC000122060491 589551640 /nfs/dbraw/zinc/55/16/40/589551640.db2.gz KXNPYKYOMNQTRV-UHFFFAOYSA-N 1 0 239.315 1.509 20 10 BDCDRO C[C@H](NC(=O)[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000870987734 589706680 /nfs/dbraw/zinc/70/66/80/589706680.db2.gz CAATWVJZYIMGHD-GXSJLCMTSA-N 1 0 234.299 1.321 20 10 BDCDRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988616 589706851 /nfs/dbraw/zinc/70/68/51/589706851.db2.gz VATPWBINCHFODC-VHSXEESVSA-N 1 0 248.326 1.710 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000870988353 589706983 /nfs/dbraw/zinc/70/69/83/589706983.db2.gz NIQIDXGYTLARFN-WDEREUQCSA-N 1 0 248.326 1.569 20 10 BDCDRO CC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988215 589707129 /nfs/dbraw/zinc/70/71/29/589707129.db2.gz JCGOGVCBXZYIJT-SCZZXKLOSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@@H](NC(=O)C[NH2+]C1CC1)c1ccccc1O ZINC000870988370 589707140 /nfs/dbraw/zinc/70/71/40/589707140.db2.gz NVSKQQOOFOYSNE-SECBINFHSA-N 1 0 234.299 1.321 20 10 BDCDRO C[C@@H](NC(=O)CC1(C[NH3+])CC1)c1ccccc1O ZINC000870988497 589707154 /nfs/dbraw/zinc/70/71/54/589707154.db2.gz QTNHRFIKNFBICQ-SNVBAGLBSA-N 1 0 248.326 1.698 20 10 BDCDRO C[C@@H]([NH3+])CC(=O)N[C@H](C)c1ccccc1O ZINC000870987716 589707190 /nfs/dbraw/zinc/70/71/90/589707190.db2.gz BBDQFDQURIUISO-RKDXNWHRSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988338 589707229 /nfs/dbraw/zinc/70/72/29/589707229.db2.gz MTFFTBCUXMCUJH-GUBZILKMSA-N 1 0 236.315 1.553 20 10 BDCDRO CCc1nn(C)cc1C[NH2+]Cc1ccccc1O ZINC000124020564 589905232 /nfs/dbraw/zinc/90/52/32/589905232.db2.gz BFHUWDUGXPKNBE-UHFFFAOYSA-N 1 0 245.326 1.978 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCOC2)cc1C ZINC000125865142 590193990 /nfs/dbraw/zinc/19/39/90/590193990.db2.gz LHHJMUZXRWAOAE-GFCCVEGCSA-N 1 0 221.300 1.888 20 10 BDCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000876504805 590204203 /nfs/dbraw/zinc/20/42/03/590204203.db2.gz XLPBPEURYGUBKA-MNOVXSKESA-N 1 0 233.315 1.581 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000876504804 590204246 /nfs/dbraw/zinc/20/42/46/590204246.db2.gz XLPBPEURYGUBKA-GHMZBOCLSA-N 1 0 233.315 1.581 20 10 BDCDRO CC[N@H+](CCO)Cc1c(C)cccc1O ZINC000876526879 590209237 /nfs/dbraw/zinc/20/92/37/590209237.db2.gz JFMNJUFNUFNRLX-UHFFFAOYSA-N 1 0 209.289 1.515 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)C1 ZINC000876561180 590215443 /nfs/dbraw/zinc/21/54/43/590215443.db2.gz MCSLQLGITJZKFA-SNVBAGLBSA-N 1 0 207.273 1.267 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)C1 ZINC000876589501 590219058 /nfs/dbraw/zinc/21/90/58/590219058.db2.gz MCSLQLGITJZKFA-JTQLQIEISA-N 1 0 207.273 1.267 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCCOCC2)c(O)c1 ZINC000876618415 590222490 /nfs/dbraw/zinc/22/24/90/590222490.db2.gz UULMDHOZAOJCDL-UHFFFAOYSA-N 1 0 221.300 1.923 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@@H]1CCOC1 ZINC000876690653 590231088 /nfs/dbraw/zinc/23/10/88/590231088.db2.gz OYQBIPIMSWKCPM-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCOC1 ZINC000876929294 590258109 /nfs/dbraw/zinc/25/81/09/590258109.db2.gz HIXRPUXJAAYDNI-NSHDSACASA-N 1 0 221.300 1.827 20 10 BDCDRO CN(C(=O)[C@]1(C)CCC[NH2+]1)c1ccc(N)cc1 ZINC000877077197 590278605 /nfs/dbraw/zinc/27/86/05/590278605.db2.gz ZDEMOWVREQZQOP-ZDUSSCGKSA-N 1 0 233.315 1.374 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077532 590279296 /nfs/dbraw/zinc/27/92/96/590279296.db2.gz LYEBGIHDDOVAMO-DTWKUNHWSA-N 1 0 221.304 1.215 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CCCN(C)C2=O)c(O)c1 ZINC000877080474 590280083 /nfs/dbraw/zinc/28/00/83/590280083.db2.gz QZXBBVFCKKVZDF-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CCCO ZINC000877109244 590286689 /nfs/dbraw/zinc/28/66/89/590286689.db2.gz DDQWYKCVDSTAIA-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+]CCc2cnccn2)c(O)c1 ZINC000877131950 590290596 /nfs/dbraw/zinc/29/05/96/590290596.db2.gz PMGZWQPZEIQLTN-UHFFFAOYSA-N 1 0 243.310 1.823 20 10 BDCDRO Cc1cccc(C[NH2+]CCCn2ccnn2)c1O ZINC000126424501 590302422 /nfs/dbraw/zinc/30/24/22/590302422.db2.gz JWCPTHCXSAUPSP-UHFFFAOYSA-N 1 0 246.314 1.472 20 10 BDCDRO C[C@H](NC(=O)CC1([NH3+])CC1)c1ccccc1O ZINC000877255697 590304260 /nfs/dbraw/zinc/30/42/60/590304260.db2.gz HHJIMAKYKNBCOA-VIFPVBQESA-N 1 0 234.299 1.451 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[S@](C)=O ZINC000877310525 590312286 /nfs/dbraw/zinc/31/22/86/590312286.db2.gz NQQGBSLUTOYRMO-QFYYESIMSA-N 1 0 241.356 1.557 20 10 BDCDRO Cc1ccc(C[NH2+]CCc2ccn(C)n2)c(O)c1 ZINC000877353236 590318597 /nfs/dbraw/zinc/31/85/97/590318597.db2.gz PNBJKYFYGGDQPS-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO COC(=O)C1(C[NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877425007 590325225 /nfs/dbraw/zinc/32/52/25/590325225.db2.gz WLPOMYBDGFCOCW-UHFFFAOYSA-N 1 0 249.310 1.743 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c(O)c1 ZINC000877468607 590333201 /nfs/dbraw/zinc/33/32/01/590333201.db2.gz KXUIHLHFVQWGLU-AAEUAGOBSA-N 1 0 235.327 1.951 20 10 BDCDRO CC[C@@H]([NH2+]Cc1c(C)cccc1O)[C@H](C)O ZINC000877569076 590361556 /nfs/dbraw/zinc/36/15/56/590361556.db2.gz ZJOJPWFWQPXVHP-CMPLNLGQSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCC1(CO)CC1 ZINC000877571326 590361818 /nfs/dbraw/zinc/36/18/18/590361818.db2.gz VFJMDWDAWOSOPO-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO CC[C@@H]([NH2+]Cc1c(C)cccc1O)[C@@H](C)O ZINC000877569079 590362108 /nfs/dbraw/zinc/36/21/08/590362108.db2.gz ZJOJPWFWQPXVHP-ZYHUDNBSSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1ccc(C[NH2+]CC2(N(C)C)CC2)c(O)c1 ZINC000877592756 590369435 /nfs/dbraw/zinc/36/94/35/590369435.db2.gz JOMFVVJDDUNLTE-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC3(COC3)C2)c(O)c1 ZINC000877638693 590381488 /nfs/dbraw/zinc/38/14/88/590381488.db2.gz LQTIQYPSGZWWIW-UHFFFAOYSA-N 1 0 233.311 1.923 20 10 BDCDRO COc1ccc(C[NH2+]C2(C)COC2)cc1C ZINC000877691356 590392728 /nfs/dbraw/zinc/39/27/28/590392728.db2.gz NSXSUECMRVFAJY-UHFFFAOYSA-N 1 0 221.300 1.882 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)=O)c1 ZINC000878361029 590554013 /nfs/dbraw/zinc/55/40/13/590554013.db2.gz VULOWFKIWQVAGT-SECBINFHSA-N 1 0 223.272 1.640 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC=C[C@H]2CO)cc1 ZINC000880492684 591071436 /nfs/dbraw/zinc/07/14/36/591071436.db2.gz UYVBVYFXGOBPGE-AWEZNQCLSA-N 1 0 232.327 1.485 20 10 BDCDRO C[C@H](O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000130639531 591490426 /nfs/dbraw/zinc/49/04/26/591490426.db2.gz QCHQLSNQXBZIKK-QMMMGPOBSA-N 1 0 229.707 1.858 20 10 BDCDRO CON(C)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000883172465 591562976 /nfs/dbraw/zinc/56/29/76/591562976.db2.gz HVXIYWYCHCSNKM-UHFFFAOYSA-N 1 0 236.315 1.204 20 10 BDCDRO C[C@H]1CN(Cc2cccc(Cl)c2[O-])CC[NH2+]1 ZINC000132482392 591713548 /nfs/dbraw/zinc/71/35/48/591713548.db2.gz QGQXCGVMCOPHAX-VIFPVBQESA-N 1 0 240.734 1.839 20 10 BDCDRO C[NH2+][C@@H]1CCCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000133054207 591761847 /nfs/dbraw/zinc/76/18/47/591761847.db2.gz MQQPAXQVOOYFFT-CYBMUJFWSA-N 1 0 247.342 1.022 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000884008842 591796889 /nfs/dbraw/zinc/79/68/89/591796889.db2.gz CZQCYGCFZHEXSK-NSHDSACASA-N 1 0 233.315 1.453 20 10 BDCDRO [NH3+]C1(CNCc2ccc3c(c2)CCO3)CC1 ZINC000259000459 635233828 /nfs/dbraw/zinc/23/38/28/635233828.db2.gz FEJUYUOBJSXXFM-UHFFFAOYSA-N 1 0 218.300 1.202 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CNOC2)c1 ZINC000925861549 635556204 /nfs/dbraw/zinc/55/62/04/635556204.db2.gz FERXRQJSJVBEGO-VHSXEESVSA-N 1 0 222.288 1.255 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CNOC1)c1cc(Cl)ccc1O ZINC000925862325 635558675 /nfs/dbraw/zinc/55/86/75/635558675.db2.gz OHVAIEVVLWOQAY-VXNVDRBHSA-N 1 0 242.706 1.600 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCOC1)c1cc(F)ccc1O ZINC000087784328 631482744 /nfs/dbraw/zinc/48/27/44/631482744.db2.gz ZROBVWDEYMQABN-WCBMZHEXSA-N 1 0 225.263 1.971 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCC[C@H]2O)c1 ZINC000089164278 631496879 /nfs/dbraw/zinc/49/68/79/631496879.db2.gz SUEQSFOMURIDDH-WCQYABFASA-N 1 0 235.327 1.951 20 10 BDCDRO C[NH2+]C[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000237065351 635732394 /nfs/dbraw/zinc/73/23/94/635732394.db2.gz HGXHNVBVPAWQRC-QMMMGPOBSA-N 1 0 207.277 1.063 20 10 BDCDRO C[C@@H]([NH2+]CC1(O)CCC1)c1ccccc1O ZINC000162199799 633022511 /nfs/dbraw/zinc/02/25/11/633022511.db2.gz NALCOSLGZHQEIT-SNVBAGLBSA-N 1 0 221.300 1.958 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000168830608 633149465 /nfs/dbraw/zinc/14/94/65/633149465.db2.gz DSQBONJJNUCYSL-HTQZYQBOSA-N 1 0 240.278 1.446 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCSC1 ZINC000309886470 633903421 /nfs/dbraw/zinc/90/34/21/633903421.db2.gz YQYBRBBVXMLRKL-VIFPVBQESA-N 1 0 239.340 1.996 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CCOC1 ZINC000309884418 634037339 /nfs/dbraw/zinc/03/73/39/634037339.db2.gz XLMUUGTWTFPYEO-SECBINFHSA-N 1 0 223.272 1.279 20 10 BDCDRO Nc1ccc(CCN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000925695810 634352790 /nfs/dbraw/zinc/35/27/90/634352790.db2.gz XXOIAWJFCDCKCM-CQSZACIVSA-N 1 0 245.370 1.686 20 10 BDCDRO [NH3+]C1(CNCc2ccc3c(c2)CCCO3)CC1 ZINC000258995180 635230137 /nfs/dbraw/zinc/23/01/37/635230137.db2.gz DSSSOEVJNUNEER-UHFFFAOYSA-N 1 0 232.327 1.593 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@]2(C)CCNC2=O)cc1C ZINC000897873183 636841576 /nfs/dbraw/zinc/84/15/76/636841576.db2.gz XWSJHEMTLLNZCN-CQSZACIVSA-N 1 0 248.326 1.377 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1O ZINC000042544123 637278733 /nfs/dbraw/zinc/27/87/33/637278733.db2.gz APWITNXQFKBVDN-MNOVXSKESA-N 1 0 220.316 1.747 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1NCc1ccc2c(c1)CCO2 ZINC000904463306 637406723 /nfs/dbraw/zinc/40/67/23/637406723.db2.gz PMEVZIZJBWWVKW-CQSZACIVSA-N 1 0 246.354 1.709 20 10 BDCDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000911660890 639692887 /nfs/dbraw/zinc/69/28/87/639692887.db2.gz NWISYQBOKOCACX-SKDRFNHKSA-N 1 0 235.331 1.971 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)c1nccn1C ZINC000164019769 640433333 /nfs/dbraw/zinc/43/33/33/640433333.db2.gz NBAZVIMCSYMVRB-JTQLQIEISA-N 1 0 231.299 1.977 20 10 BDCDRO Cc1cccc(C[NH2+]Cc2ncc[nH]2)c1O ZINC000165166288 640543792 /nfs/dbraw/zinc/54/37/92/640543792.db2.gz PWGFKZOLEGSQAU-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO OCCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000157357997 640671591 /nfs/dbraw/zinc/67/15/91/640671591.db2.gz CQBDYTNMFBDTQW-UHFFFAOYSA-N 1 0 247.338 1.874 20 10 BDCDRO C[N@H+](CCNC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000059931479 640841432 /nfs/dbraw/zinc/84/14/32/640841432.db2.gz LHPSJYCMFYHLFH-UHFFFAOYSA-N 1 0 247.342 1.022 20 10 BDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000228356548 640872063 /nfs/dbraw/zinc/87/20/63/640872063.db2.gz QNTWTRFGGPOYJR-CYBMUJFWSA-N 1 0 248.326 1.411 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000229970508 640999793 /nfs/dbraw/zinc/99/97/93/640999793.db2.gz ATUQDPYVNRMQIP-WCBMZHEXSA-N 1 0 227.279 1.953 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CCSC2)c(O)c1 ZINC000230705311 641084546 /nfs/dbraw/zinc/08/45/46/641084546.db2.gz ZKLMXEFEIIJXCA-JTQLQIEISA-N 1 0 239.340 1.996 20 10 BDCDRO C[C@@H]([NH2+]CCC[NH3+])c1ccc(F)cc1[O-] ZINC000062747663 641092072 /nfs/dbraw/zinc/09/20/72/641092072.db2.gz MPEBKBGQVSRMDZ-MRVPVSSYSA-N 1 0 212.268 1.531 20 10 BDCDRO Cc1cccc(C[NH2+]CCc2ccnn2C)c1O ZINC000231036720 641127569 /nfs/dbraw/zinc/12/75/69/641127569.db2.gz HTEIZYNHPHSIRT-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO COc1cccc(CN2CC[NH2+][C@@H](C)C2)c1O ZINC000088058707 641307406 /nfs/dbraw/zinc/30/74/06/641307406.db2.gz JLXBUIILBKZTGQ-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO COc1ccc(C[NH2+]Cc2cnc[nH]2)c(O)c1 ZINC000088750586 641386771 /nfs/dbraw/zinc/38/67/71/641386771.db2.gz NYTKSSRSPBUUDM-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000152881656 641666298 /nfs/dbraw/zinc/66/62/98/641666298.db2.gz SNEPBVIONVSTPX-GFCCVEGCSA-N 1 0 234.299 1.103 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1ccccc1O ZINC000077453138 641857893 /nfs/dbraw/zinc/85/78/93/641857893.db2.gz BKRSPJAPGICHIO-NSHDSACASA-N 1 0 209.289 1.643 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCC[C@H]1O)CC2 ZINC000296631349 643548225 /nfs/dbraw/zinc/54/82/25/643548225.db2.gz CGOGVPDACVZEKX-IJLUTSLNSA-N 1 0 233.311 1.883 20 10 BDCDRO Cc1ccc(O)c(CN(C)C2C[NH2+]C2)c1 ZINC000085257393 643606462 /nfs/dbraw/zinc/60/64/62/643606462.db2.gz MCDSGGNBHJFALR-UHFFFAOYSA-N 1 0 206.289 1.104 20 10 BDCDRO CN(Cc1cc(Cl)ccc1O)C1C[NH2+]C1 ZINC000085257090 643606474 /nfs/dbraw/zinc/60/64/74/643606474.db2.gz AQDJAQMRLAQUTP-UHFFFAOYSA-N 1 0 226.707 1.449 20 10 BDCDRO C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000050286480 643678186 /nfs/dbraw/zinc/67/81/86/643678186.db2.gz BEHMIXQSJCJYLQ-LLVKDONJSA-N 1 0 234.343 1.539 20 10 BDCDRO C[C@@H](O)CC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921744763 643769856 /nfs/dbraw/zinc/76/98/56/643769856.db2.gz ZCHOOADAPJKWJC-LLVKDONJSA-N 1 0 235.327 1.872 20 10 BDCDRO C[C@@H](CCO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921762903 643777398 /nfs/dbraw/zinc/77/73/98/643777398.db2.gz RJIRSEWUACXDPZ-NSHDSACASA-N 1 0 235.327 1.872 20 10 BDCDRO OC1CC(C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922293589 643957237 /nfs/dbraw/zinc/95/72/37/643957237.db2.gz LEIGUTKBZBNSMH-UHFFFAOYSA-N 1 0 247.338 1.872 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC[C@H]2CNC(=O)C2)c1 ZINC000922781725 644095514 /nfs/dbraw/zinc/09/55/14/644095514.db2.gz SHQIJGSLKWMXSC-LLVKDONJSA-N 1 0 248.326 1.316 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1O ZINC000079952419 644221623 /nfs/dbraw/zinc/22/16/23/644221623.db2.gz GTRHRSYDNRYRLU-UWVGGRQHSA-N 1 0 234.299 1.321 20 10 BDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193840317 644283355 /nfs/dbraw/zinc/28/33/55/644283355.db2.gz ZISAMTZQBFMQDP-UHFFFAOYSA-N 1 0 249.358 1.321 20 10 BDCDRO Cc1cc(CN2CCC[C@@H]([NH3+])C2)ccc1N(C)C ZINC000923282875 644317899 /nfs/dbraw/zinc/31/78/99/644317899.db2.gz UYDKTIVCDBGCKN-CQSZACIVSA-N 1 0 247.386 1.984 20 10 BDCDRO Cc1cc(CN(C)[C@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923288566 644322458 /nfs/dbraw/zinc/32/24/58/644322458.db2.gz XTLQIMBELRSTQA-AWEZNQCLSA-N 1 0 247.386 1.855 20 10 BDCDRO C[C@H]1CN(Cc2ccc(N(C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000086466781 644466750 /nfs/dbraw/zinc/46/67/50/644466750.db2.gz WHXKGXMNJSTLIV-STQMWFEESA-N 1 0 247.386 1.935 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCC[C@H]1O)c1ccccc1O ZINC000248384901 644678075 /nfs/dbraw/zinc/67/80/75/644678075.db2.gz GJRWTRFGDASHGU-UFGOTCBOSA-N 1 0 221.300 1.956 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](CO)CCF)c1O ZINC000846097237 645405301 /nfs/dbraw/zinc/40/53/01/645405301.db2.gz OEWUJXZGYOYTGF-SNVBAGLBSA-N 1 0 243.278 1.211 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+][C@H](C)C2)c1 ZINC000083814060 711810196 /nfs/dbraw/zinc/81/01/96/711810196.db2.gz JFWZSKPYFWRNAJ-LLVKDONJSA-N 1 0 220.316 1.494 20 10 BDCDRO CN1CC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000712608575 712437514 /nfs/dbraw/zinc/43/75/14/712437514.db2.gz NBZLBCJVUHGHJX-LLVKDONJSA-N 1 0 206.289 1.186 20 10 BDCDRO C[C@@H]([NH3+])CN(C)Cc1cc(F)ccc1O ZINC000380114025 712687632 /nfs/dbraw/zinc/68/76/32/712687632.db2.gz SRBCADYTAUYQGC-MRVPVSSYSA-N 1 0 212.268 1.310 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CCOC1)CC2 ZINC000381496005 710646477 /nfs/dbraw/zinc/64/64/77/710646477.db2.gz BFMOYAIFBIECIT-GHMZBOCLSA-N 1 0 219.284 1.758 20 10 BDCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000381647048 710666944 /nfs/dbraw/zinc/66/69/44/710666944.db2.gz BXQSNCFUDXTYLN-NXEZZACHSA-N 1 0 221.300 1.480 20 10 BDCDRO Cn1ccc(C[NH2+][C@@H]2CCc3cccc(O)c32)n1 ZINC000386205794 711024732 /nfs/dbraw/zinc/02/47/32/711024732.db2.gz MAQMUVNSAVDRFD-GFCCVEGCSA-N 1 0 243.310 1.903 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cc(OC)ccc1O)[C@@H](C)O ZINC000386815600 711036752 /nfs/dbraw/zinc/03/67/52/711036752.db2.gz FHTDDPKYKSSJSH-BXKDBHETSA-N 1 0 239.315 1.650 20 10 BDCDRO C[C@H]1C[C@@H]([NH2+]CCO)c2c1c(F)ccc2O ZINC000381259264 710612652 /nfs/dbraw/zinc/61/26/52/710612652.db2.gz RNMDJPJGVGWXFE-IONNQARKSA-N 1 0 225.263 1.662 20 10 BDCDRO CCn1cnc(C[NH2+]Cc2ccccc2O)c1 ZINC000902155169 710879487 /nfs/dbraw/zinc/87/94/87/710879487.db2.gz FFRXVVCXLFSCIH-UHFFFAOYSA-N 1 0 231.299 1.898 20 10 BDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CN2CCC1CC2 ZINC000386444806 711030214 /nfs/dbraw/zinc/03/02/14/711030214.db2.gz CFCIBMFXMONKIW-CQSZACIVSA-N 1 0 246.354 1.918 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1COCCO1)CC2 ZINC000386534201 711032119 /nfs/dbraw/zinc/03/21/19/711032119.db2.gz PRSZTEAAHPQUPJ-VXGBXAGGSA-N 1 0 249.310 1.385 20 10 BDCDRO CCOC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000045686356 711488162 /nfs/dbraw/zinc/48/81/62/711488162.db2.gz OFZIKMNGZGLTAN-SNVBAGLBSA-N 1 0 237.299 1.996 20 10 BDCDRO c1cc(C[NH2+][C@H]2CCOC2)cc2c1OCC2 ZINC000087416065 711835389 /nfs/dbraw/zinc/83/53/89/711835389.db2.gz GSXJJJVEYWLXIA-LBPRGKRZSA-N 1 0 219.284 1.500 20 10 BDCDRO CN(C(=O)C1CC[NH+](C)CC1)c1ccc(N)cc1 ZINC000702110729 712038745 /nfs/dbraw/zinc/03/87/45/712038745.db2.gz NJQKTUSRVSPPIY-UHFFFAOYSA-N 1 0 247.342 1.573 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]CCOCCF)CC2 ZINC000705649282 712134012 /nfs/dbraw/zinc/13/40/12/712134012.db2.gz HDXGQGXUNJQWHV-LLVKDONJSA-N 1 0 239.290 1.955 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)cc1C ZINC000707487463 712172404 /nfs/dbraw/zinc/17/24/04/712172404.db2.gz DRZBKSSHLHSJHL-BETUJISGSA-N 1 0 235.327 1.864 20 10 BDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000707617097 712176492 /nfs/dbraw/zinc/17/64/92/712176492.db2.gz HASTWMPDKWMTNL-BJHJDKERSA-N 1 0 233.311 1.482 20 10 BDCDRO CCc1cccc(C[NH2+]CCOC)c1O ZINC000709416332 712221318 /nfs/dbraw/zinc/22/13/18/712221318.db2.gz MHXMHQDILVDKKL-UHFFFAOYSA-N 1 0 209.289 1.691 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)CCC1C[NH2+]C1 ZINC000709505139 712223262 /nfs/dbraw/zinc/22/32/62/712223262.db2.gz FRZYZZWASKLZHA-UHFFFAOYSA-N 1 0 248.326 1.350 20 10 BDCDRO CN1CC[C@H]1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000712581808 712433631 /nfs/dbraw/zinc/43/36/31/712433631.db2.gz PSYZIFWNDNLLNS-RYUDHWBXSA-N 1 0 232.327 1.673 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CCN2C)c1 ZINC000712537291 712442863 /nfs/dbraw/zinc/44/28/63/712442863.db2.gz CTSVVDAIMDPOTD-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)c1nncn1C ZINC000037017449 712529472 /nfs/dbraw/zinc/52/94/72/712529472.db2.gz MVVIGOBWSNPIOU-NXEZZACHSA-N 1 0 246.314 1.933 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccc(N(C)C)cc1 ZINC000037261359 712560840 /nfs/dbraw/zinc/56/08/40/712560840.db2.gz BWNVFQBCNIUVPK-ZJUUUORDSA-N 1 0 235.331 1.277 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362459 712574968 /nfs/dbraw/zinc/57/49/68/712574968.db2.gz QXOXYNKOGWRUQL-JTQLQIEISA-N 1 0 221.300 1.746 20 10 BDCDRO C[C@@H]([NH2+]C/C=C\CO)c1ccccc1O ZINC000717533042 712660669 /nfs/dbraw/zinc/66/06/69/712660669.db2.gz MAJPWVZJDWTZEC-UMCURTJPSA-N 1 0 207.273 1.591 20 10 BDCDRO CN1CC[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000380211695 712726533 /nfs/dbraw/zinc/72/65/33/712726533.db2.gz HYELYVPSKVIFFA-VXGBXAGGSA-N 1 0 232.327 1.673 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1cc(F)ccc1O ZINC000720951954 712881803 /nfs/dbraw/zinc/88/18/03/712881803.db2.gz TVRWWJFQSJCONN-QXEWZRGKSA-N 1 0 239.290 1.953 20 10 BDCDRO Cc1c(O)ccc(CN(C)C[C@H](C)[NH3+])c1O ZINC001236899616 979788691 /nfs/dbraw/zinc/78/86/91/979788691.db2.gz NGSJAISKTXWPHP-QMMMGPOBSA-N 1 0 224.304 1.185 20 10 BDCDRO Cc1cccc(O)c1CN1CC([NH+](C)C)C1 ZINC001237483937 979913342 /nfs/dbraw/zinc/91/33/42/979913342.db2.gz WFCMKYRLNZVKIE-UHFFFAOYSA-N 1 0 220.316 1.446 20 10 BDCDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(N(C)C)cc1 ZINC001574073381 984070587 /nfs/dbraw/zinc/07/05/87/984070587.db2.gz CPHXHNJCISDMEI-UWVGGRQHSA-N 1 0 235.331 1.277 20 10 BDCDRO CCn1cc(C[NH2+][C@@H](C)c2ccccc2O)nn1 ZINC000404505072 971172807 /nfs/dbraw/zinc/17/28/07/971172807.db2.gz LBGIEHFYDLMDPH-JTQLQIEISA-N 1 0 246.314 1.854 20 10 BDCDRO [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccccc1O ZINC000405228029 971213131 /nfs/dbraw/zinc/21/31/31/971213131.db2.gz UJPXSJWTXKKRJH-CMPLNLGQSA-N 1 0 248.326 1.526 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2cc(Cl)ccc2O)C1 ZINC000405832058 971309821 /nfs/dbraw/zinc/30/98/21/971309821.db2.gz NVXBKDBWZOJKHD-LBPRGKRZSA-N 1 0 240.734 1.969 20 10 BDCDRO Nc1ccc(O[C@H]2CCCC[NH2+]C2)cc1 ZINC001217967438 971550753 /nfs/dbraw/zinc/55/07/53/971550753.db2.gz AOAINJAVTVZPMK-LBPRGKRZSA-N 1 0 206.289 1.790 20 10 BDCDRO CCN(C)c1ccc(C[N@H+](C)C[C@@H](C)O)cc1 ZINC000773751614 971604852 /nfs/dbraw/zinc/60/48/52/971604852.db2.gz FWYJZVGZQNOHIQ-GFCCVEGCSA-N 1 0 236.359 1.955 20 10 BDCDRO C[C@@H]1CC[C@H](Oc2ccc(N)cc2)C[NH2+]1 ZINC001218396048 971771974 /nfs/dbraw/zinc/77/19/74/971771974.db2.gz ZIPOTNCMKSHPPD-SKDRFNHKSA-N 1 0 206.289 1.788 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccc(N)cc1 ZINC001209885780 957553751 /nfs/dbraw/zinc/55/37/51/957553751.db2.gz IXHWSROHGAWFHV-PHIMTYICSA-N 1 0 219.332 1.451 20 10 BDCDRO NC(=O)CC[NH2+]Cc1ccc(N2CCCC2)cc1 ZINC000037262024 957740967 /nfs/dbraw/zinc/74/09/67/957740967.db2.gz ZXNJOSWAXHMSHA-UHFFFAOYSA-N 1 0 247.342 1.252 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H](O)C2)c1 ZINC001140619405 960461772 /nfs/dbraw/zinc/46/17/72/960461772.db2.gz CICVJRWDIIKBBO-RISCZKNCSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCCOCC2)c1O ZINC001140742505 960543708 /nfs/dbraw/zinc/54/37/08/960543708.db2.gz QBYSGRYJJATDGC-UHFFFAOYSA-N 1 0 237.299 1.629 20 10 BDCDRO C[C@]1(CO)CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155939 960892213 /nfs/dbraw/zinc/89/22/13/960892213.db2.gz BBLYEDLKFFASQR-ZDUSSCGKSA-N 1 0 237.299 1.302 20 10 BDCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156868 960895877 /nfs/dbraw/zinc/89/58/77/960895877.db2.gz VVLFKEBSXWNRRZ-ZJUUUORDSA-N 1 0 237.299 1.301 20 10 BDCDRO CC(=O)C1CC[NH+](Cc2cc(O)ccc2O)CC1 ZINC001141159671 960896867 /nfs/dbraw/zinc/89/68/67/960896867.db2.gz JEKZAXQDKAZQHS-UHFFFAOYSA-N 1 0 249.310 1.899 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CC3(C2)CCOCC3)c1 ZINC001141158596 960897299 /nfs/dbraw/zinc/89/72/99/960897299.db2.gz GENBHFPPXRKNQF-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@]3(CCO3)C2)c1 ZINC001141160156 960897819 /nfs/dbraw/zinc/89/78/19/960897819.db2.gz REOLOZWXZGZZLN-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO Oc1ccc(O)c(CN2C[C@H]3C[C@@H](C2)O3)c1 ZINC001141161798 960899830 /nfs/dbraw/zinc/89/98/30/960899830.db2.gz YPADRADBIIDMKL-PHIMTYICSA-N 1 0 221.256 1.071 20 10 BDCDRO CC1([NH3+])CN(Cc2cc(F)c(F)cc2O)C1 ZINC001204979685 963305456 /nfs/dbraw/zinc/30/54/56/963305456.db2.gz JLTDZJSIUPGYBV-UHFFFAOYSA-N 1 0 228.242 1.203 20 10 BDCDRO [NH3+]CCN(CCO)c1ccc2c(c1)C=CC2 ZINC001163837124 965607018 /nfs/dbraw/zinc/60/70/18/965607018.db2.gz QYEUGOUYSVCXCW-UHFFFAOYSA-N 1 0 218.300 1.013 20 10 BDCDRO Cc1cc(O)c(CN(C)C2C[NH2+]C2)cc1Cl ZINC001235922860 966164484 /nfs/dbraw/zinc/16/44/84/966164484.db2.gz COUMWJUZFBIGHZ-UHFFFAOYSA-N 1 0 240.734 1.758 20 10 BDCDRO COc1ccc(CN2CC(C)(C[NH3+])C2)c(O)c1 ZINC001206710983 966186011 /nfs/dbraw/zinc/18/60/11/966186011.db2.gz CEAZLKMVHPVMOL-UHFFFAOYSA-N 1 0 236.315 1.181 20 10 BDCDRO CC1(C[NH3+])CN(Cc2ccccc2O)C1 ZINC001206711530 966198108 /nfs/dbraw/zinc/19/81/08/966198108.db2.gz JXGMHGPKGMTPFI-UHFFFAOYSA-N 1 0 206.289 1.173 20 10 BDCDRO Oc1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236281903 966328590 /nfs/dbraw/zinc/32/85/90/966328590.db2.gz CCKPTLFBOOBPMJ-MWLCHTKSSA-N 1 0 238.718 1.449 20 10 BDCDRO Cc1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236284183 966334657 /nfs/dbraw/zinc/33/46/57/966334657.db2.gz HELZOPDLVVSCLS-VXGBXAGGSA-N 1 0 218.300 1.104 20 10 BDCDRO CC1(CO)C[NH+](Cc2ccccc2O)C1 ZINC001203550397 966680425 /nfs/dbraw/zinc/68/04/25/966680425.db2.gz VATJCSFXMQVXTE-UHFFFAOYSA-N 1 0 207.273 1.206 20 10 BDCDRO COC(=O)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC001203560451 966689444 /nfs/dbraw/zinc/68/94/44/966689444.db2.gz AHMGMGIXVMLEES-LLVKDONJSA-N 1 0 249.310 1.777 20 10 BDCDRO CN1CCC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203560520 966692199 /nfs/dbraw/zinc/69/21/99/966692199.db2.gz BQUUQZMOACIYHK-GXTWGEPZSA-N 1 0 246.354 1.918 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@H](C(C)=O)C2)c(O)c1 ZINC001203634463 966713656 /nfs/dbraw/zinc/71/36/56/966713656.db2.gz HHNBIKZYJHGKSL-NSHDSACASA-N 1 0 249.310 1.812 20 10 BDCDRO COc1ccc(C[N@@H+]2CCC[C@H]2C(C)=O)c(O)c1 ZINC001203634995 966713922 /nfs/dbraw/zinc/71/39/22/966713922.db2.gz FMHJMFUCXOWMEH-ZDUSSCGKSA-N 1 0 249.310 1.954 20 10 BDCDRO COc1ccc(C[N@@H+]2CCCC23COC3)c(O)c1 ZINC001203627968 966714511 /nfs/dbraw/zinc/71/45/11/966714511.db2.gz SWGICMYVDFCCII-UHFFFAOYSA-N 1 0 249.310 1.766 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(OC)cc1O ZINC001203635063 966716843 /nfs/dbraw/zinc/71/68/43/966716843.db2.gz IPDJXWTZPJCONI-LLVKDONJSA-N 1 0 237.299 1.622 20 10 BDCDRO Cn1c(=O)cccc1C1=CCC[NH2+]CC1 ZINC001238944995 966798380 /nfs/dbraw/zinc/79/83/80/966798380.db2.gz MGSQEWTWWMZMOT-UHFFFAOYSA-N 1 0 204.273 1.152 20 10 BDCDRO Oc1ccc(C[N@H+]2CCC[C@H](O)C2)cc1O ZINC001203873273 966803684 /nfs/dbraw/zinc/80/36/84/966803684.db2.gz AMLJSWUFQUCLFS-JTQLQIEISA-N 1 0 223.272 1.055 20 10 BDCDRO CCC[N@H+](CCOC)Cc1ccc(O)c(O)c1 ZINC001203874101 966804878 /nfs/dbraw/zinc/80/48/78/966804878.db2.gz OBZDXMSIURXVPH-UHFFFAOYSA-N 1 0 239.315 1.956 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874627 966806216 /nfs/dbraw/zinc/80/62/16/966806216.db2.gz AUFWZXIOKNWFRP-JTQLQIEISA-N 1 0 223.272 1.319 20 10 BDCDRO OC[C@@H]1CCCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874035 966806550 /nfs/dbraw/zinc/80/65/50/966806550.db2.gz LQQKBYREDKSMEA-NSHDSACASA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCCC3(COC3)C2)cc1O ZINC001203875341 966806589 /nfs/dbraw/zinc/80/65/89/966806589.db2.gz LXWJESMYFGJBAZ-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO Oc1ccc(C[NH+]2CC(C3COC3)C2)cc1O ZINC001203874074 966806875 /nfs/dbraw/zinc/80/68/75/966806875.db2.gz MYTKAMLIPFVPDD-UHFFFAOYSA-N 1 0 235.283 1.176 20 10 BDCDRO C[C@H](C[NH3+])N(C)Cc1cc(F)ccc1O ZINC000383004249 966931492 /nfs/dbraw/zinc/93/14/92/966931492.db2.gz YPRMLWUEURWVTI-MRVPVSSYSA-N 1 0 212.268 1.310 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)c(O)c1 ZINC001204281519 966957365 /nfs/dbraw/zinc/95/73/65/966957365.db2.gz TYJJWZIMAGMWRX-RYUDHWBXSA-N 1 0 249.310 1.566 20 10 BDCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277276 966957420 /nfs/dbraw/zinc/95/74/20/966957420.db2.gz ATUASHNAJXCZAP-GFCCVEGCSA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@H]3[C@H](CF)[C@H]3C2)c(O)c1 ZINC001204281892 966957508 /nfs/dbraw/zinc/95/75/08/966957508.db2.gz ZFLFDGNHBAUYML-CNDDSTCGSA-N 1 0 237.274 1.745 20 10 BDCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3ccc(O)cc3O)C[C@H]12 ZINC001204281074 966959655 /nfs/dbraw/zinc/95/96/55/966959655.db2.gz PKWAOBNZDHVGCB-GAJTVXKRSA-N 1 0 249.310 1.565 20 10 BDCDRO [NH3+][C@H]1CN(Cc2c(O)cccc2Cl)C[C@H]1F ZINC001204823728 967185021 /nfs/dbraw/zinc/18/50/21/967185021.db2.gz LQVSADVVNIWNNK-ZJUUUORDSA-N 1 0 244.697 1.527 20 10 BDCDRO Nc1ccc(CN2CCCC[C@@H]2C[NH3+])cc1 ZINC001204931879 967237481 /nfs/dbraw/zinc/23/74/81/967237481.db2.gz GBQQEQKOFXJYAM-CYBMUJFWSA-N 1 0 219.332 1.582 20 10 BDCDRO C[C@]1([NH3+])CCCN(Cc2ccc(N)cc2)C1 ZINC001204945050 967251251 /nfs/dbraw/zinc/25/12/51/967251251.db2.gz DTFYTQRLLSPLHZ-ZDUSSCGKSA-N 1 0 219.332 1.582 20 10 BDCDRO Cn1cc(C[N@@H+]2CCc3cccc(O)c3C2)cn1 ZINC001205015499 967292376 /nfs/dbraw/zinc/29/23/76/967292376.db2.gz NJNARKNBSIHGCK-UHFFFAOYSA-N 1 0 243.310 1.684 20 10 BDCDRO C[C@@H]1CCN(Cc2c(O)cccc2F)C[C@@H]1[NH3+] ZINC001205868502 967866512 /nfs/dbraw/zinc/86/65/12/967866512.db2.gz HEGNZGAAIHTICD-SKDRFNHKSA-N 1 0 238.306 1.700 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC001206075353 968043392 /nfs/dbraw/zinc/04/33/92/968043392.db2.gz HRVVYGAFTYETCH-ZYHUDNBSSA-N 1 0 220.316 1.480 20 10 BDCDRO C[C@H]1C[NH2+]CCN(Cc2ccc(N)cc2)C1 ZINC001206276498 968191645 /nfs/dbraw/zinc/19/16/45/968191645.db2.gz FITYPILWBLRVSL-NSHDSACASA-N 1 0 219.332 1.310 20 10 BDCDRO Oc1cc2c(cc1C[NH2+][C@@H]1C=CCC1)OCO2 ZINC000698326604 968325592 /nfs/dbraw/zinc/32/55/92/968325592.db2.gz KKVHZVWXYVFLGV-SNVBAGLBSA-N 1 0 233.267 1.929 20 10 BDCDRO Nc1ccc(C[N@@H+]2CCC(F)(F)[C@@H](N)C2)cc1 ZINC001206683929 968430888 /nfs/dbraw/zinc/43/08/88/968430888.db2.gz NPEXBEVKJQFPGU-NSHDSACASA-N 1 0 241.285 1.437 20 10 BDCDRO CC1=NO[C@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000826567405 968669880 /nfs/dbraw/zinc/66/98/80/968669880.db2.gz XVIHQRWAUVPTKB-NSHDSACASA-N 1 0 238.262 1.786 20 10 BDCDRO CCNC(=O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000742366297 968948338 /nfs/dbraw/zinc/94/83/38/968948338.db2.gz SPDPNAGMKZZABX-UHFFFAOYSA-N 1 0 236.315 1.235 20 10 BDCDRO C[C@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1[O-] ZINC000062747664 969842619 /nfs/dbraw/zinc/84/26/19/969842619.db2.gz YGKWSIMZICHLIR-VIFPVBQESA-N 1 0 226.295 1.921 20 10 BDCDRO C[C@@H]1CCN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001210499765 969911288 /nfs/dbraw/zinc/91/12/88/969911288.db2.gz WSVQRISZQWBXSE-LLVKDONJSA-N 1 0 219.332 1.453 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@@H](C)O)c1O ZINC000691458860 969961597 /nfs/dbraw/zinc/96/15/97/969961597.db2.gz DHEQMZUQXNPGQX-SECBINFHSA-N 1 0 209.289 1.425 20 10 BDCDRO CCc1cccc(C[NH2+]CC[C@@H](C)O)c1O ZINC000691479295 970006306 /nfs/dbraw/zinc/00/63/06/970006306.db2.gz GKOHWBMGOSXREP-SNVBAGLBSA-N 1 0 223.316 1.815 20 10 BDCDRO C[C@H]1CC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144504020 972850520 /nfs/dbraw/zinc/85/05/20/972850520.db2.gz ILBINRQAYKXAHW-ZETCQYMHSA-N 1 0 209.245 1.398 20 10 BDCDRO COc1ccc(N2CC[C@H]3[C@@H]2CC[N@@H+]3C)cc1 ZINC001276924338 973304405 /nfs/dbraw/zinc/30/44/05/973304405.db2.gz IHXIUXPSKHFACP-KBPBESRZSA-N 1 0 232.327 1.978 20 10 BDCDRO [NH3+]C1(CNCc2ccc(N3CCCC3)cc2)CC1 ZINC001334754593 976623165 /nfs/dbraw/zinc/62/31/65/976623165.db2.gz PHSKKEKDIBOROC-UHFFFAOYSA-N 1 0 245.370 1.868 20 10 BDCDRO Cc1c[nH+]ccc1Nc1cc(N)c(O)cc1O ZINC001174539255 976829079 /nfs/dbraw/zinc/82/90/79/976829079.db2.gz ZVXPBSQBRJTSDQ-UHFFFAOYSA-N 1 0 231.255 1.549 20 10 BDCDRO Nc1ccc(CN2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1 ZINC001336116982 977512790 /nfs/dbraw/zinc/51/27/90/977512790.db2.gz JUMNJHFEPAIIIC-GXTWGEPZSA-N 1 0 231.343 1.453 20 10 BDCDRO CC(C)[C@H]1CN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001336287007 977618041 /nfs/dbraw/zinc/61/80/41/977618041.db2.gz VYYSKNZIQNXJLJ-CQSZACIVSA-N 1 0 233.359 1.699 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N)cc1 ZINC001336286232 977618574 /nfs/dbraw/zinc/61/85/74/977618574.db2.gz PNUBGHFTNIZYNH-GWCFXTLKSA-N 1 0 219.332 1.499 20 10 BDCDRO CO[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@@H]1F ZINC001231590797 977639922 /nfs/dbraw/zinc/63/99/22/977639922.db2.gz IBUKYLAFTNFGFR-NWDGAFQWSA-N 1 0 239.290 1.869 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c1O ZINC001231590895 977640826 /nfs/dbraw/zinc/64/08/26/977640826.db2.gz KMUIIZBYTKTUJM-ZWNOBZJWSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[N@@H+](C)C2COC2)c1O ZINC001231593144 977641932 /nfs/dbraw/zinc/64/19/32/977641932.db2.gz PTRPSKNMHSVVKA-UHFFFAOYSA-N 1 0 207.273 1.531 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC001231842261 977761088 /nfs/dbraw/zinc/76/10/88/977761088.db2.gz LUXUMJMOWVTJRB-UHFFFAOYSA-N 1 0 235.327 1.823 20 10 BDCDRO Cc1cc(C)c(C[N@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC001231842546 977762240 /nfs/dbraw/zinc/76/22/40/977762240.db2.gz OAPKKSPYMSOHSD-VXGBXAGGSA-N 1 0 235.327 1.964 20 10 BDCDRO COCC[N@H+](C)Cc1ccc(N(C)C)cc1O ZINC001232835164 978308606 /nfs/dbraw/zinc/30/86/06/978308606.db2.gz YJKNJCDIKJSFNG-UHFFFAOYSA-N 1 0 238.331 1.536 20 10 BDCDRO Oc1cc(C[NH+]2C3CCC2CC3)cc(O)c1O ZINC001233013373 978411084 /nfs/dbraw/zinc/41/10/84/978411084.db2.gz PVUUJKWBGAQXKE-UHFFFAOYSA-N 1 0 235.283 1.930 20 10 BDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2c(O)cccc2F)C1 ZINC001206414996 978857190 /nfs/dbraw/zinc/85/71/90/978857190.db2.gz SWTWEFLENPIPQN-DTWKUNHWSA-N 1 0 242.269 1.402 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC[C@]3(CCO3)C2)c(O)c1 ZINC001204279095 978934700 /nfs/dbraw/zinc/93/47/00/978934700.db2.gz QLWWOPPELUQPMS-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)c(O)c1 ZINC001204280458 978943424 /nfs/dbraw/zinc/94/34/24/978943424.db2.gz KFINQBIUAPUWIO-RISCZKNCSA-N 1 0 249.310 1.709 20 10 BDCDRO Nc1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235168196 978987551 /nfs/dbraw/zinc/98/75/51/978987551.db2.gz CUPITLACVJVSBL-WCQYABFASA-N 1 0 217.316 1.192 20 10 BDCDRO COc1ccc(O)c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235981902 979259494 /nfs/dbraw/zinc/25/94/94/979259494.db2.gz SNWJDUQPCBVJEQ-SMDDNHRTSA-N 1 0 248.326 1.324 20 10 BDCDRO C[C@H]1C[C@H]([NH3+])CN(Cc2ccc(N)cc2)C1 ZINC001236048098 979343986 /nfs/dbraw/zinc/34/39/86/979343986.db2.gz BQJXVEFYTUHEAU-GWCFXTLKSA-N 1 0 219.332 1.438 20 10 BDCDRO OCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001236072591 979360856 /nfs/dbraw/zinc/36/08/56/979360856.db2.gz LDLCWXPRWXSIOH-UHFFFAOYSA-N 1 0 207.273 1.133 20 10 BDCDRO Cc1c(O)ccc(CN2CCC[C@@H]2C[NH3+])c1O ZINC001236246420 979466236 /nfs/dbraw/zinc/46/62/36/979466236.db2.gz AJXFUSBNIAVYRM-LLVKDONJSA-N 1 0 236.315 1.329 20 10 BDCDRO C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604260773 979603545 /nfs/dbraw/zinc/60/35/45/979603545.db2.gz YRZSNSJWUZYLEF-YUMQZZPRSA-N 1 0 238.287 1.088 20 10 BDCDRO CCc1ccc(C[NH+]2CC(CO)C2)c(O)c1 ZINC001236793962 979739164 /nfs/dbraw/zinc/73/91/64/979739164.db2.gz HZQMCQFMBWHQAM-UHFFFAOYSA-N 1 0 221.300 1.379 20 10 BDCDRO C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(N)cc1 ZINC001342698246 979871768 /nfs/dbraw/zinc/87/17/68/979871768.db2.gz BXLRLUPJBLFBJI-ZDUSSCGKSA-N 1 0 249.358 1.519 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)C1COC1 ZINC001237490166 979918844 /nfs/dbraw/zinc/91/88/44/979918844.db2.gz QKINEDLBFPDYJD-UHFFFAOYSA-N 1 0 207.273 1.531 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2CCN(C)[C@@H]2C1 ZINC001237488549 979920091 /nfs/dbraw/zinc/92/00/91/979920091.db2.gz ZTUZVOAUILEVCQ-GXTWGEPZSA-N 1 0 246.354 1.837 20 10 BDCDRO Nc1ccc(CNC(=O)CC2(C[NH3+])CC2)cc1 ZINC001346210143 980786821 /nfs/dbraw/zinc/78/68/21/980786821.db2.gz OOGPKEAGGPLKQE-UHFFFAOYSA-N 1 0 233.315 1.014 20 10 BDCDRO CC(C)([NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001346220289 980789066 /nfs/dbraw/zinc/78/90/66/980789066.db2.gz MGHCESBDRNZAOQ-UHFFFAOYSA-N 1 0 221.304 1.012 20 10 BDCDRO Cn1ccc2c1nccc2C1=CCC[NH2+]C1 ZINC001240670745 981581193 /nfs/dbraw/zinc/58/11/93/981581193.db2.gz LXGLIBIIKWCWPK-UHFFFAOYSA-N 1 0 213.284 1.950 20 10 BDCDRO C1=C(c2ccc(N3CCOCC3)cc2)C[NH2+]C1 ZINC001243109882 984566442 /nfs/dbraw/zinc/56/64/42/984566442.db2.gz UIJSNGRWTMUZPI-UHFFFAOYSA-N 1 0 230.311 1.510 20 10 BDCDRO CC(C)Cn1ccc(C2=CC[NH2+]C2)cc1=O ZINC001243110655 984569638 /nfs/dbraw/zinc/56/96/38/984569638.db2.gz CSSLQVMKVUDHIJ-UHFFFAOYSA-N 1 0 218.300 1.491 20 10 BDCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccccc1O ZINC000688046040 985528107 /nfs/dbraw/zinc/52/81/07/985528107.db2.gz GWKYORWWPOBGNY-KOLCDFICSA-N 1 0 207.273 1.517 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@H]2CO)c(O)c1 ZINC000196423297 985759645 /nfs/dbraw/zinc/75/96/45/985759645.db2.gz IJZGPIBXDXORGG-LBPRGKRZSA-N 1 0 221.300 1.657 20 10 BDCDRO c1cc(N2CC[NH2+]CC2)ccc1C1=CCCOC1 ZINC001245161041 986709632 /nfs/dbraw/zinc/70/96/32/986709632.db2.gz UMNFERKKPAIKBZ-UHFFFAOYSA-N 1 0 244.338 1.900 20 10 BDCDRO C[N@H+](CCC(N)=O)Cc1ccc(Cl)cc1O ZINC001474509520 987737336 /nfs/dbraw/zinc/73/73/36/987737336.db2.gz QQCGWYUUGPRHDN-UHFFFAOYSA-N 1 0 242.706 1.353 20 10 BDCDRO Nc1ccc(CNC(=O)[C@]23C[C@H]2CCC[NH2+]3)cc1 ZINC001515333176 989025849 /nfs/dbraw/zinc/02/58/49/989025849.db2.gz ODBFFOVWNUOJLD-RISCZKNCSA-N 1 0 245.326 1.027 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001515332472 989027330 /nfs/dbraw/zinc/02/73/30/989027330.db2.gz JKLRMFSLQDLKBS-VXGBXAGGSA-N 1 0 247.342 1.258 20 10 BDCDRO C[C@H](NC(=O)C1([NH3+])CCC1)c1ccccc1O ZINC001331689258 989045925 /nfs/dbraw/zinc/04/59/25/989045925.db2.gz KYAVOJGJKGFKOU-VIFPVBQESA-N 1 0 234.299 1.451 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(N)cc2)[C@@H](C)CN1C ZINC001120371046 989638105 /nfs/dbraw/zinc/63/81/05/989638105.db2.gz NSKVUXFKFFFPJV-RYUDHWBXSA-N 1 0 233.359 1.793 20 10 BDCDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(N)cc1 ZINC001120371809 989645655 /nfs/dbraw/zinc/64/56/55/989645655.db2.gz RCSJKRMMKFDDSO-SNVBAGLBSA-N 1 0 235.331 1.225 20 10 BDCDRO CN(C(=O)[C@]12C[C@H]1CCC[NH2+]2)c1ccc(N)cc1 ZINC001122172593 990275665 /nfs/dbraw/zinc/27/56/65/990275665.db2.gz CVGINZDENWOQDU-YGRLFVJLSA-N 1 0 245.326 1.374 20 10 BDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001122535811 990408937 /nfs/dbraw/zinc/40/89/37/990408937.db2.gz IIEQYOQRWWPYLP-CHWSQXEVSA-N 1 0 247.342 1.273 20 10 BDCDRO C[NH+](C)C1CN(Cc2cccc(F)c2O)C1 ZINC001138122378 990883548 /nfs/dbraw/zinc/88/35/48/990883548.db2.gz ALLMICIZMFXKEK-UHFFFAOYSA-N 1 0 224.279 1.277 20 10 BDCDRO C[C@@H](O)[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC001560075187 991372047 /nfs/dbraw/zinc/37/20/47/991372047.db2.gz VUILRLCLBRBOLM-OPRDCNLKSA-N 1 0 209.289 1.812 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)[C@H](C)O)c1ccccc1O ZINC001560075184 991373149 /nfs/dbraw/zinc/37/31/49/991373149.db2.gz VUILRLCLBRBOLM-AEJSXWLSSA-N 1 0 209.289 1.812 20 10 BDCDRO C[N@H+](Cc1ccnnc1)Cc1ccccc1O ZINC001139984987 991462541 /nfs/dbraw/zinc/46/25/41/991462541.db2.gz GMBUIDHWOLQIFK-UHFFFAOYSA-N 1 0 229.283 1.814 20 10 BDCDRO CC[C@]1(C(=O)NCc2ccc(N)cc2)CC[NH2+]C1 ZINC001263303698 993215394 /nfs/dbraw/zinc/21/53/94/993215394.db2.gz FEOPTCIEFPXNDD-AWEZNQCLSA-N 1 0 247.342 1.275 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1O ZINC000384377887 993576331 /nfs/dbraw/zinc/57/63/31/993576331.db2.gz KMZMTKXJDKKYEH-CMPLNLGQSA-N 1 0 248.326 1.397 20 10 BDCDRO Cc1cc(Cl)cc(CN(C)CC(N)=O)c1O ZINC000271808247 178063059 /nfs/dbraw/zinc/06/30/59/178063059.db2.gz MUGHANAHWNSGSS-UHFFFAOYSA-N 1 0 242.706 1.271 20 10 BDCDRO Cc1cc(O)c(CN2CC(=O)N[C@@H](C)C2)cc1C ZINC000295127930 178196075 /nfs/dbraw/zinc/19/60/75/178196075.db2.gz YDFVELAZHNWKQZ-NSHDSACASA-N 1 0 248.326 1.329 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1O ZINC000228791610 398341724 /nfs/dbraw/zinc/34/17/24/398341724.db2.gz MJQPSMBSCAOCDA-XCBNKYQSSA-N 1 0 249.232 1.966 20 10 BDCDRO COC(=O)[C@@H](C)NCc1ccccc1O ZINC000042303999 344450097 /nfs/dbraw/zinc/45/00/97/344450097.db2.gz GFYYFTHUQFUFNK-MRVPVSSYSA-N 1 0 209.245 1.043 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCO[C@@H]2C)c1 ZINC000134245891 178797638 /nfs/dbraw/zinc/79/76/38/178797638.db2.gz VFKZRPZJNYHXJG-ZYHUDNBSSA-N 1 0 221.300 1.968 20 10 BDCDRO Cc1cccc(C[N@H+](C)CCC(N)=O)c1O ZINC000289839618 179064026 /nfs/dbraw/zinc/06/40/26/179064026.db2.gz UPJDYMVLLGJVOH-UHFFFAOYSA-N 1 0 222.288 1.008 20 10 BDCDRO Cc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1O ZINC000183467854 179073524 /nfs/dbraw/zinc/07/35/24/179073524.db2.gz SRZJGMJYESXUGC-UHFFFAOYSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1O ZINC000191718056 179081041 /nfs/dbraw/zinc/08/10/41/179081041.db2.gz QUOPUBDHHNCQKM-YPMHNXCESA-N 1 0 235.327 1.761 20 10 BDCDRO Cc1cccc(C[NH2+]CC2(C)COC2)c1O ZINC000162863229 179090129 /nfs/dbraw/zinc/09/01/29/179090129.db2.gz ZWPAEOLVTIEOLP-UHFFFAOYSA-N 1 0 221.300 1.827 20 10 BDCDRO CCN(CC)c1ccc(C[N@H+](C)CCO)cc1 ZINC000077253399 191006323 /nfs/dbraw/zinc/00/63/23/191006323.db2.gz YNXBWWFVZOLSFW-UHFFFAOYSA-N 1 0 236.359 1.957 20 10 BDCDRO Cc1noc(C)c1N(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638000681 351877239 /nfs/dbraw/zinc/87/72/39/351877239.db2.gz NZMFUSTWMNPKGH-SNVBAGLBSA-N 1 0 235.287 1.302 20 10 BDCDRO Cn1nccc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295771548 180845370 /nfs/dbraw/zinc/84/53/70/180845370.db2.gz AJSKLMAYEBDILO-GFCCVEGCSA-N 1 0 243.310 1.903 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CC[C@@H](O)C2)c1 ZINC000188839917 188348921 /nfs/dbraw/zinc/34/89/21/188348921.db2.gz SEALPYKZKNKIRV-WCQYABFASA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[C@H](O)C2)c1 ZINC000188839850 188348925 /nfs/dbraw/zinc/34/89/25/188348925.db2.gz SEALPYKZKNKIRV-YPMHNXCESA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(C[NH2+]CCCCO)c1O ZINC000193275265 188352469 /nfs/dbraw/zinc/35/24/69/188352469.db2.gz XIWMHYCSTYLKHI-UHFFFAOYSA-N 1 0 209.289 1.563 20 10 BDCDRO NC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000266123834 181191426 /nfs/dbraw/zinc/19/14/26/181191426.db2.gz NGZISJUPCYDRCJ-UHFFFAOYSA-N 1 0 219.288 1.254 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)N(C)C ZINC000296485260 364785598 /nfs/dbraw/zinc/78/55/98/364785598.db2.gz PHRCNGIOLKTTJG-ONGXEEELSA-N 1 0 248.326 1.446 20 10 BDCDRO Oc1ccc(F)cc1C[N@H+]1CCC[C@@H](O)CC1 ZINC000293913877 183274810 /nfs/dbraw/zinc/27/48/10/183274810.db2.gz GDWUSTCFANAFFI-GFCCVEGCSA-N 1 0 239.290 1.878 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCCOC1 ZINC000226593958 183275699 /nfs/dbraw/zinc/27/56/99/183275699.db2.gz HREXTJRWTBOYFA-LLVKDONJSA-N 1 0 225.263 1.800 20 10 BDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H](C)[NH3+] ZINC000156730083 169177266 /nfs/dbraw/zinc/17/72/66/169177266.db2.gz CKYQCISBHPCOCP-SNVBAGLBSA-N 1 0 236.315 1.478 20 10 BDCDRO Oc1cccc(Cl)c1CN1CC[NH2+]CC1 ZINC000082657484 183292349 /nfs/dbraw/zinc/29/23/49/183292349.db2.gz ORTBISNMVLPQGL-UHFFFAOYSA-N 1 0 226.707 1.451 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1C[C@@H](O)C1)CC2 ZINC000296013471 183296593 /nfs/dbraw/zinc/29/65/93/183296593.db2.gz RHOLVERVFLHICK-AXFHLTTASA-N 1 0 219.284 1.492 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]CCn1ccnc1)CC2 ZINC000295847758 183296695 /nfs/dbraw/zinc/29/66/95/183296695.db2.gz FYFAORUYZCJYMX-GFCCVEGCSA-N 1 0 243.310 1.866 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000252704714 183303113 /nfs/dbraw/zinc/30/31/13/183303113.db2.gz OCJYIOTZKSPAQR-HAQNSBGRSA-N 1 0 221.300 1.785 20 10 BDCDRO c1cc(C[NH2+]C[C@H]2CCCO2)cc2c1OCC2 ZINC000001743410 183368242 /nfs/dbraw/zinc/36/82/42/183368242.db2.gz IEYPWNCLKNXLKY-CYBMUJFWSA-N 1 0 233.311 1.890 20 10 BDCDRO CCC[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000262465458 169389032 /nfs/dbraw/zinc/38/90/32/169389032.db2.gz XRJDECQNEPDFMS-GFCCVEGCSA-N 1 0 235.331 1.055 20 10 BDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1cc(C)ccc1O ZINC000071265159 384156519 /nfs/dbraw/zinc/15/65/19/384156519.db2.gz LBIKVFCCIAOASP-MNOVXSKESA-N 1 0 239.315 1.359 20 10 BDCDRO COC[C@H](O)C[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000071264965 384157346 /nfs/dbraw/zinc/15/73/46/384157346.db2.gz YVMWENYSVJPPTL-WDEREUQCSA-N 1 0 239.315 1.359 20 10 BDCDRO CC[N@H+](CCO)Cc1cc(OC)ccc1O ZINC000132478122 384233825 /nfs/dbraw/zinc/23/38/25/384233825.db2.gz YMHVSTXJPSINHN-UHFFFAOYSA-N 1 0 225.288 1.215 20 10 BDCDRO COC[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000132743675 384246513 /nfs/dbraw/zinc/24/65/13/384246513.db2.gz AKCDPQCDSSTUHE-NSHDSACASA-N 1 0 221.300 1.861 20 10 BDCDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccccc1O ZINC000160624851 384311756 /nfs/dbraw/zinc/31/17/56/384311756.db2.gz OANJYQXZQWJKBY-VIFPVBQESA-N 1 0 209.289 1.641 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](C)CO)c1ccccc1O ZINC000083215432 384289973 /nfs/dbraw/zinc/28/99/73/384289973.db2.gz VZSFWQZCKKDXQX-VHSXEESVSA-N 1 0 209.289 1.671 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)O)c(O)c1 ZINC000035601541 384411466 /nfs/dbraw/zinc/41/14/66/384411466.db2.gz YPIMBHDITIXSNT-VHSXEESVSA-N 1 0 209.289 1.732 20 10 BDCDRO C[C@H]([NH2+]CCO)c1ccc(N(C)C)cc1 ZINC000037250488 384490524 /nfs/dbraw/zinc/49/05/24/384490524.db2.gz QRESTVSSBZKUFF-JTQLQIEISA-N 1 0 208.305 1.396 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]CCN(C)C)c(O)c1 ZINC000020083634 384573768 /nfs/dbraw/zinc/57/37/68/384573768.db2.gz QHSHPJAWVRHAMP-LLVKDONJSA-N 1 0 222.332 1.913 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1F ZINC000126331619 384793464 /nfs/dbraw/zinc/79/34/64/384793464.db2.gz JGLDZUNBJMBOIK-LLVKDONJSA-N 1 0 238.306 1.458 20 10 BDCDRO C/C=C/C[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000186534905 384850570 /nfs/dbraw/zinc/85/05/70/384850570.db2.gz ADFDMLPOGHAZDT-JDGPPOGSSA-N 1 0 239.290 1.948 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C(C)(C)CCO)c1 ZINC000127140685 384867602 /nfs/dbraw/zinc/86/76/02/384867602.db2.gz ASRZNOJRJMGWDY-UHFFFAOYSA-N 1 0 223.316 1.951 20 10 BDCDRO COC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000084857714 384902557 /nfs/dbraw/zinc/90/25/57/384902557.db2.gz ATQPUEVSRNENJM-UHFFFAOYSA-N 1 0 249.310 1.777 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000084933961 384905099 /nfs/dbraw/zinc/90/50/99/384905099.db2.gz AUOMXQXYXSTDNS-ZDUSSCGKSA-N 1 0 220.316 1.319 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CCC(O)CC2)c1 ZINC000128064924 384990809 /nfs/dbraw/zinc/99/08/09/384990809.db2.gz WELJOVWISRVLOJ-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO CSC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000188058267 385007304 /nfs/dbraw/zinc/00/73/04/385007304.db2.gz PIDAIOCMMSKTKQ-NSHDSACASA-N 1 0 241.356 1.548 20 10 BDCDRO C[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)CCCN2C ZINC000166475846 385247785 /nfs/dbraw/zinc/24/77/85/385247785.db2.gz REFLUVKDOILXFI-SNVBAGLBSA-N 1 0 247.342 1.032 20 10 BDCDRO C[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000193447876 385397176 /nfs/dbraw/zinc/39/71/76/385397176.db2.gz USNRPKRXNJGVIE-NSHDSACASA-N 1 0 222.332 1.565 20 10 BDCDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000179661008 385481460 /nfs/dbraw/zinc/48/14/60/385481460.db2.gz HFYCYAGMWGRWNV-LBPRGKRZSA-N 1 0 249.310 1.838 20 10 BDCDRO C[C@H](CCO)CC[NH2+]Cc1ccccc1O ZINC000295149505 385458726 /nfs/dbraw/zinc/45/87/26/385458726.db2.gz QZLUPBGCGRUVFY-NSHDSACASA-N 1 0 223.316 1.890 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@](C)(O)C2)cc1 ZINC000180183156 385511728 /nfs/dbraw/zinc/51/17/28/385511728.db2.gz FPSUVSZHBYXAFL-AWEZNQCLSA-N 1 0 234.343 1.709 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180425006 385523571 /nfs/dbraw/zinc/52/35/71/385523571.db2.gz STJAIKVZDFSFTA-LBPRGKRZSA-N 1 0 227.279 1.782 20 10 BDCDRO CCOC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000269665726 385620843 /nfs/dbraw/zinc/62/08/43/385620843.db2.gz VRZZZAMNXPWHKF-LBPRGKRZSA-N 1 0 239.315 1.221 20 10 BDCDRO C[C@H](O)C(C)(C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000161150614 385747459 /nfs/dbraw/zinc/74/74/59/385747459.db2.gz ZBZMWRPGZHGRHI-JTQLQIEISA-N 1 0 235.327 1.871 20 10 BDCDRO CN(Cc1cn[nH]n1)Cc1ccccc1O ZINC000284147973 385853772 /nfs/dbraw/zinc/85/37/72/385853772.db2.gz VQWRMGNWAJQXBW-UHFFFAOYSA-N 1 0 218.260 1.142 20 10 BDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000234890299 386113336 /nfs/dbraw/zinc/11/33/36/386113336.db2.gz VASWKLQCASEKSW-WDEREUQCSA-N 1 0 239.315 1.359 20 10 BDCDRO Cn1cncc1CC[N@H+](C)Cc1ccccc1O ZINC000289516722 386320822 /nfs/dbraw/zinc/32/08/22/386320822.db2.gz FTFDYVJGIWMNFF-UHFFFAOYSA-N 1 0 245.326 1.800 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCC(C)(C)O)c1 ZINC000274727159 386368239 /nfs/dbraw/zinc/36/82/39/386368239.db2.gz GPPCTFHHHUXURA-UHFFFAOYSA-N 1 0 223.316 1.951 20 10 BDCDRO COC[C@@](C)(CCO)[NH2+]Cc1ccccc1O ZINC000267315741 386527925 /nfs/dbraw/zinc/52/79/25/386527925.db2.gz DGVNNBVFUNXFSM-CYBMUJFWSA-N 1 0 239.315 1.269 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCCCO)cc1F ZINC000278807184 386587677 /nfs/dbraw/zinc/58/76/77/386587677.db2.gz SAIUFGANSFBHEN-UHFFFAOYSA-N 1 0 240.322 1.754 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCN3CCC2CC3)c1 ZINC000377630140 387733961 /nfs/dbraw/zinc/73/39/61/387733961.db2.gz SMMADERERHGCJI-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC2COC2)c1 ZINC000528023451 387829080 /nfs/dbraw/zinc/82/90/80/387829080.db2.gz DHPUXESYHZUPIT-VIFPVBQESA-N 1 0 237.299 1.698 20 10 BDCDRO CC[C@@H](COC)[NH2+]Cc1cccc(OC)c1O ZINC000079735375 387955928 /nfs/dbraw/zinc/95/59/28/387955928.db2.gz CVQYPTGWSQBTSH-NSHDSACASA-N 1 0 239.315 1.915 20 10 BDCDRO C[C@@H](O)C(C)(C)[NH2+]Cc1ccccc1O ZINC000160624988 388079235 /nfs/dbraw/zinc/07/92/35/388079235.db2.gz OANJYQXZQWJKBY-SECBINFHSA-N 1 0 209.289 1.641 20 10 BDCDRO COc1cccc(C[NH2+]CC23CC(C2)CO3)c1O ZINC000527790849 388700867 /nfs/dbraw/zinc/70/08/67/388700867.db2.gz WDNJZFQMOVWCRR-UHFFFAOYSA-N 1 0 249.310 1.669 20 10 BDCDRO Cc1n[nH]c(CC[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000272872767 389035004 /nfs/dbraw/zinc/03/50/04/389035004.db2.gz PDAYLXFRXONCDA-VIFPVBQESA-N 1 0 246.314 1.712 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295778199 170095838 /nfs/dbraw/zinc/09/58/38/170095838.db2.gz ARVMKWNVMYQGMP-GXSJLCMTSA-N 1 0 248.326 1.494 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295778212 170096165 /nfs/dbraw/zinc/09/61/65/170096165.db2.gz ARVMKWNVMYQGMP-ONGXEEELSA-N 1 0 248.326 1.494 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000271353986 171089311 /nfs/dbraw/zinc/08/93/11/171089311.db2.gz QACQIIMMPJLHIZ-HIFRSBDPSA-N 1 0 248.370 1.955 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1 ZINC000367604425 172552101 /nfs/dbraw/zinc/55/21/01/172552101.db2.gz SZYRUTPEEYHLAC-QKDCVEJESA-N 1 0 246.354 1.735 20 10 BDCDRO C[N@@H+]1CCCN(Cc2cc(F)ccc2O)CC1 ZINC000226561102 173016308 /nfs/dbraw/zinc/01/63/08/173016308.db2.gz JDWMRKIGGJPIAS-UHFFFAOYSA-N 1 0 238.306 1.669 20 10 BDCDRO CN1CC[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000042544498 173124118 /nfs/dbraw/zinc/12/41/18/173124118.db2.gz QIGSEKBNJUVJMG-LLVKDONJSA-N 1 0 240.734 1.839 20 10 BDCDRO CNC(=O)C[N@H+](C)Cc1ccc(N(C)C)c(C)c1 ZINC000293564917 173269298 /nfs/dbraw/zinc/26/92/98/173269298.db2.gz SFXPAVFBHZWWCM-UHFFFAOYSA-N 1 0 249.358 1.239 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000042560942 173303009 /nfs/dbraw/zinc/30/30/09/173303009.db2.gz FYXAICNZIWGREL-UWVGGRQHSA-N 1 0 236.315 1.486 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000042561811 173303328 /nfs/dbraw/zinc/30/33/28/173303328.db2.gz JHTVXEZBDCOCPM-MNOVXSKESA-N 1 0 249.358 1.538 20 10 BDCDRO COCCC[N@H+](CCO)Cc1ccccc1O ZINC000188934779 174224609 /nfs/dbraw/zinc/22/46/09/174224609.db2.gz OJLWWLNESWHUEG-UHFFFAOYSA-N 1 0 239.315 1.223 20 10 BDCDRO COCC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111305 174337976 /nfs/dbraw/zinc/33/79/76/174337976.db2.gz YKDWRNBLDPUVGG-QMMMGPOBSA-N 1 0 213.252 1.828 20 10 BDCDRO COCC[C@@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000281250721 174389227 /nfs/dbraw/zinc/38/92/27/174389227.db2.gz MMUBJFXLMWBYGH-LBPRGKRZSA-N 1 0 239.315 1.188 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1C ZINC000263706518 175111648 /nfs/dbraw/zinc/11/16/48/175111648.db2.gz HEQXRXNKNSZQLS-LBPRGKRZSA-N 1 0 248.326 1.324 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)[C@@H]2CCOC2)c1 ZINC000156097923 175157479 /nfs/dbraw/zinc/15/74/79/175157479.db2.gz IHPHSMCBXBVYCP-LLVKDONJSA-N 1 0 237.299 1.622 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCCCO)c1 ZINC000193280460 175158737 /nfs/dbraw/zinc/15/87/37/175158737.db2.gz MIFUFUGWPOZPRZ-UHFFFAOYSA-N 1 0 225.288 1.263 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@@H](C)CO)c1 ZINC000164726023 175158829 /nfs/dbraw/zinc/15/88/29/175158829.db2.gz WJEAKVSQMSCISL-VHSXEESVSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cc(C)no2)c1 ZINC000044986028 175159010 /nfs/dbraw/zinc/15/90/10/175159010.db2.gz PWMFSBRDWMHMKF-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000071300245 175159275 /nfs/dbraw/zinc/15/92/75/175159275.db2.gz JJYLVQHACNFNEI-CYBMUJFWSA-N 1 0 237.299 1.261 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CCCO)c1 ZINC000094942654 175159368 /nfs/dbraw/zinc/15/93/68/175159368.db2.gz BSDFBTAKMCZZMQ-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC[C@@H](C)OC)c1 ZINC000271901782 175159381 /nfs/dbraw/zinc/15/93/81/175159381.db2.gz VUEZREMUCJKYEG-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCO)c1 ZINC000020188107 175160644 /nfs/dbraw/zinc/16/06/44/175160644.db2.gz QSASMZUUAVLDHX-SECBINFHSA-N 1 0 225.288 1.434 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000294948201 175267179 /nfs/dbraw/zinc/26/71/79/175267179.db2.gz VSFHEAIPPJRHOG-AOOOYVTPSA-N 1 0 223.272 1.014 20 10 BDCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000135598906 175698900 /nfs/dbraw/zinc/69/89/00/175698900.db2.gz TWVJPNOMFUXRRD-NSHDSACASA-N 1 0 234.343 1.661 20 10 BDCDRO C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000892003277 582758775 /nfs/dbraw/zinc/75/87/75/582758775.db2.gz VAZMSBAGZWTBAE-NXEZZACHSA-N 1 0 249.314 1.114 20 10 BDCDRO C[C@H](C[NH3+])NC(=O)N[C@H](C)c1ccccc1O ZINC000892062817 582780886 /nfs/dbraw/zinc/78/08/86/582780886.db2.gz VSRCXCPRGJAOOB-RKDXNWHRSA-N 1 0 237.303 1.100 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](CO)CC(F)F ZINC000894567506 583485226 /nfs/dbraw/zinc/48/52/26/583485226.db2.gz RFCIFACKUACEMM-SECBINFHSA-N 1 0 245.269 1.806 20 10 BDCDRO CC[N@H+](CC(=O)NC)Cc1ccc(N(C)C)cc1 ZINC000726983799 583582950 /nfs/dbraw/zinc/58/29/50/583582950.db2.gz BNROFMYIDNBSQQ-UHFFFAOYSA-N 1 0 249.358 1.321 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895647330 583699056 /nfs/dbraw/zinc/69/90/56/583699056.db2.gz KGMAGGWWPYRVAZ-DGCLKSJQSA-N 1 0 219.284 1.267 20 10 BDCDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895647352 583699590 /nfs/dbraw/zinc/69/95/90/583699590.db2.gz KMJFXLOJHSACFK-UFBFGSQYSA-N 1 0 239.702 1.612 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000863484856 583992122 /nfs/dbraw/zinc/99/21/22/583992122.db2.gz NYUXJVCBLDKPRW-YPMHNXCESA-N 1 0 234.343 1.931 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897680529 584037819 /nfs/dbraw/zinc/03/78/19/584037819.db2.gz SGAMOMRIGLTCBV-GXFFZTMASA-N 1 0 235.327 1.767 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CN)cc1C ZINC000841063906 584127035 /nfs/dbraw/zinc/12/70/35/584127035.db2.gz SJSIAVBQSAWRRJ-JTQLQIEISA-N 1 0 208.305 1.446 20 10 BDCDRO CC[C@@H]1C(=O)NCCC[N@H+]1Cc1ccccc1O ZINC000898541693 584141432 /nfs/dbraw/zinc/14/14/32/584141432.db2.gz NZXQXZPQOWFOLK-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@@H]([NH2+]CCCON)c1ccc(N(C)C)cc1 ZINC000902421098 584592518 /nfs/dbraw/zinc/59/25/18/584592518.db2.gz NOLCRXQNWGMZBN-LLVKDONJSA-N 1 0 237.347 1.684 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1N[C@H]1CCc2cccc(O)c21 ZINC000902446228 584594138 /nfs/dbraw/zinc/59/41/38/584594138.db2.gz SSAZZMAUXADVQM-WCQYABFASA-N 1 0 246.354 1.967 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841076981 584761388 /nfs/dbraw/zinc/76/13/88/584761388.db2.gz VSPHSJXLLRAZLE-SFYZADRCSA-N 1 0 228.723 1.871 20 10 BDCDRO [NH3+][C@H](CNCc1ccc2c(c1)CCCO2)C1CC1 ZINC000904355462 584871155 /nfs/dbraw/zinc/87/11/55/584871155.db2.gz NYYSKDABVXZCNC-CQSZACIVSA-N 1 0 246.354 1.839 20 10 BDCDRO CN(C)c1ccc(/C=C/C[NH2+][C@@H]2CNOC2)cc1 ZINC000904423842 584880115 /nfs/dbraw/zinc/88/01/15/584880115.db2.gz JJSFFMXYNNPPFQ-ITDFMYJTSA-N 1 0 247.342 1.259 20 10 BDCDRO CCN(CC)c1ccc(C[NH2+][C@@H]2CNOC2)cc1 ZINC000904421348 584882140 /nfs/dbraw/zinc/88/21/40/584882140.db2.gz ZANDYRMQUSWSOG-CYBMUJFWSA-N 1 0 249.358 1.526 20 10 BDCDRO CCC[C@@](C)([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877079113 584889886 /nfs/dbraw/zinc/88/98/86/584889886.db2.gz QZVDAPZKJUYKPU-CYBMUJFWSA-N 1 0 235.331 1.749 20 10 BDCDRO OC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000734161534 584959067 /nfs/dbraw/zinc/95/90/67/584959067.db2.gz UFVURZPJAOODSH-ZDUSSCGKSA-N 1 0 233.311 1.482 20 10 BDCDRO C[NH2+]CCN[C@@H](C)c1ccc(C)c(C)c1O ZINC000817951068 584991961 /nfs/dbraw/zinc/99/19/61/584991961.db2.gz AWLZTZIGBHAJHS-NSHDSACASA-N 1 0 222.332 1.879 20 10 BDCDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1ccccc1O ZINC000817939749 584991969 /nfs/dbraw/zinc/99/19/69/584991969.db2.gz BMYSOVIDKKVCGA-WDEREUQCSA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817971846 584993326 /nfs/dbraw/zinc/99/33/26/584993326.db2.gz HTTHQUSQVAMYDZ-NKWVEPMBSA-N 1 0 230.258 1.668 20 10 BDCDRO OCC[N@H+](Cc1ccco1)Cc1ccccc1O ZINC000748818749 585196788 /nfs/dbraw/zinc/19/67/88/585196788.db2.gz YCEZIFXWBSBGPT-UHFFFAOYSA-N 1 0 247.294 1.980 20 10 BDCDRO OC[C@@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000754835029 585291370 /nfs/dbraw/zinc/29/13/70/585291370.db2.gz QZLMEJNYXYEXKS-CQSZACIVSA-N 1 0 247.338 1.872 20 10 BDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@@H]2O)C1CCC1 ZINC000768465362 585538968 /nfs/dbraw/zinc/53/89/68/585538968.db2.gz HJMXFSKNDLPILZ-ZDUSSCGKSA-N 1 0 249.310 1.802 20 10 BDCDRO NC(=O)C[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000770509483 585575154 /nfs/dbraw/zinc/57/51/54/585575154.db2.gz ATXWDGFGCAOVIG-GFCCVEGCSA-N 1 0 248.326 1.622 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)[C@@H](C)CN1C ZINC000775987309 585688669 /nfs/dbraw/zinc/68/86/69/585688669.db2.gz VKSQXHBMKHJWEF-NEPJUHHUSA-N 1 0 234.343 1.917 20 10 BDCDRO CN1CCC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000778949491 585742790 /nfs/dbraw/zinc/74/27/90/585742790.db2.gz JEKHFSJBIOWKSU-GFCCVEGCSA-N 1 0 248.326 1.445 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000785765156 585880095 /nfs/dbraw/zinc/88/00/95/585880095.db2.gz SLHXKDRMSNCWFD-RISCZKNCSA-N 1 0 234.343 1.565 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)[C@H]1C ZINC000787420565 585909209 /nfs/dbraw/zinc/90/92/09/585909209.db2.gz IYECOHSCTKIPNA-JQWIXIFHSA-N 1 0 249.310 1.776 20 10 BDCDRO CCOc1ccc(C[N@H+](C)[C@@H](C)CO)c(O)c1 ZINC000809743445 586515747 /nfs/dbraw/zinc/51/57/47/586515747.db2.gz ZZPIJSBDXLWBIM-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO Cc1cccc(C[N@H+](C)C[C@H](O)C2CC2)c1O ZINC000809753137 586517940 /nfs/dbraw/zinc/51/79/40/586517940.db2.gz ZTMOTTLEOGNJLE-ZDUSSCGKSA-N 1 0 235.327 1.903 20 10 BDCDRO CC[C@H](C[NH2+]Cc1c(O)cccc1OC)OC ZINC000810175679 586535981 /nfs/dbraw/zinc/53/59/81/586535981.db2.gz AZOWBLQQJVVTEN-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc3c(cc2O)OCO3)[C@H]1C ZINC000816647976 586750541 /nfs/dbraw/zinc/75/05/41/586750541.db2.gz BNZVJOYIFQIKHK-BDAKNGLRSA-N 1 0 235.283 1.961 20 10 BDCDRO C[C@H]1C[C@H](NCC[NH3+])c2c1c(F)ccc2O ZINC000817935452 586842923 /nfs/dbraw/zinc/84/29/23/586842923.db2.gz WERXVXVPVNSXCG-CBAPKCEASA-N 1 0 224.279 1.628 20 10 BDCDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1ccc(F)cc1O ZINC000817951226 586847487 /nfs/dbraw/zinc/84/74/87/586847487.db2.gz BXLWVNNXVCZYHA-MWLCHTKSSA-N 1 0 238.306 1.934 20 10 BDCDRO CC[NH2+]CCN[C@H]1CCc2cccc(O)c21 ZINC000817951316 586847540 /nfs/dbraw/zinc/84/75/40/586847540.db2.gz DFHHVKYRHCWEJQ-NSHDSACASA-N 1 0 220.316 1.579 20 10 BDCDRO C[NH2+]CCN[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817953169 586848542 /nfs/dbraw/zinc/84/85/42/586848542.db2.gz OAGOLQLPSXRSIJ-NSHDSACASA-N 1 0 221.348 1.623 20 10 BDCDRO Cc1ccc([C@@H](C)NC2C[NH2+]C2)c(O)c1 ZINC000817956024 586849904 /nfs/dbraw/zinc/84/99/04/586849904.db2.gz NXMPIXVXOFYDTE-SECBINFHSA-N 1 0 206.289 1.323 20 10 BDCDRO CCN(C)c1ccc([C@@H](C)NC2C[NH2+]C2)cc1 ZINC000817955600 586850001 /nfs/dbraw/zinc/85/00/01/586850001.db2.gz ZRKJYVDWVWGWQC-LLVKDONJSA-N 1 0 233.359 1.765 20 10 BDCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1ncc[nH]1 ZINC000817956757 586850475 /nfs/dbraw/zinc/85/04/75/586850475.db2.gz CEZXVQSHYVOATR-JTQLQIEISA-N 1 0 230.315 1.885 20 10 BDCDRO C[C@H](C[NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817961664 586853141 /nfs/dbraw/zinc/85/31/41/586853141.db2.gz BXTVQJUKHQXSBW-SFYZADRCSA-N 1 0 244.285 1.916 20 10 BDCDRO C[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817964892 586853629 /nfs/dbraw/zinc/85/36/29/586853629.db2.gz IPPLOYFJABWOTR-ZETCQYMHSA-N 1 0 242.269 1.540 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H](C)CN)c(O)c1 ZINC000817966297 586855412 /nfs/dbraw/zinc/85/54/12/586855412.db2.gz KXZSUOZHJSOMTJ-ZJUUUORDSA-N 1 0 208.305 1.698 20 10 BDCDRO C[C@@H](CN)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000817969660 586856606 /nfs/dbraw/zinc/85/66/06/586856606.db2.gz GFAGOWMBBNIUMJ-WPRPVWTQSA-N 1 0 206.289 1.316 20 10 BDCDRO C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972905 586859699 /nfs/dbraw/zinc/85/96/99/586859699.db2.gz PJHRPWAXMIJZCF-SFYZADRCSA-N 1 0 239.275 1.298 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000818236325 586881512 /nfs/dbraw/zinc/88/15/12/586881512.db2.gz PJUVEIQOJSWEIN-LLVKDONJSA-N 1 0 237.299 1.669 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H](O)[C@H]2C)c1O ZINC000825103981 587304442 /nfs/dbraw/zinc/30/44/42/587304442.db2.gz JOMPPJSJJFXIJL-ZYHUDNBSSA-N 1 0 221.300 1.656 20 10 BDCDRO COc1cccc(C[NH2+]C2([C@H](C)O)CC2)c1O ZINC000827579946 587389656 /nfs/dbraw/zinc/38/96/56/587389656.db2.gz MOIAUYWMGKSNME-VIFPVBQESA-N 1 0 237.299 1.404 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C2([C@H](C)O)CC2)c1 ZINC000827585277 587390495 /nfs/dbraw/zinc/39/04/95/587390495.db2.gz DNBDZOYFMBCWHO-VIFPVBQESA-N 1 0 237.299 1.404 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccccc1O ZINC000827977948 587414370 /nfs/dbraw/zinc/41/43/70/587414370.db2.gz DARVTNUONIKZOJ-JQWIXIFHSA-N 1 0 248.326 1.664 20 10 BDCDRO Nc1ccc(NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000832244830 587652353 /nfs/dbraw/zinc/65/23/53/587652353.db2.gz ZJNJCTSMRYSGAC-LLVKDONJSA-N 1 0 219.288 1.335 20 10 BDCDRO CC(C)[C@H]([NH3+])CNCc1ccc(N(C)C)cc1 ZINC000841028882 587935874 /nfs/dbraw/zinc/93/58/74/587935874.db2.gz JVHIRSOODRLMKL-CQSZACIVSA-N 1 0 235.375 1.826 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H](CN)C2CC2)cc1C ZINC000841027658 587936335 /nfs/dbraw/zinc/93/63/35/587936335.db2.gz DTYZWRVHVPQZRY-ZDUSSCGKSA-N 1 0 234.343 1.836 20 10 BDCDRO [NH3+]C[C@@H](NCc1ccc2c(c1)CCO2)C1CC1 ZINC000841028684 587936359 /nfs/dbraw/zinc/93/63/59/587936359.db2.gz QSCGWDHUPPQQSD-CYBMUJFWSA-N 1 0 232.327 1.448 20 10 BDCDRO [NH3+]C[C@H](NCc1ccc2c(c1)CCO2)C1CC1 ZINC000841028687 587936536 /nfs/dbraw/zinc/93/65/36/587936536.db2.gz QSCGWDHUPPQQSD-ZDUSSCGKSA-N 1 0 232.327 1.448 20 10 BDCDRO C[C@@H]1OCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841033805 587936939 /nfs/dbraw/zinc/93/69/39/587936939.db2.gz BJOZTJLHIXCFEN-GXFFZTMASA-N 1 0 220.316 1.578 20 10 BDCDRO Oc1ccc(F)cc1CNC[C@@H]1CCCC[NH2+]1 ZINC000841032990 587937228 /nfs/dbraw/zinc/93/72/28/587937228.db2.gz LJCDORZLEHISME-LBPRGKRZSA-N 1 0 238.306 1.763 20 10 BDCDRO CC[NH2+]CCNCc1cc(Cl)ccc1O ZINC000841037723 587937820 /nfs/dbraw/zinc/93/78/20/587937820.db2.gz UHRKSNZKXNNEHQ-UHFFFAOYSA-N 1 0 228.723 1.745 20 10 BDCDRO COc1ccc(O)c(CN[C@H]2CCC[NH2+]C2)c1 ZINC000841042260 587938366 /nfs/dbraw/zinc/93/83/66/587938366.db2.gz HQOPMCQRAFBVIG-NSHDSACASA-N 1 0 236.315 1.242 20 10 BDCDRO CCOc1cccc(CN[C@H]2CC[NH2+]C2)c1O ZINC000841045088 587939032 /nfs/dbraw/zinc/93/90/32/587939032.db2.gz OFGVIADWYRCUCC-NSHDSACASA-N 1 0 236.315 1.242 20 10 BDCDRO C[C@H](CC[NH3+])[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841052679 587939728 /nfs/dbraw/zinc/93/97/28/587939728.db2.gz VVINBLGSRHCNNJ-MRVPVSSYSA-N 1 0 228.723 1.873 20 10 BDCDRO C[C@@H](CC[NH3+])[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841052680 587940107 /nfs/dbraw/zinc/94/01/07/587940107.db2.gz VVINBLGSRHCNNJ-QMMMGPOBSA-N 1 0 228.723 1.873 20 10 BDCDRO C[C@H](C[NH3+])C[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841049790 587940216 /nfs/dbraw/zinc/94/02/16/587940216.db2.gz WKFULCNIHXSPNW-MRVPVSSYSA-N 1 0 228.723 1.730 20 10 BDCDRO NCC(F)(F)CNCc1cc(F)ccc1O ZINC000841059412 587940603 /nfs/dbraw/zinc/94/06/03/587940603.db2.gz CEJPALPAYWWWDL-UHFFFAOYSA-N 1 0 234.221 1.215 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1cc(F)ccc1O ZINC000841058451 587940888 /nfs/dbraw/zinc/94/08/88/587940888.db2.gz HEMWVDSLODJIKO-BXKDBHETSA-N 1 0 238.306 1.619 20 10 BDCDRO CC1([NH2+]Cc2cccc(F)c2[O-])CC[NH2+]CC1 ZINC000841065900 587941397 /nfs/dbraw/zinc/94/13/97/587941397.db2.gz UVQZBUWRHKPAST-UHFFFAOYSA-N 1 0 238.306 1.763 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H](C)CN)cc1C ZINC000841060189 587941941 /nfs/dbraw/zinc/94/19/41/587941941.db2.gz SJSIAVBQSAWRRJ-SNVBAGLBSA-N 1 0 208.305 1.446 20 10 BDCDRO Cc1cc(Cl)cc(CN(C)CC[NH3+])c1O ZINC000841100955 587946581 /nfs/dbraw/zinc/94/65/81/587946581.db2.gz PVGJSPYIGOTONO-UHFFFAOYSA-N 1 0 228.723 1.745 20 10 BDCDRO C[C@@]1(C(=O)Nc2ccc(N)cc2)CCC[NH2+]1 ZINC000841846544 587977395 /nfs/dbraw/zinc/97/73/95/587977395.db2.gz PPFBMUNICVVGLD-LBPRGKRZSA-N 1 0 219.288 1.349 20 10 BDCDRO C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)[C@H](C)C[NH2+]1 ZINC000841849468 587977673 /nfs/dbraw/zinc/97/76/73/587977673.db2.gz WHRDXWPTDQCMCG-GHMZBOCLSA-N 1 0 247.342 1.020 20 10 BDCDRO C[NH2+][C@@H](C)Cc1noc(Cc2ccc(N)cc2)n1 ZINC000842621743 588046370 /nfs/dbraw/zinc/04/63/70/588046370.db2.gz DBADWBBFVQFGAL-VIFPVBQESA-N 1 0 246.314 1.393 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2cccc(F)c2O)C1 ZINC000843044768 588075655 /nfs/dbraw/zinc/07/56/55/588075655.db2.gz IMSPVWDWYOWXCH-SNVBAGLBSA-N 1 0 224.279 1.325 20 10 BDCDRO CCOc1ccc(CN2CC[NH2+]CC2)c(O)c1 ZINC000843044888 588076096 /nfs/dbraw/zinc/07/60/96/588076096.db2.gz KRQGWNPVHAZIBP-UHFFFAOYSA-N 1 0 236.315 1.196 20 10 BDCDRO CN(C)c1ccc(/C=C\CN2CC[C@H]([NH3+])C2)cc1 ZINC000843047405 588076327 /nfs/dbraw/zinc/07/63/27/588076327.db2.gz UKACUYQNMRELBJ-NQHOJNORSA-N 1 0 245.370 1.799 20 10 BDCDRO CN(Cc1cccc(F)c1O)[C@H]1CC[NH2+]C1 ZINC000843048954 588076626 /nfs/dbraw/zinc/07/66/26/588076626.db2.gz BRFZVVXYRGPXDE-JTQLQIEISA-N 1 0 224.279 1.325 20 10 BDCDRO COc1cccc(O)c1CN(C)[C@@H](C)C[NH3+] ZINC000843052293 588077164 /nfs/dbraw/zinc/07/71/64/588077164.db2.gz SHOOHMOFDFWMAL-VIFPVBQESA-N 1 0 224.304 1.180 20 10 BDCDRO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843058046 588077886 /nfs/dbraw/zinc/07/78/86/588077886.db2.gz NZRRFYRTVYDVOW-UWVGGRQHSA-N 1 0 238.306 1.700 20 10 BDCDRO Oc1ccccc1CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000843104943 588081781 /nfs/dbraw/zinc/08/17/81/588081781.db2.gz NUGUIHJKLKCIMC-BETUJISGSA-N 1 0 232.327 1.719 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CO)c1O ZINC000846145173 588258418 /nfs/dbraw/zinc/25/84/18/588258418.db2.gz OZECMJFTQYRFQV-BDAKNGLRSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]CC[C@@H](C)O)c1O ZINC000846147947 588258797 /nfs/dbraw/zinc/25/87/97/588258797.db2.gz WFSPZEKLITUWHP-NXEZZACHSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@@H]2CCOC2)c1O ZINC000846158497 588258864 /nfs/dbraw/zinc/25/88/64/588258864.db2.gz ZWTBGEHJIMZEKJ-VHSXEESVSA-N 1 0 237.299 1.840 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c(O)c1 ZINC000846189517 588259489 /nfs/dbraw/zinc/25/94/89/588259489.db2.gz MBNFLZPEEPBSGG-GARJFASQSA-N 1 0 248.326 1.615 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000846661765 588281419 /nfs/dbraw/zinc/28/14/19/588281419.db2.gz GDPWTPNRDGVVSB-QWHCGFSZSA-N 1 0 245.326 1.738 20 10 BDCDRO Nc1ccc(CC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000846690371 588283240 /nfs/dbraw/zinc/28/32/40/588283240.db2.gz BRZFYIJHAVQUJL-UHFFFAOYSA-N 1 0 247.342 1.057 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)c1O ZINC000848900196 588417885 /nfs/dbraw/zinc/41/78/85/588417885.db2.gz CWJWVAUTDNJMAW-SMDDNHRTSA-N 1 0 247.338 1.981 20 10 BDCDRO CCc1cccc(C[N@@H+]2CC[C@@](C)(O)C2)c1O ZINC000848890285 588418038 /nfs/dbraw/zinc/41/80/38/588418038.db2.gz RMSDREBCBMOGIO-CQSZACIVSA-N 1 0 235.327 1.911 20 10 BDCDRO [NH2+]=C(NCc1ccccc1O)N1CCCCC1 ZINC000848984803 588424779 /nfs/dbraw/zinc/42/47/79/588424779.db2.gz FLNVIZMNRYHLSX-UHFFFAOYSA-N 1 0 233.315 1.902 20 10 BDCDRO C[C@H]1C[NH+]=C(NCc2cc(Cl)ccc2O)N1 ZINC000849050321 588451806 /nfs/dbraw/zinc/45/18/06/588451806.db2.gz ZJKXSLSGLIFXDW-ZETCQYMHSA-N 1 0 239.706 1.483 20 10 BDCDRO COc1ccc(O)c(CNC2=[NH+]CCCCN2)c1 ZINC000849215788 588462343 /nfs/dbraw/zinc/46/23/43/588462343.db2.gz CVPJRZVRWZZMFH-UHFFFAOYSA-N 1 0 249.314 1.230 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C/C=C\CO)cc1F ZINC000850357209 588538553 /nfs/dbraw/zinc/53/85/53/588538553.db2.gz BBVJNSODNRTLCL-ARJAWSKDSA-N 1 0 238.306 1.530 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2nccn2C)c1 ZINC000109380971 588558872 /nfs/dbraw/zinc/55/88/72/588558872.db2.gz JEINLZJHPJVFNI-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO COC(CC[N@H+](C)Cc1ccccc1O)OC ZINC000851841705 588634186 /nfs/dbraw/zinc/63/41/86/588634186.db2.gz WVMVLAHIRIJNHS-UHFFFAOYSA-N 1 0 239.315 1.833 20 10 BDCDRO Nc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000852789795 588702677 /nfs/dbraw/zinc/70/26/77/588702677.db2.gz GLSKSTLRAAMXNZ-UHFFFAOYSA-N 1 0 245.326 1.882 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(C)ccc1O ZINC000863484410 589293030 /nfs/dbraw/zinc/29/30/30/589293030.db2.gz YFXIUHMHCNKXCT-QWHCGFSZSA-N 1 0 234.343 1.931 20 10 BDCDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1O ZINC000863547802 589298549 /nfs/dbraw/zinc/29/85/49/589298549.db2.gz ZQQKIENLKOAHPA-VDDIYKPWSA-N 1 0 238.306 1.932 20 10 BDCDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccc(N(C)C)cc1 ZINC000864450604 589364062 /nfs/dbraw/zinc/36/40/62/589364062.db2.gz RFFORTBKPRJUPR-ZWNOBZJWSA-N 1 0 246.358 1.775 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](CO)C1 ZINC000865662468 589454855 /nfs/dbraw/zinc/45/48/55/589454855.db2.gz CKTCTHUHIJKBLH-AOOOYVTPSA-N 1 0 237.299 1.261 20 10 BDCDRO COc1ccc(N(CC[NH3+])CC2CC2)cc1 ZINC000866672577 589510885 /nfs/dbraw/zinc/51/08/85/589510885.db2.gz OKUHZXNKYAAVKY-UHFFFAOYSA-N 1 0 220.316 1.870 20 10 BDCDRO C[C@@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1ccccc1O ZINC000870988617 589706685 /nfs/dbraw/zinc/70/66/85/589706685.db2.gz VATPWBINCHFODC-ZJUUUORDSA-N 1 0 248.326 1.710 20 10 BDCDRO C[C@H](NC(=O)CCC[NH3+])c1ccccc1O ZINC000870988686 589706958 /nfs/dbraw/zinc/70/69/58/589706958.db2.gz XAQRCQKSQXCKRE-VIFPVBQESA-N 1 0 222.288 1.308 20 10 BDCDRO C[C@@H](NC(=O)C[C@H](C)[NH3+])c1ccccc1O ZINC000870987714 589706967 /nfs/dbraw/zinc/70/69/67/589706967.db2.gz BBDQFDQURIUISO-DTWKUNHWSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1ccccc1O ZINC000870988029 589707000 /nfs/dbraw/zinc/70/70/00/589707000.db2.gz DNYXHLDNZJFTSV-CABZTGNLSA-N 1 0 248.326 1.567 20 10 BDCDRO C[C@H](C[NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988428 589707007 /nfs/dbraw/zinc/70/70/07/589707007.db2.gz PBKVOIUTUIXQBN-RKDXNWHRSA-N 1 0 222.288 1.164 20 10 BDCDRO C[C@H]1CN(Cc2ccccc2O)C[C@H](C)[NH2+]1 ZINC000019366943 589889447 /nfs/dbraw/zinc/88/94/47/589889447.db2.gz LHONBGORYCTZFI-QWRGUYRKSA-N 1 0 220.316 1.574 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872265248 589901944 /nfs/dbraw/zinc/90/19/44/589901944.db2.gz GEQKXLILUNODFG-TXEJJXNPSA-N 1 0 233.311 1.779 20 10 BDCDRO C[S@](=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000124176648 589957963 /nfs/dbraw/zinc/95/79/63/589957963.db2.gz JIANMAWXBVUSJN-OAHLLOKOSA-N 1 0 247.747 1.514 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cccc(F)c2[O-])C[C@H]1C[NH3+] ZINC000873216547 589997848 /nfs/dbraw/zinc/99/78/48/589997848.db2.gz QEJHFQGAHXODOZ-MWLCHTKSSA-N 1 0 238.306 1.558 20 10 BDCDRO COc1ccc(N(C)C[C@@H](C)[NH3+])cc1OC ZINC000020239524 590091042 /nfs/dbraw/zinc/09/10/42/590091042.db2.gz MFZJCCQHUWCDMR-SECBINFHSA-N 1 0 224.304 1.487 20 10 BDCDRO C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(N)cc2)C1 ZINC000876504302 590204027 /nfs/dbraw/zinc/20/40/27/590204027.db2.gz MEEFZWSMLJNFRZ-JTQLQIEISA-N 1 0 233.315 1.549 20 10 BDCDRO C[NH+](C)CC1(C(=O)Nc2ccc(N)cc2)CC1 ZINC000876504419 590204051 /nfs/dbraw/zinc/20/40/51/590204051.db2.gz NDIRAGDBMMQFTQ-UHFFFAOYSA-N 1 0 233.315 1.549 20 10 BDCDRO Cc1ccc(C[N@@H+](CCO)C(C)C)c(O)c1 ZINC000876539113 590212231 /nfs/dbraw/zinc/21/22/31/590212231.db2.gz VIYCZDPGIHIYOC-UHFFFAOYSA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC000876561253 590215715 /nfs/dbraw/zinc/21/57/15/590215715.db2.gz PEGNFHSLERUCNX-LLVKDONJSA-N 1 0 207.273 1.267 20 10 BDCDRO Cc1ccc(C[N@@H+](C)CC(C)(C)O)c(O)c1 ZINC000876736909 590234375 /nfs/dbraw/zinc/23/43/75/590234375.db2.gz MRRXVNXANYSWSV-UHFFFAOYSA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)CC(C)(C)O ZINC000876737275 590235253 /nfs/dbraw/zinc/23/52/53/590235253.db2.gz PHWQNPFRIUAZOF-UHFFFAOYSA-N 1 0 223.316 1.903 20 10 BDCDRO CN(C(=O)/C=C/[C@H]1CCC[NH2+]C1)c1cccnc1 ZINC000876766040 590239675 /nfs/dbraw/zinc/23/96/75/590239675.db2.gz ZTLOXDSJASBJHS-NNNHXZLVSA-N 1 0 245.326 1.600 20 10 BDCDRO Cc1ccc2c(c1)CCN2C(=O)C1=CC[C@H]([NH3+])C1 ZINC000876883957 590253804 /nfs/dbraw/zinc/25/38/04/590253804.db2.gz CXABOJABIWPAMM-ZDUSSCGKSA-N 1 0 242.322 1.932 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCO1 ZINC000876890189 590254237 /nfs/dbraw/zinc/25/42/37/590254237.db2.gz WVACMIWOMZWSEF-NSHDSACASA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2nncn2C)c(O)c1 ZINC000876929104 590258252 /nfs/dbraw/zinc/25/82/52/590258252.db2.gz GSIYYOSJVBNHHF-UHFFFAOYSA-N 1 0 232.287 1.119 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2COCCO2)c(O)c1 ZINC000876951892 590260200 /nfs/dbraw/zinc/26/02/00/590260200.db2.gz QRNSJVHRUIEJGY-GFCCVEGCSA-N 1 0 237.299 1.206 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCN1C ZINC000876985693 590265401 /nfs/dbraw/zinc/26/54/01/590265401.db2.gz MSIRUNSCHBAPHN-LBPRGKRZSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1nccn1CC[NH2+]Cc1c(C)cccc1O ZINC000876990702 590266227 /nfs/dbraw/zinc/26/62/27/590266227.db2.gz AGJUDOMVDWNSBD-UHFFFAOYSA-N 1 0 245.326 1.995 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1c(C)cccc1O ZINC000877055584 590275777 /nfs/dbraw/zinc/27/57/77/590275777.db2.gz QIFCVYKRHSAHDW-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)CCO ZINC000877067472 590276720 /nfs/dbraw/zinc/27/67/20/590276720.db2.gz IEBWARNXZFDFQH-SNVBAGLBSA-N 1 0 223.316 1.809 20 10 BDCDRO CN(C(=O)[C@H]1[NH2+]CCC1(C)C)c1ccc(N)cc1 ZINC000877074289 590278177 /nfs/dbraw/zinc/27/81/77/590278177.db2.gz FPLVYLHXGOKNNN-GFCCVEGCSA-N 1 0 247.342 1.620 20 10 BDCDRO CN(C(=O)CC[C@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000877077941 590279326 /nfs/dbraw/zinc/27/93/26/590279326.db2.gz WVFYBMDLYARNKZ-NSHDSACASA-N 1 0 247.342 1.621 20 10 BDCDRO CN(C(=O)[C@]1(C)CCC[NH2+]C1)c1ccc(N)cc1 ZINC000877077754 590279378 /nfs/dbraw/zinc/27/93/78/590279378.db2.gz SUJSTOZSXNYRKD-CQSZACIVSA-N 1 0 247.342 1.621 20 10 BDCDRO COCC1([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877109610 590286585 /nfs/dbraw/zinc/28/65/85/590286585.db2.gz CSUCXPUETCGYIQ-UHFFFAOYSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)C(=O)N(C)C)c(O)c1 ZINC000877158592 590294142 /nfs/dbraw/zinc/29/41/42/590294142.db2.gz VBJIQQPCHKDIPN-SNVBAGLBSA-N 1 0 236.315 1.267 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c(O)c1 ZINC000877183263 590298145 /nfs/dbraw/zinc/29/81/45/590298145.db2.gz BECMAKMANVUXGM-VXGBXAGGSA-N 1 0 235.327 1.903 20 10 BDCDRO CC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000877255648 590304418 /nfs/dbraw/zinc/30/44/18/590304418.db2.gz GMNNGZXJLSKZIH-NXEZZACHSA-N 1 0 236.315 1.567 20 10 BDCDRO Cc1ccc(C[N@@H+](C)CC2(CO)CC2)c(O)c1 ZINC000877462842 590333049 /nfs/dbraw/zinc/33/30/49/590333049.db2.gz WBBBDKBWLPGVHS-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2C)c(O)c1 ZINC000877468071 590333620 /nfs/dbraw/zinc/33/36/20/590333620.db2.gz YCMCPUSIMCDOAG-PWSUYJOCSA-N 1 0 221.300 1.656 20 10 BDCDRO CCc1nnc(C[NH2+]Cc2c(C)cccc2O)[nH]1 ZINC000877555427 590357078 /nfs/dbraw/zinc/35/70/78/590357078.db2.gz XUYXXNWZLRYFFJ-UHFFFAOYSA-N 1 0 246.314 1.671 20 10 BDCDRO CCN1C[C@H]([NH2+]Cc2c(C)cccc2O)CC1=O ZINC000877567535 590361469 /nfs/dbraw/zinc/36/14/69/590361469.db2.gz NWDIFXVPPYNSOM-LLVKDONJSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(C[NH+]2CC(C)(O)C2)c1O ZINC000877581230 590366178 /nfs/dbraw/zinc/36/61/78/590366178.db2.gz RPRKGJZYPCTSCX-UHFFFAOYSA-N 1 0 207.273 1.267 20 10 BDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877641476 590382715 /nfs/dbraw/zinc/38/27/15/590382715.db2.gz VPOOJKYHODNENB-XYPYZODXSA-N 1 0 249.310 1.742 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1cnn[nH]1 ZINC000877649282 590383588 /nfs/dbraw/zinc/38/35/88/590383588.db2.gz SKJUNNCLPVVCLF-UHFFFAOYSA-N 1 0 218.260 1.109 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCNC(=O)C2)c1 ZINC000877652569 590385210 /nfs/dbraw/zinc/38/52/10/590385210.db2.gz KUTZFJIOQNROJL-LBPRGKRZSA-N 1 0 248.326 1.459 20 10 BDCDRO CC1([NH2+]Cc2cc(Cl)ccc2O)COC1 ZINC000877691245 590393094 /nfs/dbraw/zinc/39/30/94/590393094.db2.gz LUHVAVUMGLRMJC-UHFFFAOYSA-N 1 0 227.691 1.924 20 10 BDCDRO COC[C@@H](C)C[N@@H+]1Cc2cccc(O)c2C1 ZINC000877702602 590395625 /nfs/dbraw/zinc/39/56/25/590395625.db2.gz DFKYLZKIRSRUKK-JTQLQIEISA-N 1 0 221.300 1.990 20 10 BDCDRO COC(=O)C1(C[NH2+][C@H](C)c2ccccc2O)CC1 ZINC000879649422 590841939 /nfs/dbraw/zinc/84/19/39/590841939.db2.gz SAMRMIONVJDZQL-SNVBAGLBSA-N 1 0 249.310 1.996 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000128091939 590892459 /nfs/dbraw/zinc/89/24/59/590892459.db2.gz MZBRNXNWXONPHB-LLVKDONJSA-N 1 0 207.273 1.267 20 10 BDCDRO [NH3+]C1CCN(Cc2c(O)cccc2Cl)CC1 ZINC000128314004 590978078 /nfs/dbraw/zinc/97/80/78/590978078.db2.gz LWBZJXQERJHQKH-UHFFFAOYSA-N 1 0 240.734 1.969 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880419992 591028675 /nfs/dbraw/zinc/02/86/75/591028675.db2.gz VKXGUSVDAHKMIH-JSGCOSHPSA-N 1 0 232.327 1.319 20 10 BDCDRO OCCC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000133054810 591761713 /nfs/dbraw/zinc/76/17/13/591761713.db2.gz NZYURPZOSSWJOP-UHFFFAOYSA-N 1 0 221.300 1.644 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC1CC1 ZINC000135718912 592033680 /nfs/dbraw/zinc/03/36/80/592033680.db2.gz WGDJEZFLUWTWHE-VHSXEESVSA-N 1 0 248.326 1.710 20 10 BDCDRO C[C@@H](CC[NH3+])[NH2+]Cc1ccc(N(C)C)cc1 ZINC000220487160 592313088 /nfs/dbraw/zinc/31/30/88/592313088.db2.gz CWAGDRJHWMUWLU-NSHDSACASA-N 1 0 221.348 1.580 20 10 BDCDRO COCC(C)(C)[NH2+]Cc1cccc(OC)c1O ZINC000066995942 635401963 /nfs/dbraw/zinc/40/19/63/635401963.db2.gz KMLFEPAXGXMSAD-UHFFFAOYSA-N 1 0 239.315 1.915 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925866964 635573398 /nfs/dbraw/zinc/57/33/98/635573398.db2.gz XQXMNSXBMVJELC-CMPLNLGQSA-N 1 0 235.331 1.307 20 10 BDCDRO C[C@H](O)CC[NH2+]Cc1ccc(N(C)C)cc1 ZINC000078781963 631349013 /nfs/dbraw/zinc/34/90/13/631349013.db2.gz CAJXPPQLMNJJOA-NSHDSACASA-N 1 0 222.332 1.613 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCO)c1 ZINC000096811522 635634743 /nfs/dbraw/zinc/63/47/43/635634743.db2.gz ZISTXWGGXPRHQK-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO CC(C)([NH3+])CNCc1ccc2c(c1)CCO2 ZINC000258936124 631687789 /nfs/dbraw/zinc/68/77/89/631687789.db2.gz VWUUINUWKFGCIT-UHFFFAOYSA-N 1 0 220.316 1.448 20 10 BDCDRO CC(C)NC(=[NH2+])NCc1ccccc1O ZINC000309115328 631887691 /nfs/dbraw/zinc/88/76/91/631887691.db2.gz QIYSPKPNUNSZFY-UHFFFAOYSA-N 1 0 207.277 1.415 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)CC[NH3+] ZINC000237056587 635730310 /nfs/dbraw/zinc/73/03/10/635730310.db2.gz GWZJKHKPFDFUFD-UHFFFAOYSA-N 1 0 235.331 1.026 20 10 BDCDRO COCC[C@H](COC)[NH2+]Cc1ccccc1O ZINC000310590941 632760156 /nfs/dbraw/zinc/76/01/56/632760156.db2.gz ZEOLLIZVFSGPBM-GFCCVEGCSA-N 1 0 239.315 1.533 20 10 BDCDRO C[C@H]1C[C@@H](C(=O)NCc2ccccc2O)CC[NH2+]1 ZINC000235693778 632815866 /nfs/dbraw/zinc/81/58/66/632815866.db2.gz JIHNZNOYCXUVCU-QWRGUYRKSA-N 1 0 248.326 1.397 20 10 BDCDRO C[NH2+]C[C@@H]1CCCN1Cc1ccccc1O ZINC000169233789 633158878 /nfs/dbraw/zinc/15/88/78/633158878.db2.gz JPUWJPNXZJGZHY-LBPRGKRZSA-N 1 0 220.316 1.576 20 10 BDCDRO C[S@](=O)C1(C[NH2+]Cc2ccccc2O)CC1 ZINC000309882317 633900228 /nfs/dbraw/zinc/90/02/28/633900228.db2.gz WEXNUAAALPCRNL-INIZCTEOSA-N 1 0 239.340 1.393 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2CCN(C=O)CC2)c1 ZINC000895582416 636163278 /nfs/dbraw/zinc/16/32/78/636163278.db2.gz TWUODFOECIZXJD-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO C[C@@H]([NH2+]Cc1cc(Cl)ccc1O)C(N)=O ZINC000035793330 634136987 /nfs/dbraw/zinc/13/69/87/634136987.db2.gz TVIQPGWROOPWOT-ZCFIWIBFSA-N 1 0 228.679 1.009 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@](C)(O)C2CC2)c1 ZINC000310132944 635181964 /nfs/dbraw/zinc/18/19/64/635181964.db2.gz LBINZXHTPIDVSH-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO c1cc(CNC[C@@H]2CCC[NH2+]2)cc2c1OCC2 ZINC000259018533 635234507 /nfs/dbraw/zinc/23/45/07/635234507.db2.gz YKFVJQIKIUESHB-ZDUSSCGKSA-N 1 0 232.327 1.463 20 10 BDCDRO CC(C)[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000121627132 636352601 /nfs/dbraw/zinc/35/26/01/636352601.db2.gz WALKUKJTXDMVRC-UHFFFAOYSA-N 1 0 249.358 1.448 20 10 BDCDRO COC(OC)[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000079605545 636859370 /nfs/dbraw/zinc/85/93/70/636859370.db2.gz QPXKELUZUKFYSJ-SNVBAGLBSA-N 1 0 239.315 1.798 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000322748327 636878122 /nfs/dbraw/zinc/87/81/22/636878122.db2.gz CZMXZMNLGZEVOO-SNVBAGLBSA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]CCCON)c(O)c1C ZINC000902426405 637306376 /nfs/dbraw/zinc/30/63/76/637306376.db2.gz SJZAYNAIIGYXMQ-LLVKDONJSA-N 1 0 238.331 1.940 20 10 BDCDRO NOCCC[NH2+]Cc1cc(Cl)ccc1O ZINC000904457746 637418778 /nfs/dbraw/zinc/41/87/78/637418778.db2.gz UOWYTCWOTGJJFV-UHFFFAOYSA-N 1 0 230.695 1.416 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cnc[nH]2)cc1 ZINC000054763709 640404797 /nfs/dbraw/zinc/40/47/97/640404797.db2.gz YOQDWRFVZGCLAZ-UHFFFAOYSA-N 1 0 230.315 1.766 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1ccccc1O ZINC000163988614 640434278 /nfs/dbraw/zinc/43/42/78/640434278.db2.gz JRLIEGIHMNPHAY-RKDXNWHRSA-N 1 0 222.288 1.307 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CC[C@H](C)O)cc1C ZINC000164578833 640491224 /nfs/dbraw/zinc/49/12/24/640491224.db2.gz NSBQZVDXPBSWGA-NSHDSACASA-N 1 0 223.316 1.870 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]Cc1cc[nH]n1 ZINC000226583802 640778040 /nfs/dbraw/zinc/77/80/40/640778040.db2.gz OUVXSAFRZZPQBH-UHFFFAOYSA-N 1 0 221.235 1.544 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CC(N)=O)c(O)c1 ZINC000168829961 640829236 /nfs/dbraw/zinc/82/92/36/640829236.db2.gz UWARYVFRIYZWSG-VHSXEESVSA-N 1 0 236.315 1.615 20 10 BDCDRO [NH3+]C1(C(=O)NCc2ccccc2O)CCCCC1 ZINC000228422227 640874111 /nfs/dbraw/zinc/87/41/11/640874111.db2.gz HUUUQTXLIQINMU-UHFFFAOYSA-N 1 0 248.326 1.670 20 10 BDCDRO Oc1ccccc1C[NH2+]Cc1ccno1 ZINC000230973001 641122419 /nfs/dbraw/zinc/12/24/19/641122419.db2.gz ABXNAWVSTBSJQT-UHFFFAOYSA-N 1 0 204.229 1.670 20 10 BDCDRO C[N@@H+]1CCC[C@@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000040716231 641535583 /nfs/dbraw/zinc/53/55/83/641535583.db2.gz MSXADGIAQGGGJO-GFCCVEGCSA-N 1 0 248.330 1.485 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077453698 641857945 /nfs/dbraw/zinc/85/79/45/641857945.db2.gz SBUZPCDBMYWKPN-CYBMUJFWSA-N 1 0 235.327 1.872 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC000020146109 643056952 /nfs/dbraw/zinc/05/69/52/643056952.db2.gz XULANGVEKFNLNT-CYBMUJFWSA-N 1 0 234.343 1.879 20 10 BDCDRO OCC1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000184359779 643205598 /nfs/dbraw/zinc/20/55/98/643205598.db2.gz XMDKSYYXDSGQSL-UHFFFAOYSA-N 1 0 221.300 1.644 20 10 BDCDRO Cc1cc(CN2CC[NH2+]CC2)ccc1N(C)C ZINC000082653136 643362823 /nfs/dbraw/zinc/36/28/23/643362823.db2.gz YVSQPTXDAVGSME-UHFFFAOYSA-N 1 0 233.359 1.466 20 10 BDCDRO CCOC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000044690563 643548666 /nfs/dbraw/zinc/54/86/66/643548666.db2.gz LKLRNRVPMMIZBX-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000160436055 643581129 /nfs/dbraw/zinc/58/11/29/643581129.db2.gz MQMWLKFEZVVNSE-NSHDSACASA-N 1 0 219.288 1.349 20 10 BDCDRO Nc1ccc(NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000160436158 643581136 /nfs/dbraw/zinc/58/11/36/643581136.db2.gz MQMWLKFEZVVNSE-LLVKDONJSA-N 1 0 219.288 1.349 20 10 BDCDRO OC[C@@H]1C[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922094139 643861543 /nfs/dbraw/zinc/86/15/43/643861543.db2.gz JXZQUHRLYLRIKY-QWHCGFSZSA-N 1 0 233.311 1.482 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@]1(C)CCC[NH2+]1 ZINC000079518220 644187544 /nfs/dbraw/zinc/18/75/44/644187544.db2.gz FCLVWEMUQSMNEB-AWEZNQCLSA-N 1 0 248.326 1.493 20 10 BDCDRO OC[C@H](CCF)[NH2+]Cc1ccccc1O ZINC000846098165 645404630 /nfs/dbraw/zinc/40/46/30/645404630.db2.gz ZZVQXVAMNANIMR-JTQLQIEISA-N 1 0 213.252 1.202 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H](CO)CCF ZINC000846098153 645404761 /nfs/dbraw/zinc/40/47/61/645404761.db2.gz ZTMRUMLJKLHFHR-VIFPVBQESA-N 1 0 243.278 1.211 20 10 BDCDRO C[C@H]1NCCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925689554 646416070 /nfs/dbraw/zinc/41/60/70/646416070.db2.gz BXKNOEXKDGFNJK-RISCZKNCSA-N 1 0 233.359 1.541 20 10 BDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(C)ccc1O ZINC000703675420 712082848 /nfs/dbraw/zinc/08/28/48/712082848.db2.gz IEVHOCVOSFSRET-OLZOCXBDSA-N 1 0 221.300 1.968 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1cc(F)ccc1O ZINC000378722357 712358379 /nfs/dbraw/zinc/35/83/79/712358379.db2.gz GWJJWRNSQHWAPX-NYRNMGCKSA-N 1 0 225.263 1.705 20 10 BDCDRO C[C@H]([NH2+]CC1(CO)COC1)c1ccccc1O ZINC000717647173 712663098 /nfs/dbraw/zinc/66/30/98/712663098.db2.gz DGZIAWUUSODKAQ-JTQLQIEISA-N 1 0 237.299 1.052 20 10 BDCDRO CC1(C)CN(Cc2cc(F)ccc2O)C[C@@H]1[NH3+] ZINC000720779529 712865116 /nfs/dbraw/zinc/86/51/16/712865116.db2.gz UQFOJOGEUJKLQC-LBPRGKRZSA-N 1 0 238.306 1.700 20 10 BDCDRO CC1(C)CN(Cc2ccccc2O)C[C@H]1[NH3+] ZINC000720745508 712863324 /nfs/dbraw/zinc/86/33/24/712863324.db2.gz CFHPTRZHOGIRSW-GFCCVEGCSA-N 1 0 220.316 1.561 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]CCO)c2c1c(F)ccc2O ZINC000381259261 710613501 /nfs/dbraw/zinc/61/35/01/710613501.db2.gz RNMDJPJGVGWXFE-APPZFPTMSA-N 1 0 225.263 1.662 20 10 BDCDRO C[C@H]([NH2+]Cc1ncnn1C)c1ccccc1O ZINC000389336754 711076683 /nfs/dbraw/zinc/07/66/83/711076683.db2.gz XQQBYVBHFHGSFV-VIFPVBQESA-N 1 0 232.287 1.372 20 10 BDCDRO COc1ccc(CNCc2cnn(C)n2)cc1C ZINC000389813381 711089510 /nfs/dbraw/zinc/08/95/10/711089510.db2.gz KIWVZUYRFZFNOS-UHFFFAOYSA-N 1 0 246.314 1.422 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000399000019 711418120 /nfs/dbraw/zinc/41/81/20/711418120.db2.gz BPPGBQOCPDANQL-OCCSQVGLSA-N 1 0 247.386 1.983 20 10 BDCDRO C[C@H]([NH2+]CCCn1cncn1)c1ccccc1O ZINC000381847181 710745353 /nfs/dbraw/zinc/74/53/53/710745353.db2.gz ZHZFBEQBKCRFOO-NSHDSACASA-N 1 0 246.314 1.725 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000396726131 711368923 /nfs/dbraw/zinc/36/89/23/711368923.db2.gz YSWDGASQCPBEAK-DOMZBBRYSA-N 1 0 247.386 1.983 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](C)O ZINC000386728548 711649907 /nfs/dbraw/zinc/64/99/07/711649907.db2.gz ARUAUBDJMVGVLL-GZMMTYOYSA-N 1 0 227.279 1.780 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)Cc1ccccc1O ZINC000092954828 711711879 /nfs/dbraw/zinc/71/18/79/711711879.db2.gz GJFCPOIWBQPTAI-CMPLNLGQSA-N 1 0 248.326 1.349 20 10 BDCDRO [NH3+]Cc1ccc2c(c1)CCCN2Cc1cc[nH]n1 ZINC000700869105 712009134 /nfs/dbraw/zinc/00/91/34/712009134.db2.gz WPXIRPPSSQIWRU-UHFFFAOYSA-N 1 0 242.326 1.821 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCOCCF)c1 ZINC000705745774 712135740 /nfs/dbraw/zinc/13/57/40/712135740.db2.gz KALKINSYKXZHRJ-UHFFFAOYSA-N 1 0 227.279 1.776 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](OC)C2)c1 ZINC000706508870 712148261 /nfs/dbraw/zinc/14/82/61/712148261.db2.gz XZUTZPOAOYIWRU-UMSPYCQHSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710894174 712261926 /nfs/dbraw/zinc/26/19/26/712261926.db2.gz UBGSNECJFNWOOJ-MFKMUULPSA-N 1 0 233.311 1.746 20 10 BDCDRO C[C@H]1[NH2+]CCN(Cc2ccccc2O)[C@H]1C ZINC000379445587 712385090 /nfs/dbraw/zinc/38/50/90/712385090.db2.gz WWYVHIASCSBOMC-MNOVXSKESA-N 1 0 220.316 1.574 20 10 BDCDRO CCN1CC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000712546272 712443726 /nfs/dbraw/zinc/44/37/26/712443726.db2.gz CDWAZGVVKOLRBS-GFCCVEGCSA-N 1 0 220.316 1.576 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)N(C)C ZINC000036794365 712496322 /nfs/dbraw/zinc/49/63/22/712496322.db2.gz CQIVYBDWPLYURD-VHSXEESVSA-N 1 0 236.315 1.520 20 10 BDCDRO Oc1ccccc1C[NH2+][C@]12C[C@H]1COC2 ZINC000718009200 712736017 /nfs/dbraw/zinc/73/60/17/712736017.db2.gz QNRWSOILGSRHSX-JQWIXIFHSA-N 1 0 205.257 1.271 20 10 BDCDRO C[C@H](NCC[NH3+])c1ccc(N(C)C)cc1 ZINC000037712896 712744618 /nfs/dbraw/zinc/74/46/18/712744618.db2.gz BLLWKDDEPSYKPD-JTQLQIEISA-N 1 0 207.321 1.362 20 10 BDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH3+] ZINC000037807398 712761511 /nfs/dbraw/zinc/76/15/11/712761511.db2.gz HHHFDYUCVYEQRD-UHFFFAOYSA-N 1 0 235.331 1.060 20 10 BDCDRO C[C@@H]([NH3+])CC(=O)N(C)Cc1ccccc1O ZINC000037823783 712768904 /nfs/dbraw/zinc/76/89/04/712768904.db2.gz XZUQYBUERGDVHS-SECBINFHSA-N 1 0 222.288 1.088 20 10 BDCDRO Oc1ccccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000719180358 712799542 /nfs/dbraw/zinc/79/95/42/712799542.db2.gz SFHDVUFXUWZPAB-UHFFFAOYSA-N 1 0 243.310 1.825 20 10 BDCDRO C[C@@H]1[C@@H]([NH2+]Cc2ccccc2O)CCN1C ZINC000719579660 712812489 /nfs/dbraw/zinc/81/24/89/712812489.db2.gz IRSGNGYTYCIVTL-PWSUYJOCSA-N 1 0 220.316 1.574 20 10 BDCDRO CC1(C)CN(Cc2cc(F)ccc2O)C[C@H]1[NH3+] ZINC000720779524 712865317 /nfs/dbraw/zinc/86/53/17/712865317.db2.gz UQFOJOGEUJKLQC-GFCCVEGCSA-N 1 0 238.306 1.700 20 10 BDCDRO C[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000699745844 966063908 /nfs/dbraw/zinc/06/39/08/966063908.db2.gz UQIKLMXBKNDMST-KCJUWKMLSA-N 1 0 225.263 1.656 20 10 BDCDRO COc1ccc(N2CC[C@H]([NH3+])C2)c(OC)c1F ZINC001164289583 968214315 /nfs/dbraw/zinc/21/43/15/968214315.db2.gz ZZHCGJMFOUELFK-QMMMGPOBSA-N 1 0 240.278 1.380 20 10 BDCDRO CO[C@@H](C)C1C[NH+](Cc2ccccc2O)C1 ZINC001203560899 979770013 /nfs/dbraw/zinc/77/00/13/979770013.db2.gz KBUJIUCGZBRQTA-JTQLQIEISA-N 1 0 221.300 1.859 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)C1(C)COC1 ZINC001237487521 979919399 /nfs/dbraw/zinc/91/93/99/979919399.db2.gz JNYPOCLMAOZKQX-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO Oc1ccccc1C[NH+]1CCN(CCF)CC1 ZINC000402764468 970852106 /nfs/dbraw/zinc/85/21/06/970852106.db2.gz FFMAYFSEOQJWOH-UHFFFAOYSA-N 1 0 238.306 1.479 20 10 BDCDRO COc1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC000405771764 971304018 /nfs/dbraw/zinc/30/40/18/971304018.db2.gz ABJSJTCTMYHMLP-CYBMUJFWSA-N 1 0 236.315 1.324 20 10 BDCDRO Nc1ccc(CO[C@H]2[C@@H]3CC[C@H]2[NH2+]C3)cc1 ZINC001217924641 971529587 /nfs/dbraw/zinc/52/95/87/971529587.db2.gz JVQHLRDXHQPHSW-RTXFEEFZSA-N 1 0 218.300 1.536 20 10 BDCDRO Nc1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@@H]32)cc1 ZINC001218474742 971828882 /nfs/dbraw/zinc/82/88/82/971828882.db2.gz WWTNCMYUOZXMCI-TVYUQYBPSA-N 1 0 218.300 1.646 20 10 BDCDRO O[C@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCC1 ZINC000316036702 972259859 /nfs/dbraw/zinc/25/98/59/972259859.db2.gz VNRHHQIXGBYINZ-CQSZACIVSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccccc1C[NH2+]CCO[C@@H]1CC1(F)F ZINC000690707974 958222807 /nfs/dbraw/zinc/22/28/07/958222807.db2.gz DFBGBAPAGSVAKZ-LLVKDONJSA-N 1 0 243.253 1.906 20 10 BDCDRO CN(C)c1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000693633551 959063698 /nfs/dbraw/zinc/06/36/98/959063698.db2.gz KHCNLKQVVCQZPS-TXEJJXNPSA-N 1 0 247.342 1.106 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(O)c(O)c1 ZINC000309197975 959739829 /nfs/dbraw/zinc/73/98/29/959739829.db2.gz KMYFLOMNHUXBST-PSASIEDQSA-N 1 0 222.288 1.019 20 10 BDCDRO CC(=O)C[N@@H+](C)Cc1cc(C)ccc1O ZINC001140617287 960460458 /nfs/dbraw/zinc/46/04/58/960460458.db2.gz LCATXUBJSZUCIO-UHFFFAOYSA-N 1 0 207.273 1.721 20 10 BDCDRO Cc1ccc(O)c(CN2CC([NH+](C)C)C2)c1 ZINC001140617726 960461721 /nfs/dbraw/zinc/46/17/21/960461721.db2.gz ZHBFYYPADZREBT-UHFFFAOYSA-N 1 0 220.316 1.446 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001140623253 960464945 /nfs/dbraw/zinc/46/49/45/960464945.db2.gz MHGUBMIUBVEPOM-SMDDNHRTSA-N 1 0 233.311 1.921 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H](F)C2)c1O ZINC001140743897 960543779 /nfs/dbraw/zinc/54/37/79/960543779.db2.gz DMVCRLXHWBJCHL-JTQLQIEISA-N 1 0 225.263 1.950 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H](C)C[C@H]2CO)c(O)c1 ZINC001140948003 960739719 /nfs/dbraw/zinc/73/97/19/960739719.db2.gz PABOUAWVCLDGAN-AAEUAGOBSA-N 1 0 235.327 1.903 20 10 BDCDRO COC(=O)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC001140948189 960741676 /nfs/dbraw/zinc/74/16/76/960741676.db2.gz XFTNOIIGMBOEDL-UHFFFAOYSA-N 1 0 235.283 1.305 20 10 BDCDRO Cc1cc(C)c(CNC(=O)C2C[NH+](C)C2)c(O)c1 ZINC001142601097 961529919 /nfs/dbraw/zinc/52/99/19/961529919.db2.gz XSKXSIABQLMKKM-UHFFFAOYSA-N 1 0 248.326 1.187 20 10 BDCDRO Cc1cc(F)cc(CN2CC[C@](C)([NH3+])C2)c1O ZINC001204801834 963687801 /nfs/dbraw/zinc/68/78/01/963687801.db2.gz VJTPZKZANDOJNW-ZDUSSCGKSA-N 1 0 238.306 1.763 20 10 BDCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)NC ZINC000697916456 964680170 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ZYOGEVDWEFXYAQ-UHFFFAOYSA-N 1 0 231.255 1.544 20 10 BDCDRO C[C@H]1[C@@H](O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001170324659 970710275 /nfs/dbraw/zinc/71/02/75/970710275.db2.gz RPYLZZLAVDKAQX-FZMZJTMJSA-N 1 0 234.343 1.708 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CO[C@H](C)C2)c1 ZINC000402023694 970760565 /nfs/dbraw/zinc/76/05/65/970760565.db2.gz GDNVGJUMKWBRPY-MWLCHTKSSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@@H](O)[C@H](C)[NH2+]CCCSc1nccs1 ZINC001327976843 972838507 /nfs/dbraw/zinc/83/85/07/972838507.db2.gz AOTJTOWCOATBFE-DTWKUNHWSA-N 1 0 246.401 1.984 20 10 BDCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)C1COC1 ZINC001144514647 972857487 /nfs/dbraw/zinc/85/74/87/972857487.db2.gz NFYRSBWAKCQYEN-UHFFFAOYSA-N 1 0 239.271 1.024 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CC3CC(C3)C2)c(O)c1 ZINC001144515830 972858011 /nfs/dbraw/zinc/85/80/11/972858011.db2.gz ZXJDCPNTZHJTDI-UHFFFAOYSA-N 1 0 235.283 1.645 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)c(O)c1 ZINC001144515833 972859009 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975128824 /nfs/dbraw/zinc/12/88/24/975128824.db2.gz DZWBEFBNWIVIRZ-CHWSQXEVSA-N 1 0 237.322 1.530 20 10 BDCDRO C[C@@H]1[C@@H](C)[N@H+](Cc2ccc(N)cc2)CCN1C ZINC001334754802 976624026 /nfs/dbraw/zinc/62/40/26/976624026.db2.gz RQPQKKMVWMTCRB-VXGBXAGGSA-N 1 0 233.359 1.793 20 10 BDCDRO COC(=O)CC1([NH2+]Cc2ccc(N)cc2)CC1 ZINC001335289601 976933799 /nfs/dbraw/zinc/93/37/99/976933799.db2.gz PSCRGBHBTZZCNG-UHFFFAOYSA-N 1 0 234.299 1.454 20 10 BDCDRO Cc1cc(Nc2cc(N)c(O)cc2O)cc[nH+]1 ZINC001174657745 976954368 /nfs/dbraw/zinc/95/43/68/976954368.db2.gz OXEOXDLOVWRVSZ-UHFFFAOYSA-N 1 0 231.255 1.549 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2ccc(N)cc2)C1 ZINC001336116110 977511544 /nfs/dbraw/zinc/51/15/44/977511544.db2.gz BSCMIZBMKLUZJR-LBPRGKRZSA-N 1 0 205.305 1.063 20 10 BDCDRO Cc1cccc(C[NH+]2CC3(CN(C)C3)C2)c1O ZINC001231595482 977643143 /nfs/dbraw/zinc/64/31/43/977643143.db2.gz WRBIQQMVAIOGFI-UHFFFAOYSA-N 1 0 232.327 1.448 20 10 BDCDRO Cc1cc(C)c(C[N@H+]2C[C@H](C)[C@H](O)C2)c(O)c1 ZINC001231843220 977754086 /nfs/dbraw/zinc/75/40/86/977754086.db2.gz SNBMFZUULQBDHE-SMDDNHRTSA-N 1 0 235.327 1.822 20 10 BDCDRO Cc1cc(C)c(C[N@@H+](C)C2COC2)c(O)c1 ZINC001231846865 977761771 /nfs/dbraw/zinc/76/17/71/977761771.db2.gz RKOKXILMDQEKOR-UHFFFAOYSA-N 1 0 221.300 1.840 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001231841518 977763640 /nfs/dbraw/zinc/76/36/40/977763640.db2.gz BJIARYJBLBZLGF-LLVKDONJSA-N 1 0 221.300 1.576 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CC(CO)C2)c(O)c1 ZINC001231847376 977768160 /nfs/dbraw/zinc/76/81/60/977768160.db2.gz YDRNOCIXACWTSN-UHFFFAOYSA-N 1 0 221.300 1.433 20 10 BDCDRO CC(C)N1CC[C@H]([NH2+]Cc2ccc(N)cc2)C1=O ZINC001337837454 978519704 /nfs/dbraw/zinc/51/97/04/978519704.db2.gz BJNMPWWNQQUYDJ-ZDUSSCGKSA-N 1 0 247.342 1.368 20 10 BDCDRO C[C@@]1(O)CC[N@H+](Cc2c([O-])ccc(F)c2F)C1 ZINC001233332326 978565725 /nfs/dbraw/zinc/56/57/25/978565725.db2.gz HGFOGIMJBCPKLG-GFCCVEGCSA-N 1 0 243.253 1.627 20 10 BDCDRO [O-]c1ccc(F)c(F)c1C[N@H+]1CCC[C@H]1CO ZINC001233332553 978566041 /nfs/dbraw/zinc/56/60/41/978566041.db2.gz PBVLIIGYNWYPQT-QMMMGPOBSA-N 1 0 243.253 1.627 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCCCC2)cc1O ZINC001233482219 978612252 /nfs/dbraw/zinc/61/22/52/978612252.db2.gz FOWBRDHVYGRLDG-UHFFFAOYSA-N 1 0 223.272 1.789 20 10 BDCDRO COC[C@@H](CO)[NH2+]Cc1ccc(Cl)cc1O ZINC001181390791 979089636 /nfs/dbraw/zinc/08/96/36/979089636.db2.gz KSIUXHZLGSOFSB-SNVBAGLBSA-N 1 0 245.706 1.143 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)[C@@H]2C)c1 ZINC001181797234 979310393 /nfs/dbraw/zinc/31/03/93/979310393.db2.gz VAHWINBGHXMZJQ-CABZTGNLSA-N 1 0 237.299 1.356 20 10 BDCDRO Cc1cccc(O)c1CN1CC[C@@H]([NH3+])C1 ZINC001236173518 979432974 /nfs/dbraw/zinc/43/29/74/979432974.db2.gz KLBMSCVLJGBOTD-SNVBAGLBSA-N 1 0 206.289 1.234 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@@H]2C[NH2+]C[C@H]21 ZINC001236286298 979491179 /nfs/dbraw/zinc/49/11/79/979491179.db2.gz CLWAMQRUIJRSGK-CMPLNLGQSA-N 1 0 218.300 1.104 20 10 BDCDRO C[C@]1(C(=O)NCc2ccc(N)cc2)CCC[NH2+]C1 ZINC001341923230 979592603 /nfs/dbraw/zinc/59/26/03/979592603.db2.gz JQPRBQQVSMJYDX-AWEZNQCLSA-N 1 0 247.342 1.275 20 10 BDCDRO C[C@@H]1CN(Cc2cc(O)ccc2O)C[C@H](C)[NH2+]1 ZINC001236576710 979648133 /nfs/dbraw/zinc/64/81/33/979648133.db2.gz AVONIPORWQOARQ-AOOOYVTPSA-N 1 0 236.315 1.280 20 10 BDCDRO CC1(C)CN(C(=O)Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001342506885 979818167 /nfs/dbraw/zinc/81/81/67/979818167.db2.gz XHDNCWWRWZXESB-LBPRGKRZSA-N 1 0 247.342 1.007 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC001343474700 980120714 /nfs/dbraw/zinc/12/07/14/980120714.db2.gz XRIQTHWCCKXYOG-ZDUSSCGKSA-N 1 0 247.342 1.417 20 10 BDCDRO Cn1ccc2c1ncnc2-c1cncc(C[NH3+])c1 ZINC001239784919 980915391 /nfs/dbraw/zinc/91/53/91/980915391.db2.gz ZHIRWJDGHTYUKQ-UHFFFAOYSA-N 1 0 239.282 1.489 20 10 BDCDRO Cn1ccc2ncc(C3=CCC[NH2+]C3)cc21 ZINC001240670205 981581188 /nfs/dbraw/zinc/58/11/88/981581188.db2.gz YCSXUOWKOJXIQH-UHFFFAOYSA-N 1 0 213.284 1.950 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@]3(CCCO3)C2)cc1O ZINC001203875152 982554126 /nfs/dbraw/zinc/55/41/26/982554126.db2.gz JCXUENDQLIXOGJ-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO OC[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875842 982560758 /nfs/dbraw/zinc/56/07/58/982560758.db2.gz XHHDZPAFIQMWOQ-JTQLQIEISA-N 1 0 223.272 1.055 20 10 BDCDRO CCCC[C@H](O)C[NH2+]Cc1ccc(O)c(O)c1 ZINC001252111436 983686246 /nfs/dbraw/zinc/68/62/46/983686246.db2.gz VLUYVGCNZGDYKP-NSHDSACASA-N 1 0 239.315 1.739 20 10 BDCDRO Cc1cccc(C[NH2+]C/C=C\CO)c1O ZINC000717525632 984212308 /nfs/dbraw/zinc/21/23/08/984212308.db2.gz PNACWTUMTDJRCE-IHWYPQMZSA-N 1 0 207.273 1.339 20 10 BDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1cc(O)ccc1O)C2 ZINC001275418988 984559057 /nfs/dbraw/zinc/55/90/57/984559057.db2.gz OLZWDGOQYCOJGW-PWSUYJOCSA-N 1 0 248.326 1.234 20 10 BDCDRO C[N@@H+]1C[C@H]2C[C@@H](C1)N(Cc1ccc(O)cc1O)C2 ZINC001275950133 984742773 /nfs/dbraw/zinc/74/27/73/984742773.db2.gz PTPXUATYSGKHSR-PWSUYJOCSA-N 1 0 248.326 1.234 20 10 BDCDRO Cc1cccc(C[NH+]2CC3(CCN3C)C2)c1O ZINC001276080574 984811881 /nfs/dbraw/zinc/81/18/81/984811881.db2.gz QSGQRFHYTCFIPR-UHFFFAOYSA-N 1 0 232.327 1.591 20 10 BDCDRO CCc1cccc(C[N@H+](C)CCN(C)C)c1O ZINC000692110818 985406480 /nfs/dbraw/zinc/40/64/80/985406480.db2.gz ZRPVECPPKIDJAE-UHFFFAOYSA-N 1 0 236.359 1.948 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000690779168 987278992 /nfs/dbraw/zinc/27/89/92/987278992.db2.gz AEVXFSPOLMLKGW-OLZOCXBDSA-N 1 0 233.311 1.861 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2ccc(N)cc2)C[NH2+]1 ZINC001246170483 987532843 /nfs/dbraw/zinc/53/28/43/987532843.db2.gz KRNDNBPBSKZQQK-ZWNOBZJWSA-N 1 0 219.332 1.499 20 10 BDCDRO C[C@H]1CC[C@H](NCc2ccc(N)cc2)C[NH2+]1 ZINC001246170480 987534571 /nfs/dbraw/zinc/53/45/71/987534571.db2.gz KRNDNBPBSKZQQK-GWCFXTLKSA-N 1 0 219.332 1.499 20 10 BDCDRO COc1cc(C)c(C[NH2+]C[C@H](C)OC)c(O)c1 ZINC001474619507 987779490 /nfs/dbraw/zinc/77/94/90/987779490.db2.gz WWZXOVXYGNKKEB-JTQLQIEISA-N 1 0 239.315 1.834 20 10 BDCDRO C[C@H]1CC[C@H](N(C)Cc2ccccc2O)C[NH2+]1 ZINC001246858796 988591749 /nfs/dbraw/zinc/59/17/49/988591749.db2.gz BWWFLEYWTIASJP-AAEUAGOBSA-N 1 0 234.343 1.965 20 10 BDCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001515332339 989024645 /nfs/dbraw/zinc/02/46/45/989024645.db2.gz JKLRMFSLQDLKBS-NEPJUHHUSA-N 1 0 247.342 1.258 20 10 BDCDRO O=C(C1=CCC[NH2+]CC1)N1CCc2ccncc21 ZINC001121979780 990163942 /nfs/dbraw/zinc/16/39/42/990163942.db2.gz XTUOWMTXISEHLI-UHFFFAOYSA-N 1 0 243.310 1.281 20 10 BDCDRO CC[C@H](C)C[C@@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC001122172276 990275895 /nfs/dbraw/zinc/27/58/95/990275895.db2.gz BLIHYHPTGDYKMA-GXFFZTMASA-N 1 0 249.358 1.995 20 10 BDCDRO CN(Cc1c(O)cccc1F)[C@H]1CC[N@H+](C)C1 ZINC001137837568 990858375 /nfs/dbraw/zinc/85/83/75/990858375.db2.gz MDCSMIMPRPBZNF-JTQLQIEISA-N 1 0 238.306 1.667 20 10 BDCDRO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@@H](O)C1 ZINC001138124028 990887219 /nfs/dbraw/zinc/88/72/19/990887219.db2.gz VUYHDVJGZCDORV-LLVKDONJSA-N 1 0 239.290 1.878 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@H](F)[C@H](O)C1 ZINC001140058317 991506262 /nfs/dbraw/zinc/50/62/62/991506262.db2.gz WWOVZAHNKOIAON-CMPLNLGQSA-N 1 0 243.253 1.436 20 10 BDCDRO Cc1ccc(C)c(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC001140178835 991552468 /nfs/dbraw/zinc/55/24/68/991552468.db2.gz ZIASHKQRANJSGI-VXGBXAGGSA-N 1 0 235.327 1.964 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CC3(CC(O)C3)C2)c1O ZINC001140178193 991553110 /nfs/dbraw/zinc/55/31/10/991553110.db2.gz CAJMIKSYCPXFIH-UHFFFAOYSA-N 1 0 247.338 1.966 20 10 BDCDRO Cc1ccc(C)c(CN2CC([NH+](C)C)C2)c1O ZINC001140178199 991553151 /nfs/dbraw/zinc/55/31/51/991553151.db2.gz CFCZNBOLTHWJJP-UHFFFAOYSA-N 1 0 234.343 1.755 20 10 BDCDRO Oc1cc(Cl)ccc1C[NH2+]C[C@@H](O)C1CC1 ZINC001560810939 991610220 /nfs/dbraw/zinc/61/02/20/991610220.db2.gz RKGIZEYBDKLTAP-GFCCVEGCSA-N 1 0 241.718 1.906 20 10 BDCDRO CC(C)C[NH2+]CC(=O)NCCc1ccc(N)cc1 ZINC001261434550 992306700 /nfs/dbraw/zinc/30/67/00/992306700.db2.gz MUVNGNCPBHTENY-UHFFFAOYSA-N 1 0 249.358 1.173 20 10 BDCDRO CCC[C@@H]1C(=O)NCCN1Cc1ccc(N)cc1 ZINC001262488022 992893347 /nfs/dbraw/zinc/89/33/47/992893347.db2.gz NHJHSUKEKXTZIF-CYBMUJFWSA-N 1 0 247.342 1.369 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCCCNC1=O)c1ccccc1O ZINC000036977399 343329098 /nfs/dbraw/zinc/32/90/98/343329098.db2.gz OQROCBIXQYSZNS-PWSUYJOCSA-N 1 0 248.326 1.712 20 10 BDCDRO CCOc1cccc(C[NH2+][C@@H](C)CO)c1O ZINC000035603281 343299586 /nfs/dbraw/zinc/29/95/86/343299586.db2.gz PSOQUSGHYPBGOA-VIFPVBQESA-N 1 0 225.288 1.261 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](C)N(C)C)c1ccccc1O ZINC000038088822 343370166 /nfs/dbraw/zinc/37/01/66/343370166.db2.gz MDKUBGOFDWNOJN-WDEREUQCSA-N 1 0 222.332 1.993 20 10 BDCDRO C[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363048 343343859 /nfs/dbraw/zinc/34/38/59/343343859.db2.gz IUALAJFTRVNAJV-SECBINFHSA-N 1 0 207.273 1.092 20 10 BDCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@H](O)C1 ZINC000128158791 343787211 /nfs/dbraw/zinc/78/72/11/343787211.db2.gz WVHGSLIFJYTGIM-JTQLQIEISA-N 1 0 227.691 1.612 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CCNC(=O)C[C@H]2C)c1 ZINC000377888769 178794331 /nfs/dbraw/zinc/79/43/31/178794331.db2.gz LYTNKKBEFQGABI-LLVKDONJSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(C[N@H+](C)CC(=O)NC2CC2)c1O ZINC000179606749 179064058 /nfs/dbraw/zinc/06/40/58/179064058.db2.gz AHVGYTUNTIJLHC-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CC(=O)N(C)C2)c1O ZINC000271905208 179101360 /nfs/dbraw/zinc/10/13/60/179101360.db2.gz WMVLIPZLPGIOJP-NSHDSACASA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c1O ZINC000124835834 179101899 /nfs/dbraw/zinc/10/18/99/179101899.db2.gz GOQNEULKJGXYLF-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO CN(C)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297197752 133672896 /nfs/dbraw/zinc/67/28/96/133672896.db2.gz FVCXVOTYSVJPMR-NSHDSACASA-N 1 0 220.316 1.531 20 10 BDCDRO CC(C)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000134696765 188258850 /nfs/dbraw/zinc/25/88/50/188258850.db2.gz HNGBQJZUXFBWFI-CYBMUJFWSA-N 1 0 235.327 1.728 20 10 BDCDRO CC(C)(CO)CC[NH2+]Cc1ccccc1O ZINC000294777178 188268793 /nfs/dbraw/zinc/26/87/93/188268793.db2.gz KSQAFMLQXZNSSQ-UHFFFAOYSA-N 1 0 223.316 1.890 20 10 BDCDRO CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000083363469 188315604 /nfs/dbraw/zinc/31/56/04/188315604.db2.gz CXMIGFCGNWRZPK-NSHDSACASA-N 1 0 236.315 1.382 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](O)C2(C)C)c1O ZINC000128233622 188330884 /nfs/dbraw/zinc/33/08/84/188330884.db2.gz XMQCEBJYXGJSSU-NWDGAFQWSA-N 1 0 235.327 1.950 20 10 BDCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@@H](C)CO ZINC000293547809 353748401 /nfs/dbraw/zinc/74/84/01/353748401.db2.gz YQPQHQQIZYXCLG-LBPRGKRZSA-N 1 0 236.359 1.955 20 10 BDCDRO CC[N@H+](Cc1cccc(C)c1O)[C@@H](C)CO ZINC000293731288 353755765 /nfs/dbraw/zinc/75/57/65/353755765.db2.gz UVBWGOVPHXIRCM-NSHDSACASA-N 1 0 223.316 1.903 20 10 BDCDRO NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000155066355 181269490 /nfs/dbraw/zinc/26/94/90/181269490.db2.gz AXLMESDZKPNYKB-LLVKDONJSA-N 1 0 234.299 1.090 20 10 BDCDRO O=C1NCCCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000036976904 182797992 /nfs/dbraw/zinc/79/79/92/182797992.db2.gz JYRBKNHMSUBPGE-NSHDSACASA-N 1 0 234.299 1.151 20 10 BDCDRO OCCCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296616447 183052035 /nfs/dbraw/zinc/05/20/35/183052035.db2.gz YVRWHDKGTTXUQO-NSHDSACASA-N 1 0 221.300 1.742 20 10 BDCDRO OCCOCCC[NH2+]Cc1cc(F)ccc1O ZINC000227521883 183082867 /nfs/dbraw/zinc/08/28/67/183082867.db2.gz KWVSKAZJQUAIBU-UHFFFAOYSA-N 1 0 243.278 1.020 20 10 BDCDRO OC[C@@H]1CC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000294968596 183125664 /nfs/dbraw/zinc/12/56/64/183125664.db2.gz FNVXGJWCPISELL-SKDRFNHKSA-N 1 0 239.290 1.782 20 10 BDCDRO OC[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000124984806 183149576 /nfs/dbraw/zinc/14/95/76/183149576.db2.gz VWOKGBNPRSQDFQ-NSHDSACASA-N 1 0 221.300 1.597 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000369677028 183301860 /nfs/dbraw/zinc/30/18/60/183301860.db2.gz UXTNDGUCSCVWOD-CQSZACIVSA-N 1 0 233.311 1.739 20 10 BDCDRO Oc1ccccc1C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2 ZINC000179556154 183302045 /nfs/dbraw/zinc/30/20/45/183302045.db2.gz MHZMEHGZIMHYGU-FUNVUKJBSA-N 1 0 233.311 1.880 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCCC[C@@H]1O ZINC000051991274 183302931 /nfs/dbraw/zinc/30/29/31/183302931.db2.gz OXIYYLGPQMPKBV-AAEUAGOBSA-N 1 0 221.300 1.785 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCCOC1 ZINC000071011193 183303127 /nfs/dbraw/zinc/30/31/27/183303127.db2.gz NVAMIBXXCMVUAE-NSHDSACASA-N 1 0 207.273 1.661 20 10 BDCDRO Oc1ccccc1C[NH2+]CCc1cn[nH]c1 ZINC000289852395 183303952 /nfs/dbraw/zinc/30/39/52/183303952.db2.gz NXDOLOLXUGVHNZ-UHFFFAOYSA-N 1 0 217.272 1.448 20 10 BDCDRO CCCNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000109770301 169219414 /nfs/dbraw/zinc/21/94/14/169219414.db2.gz YFZKMHITSQPTLI-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO c1cc(C[NH2+]C[C@H]2COCCO2)cc2c1OCC2 ZINC000038052588 183367699 /nfs/dbraw/zinc/36/76/99/183367699.db2.gz NSGCCTCJKARSJY-ZDUSSCGKSA-N 1 0 249.310 1.127 20 10 BDCDRO C[C@@H](CCCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000088503478 383904039 /nfs/dbraw/zinc/90/40/39/383904039.db2.gz ZDUXYTYBCGMZIS-NSHDSACASA-N 1 0 235.327 1.872 20 10 BDCDRO C[C@@H]([NH2+]C1CC1)C(=O)N(C)Cc1ccccc1O ZINC000296454132 384140567 /nfs/dbraw/zinc/14/05/67/384140567.db2.gz OJCGOTAPTJKRMY-SNVBAGLBSA-N 1 0 248.326 1.491 20 10 BDCDRO COC(=O)CCC[N@H+](C)Cc1ccccc1O ZINC000117340675 384171586 /nfs/dbraw/zinc/17/15/86/384171586.db2.gz BANPFEMJUNBSAT-UHFFFAOYSA-N 1 0 237.299 1.777 20 10 BDCDRO C[N@H+](Cc1ccccc1O)[C@H]1CCOC1 ZINC000132772099 384248754 /nfs/dbraw/zinc/24/87/54/384248754.db2.gz DDXWSEYTYWAFIY-NSHDSACASA-N 1 0 207.273 1.613 20 10 BDCDRO CC[N@H+](CCO)Cc1ccc(N(C)C)c(F)c1 ZINC000158657819 384254796 /nfs/dbraw/zinc/25/47/96/384254796.db2.gz JEQVHWQHEMBHMI-UHFFFAOYSA-N 1 0 240.322 1.706 20 10 BDCDRO C[C@H]([NH2+]CC(C)(C)O)c1ccccc1O ZINC000083461040 384306399 /nfs/dbraw/zinc/30/63/99/384306399.db2.gz DBRYTHBIAFUBQP-VIFPVBQESA-N 1 0 209.289 1.814 20 10 BDCDRO COC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094618276 384306717 /nfs/dbraw/zinc/30/67/17/384306717.db2.gz SEPVVXWBBRPPTM-SCZZXKLOSA-N 1 0 243.278 1.189 20 10 BDCDRO C[C@@H](CO)C[NH2+][C@H](C)c1ccccc1O ZINC000083215434 384290381 /nfs/dbraw/zinc/29/03/81/384290381.db2.gz VZSFWQZCKKDXQX-NXEZZACHSA-N 1 0 209.289 1.671 20 10 BDCDRO C[C@H](CO)C[NH2+][C@@H](C)c1ccccc1O ZINC000083215428 384290416 /nfs/dbraw/zinc/29/04/16/384290416.db2.gz VZSFWQZCKKDXQX-UWVGGRQHSA-N 1 0 209.289 1.671 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@]2(C)CCOC2)c1 ZINC000120219939 384337007 /nfs/dbraw/zinc/33/70/07/384337007.db2.gz LVDQYCYSVHYLAD-CYBMUJFWSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CO)c(O)c1 ZINC000035602321 384411724 /nfs/dbraw/zinc/41/17/24/384411724.db2.gz VXJYERNHSDQEKW-NXEZZACHSA-N 1 0 209.289 1.732 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)O)c(O)c1 ZINC000035601540 384412507 /nfs/dbraw/zinc/41/25/07/384412507.db2.gz YPIMBHDITIXSNT-ZJUUUORDSA-N 1 0 209.289 1.732 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)O)c1 ZINC000035629070 384418161 /nfs/dbraw/zinc/41/81/61/384418161.db2.gz WFPWAOXCHZCBEI-ZJUUUORDSA-N 1 0 209.289 1.732 20 10 BDCDRO C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000120821369 384384044 /nfs/dbraw/zinc/38/40/44/384384044.db2.gz GJLMVLIBOKYEQM-GWCFXTLKSA-N 1 0 233.311 1.889 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000096478845 384461445 /nfs/dbraw/zinc/46/14/45/384461445.db2.gz SZXLIDWDOZATJG-AWEZNQCLSA-N 1 0 235.327 1.872 20 10 BDCDRO C[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000096811639 384480278 /nfs/dbraw/zinc/48/02/78/384480278.db2.gz KTIRRCPSZPBDNN-SNVBAGLBSA-N 1 0 221.300 1.482 20 10 BDCDRO CC[C@](C)(CO)[NH2+]Cc1cc(OC)ccc1O ZINC000080886384 384589925 /nfs/dbraw/zinc/58/99/25/384589925.db2.gz TWPRLAVIYIFZAK-CYBMUJFWSA-N 1 0 239.315 1.651 20 10 BDCDRO Cc1ccc(O)c(CN(C)Cc2nncn2C)c1 ZINC000290257112 384631419 /nfs/dbraw/zinc/63/14/19/384631419.db2.gz WFOWFASWAHJTNO-UHFFFAOYSA-N 1 0 246.314 1.461 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]CCOCCO)c(O)c1 ZINC000020199202 384595482 /nfs/dbraw/zinc/59/54/82/384595482.db2.gz KNXFRXBAPQDZND-LLVKDONJSA-N 1 0 239.315 1.360 20 10 BDCDRO C[C@H](O)CC[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111419 385074953 /nfs/dbraw/zinc/07/49/53/385074953.db2.gz IMBXBDCOBBKTQQ-IUCAKERBSA-N 1 0 227.279 1.953 20 10 BDCDRO C[C@@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111424 385076173 /nfs/dbraw/zinc/07/61/73/385076173.db2.gz IJJORDKEBAVHLH-BDAKNGLRSA-N 1 0 227.279 1.810 20 10 BDCDRO Cc1nnc(CC[NH2+]Cc2ccccc2O)s1 ZINC000289728224 385304252 /nfs/dbraw/zinc/30/42/52/385304252.db2.gz FZOSRIMLKKHOOE-UHFFFAOYSA-N 1 0 249.339 1.884 20 10 BDCDRO O=C(C=Cc1c[nH]cn1)N1CCCc2n[nH]cc21 ZINC000492813591 385439647 /nfs/dbraw/zinc/43/96/47/385439647.db2.gz PTZUZWVHZHZHED-ARJAWSKDSA-N 1 0 243.270 1.125 20 10 BDCDRO COC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000179582928 385475682 /nfs/dbraw/zinc/47/56/82/385475682.db2.gz WCFBBGSXOXONKM-AWEZNQCLSA-N 1 0 249.310 1.777 20 10 BDCDRO C[C@@H](CCO)CC[NH2+]Cc1ccccc1O ZINC000295149503 385459364 /nfs/dbraw/zinc/45/93/64/385459364.db2.gz QZLUPBGCGRUVFY-LLVKDONJSA-N 1 0 223.316 1.890 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000156654902 385464083 /nfs/dbraw/zinc/46/40/83/385464083.db2.gz AONQCUZCVVNYFQ-NXEZZACHSA-N 1 0 236.315 1.334 20 10 BDCDRO C[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccccc1O ZINC000272864230 385945021 /nfs/dbraw/zinc/94/50/21/385945021.db2.gz NLFPUZFQVHALLO-GHMZBOCLSA-N 1 0 246.314 1.723 20 10 BDCDRO CCOc1cccc(C[N@H+](C)[C@@H](C)CO)c1O ZINC000289386200 386296107 /nfs/dbraw/zinc/29/61/07/386296107.db2.gz DFJISQKCNJBOGQ-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO CN(CC[N@H+](C)C1CC1)Cc1ccccc1O ZINC000290443427 386435481 /nfs/dbraw/zinc/43/54/81/386435481.db2.gz LXHDXYTZVOHDAI-UHFFFAOYSA-N 1 0 234.343 1.918 20 10 BDCDRO CCN(CC[NH2+]Cc1ccccc1O)C1CC1 ZINC000227550929 386492743 /nfs/dbraw/zinc/49/27/43/386492743.db2.gz XYVGZOHNERAGPY-UHFFFAOYSA-N 1 0 234.343 1.966 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(F)c(F)c1[O-] ZINC000295987799 386710467 /nfs/dbraw/zinc/71/04/67/386710467.db2.gz PHEVGJFSEAUYGX-PRJMDXOYSA-N 1 0 243.253 1.844 20 10 BDCDRO CC[C@]1(C(=O)Nc2ccc(N)cc2)CC[NH2+]C1 ZINC000119220435 387552275 /nfs/dbraw/zinc/55/22/75/387552275.db2.gz FHFCKUVRBLUXPW-ZDUSSCGKSA-N 1 0 233.315 1.597 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000234903072 388363699 /nfs/dbraw/zinc/36/36/99/388363699.db2.gz BJRIDLNRQGBHAX-NSHDSACASA-N 1 0 207.273 1.613 20 10 BDCDRO CC(C)(O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297880737 388431496 /nfs/dbraw/zinc/43/14/96/388431496.db2.gz VBZHQOMRGPWBKQ-JTQLQIEISA-N 1 0 221.300 1.740 20 10 BDCDRO CC[N@H+](C)Cc1ccc(N2CCOCC2)cc1 ZINC000071123990 132391597 /nfs/dbraw/zinc/39/15/97/132391597.db2.gz VEMBFXFBCDFTQD-UHFFFAOYSA-N 1 0 234.343 1.975 20 10 BDCDRO C[N@H+](CCCO)Cc1c(O)cccc1Cl ZINC000281671973 398061733 /nfs/dbraw/zinc/06/17/33/398061733.db2.gz DJZWHZAMWIDPJO-UHFFFAOYSA-N 1 0 229.707 1.860 20 10 BDCDRO CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179554753 172386652 /nfs/dbraw/zinc/38/66/52/172386652.db2.gz WGESFGIBZGPZGY-GFCCVEGCSA-N 1 0 248.326 1.445 20 10 BDCDRO C[NH+](C)C/C=C/C(=O)NCc1ccccc1O ZINC000269149866 172399199 /nfs/dbraw/zinc/39/91/99/172399199.db2.gz PKVIMSTUTXFXME-VMPITWQZSA-N 1 0 234.299 1.126 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C1CC[NH2+]CC1 ZINC000037823728 172878025 /nfs/dbraw/zinc/87/80/25/172878025.db2.gz QSPGEMXCOFRXIE-UHFFFAOYSA-N 1 0 248.326 1.350 20 10 BDCDRO CN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000042546030 173123963 /nfs/dbraw/zinc/12/39/63/173123963.db2.gz XQFLFERGZXYKHM-CYBMUJFWSA-N 1 0 232.327 1.415 20 10 BDCDRO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000179574328 173298427 /nfs/dbraw/zinc/29/84/27/173298427.db2.gz RNKOTJNGXFBYQS-GFCCVEGCSA-N 1 0 248.326 1.350 20 10 BDCDRO COCC[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000281375850 174389420 /nfs/dbraw/zinc/38/94/20/174389420.db2.gz VWBFAGWCRUTODP-NSHDSACASA-N 1 0 243.278 1.018 20 10 BDCDRO COc1cc(N(C)CC[NH3+])cc(OC)c1OC ZINC000020239797 174995385 /nfs/dbraw/zinc/99/53/85/174995385.db2.gz DCTYHKLHHLTLKY-UHFFFAOYSA-N 1 0 240.303 1.107 20 10 BDCDRO COc1ccc(O)c(C[N@@H+](C)C[C@@H](C)OC)c1 ZINC000289649718 175157064 /nfs/dbraw/zinc/15/70/64/175157064.db2.gz MTLAAJYCEUUOGK-SNVBAGLBSA-N 1 0 239.315 1.868 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1 ZINC000375286503 175158062 /nfs/dbraw/zinc/15/80/62/175158062.db2.gz JOMKAOAHLXWGQQ-ZDUSSCGKSA-N 1 0 249.310 1.358 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC(C)(C)O)c1 ZINC000083461051 175158561 /nfs/dbraw/zinc/15/85/61/175158561.db2.gz CUDPIEKCRMJIAW-UHFFFAOYSA-N 1 0 225.288 1.261 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CF)c1 ZINC000290279746 175158819 /nfs/dbraw/zinc/15/88/19/175158819.db2.gz YYWRAWUWYAAKBK-QMMMGPOBSA-N 1 0 213.252 1.848 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2CCN(C)C2)c1O ZINC000042544200 175268426 /nfs/dbraw/zinc/26/84/26/175268426.db2.gz UXOJSZFATRWJHK-NSHDSACASA-N 1 0 236.315 1.195 20 10 BDCDRO C[C@@H](CN(C)C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000168625167 175699740 /nfs/dbraw/zinc/69/97/40/175699740.db2.gz JAILGYGFEKYZBC-LBPRGKRZSA-N 1 0 235.375 1.792 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N)cc2)CCCO1 ZINC000061912848 176304084 /nfs/dbraw/zinc/30/40/84/176304084.db2.gz BQWQYPRTWLEMNY-LLVKDONJSA-N 1 0 220.316 1.880 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000294873980 176579912 /nfs/dbraw/zinc/57/99/12/176579912.db2.gz CQOFXJYUUJXALP-JGVFFNPUSA-N 1 0 207.277 1.191 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000112011583 177163767 /nfs/dbraw/zinc/16/37/67/177163767.db2.gz WFGYCGFUFQWLMT-VIFPVBQESA-N 1 0 235.283 1.963 20 10 BDCDRO C[C@H]1C[C@@H]1C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000134228095 177345453 /nfs/dbraw/zinc/34/54/53/177345453.db2.gz YRVMBJJOFHNVQQ-DTWKUNHWSA-N 1 0 235.283 1.867 20 10 BDCDRO CCOc1ccc(C[NH2+]CC2COC2)c(O)c1 ZINC000527817194 323685809 /nfs/dbraw/zinc/68/58/09/323685809.db2.gz LKRAXRWXZVQGJQ-UHFFFAOYSA-N 1 0 237.299 1.527 20 10 BDCDRO C[NH2+]C[C@H](C)NC/C=C\c1ccc(N(C)C)cc1 ZINC000853248712 588729207 /nfs/dbraw/zinc/72/92/07/588729207.db2.gz IUIPPLPXHQUSHD-SZZPACECSA-N 1 0 247.386 1.963 20 10 BDCDRO Cc1cc(O)c(CN2CC[NH2+]CC2)c(Cl)c1 ZINC000217083496 582805471 /nfs/dbraw/zinc/80/54/71/582805471.db2.gz QJLSKTYMIRGWPJ-UHFFFAOYSA-N 1 0 240.734 1.759 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@H]2CCOC2)c1O ZINC000894355518 583434649 /nfs/dbraw/zinc/43/46/49/583434649.db2.gz XXPZQEGEABLBCV-NSHDSACASA-N 1 0 237.299 1.588 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@@H]2CCOC2)c1O ZINC000894355517 583435114 /nfs/dbraw/zinc/43/51/14/583435114.db2.gz XXPZQEGEABLBCV-LLVKDONJSA-N 1 0 237.299 1.588 20 10 BDCDRO COc1cc(C)cc(C[N@H+](C)CCCO)c1O ZINC000894664815 583502203 /nfs/dbraw/zinc/50/22/03/583502203.db2.gz SPCODDWLBASFJD-UHFFFAOYSA-N 1 0 239.315 1.523 20 10 BDCDRO COc1ccc(C[NH2+]C[C@@H]2COCO2)cc1C ZINC000894871697 583540331 /nfs/dbraw/zinc/54/03/31/583540331.db2.gz VSVUWUZYDMYJFO-GFCCVEGCSA-N 1 0 237.299 1.466 20 10 BDCDRO CCOc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c(O)c1 ZINC000895645428 583700384 /nfs/dbraw/zinc/70/03/84/583700384.db2.gz BZBLIGQYEDUEQO-BXUZGUMPSA-N 1 0 249.310 1.358 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c(O)c1 ZINC000895780124 583728592 /nfs/dbraw/zinc/72/85/92/583728592.db2.gz BNUHBMHTIXSZJB-YUTCNCBUSA-N 1 0 247.338 1.903 20 10 BDCDRO COCC1C[NH+](Cc2c(C)cccc2O)C1 ZINC000895969891 583755677 /nfs/dbraw/zinc/75/56/77/583755677.db2.gz QQQNZOHSXYQRDA-UHFFFAOYSA-N 1 0 221.300 1.779 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000896383886 583798364 /nfs/dbraw/zinc/79/83/64/583798364.db2.gz GDFMPMQGEJJFPT-LBPRGKRZSA-N 1 0 249.310 1.587 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCN2C)c(O)c1 ZINC000896594794 583816926 /nfs/dbraw/zinc/81/69/26/583816926.db2.gz DAOGVPZQDGZFEE-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCN(C)C1=O)c1ccccc1O ZINC000120855947 583850511 /nfs/dbraw/zinc/85/05/11/583850511.db2.gz AHWDXIFYPVROOO-MWLCHTKSSA-N 1 0 234.299 1.274 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@@H](C)[C@H](O)C2)c(O)c1 ZINC000897675614 584035498 /nfs/dbraw/zinc/03/54/98/584035498.db2.gz AUWIAENZJMZSSZ-ZWNOBZJWSA-N 1 0 221.300 1.513 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@H]1NCc1ccccc1O ZINC000841059062 584125817 /nfs/dbraw/zinc/12/58/17/584125817.db2.gz LHRFRMQUBYLLIB-ZYHUDNBSSA-N 1 0 220.316 1.480 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000858495258 588960524 /nfs/dbraw/zinc/96/05/24/588960524.db2.gz YWMIUNFAFKGXAJ-GMTAPVOTSA-N 1 0 248.326 1.615 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]CCCON)c(O)c1 ZINC000902425358 584593835 /nfs/dbraw/zinc/59/38/35/584593835.db2.gz MQLAJLMEHIBJOY-SNVBAGLBSA-N 1 0 224.304 1.632 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000904355998 584871230 /nfs/dbraw/zinc/87/12/30/584871230.db2.gz ZHTGWJFQAOBRSI-QWRGUYRKSA-N 1 0 234.343 1.837 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2CC[NH2+]C2(C)C)c1 ZINC000841085452 584883438 /nfs/dbraw/zinc/88/34/38/584883438.db2.gz CQHUCOPUYZPXJP-ZDUSSCGKSA-N 1 0 234.343 1.931 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CCCOC2)c(O)c1 ZINC000877007895 584888800 /nfs/dbraw/zinc/88/88/00/584888800.db2.gz HSEKWUOPSDDBIK-LBPRGKRZSA-N 1 0 221.300 1.969 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cccc(C)c1O ZINC000839193118 585097804 /nfs/dbraw/zinc/09/78/04/585097804.db2.gz PKIGNLWPLWGNRP-NWDGAFQWSA-N 1 0 237.299 1.204 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)OC ZINC000742381125 585125387 /nfs/dbraw/zinc/12/53/87/585125387.db2.gz XRJRZGNENMIIEZ-UHFFFAOYSA-N 1 0 239.315 1.915 20 10 BDCDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000765794964 585492739 /nfs/dbraw/zinc/49/27/39/585492739.db2.gz GOLGTKMDZJJSCX-NEPJUHHUSA-N 1 0 248.326 1.397 20 10 BDCDRO C[C@@H](Cc1cnn(C)c1)[NH2+]Cc1ccccc1O ZINC000768400931 585538029 /nfs/dbraw/zinc/53/80/29/585538029.db2.gz BODBABPFVDYDNJ-NSHDSACASA-N 1 0 245.326 1.847 20 10 BDCDRO CCC[N@H+](C)Cc1cc2c(cc1O)OC[C@@H]2O ZINC000768441263 585538544 /nfs/dbraw/zinc/53/85/44/585538544.db2.gz YAHCFTOKPNERCU-LBPRGKRZSA-N 1 0 237.299 1.660 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCNC2=O)c1 ZINC000770377669 585573295 /nfs/dbraw/zinc/57/32/95/585573295.db2.gz BDCUJJLZVNJWAF-LLVKDONJSA-N 1 0 234.299 1.021 20 10 BDCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccccc1O ZINC000775987311 585688940 /nfs/dbraw/zinc/68/89/40/585688940.db2.gz VKSQXHBMKHJWEF-NWDGAFQWSA-N 1 0 234.343 1.917 20 10 BDCDRO Cc1cc(O)c(C[N@H+]2C[C@H](O)C[C@H]2C)cc1C ZINC000788271149 585920684 /nfs/dbraw/zinc/92/06/84/585920684.db2.gz ZFINUBFKVCKIBR-DGCLKSJQSA-N 1 0 235.327 1.964 20 10 BDCDRO CCOc1ccc(O)c(C[N@H+](C)CCCO)c1 ZINC000799739686 586195202 /nfs/dbraw/zinc/19/52/02/586195202.db2.gz OTNGNGFYJWYQPC-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](C)CCOCCO)c1 ZINC000800544825 586224847 /nfs/dbraw/zinc/22/48/47/586224847.db2.gz GFDUTLLGRJEXIC-UHFFFAOYSA-N 1 0 239.315 1.141 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CC(C)C2)c1 ZINC000802651661 586307563 /nfs/dbraw/zinc/30/75/63/586307563.db2.gz VZOSXVJTVHHTRV-UHFFFAOYSA-N 1 0 207.273 1.853 20 10 BDCDRO OC[C@@]1(F)CC[N@H+](Cc2ccccc2O)C1 ZINC000802660975 586308700 /nfs/dbraw/zinc/30/87/00/586308700.db2.gz BLBKWHHVDABBEJ-GFCCVEGCSA-N 1 0 225.263 1.299 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)C1CC1 ZINC000809750928 586517145 /nfs/dbraw/zinc/51/71/45/586517145.db2.gz CAMILIZLYVBQHG-CYBMUJFWSA-N 1 0 221.300 1.595 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)C[C@H]2C[C@@H](O)C2)cc1 ZINC000817274238 586792254 /nfs/dbraw/zinc/79/22/54/586792254.db2.gz GZLOPDZCJSRJJZ-OTVXOJSOSA-N 1 0 248.370 1.955 20 10 BDCDRO CN(C)c1ccc(CN[C@H]2CCC[C@H]2[NH3+])cc1 ZINC000817894129 586833760 /nfs/dbraw/zinc/83/37/60/586833760.db2.gz BYCDORRBKJPBFS-KGLIPLIRSA-N 1 0 233.359 1.722 20 10 BDCDRO C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817934968 586843099 /nfs/dbraw/zinc/84/30/99/586843099.db2.gz DEGQFFIJEMJYHE-SECBINFHSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1cc(F)ccc1O ZINC000817951619 586847712 /nfs/dbraw/zinc/84/77/12/586847712.db2.gz HOSVXMSNMAKAKG-GXSJLCMTSA-N 1 0 238.306 1.934 20 10 BDCDRO C[NH2+]CCN[C@H]1CCc2cccc(O)c21 ZINC000817952648 586848670 /nfs/dbraw/zinc/84/86/70/586848670.db2.gz RZBKCELBNXOGHL-JTQLQIEISA-N 1 0 206.289 1.189 20 10 BDCDRO C[C@@H]1C[C@@H](NC2C[NH2+]C2)c2c1c(F)ccc2O ZINC000817955440 586849882 /nfs/dbraw/zinc/84/98/82/586849882.db2.gz AVZBVQWXOLELBU-GMSGAONNSA-N 1 0 236.290 1.641 20 10 BDCDRO COCCNCC[NH2+][C@@H](C)c1ccccc1O ZINC000817965749 586855530 /nfs/dbraw/zinc/85/55/30/586855530.db2.gz ZQCVKABJQUCHKS-NSHDSACASA-N 1 0 238.331 1.279 20 10 BDCDRO CCOc1ccc(C[NH2+][C@@H]2CCOC2)c(O)c1 ZINC000818235825 586881563 /nfs/dbraw/zinc/88/15/63/586881563.db2.gz GJHWBKUNRGMEAX-LLVKDONJSA-N 1 0 237.299 1.669 20 10 BDCDRO CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(N)cc1 ZINC000818556488 586900652 /nfs/dbraw/zinc/90/06/52/586900652.db2.gz VGCAZAAFDWBBAC-JTQLQIEISA-N 1 0 219.288 1.205 20 10 BDCDRO O=C(C[NH+]1CCCC1)NCc1ccccc1O ZINC000821060522 587092174 /nfs/dbraw/zinc/09/21/74/587092174.db2.gz HKUGFPWKAZHHHI-UHFFFAOYSA-N 1 0 234.299 1.104 20 10 BDCDRO COC[C@@](C)(O)CC[NH2+]Cc1ccccc1O ZINC000824559384 587276274 /nfs/dbraw/zinc/27/62/74/587276274.db2.gz RXMSVTFVHDKYFY-ZDUSSCGKSA-N 1 0 239.315 1.269 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@H](O)C2)cc1Cl ZINC000824567401 587276725 /nfs/dbraw/zinc/27/67/25/587276725.db2.gz SJZRSAKIEJIOKM-JTQLQIEISA-N 1 0 241.718 1.921 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)O)cc1Cl ZINC000825378643 587317622 /nfs/dbraw/zinc/31/76/22/587317622.db2.gz CQRBNXJOESQWQA-MRVPVSSYSA-N 1 0 229.707 1.824 20 10 BDCDRO C[C@@H](O)C1([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000827579904 587389947 /nfs/dbraw/zinc/38/99/47/587389947.db2.gz LANARPURSWWWON-SNVBAGLBSA-N 1 0 233.311 1.625 20 10 BDCDRO O=CN1CCC[N@@H+](Cc2ccccc2O)CC1 ZINC000827877053 587406828 /nfs/dbraw/zinc/40/68/28/587406828.db2.gz GXLCQEOWNXJSRJ-UHFFFAOYSA-N 1 0 234.299 1.056 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000832244012 587652390 /nfs/dbraw/zinc/65/23/90/587652390.db2.gz FDZCZZCBFUYEEF-MRVPVSSYSA-N 1 0 229.230 1.190 20 10 BDCDRO CC(C)C(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284804 587653409 /nfs/dbraw/zinc/65/34/09/587653409.db2.gz MSFTVTFPJIOEIO-CYBMUJFWSA-N 1 0 249.358 1.525 20 10 BDCDRO C[C@H](CNC(=O)C1=CC(=O)CS1)C[NH+](C)C ZINC000832565106 587666915 /nfs/dbraw/zinc/66/69/15/587666915.db2.gz PGFXLJBKFQQFLM-MRVPVSSYSA-N 1 0 242.344 1.381 20 10 BDCDRO C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@H]1[NH3+] ZINC000832736870 587681400 /nfs/dbraw/zinc/68/14/00/587681400.db2.gz FIQGNKIABHFZIO-GXFFZTMASA-N 1 0 247.342 1.007 20 10 BDCDRO C[C@H](CO)[NH2+]C/C=C/c1ccc(N(C)C)cc1 ZINC000835037021 587779286 /nfs/dbraw/zinc/77/92/86/587779286.db2.gz UDEPFRLSWMRNEY-ZYOFXKKJSA-N 1 0 234.343 1.736 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1C ZINC000840942183 587931217 /nfs/dbraw/zinc/93/12/17/587931217.db2.gz VAXZGLCAMBWUCL-UHFFFAOYSA-N 1 0 249.358 1.368 20 10 BDCDRO COc1cccc(O)c1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026422 587935561 /nfs/dbraw/zinc/93/55/61/587935561.db2.gz BEMROARJHZPSSO-PWSUYJOCSA-N 1 0 248.326 1.195 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H](CN)C2CC2)cc1 ZINC000841027485 587936443 /nfs/dbraw/zinc/93/64/43/587936443.db2.gz BYUAIVVLONPBQK-CQSZACIVSA-N 1 0 233.359 1.580 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](CN)C2CC2)c1 ZINC000841027763 587936508 /nfs/dbraw/zinc/93/65/08/587936508.db2.gz FXVQMQJGRDOLAB-GFCCVEGCSA-N 1 0 220.316 1.528 20 10 BDCDRO CC(C)[C@H]([NH3+])CNCc1cc(F)ccc1O ZINC000841031763 587937178 /nfs/dbraw/zinc/93/71/78/587937178.db2.gz WQXUMVLMIUDZKZ-LLVKDONJSA-N 1 0 226.295 1.604 20 10 BDCDRO C[NH2+]CCNCc1ccc(N(C)C)c(F)c1 ZINC000841037279 587937736 /nfs/dbraw/zinc/93/77/36/587937736.db2.gz WFSIBOYBWVBFFA-UHFFFAOYSA-N 1 0 225.311 1.201 20 10 BDCDRO CCOC[C@@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000841036575 587937954 /nfs/dbraw/zinc/93/79/54/587937954.db2.gz WFSJZKPUUKWKBA-LLVKDONJSA-N 1 0 222.332 1.826 20 10 BDCDRO CCN(CC)c1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000841045618 587939214 /nfs/dbraw/zinc/93/92/14/587939214.db2.gz ZCDZYVYGMCYQOM-CQSZACIVSA-N 1 0 247.386 1.984 20 10 BDCDRO CC(C)C[NH2+]C[C@@H](N)c1ccc(N(C)C)cc1 ZINC000841046303 587939269 /nfs/dbraw/zinc/93/92/69/587939269.db2.gz ZOIANTYLNDPVTR-CQSZACIVSA-N 1 0 235.375 1.998 20 10 BDCDRO COc1ccc(CNC[C@@H]([NH3+])C2CC2)cc1C ZINC000841049740 587939935 /nfs/dbraw/zinc/93/99/35/587939935.db2.gz NKPDJAYAELMHQV-CYBMUJFWSA-N 1 0 234.343 1.831 20 10 BDCDRO COc1ccc(CN[C@H](C)C[NH3+])cc1C ZINC000841060392 587941136 /nfs/dbraw/zinc/94/11/36/587941136.db2.gz XXQRAPJQXZJGCP-SNVBAGLBSA-N 1 0 208.305 1.440 20 10 BDCDRO CCOc1ccc(O)c(CN[C@@H](C)C[NH3+])c1 ZINC000841062749 587941493 /nfs/dbraw/zinc/94/14/93/587941493.db2.gz CZHQUNZUBSRMPH-VIFPVBQESA-N 1 0 224.304 1.228 20 10 BDCDRO C[C@H](C[NH3+])NCc1ccc(N(C)C)c(F)c1 ZINC000841060208 587941991 /nfs/dbraw/zinc/94/19/91/587941991.db2.gz UJBGNCBHADCKJF-SECBINFHSA-N 1 0 225.311 1.329 20 10 BDCDRO C[C@@H](C[NH3+])NC/C=C\c1ccc(N(C)C)cc1 ZINC000841067477 587942842 /nfs/dbraw/zinc/94/28/42/587942842.db2.gz ZLKRYKFIDBVGJG-RXNFCKPNSA-N 1 0 233.359 1.703 20 10 BDCDRO C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000841758136 587974441 /nfs/dbraw/zinc/97/44/41/587974441.db2.gz DAOFVWHLHSGDGZ-GYSYKLTISA-N 1 0 233.311 1.883 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841890361 587981841 /nfs/dbraw/zinc/98/18/41/587981841.db2.gz ADRYYXJFSOKBCG-GSJFWJNXSA-N 1 0 237.299 1.404 20 10 BDCDRO [NH3+]C[C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843046926 588075939 /nfs/dbraw/zinc/07/59/39/588075939.db2.gz FMUKHBMASMQTNV-SNVBAGLBSA-N 1 0 238.306 1.702 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2cc(C)c(C)cc2O)C1 ZINC000843045797 588076031 /nfs/dbraw/zinc/07/60/31/588076031.db2.gz WKJUASXXOAVTPX-ZDUSSCGKSA-N 1 0 234.343 1.803 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1ccccc1O ZINC000843066107 588078477 /nfs/dbraw/zinc/07/84/77/588078477.db2.gz SLJGLBGWNXNQHK-PHIMTYICSA-N 1 0 220.316 1.574 20 10 BDCDRO Cc1cc(Cl)cc(CN(C)C2C[NH2+]C2)c1O ZINC000843124621 588083659 /nfs/dbraw/zinc/08/36/59/588083659.db2.gz HTQHMVQGGBQSKF-UHFFFAOYSA-N 1 0 240.734 1.758 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@@H](NCCc2ccc(N)cc2)C1 ZINC000843127139 588085075 /nfs/dbraw/zinc/08/50/75/588085075.db2.gz ZRQPHGCBKYBMQS-FZMZJTMJSA-N 1 0 233.359 1.399 20 10 BDCDRO COc1ccc(N(C)CC[N@H+](C)CCO)cc1 ZINC000844401736 588190300 /nfs/dbraw/zinc/19/03/00/588190300.db2.gz PDFCMKPQDPGEJS-UHFFFAOYSA-N 1 0 238.331 1.056 20 10 BDCDRO COC(=O)CC1([NH2+]Cc2ccccc2O)CC1 ZINC000846026886 588253999 /nfs/dbraw/zinc/25/39/99/588253999.db2.gz HSCDQGLHPNAYNP-UHFFFAOYSA-N 1 0 235.283 1.578 20 10 BDCDRO C[C@@H](CCO)[N@H+](C)Cc1ccccc1O ZINC000846110945 588257397 /nfs/dbraw/zinc/25/73/97/588257397.db2.gz LNVLAFAKOHTMKA-JTQLQIEISA-N 1 0 209.289 1.595 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]C[C@@H](C)O)c1O ZINC000846137990 588258333 /nfs/dbraw/zinc/25/83/33/588258333.db2.gz QEOVCYYSVFFBJN-BDAKNGLRSA-N 1 0 225.288 1.432 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000846661762 588281613 /nfs/dbraw/zinc/28/16/13/588281613.db2.gz GDPWTPNRDGVVSB-CHWSQXEVSA-N 1 0 245.326 1.738 20 10 BDCDRO CCNC(=[NH2+])NCCCSc1nccs1 ZINC000849008437 588434055 /nfs/dbraw/zinc/43/40/55/588434055.db2.gz JEAOZLAEAXGYBY-UHFFFAOYSA-N 1 0 244.389 1.759 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C/C=C/CO)c(Cl)c1 ZINC000850357595 588538771 /nfs/dbraw/zinc/53/87/71/588538771.db2.gz OURBYOISLGAUGO-NSCUHMNNSA-N 1 0 241.718 1.992 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000850387953 588543301 /nfs/dbraw/zinc/54/33/01/588543301.db2.gz DOZKJYXMXWRGNY-QWHCGFSZSA-N 1 0 233.311 1.785 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1C[C@H](O)C1)CC2 ZINC000850579050 588561739 /nfs/dbraw/zinc/56/17/39/588561739.db2.gz RHOLVERVFLHICK-GMTAPVOTSA-N 1 0 219.284 1.492 20 10 BDCDRO CCN1CC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000851841494 588634273 /nfs/dbraw/zinc/63/42/73/588634273.db2.gz UBISZYARWFDVJO-LBPRGKRZSA-N 1 0 248.326 1.445 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccccc1O ZINC000863483135 589292841 /nfs/dbraw/zinc/29/28/41/589292841.db2.gz LCCZKOIGKNPJLT-NWDGAFQWSA-N 1 0 220.316 1.622 20 10 BDCDRO C[C@H]([NH2+]CC1(CO)CC1)c1cc(F)ccc1O ZINC000122329268 589581490 /nfs/dbraw/zinc/58/14/90/589581490.db2.gz PUUDZRQBVGGENC-VIFPVBQESA-N 1 0 239.290 1.954 20 10 BDCDRO C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988075 589706858 /nfs/dbraw/zinc/70/68/58/589706858.db2.gz FWQVTYRFTXPGIY-WDEREUQCSA-N 1 0 248.326 1.712 20 10 BDCDRO Oc1c(F)cccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873218193 589998510 /nfs/dbraw/zinc/99/85/10/589998510.db2.gz ZDVOCKOQLMUTKM-PHIMTYICSA-N 1 0 236.290 1.468 20 10 BDCDRO CCOc1cccc(C[NH2+][C@H](C)COC)c1O ZINC000019904645 590041151 /nfs/dbraw/zinc/04/11/51/590041151.db2.gz HDZXXOYPISHPSE-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO Nc1ccc(NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876504771 590203969 /nfs/dbraw/zinc/20/39/69/590203969.db2.gz WFNLQIGVOREDEZ-TXGYYHNKSA-N 1 0 245.326 1.763 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c(O)c1 ZINC000876511311 590205504 /nfs/dbraw/zinc/20/55/04/590205504.db2.gz DRDIPKPRSFGEAH-GFCCVEGCSA-N 1 0 248.326 1.398 20 10 BDCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876619903 590223274 /nfs/dbraw/zinc/22/32/74/590223274.db2.gz FNLHZRPXDJMPEF-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC000876659834 590227203 /nfs/dbraw/zinc/22/72/03/590227203.db2.gz HISFNTPZNJYKRH-LLVKDONJSA-N 1 0 221.300 1.515 20 10 BDCDRO COCCOCC[NH2+]Cc1ccc(C)cc1O ZINC000876968975 590262539 /nfs/dbraw/zinc/26/25/39/590262539.db2.gz LNOCQPUMRZAMSD-UHFFFAOYSA-N 1 0 239.315 1.453 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000876994749 590266791 /nfs/dbraw/zinc/26/67/91/590266791.db2.gz MHTRMQQKCJGADV-JTQLQIEISA-N 1 0 234.299 1.021 20 10 BDCDRO CC[S@@](=O)CC[NH2+]Cc1c(C)cccc1O ZINC000877041120 590273367 /nfs/dbraw/zinc/27/33/67/590273367.db2.gz IDTAISBXGWEIRS-MRXNPFEDSA-N 1 0 241.356 1.559 20 10 BDCDRO CC[S@](=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877041835 590273458 /nfs/dbraw/zinc/27/34/58/590273458.db2.gz PIGYRAFWOYOVIW-INIZCTEOSA-N 1 0 241.356 1.559 20 10 BDCDRO Cc1ccc(C[NH2+]C(C)(C)CCO)c(O)c1 ZINC000877042802 590273539 /nfs/dbraw/zinc/27/35/39/590273539.db2.gz XKFXCLVHPOMRFO-UHFFFAOYSA-N 1 0 223.316 1.951 20 10 BDCDRO CN(C(=O)[C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc(N)cc1 ZINC000877076609 590278582 /nfs/dbraw/zinc/27/85/82/590278582.db2.gz OHMSKTCZYITFOM-RYUDHWBXSA-N 1 0 247.342 1.605 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CC(N)=O ZINC000877094856 590281441 /nfs/dbraw/zinc/28/14/41/590281441.db2.gz UWNYBMFZFJVICU-SECBINFHSA-N 1 0 222.288 1.054 20 10 BDCDRO Cc1ccc(C[NH2+][C@]2(C)CCOC2)c(O)c1 ZINC000877121185 590289070 /nfs/dbraw/zinc/28/90/70/590289070.db2.gz PXYIFXMJMUZTGI-CYBMUJFWSA-N 1 0 221.300 1.969 20 10 BDCDRO COC[C@H](O)CC[NH2+]Cc1c(C)cccc1O ZINC000877123843 590289449 /nfs/dbraw/zinc/28/94/49/590289449.db2.gz PRAWLXJUTGXBPG-LLVKDONJSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1ccn(C)n1 ZINC000877125350 590290102 /nfs/dbraw/zinc/29/01/02/590290102.db2.gz LBQIKCYZHLBGFF-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H](C)N(C)C)c(O)c1 ZINC000877150630 590292702 /nfs/dbraw/zinc/29/27/02/590292702.db2.gz XTPZXBVRLRRIPO-NSHDSACASA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1n[nH]c(CC[NH2+]Cc2ccc(C)cc2O)n1 ZINC000877180235 590298081 /nfs/dbraw/zinc/29/80/81/590298081.db2.gz SEUNHOFWKWNLJF-UHFFFAOYSA-N 1 0 246.314 1.459 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c(O)c1 ZINC000877183262 590298324 /nfs/dbraw/zinc/29/83/24/590298324.db2.gz BECMAKMANVUXGM-RYUDHWBXSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)C[C@H](C)O)c(O)c1 ZINC000877195862 590299695 /nfs/dbraw/zinc/29/96/95/590299695.db2.gz PBDIYTNQKWHZFV-QWRGUYRKSA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@@H](NC(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1O ZINC000877256479 590304381 /nfs/dbraw/zinc/30/43/81/590304381.db2.gz XBZGFSSKKGBOBG-MWLCHTKSSA-N 1 0 246.310 1.617 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000877433983 590327105 /nfs/dbraw/zinc/32/71/05/590327105.db2.gz LCLVUBDQFLSKHU-AAEUAGOBSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1(CCO)CC1 ZINC000877442429 590329334 /nfs/dbraw/zinc/32/93/34/590329334.db2.gz IFXOCJZIDJEKRS-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC[C@H](C)O ZINC000877476901 590335746 /nfs/dbraw/zinc/33/57/46/590335746.db2.gz QRIYGZXHLFUKDD-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C(=O)NCC[C@@H]2C)c(O)c1 ZINC000877499635 590341103 /nfs/dbraw/zinc/34/11/03/590341103.db2.gz RNAYJPSLONIVJV-GXFFZTMASA-N 1 0 248.326 1.315 20 10 BDCDRO CCN1C[C@H]([NH2+]Cc2ccc(C)cc2O)CC1=O ZINC000877566891 590361978 /nfs/dbraw/zinc/36/19/78/590361978.db2.gz BNJRGGNUFSYVLL-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H]1CCCNC1=O ZINC000877586358 590368211 /nfs/dbraw/zinc/36/82/11/590368211.db2.gz BNJGKXWOYARNTA-NSHDSACASA-N 1 0 248.326 1.316 20 10 BDCDRO COC(=O)C1(C)C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877599471 590371348 /nfs/dbraw/zinc/37/13/48/590371348.db2.gz AQXBZJRTKIOAFI-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C/C=C\CO ZINC000877624791 590377199 /nfs/dbraw/zinc/37/71/99/590377199.db2.gz RWSZOXLBBNWJBU-IHWYPQMZSA-N 1 0 207.273 1.339 20 10 BDCDRO Cc1ccc(C[NH2+]C2CSC2)c(O)c1 ZINC000877634593 590380179 /nfs/dbraw/zinc/38/01/79/590380179.db2.gz SJVPENNHOGJUKT-UHFFFAOYSA-N 1 0 209.314 1.906 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000877653573 590385249 /nfs/dbraw/zinc/38/52/49/590385249.db2.gz NPYNPEQKNFNBMH-MGCOHNPYSA-N 1 0 234.299 1.054 20 10 BDCDRO C[C@H]([NH2+]CCC1OCCO1)c1ccccc1O ZINC000879650693 590841515 /nfs/dbraw/zinc/84/15/15/590841515.db2.gz NZEKWQIEQAJSBK-JTQLQIEISA-N 1 0 237.299 1.806 20 10 BDCDRO C[C@H](CCO)[NH2+]Cc1ccc2c(c1)CCCN2C ZINC000132443420 591710100 /nfs/dbraw/zinc/71/01/00/591710100.db2.gz HQCGUVWHCJSTJV-GFCCVEGCSA-N 1 0 248.370 1.930 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC[C@H](O)C2)c1O ZINC000132479555 591712370 /nfs/dbraw/zinc/71/23/70/591712370.db2.gz HGUGINYYIJHURZ-LBPRGKRZSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(CN2CC[NH2+][C@@H](C)C2)c1O ZINC000132481978 591713601 /nfs/dbraw/zinc/71/36/01/591713601.db2.gz QPMAAKRBXZQNEA-NSHDSACASA-N 1 0 220.316 1.494 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]([NH3+])CC1CC1 ZINC000302666578 592550992 /nfs/dbraw/zinc/55/09/92/592550992.db2.gz KGMXIFFUDAPJFB-GFCCVEGCSA-N 1 0 248.326 1.478 20 10 BDCDRO C[C@H]([NH2+][C@H]1CNOC1)c1cc(Cl)ccc1O ZINC000925869668 635578390 /nfs/dbraw/zinc/57/83/90/635578390.db2.gz OHVAIEVVLWOQAY-CBAPKCEASA-N 1 0 242.706 1.600 20 10 BDCDRO C[C@H](O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297542393 631236481 /nfs/dbraw/zinc/23/64/81/631236481.db2.gz FCNZENBVOXVPQQ-GXSJLCMTSA-N 1 0 221.300 1.740 20 10 BDCDRO C[C@H](C[NH3+])NCc1ccc(N(C)C)cc1 ZINC000162082978 632872817 /nfs/dbraw/zinc/87/28/17/632872817.db2.gz KIPUAWUECVAZQO-SNVBAGLBSA-N 1 0 207.321 1.189 20 10 BDCDRO O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccccc1O ZINC000310876089 633012765 /nfs/dbraw/zinc/01/27/65/633012765.db2.gz VHCHFBPNTYRYTE-LBPRGKRZSA-N 1 0 248.326 1.541 20 10 BDCDRO CC[S@](=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000163978859 633068430 /nfs/dbraw/zinc/06/84/30/633068430.db2.gz HHEDPFKAYLNQAQ-QLJPJBMISA-N 1 0 241.356 1.811 20 10 BDCDRO [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000168403636 633143645 /nfs/dbraw/zinc/14/36/45/633143645.db2.gz XELJMMZJNPWMJB-ZYHUDNBSSA-N 1 0 248.326 1.526 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000168830413 633150634 /nfs/dbraw/zinc/15/06/34/633150634.db2.gz DSQBONJJNUCYSL-SFYZADRCSA-N 1 0 240.278 1.446 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)CC(N)=O)c1O ZINC000162704708 634296421 /nfs/dbraw/zinc/29/64/21/634296421.db2.gz ZIQVBPYOGJWKIE-VIFPVBQESA-N 1 0 222.288 1.054 20 10 BDCDRO CC(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC000005097784 635210969 /nfs/dbraw/zinc/21/09/69/635210969.db2.gz JKWXVJGHRJHYCY-CQSZACIVSA-N 1 0 249.358 1.491 20 10 BDCDRO Cc1cccc(C[NH2+]C2(CO)CC2)c1O ZINC000162983887 635290503 /nfs/dbraw/zinc/29/05/03/635290503.db2.gz CMQMFGBDLWACGL-UHFFFAOYSA-N 1 0 207.273 1.315 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CC23CC(O)C3)c(O)c1 ZINC000897841946 636836408 /nfs/dbraw/zinc/83/64/08/636836408.db2.gz RMPSGHCEYYWBAN-QRMWWUJWSA-N 1 0 233.311 1.704 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841064776 636973963 /nfs/dbraw/zinc/97/39/63/636973963.db2.gz JLAWDFRSBBKWGC-FZMZJTMJSA-N 1 0 246.354 1.852 20 10 BDCDRO CC(C)C[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000163761142 640415911 /nfs/dbraw/zinc/41/59/11/640415911.db2.gz BWECKNDQZSWSDA-GFCCVEGCSA-N 1 0 223.316 1.889 20 10 BDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1O ZINC000228421997 640873728 /nfs/dbraw/zinc/87/37/28/640873728.db2.gz SNSDKJUIOKJBOE-MWLCHTKSSA-N 1 0 234.299 1.006 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2ccno2)c1 ZINC000231881955 641212420 /nfs/dbraw/zinc/21/24/20/641212420.db2.gz ISKQXZKMIJHMBJ-UHFFFAOYSA-N 1 0 234.255 1.679 20 10 BDCDRO C[N@@H+]1CCC[C@H](NC(=O)Nc2ccc(N)cc2)C1 ZINC000040716230 641534385 /nfs/dbraw/zinc/53/43/85/641534385.db2.gz MSXADGIAQGGGJO-LBPRGKRZSA-N 1 0 248.330 1.485 20 10 BDCDRO CCOc1cccc(C[NH2+]Cc2cc[nH]n2)c1O ZINC000041014157 641539517 /nfs/dbraw/zinc/53/95/17/641539517.db2.gz VRJWEWMVJYYAPB-UHFFFAOYSA-N 1 0 247.298 1.804 20 10 BDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000152930120 641671224 /nfs/dbraw/zinc/67/12/24/641671224.db2.gz LKLCYUMGHNAJFH-CYBMUJFWSA-N 1 0 248.326 1.411 20 10 BDCDRO CN(C)C(=O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921488574 642625688 /nfs/dbraw/zinc/62/56/88/642625688.db2.gz AIQLEKWYCPPCTM-UHFFFAOYSA-N 1 0 248.326 1.189 20 10 BDCDRO COC[C@@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000071269055 643113944 /nfs/dbraw/zinc/11/39/44/643113944.db2.gz ALNJAYYZGGWEBA-LBPRGKRZSA-N 1 0 239.315 1.101 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@@H]2C(N)=O)cc1 ZINC000160304926 643440420 /nfs/dbraw/zinc/44/04/20/643440420.db2.gz ZXVDSCCMKHVKGG-CYBMUJFWSA-N 1 0 247.342 1.202 20 10 BDCDRO CN(C)c1ccc(CN(C)C2C[NH2+]C2)cc1 ZINC000085257271 643705830 /nfs/dbraw/zinc/70/58/30/643705830.db2.gz MJNUSLNZHKQZGS-UHFFFAOYSA-N 1 0 219.332 1.156 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921863397 643810693 /nfs/dbraw/zinc/81/06/93/643810693.db2.gz VGXVIWIVTBWWOJ-SNVBAGLBSA-N 1 0 248.326 1.365 20 10 BDCDRO O[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922165709 643887892 /nfs/dbraw/zinc/88/78/92/643887892.db2.gz KPUXPYWQPQTOMB-BETUJISGSA-N 1 0 233.311 1.625 20 10 BDCDRO Cc1cc(CN2CC[NH2+][C@H](C)C2)ccc1N(C)C ZINC000923292446 644330558 /nfs/dbraw/zinc/33/05/58/644330558.db2.gz YEWUTJQEOMDNBE-CYBMUJFWSA-N 1 0 247.386 1.855 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C2)cc1 ZINC000086725479 644468174 /nfs/dbraw/zinc/46/81/74/644468174.db2.gz AOPUOEKIWQHKGX-GFCCVEGCSA-N 1 0 219.332 1.204 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C2(C(N)=O)CC2)cc1C ZINC000792173361 644794694 /nfs/dbraw/zinc/79/46/94/644794694.db2.gz CJBUFDASANEHAU-UHFFFAOYSA-N 1 0 234.299 1.117 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CCCO)cc1Cl ZINC000825050212 645060812 /nfs/dbraw/zinc/06/08/12/645060812.db2.gz PGOLUYHENLPMAB-UHFFFAOYSA-N 1 0 229.707 1.826 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000827827454 645085360 /nfs/dbraw/zinc/08/53/60/645085360.db2.gz VIVNSDBVGHKUMF-MGCOHNPYSA-N 1 0 211.236 1.144 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000846046586 645391527 /nfs/dbraw/zinc/39/15/27/645391527.db2.gz JLXWCKWBKLYMIE-JGZJWPJOSA-N 1 0 234.299 1.054 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](CO)CCF)c1O ZINC000846098392 645403234 /nfs/dbraw/zinc/40/32/34/645403234.db2.gz AYBOKINOVNCRCC-NSHDSACASA-N 1 0 227.279 1.511 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)CCF)cc1 ZINC000846096468 645403870 /nfs/dbraw/zinc/40/38/70/645403870.db2.gz IAPMJJILSPJBKR-GFCCVEGCSA-N 1 0 240.322 1.563 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C1(CO)CC1 ZINC000877625579 645802803 /nfs/dbraw/zinc/80/28/03/645802803.db2.gz PQWRTMSDRPCAEX-NSHDSACASA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H]1NCCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925689555 646416770 /nfs/dbraw/zinc/41/67/70/646416770.db2.gz BXKNOEXKDGFNJK-SMDDNHRTSA-N 1 0 233.359 1.541 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2CSC2)c1 ZINC000701972353 712033759 /nfs/dbraw/zinc/03/37/59/712033759.db2.gz HZSXEOASUYZYGW-UHFFFAOYSA-N 1 0 209.314 1.906 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CC[C@H]1O ZINC000382162256 710801396 /nfs/dbraw/zinc/80/13/96/710801396.db2.gz SZOLUHKUMZBSGE-MWLCHTKSSA-N 1 0 211.236 1.144 20 10 BDCDRO CCOc1cccc(CN(C)[C@H](C)C[NH3+])c1O ZINC000382998407 710976324 /nfs/dbraw/zinc/97/63/24/710976324.db2.gz NPMVRSBOEMBQLP-SNVBAGLBSA-N 1 0 238.331 1.570 20 10 BDCDRO C[C@@H](NCc1ccc(N(C)C)cc1)[C@H](C)[NH3+] ZINC000380671497 712902428 /nfs/dbraw/zinc/90/24/28/712902428.db2.gz BKHCCEXHBXNQMM-WDEREUQCSA-N 1 0 221.348 1.578 20 10 BDCDRO C[C@](O)(C[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000386593133 711033711 /nfs/dbraw/zinc/03/37/11/711033711.db2.gz DXFUHTJGURBGIX-HNNXBMFYSA-N 1 0 247.338 1.872 20 10 BDCDRO C[C@@H]([NH2+]CCCn1cncn1)c1ccccc1O ZINC000381847177 710745258 /nfs/dbraw/zinc/74/52/58/710745258.db2.gz ZHZFBEQBKCRFOO-LLVKDONJSA-N 1 0 246.314 1.725 20 10 BDCDRO Cc1nnc(C[NH2+][C@@H](C)c2ccccc2O)[nH]1 ZINC000392465483 711149342 /nfs/dbraw/zinc/14/93/42/711149342.db2.gz RWYOJCNCOPTDNG-QMMMGPOBSA-N 1 0 232.287 1.670 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC[C@@H](C)OC ZINC000726607384 711438709 /nfs/dbraw/zinc/43/87/09/711438709.db2.gz OGAIDQAXGXSQCI-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO Oc1ccccc1C[NH2+]CCO[C@@H]1CCOC1 ZINC000724925775 711629358 /nfs/dbraw/zinc/62/93/58/711629358.db2.gz VJWMLRXNSXRDAE-GFCCVEGCSA-N 1 0 237.299 1.287 20 10 BDCDRO Oc1ccccc1C[NH2+]CCO[C@H]1CCOC1 ZINC000724925776 711629563 /nfs/dbraw/zinc/62/95/63/711629563.db2.gz VJWMLRXNSXRDAE-LBPRGKRZSA-N 1 0 237.299 1.287 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC23CC(O)C3)cc1 ZINC000724931274 711629973 /nfs/dbraw/zinc/62/99/73/711629973.db2.gz LCNYNXAPNCSFDC-SHARSMKWSA-N 1 0 246.354 1.756 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cccc(C)c1O)[C@@H](C)O ZINC000386737655 711654337 /nfs/dbraw/zinc/65/43/37/711654337.db2.gz XHQXRQRBRPRZTQ-ZYHUDNBSSA-N 1 0 223.316 1.950 20 10 BDCDRO COCCC[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894145626 711764469 /nfs/dbraw/zinc/76/44/69/711764469.db2.gz FVDTVOFKEFZSAW-UHFFFAOYSA-N 1 0 239.315 1.835 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c1O ZINC000895317498 711780485 /nfs/dbraw/zinc/78/04/85/711780485.db2.gz WLWUOPPKKIMOCB-GFCCVEGCSA-N 1 0 248.326 1.315 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccc(N(C)C)cc1 ZINC000161364521 711811346 /nfs/dbraw/zinc/81/13/46/711811346.db2.gz PUUJPRYFYWJEQB-WDEREUQCSA-N 1 0 249.358 1.667 20 10 BDCDRO Oc1ccccc1CNC1=[NH+]CCCCN1 ZINC000700030075 711983386 /nfs/dbraw/zinc/98/33/86/711983386.db2.gz RZOUAQJXENXUSR-UHFFFAOYSA-N 1 0 219.288 1.221 20 10 BDCDRO CCOC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000700970491 712011160 /nfs/dbraw/zinc/01/11/60/712011160.db2.gz YVBXJWJKLXCLBI-UHFFFAOYSA-N 1 0 248.326 1.461 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C)C2=O)c1O ZINC000704379914 712105755 /nfs/dbraw/zinc/10/57/55/712105755.db2.gz FZJAKFNDFBOYSN-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H]2CCN(C)C2)c1O ZINC000709435741 712222148 /nfs/dbraw/zinc/22/21/48/712222148.db2.gz NUXFLEKBYQXHJY-CYBMUJFWSA-N 1 0 234.343 1.748 20 10 BDCDRO C[C@H]1[NH2+]CCN(Cc2ccccc2O)[C@@H]1C ZINC000379445586 712385005 /nfs/dbraw/zinc/38/50/05/712385005.db2.gz WWYVHIASCSBOMC-GHMZBOCLSA-N 1 0 220.316 1.574 20 10 BDCDRO CCNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037262453 712560806 /nfs/dbraw/zinc/56/08/06/712560806.db2.gz KNIWGMSXPFYIOT-LLVKDONJSA-N 1 0 249.358 1.539 20 10 BDCDRO CC[NH+](CC)CC(=O)N(C)c1ccc(N)cc1 ZINC000037271993 712565033 /nfs/dbraw/zinc/56/50/33/712565033.db2.gz IRXSLDSGVBCBSS-UHFFFAOYSA-N 1 0 235.331 1.573 20 10 BDCDRO Cc1cccc(C[NH2+]CC[C@H](O)C(F)F)c1O ZINC000716714887 712570782 /nfs/dbraw/zinc/57/07/82/712570782.db2.gz WVNAOVRHOGJQQC-JTQLQIEISA-N 1 0 245.269 1.806 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC[C@H](O)C(F)F ZINC000716729793 712571064 /nfs/dbraw/zinc/57/10/64/712571064.db2.gz BCQOCAQGZYZQEE-JTQLQIEISA-N 1 0 249.232 1.637 20 10 BDCDRO C[C@H](CO)C[N@H+](C)Cc1ccccc1O ZINC000121397225 712595501 /nfs/dbraw/zinc/59/55/01/712595501.db2.gz WJBFVMRUTRUOMD-JTQLQIEISA-N 1 0 209.289 1.452 20 10 BDCDRO COCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000379915205 712625019 /nfs/dbraw/zinc/62/50/19/712625019.db2.gz BKZDMIBKDLLAMJ-SNVBAGLBSA-N 1 0 207.273 1.616 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCC[C@@H](C)O ZINC000877484822 712631224 /nfs/dbraw/zinc/63/12/24/712631224.db2.gz PCCRGPNVXWSGCK-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO C[C@@H]([NH2+]C1CC(CC(N)=O)C1)c1ccccc1O ZINC000718474454 712764898 /nfs/dbraw/zinc/76/48/98/712764898.db2.gz CAIDAZUQQNHPRU-KPPDAEKUSA-N 1 0 248.326 1.697 20 10 BDCDRO COc1cccc(C[NH2+]C(C)(C)[C@@H](C)O)c1O ZINC000161142993 964877409 /nfs/dbraw/zinc/87/74/09/964877409.db2.gz JZZDZXXKSLVTGO-SECBINFHSA-N 1 0 239.315 1.650 20 10 BDCDRO CC[C@@H](O)C[N@H+](CC)Cc1ccccc1O ZINC001251780791 968314706 /nfs/dbraw/zinc/31/47/06/968314706.db2.gz XTIBIFRTLOFJHZ-GFCCVEGCSA-N 1 0 223.316 1.985 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC=CC2)c(O)c1 ZINC001232834730 978302540 /nfs/dbraw/zinc/30/25/40/978302540.db2.gz KWKIVNMBYWHIQV-UHFFFAOYSA-N 1 0 218.300 1.830 20 10 BDCDRO C[N@@H+](Cc1c([O-])ccc(F)c1F)CC1COC1 ZINC001233335445 978569498 /nfs/dbraw/zinc/56/94/98/978569498.db2.gz VPBMGYZQPICYTP-UHFFFAOYSA-N 1 0 243.253 1.749 20 10 BDCDRO Cc1ccc(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236172338 979432280 /nfs/dbraw/zinc/43/22/80/979432280.db2.gz YTKIVFWZGQHLCS-LLVKDONJSA-N 1 0 206.289 1.234 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N(C)C)cc1 ZINC001236864814 979773835 /nfs/dbraw/zinc/77/38/35/979773835.db2.gz FQDGGLDXRQUAAF-ZDUSSCGKSA-N 1 0 235.375 1.922 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CO[C@H](C)C2)c(O)c1 ZINC000877608211 983956062 /nfs/dbraw/zinc/95/60/62/983956062.db2.gz RMPDYCVKXDRFNL-PWSUYJOCSA-N 1 0 221.300 1.968 20 10 BDCDRO O=C1NCC[C@@H]1[NH2+]Cc1cc(Cl)ccc1O ZINC000693868208 959459278 /nfs/dbraw/zinc/45/92/78/959459278.db2.gz AEIJWHDNPREZTN-VIFPVBQESA-N 1 0 240.690 1.024 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H]3COC[C@@H]3C2)c1 ZINC001141155879 960407773 /nfs/dbraw/zinc/40/77/73/960407773.db2.gz ACDDVJLDBJPINB-PWSUYJOCSA-N 1 0 249.310 1.566 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CCC3(CN(C)C3)C2)c1 ZINC001140623688 960467786 /nfs/dbraw/zinc/46/77/86/960467786.db2.gz PVPZZXGATJAGSD-UHFFFAOYSA-N 1 0 246.354 1.838 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c1O ZINC001140748530 960552376 /nfs/dbraw/zinc/55/23/76/960552376.db2.gz HVQVAIGZFJMPAO-GXFFZTMASA-N 1 0 249.310 1.627 20 10 BDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141156070 960890398 /nfs/dbraw/zinc/89/03/98/960890398.db2.gz DSEXBHVKHNTBJM-BXKDBHETSA-N 1 0 237.299 1.443 20 10 BDCDRO OC[C@@H]1CCC[N@@H+]1Cc1cc(O)ccc1O ZINC001141156719 960892631 /nfs/dbraw/zinc/89/26/31/960892631.db2.gz RXADYTYLTYMQFB-JTQLQIEISA-N 1 0 223.272 1.055 20 10 BDCDRO C[C@@H]1CO[C@@H]2C[N@H+](Cc3cc(O)ccc3O)C[C@H]12 ZINC001141161417 960895214 /nfs/dbraw/zinc/89/52/14/960895214.db2.gz RLSGFRAKOJEIBU-GAJTVXKRSA-N 1 0 249.310 1.565 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c1 ZINC001141158179 960896158 /nfs/dbraw/zinc/89/61/58/960896158.db2.gz VNHFRSNHZQQDBW-KPXOXKRLSA-N 1 0 237.274 1.888 20 10 BDCDRO C[N@H+](Cc1cc(O)ccc1O)[C@@H]1CCCOC1 ZINC001141163160 960899306 /nfs/dbraw/zinc/89/93/06/960899306.db2.gz SJGSZPLNYAWUMR-LLVKDONJSA-N 1 0 237.299 1.709 20 10 BDCDRO CN(C)c1ccc(CN2CC(C)([NH3+])C2)cc1 ZINC001204966077 962987674 /nfs/dbraw/zinc/98/76/74/962987674.db2.gz PUYZRBSAGDHGJS-UHFFFAOYSA-N 1 0 219.332 1.286 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CC(N)=O)c1 ZINC000160802897 964847583 /nfs/dbraw/zinc/84/75/83/964847583.db2.gz OHVJGYJRIDASNN-SECBINFHSA-N 1 0 222.288 1.054 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccccc1O)C2 ZINC001235166485 966022067 /nfs/dbraw/zinc/02/20/67/966022067.db2.gz SUSBAMFUKKRZPG-WCQYABFASA-N 1 0 218.300 1.315 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1c(O)cccc1Cl)C2 ZINC001236024240 966236953 /nfs/dbraw/zinc/23/69/53/966236953.db2.gz ILDRQCXHCJSXGP-PRHODGIISA-N 1 0 238.718 1.579 20 10 BDCDRO COc1cccc(CN2CC(C)(C[NH3+])C2)c1O ZINC001206712134 966257827 /nfs/dbraw/zinc/25/78/27/966257827.db2.gz SKHSXEMLSJZYLF-UHFFFAOYSA-N 1 0 236.315 1.181 20 10 BDCDRO CN(C)c1ccc(CN2CC(C)(C[NH3+])C2)cc1 ZINC001206712232 966264136 /nfs/dbraw/zinc/26/41/36/966264136.db2.gz XZDBPXATYUWSJH-UHFFFAOYSA-N 1 0 233.359 1.533 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2cc(F)c(F)cc2O)C1 ZINC001236169137 966284775 /nfs/dbraw/zinc/28/47/75/966284775.db2.gz AVWJYVXOLWSHCG-QMMMGPOBSA-N 1 0 228.242 1.203 20 10 BDCDRO Cc1cc(CN2C[C@@H]3C[NH2+]C[C@@H]32)ccc1N(C)C ZINC001236286102 966336843 /nfs/dbraw/zinc/33/68/43/966336843.db2.gz KTRAKLWWKNJKTL-ZFWWWQNUSA-N 1 0 245.370 1.465 20 10 BDCDRO CCc1ccc(CN(C)C[C@H](C)[NH3+])c(O)c1 ZINC001236909643 966614811 /nfs/dbraw/zinc/61/48/11/966614811.db2.gz TZOUGVBOGHVIBY-JTQLQIEISA-N 1 0 222.332 1.734 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(O)c1 ZINC001203622262 966708172 /nfs/dbraw/zinc/70/81/72/966708172.db2.gz VXFCPJUGOPJBAJ-TZMCWYRMSA-N 1 0 249.310 1.764 20 10 BDCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875733 966806154 /nfs/dbraw/zinc/80/61/54/966806154.db2.gz TWHZAOUQXYHMDI-KOLCDFICSA-N 1 0 237.299 1.443 20 10 BDCDRO Oc1ccc(C[NH+]2CCC(O)CC2)cc1O ZINC001203874126 966806164 /nfs/dbraw/zinc/80/61/64/966806164.db2.gz PBLNOXNVLGLQLP-UHFFFAOYSA-N 1 0 223.272 1.055 20 10 BDCDRO COC1CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203874089 966806752 /nfs/dbraw/zinc/80/67/52/966806752.db2.gz NPDMJZPUUSIAHH-UHFFFAOYSA-N 1 0 237.299 1.709 20 10 BDCDRO CN(C)c1ccc(CN2CC([NH+](C)C)C2)cc1 ZINC001203929344 966826101 /nfs/dbraw/zinc/82/61/01/966826101.db2.gz ATDPBUMODILVHM-UHFFFAOYSA-N 1 0 233.359 1.498 20 10 BDCDRO Oc1ccc(C[NH+]2CCSCC2)c(O)c1 ZINC001204276118 966953864 /nfs/dbraw/zinc/95/38/64/966953864.db2.gz HMBMJLLRJNYRGV-UHFFFAOYSA-N 1 0 225.313 1.647 20 10 BDCDRO C[C@]1(O)CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278671 966959060 /nfs/dbraw/zinc/95/90/60/966959060.db2.gz HSIVIAIYTKDBTD-ZDUSSCGKSA-N 1 0 237.299 1.445 20 10 BDCDRO CC[C@@]12C[C@@H](CO1)[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204279634 966959585 /nfs/dbraw/zinc/95/95/85/966959585.db2.gz DDXABWXPYSTRNA-FZMZJTMJSA-N 1 0 249.310 1.851 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC3(COC3)C2)c(O)c1 ZINC001204276370 966960899 /nfs/dbraw/zinc/96/08/99/966960899.db2.gz LBDATXAOPRCHRM-UHFFFAOYSA-N 1 0 235.283 1.320 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCN1C ZINC001204278777 966961174 /nfs/dbraw/zinc/96/11/74/966961174.db2.gz JWLRUGZNKQJFAJ-SNVBAGLBSA-N 1 0 236.315 1.234 20 10 BDCDRO CCCC[C@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001252111275 968596437 /nfs/dbraw/zinc/59/64/37/968596437.db2.gz RCGJZRAASFNLBT-LBPRGKRZSA-N 1 0 239.315 1.739 20 10 BDCDRO C[N@H+]1CC=C(Nc2cccc(O)c2O)CC1 ZINC001208844756 969257558 /nfs/dbraw/zinc/25/75/58/969257558.db2.gz VGWSPVSETWXQJO-UHFFFAOYSA-N 1 0 220.272 1.729 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)c(O)c1 ZINC000402008143 970751844 /nfs/dbraw/zinc/75/18/44/970751844.db2.gz AHVRCDDEPMPJDJ-GXSJLCMTSA-N 1 0 237.299 1.668 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC001327723198 972713608 /nfs/dbraw/zinc/71/36/08/972713608.db2.gz YGMNNWQFWHMNCP-ZDUSSCGKSA-N 1 0 247.338 1.911 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CC[C@H](F)C2)c(O)c1 ZINC001144504077 972851957 /nfs/dbraw/zinc/85/19/57/972851957.db2.gz KXLJQDCXIPYFOE-ZETCQYMHSA-N 1 0 227.235 1.347 20 10 BDCDRO COc1ccc(N2CC3(C2)C[NH+](C)C3)c(OC)c1 ZINC001276993887 973901654 /nfs/dbraw/zinc/90/16/54/973901654.db2.gz HPMLASXIRLBQEW-UHFFFAOYSA-N 1 0 248.326 1.456 20 10 BDCDRO Cc1ccc(C[NH2+][C@]23C[C@H]2COC3)c(O)c1 ZINC001331565173 974763482 /nfs/dbraw/zinc/76/34/82/974763482.db2.gz KDHNPNZUHOOWFB-AAEUAGOBSA-N 1 0 219.284 1.579 20 10 BDCDRO CCN1CC[C@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001173370488 975355620 /nfs/dbraw/zinc/35/56/20/975355620.db2.gz IFSCUSPVXYHFPX-ZDUSSCGKSA-N 1 0 246.354 1.845 20 10 BDCDRO Cc1cc(Nc2ccc(O)cc2O)cc[nH+]1 ZINC001174655340 976944365 /nfs/dbraw/zinc/94/43/65/976944365.db2.gz ATGPBEHUARREEE-UHFFFAOYSA-N 1 0 216.240 1.967 20 10 BDCDRO Cc1cc(Nc2ccc(C(N)=O)cc2O)cc[nH+]1 ZINC001174659820 976951667 /nfs/dbraw/zinc/95/16/67/976951667.db2.gz DQZHJKAUSUNFPM-UHFFFAOYSA-N 1 0 243.266 1.360 20 10 BDCDRO Oc1cc(C[NH+]2CCCC2)cc(O)c1O ZINC001233009056 978409984 /nfs/dbraw/zinc/40/99/84/978409984.db2.gz IXHKGTXIRQTAEE-UHFFFAOYSA-N 1 0 209.245 1.399 20 10 BDCDRO Oc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2C3)cc(O)c1O ZINC001233015801 978414388 /nfs/dbraw/zinc/41/43/88/978414388.db2.gz BIDQPLLRNGWREG-WCBMZHEXSA-N 1 0 235.283 1.788 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC001338445667 978683495 /nfs/dbraw/zinc/68/34/95/978683495.db2.gz GXHNAIOUXJWSDF-CYBMUJFWSA-N 1 0 249.310 1.358 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@H]3C2)c(O)c1 ZINC001204280451 978942833 /nfs/dbraw/zinc/94/28/33/978942833.db2.gz KFINQBIUAPUWIO-FZMZJTMJSA-N 1 0 249.310 1.709 20 10 BDCDRO COc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235037174 978959000 /nfs/dbraw/zinc/95/90/00/978959000.db2.gz DKMIKXVVAPGBAY-QWHCGFSZSA-N 1 0 248.326 1.337 20 10 BDCDRO Oc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235073825 978969410 /nfs/dbraw/zinc/96/94/10/978969410.db2.gz XPAKMUNSUTZYJC-VXGBXAGGSA-N 1 0 234.299 1.034 20 10 BDCDRO CN(C)c1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976291 979243733 /nfs/dbraw/zinc/24/37/33/979243733.db2.gz AQUPKDDHTXAGII-DZGCQCFKSA-N 1 0 245.370 1.676 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2CC[C@@]2([NH3+])C1 ZINC001235991062 979276071 /nfs/dbraw/zinc/27/60/71/979276071.db2.gz NYJHRYPOFMSKBR-BXUZGUMPSA-N 1 0 232.327 1.624 20 10 BDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC001236015621 979301536 /nfs/dbraw/zinc/30/15/36/979301536.db2.gz NEGDVYKLARXSJU-CABZTGNLSA-N 1 0 238.718 1.579 20 10 BDCDRO Cc1cc(F)cc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236019145 979310662 /nfs/dbraw/zinc/31/06/62/979310662.db2.gz BJFCILGMASPKFL-ZWNOBZJWSA-N 1 0 236.290 1.373 20 10 BDCDRO Cc1cc(CN2C[C@H]3C[C@@]3([NH3+])C2)ccc1N(C)C ZINC001236027853 979324258 /nfs/dbraw/zinc/32/42/58/979324258.db2.gz QGZKVXYLPPUSSB-UKRRQHHQSA-N 1 0 245.370 1.594 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H]2CN)c1O ZINC001236245477 979467693 /nfs/dbraw/zinc/46/76/93/979467693.db2.gz PNLNAHCOCABORJ-GFCCVEGCSA-N 1 0 234.343 1.932 20 10 BDCDRO C[C@@]1(C(=O)NCc2ccc(N)cc2)CCC[NH2+]1 ZINC001341924501 979595718 /nfs/dbraw/zinc/59/57/18/979595718.db2.gz VCZYNUUHQVYYBU-ZDUSSCGKSA-N 1 0 233.315 1.027 20 10 BDCDRO C[C@@H]1CN(Cc2c(O)cccc2F)C[C@@H](C)[NH2+]1 ZINC001236575136 979641680 /nfs/dbraw/zinc/64/16/80/979641680.db2.gz DWEMQPVOVPMZLT-NXEZZACHSA-N 1 0 238.306 1.714 20 10 BDCDRO CN(C(=O)[C@@H]1C[C@H]([NH3+])[C@H]2C[C@H]21)c1ccc(N)cc1 ZINC001342238990 979726249 /nfs/dbraw/zinc/72/62/49/979726249.db2.gz IHENRYYXGDXGKI-XQHKEYJVSA-N 1 0 245.326 1.215 20 10 BDCDRO COC(=O)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC001237484347 979911426 /nfs/dbraw/zinc/91/14/26/979911426.db2.gz CMPFJEXHZIVIPC-UHFFFAOYSA-N 1 0 235.283 1.305 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C ZINC001237491634 979914428 /nfs/dbraw/zinc/91/44/28/979914428.db2.gz KVMYRVXMHWBXTO-RYUDHWBXSA-N 1 0 232.327 1.589 20 10 BDCDRO Cc1cccc(O)c1CN1CC(C)([NH+](C)C)C1 ZINC001237487677 979917283 /nfs/dbraw/zinc/91/72/83/979917283.db2.gz KJSZXVZGIFCJRY-UHFFFAOYSA-N 1 0 234.343 1.837 20 10 BDCDRO COc1cccc(C[NH+]2CC(C3COC3)C2)c1O ZINC001203584502 979971611 /nfs/dbraw/zinc/97/16/11/979971611.db2.gz BZOAJCQWZWXLRB-UHFFFAOYSA-N 1 0 249.310 1.479 20 10 BDCDRO Cc1cc(F)cc(C[N@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC001238055733 980133249 /nfs/dbraw/zinc/13/32/49/980133249.db2.gz CPMYPYQMHXFDSJ-SKDRFNHKSA-N 1 0 239.290 1.795 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001349363437 981538523 /nfs/dbraw/zinc/53/85/23/981538523.db2.gz YJGIMRZYMLYHNZ-NEPJUHHUSA-N 1 0 233.315 1.725 20 10 BDCDRO Cn1ccc(-c2ccc3c[nH+]cn3c2)cc1=O ZINC001240985791 982068534 /nfs/dbraw/zinc/06/85/34/982068534.db2.gz JYLNMBBQQXNJOW-UHFFFAOYSA-N 1 0 225.251 1.700 20 10 BDCDRO Nc1ccc(C[N@H+]2C[C@H]3CCC[C@@H](C2)C3O)cc1 ZINC001352788903 982580893 /nfs/dbraw/zinc/58/08/93/982580893.db2.gz RIWCAXSPZZOHAK-NNQSOWQGSA-N 1 0 246.354 1.862 20 10 BDCDRO CO[C@@H](C)C1C[NH+](Cc2ccc(O)c(O)c2)C1 ZINC001203881570 982581238 /nfs/dbraw/zinc/58/12/38/982581238.db2.gz QTYMGDSQDILWOL-VIFPVBQESA-N 1 0 237.299 1.565 20 10 BDCDRO CN(C(=O)[C@H]1CCCCC[NH2+]1)c1ccc(N)cc1 ZINC001352849741 982601636 /nfs/dbraw/zinc/60/16/36/982601636.db2.gz MGUWZEWCXUZAEN-CYBMUJFWSA-N 1 0 247.342 1.764 20 10 BDCDRO CC[NH2+][C@H](C)C(=O)NCc1c(O)cccc1F ZINC001354863993 983377486 /nfs/dbraw/zinc/37/74/86/983377486.db2.gz BETCELXGJUHWHT-MRVPVSSYSA-N 1 0 240.278 1.146 20 10 BDCDRO CCC1([NH3+])CC[NH+](Cc2ccc(N)cc2)CC1 ZINC001356083683 983571899 /nfs/dbraw/zinc/57/18/99/983571899.db2.gz XTVPBTYVQCXMSA-UHFFFAOYSA-N 1 0 233.359 1.972 20 10 BDCDRO Oc1cccc(F)c1CN[C@@H]1CCC[NH2+]C1 ZINC001574440553 984112485 /nfs/dbraw/zinc/11/24/85/984112485.db2.gz XDOIBUYKMXSZEP-SECBINFHSA-N 1 0 224.279 1.373 20 10 BDCDRO [O-]c1c(F)cccc1C[NH2+]C[C@H]1[C@@H]2C[NH2+]C[C@H]12 ZINC001580888757 984621850 /nfs/dbraw/zinc/62/18/50/984621850.db2.gz YCFLRXGSPZQERU-RTCCRHLQSA-N 1 0 236.290 1.086 20 10 BDCDRO C[C@@H]1[C@@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000719395503 984651084 /nfs/dbraw/zinc/65/10/84/984651084.db2.gz KHRXGWGWYQJBFU-MFKMUULPSA-N 1 0 247.342 1.020 20 10 BDCDRO C[N@@H+]1CC[C@H]2[C@@H]1CCN2Cc1ccc(O)c(O)c1 ZINC001275821244 984674329 /nfs/dbraw/zinc/67/43/29/984674329.db2.gz LJSGUJZNZYCRTD-RYUDHWBXSA-N 1 0 248.326 1.376 20 10 BDCDRO Cc1ccc(C[NH+]2CC3(CCN3C)C2)c(O)c1 ZINC001276169829 984824221 /nfs/dbraw/zinc/82/42/21/984824221.db2.gz XIXSDZWILFHDAI-UHFFFAOYSA-N 1 0 232.327 1.591 20 10 BDCDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N)cc1 ZINC001578158495 984859358 /nfs/dbraw/zinc/85/93/58/984859358.db2.gz FGXNCURBLXHAMX-CHWSQXEVSA-N 1 0 236.315 1.162 20 10 BDCDRO CCc1cccc(C[N@H+](C)CCC(N)=O)c1O ZINC000692108789 985412422 /nfs/dbraw/zinc/41/24/22/985412422.db2.gz JBIFUCGRVXRJDX-UHFFFAOYSA-N 1 0 236.315 1.262 20 10 BDCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N(C)C)cc1 ZINC000688042864 985512686 /nfs/dbraw/zinc/51/26/86/985512686.db2.gz JNTYCMZLUBDGFK-BXUZGUMPSA-N 1 0 234.343 1.877 20 10 BDCDRO Nc1ccc(C[NH2+][C@H]2CCCNC(=O)C2)cc1 ZINC001580445515 986852198 /nfs/dbraw/zinc/85/21/98/986852198.db2.gz HLSBGMYJUGHOEG-LBPRGKRZSA-N 1 0 233.315 1.027 20 10 BDCDRO CCc1cccc(C[NH2+]CCCO)c1O ZINC000691458110 987285229 /nfs/dbraw/zinc/28/52/29/987285229.db2.gz AWIXLZMPKGDPAY-UHFFFAOYSA-N 1 0 209.289 1.427 20 10 BDCDRO C[C@H]1CC[C@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246466934 987826924 /nfs/dbraw/zinc/82/69/24/987826924.db2.gz QVDMIOZEXSRKDE-FZMZJTMJSA-N 1 0 233.359 1.541 20 10 BDCDRO CC1(C)[C@H](C(=O)NCc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001515332471 989026148 /nfs/dbraw/zinc/02/61/48/989026148.db2.gz JKLRMFSLQDLKBS-RYUDHWBXSA-N 1 0 247.342 1.258 20 10 BDCDRO CC(C)C[C@H]([NH3+])CC(=O)N(C)c1ccc(N)cc1 ZINC001522219082 989836543 /nfs/dbraw/zinc/83/65/43/989836543.db2.gz XFAVDHNLPBZUDQ-LBPRGKRZSA-N 1 0 249.358 1.995 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC001524007981 989967150 /nfs/dbraw/zinc/96/71/50/989967150.db2.gz AQXNZYFHVSUADZ-BJHJDKERSA-N 1 0 247.342 1.403 20 10 BDCDRO C[NH+](C)C1CCN(Cc2ccc(N)cc2)CC1 ZINC000036190892 991523517 /nfs/dbraw/zinc/52/35/17/991523517.db2.gz GOTWSGQFKDGJFG-UHFFFAOYSA-N 1 0 233.359 1.795 20 10 BDCDRO Cc1ccc(C)c(CN2CCC(=O)C2)c1O ZINC001140182581 991555161 /nfs/dbraw/zinc/55/51/61/991555161.db2.gz WHHBHAXTPSMKGG-UHFFFAOYSA-N 1 0 219.284 1.784 20 10 BDCDRO CC(C)c1ccc(O)c(C[N@H+](C)CCO)c1 ZINC001560714475 991569830 /nfs/dbraw/zinc/56/98/30/991569830.db2.gz MMULUBDGNWIZLY-UHFFFAOYSA-N 1 0 223.316 1.940 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001262486810 992891647 /nfs/dbraw/zinc/89/16/47/992891647.db2.gz BCJBKOGTGVQEIS-NSHDSACASA-N 1 0 234.299 1.264 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N)cc2)[C@H](C)O1 ZINC001262487801 992893284 /nfs/dbraw/zinc/89/32/84/992893284.db2.gz GKXPKUGRVLCITK-GBIKHYSHSA-N 1 0 220.316 1.924 20 10 BDCDRO CC[C@@](C)(CCO)[NH2+]Cc1ccc(N)cc1 ZINC001262487790 992893591 /nfs/dbraw/zinc/89/35/91/992893591.db2.gz GEOMNLLKBADHOM-ZDUSSCGKSA-N 1 0 222.332 1.910 20 10 BDCDRO Nc1ccc(CN2CCc3nccnc3C2)cc1 ZINC001262488360 992893868 /nfs/dbraw/zinc/89/38/68/992893868.db2.gz ZJLGSNSATPWHLQ-UHFFFAOYSA-N 1 0 240.310 1.617 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000384377896 993574312 /nfs/dbraw/zinc/57/43/12/993574312.db2.gz KMZMTKXJDKKYEH-PWSUYJOCSA-N 1 0 248.326 1.397 20 10 BDCDRO CCN(C)c1ccc(CN2CC[NH2+][C@H](C)C2)cc1 ZINC001577658125 993702492 /nfs/dbraw/zinc/70/24/92/993702492.db2.gz XEJSMKLEOVEHFZ-CYBMUJFWSA-N 1 0 247.386 1.936 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@H]1CO ZINC000700439447 993835468 /nfs/dbraw/zinc/83/54/68/993835468.db2.gz SRCMMJHNKODLHX-AAEUAGOBSA-N 1 0 234.343 1.719 20 10 BDCDRO Cc1cc(C[N@@H+]2CC[C@@H](CO)C2)ccc1N(C)C ZINC000292711681 178000353 /nfs/dbraw/zinc/00/03/53/178000353.db2.gz BFOPJAYGVQXBON-CQSZACIVSA-N 1 0 248.370 1.875 20 10 BDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@H](O)C2)c1O ZINC000132493569 178064330 /nfs/dbraw/zinc/06/43/30/178064330.db2.gz CGYZXEGAVYPIOU-NSHDSACASA-N 1 0 241.718 1.921 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)C2)cc1C ZINC000294810266 178196549 /nfs/dbraw/zinc/19/65/49/178196549.db2.gz JKRHPOMMXPYHDD-TXEJJXNPSA-N 1 0 221.300 1.622 20 10 BDCDRO C[C@@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1O ZINC000183638069 398250037 /nfs/dbraw/zinc/25/00/37/398250037.db2.gz HXQBAWDFYXWNAS-SECBINFHSA-N 1 0 236.315 1.554 20 10 BDCDRO C[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363046 343343944 /nfs/dbraw/zinc/34/39/44/343343944.db2.gz IUALAJFTRVNAJV-VIFPVBQESA-N 1 0 207.273 1.092 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c1O ZINC000183449106 179081962 /nfs/dbraw/zinc/08/19/62/179081962.db2.gz RFOKZHIYMFVEDY-NSHDSACASA-N 1 0 234.299 1.008 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H](C)CO)c1O ZINC000162829905 179093343 /nfs/dbraw/zinc/09/33/43/179093343.db2.gz HEWPCXKWFZRPJG-VIFPVBQESA-N 1 0 209.289 1.419 20 10 BDCDRO CC(=O)NCCC[NH2+][C@@H](C)c1ccccc1O ZINC000179902620 188252640 /nfs/dbraw/zinc/25/26/40/188252640.db2.gz PAGGDQKSZODYFA-JTQLQIEISA-N 1 0 236.315 1.569 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000070955758 188305579 /nfs/dbraw/zinc/30/55/79/188305579.db2.gz LRJGPPAHFIMQHK-ZDUSSCGKSA-N 1 0 221.300 1.561 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCN2C)c1 ZINC000113328533 188327378 /nfs/dbraw/zinc/32/73/78/188327378.db2.gz AKXSCKCBUKFUPR-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO Nc1ccc(CC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000237835012 181427738 /nfs/dbraw/zinc/42/77/38/181427738.db2.gz CGLDZCIHOVNEGA-ZDUSSCGKSA-N 1 0 247.342 1.151 20 10 BDCDRO O[C@@H]1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089162748 183196502 /nfs/dbraw/zinc/19/65/02/183196502.db2.gz RJLDIOUALLSFRB-UONOGXRCSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C1CCC(O)CC1 ZINC000156406433 183274875 /nfs/dbraw/zinc/27/48/75/183274875.db2.gz WJMQZKZCYZWVQO-UHFFFAOYSA-N 1 0 239.290 1.924 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000187985629 183275711 /nfs/dbraw/zinc/27/57/11/183275711.db2.gz OAXBFHIXOVXFMX-JOYOIKCWSA-N 1 0 239.290 1.782 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CCCOC1 ZINC000071011190 183303268 /nfs/dbraw/zinc/30/32/68/183303268.db2.gz NVAMIBXXCMVUAE-LLVKDONJSA-N 1 0 207.273 1.661 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@]1(O)CCSC1 ZINC000165145008 183303433 /nfs/dbraw/zinc/30/34/33/183303433.db2.gz OGWNJSDIDZPSRQ-LBPRGKRZSA-N 1 0 239.340 1.350 20 10 BDCDRO c1cc(C[NH2+][C@H]2CCCOC2)cc2c1OCC2 ZINC000103962857 183368118 /nfs/dbraw/zinc/36/81/18/183368118.db2.gz VRHFLUHSHDXODY-ZDUSSCGKSA-N 1 0 233.311 1.890 20 10 BDCDRO c1cc(C[NH2+]CCN2CCCC2)cc2c1OCC2 ZINC000037362795 183368547 /nfs/dbraw/zinc/36/85/47/183368547.db2.gz NEJHEBRDCQBRRF-UHFFFAOYSA-N 1 0 246.354 1.807 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]CC(C)(C)O)c1 ZINC000111385528 383857271 /nfs/dbraw/zinc/85/72/71/383857271.db2.gz ZDZKLLAALYXLQQ-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO Cn1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)cn1 ZINC000295836005 383860510 /nfs/dbraw/zinc/86/05/10/383860510.db2.gz FHRHUNZCSPCBHF-GFCCVEGCSA-N 1 0 243.310 1.903 20 10 BDCDRO O=C1NCCCC[C@H]1[NH2+]Cc1ccccc1O ZINC000036976902 383922477 /nfs/dbraw/zinc/92/24/77/383922477.db2.gz JYRBKNHMSUBPGE-LLVKDONJSA-N 1 0 234.299 1.151 20 10 BDCDRO C[C@@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037257684 383963636 /nfs/dbraw/zinc/96/36/36/383963636.db2.gz CZLVRXCMSXZNIW-MNOVXSKESA-N 1 0 222.332 1.784 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]Cc2nncn2C)c(O)c1 ZINC000038007641 384053803 /nfs/dbraw/zinc/05/38/03/384053803.db2.gz GZDRMVLIADARNF-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO C[C@H]([NH3+])CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000070317432 384099306 /nfs/dbraw/zinc/09/93/06/384099306.db2.gz YTGGVRKYMGHXJT-NSHDSACASA-N 1 0 249.358 1.496 20 10 BDCDRO C[C@@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000132546604 384237020 /nfs/dbraw/zinc/23/70/20/384237020.db2.gz AKKOQATZGVEWMQ-IUCAKERBSA-N 1 0 227.279 1.953 20 10 BDCDRO COC[C@H](C)[N@H+](C)Cc1cc(OC)ccc1O ZINC000132677504 384243578 /nfs/dbraw/zinc/24/35/78/384243578.db2.gz JYUNMHOYPDMNQM-JTQLQIEISA-N 1 0 239.315 1.868 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000083347398 384297527 /nfs/dbraw/zinc/29/75/27/384297527.db2.gz LOVBIAIPAWFUHV-JTQLQIEISA-N 1 0 213.252 1.392 20 10 BDCDRO CN1CCCc2cc(CNC(N)=[NH2+])ccc21 ZINC000161526092 384499655 /nfs/dbraw/zinc/49/96/55/384499655.db2.gz QRDUBLGVUIEIBA-UHFFFAOYSA-N 1 0 218.304 1.052 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC2(C)COC2)c1 ZINC000082699492 384704675 /nfs/dbraw/zinc/70/46/75/384704675.db2.gz QVQTYAIDBJJBIB-UHFFFAOYSA-N 1 0 221.300 1.827 20 10 BDCDRO COc1ccc(C[NH2+]CC(C)(C)O)cc1C ZINC000082687376 384704810 /nfs/dbraw/zinc/70/48/10/384704810.db2.gz TZIXOODSURALQY-UHFFFAOYSA-N 1 0 223.316 1.864 20 10 BDCDRO C[C@@H](O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000082992610 384735608 /nfs/dbraw/zinc/73/56/08/384735608.db2.gz QNIYSYGPAIQBHS-ZJUUUORDSA-N 1 0 209.289 1.814 20 10 BDCDRO COC[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083748639 384796334 /nfs/dbraw/zinc/79/63/34/384796334.db2.gz MYASJQAGJQEQIP-MRVPVSSYSA-N 1 0 245.706 1.143 20 10 BDCDRO CC[NH+]1CCN(c2ccc(OC)c(F)c2)CC1 ZINC000084866559 384900859 /nfs/dbraw/zinc/90/08/59/384900859.db2.gz MKTNPJJOGDWQBV-UHFFFAOYSA-N 1 0 238.306 1.976 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000084933962 384905334 /nfs/dbraw/zinc/90/53/34/384905334.db2.gz AUOMXQXYXSTDNS-CYBMUJFWSA-N 1 0 220.316 1.319 20 10 BDCDRO C[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111364 385073673 /nfs/dbraw/zinc/07/36/73/385073673.db2.gz KYKZMGFKYQAOSP-SFYZADRCSA-N 1 0 213.252 1.563 20 10 BDCDRO C[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111366 385075782 /nfs/dbraw/zinc/07/57/82/385075782.db2.gz KYKZMGFKYQAOSP-HTQZYQBOSA-N 1 0 213.252 1.563 20 10 BDCDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000188472294 385186745 /nfs/dbraw/zinc/18/67/45/385186745.db2.gz SYAAXHBLULUTTP-JTQLQIEISA-N 1 0 236.315 1.349 20 10 BDCDRO O=C1OCC[C@@]12CCC[N@H+]2Cc1ccccc1O ZINC000190030781 385206955 /nfs/dbraw/zinc/20/69/55/385206955.db2.gz WAKRXYMSUALBPC-AWEZNQCLSA-N 1 0 247.294 1.674 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)CN(C)C)c1ccccc1O ZINC000130164606 385224581 /nfs/dbraw/zinc/22/45/81/385224581.db2.gz OXDNMDUOAKECFR-WDEREUQCSA-N 1 0 222.332 1.993 20 10 BDCDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179555432 385473742 /nfs/dbraw/zinc/47/37/42/385473742.db2.gz WEYDOZLTJBTVCL-NSHDSACASA-N 1 0 235.283 1.530 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000157194548 385490900 /nfs/dbraw/zinc/49/09/00/385490900.db2.gz OZYYKNWJWLXBGL-JTQLQIEISA-N 1 0 234.299 1.008 20 10 BDCDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(F)ccc1O ZINC000230392606 385735570 /nfs/dbraw/zinc/73/55/70/385735570.db2.gz ZPIWGRUCNZTYCG-VPTHRUTESA-N 1 0 245.319 1.388 20 10 BDCDRO C/C=C/C[C@H](CO)[NH2+]Cc1ccccc1O ZINC000185818621 385739597 /nfs/dbraw/zinc/73/95/97/385739597.db2.gz AZZTZHCQGAJKSE-QAVQXKDTSA-N 1 0 221.300 1.809 20 10 BDCDRO Cc1noc(CC[NH2+][C@H](C)c2ccccc2O)n1 ZINC000183595568 385773287 /nfs/dbraw/zinc/77/32/87/385773287.db2.gz IKRBIKJXQSFJDR-SECBINFHSA-N 1 0 247.298 1.977 20 10 BDCDRO C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1ccccc1O ZINC000185225776 385724580 /nfs/dbraw/zinc/72/45/80/385724580.db2.gz ZTYJFTVAIDKKCO-MGPLVRAMSA-N 1 0 241.356 1.591 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC000271353992 385821640 /nfs/dbraw/zinc/82/16/40/385821640.db2.gz QACQIIMMPJLHIZ-ZFWWWQNUSA-N 1 0 248.370 1.955 20 10 BDCDRO CC(=O)N1CC[N@H+](Cc2ccccc2O)[C@H](C)C1 ZINC000271468149 385831111 /nfs/dbraw/zinc/83/11/11/385831111.db2.gz YEUJYPYSUCPZEP-LLVKDONJSA-N 1 0 248.326 1.445 20 10 BDCDRO C[C@H]([NH2+]CCN(C)C)c1ccccc1O ZINC000021962115 385888797 /nfs/dbraw/zinc/88/87/97/385888797.db2.gz OWDXXRPQJUHHRT-JTQLQIEISA-N 1 0 208.305 1.604 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000294779904 385895819 /nfs/dbraw/zinc/89/58/19/385895819.db2.gz NSHMIMSSHGMWOI-MWLCHTKSSA-N 1 0 233.315 1.725 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000294813718 385899850 /nfs/dbraw/zinc/89/98/50/385899850.db2.gz QPQHHBQQOZZOHM-BXKDBHETSA-N 1 0 233.315 1.582 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000234900549 386114979 /nfs/dbraw/zinc/11/49/79/386114979.db2.gz ZEZXCMFAXGJTIF-LBPRGKRZSA-N 1 0 221.300 1.921 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@H]([NH+](C)C)C2)cc1 ZINC000289487197 386314265 /nfs/dbraw/zinc/31/42/65/386314265.db2.gz RGTBMTNIJAWTHW-HNNXBMFYSA-N 1 0 247.386 1.889 20 10 BDCDRO CC[NH+](CC)CC(=O)NCCc1ccc(N)cc1 ZINC000236842143 386317248 /nfs/dbraw/zinc/31/72/48/386317248.db2.gz JQMWCLZKRWDKGS-UHFFFAOYSA-N 1 0 249.358 1.269 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H](O)C(F)F ZINC000295127611 386691900 /nfs/dbraw/zinc/69/19/00/386691900.db2.gz XOJSIWYRSIWTRQ-GXSJLCMTSA-N 1 0 245.269 1.886 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1 ZINC000280554040 386821925 /nfs/dbraw/zinc/82/19/25/386821925.db2.gz UIJVOCZEQYAMMZ-ZDUSSCGKSA-N 1 0 235.327 1.903 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1cccc(C)c1O ZINC000293572066 386840048 /nfs/dbraw/zinc/84/00/48/386840048.db2.gz HAXPNOFIKPWYEE-LBPRGKRZSA-N 1 0 221.300 1.921 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1cccc(C)c1O ZINC000293572063 386840543 /nfs/dbraw/zinc/84/05/43/386840543.db2.gz HAXPNOFIKPWYEE-GFCCVEGCSA-N 1 0 221.300 1.921 20 10 BDCDRO C[C@H]([NH2+]CCCCO)c1ccccc1O ZINC000193276898 387204689 /nfs/dbraw/zinc/20/46/89/387204689.db2.gz KYQDQONWGJXDTM-JTQLQIEISA-N 1 0 209.289 1.815 20 10 BDCDRO Nc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000238133136 387931345 /nfs/dbraw/zinc/93/13/45/387931345.db2.gz XGLGOMKCBVCUQY-UHFFFAOYSA-N 1 0 233.315 1.597 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cnnn2C)c1 ZINC000288406739 388419114 /nfs/dbraw/zinc/41/91/14/388419114.db2.gz INDVUROZXLAFCK-UHFFFAOYSA-N 1 0 232.287 1.119 20 10 BDCDRO C[C@@H](CO)C[NH2+]Cc1cc(F)ccc1O ZINC000226586247 388723790 /nfs/dbraw/zinc/72/37/90/388723790.db2.gz YZJFCRSJFNISOD-MRVPVSSYSA-N 1 0 213.252 1.249 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000273564585 389042764 /nfs/dbraw/zinc/04/27/64/389042764.db2.gz JCVRFFBKBLRGON-MNOVXSKESA-N 1 0 248.326 1.582 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273564583 389043225 /nfs/dbraw/zinc/04/32/25/389043225.db2.gz JCVRFFBKBLRGON-GHMZBOCLSA-N 1 0 248.326 1.582 20 10 BDCDRO COCC[C@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000282355736 398068597 /nfs/dbraw/zinc/06/85/97/398068597.db2.gz VVLPNMGWAJNMNJ-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000294779691 171148174 /nfs/dbraw/zinc/14/81/74/171148174.db2.gz NORSRMMZWXAUBG-RYUDHWBXSA-N 1 0 233.315 1.595 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCCO)cc1 ZINC000005569688 172552639 /nfs/dbraw/zinc/55/26/39/172552639.db2.gz SHCKXJGSQBJHDT-UHFFFAOYSA-N 1 0 208.305 1.225 20 10 BDCDRO CN1CCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000163759143 173034437 /nfs/dbraw/zinc/03/44/37/173034437.db2.gz QCBLHTHXXQCFSM-GFCCVEGCSA-N 1 0 220.316 1.576 20 10 BDCDRO CN1CC[N@H+](Cc2ccccc2O)C(C)(C)C1=O ZINC000179579658 173089504 /nfs/dbraw/zinc/08/95/04/173089504.db2.gz KVLXUHVASGVFIH-UHFFFAOYSA-N 1 0 248.326 1.445 20 10 BDCDRO CNC(=O)C(C)(C)C[NH2+]Cc1ccccc1O ZINC000120282004 173219903 /nfs/dbraw/zinc/21/99/03/173219903.db2.gz SCEHPFFEYSMWHY-UHFFFAOYSA-N 1 0 236.315 1.254 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000299283228 173282267 /nfs/dbraw/zinc/28/22/67/173282267.db2.gz DHAURQKSXVHDMI-NSHDSACASA-N 1 0 249.358 1.367 20 10 BDCDRO COCC[NH2+]Cc1cc(OC)ccc1O ZINC000020085633 174335814 /nfs/dbraw/zinc/33/58/14/174335814.db2.gz LLNJGAQAFAVVJU-UHFFFAOYSA-N 1 0 211.261 1.137 20 10 BDCDRO COCCOCC[NH2+]Cc1ccccc1O ZINC000044693457 174357085 /nfs/dbraw/zinc/35/70/85/174357085.db2.gz HWGCMIHEOIAAFR-UHFFFAOYSA-N 1 0 225.288 1.145 20 10 BDCDRO COC[C@@H](O)CC[NH2+][C@H](C)c1ccccc1O ZINC000183634025 174491226 /nfs/dbraw/zinc/49/12/26/174491226.db2.gz KRTACYMXVCXYSE-MNOVXSKESA-N 1 0 239.315 1.440 20 10 BDCDRO COc1ccc(C[NH2+]CCCO)cc1C ZINC000035052471 175106923 /nfs/dbraw/zinc/10/69/23/175106923.db2.gz UXFULRRWNQVEBH-UHFFFAOYSA-N 1 0 209.289 1.476 20 10 BDCDRO COc1ccc(C[NH2+]Cc2cnnn2C)cc1C ZINC000267530009 175108410 /nfs/dbraw/zinc/10/84/10/175108410.db2.gz RRNYVQYJGRHOLT-UHFFFAOYSA-N 1 0 246.314 1.422 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCn2ccnc2)c1 ZINC000041119344 175159193 /nfs/dbraw/zinc/15/91/93/175159193.db2.gz VJHRNEORHOZIOX-UHFFFAOYSA-N 1 0 247.298 1.387 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCCCCO)c1 ZINC000083367183 175159516 /nfs/dbraw/zinc/15/95/16/175159516.db2.gz YUQHIAAAHHQSOB-UHFFFAOYSA-N 1 0 239.315 1.653 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)O)c1 ZINC000035601839 175159901 /nfs/dbraw/zinc/15/99/01/175159901.db2.gz UVAXSFWALKDRRH-DTWKUNHWSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CO)c1 ZINC000035602995 175160114 /nfs/dbraw/zinc/16/01/14/175160114.db2.gz DUYOAJLSKAHSLA-IUCAKERBSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CO)c1 ZINC000035603001 175160339 /nfs/dbraw/zinc/16/03/39/175160339.db2.gz DUYOAJLSKAHSLA-RKDXNWHRSA-N 1 0 225.288 1.432 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCN(C)C)c1 ZINC000022141536 175160843 /nfs/dbraw/zinc/16/08/43/175160843.db2.gz OKQWPOYVZWLUOK-SNVBAGLBSA-N 1 0 238.331 1.613 20 10 BDCDRO COc1cccc(C[NH2+]CCOC(C)C)c1O ZINC000168959771 175264748 /nfs/dbraw/zinc/26/47/48/175264748.db2.gz LFICNYRDJUCUOF-UHFFFAOYSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CCCOC2)c1O ZINC000109543592 175266430 /nfs/dbraw/zinc/26/64/30/175266430.db2.gz AGHJHHRDMGKAPF-LLVKDONJSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CCN(C)C2)c1O ZINC000042544201 175267008 /nfs/dbraw/zinc/26/70/08/175267008.db2.gz UXOJSZFATRWJHK-LLVKDONJSA-N 1 0 236.315 1.195 20 10 BDCDRO C[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)N(C)C ZINC000038087507 175732357 /nfs/dbraw/zinc/73/23/57/175732357.db2.gz CRIANRBOOFQNRQ-NSHDSACASA-N 1 0 234.343 1.661 20 10 BDCDRO C[C@H]([NH2+]CCCOCCO)c1ccccc1O ZINC000183721903 176845605 /nfs/dbraw/zinc/84/56/05/176845605.db2.gz MRRCKOZMCXTWMD-NSHDSACASA-N 1 0 239.315 1.442 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(N)cc2)CCCO1 ZINC000061912850 177263722 /nfs/dbraw/zinc/26/37/22/177263722.db2.gz BQWQYPRTWLEMNY-NSHDSACASA-N 1 0 220.316 1.880 20 10 BDCDRO Oc1ccccc1C[NH2+]CC12CC(C1)CO2 ZINC000527788861 323695142 /nfs/dbraw/zinc/69/51/42/323695142.db2.gz LJVLIMLSTAFXBZ-UHFFFAOYSA-N 1 0 219.284 1.661 20 10 BDCDRO CCn1nncc1C[NH2+]Cc1cccc(C)c1O ZINC000529639929 324368814 /nfs/dbraw/zinc/36/88/14/324368814.db2.gz STGDNQYLLJLZRZ-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1COCCN1)c1ccccc1O ZINC000530218585 324535890 /nfs/dbraw/zinc/53/58/90/324535890.db2.gz CVRWBYJEPWMBMJ-WDEREUQCSA-N 1 0 236.315 1.031 20 10 BDCDRO CCOCCN1CCCc2cc(C[NH3+])ccc21 ZINC000062801586 535591801 /nfs/dbraw/zinc/59/18/01/535591801.db2.gz MLJLIIAXPYCXGN-UHFFFAOYSA-N 1 0 234.343 1.934 20 10 BDCDRO CN(Cc1cc(F)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000220108316 583176252 /nfs/dbraw/zinc/17/62/52/583176252.db2.gz QWQIWMUGIGGBNM-LLVKDONJSA-N 1 0 224.279 1.325 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1cc(F)ccc1O ZINC000854231701 588781457 /nfs/dbraw/zinc/78/14/57/588781457.db2.gz JYUAWASRADADPQ-RKDXNWHRSA-N 1 0 226.295 1.790 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894157607 583320780 /nfs/dbraw/zinc/32/07/80/583320780.db2.gz WLKFWEKGEYLLJT-LLVKDONJSA-N 1 0 239.315 1.570 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894157608 583320983 /nfs/dbraw/zinc/32/09/83/583320983.db2.gz WLKFWEKGEYLLJT-NSHDSACASA-N 1 0 239.315 1.570 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C(C)(C)CO)c1O ZINC000894391578 583446548 /nfs/dbraw/zinc/44/65/48/583446548.db2.gz FYJOSNXWWADWFT-UHFFFAOYSA-N 1 0 239.315 1.570 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](CO)CC(F)F ZINC000894567508 583485171 /nfs/dbraw/zinc/48/51/71/583485171.db2.gz RFCIFACKUACEMM-VIFPVBQESA-N 1 0 245.269 1.806 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2COCO2)c(O)c1 ZINC000894888916 583547271 /nfs/dbraw/zinc/54/72/71/583547271.db2.gz MEKVLHSAPVZBLY-NSHDSACASA-N 1 0 223.272 1.163 20 10 BDCDRO CC1=NO[C@H](C[NH2+]Cc2cc(C)ccc2O)C1 ZINC000895308540 583646391 /nfs/dbraw/zinc/64/63/91/583646391.db2.gz MRKCPXSVMOKDMK-LBPRGKRZSA-N 1 0 234.299 1.955 20 10 BDCDRO CC1=NO[C@H](C[NH2+]Cc2cccc(C)c2O)C1 ZINC000895307067 583647476 /nfs/dbraw/zinc/64/74/76/583647476.db2.gz NYODNHDQYHYELB-LBPRGKRZSA-N 1 0 234.299 1.955 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000895351156 583656704 /nfs/dbraw/zinc/65/67/04/583656704.db2.gz QCYWLVWVPOJQHQ-XYPYZODXSA-N 1 0 237.299 1.322 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895651664 583703126 /nfs/dbraw/zinc/70/31/26/583703126.db2.gz BBEFTJDXFMEUQM-AAEUAGOBSA-N 1 0 219.284 1.267 20 10 BDCDRO COCC1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000895976526 583753138 /nfs/dbraw/zinc/75/31/38/583753138.db2.gz RDFUEEUQFBWXPV-UHFFFAOYSA-N 1 0 221.300 1.779 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1C ZINC000858249277 588940345 /nfs/dbraw/zinc/94/03/45/588940345.db2.gz NICJXMRYJVHRJD-UMSPYCQHSA-N 1 0 248.326 1.363 20 10 BDCDRO C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988583 583933535 /nfs/dbraw/zinc/93/35/35/583933535.db2.gz UBEJNCBHEGKNCP-VHSXEESVSA-N 1 0 236.315 1.425 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1CCN(C)C1 ZINC000729682097 584022571 /nfs/dbraw/zinc/02/25/71/584022571.db2.gz MSUAVARAYIZSTL-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC000897681305 584038940 /nfs/dbraw/zinc/03/89/40/584038940.db2.gz QTPLAMHWUUHTPT-PELKAZGASA-N 1 0 225.263 1.344 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC000897683790 584040656 /nfs/dbraw/zinc/04/06/56/584040656.db2.gz GXIMLUQHBPNXFB-GXSJLCMTSA-N 1 0 237.299 1.213 20 10 BDCDRO Cc1ccc(O)c(CNC[C@@H]2CCC[NH2+]2)c1 ZINC000841035730 584042724 /nfs/dbraw/zinc/04/27/24/584042724.db2.gz LAUAGPSVQBMVAZ-LBPRGKRZSA-N 1 0 220.316 1.542 20 10 BDCDRO CCc1cccc(C[NH2+][C@]2(C)CCNC2=O)c1O ZINC000897868852 584055498 /nfs/dbraw/zinc/05/54/98/584055498.db2.gz NEGIOMYGNGISAV-CQSZACIVSA-N 1 0 248.326 1.323 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000898188125 584094229 /nfs/dbraw/zinc/09/42/29/584094229.db2.gz KGDUNVCQJLOXQC-DGCLKSJQSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(C[NH2+]CC[C@H](O)C2CC2)c(O)c1 ZINC000898195703 584096683 /nfs/dbraw/zinc/09/66/83/584096683.db2.gz YWPMNKBALSYCGN-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO Oc1ccc(Cl)cc1CN[C@H]1CCC[NH2+]C1 ZINC000841041644 584118280 /nfs/dbraw/zinc/11/82/80/584118280.db2.gz CLGKMOWLSHMUMG-NSHDSACASA-N 1 0 240.734 1.887 20 10 BDCDRO C[C@H](N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccccc1O ZINC000902472160 584601155 /nfs/dbraw/zinc/60/11/55/584601155.db2.gz YEGRXDCRTNPZJX-YRRQLQLVSA-N 1 0 232.327 1.936 20 10 BDCDRO C[C@@H]([NH2+]Cc1cccc(Cl)c1[O-])[C@H](C)[NH3+] ZINC000841076980 584761551 /nfs/dbraw/zinc/76/15/51/584761551.db2.gz VSPHSJXLLRAZLE-JGVFFNPUSA-N 1 0 228.723 1.871 20 10 BDCDRO Cc1cc(O)c(CN[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903960766 584828046 /nfs/dbraw/zinc/82/80/46/584828046.db2.gz YZAACMPGGFUGKN-DGCLKSJQSA-N 1 0 234.343 1.707 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCCN(C)C1 ZINC000876962102 584888267 /nfs/dbraw/zinc/88/82/67/584888267.db2.gz MCVFUBXXZNIEDZ-LBPRGKRZSA-N 1 0 234.343 1.884 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)CO)cc1 ZINC000126350220 584890421 /nfs/dbraw/zinc/89/04/21/584890421.db2.gz WVTHPQGCQURHDH-UHFFFAOYSA-N 1 0 236.359 1.861 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@@H](O)C1CC1 ZINC000734844750 584968972 /nfs/dbraw/zinc/96/89/72/584968972.db2.gz UFHRGSRCAPHZSD-GFCCVEGCSA-N 1 0 237.299 1.261 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1CCCNC1=O)c1ccccc1O ZINC000838916111 585078147 /nfs/dbraw/zinc/07/81/47/585078147.db2.gz DVFBHNBAXFUJPT-GHMZBOCLSA-N 1 0 248.326 1.569 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H](CO)C2CC2)cc1C ZINC000742371117 585125220 /nfs/dbraw/zinc/12/52/20/585125220.db2.gz IBSRCCMLQUUUCU-ZDUSSCGKSA-N 1 0 235.327 1.870 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000775650108 585682582 /nfs/dbraw/zinc/68/25/82/585682582.db2.gz QMLKHIDDJJWNIM-GFCCVEGCSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCNC2=O)c1O ZINC000775743468 585683929 /nfs/dbraw/zinc/68/39/29/585683929.db2.gz HJNQWLAAMDLIKG-NSHDSACASA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2CCN(C)C2)cc1C ZINC000776175030 585691673 /nfs/dbraw/zinc/69/16/73/585691673.db2.gz VWYWJPRRHCUJIA-ZDUSSCGKSA-N 1 0 234.343 1.803 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)C[C@H](O)C2CC2)cc1 ZINC000785700062 585878604 /nfs/dbraw/zinc/87/86/04/585878604.db2.gz VFVJSTAZIHGODJ-HNNXBMFYSA-N 1 0 248.370 1.955 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)[C@@H]1C ZINC000787420566 585909388 /nfs/dbraw/zinc/90/93/88/585909388.db2.gz IYECOHSCTKIPNA-PWSUYJOCSA-N 1 0 249.310 1.776 20 10 BDCDRO COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000792197602 585997558 /nfs/dbraw/zinc/99/75/58/585997558.db2.gz ZBIUMUBHKAQFHO-JQWIXIFHSA-N 1 0 249.310 1.824 20 10 BDCDRO C[C@@H]([NH2+]CCN1CCNC1=O)c1ccccc1O ZINC000808744285 586486721 /nfs/dbraw/zinc/48/67/21/586486721.db2.gz XTFNMHOKNMPYDE-SNVBAGLBSA-N 1 0 249.314 1.068 20 10 BDCDRO C[S@@](=O)CCC[NH2+]Cc1ccccc1O ZINC000116919996 589055510 /nfs/dbraw/zinc/05/55/10/589055510.db2.gz ZNNZLGYRWCQFHE-HNNXBMFYSA-N 1 0 227.329 1.250 20 10 BDCDRO Cc1cc(C[NH2+]C2(C(N)=O)CC2)ccc1N(C)C ZINC000815087158 586665638 /nfs/dbraw/zinc/66/56/38/586665638.db2.gz CQOLWYWKOYGNCU-UHFFFAOYSA-N 1 0 247.342 1.169 20 10 BDCDRO Cc1cc(C[NH2+][C@@H](CO)C2CC2)ccc1N(C)C ZINC000815090154 586665664 /nfs/dbraw/zinc/66/56/64/586665664.db2.gz JIAUDQMCTFIRQL-AWEZNQCLSA-N 1 0 248.370 1.922 20 10 BDCDRO CCN(C)c1ccc(C[N@H+](C)CCCO)cc1 ZINC000815106856 586666950 /nfs/dbraw/zinc/66/69/50/586666950.db2.gz BQMPJVSWOFAERU-UHFFFAOYSA-N 1 0 236.359 1.957 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000817894131 586834396 /nfs/dbraw/zinc/83/43/96/586834396.db2.gz BYCDORRBKJPBFS-ZIAGYGMSSA-N 1 0 233.359 1.722 20 10 BDCDRO C[C@@H]1C[C@@H](NCC[NH3+])c2c1c(F)ccc2O ZINC000817935456 586843533 /nfs/dbraw/zinc/84/35/33/586843533.db2.gz WERXVXVPVNSXCG-VXNVDRBHSA-N 1 0 224.279 1.628 20 10 BDCDRO Cc1cc(Cl)cc([C@H](C)NCC[NH3+])c1O ZINC000817937613 586844259 /nfs/dbraw/zinc/84/42/59/586844259.db2.gz YKDMECOPRATMEY-QMMMGPOBSA-N 1 0 228.723 1.963 20 10 BDCDRO C[C@H](N[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817940476 586845089 /nfs/dbraw/zinc/84/50/89/586845089.db2.gz ICLBGZVTQSBFHF-GXSJLCMTSA-N 1 0 238.306 1.934 20 10 BDCDRO C[NH2+]CCN[C@H](C)c1cc(C)ccc1O ZINC000817951219 586848082 /nfs/dbraw/zinc/84/80/82/586848082.db2.gz BRYAWAJVQSXNMS-SNVBAGLBSA-N 1 0 208.305 1.571 20 10 BDCDRO C[C@H](NC[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000817953307 586848607 /nfs/dbraw/zinc/84/86/07/586848607.db2.gz ZTIDAOBFFIIORT-QWRGUYRKSA-N 1 0 220.316 1.795 20 10 BDCDRO Oc1cccc2c1[C@@H](NC[C@@H]1CCC[NH2+]1)CC2 ZINC000817953602 586848635 /nfs/dbraw/zinc/84/86/35/586848635.db2.gz OXXXQNLHKJOAEM-RYUDHWBXSA-N 1 0 232.327 1.721 20 10 BDCDRO C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817962955 586852784 /nfs/dbraw/zinc/85/27/84/586852784.db2.gz PSQFSFXASMLSHY-RKDXNWHRSA-N 1 0 226.295 1.777 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CN)c1 ZINC000817966264 586855186 /nfs/dbraw/zinc/85/51/86/586855186.db2.gz JXHWLARLVXZPLP-BDAKNGLRSA-N 1 0 224.304 1.399 20 10 BDCDRO C[C@@H](CN)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817969659 586855917 /nfs/dbraw/zinc/85/59/17/586855917.db2.gz GFAGOWMBBNIUMJ-WCBMZHEXSA-N 1 0 206.289 1.316 20 10 BDCDRO C[C@@H](NC[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC000817972186 586859026 /nfs/dbraw/zinc/85/90/26/586859026.db2.gz UWPPINVTCIYUCL-WDEREUQCSA-N 1 0 221.348 1.750 20 10 BDCDRO NC(=O)CC[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819095767 586930720 /nfs/dbraw/zinc/93/07/20/586930720.db2.gz TZNPNUOGPYXZBV-UHFFFAOYSA-N 1 0 245.326 1.028 20 10 BDCDRO COC(=O)C1(C)C[NH+](Cc2cc(C)ccc2O)C1 ZINC000822534447 587173639 /nfs/dbraw/zinc/17/36/39/587173639.db2.gz GUQNPVANOJUCGT-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO COCCC1C[NH+](Cc2ccccc2O)C1 ZINC000826899557 587364819 /nfs/dbraw/zinc/36/48/19/587364819.db2.gz OIWFNPVNKGJDNX-UHFFFAOYSA-N 1 0 221.300 1.861 20 10 BDCDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(C)c2O)C1 ZINC000827812914 587404027 /nfs/dbraw/zinc/40/40/27/587404027.db2.gz ZERWDJJXOSCJLH-HAQNSBGRSA-N 1 0 249.310 1.742 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCCN(C=O)CC2)c1O ZINC000827871447 587406424 /nfs/dbraw/zinc/40/64/24/587406424.db2.gz APNUSBHOQNFECP-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO COc1cccc(C[N@H+](C)C2(CO)CC2)c1O ZINC000827904242 587409584 /nfs/dbraw/zinc/40/95/84/587409584.db2.gz XRGQWTDCIXLDIV-UHFFFAOYSA-N 1 0 237.299 1.358 20 10 BDCDRO C[C@H]([NH2+]C[C@@]1(C)CCC(=O)N1)c1ccccc1O ZINC000834907735 587770169 /nfs/dbraw/zinc/77/01/69/587770169.db2.gz AZZKJIDDABMXSU-IINYFYTJSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C(N)=O)C1)c1ccccc1O ZINC000834907312 587770322 /nfs/dbraw/zinc/77/03/22/587770322.db2.gz NOPLOJVVWPJVHD-OUAUKWLOSA-N 1 0 248.326 1.697 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+][C@H](C)C1 ZINC000840908963 587929180 /nfs/dbraw/zinc/92/91/80/587929180.db2.gz ZLNGSKWBLIMDJK-CYBMUJFWSA-N 1 0 247.386 1.855 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@H](O)C1 ZINC000840910826 587929580 /nfs/dbraw/zinc/92/95/80/587929580.db2.gz SMTNTADMLYARKL-AWEZNQCLSA-N 1 0 234.343 1.628 20 10 BDCDRO Cc1ccc(O)c(CNC[C@@H]2CCCC[NH2+]2)c1 ZINC000841033042 587937244 /nfs/dbraw/zinc/93/72/44/587937244.db2.gz NDPFSQFFWMIRSC-ZDUSSCGKSA-N 1 0 234.343 1.932 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC[C@@H]1CCC[NH2+]1 ZINC000841036319 587937474 /nfs/dbraw/zinc/93/74/74/587937474.db2.gz RKJKIDGAVQQTFJ-AWEZNQCLSA-N 1 0 247.386 1.903 20 10 BDCDRO CCN(CC)c1ccc(CNCC[NH2+]C)cc1 ZINC000841035651 587937670 /nfs/dbraw/zinc/93/76/70/587937670.db2.gz LMKITGVWZVRQJV-UHFFFAOYSA-N 1 0 235.375 1.842 20 10 BDCDRO CC[NH2+]CCNCc1ccc(N(C)C)c(F)c1 ZINC000841037041 587937835 /nfs/dbraw/zinc/93/78/35/587937835.db2.gz OIOONBWKBIXAIS-UHFFFAOYSA-N 1 0 239.338 1.591 20 10 BDCDRO CCOc1ccc(O)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000841044814 587938940 /nfs/dbraw/zinc/93/89/40/587938940.db2.gz IWTQEEZARWYBKW-LLVKDONJSA-N 1 0 236.315 1.242 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000841045294 587939312 /nfs/dbraw/zinc/93/93/12/587939312.db2.gz RWMBHNISLYVOCP-NSHDSACASA-N 1 0 206.289 1.152 20 10 BDCDRO C[C@H](C[NH3+])NC/C=C/c1ccc(N(C)C)cc1 ZINC000841061495 587941558 /nfs/dbraw/zinc/94/15/58/587941558.db2.gz ZLKRYKFIDBVGJG-ZYOFXKKJSA-N 1 0 233.359 1.703 20 10 BDCDRO C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(F)c1[O-] ZINC000841081255 587944816 /nfs/dbraw/zinc/94/48/16/587944816.db2.gz RXTFYWRIODOXQX-VIFPVBQESA-N 1 0 226.295 1.748 20 10 BDCDRO Oc1ccc(F)cc1CN[C@H]1CCCC[NH2+]C1 ZINC000841090407 587945489 /nfs/dbraw/zinc/94/54/89/587945489.db2.gz OQBGADUQGHAIPB-LBPRGKRZSA-N 1 0 238.306 1.763 20 10 BDCDRO Cc1cc(O)c(CN(C)[C@H]2CC[NH2+]C2)cc1C ZINC000843049587 588076617 /nfs/dbraw/zinc/07/66/17/588076617.db2.gz RQOVUHLAWGIXCM-ZDUSSCGKSA-N 1 0 234.343 1.803 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN(C)[C@@H]1CC[NH2+]C1 ZINC000843049221 588077221 /nfs/dbraw/zinc/07/72/21/588077221.db2.gz HJLGYMATNJHXTE-OAHLLOKOSA-N 1 0 247.386 1.855 20 10 BDCDRO CN(C)c1ccc(/C=C\CN(C)C2C[NH2+]C2)cc1 ZINC000843125830 588084169 /nfs/dbraw/zinc/08/41/69/588084169.db2.gz ANGFOSQFVBACIN-PLNGDYQASA-N 1 0 245.370 1.669 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]CC[C@@H](C)O)c1O ZINC000846147950 588258615 /nfs/dbraw/zinc/25/86/15/588258615.db2.gz WFSPZEKLITUWHP-ZJUUUORDSA-N 1 0 239.315 1.822 20 10 BDCDRO CN(C)c1ccc(CNC(=[NH2+])NC2CCC2)cc1 ZINC000848982384 588424099 /nfs/dbraw/zinc/42/40/99/588424099.db2.gz OJFBVGRNSQNZJS-UHFFFAOYSA-N 1 0 246.358 1.919 20 10 BDCDRO C[C@@H]1CN(C(=[NH2+])NCc2ccccc2O)CCO1 ZINC000848984858 588425219 /nfs/dbraw/zinc/42/52/19/588425219.db2.gz MAJWEVPJUCWZCK-SNVBAGLBSA-N 1 0 249.314 1.137 20 10 BDCDRO COc1ccc(CNC(=[NH2+])N2CCC2)c(O)c1 ZINC000849025255 588440386 /nfs/dbraw/zinc/44/03/86/588440386.db2.gz WCMXPILMZOPJKF-UHFFFAOYSA-N 1 0 235.287 1.131 20 10 BDCDRO COc1ccc(CNC2=[NH+]CCCCN2)c(O)c1 ZINC000849216642 588462734 /nfs/dbraw/zinc/46/27/34/588462734.db2.gz ONQPAENFWRAINS-UHFFFAOYSA-N 1 0 249.314 1.230 20 10 BDCDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1O ZINC000850113624 588520498 /nfs/dbraw/zinc/52/04/98/588520498.db2.gz OYHCZLMWQNRPRJ-YUSALJHKSA-N 1 0 249.310 1.679 20 10 BDCDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1O ZINC000850113623 588520505 /nfs/dbraw/zinc/52/05/05/588520505.db2.gz OYHCZLMWQNRPRJ-MVWJERBFSA-N 1 0 249.310 1.679 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000850417731 588545128 /nfs/dbraw/zinc/54/51/28/588545128.db2.gz JWKRTKKGNKTYIK-HFZCLPNCSA-N 1 0 246.354 1.879 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2C[C@H](O)C2)cc1C ZINC000850417914 588545174 /nfs/dbraw/zinc/54/51/74/588545174.db2.gz QWODNWCDUCUQGA-HAQNSBGRSA-N 1 0 221.300 1.617 20 10 BDCDRO COC(=O)C1=CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000862465885 589215997 /nfs/dbraw/zinc/21/59/97/589215997.db2.gz WAGNAUNBVDAOPZ-GFCCVEGCSA-N 1 0 247.294 1.744 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)CC1(C)COC1 ZINC000862477762 589216415 /nfs/dbraw/zinc/21/64/15/589216415.db2.gz QLIHVLQELKTJHU-UHFFFAOYSA-N 1 0 239.290 2.000 20 10 BDCDRO Cc1cccc(CN[C@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863483823 589293245 /nfs/dbraw/zinc/29/32/45/589293245.db2.gz DULUZDOYRXOHSY-YPMHNXCESA-N 1 0 234.343 1.931 20 10 BDCDRO CN(CC[C@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863558594 589299128 /nfs/dbraw/zinc/29/91/28/589299128.db2.gz ONOPUSVSLMACIZ-LLVKDONJSA-N 1 0 219.332 1.705 20 10 BDCDRO COc1cccc(CNC(=[NH2+])N[C@@H]2C[C@H]2C)c1O ZINC000864455964 589366761 /nfs/dbraw/zinc/36/67/61/589366761.db2.gz AZHVGNLNKASTQI-PSASIEDQSA-N 1 0 249.314 1.423 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1ccccc1O ZINC000870988535 589707056 /nfs/dbraw/zinc/70/70/56/589707056.db2.gz SAFYUEUXMXKPBF-JLLWLGSASA-N 1 0 248.326 1.697 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000020087724 590071868 /nfs/dbraw/zinc/07/18/68/590071868.db2.gz IISOBCDJUCVSPD-SECBINFHSA-N 1 0 225.288 1.525 20 10 BDCDRO COc1ccc(N(C)C[C@H](C)[NH3+])cc1OC ZINC000020239527 590090335 /nfs/dbraw/zinc/09/03/35/590090335.db2.gz MFZJCCQHUWCDMR-VIFPVBQESA-N 1 0 224.304 1.487 20 10 BDCDRO CN(CCC[NH3+])c1ccc2c(c1)OCO2 ZINC000020239949 590090577 /nfs/dbraw/zinc/09/05/77/590090577.db2.gz SWDXMTAZLFMFNM-UHFFFAOYSA-N 1 0 208.261 1.200 20 10 BDCDRO CCN(C[C@H](C)[NH3+])c1ccc(OC)cc1 ZINC000020239635 590090705 /nfs/dbraw/zinc/09/07/05/590090705.db2.gz OUNMXRNTNMYRPX-JTQLQIEISA-N 1 0 208.305 1.869 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CCC(O)CC1 ZINC000876541057 590212263 /nfs/dbraw/zinc/21/22/63/590212263.db2.gz SFETVYZIBXOWCU-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876594464 590219889 /nfs/dbraw/zinc/21/98/89/590219889.db2.gz NRCUUXZIMYAUBB-LLVKDONJSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC3(C2)OCCO3)c(O)c1 ZINC000876685044 590230398 /nfs/dbraw/zinc/23/03/98/590230398.db2.gz WQBSAANLKAWQBT-UHFFFAOYSA-N 1 0 249.310 1.649 20 10 BDCDRO CC[N@H+](CCCO)Cc1c(C)cccc1O ZINC000876766992 590239887 /nfs/dbraw/zinc/23/98/87/590239887.db2.gz XYNHIZCIAVJDSG-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO Cc1ccc(C[NH2+]CCn2ccnc2)c(O)c1 ZINC000876892200 590255142 /nfs/dbraw/zinc/25/51/42/590255142.db2.gz NBCQMOMAZONKDF-UHFFFAOYSA-N 1 0 231.299 1.687 20 10 BDCDRO Cc1ccc(C[NH2+]C2CCOCC2)c(O)c1 ZINC000876949611 590259949 /nfs/dbraw/zinc/25/99/49/590259949.db2.gz SUEOMWUGFHKYLC-UHFFFAOYSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(C[NH2+]CC2(C)COC2)c(O)c1 ZINC000877031846 590271593 /nfs/dbraw/zinc/27/15/93/590271593.db2.gz VYTJGZIEEWBYJK-UHFFFAOYSA-N 1 0 221.300 1.827 20 10 BDCDRO CC(C)[C@@H](C(=O)N(C)c1ccc(N)cc1)[C@H](C)[NH3+] ZINC000877076069 590278842 /nfs/dbraw/zinc/27/88/42/590278842.db2.gz LUVAQDZZBUPXEE-GXFFZTMASA-N 1 0 249.358 1.851 20 10 BDCDRO C[C@H]1C[C@@H](C(=O)N(C)c2ccc(N)cc2)CC[NH2+]1 ZINC000877077548 590279263 /nfs/dbraw/zinc/27/92/63/590279263.db2.gz MOELXNLLIGOYLQ-QWRGUYRKSA-N 1 0 247.342 1.620 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1c(C)cccc1O ZINC000877110678 590287029 /nfs/dbraw/zinc/28/70/29/590287029.db2.gz CBEWFSCBSKIHJN-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+]CC(C)(C)CO)c(O)c1 ZINC000877117687 590288626 /nfs/dbraw/zinc/28/86/26/590288626.db2.gz PFCBIIFSKXMXPP-UHFFFAOYSA-N 1 0 223.316 1.809 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCCOCCO ZINC000877186431 590298525 /nfs/dbraw/zinc/29/85/25/590298525.db2.gz OBNAHKSIYVWYHR-UHFFFAOYSA-N 1 0 239.315 1.189 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1cn(C)nn1 ZINC000877194453 590299331 /nfs/dbraw/zinc/29/93/31/590299331.db2.gz MXVFNFIDWKVTKY-UHFFFAOYSA-N 1 0 232.287 1.119 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)C[C@H](C)O)c(O)c1 ZINC000877195861 590299334 /nfs/dbraw/zinc/29/93/34/590299334.db2.gz PBDIYTNQKWHZFV-MNOVXSKESA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCCn2ccnn2)c1 ZINC000126473106 590316074 /nfs/dbraw/zinc/31/60/74/590316074.db2.gz OMQGTZKPXCJBJH-UHFFFAOYSA-N 1 0 246.314 1.472 20 10 BDCDRO Cc1ccc(C[NH2+]C2(CC(N)=O)CCC2)c(O)c1 ZINC000877412220 590324410 /nfs/dbraw/zinc/32/44/10/590324410.db2.gz WARVFQSBMQDOSI-UHFFFAOYSA-N 1 0 248.326 1.588 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](C)CC1CC(O)C1 ZINC000877463419 590332186 /nfs/dbraw/zinc/33/21/86/590332186.db2.gz CRIMERIXIXAFMD-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c(O)c1 ZINC000877503632 590342797 /nfs/dbraw/zinc/34/27/97/590342797.db2.gz RSEGWJCNYFAELF-BETUJISGSA-N 1 0 249.310 1.300 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)CN(C)C)c(O)c1 ZINC000877523823 590346324 /nfs/dbraw/zinc/34/63/24/590346324.db2.gz ZPKKSTYIUMAQHR-NSHDSACASA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC[C@H]1O ZINC000877579058 590364466 /nfs/dbraw/zinc/36/44/66/590364466.db2.gz RUSUSQZIKDDIME-DGCLKSJQSA-N 1 0 221.300 1.704 20 10 BDCDRO Cc1ccc(C[NH2+]CCc2cn(C)cn2)c(O)c1 ZINC000877584806 590367569 /nfs/dbraw/zinc/36/75/69/590367569.db2.gz ZBVSYMMFTYTQTH-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO COc1cc(C[NH2+]Cc2ccc(C)cc2O)on1 ZINC000877635435 590381076 /nfs/dbraw/zinc/38/10/76/590381076.db2.gz QWVQNUAJSYQCMD-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1c(C)cccc1O ZINC000877641030 590383209 /nfs/dbraw/zinc/38/32/09/590383209.db2.gz UTIIDSSIJPOCNV-OLZOCXBDSA-N 1 0 221.300 1.968 20 10 BDCDRO Cc1ccc(C[NH2+]CCOCCF)c(O)c1 ZINC000877644732 590383773 /nfs/dbraw/zinc/38/37/73/590383773.db2.gz RUYVOUVQWSCGTK-UHFFFAOYSA-N 1 0 227.279 1.776 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1CCOC1 ZINC000127352334 590624740 /nfs/dbraw/zinc/62/47/40/590624740.db2.gz QMNATUYHAHDHJL-QMMMGPOBSA-N 1 0 227.691 1.924 20 10 BDCDRO C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2O)C1 ZINC000127714615 590758458 /nfs/dbraw/zinc/75/84/58/590758458.db2.gz SGBABAVXEMQNQV-ZYHUDNBSSA-N 1 0 248.326 1.397 20 10 BDCDRO C[C@@H]([NH2+]CCc1cn(C)nn1)c1ccccc1O ZINC000879650163 590842416 /nfs/dbraw/zinc/84/24/16/590842416.db2.gz MPDDTRVKFNHHIE-SNVBAGLBSA-N 1 0 246.314 1.414 20 10 BDCDRO C[C@H]([NH2+]CC[C@@H]1CCNC1=O)c1ccccc1O ZINC000879650360 590843777 /nfs/dbraw/zinc/84/37/77/590843777.db2.gz WQGJEXYYLWNLPU-WDEREUQCSA-N 1 0 248.326 1.569 20 10 BDCDRO Cc1cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)ccc1N(C)C ZINC000880420031 591029532 /nfs/dbraw/zinc/02/95/32/591029532.db2.gz WKOMMNAOMZMVLZ-UKRRQHHQSA-N 1 0 246.354 1.628 20 10 BDCDRO O=C(NCc1ccccc1O)[C@@H]1CCCC[NH2+]1 ZINC000132520398 591715947 /nfs/dbraw/zinc/71/59/47/591715947.db2.gz HBLZEVQKGCKQJD-NSHDSACASA-N 1 0 234.299 1.151 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000133259253 591781031 /nfs/dbraw/zinc/78/10/31/591781031.db2.gz FJFPAGHGHYRMLF-VXGBXAGGSA-N 1 0 221.300 1.704 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1[NH3+] ZINC000220189327 592287639 /nfs/dbraw/zinc/28/76/39/592287639.db2.gz VKQVLPSAKUBEOS-CABZTGNLSA-N 1 0 238.306 1.700 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)CCO)c1 ZINC000096811523 635635110 /nfs/dbraw/zinc/63/51/10/635635110.db2.gz ZISTXWGGXPRHQK-SNVBAGLBSA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1cc(Cl)cc([C@@H](C)[NH2+]CCO)c1O ZINC000309115180 631887569 /nfs/dbraw/zinc/88/75/69/631887569.db2.gz LGSHPHFRIOKRFP-MRVPVSSYSA-N 1 0 229.707 1.997 20 10 BDCDRO OC[C@@H](CC1CC1)[NH2+]Cc1ccccc1O ZINC000309560739 632533482 /nfs/dbraw/zinc/53/34/82/632533482.db2.gz JEEQCYZKOAQYOJ-GFCCVEGCSA-N 1 0 221.300 1.643 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC[C@@H](C)O ZINC000309917384 632680595 /nfs/dbraw/zinc/68/05/95/632680595.db2.gz QEJUIIYBGDSKMD-SECBINFHSA-N 1 0 225.288 1.261 20 10 BDCDRO C=Cn1cc(C[NH2+]Cc2ccccc2O)cn1 ZINC000236565406 632981121 /nfs/dbraw/zinc/98/11/21/632981121.db2.gz SXASWLFJASRTSE-UHFFFAOYSA-N 1 0 229.283 1.979 20 10 BDCDRO CC[S@](=O)CC[NH2+]Cc1cccc(C)c1O ZINC000162640082 633034341 /nfs/dbraw/zinc/03/43/41/633034341.db2.gz SJKFVDCCWMUOSW-MRXNPFEDSA-N 1 0 241.356 1.559 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H](C)CC(N)=O)c1 ZINC000168827942 633149423 /nfs/dbraw/zinc/14/94/23/633149423.db2.gz VBNSXNZJWLOXGX-ZJUUUORDSA-N 1 0 236.315 1.615 20 10 BDCDRO CCCN1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000328527888 633771868 /nfs/dbraw/zinc/77/18/68/633771868.db2.gz VNHPPVJJUIVGEQ-CYBMUJFWSA-N 1 0 234.343 1.966 20 10 BDCDRO C[S@@](=O)C1(C[NH2+]Cc2ccccc2O)CC1 ZINC000309882318 633899178 /nfs/dbraw/zinc/89/91/78/633899178.db2.gz WEXNUAAALPCRNL-MRXNPFEDSA-N 1 0 239.340 1.393 20 10 BDCDRO Cc1cccc(C[N@H+](C)CC2CC(O)C2)c1O ZINC000191161368 634204431 /nfs/dbraw/zinc/20/44/31/634204431.db2.gz ZSWHMINMYKHMEI-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000323520377 635136457 /nfs/dbraw/zinc/13/64/57/635136457.db2.gz HQOMYCIECLCSKM-QWRGUYRKSA-N 1 0 237.299 1.404 20 10 BDCDRO [NH3+][C@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000259024271 635233677 /nfs/dbraw/zinc/23/36/77/635233677.db2.gz OGXBHZJNOYARLE-STQMWFEESA-N 1 0 232.327 1.591 20 10 BDCDRO c1cc2c(cc1CN[C@@H]1CC[NH2+]C1)CCCO2 ZINC000259221126 635254037 /nfs/dbraw/zinc/25/40/37/635254037.db2.gz XNDJKYSNVMIKRJ-CYBMUJFWSA-N 1 0 232.327 1.463 20 10 BDCDRO CC(C)(CO)C[NH2+]Cc1cc(F)ccc1O ZINC000226617532 635438074 /nfs/dbraw/zinc/43/80/74/635438074.db2.gz CJFRXPZCPJSEFJ-UHFFFAOYSA-N 1 0 227.279 1.639 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@H](CO)C2)c(O)c1 ZINC000897355076 636376316 /nfs/dbraw/zinc/37/63/16/636376316.db2.gz CSDIWPKTQSFKDR-UMSPYCQHSA-N 1 0 221.300 1.561 20 10 BDCDRO C[C@@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000863547710 636719564 /nfs/dbraw/zinc/71/95/64/636719564.db2.gz WBRJBFLVGWUPCA-JFGNBEQYSA-N 1 0 220.316 1.793 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000323483997 636989957 /nfs/dbraw/zinc/98/99/57/636989957.db2.gz AOBBQSMLODATEA-AAEUAGOBSA-N 1 0 237.299 1.404 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCN(C)C1)c1ccccc1O ZINC000042544121 637281107 /nfs/dbraw/zinc/28/11/07/637281107.db2.gz APWITNXQFKBVDN-QWRGUYRKSA-N 1 0 220.316 1.747 20 10 BDCDRO C[C@@H]([NH2+]CCCON)c1cc(Cl)ccc1O ZINC000902426397 637304611 /nfs/dbraw/zinc/30/46/11/637304611.db2.gz SGAMIJFZOXBWOB-MRVPVSSYSA-N 1 0 244.722 1.977 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]CCCON)c(O)c1C ZINC000902426406 637306257 /nfs/dbraw/zinc/30/62/57/637306257.db2.gz SJZAYNAIIGYXMQ-NSHDSACASA-N 1 0 238.331 1.940 20 10 BDCDRO Cc1cccc(C[NH2+]CC(C)(C)O)c1O ZINC000162864028 637339982 /nfs/dbraw/zinc/33/99/82/637339982.db2.gz YSGYSRLZVOIBCY-UHFFFAOYSA-N 1 0 209.289 1.561 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000150075490 639298488 /nfs/dbraw/zinc/29/84/88/639298488.db2.gz PKILYXKCDGUNCD-VIFPVBQESA-N 1 0 240.734 1.839 20 10 BDCDRO C[NH2+]CCCCC(=O)NCCc1ccc(N)cc1 ZINC000911783199 639799896 /nfs/dbraw/zinc/79/98/96/639799896.db2.gz QTZIWGVIYISCLM-UHFFFAOYSA-N 1 0 249.358 1.317 20 10 BDCDRO COC[C@@H](C)C[NH2+]Cc1cc(OC)ccc1O ZINC000045656950 711488027 /nfs/dbraw/zinc/48/80/27/711488027.db2.gz QROXKVOFYJUQFG-JTQLQIEISA-N 1 0 239.315 1.773 20 10 BDCDRO CC[S@@](=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000163978519 640431496 /nfs/dbraw/zinc/43/14/96/640431496.db2.gz HHEDPFKAYLNQAQ-QFYYESIMSA-N 1 0 241.356 1.811 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)c1nccn1C ZINC000164019872 640433618 /nfs/dbraw/zinc/43/36/18/640433618.db2.gz NBAZVIMCSYMVRB-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000163988377 640433943 /nfs/dbraw/zinc/43/39/43/640433943.db2.gz JRLIEGIHMNPHAY-IUCAKERBSA-N 1 0 222.288 1.307 20 10 BDCDRO Oc1ccc(F)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000226580321 640775766 /nfs/dbraw/zinc/77/57/66/640775766.db2.gz ACRVEIXFSMZIJB-PHIMTYICSA-N 1 0 236.290 1.183 20 10 BDCDRO C[C@@H](O)C[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228074526 640858770 /nfs/dbraw/zinc/85/87/70/640858770.db2.gz OSKJWSZOUHNROG-GHMZBOCLSA-N 1 0 235.327 1.871 20 10 BDCDRO CCC[N@H+](Cc1ccccc1O)[C@H](C)C(N)=O ZINC000174372661 641274463 /nfs/dbraw/zinc/27/44/63/641274463.db2.gz SDGUSFQNGNJLMU-SNVBAGLBSA-N 1 0 236.315 1.478 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1COC[C@@H]1C1CC1 ZINC000914433010 641702383 /nfs/dbraw/zinc/70/23/83/641702383.db2.gz IZYFJCKAVVQUOW-OLZOCXBDSA-N 1 0 233.311 1.907 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1O ZINC000253232225 642632078 /nfs/dbraw/zinc/63/20/78/642632078.db2.gz BBXURCOIUWHRRZ-SWLSCSKDSA-N 1 0 248.370 1.955 20 10 BDCDRO COC(OC)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000070652995 643053505 /nfs/dbraw/zinc/05/35/05/643053505.db2.gz QMFUYOJPTYEZLS-SECBINFHSA-N 1 0 225.288 1.489 20 10 BDCDRO Cc1ccc(C[NH2+]CCCCCO)c(O)c1 ZINC000083352855 644403521 /nfs/dbraw/zinc/40/35/21/644403521.db2.gz BOXKHKZSEMKJKF-UHFFFAOYSA-N 1 0 223.316 1.953 20 10 BDCDRO CN(CC(C)(C)[NH3+])c1ccc2c(c1)OCO2 ZINC000084496963 644425085 /nfs/dbraw/zinc/42/50/85/644425085.db2.gz QLGQIPKUSABLCJ-UHFFFAOYSA-N 1 0 222.288 1.589 20 10 BDCDRO c1cc(CN[C@@H]2CCC[NH2+]C2)cc2c1OCC2 ZINC000084516338 644425165 /nfs/dbraw/zinc/42/51/65/644425165.db2.gz XHDMOMAWLFUTIR-CYBMUJFWSA-N 1 0 232.327 1.463 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H](C)C[C@H](C)O ZINC000782977468 644749807 /nfs/dbraw/zinc/74/98/07/644749807.db2.gz FXFSVXNQGGFYMZ-ZJUUUORDSA-N 1 0 239.315 1.650 20 10 BDCDRO COc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1C ZINC000792174975 644794046 /nfs/dbraw/zinc/79/40/46/644794046.db2.gz KRGLTBPEKHGNBS-UHFFFAOYSA-N 1 0 234.299 1.111 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1O ZINC000846046437 645390692 /nfs/dbraw/zinc/39/06/92/645390692.db2.gz HWXIPZXDOCPQND-PHIMTYICSA-N 1 0 234.299 1.054 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1O ZINC000846046963 645391193 /nfs/dbraw/zinc/39/11/93/645391193.db2.gz RBUYHCYPMCUARF-JFGNBEQYSA-N 1 0 248.326 1.697 20 10 BDCDRO COC1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877578483 645798845 /nfs/dbraw/zinc/79/88/45/645798845.db2.gz FZLDQIRSQIFUDD-UHFFFAOYSA-N 1 0 207.273 1.531 20 10 BDCDRO CC[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000707977972 712174850 /nfs/dbraw/zinc/17/48/50/712174850.db2.gz DCYYMNLZHLDGPZ-SNVBAGLBSA-N 1 0 236.315 1.349 20 10 BDCDRO COC[C@](C)(CO)[NH2+]Cc1cc(C)ccc1O ZINC000716954078 712599566 /nfs/dbraw/zinc/59/95/66/712599566.db2.gz JHTRQQFRBZMSPQ-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CCOC1)CC2 ZINC000381496010 710645825 /nfs/dbraw/zinc/64/58/25/710645825.db2.gz BFMOYAIFBIECIT-QWRGUYRKSA-N 1 0 219.284 1.758 20 10 BDCDRO C[C@@H]1C[NH2+]CCN1Cc1cc(F)ccc1O ZINC000722393972 710711808 /nfs/dbraw/zinc/71/18/08/710711808.db2.gz CNXVPUGWLJKLRA-SECBINFHSA-N 1 0 224.279 1.325 20 10 BDCDRO COC[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000382548963 710973027 /nfs/dbraw/zinc/97/30/27/710973027.db2.gz GWHJOWAVEJKDJA-GXFFZTMASA-N 1 0 239.315 1.440 20 10 BDCDRO CON(C)C(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000397521995 711385329 /nfs/dbraw/zinc/38/53/29/711385329.db2.gz JWUGWOHYVXCYEB-SECBINFHSA-N 1 0 238.287 1.063 20 10 BDCDRO [NH3+][C@@H](C(=O)NCc1ccccc1O)C1CCC1 ZINC000399022438 711419061 /nfs/dbraw/zinc/41/90/61/711419061.db2.gz FVPXDCZJOUZNJU-GFCCVEGCSA-N 1 0 234.299 1.136 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@](C)(O)C2CC2)c1O ZINC000383612951 710983959 /nfs/dbraw/zinc/98/39/59/710983959.db2.gz SYXXJPIKQFZEQV-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO COc1ccc(O)c(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000385384775 711010849 /nfs/dbraw/zinc/01/08/49/711010849.db2.gz PPNLXMIMDDIDIH-MFKMUULPSA-N 1 0 248.326 1.195 20 10 BDCDRO C[N@H+](Cc1ccccc1O)[C@H]1CN2CCC1CC2 ZINC000386444794 711030301 /nfs/dbraw/zinc/03/03/01/711030301.db2.gz CFCIBMFXMONKIW-AWEZNQCLSA-N 1 0 246.354 1.918 20 10 BDCDRO Cn1cc(C[NH2+][C@H]2CCc3cccc(O)c32)nn1 ZINC000389815587 711091524 /nfs/dbraw/zinc/09/15/24/711091524.db2.gz OSISAHSVDJQPMQ-NSHDSACASA-N 1 0 244.298 1.298 20 10 BDCDRO Cc1n[nH]cc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000038011590 711481658 /nfs/dbraw/zinc/48/16/58/711481658.db2.gz UOPDBYRVKKASCP-UHFFFAOYSA-N 1 0 243.310 1.943 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CCN1C ZINC000090721242 711503125 /nfs/dbraw/zinc/50/31/25/711503125.db2.gz ULPUYZMYDUJNPC-YPMHNXCESA-N 1 0 234.343 1.965 20 10 BDCDRO COc1ccc(C[NH2+]Cc2cnc(C)o2)c(O)c1 ZINC000397940673 711708219 /nfs/dbraw/zinc/70/82/19/711708219.db2.gz ZPCCBFFORBVJRB-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1C ZINC000054543742 711798209 /nfs/dbraw/zinc/79/82/09/711798209.db2.gz DCDVVEHDAYHIFD-LLVKDONJSA-N 1 0 248.326 1.316 20 10 BDCDRO C[NH2+]CCNCc1ccc(N(C)C)cc1 ZINC000161284412 711811302 /nfs/dbraw/zinc/81/13/02/711811302.db2.gz VDRMUHNVKNRZOE-UHFFFAOYSA-N 1 0 207.321 1.062 20 10 BDCDRO Nc1ccc(CC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000238031395 711886910 /nfs/dbraw/zinc/88/69/10/711886910.db2.gz WIJKUTIERZYCNE-UHFFFAOYSA-N 1 0 247.342 1.009 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCO[C@@H](CCF)C1 ZINC000700591099 711999076 /nfs/dbraw/zinc/99/90/76/711999076.db2.gz PHHXCFROUCRMEX-LBPRGKRZSA-N 1 0 239.290 1.953 20 10 BDCDRO CO[C@](C)(CO)C[NH2+]Cc1cc(C)ccc1O ZINC000702514988 712054235 /nfs/dbraw/zinc/05/42/35/712054235.db2.gz UVILTCYBXHFGOE-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO CCc1cccc(C[NH2+]Cc2cn(C)nn2)c1O ZINC000709428412 712221838 /nfs/dbraw/zinc/22/18/38/712221838.db2.gz AVBTZQMRSDISKU-UHFFFAOYSA-N 1 0 246.314 1.373 20 10 BDCDRO O=C(CCC1C[NH2+]C1)NCc1ccccc1O ZINC000709471582 712222327 /nfs/dbraw/zinc/22/23/27/712222327.db2.gz JPFCEBXGJGMXCD-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2COC[C@H]2C)c1 ZINC000710878289 712260620 /nfs/dbraw/zinc/26/06/20/712260620.db2.gz XIEARKWQNSFWOL-SKDRFNHKSA-N 1 0 237.299 1.525 20 10 BDCDRO O=C(CC[NH2+]CC1CC1)NCc1ccccc1O ZINC000717185301 712385468 /nfs/dbraw/zinc/38/54/68/712385468.db2.gz ILIZQKRQQIXJDN-UHFFFAOYSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C/C=C\CO)c1 ZINC000717532690 712660621 /nfs/dbraw/zinc/66/06/21/712660621.db2.gz OPYSXNVWTCHTFU-BYCRGOAPSA-N 1 0 221.300 1.900 20 10 BDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)[C@@H](C)[NH3+] ZINC000037807402 712761795 /nfs/dbraw/zinc/76/17/95/712761795.db2.gz SKTUTFUYNOTGAT-LLVKDONJSA-N 1 0 249.358 1.448 20 10 BDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)C[NH2+]C ZINC000037807411 712761798 /nfs/dbraw/zinc/76/17/98/712761798.db2.gz KJKCZTCZATVMNU-UHFFFAOYSA-N 1 0 249.358 1.321 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1COCCO1)c1ccccc1O ZINC000038060524 712804096 /nfs/dbraw/zinc/80/40/96/712804096.db2.gz RGYADTQDGYJZCU-QWRGUYRKSA-N 1 0 237.299 1.458 20 10 BDCDRO C[C@H]1[C@@H]([NH2+]Cc2cc(F)ccc2O)CCN1C ZINC000719621393 712817427 /nfs/dbraw/zinc/81/74/27/712817427.db2.gz ZVVBUEIJJDPUQL-CABZTGNLSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@@H]2C)c1 ZINC000719647573 712819982 /nfs/dbraw/zinc/81/99/82/712819982.db2.gz NMOMOLVPRBWYSG-YPMHNXCESA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C ZINC000719646951 712820071 /nfs/dbraw/zinc/82/00/71/712820071.db2.gz MJMIKYMRJPZPBS-FZMZJTMJSA-N 1 0 246.354 1.804 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C)[C@H]2C)c1 ZINC000719647565 712820173 /nfs/dbraw/zinc/82/01/73/712820173.db2.gz NMOMOLVPRBWYSG-AAEUAGOBSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1O ZINC000720976139 712884859 /nfs/dbraw/zinc/88/48/59/712884859.db2.gz DDHSKTPLTPNWFL-GMTAPVOTSA-N 1 0 221.300 1.814 20 10 BDCDRO COC(=O)CC(C)(C)[NH2+]Cc1ccc(N)cc1 ZINC001336116049 977513016 /nfs/dbraw/zinc/51/30/16/977513016.db2.gz ANZVJBNTQNRLOB-UHFFFAOYSA-N 1 0 236.315 1.700 20 10 BDCDRO Cc1cccc(C[N@H+](C)CC2COC2)c1O ZINC001231594216 977639803 /nfs/dbraw/zinc/63/98/03/977639803.db2.gz YLNSFHIRFDDHKR-UHFFFAOYSA-N 1 0 221.300 1.779 20 10 BDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1ccccc1O)C2 ZINC001235977268 979244895 /nfs/dbraw/zinc/24/48/95/979244895.db2.gz FYUAGQBMNBEJSQ-DGCLKSJQSA-N 1 0 218.300 1.315 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1cc(F)ccc1O ZINC001236868531 979772528 /nfs/dbraw/zinc/77/25/28/979772528.db2.gz LQAJQGQNRANKLL-NSHDSACASA-N 1 0 226.295 1.700 20 10 BDCDRO Cc1cc(F)cc(CN2CC[NH+](C)CC2)c1O ZINC001238055660 980132833 /nfs/dbraw/zinc/13/28/33/980132833.db2.gz BLSGTTAPHBIFID-UHFFFAOYSA-N 1 0 238.306 1.587 20 10 BDCDRO C[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CO1 ZINC000402183630 970769194 /nfs/dbraw/zinc/76/91/94/970769194.db2.gz BQCFVGZFAGROPQ-GZMMTYOYSA-N 1 0 225.263 1.798 20 10 BDCDRO COc1ccc(O)c(CN2CC[C@](C)([NH3+])C2)c1 ZINC000405906239 971318917 /nfs/dbraw/zinc/31/89/17/971318917.db2.gz VPCUIFNDBXVWKO-ZDUSSCGKSA-N 1 0 236.315 1.324 20 10 BDCDRO CCc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206075337 971473796 /nfs/dbraw/zinc/47/37/96/971473796.db2.gz GWZWDFYYONXIDQ-ZWNOBZJWSA-N 1 0 234.343 1.734 20 10 BDCDRO C[C@@H]1CC[C@H](OCc2ccc(N)cc2)C[NH2+]1 ZINC001217912679 971511503 /nfs/dbraw/zinc/51/15/03/971511503.db2.gz VGPVMTATZIMNHL-MFKMUULPSA-N 1 0 220.316 1.926 20 10 BDCDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(O)cc1O ZINC000092470723 958650311 /nfs/dbraw/zinc/65/03/11/958650311.db2.gz UVXWVXVMHMDCPS-SNVBAGLBSA-N 1 0 223.272 1.055 20 10 BDCDRO CO[C@@H](C)CC[NH2+]Cc1ccccc1O ZINC000263818868 959577628 /nfs/dbraw/zinc/57/76/28/959577628.db2.gz PJGXNKHUMSFKBR-JTQLQIEISA-N 1 0 209.289 1.907 20 10 BDCDRO Nc1ccc(C[N@@H+]2CCC[C@H](O)C2)cc1 ZINC000036798428 960530228 /nfs/dbraw/zinc/53/02/28/960530228.db2.gz SKMXFCWLTWDGCV-LBPRGKRZSA-N 1 0 206.289 1.226 20 10 BDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC001140742501 960544759 /nfs/dbraw/zinc/54/47/59/960544759.db2.gz PUYWQUYKIJJMCS-QPUJVOFHSA-N 1 0 237.299 1.219 20 10 BDCDRO CCOC(=O)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC001140951030 960763131 /nfs/dbraw/zinc/76/31/31/960763131.db2.gz VEXZYLMBMQMVTP-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO Oc1ccc(O)c(C[N@H+]2CCC[C@@H](O)C2)c1 ZINC001141156420 960890044 /nfs/dbraw/zinc/89/00/44/960890044.db2.gz XEPIYFLSEFKCRG-LLVKDONJSA-N 1 0 223.272 1.055 20 10 BDCDRO CCN(CC[NH+](C)C)Cc1cc(O)ccc1O ZINC001141156401 960890126 /nfs/dbraw/zinc/89/01/26/960890126.db2.gz WJYCWBVEDQGRRN-UHFFFAOYSA-N 1 0 238.331 1.481 20 10 BDCDRO C[N@H+](Cc1cc(O)ccc1O)C1CCOCC1 ZINC001141156030 960891360 /nfs/dbraw/zinc/89/13/60/960891360.db2.gz OOXOOPSPOCADIE-UHFFFAOYSA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1cccc2c1C[N@H+](Cc1cn[nH]c1)CC2 ZINC001203099830 960909538 /nfs/dbraw/zinc/90/95/38/960909538.db2.gz UQCNKQOIOXJVLU-UHFFFAOYSA-N 1 0 229.283 1.674 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCN(C)[C@H](C)C2)c1 ZINC000133886924 962700315 /nfs/dbraw/zinc/70/03/15/962700315.db2.gz OPYQWPJNJLHOBW-GFCCVEGCSA-N 1 0 234.343 1.837 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000383581201 963582433 /nfs/dbraw/zinc/58/24/33/963582433.db2.gz FLIXXCWEWWFSFX-WPRPVWTQSA-N 1 0 234.299 1.233 20 10 BDCDRO [NH3+]CC[C@@H](NCc1cccc(F)c1O)C(F)F ZINC000841074942 963672393 /nfs/dbraw/zinc/67/23/93/963672393.db2.gz SMVNTNFUERNBDU-SECBINFHSA-N 1 0 248.248 1.603 20 10 BDCDRO COc1cccc(N)c1N[C@H]1C[NH2+]CC[C@H]1F ZINC001168231296 964014221 /nfs/dbraw/zinc/01/42/21/964014221.db2.gz MLJNJHHMUPQPBO-SCZZXKLOSA-N 1 0 239.294 1.389 20 10 BDCDRO COc1cccc(C[NH2+]C(C)(C)[C@H](C)O)c1O ZINC000161142873 964878048 /nfs/dbraw/zinc/87/80/48/964878048.db2.gz JZZDZXXKSLVTGO-VIFPVBQESA-N 1 0 239.315 1.650 20 10 BDCDRO Nc1ccc(CNc2ncc3c(n2)C[NH2+]C3)cc1 ZINC001162785909 965168336 /nfs/dbraw/zinc/16/83/36/965168336.db2.gz ORRVYPWAIPKLEE-UHFFFAOYSA-N 1 0 241.298 1.274 20 10 BDCDRO Cc1c(O)ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001235159092 966012187 /nfs/dbraw/zinc/01/21/87/966012187.db2.gz QEVNTQULHFMRBG-SMDDNHRTSA-N 1 0 248.326 1.329 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1ccc(O)c(O)c1)C2 ZINC001235164764 966016602 /nfs/dbraw/zinc/01/66/02/966016602.db2.gz DEQBSBQXHLCBPZ-GXFFZTMASA-N 1 0 234.299 1.021 20 10 BDCDRO Nc1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235986468 966202017 /nfs/dbraw/zinc/20/20/17/966202017.db2.gz DWEULTAJFZETLV-YPMHNXCESA-N 1 0 217.316 1.192 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cccc(F)c1O)C2 ZINC001236016397 966226861 /nfs/dbraw/zinc/22/68/61/966226861.db2.gz CCCQQTFAMMNMSI-BXKDBHETSA-N 1 0 222.263 1.064 20 10 BDCDRO CC1(C[NH3+])CN(Cc2cccc(F)c2O)C1 ZINC001206718197 966402782 /nfs/dbraw/zinc/40/27/82/966402782.db2.gz LLESGTUJXTYPJK-UHFFFAOYSA-N 1 0 224.279 1.312 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1c(O)ccc(F)c1Cl ZINC001236907531 966614496 /nfs/dbraw/zinc/61/44/96/966614496.db2.gz AQAAOWCICCELST-ZETCQYMHSA-N 1 0 246.713 1.964 20 10 BDCDRO O=C1CC[N@H+](Cc2ccccc2O)CC[C@@H]1F ZINC001203550232 966672431 /nfs/dbraw/zinc/67/24/31/966672431.db2.gz NGVWDMFLUGYASB-NSHDSACASA-N 1 0 237.274 1.895 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1O ZINC001203549943 966678458 /nfs/dbraw/zinc/67/84/58/966678458.db2.gz DMYWUJBDVWFBFE-MFKMUULPSA-N 1 0 221.300 1.595 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@]1(C)O ZINC001203550088 966681657 /nfs/dbraw/zinc/68/16/57/966681657.db2.gz HFOCLSFMOCGTNS-RISCZKNCSA-N 1 0 235.327 1.985 20 10 BDCDRO C[NH+](C)C1CN(Cc2ccccc2O)C1 ZINC001203550153 966682081 /nfs/dbraw/zinc/68/20/81/966682081.db2.gz KGQITWIFUBYSBA-UHFFFAOYSA-N 1 0 206.289 1.138 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CC[C@@]1(C)O ZINC001203549925 966685691 /nfs/dbraw/zinc/68/56/91/966685691.db2.gz DASBWCQDWBAZNA-BXUZGUMPSA-N 1 0 235.327 1.985 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]2C)c1 ZINC001203669949 966734454 /nfs/dbraw/zinc/73/44/54/966734454.db2.gz IRTPWXZOFWSGNI-SECBINFHSA-N 1 0 207.273 1.995 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1 ZINC001203670723 966734826 /nfs/dbraw/zinc/73/48/26/966734826.db2.gz YCUCDSOWBQJGLU-TZMCWYRMSA-N 1 0 249.310 1.764 20 10 BDCDRO Oc1ccc(C[N@H+]2CCCC[C@H](O)C2)cc1O ZINC001203875837 966805208 /nfs/dbraw/zinc/80/52/08/966805208.db2.gz XBBKXRHHSGVRGR-NSHDSACASA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H](F)C2)c(O)c1 ZINC001204274751 966953756 /nfs/dbraw/zinc/95/37/56/966953756.db2.gz IJILJGZBRASORZ-SECBINFHSA-N 1 0 211.236 1.642 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3[C@H](F)C2)c(O)c1 ZINC001204277282 966958082 /nfs/dbraw/zinc/95/80/82/966958082.db2.gz XTJIICDBKLOEGN-ZMLRMANQSA-N 1 0 237.274 1.888 20 10 BDCDRO CN1CC[C@@H]([N@H+](C)Cc2ccc(O)cc2O)C1 ZINC001204278680 966961673 /nfs/dbraw/zinc/96/16/73/966961673.db2.gz IATHZTUFKAXFES-LLVKDONJSA-N 1 0 236.315 1.234 20 10 BDCDRO Cc1ccc(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204782253 967163278 /nfs/dbraw/zinc/16/32/78/967163278.db2.gz BHMZVGQQNGEEKF-CYBMUJFWSA-N 1 0 220.316 1.624 20 10 BDCDRO [NH3+][C@H]1CCC[N@H+](Cc2cccc(F)c2[O-])CC1 ZINC001205101375 967344527 /nfs/dbraw/zinc/34/45/27/967344527.db2.gz DJCNHACERQIRLG-NSHDSACASA-N 1 0 238.306 1.845 20 10 BDCDRO C[C@H]1CC[NH2+]CCN1Cc1ccc(N)cc1 ZINC001205331825 967547340 /nfs/dbraw/zinc/54/73/40/967547340.db2.gz JZNWVHOBYYJFDW-NSHDSACASA-N 1 0 219.332 1.453 20 10 BDCDRO C[C@@H]1CCN(Cc2ccc(N)cc2)C[C@@H]1[NH3+] ZINC001205880420 967871482 /nfs/dbraw/zinc/87/14/82/967871482.db2.gz FYLYTBNUMTVEAU-MFKMUULPSA-N 1 0 219.332 1.438 20 10 BDCDRO C[C@@H]1CN(Cc2c(O)cccc2F)C[C@H]1[NH3+] ZINC001206058907 968030445 /nfs/dbraw/zinc/03/04/45/968030445.db2.gz XWBHWZBKJYLGJB-LDYMZIIASA-N 1 0 224.279 1.310 20 10 BDCDRO C/C=C(\NC=[NH2+])NCc1ccc(O)c(O)c1 ZINC001169992788 969961414 /nfs/dbraw/zinc/96/14/14/969961414.db2.gz GBCKXHFXWDPXDV-FUQNDXKWSA-N 1 0 221.260 1.245 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c(O)c1 ZINC000402008149 970751960 /nfs/dbraw/zinc/75/19/60/970751960.db2.gz AHVRCDDEPMPJDJ-ONGXEEELSA-N 1 0 237.299 1.668 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CO[C@@H](C)C2)c1 ZINC000402034277 970757371 /nfs/dbraw/zinc/75/73/71/970757371.db2.gz CHRMXFAJHIHYHB-JQWIXIFHSA-N 1 0 221.300 1.968 20 10 BDCDRO C[N@H+](CCCCO)Cc1ccc(N)cc1 ZINC000043445810 973174229 /nfs/dbraw/zinc/17/42/29/973174229.db2.gz IGGWZHOWOKJVGG-UHFFFAOYSA-N 1 0 208.305 1.473 20 10 BDCDRO Oc1ccc(C[NH2+]C2C[C@@H]3C=C[C@H](C2)O3)cc1O ZINC001172232071 974473072 /nfs/dbraw/zinc/47/30/72/974473072.db2.gz DWFPZUPLFQWJJR-YOGCLGLASA-N 1 0 247.294 1.673 20 10 BDCDRO Oc1cccc(Nc2cc[nH+]cc2)c1O ZINC001173883169 975938903 /nfs/dbraw/zinc/93/89/03/975938903.db2.gz AYWJEVGVGBAJQL-UHFFFAOYSA-N 1 0 202.213 1.658 20 10 BDCDRO CC(=O)Nc1ccc(O)c(Nc2cc[nH+]cc2)c1 ZINC001173885074 975986600 /nfs/dbraw/zinc/98/66/00/975986600.db2.gz HRELBWLCFNWPAF-UHFFFAOYSA-N 1 0 243.266 1.911 20 10 BDCDRO C[C@@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001334350297 976462457 /nfs/dbraw/zinc/46/24/57/976462457.db2.gz RWHBKUYTKYUIOY-GFCCVEGCSA-N 1 0 243.253 1.627 20 10 BDCDRO C[C@@H]1[NH2+]CCN(Cc2ccc(N)cc2)[C@H]1C ZINC001334773976 976638380 /nfs/dbraw/zinc/63/83/80/976638380.db2.gz BVUPSTIZVQALEL-QWRGUYRKSA-N 1 0 219.332 1.451 20 10 BDCDRO Cc1c(C[NH2+]Cc2ccc(N)cc2)cnn1C ZINC001334775134 976640812 /nfs/dbraw/zinc/64/08/12/976640812.db2.gz SLRWVNYQGAOUAR-UHFFFAOYSA-N 1 0 230.315 1.601 20 10 BDCDRO Cc1c[nH+]ccc1Nc1cc(N)ccc1O ZINC001174540027 976833186 /nfs/dbraw/zinc/83/31/86/976833186.db2.gz RVQLQCVMQFUCMF-UHFFFAOYSA-N 1 0 215.256 1.843 20 10 BDCDRO COc1cc(C[N@@H+]2CC[C@@H]2C)c(O)cc1O ZINC001231635096 977651767 /nfs/dbraw/zinc/65/17/67/977651767.db2.gz VSZJWSGCCTZXSY-QMMMGPOBSA-N 1 0 223.272 1.701 20 10 BDCDRO COc1cc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)cc1O ZINC001231633159 977653916 /nfs/dbraw/zinc/65/39/16/977653916.db2.gz JTJPQMONPNAELO-DTORHVGOSA-N 1 0 235.283 1.558 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC001231846821 977765204 /nfs/dbraw/zinc/76/52/04/977765204.db2.gz QBSRTDWXLATVDR-LLVKDONJSA-N 1 0 248.326 1.316 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001232838489 978308571 /nfs/dbraw/zinc/30/85/71/978308571.db2.gz GOKLJQCVTYPDLR-STQMWFEESA-N 1 0 248.326 1.431 20 10 BDCDRO CC[N@H+](CCOC)Cc1cc(O)c(O)c(O)c1 ZINC001233011128 978412953 /nfs/dbraw/zinc/41/29/53/978412953.db2.gz ZKTZIJVCFHELSB-UHFFFAOYSA-N 1 0 241.287 1.272 20 10 BDCDRO [NH3+][C@@H]1C[C@H](F)CN(Cc2ccccc2O)C1 ZINC001206402224 978759757 /nfs/dbraw/zinc/75/97/57/978759757.db2.gz CJHVNACGBGYOSB-WDEREUQCSA-N 1 0 224.279 1.263 20 10 BDCDRO Cc1cccc(O)c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235049111 978963421 /nfs/dbraw/zinc/96/34/21/978963421.db2.gz RZEYMRVLDUIJGQ-QWHCGFSZSA-N 1 0 232.327 1.637 20 10 BDCDRO CN(C)c1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976297 979239254 /nfs/dbraw/zinc/23/92/54/979239254.db2.gz AQUPKDDHTXAGII-ZFWWWQNUSA-N 1 0 245.370 1.676 20 10 BDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1ccc(O)c(O)c1)C2 ZINC001235978730 979250224 /nfs/dbraw/zinc/25/02/24/979250224.db2.gz JZAZPASSBGNERX-GWCFXTLKSA-N 1 0 234.299 1.021 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(F)c(F)cc1O)C2 ZINC001236025793 979322928 /nfs/dbraw/zinc/32/29/28/979322928.db2.gz HRRGZZIAKFQRGU-PRHODGIISA-N 1 0 240.253 1.203 20 10 BDCDRO C[C@H]1C[C@@H]([NH3+])CN(Cc2ccc(N)cc2)C1 ZINC001236048100 979341479 /nfs/dbraw/zinc/34/14/79/979341479.db2.gz BQJXVEFYTUHEAU-GXFFZTMASA-N 1 0 219.332 1.438 20 10 BDCDRO OCCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001236073609 979363484 /nfs/dbraw/zinc/36/34/84/979363484.db2.gz VDRUCBYOCWFMME-UHFFFAOYSA-N 1 0 221.300 1.523 20 10 BDCDRO Cc1ccc(CN(C)C[C@@H]2CCC[NH2+]2)c(O)c1 ZINC001236119645 979397132 /nfs/dbraw/zinc/39/71/32/979397132.db2.gz MMOFQUAGJIOXAE-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO CCC[C@H]1CN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001236178046 979439809 /nfs/dbraw/zinc/43/98/09/979439809.db2.gz KATOPEZWLMFCOU-AWEZNQCLSA-N 1 0 233.359 1.843 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@@]1(C)CCC[NH2+]C1 ZINC001236206750 979448891 /nfs/dbraw/zinc/44/88/91/979448891.db2.gz LPEPZTCRFHSMFI-AWEZNQCLSA-N 1 0 233.359 1.843 20 10 BDCDRO [NH3+]C[C@H]1CCCN1Cc1ccc(Cl)cc1O ZINC001236245140 979467777 /nfs/dbraw/zinc/46/77/77/979467777.db2.gz JZLLYRITXZZMTL-LLVKDONJSA-N 1 0 240.734 1.969 20 10 BDCDRO Cc1cccc(CN2C[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC001236288549 979494119 /nfs/dbraw/zinc/49/41/19/979494119.db2.gz IFUNWUOCHNYZHR-RYUDHWBXSA-N 1 0 218.300 1.104 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC001236580011 979654941 /nfs/dbraw/zinc/65/49/41/979654941.db2.gz PPIMLVNYEMYVMM-VXGBXAGGSA-N 1 0 234.343 1.883 20 10 BDCDRO Cc1ccc(CN(C)C[C@H](C)[NH3+])c(O)c1 ZINC001236898951 979788099 /nfs/dbraw/zinc/78/80/99/979788099.db2.gz DCPXGTZPBANGDK-JTQLQIEISA-N 1 0 208.305 1.480 20 10 BDCDRO CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC001203562049 979793777 /nfs/dbraw/zinc/79/37/77/979793777.db2.gz CDXFCWRQEDFLOX-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO CC(C)c1ccc(C[NH+]2CC(C(N)=O)C2)c(O)c1 ZINC001237049413 979810203 /nfs/dbraw/zinc/81/02/03/979810203.db2.gz OIDXUPJZPADRPP-UHFFFAOYSA-N 1 0 248.326 1.433 20 10 BDCDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000152881529 979819013 /nfs/dbraw/zinc/81/90/13/979819013.db2.gz SNEPBVIONVSTPX-LBPRGKRZSA-N 1 0 234.299 1.103 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2CC[C@@H]2C1 ZINC001237495258 979910641 /nfs/dbraw/zinc/91/06/41/979910641.db2.gz NYGNFXJJOMISHL-GFCCVEGCSA-N 1 0 232.327 1.591 20 10 BDCDRO CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001343472466 980118927 /nfs/dbraw/zinc/11/89/27/980118927.db2.gz HQLBDCPCZMXPRG-CYBMUJFWSA-N 1 0 235.331 1.403 20 10 BDCDRO CCN(Cc1cnnn1C)Cc1ccccc1O ZINC001238165482 980197600 /nfs/dbraw/zinc/19/76/00/980197600.db2.gz HQUYOPRFBBZVLZ-UHFFFAOYSA-N 1 0 246.314 1.543 20 10 BDCDRO CCC(CC)(CO)[NH2+]Cc1ccc(N)cc1 ZINC001345159811 980569829 /nfs/dbraw/zinc/56/98/29/980569829.db2.gz MXVOUGTYILMKCI-UHFFFAOYSA-N 1 0 222.332 1.910 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001346208929 980785901 /nfs/dbraw/zinc/78/59/01/980785901.db2.gz CWRACYPZSKGRRD-GFCCVEGCSA-N 1 0 247.342 1.131 20 10 BDCDRO c1cc(N2CCOCC2)ccc1C1=CCC[NH2+]C1 ZINC001240659254 981570066 /nfs/dbraw/zinc/57/00/66/981570066.db2.gz OMISHBCTVAUAAH-UHFFFAOYSA-N 1 0 244.338 1.900 20 10 BDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@@H]2[NH2+][C@H]1CNOC1 ZINC001350958958 982137792 /nfs/dbraw/zinc/13/77/92/982137792.db2.gz WWBASPXVIQSLDM-DCAQKATOSA-N 1 0 248.326 1.742 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCCO1 ZINC001203875510 982557080 /nfs/dbraw/zinc/55/70/80/982557080.db2.gz OFESNGRCTPEIGB-JTQLQIEISA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)cc1O ZINC001203878564 982566045 /nfs/dbraw/zinc/56/60/45/982566045.db2.gz CPFADUMHWBKKPD-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO CN(C(=O)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2)c1ccc(N)cc1 ZINC001357946422 983807017 /nfs/dbraw/zinc/80/70/17/983807017.db2.gz XSSGLIZPLNJOIT-CYZMBNFOSA-N 1 0 245.326 1.372 20 10 BDCDRO COc1cccc(CN(C)CC(C)(C)[NH3+])c1O ZINC000692028291 985216570 /nfs/dbraw/zinc/21/65/70/985216570.db2.gz JHKUWTXDEPYPRX-UHFFFAOYSA-N 1 0 238.331 1.570 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC000718252281 985842851 /nfs/dbraw/zinc/84/28/51/985842851.db2.gz XXCNKCAQQGDMQR-BETUJISGSA-N 1 0 233.311 1.779 20 10 BDCDRO C[C@H]([NH2+]CC1=NOCC1)c1ccccc1O ZINC001460639396 985870554 /nfs/dbraw/zinc/87/05/54/985870554.db2.gz SCDYXUPGVVUKIZ-VIFPVBQESA-N 1 0 220.272 1.819 20 10 BDCDRO C[N@H+]1C[C@H]2C[C@@H](C1)N2Cc1c(O)cccc1F ZINC001276354489 986053320 /nfs/dbraw/zinc/05/33/20/986053320.db2.gz WPKGEVADLFQKRK-AOOOYVTPSA-N 1 0 236.290 1.420 20 10 BDCDRO NC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(N)cc2)C1 ZINC001580099273 986564098 /nfs/dbraw/zinc/56/40/98/986564098.db2.gz VEGQOTBVWGAUKR-CMPLNLGQSA-N 1 0 233.315 1.012 20 10 BDCDRO C[C@@H]1C[C@H](NCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246277519 987672297 /nfs/dbraw/zinc/67/22/97/987672297.db2.gz IFKCJOSMKCYPBX-MWLCHTKSSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2cccc(O)c2O)C[NH2+]1 ZINC001246314579 987718712 /nfs/dbraw/zinc/71/87/12/987718712.db2.gz HCZGINPPUWTMOA-GXSJLCMTSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@H]1CC[C@H](NCc2cccc(O)c2O)C[NH2+]1 ZINC001246314582 987720943 /nfs/dbraw/zinc/72/09/43/987720943.db2.gz HCZGINPPUWTMOA-ONGXEEELSA-N 1 0 236.315 1.328 20 10 BDCDRO Oc1cccc2c1CN([C@@H]1CCC[NH2+]C1)CC2 ZINC001246866733 988620815 /nfs/dbraw/zinc/62/08/15/988620815.db2.gz CSTWVFPXMRQRBP-GFCCVEGCSA-N 1 0 232.327 1.502 20 10 BDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2NC1C[NH2+]C1 ZINC001326034893 989331503 /nfs/dbraw/zinc/33/15/03/989331503.db2.gz BCZCJMCPWLMTPT-MWLCHTKSSA-N 1 0 232.327 1.810 20 10 BDCDRO Nc1ccc(CN[C@H](CC[NH3+])C(F)(F)F)cc1 ZINC001120269589 989624086 /nfs/dbraw/zinc/62/40/86/989624086.db2.gz UVHNFVYZINEDCA-SNVBAGLBSA-N 1 0 247.264 1.638 20 10 BDCDRO O=C(NCc1ccccc1O)C12CCC(CC1)[NH2+]2 ZINC001121952525 990154539 /nfs/dbraw/zinc/15/45/39/990154539.db2.gz WWWGPURMLMUIEB-UHFFFAOYSA-N 1 0 246.310 1.293 20 10 BDCDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC001122172277 990277636 /nfs/dbraw/zinc/27/76/36/990277636.db2.gz BLIHYHPTGDYKMA-MFKMUULPSA-N 1 0 249.358 1.995 20 10 BDCDRO C[C@H]1CN(Cc2ccc(N)cc2)[C@@H](C)C[NH2+]1 ZINC000223342604 990823890 /nfs/dbraw/zinc/82/38/90/990823890.db2.gz XDMVTEMFVWGPDO-QWRGUYRKSA-N 1 0 219.332 1.451 20 10 BDCDRO Cc1ccc(O)c(CN2CC(C)(C[NH3+])C2)c1 ZINC001206724009 990948571 /nfs/dbraw/zinc/94/85/71/990948571.db2.gz ZBIIMMQLLJBCHB-UHFFFAOYSA-N 1 0 220.316 1.481 20 10 BDCDRO CCN(CC)C(=O)C[N@H+](C)Cc1ccc(N)cc1 ZINC000035063927 990971438 /nfs/dbraw/zinc/97/14/38/990971438.db2.gz KBJLKEIQAYTXPP-UHFFFAOYSA-N 1 0 249.358 1.569 20 10 BDCDRO C[C@@H](CO)[N@H+](C)Cc1cc(F)c(F)cc1[O-] ZINC001308743399 991116011 /nfs/dbraw/zinc/11/60/11/991116011.db2.gz WDYLLNSVYOKOQQ-ZETCQYMHSA-N 1 0 231.242 1.483 20 10 BDCDRO CC1(C[NH3+])CN(Cc2c(O)ccc(F)c2F)C1 ZINC001206730747 991179491 /nfs/dbraw/zinc/17/94/91/991179491.db2.gz YDCHWYIPHBYSLI-UHFFFAOYSA-N 1 0 242.269 1.451 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001140058328 991507503 /nfs/dbraw/zinc/50/75/03/991507503.db2.gz WWOVZAHNKOIAON-ZYHUDNBSSA-N 1 0 243.253 1.436 20 10 BDCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140058216 991509230 /nfs/dbraw/zinc/50/92/30/991509230.db2.gz VGJLOJTYRUARTC-ZJUUUORDSA-N 1 0 239.290 1.734 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CCC(O)CC2)c1O ZINC001140179807 991552225 /nfs/dbraw/zinc/55/22/25/991552225.db2.gz ITOKFDYNBMHIFF-UHFFFAOYSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1C ZINC000266204935 178196720 /nfs/dbraw/zinc/19/67/20/178196720.db2.gz MHNXCSVKFLGXDH-GFCCVEGCSA-N 1 0 248.326 1.329 20 10 BDCDRO Cn1nccc1C[N@H+](C)Cc1ccccc1O ZINC000091974539 398304234 /nfs/dbraw/zinc/30/42/34/398304234.db2.gz IBZHODYFWNFSFW-UHFFFAOYSA-N 1 0 231.299 1.758 20 10 BDCDRO CC[C@H]([NH2+]CCN(C)C)c1ccccc1O ZINC000021962851 343031162 /nfs/dbraw/zinc/03/11/62/343031162.db2.gz IRKQVCLJRCIFPI-LBPRGKRZSA-N 1 0 222.332 1.995 20 10 BDCDRO C[C@H](CO)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037258355 343341667 /nfs/dbraw/zinc/34/16/67/343341667.db2.gz BWVNROJIOMNVKB-MNOVXSKESA-N 1 0 222.332 1.784 20 10 BDCDRO C[C@@H](CN1CCCC1=O)[NH2+]Cc1ccccc1O ZINC000037782333 343354910 /nfs/dbraw/zinc/35/49/10/343354910.db2.gz ZXBFRHASXCVETB-NSHDSACASA-N 1 0 248.326 1.493 20 10 BDCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000040429877 343402609 /nfs/dbraw/zinc/40/26/09/343402609.db2.gz KGQCVPRKMQGKOJ-ZDUSSCGKSA-N 1 0 247.342 1.121 20 10 BDCDRO CN(C)c1ccc(CNC(=O)C(C)(C)[NH3+])cc1 ZINC000040925127 343411484 /nfs/dbraw/zinc/41/14/84/343411484.db2.gz KSNFYRYQJYICKC-UHFFFAOYSA-N 1 0 235.331 1.106 20 10 BDCDRO OC[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2O)C1 ZINC000092763759 343784957 /nfs/dbraw/zinc/78/49/57/343784957.db2.gz MYWIBLWJLDNDLA-SECBINFHSA-N 1 0 241.718 1.860 20 10 BDCDRO Oc1ccc(Cl)cc1C[N@H+]1CC[C@@H](O)C1 ZINC000128082804 343787447 /nfs/dbraw/zinc/78/74/47/343787447.db2.gz WVHGSLIFJYTGIM-SNVBAGLBSA-N 1 0 227.691 1.612 20 10 BDCDRO CC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000128446206 345235758 /nfs/dbraw/zinc/23/57/58/345235758.db2.gz NIHQGOKRKFNXTA-LLVKDONJSA-N 1 0 209.289 1.595 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C)C2=O)c1O ZINC000271797276 179069508 /nfs/dbraw/zinc/06/95/08/179069508.db2.gz KFONHAUTTFENHS-GFCCVEGCSA-N 1 0 248.326 1.363 20 10 BDCDRO Cc1cccc(C[NH2+]C(C)(C)CO)c1O ZINC000083345893 179088117 /nfs/dbraw/zinc/08/81/17/179088117.db2.gz SNBYWSKGNCTACJ-UHFFFAOYSA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1cccc(C[NH2+]C2CCOCC2)c1O ZINC000162828417 179090425 /nfs/dbraw/zinc/09/04/25/179090425.db2.gz MJXOOGSDSFUGDG-UHFFFAOYSA-N 1 0 221.300 1.969 20 10 BDCDRO CC[C@@H](O)CC[NH2+]Cc1cccc(C)c1O ZINC000162707601 346535125 /nfs/dbraw/zinc/53/51/25/346535125.db2.gz OGZPYHXVMOFFQT-GFCCVEGCSA-N 1 0 223.316 1.951 20 10 BDCDRO COc1ccccc1N(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000637931445 351807833 /nfs/dbraw/zinc/80/78/33/351807833.db2.gz LPRCFAWPIWDLIR-NSHDSACASA-N 1 0 246.310 1.706 20 10 BDCDRO COc1ccc(C[NH2+]CCOCCO)cc1C ZINC000035052714 188284925 /nfs/dbraw/zinc/28/49/25/188284925.db2.gz NYEUBJXAUOKEGE-UHFFFAOYSA-N 1 0 239.315 1.102 20 10 BDCDRO OCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000082532866 188294760 /nfs/dbraw/zinc/29/47/60/188294760.db2.gz MHPBNWXOYOXNQB-UHFFFAOYSA-N 1 0 207.273 1.094 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](O)C2CC2)c1 ZINC000070955761 188305914 /nfs/dbraw/zinc/30/59/14/188305914.db2.gz LRJGPPAHFIMQHK-CYBMUJFWSA-N 1 0 221.300 1.561 20 10 BDCDRO COc1ccc(C[NH2+]CCc2nnc[nH]2)cc1C ZINC000080603137 188312404 /nfs/dbraw/zinc/31/24/04/188312404.db2.gz QQIOROQGOMYHFW-UHFFFAOYSA-N 1 0 246.314 1.454 20 10 BDCDRO CC(C)[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000169813693 188338998 /nfs/dbraw/zinc/33/89/98/188338998.db2.gz HEGCDNWMICIEJZ-JTQLQIEISA-N 1 0 207.277 1.191 20 10 BDCDRO CCc1nnc(C[NH2+][C@H](C)c2ccccc2O)[nH]1 ZINC000274564204 364757746 /nfs/dbraw/zinc/75/77/46/364757746.db2.gz CYMVXTPQDCPPBF-SECBINFHSA-N 1 0 246.314 1.924 20 10 BDCDRO OCC[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000179932511 183068792 /nfs/dbraw/zinc/06/87/92/183068792.db2.gz XMCSDVLBISKPAO-UHFFFAOYSA-N 1 0 225.263 1.488 20 10 BDCDRO OC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180026194 183153367 /nfs/dbraw/zinc/15/33/67/183153367.db2.gz HKOQCUSWJFARRP-VIFPVBQESA-N 1 0 225.263 1.346 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000226612937 183274893 /nfs/dbraw/zinc/27/48/93/183274893.db2.gz JEZSBSUPELOPSQ-JOYOIKCWSA-N 1 0 239.290 1.782 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000187985603 183275133 /nfs/dbraw/zinc/27/51/33/183275133.db2.gz OAXBFHIXOVXFMX-BXKDBHETSA-N 1 0 239.290 1.782 20 10 BDCDRO Oc1ccccc1C[N@H+]1CCC[C@H](O)CC1 ZINC000294231195 183301726 /nfs/dbraw/zinc/30/17/26/183301726.db2.gz ZHWQKDQCQYOXFT-LBPRGKRZSA-N 1 0 221.300 1.739 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000364506964 183302384 /nfs/dbraw/zinc/30/23/84/183302384.db2.gz HHSNOSAITZGYSQ-GFCCVEGCSA-N 1 0 244.298 1.431 20 10 BDCDRO Oc1ccccc1C[NH+]1CC([C@@H]2CCOC2)C1 ZINC000368443625 183302451 /nfs/dbraw/zinc/30/24/51/183302451.db2.gz UWLFLPNGCKLHQO-GFCCVEGCSA-N 1 0 233.311 1.861 20 10 BDCDRO CCC[NH+]1CCN(Cc2ccc(N)cc2)CC1 ZINC000019726897 169202764 /nfs/dbraw/zinc/20/27/64/169202764.db2.gz IROSHQYEWRDFEW-UHFFFAOYSA-N 1 0 233.359 1.796 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCN(C)C)c1 ZINC000035628437 383865460 /nfs/dbraw/zinc/86/54/60/383865460.db2.gz WDDLFKIAWSNAIV-LLVKDONJSA-N 1 0 222.332 1.913 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CCOCCO)c1 ZINC000035628944 383867317 /nfs/dbraw/zinc/86/73/17/383867317.db2.gz QKBYOPMNURIXRA-NSHDSACASA-N 1 0 239.315 1.360 20 10 BDCDRO CN(C)c1ccc(C[NH2+]Cc2cncn2C)cc1 ZINC000112339226 383917301 /nfs/dbraw/zinc/91/73/01/383917301.db2.gz UGKPHMFHJZLLDR-UHFFFAOYSA-N 1 0 244.342 1.776 20 10 BDCDRO C[C@@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000088195049 383886844 /nfs/dbraw/zinc/88/68/44/383886844.db2.gz NAGJLYSHLZJTTM-LLVKDONJSA-N 1 0 222.332 1.471 20 10 BDCDRO CC[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296224265 383978022 /nfs/dbraw/zinc/97/80/22/383978022.db2.gz ZXIAQPFFUPNMQR-GHMZBOCLSA-N 1 0 221.300 1.740 20 10 BDCDRO C[C@H]([NH2+]CCCO)c1ccc(N(C)C)cc1 ZINC000037236428 383962556 /nfs/dbraw/zinc/96/25/56/383962556.db2.gz VTLAZVNAWSMSSZ-NSHDSACASA-N 1 0 222.332 1.786 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[NH2+]1 ZINC000037823727 384025808 /nfs/dbraw/zinc/02/58/08/384025808.db2.gz SJRPNYJELHNESX-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO C[C@H]([NH2+]Cc1cnn(C)c1)c1ccccc1O ZINC000041158892 384181001 /nfs/dbraw/zinc/18/10/01/384181001.db2.gz JNNZPKUEDXYIRA-JTQLQIEISA-N 1 0 231.299 1.977 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000092764597 384194527 /nfs/dbraw/zinc/19/45/27/384194527.db2.gz VEQYQCRGMKYXLI-LLVKDONJSA-N 1 0 221.300 1.515 20 10 BDCDRO COC[C@H](C)[N@H+](C)Cc1cccc(OC)c1O ZINC000132679300 384244434 /nfs/dbraw/zinc/24/44/34/384244434.db2.gz WLKJJYKWRFEXJY-JTQLQIEISA-N 1 0 239.315 1.868 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)[C@H](C)CO ZINC000077422652 384408882 /nfs/dbraw/zinc/40/88/82/384408882.db2.gz MUEXDFKYASTNEH-VXGBXAGGSA-N 1 0 236.359 1.859 20 10 BDCDRO C[C@H](O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000078780793 384464656 /nfs/dbraw/zinc/46/46/56/384464656.db2.gz HFOMDRBSDDPXMV-QMMMGPOBSA-N 1 0 229.707 1.906 20 10 BDCDRO CCN(C)CC[NH2+]Cc1cccc(C)c1O ZINC000162833599 384692820 /nfs/dbraw/zinc/69/28/20/384692820.db2.gz WSCWQTCQVNHOJG-UHFFFAOYSA-N 1 0 222.332 1.742 20 10 BDCDRO CCOc1cccc(C[N@@H+]2CC[C@H](O)C2)c1O ZINC000271117748 384706211 /nfs/dbraw/zinc/70/62/11/384706211.db2.gz WTPPUTDCTZVLHR-NSHDSACASA-N 1 0 237.299 1.358 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)CC1OCCO1 ZINC000182652257 385691071 /nfs/dbraw/zinc/69/10/71/385691071.db2.gz VJWIFPMAMJFONX-UHFFFAOYSA-N 1 0 223.272 1.197 20 10 BDCDRO Nc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1 ZINC000294841444 385903859 /nfs/dbraw/zinc/90/38/59/385903859.db2.gz TZSFFVZCIIJRSR-UHFFFAOYSA-N 1 0 233.315 1.869 20 10 BDCDRO COC(=O)c1cnc(SCC[NH+](C)C)s1 ZINC000294925161 385918481 /nfs/dbraw/zinc/91/84/81/385918481.db2.gz CPVOVNIEJQWPBG-UHFFFAOYSA-N 1 0 246.357 1.583 20 10 BDCDRO Nc1ccc(NC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000294649135 385878565 /nfs/dbraw/zinc/87/85/65/385878565.db2.gz BSSGQRNEMDOTAL-NSHDSACASA-N 1 0 233.315 1.740 20 10 BDCDRO C[C@H](CCO)[NH2+]Cc1c(O)cccc1Cl ZINC000096811525 385987229 /nfs/dbraw/zinc/98/72/29/385987229.db2.gz XVGYUIATYKSJEB-MRVPVSSYSA-N 1 0 229.707 1.906 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c1 ZINC000235893709 386201617 /nfs/dbraw/zinc/20/16/17/386201617.db2.gz XBARFFRNRPTQRV-AWEZNQCLSA-N 1 0 248.326 1.398 20 10 BDCDRO C[C@@H](CO)[N@H+](C)Cc1c(O)cccc1Cl ZINC000289394797 386296582 /nfs/dbraw/zinc/29/65/82/386296582.db2.gz FNMMVDJSSVRNAC-QMMMGPOBSA-N 1 0 229.707 1.858 20 10 BDCDRO C[N@H+](Cc1cc(F)ccc1O)[C@H]1CCOC1 ZINC000226564578 386333306 /nfs/dbraw/zinc/33/33/06/386333306.db2.gz VPHLXGCGEAACSA-NSHDSACASA-N 1 0 225.263 1.752 20 10 BDCDRO C[C@@](O)(C[NH2+]Cc1ccccc1O)c1ccco1 ZINC000266141054 386403011 /nfs/dbraw/zinc/40/30/11/386403011.db2.gz HECCGBIFXHXCAW-CQSZACIVSA-N 1 0 247.294 1.983 20 10 BDCDRO CC[N@H+](C)Cc1ccc([N+](=O)[O-])c(OC)c1[O-] ZINC000278289206 386506929 /nfs/dbraw/zinc/50/69/29/386506929.db2.gz UTHJQZYISQDZLS-UHFFFAOYSA-N 1 0 240.259 1.761 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CCC[N@@H+]1C ZINC000299548731 386464355 /nfs/dbraw/zinc/46/43/55/386464355.db2.gz QFVFSXDECYYDOV-GFCCVEGCSA-N 1 0 248.326 1.445 20 10 BDCDRO COC[C@@H](C[NH2+][C@H](C)c1ccccc1O)OC ZINC000228808812 386620971 /nfs/dbraw/zinc/62/09/71/386620971.db2.gz ZYXUZJVKMBQSIH-GHMZBOCLSA-N 1 0 239.315 1.704 20 10 BDCDRO COC[C@@H](CCO)[NH2+][C@H](C)c1ccccc1O ZINC000228793928 386618368 /nfs/dbraw/zinc/61/83/68/386618368.db2.gz SPWVTWJNSOXVAH-GHMZBOCLSA-N 1 0 239.315 1.440 20 10 BDCDRO COC[C@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000279628660 386709558 /nfs/dbraw/zinc/70/95/58/386709558.db2.gz BOGGMAUCHGWPBU-LBPRGKRZSA-N 1 0 239.315 1.106 20 10 BDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCO)c(O)c1 ZINC000293916136 388393033 /nfs/dbraw/zinc/39/30/33/388393033.db2.gz XDVKWMQMQOXIMD-JTQLQIEISA-N 1 0 209.289 1.652 20 10 BDCDRO CC[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297357664 388429967 /nfs/dbraw/zinc/42/99/67/388429967.db2.gz PQBATQJHLFZQES-WDEREUQCSA-N 1 0 221.300 1.740 20 10 BDCDRO CC(C)[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000134696997 167455118 /nfs/dbraw/zinc/45/51/18/167455118.db2.gz SCLKRYBYMPTIPT-AWEZNQCLSA-N 1 0 236.359 1.859 20 10 BDCDRO CCOc1cccc(C[NH2+]CC(C)(C)O)c1O ZINC000096480959 170578053 /nfs/dbraw/zinc/57/80/53/170578053.db2.gz SZABLGAPVIMSCG-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC000036768910 171089237 /nfs/dbraw/zinc/08/92/37/171089237.db2.gz VZONBBVSMGMCRC-CYBMUJFWSA-N 1 0 220.316 1.880 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180425022 171185062 /nfs/dbraw/zinc/18/50/62/171185062.db2.gz STJAIKVZDFSFTA-GFCCVEGCSA-N 1 0 227.279 1.782 20 10 BDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000294779693 171683370 /nfs/dbraw/zinc/68/33/70/171683370.db2.gz NORSRMMZWXAUBG-VXGBXAGGSA-N 1 0 233.315 1.595 20 10 BDCDRO C[N@@H+]1CCC[C@H]1CNC(=O)Cc1ccc(N)cc1 ZINC000082284152 173053733 /nfs/dbraw/zinc/05/37/33/173053733.db2.gz QQGPYNYEPOLHHY-ZDUSSCGKSA-N 1 0 247.342 1.022 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000263780929 173194733 /nfs/dbraw/zinc/19/47/33/173194733.db2.gz VNBYKWOCJSYWBI-GFCCVEGCSA-N 1 0 247.342 1.073 20 10 BDCDRO CNC(=O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000272834235 173242398 /nfs/dbraw/zinc/24/23/98/173242398.db2.gz IPEZIIMXUHMJNN-JTQLQIEISA-N 1 0 236.315 1.569 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000094617866 173303413 /nfs/dbraw/zinc/30/34/13/173303413.db2.gz KXPHJGDPIXJZDD-SFYZADRCSA-N 1 0 240.278 1.316 20 10 BDCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000133594337 173307182 /nfs/dbraw/zinc/30/71/82/173307182.db2.gz ZLBSFRZYZLEGIK-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO COCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362849 174248493 /nfs/dbraw/zinc/24/84/93/174248493.db2.gz AMYWHUYYLWINFG-UHFFFAOYSA-N 1 0 221.300 1.748 20 10 BDCDRO COCC[NH+](CCOC)Cc1ccc(N)cc1 ZINC000036197501 174295873 /nfs/dbraw/zinc/29/58/73/174295873.db2.gz MTSGXSWIKOKTHF-UHFFFAOYSA-N 1 0 238.331 1.364 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)CCO)cc1C ZINC000096811712 175109130 /nfs/dbraw/zinc/10/91/30/175109130.db2.gz JZWQQYLOIBFNIM-NSHDSACASA-N 1 0 223.316 1.864 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CCC(O)CC2)c1 ZINC000179584959 175158139 /nfs/dbraw/zinc/15/81/39/175158139.db2.gz DBUGXRTUMCPSRP-UHFFFAOYSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@]2(C)CCOC2)c1 ZINC000164777430 175158553 /nfs/dbraw/zinc/15/85/53/175158553.db2.gz NPFLHJUTEDWAKO-CYBMUJFWSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCCO2)c1 ZINC000020092617 175159552 /nfs/dbraw/zinc/15/95/52/175159552.db2.gz FUXWXLZIMYGGHR-LBPRGKRZSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000086629168 175160030 /nfs/dbraw/zinc/16/00/30/175160030.db2.gz KKTRZHYDABDAFJ-UWVGGRQHSA-N 1 0 239.315 1.680 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](C)CO)c1 ZINC000086629176 175160476 /nfs/dbraw/zinc/16/04/76/175160476.db2.gz KKTRZHYDABDAFJ-NXEZZACHSA-N 1 0 239.315 1.680 20 10 BDCDRO COc1cccc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC000092455895 175259011 /nfs/dbraw/zinc/25/90/11/175259011.db2.gz RWDUPKONCZCITP-NSHDSACASA-N 1 0 237.299 1.358 20 10 BDCDRO COc1cccc(C[NH+]2CCSCC2)c1O ZINC000126214471 175260474 /nfs/dbraw/zinc/26/04/74/175260474.db2.gz PPGWPRFAKHBCMG-UHFFFAOYSA-N 1 0 239.340 1.950 20 10 BDCDRO COc1cccc(C[N@H+]2CC[C@H](OC)C2)c1O ZINC000234901862 175260666 /nfs/dbraw/zinc/26/06/66/175260666.db2.gz NOLGFFDUJIMXRJ-NSHDSACASA-N 1 0 237.299 1.622 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cc[nH]n2)c1O ZINC000041014160 175265452 /nfs/dbraw/zinc/26/54/52/175265452.db2.gz OGVKDAGKYNJMSX-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO COc1cccc(C[NH2+]Cc2ccn(C)n2)c1O ZINC000020352691 175265850 /nfs/dbraw/zinc/26/58/50/175265850.db2.gz QRNQPFMABUIEJR-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)CCO)c1cc(F)ccc1O ZINC000132546972 175683233 /nfs/dbraw/zinc/68/32/33/175683233.db2.gz AKKOQATZGVEWMQ-DTWKUNHWSA-N 1 0 227.279 1.953 20 10 BDCDRO C[C@@H]([NH2+]Cc1nccn1C)c1ccccc1O ZINC000071273074 175908628 /nfs/dbraw/zinc/90/86/28/175908628.db2.gz YYPMOROQHVKZLN-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OCO3)C1 ZINC000112011580 176174345 /nfs/dbraw/zinc/17/43/45/176174345.db2.gz WFGYCGFUFQWLMT-SECBINFHSA-N 1 0 235.283 1.963 20 10 BDCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180861516 177009965 /nfs/dbraw/zinc/00/99/65/177009965.db2.gz DWKXXHQEYMKAFM-VHSXEESVSA-N 1 0 239.290 1.734 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000132475224 177266333 /nfs/dbraw/zinc/26/63/33/177266333.db2.gz BYDJSZQDXJOBQO-JTQLQIEISA-N 1 0 207.273 1.613 20 10 BDCDRO c1cc(C[NH2+]CC23CC(C2)CO3)cc2c1OCC2 ZINC000527786478 323692876 /nfs/dbraw/zinc/69/28/76/323692876.db2.gz CYOPJCJEUOZCHN-UHFFFAOYSA-N 1 0 245.322 1.890 20 10 BDCDRO CCN(CC[NH3+])Cc1cc(C)ccc1O ZINC000300771255 582580179 /nfs/dbraw/zinc/58/01/79/582580179.db2.gz CUKQVPMIYQVSOR-UHFFFAOYSA-N 1 0 208.305 1.481 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1cc(C)ccc1O ZINC000853248807 588728837 /nfs/dbraw/zinc/72/88/37/588728837.db2.gz KFTWFVRKFDDYTF-JTQLQIEISA-N 1 0 208.305 1.398 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@H](C)c1ccc(F)cc1O ZINC000854231101 588781189 /nfs/dbraw/zinc/78/11/89/588781189.db2.gz DTCFXQOFXRBPGM-DTWKUNHWSA-N 1 0 226.295 1.790 20 10 BDCDRO C[C@@H]([NH3+])CNC(=O)N[C@@H](C)c1ccccc1O ZINC000892104128 582792505 /nfs/dbraw/zinc/79/25/05/582792505.db2.gz VZLQIPPKRYBARI-BDAKNGLRSA-N 1 0 237.303 1.100 20 10 BDCDRO Nc1ccc(NC(=O)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000856995205 588881799 /nfs/dbraw/zinc/88/17/99/588881799.db2.gz RKEGMXKWRNJJGP-LLVKDONJSA-N 1 0 247.342 1.987 20 10 BDCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(C)cc1O ZINC000877556243 583328688 /nfs/dbraw/zinc/32/86/88/583328688.db2.gz NGAJAOCJGOMDPC-LBPRGKRZSA-N 1 0 223.316 1.903 20 10 BDCDRO C[C@@H](CO)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894771228 583517012 /nfs/dbraw/zinc/51/70/12/583517012.db2.gz ZNFXQLOQFKEUMF-ZETCQYMHSA-N 1 0 231.242 1.483 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2COCO2)c(O)c1 ZINC000894888912 583547396 /nfs/dbraw/zinc/54/73/96/583547396.db2.gz MEKVLHSAPVZBLY-LLVKDONJSA-N 1 0 223.272 1.163 20 10 BDCDRO CC1=NO[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000895310004 583646412 /nfs/dbraw/zinc/64/64/12/583646412.db2.gz FDXZSEWRDJIILM-CYBMUJFWSA-N 1 0 246.310 1.876 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2ccn(C)n2)c1 ZINC000213179911 583649960 /nfs/dbraw/zinc/64/99/60/583649960.db2.gz LSOGRFUPJVPSNA-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO COCC1C[NH+](Cc2cccc(OC)c2O)C1 ZINC000895970626 583756312 /nfs/dbraw/zinc/75/63/12/583756312.db2.gz GEBRVAVEAMSBAD-UHFFFAOYSA-N 1 0 237.299 1.479 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000897851092 584054426 /nfs/dbraw/zinc/05/44/26/584054426.db2.gz OVRYEXGNFWXIRE-JRZRUSQNSA-N 1 0 249.310 1.404 20 10 BDCDRO O[C@H](CC[NH2+]Cc1ccc2c(c1)CCO2)C1CC1 ZINC000898206082 584091645 /nfs/dbraw/zinc/09/16/45/584091645.db2.gz LJUCQNQXKSAGMS-CQSZACIVSA-N 1 0 247.338 1.872 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@H](F)C2)c1O ZINC000898187313 584093897 /nfs/dbraw/zinc/09/38/97/584093897.db2.gz JIEZVDVICFGOMV-VXGBXAGGSA-N 1 0 239.290 1.605 20 10 BDCDRO CN(C)c1ccc(CNC[C@H]([NH3+])C2CC2)cc1 ZINC000841049571 584124291 /nfs/dbraw/zinc/12/42/91/584124291.db2.gz LIJNFGOMCYIUEA-AWEZNQCLSA-N 1 0 233.359 1.580 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](C(N)=O)C2)c(O)c1 ZINC000858494652 588960589 /nfs/dbraw/zinc/96/05/89/588960589.db2.gz MBNFLZPEEPBSGG-GMTAPVOTSA-N 1 0 248.326 1.615 20 10 BDCDRO C[C@H](NCC1([NH3+])CC1)c1ccc(N(C)C)cc1 ZINC000902417546 584591040 /nfs/dbraw/zinc/59/10/40/584591040.db2.gz SOSLMENBZHGGKN-NSHDSACASA-N 1 0 233.359 1.895 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCON)c1 ZINC000902425338 584593963 /nfs/dbraw/zinc/59/39/63/584593963.db2.gz MGXVNHUYUWRIJP-SNVBAGLBSA-N 1 0 224.304 1.632 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1N[C@H]1CCc2cccc(O)c21 ZINC000902446223 584594440 /nfs/dbraw/zinc/59/44/40/584594440.db2.gz SSAZZMAUXADVQM-AAEUAGOBSA-N 1 0 246.354 1.967 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000841076145 584741133 /nfs/dbraw/zinc/74/11/33/584741133.db2.gz ASDWYSWNJYHMOZ-YUMQZZPRSA-N 1 0 212.268 1.357 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CNOC1 ZINC000904427250 584881734 /nfs/dbraw/zinc/88/17/34/584881734.db2.gz TWRLZGDACZGZJF-VIFPVBQESA-N 1 0 228.679 1.039 20 10 BDCDRO Cc1ccc(C[NH2+]CCN2CCCC2)c(O)c1 ZINC000877141569 584890968 /nfs/dbraw/zinc/89/09/68/584890968.db2.gz ABXAGEVGFNJNGR-UHFFFAOYSA-N 1 0 234.343 1.886 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)[C@H](C)O1 ZINC000817956797 584991551 /nfs/dbraw/zinc/99/15/51/584991551.db2.gz DBVJPFMIXBEELH-UHIISALHSA-N 1 0 234.343 1.967 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)[C@@H](C)O1 ZINC000817956795 584991662 /nfs/dbraw/zinc/99/16/62/584991662.db2.gz DBVJPFMIXBEELH-JTNHKYCSSA-N 1 0 234.343 1.967 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCN1CCC1 ZINC000752106988 585242491 /nfs/dbraw/zinc/24/24/91/585242491.db2.gz NCTYDBDCNJUGDF-UHFFFAOYSA-N 1 0 236.315 1.196 20 10 BDCDRO C[C@H]1[C@H](C)[N@H+](Cc2ccccc2O)CCN1C ZINC000775985864 585688354 /nfs/dbraw/zinc/68/83/54/585688354.db2.gz PGZKXTOGCMQLMF-RYUDHWBXSA-N 1 0 234.343 1.917 20 10 BDCDRO CC(C)N1CCN(Cc2ccccc2O)CC1=O ZINC000780793630 585784938 /nfs/dbraw/zinc/78/49/38/585784938.db2.gz UKEKFIBFAGHYJC-UHFFFAOYSA-N 1 0 248.326 1.445 20 10 BDCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000783745336 585841682 /nfs/dbraw/zinc/84/16/82/585841682.db2.gz VTEDGKPWYDRFPN-YPMHNXCESA-N 1 0 219.284 1.206 20 10 BDCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1O ZINC000788268581 585920234 /nfs/dbraw/zinc/92/02/34/585920234.db2.gz GKHCDJNANZDBNI-GXSJLCMTSA-N 1 0 207.273 1.347 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1 ZINC000788270954 585920755 /nfs/dbraw/zinc/92/07/55/585920755.db2.gz XPABBELVVIWMFU-KOLCDFICSA-N 1 0 237.299 1.356 20 10 BDCDRO Oc1cccc2c1[C@H](NCC[NH2+]C1CC1)CC2 ZINC000817952558 586847766 /nfs/dbraw/zinc/84/77/66/586847766.db2.gz FVXXUNYWHXQZHR-GFCCVEGCSA-N 1 0 232.327 1.721 20 10 BDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1cnn(C)c1 ZINC000817955788 586849795 /nfs/dbraw/zinc/84/97/95/586849795.db2.gz HTLPIPUEQIHXPE-LLVKDONJSA-N 1 0 244.342 1.896 20 10 BDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ccnn1C ZINC000817956820 586850451 /nfs/dbraw/zinc/85/04/51/586850451.db2.gz DNEULFXMYJIDND-LLVKDONJSA-N 1 0 244.342 1.896 20 10 BDCDRO CO[C@@H](C)[C@H](C)[NH2+]CCc1ccc(N)cc1 ZINC000817956322 586850519 /nfs/dbraw/zinc/85/05/19/586850519.db2.gz WJAPVKXGDPGUNU-QWRGUYRKSA-N 1 0 222.332 1.824 20 10 BDCDRO C[C@@H](C[NH3+])N[C@@H](C)c1cc(F)ccc1O ZINC000817970050 586853074 /nfs/dbraw/zinc/85/30/74/586853074.db2.gz KHDXHVNKKFDADO-YUMQZZPRSA-N 1 0 212.268 1.529 20 10 BDCDRO C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817962953 586853089 /nfs/dbraw/zinc/85/30/89/586853089.db2.gz PSQFSFXASMLSHY-IUCAKERBSA-N 1 0 226.295 1.777 20 10 BDCDRO [NH3+]CC1(CC(=O)NCc2ccccc2O)CC1 ZINC000817997190 586863401 /nfs/dbraw/zinc/86/34/01/586863401.db2.gz VEQFIVQTXLKPHF-UHFFFAOYSA-N 1 0 234.299 1.137 20 10 BDCDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccccc2O)C1 ZINC000821055101 587091181 /nfs/dbraw/zinc/09/11/81/587091181.db2.gz HCIFDYAKWOYTAD-NSHDSACASA-N 1 0 248.326 1.350 20 10 BDCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000825104236 587304397 /nfs/dbraw/zinc/30/43/97/587304397.db2.gz RPYLZZLAVDKAQX-BXUZGUMPSA-N 1 0 234.343 1.708 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)cc1C ZINC000827292939 587375869 /nfs/dbraw/zinc/37/58/69/587375869.db2.gz UMMOYNFDPSLXEM-DZGCQCFKSA-N 1 0 247.338 1.966 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC(=O)N(C)CC2)c1O ZINC000827360047 587378265 /nfs/dbraw/zinc/37/82/65/587378265.db2.gz ZWTKJXWUDBSTLK-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO C[C@H](CCC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000834812999 587767474 /nfs/dbraw/zinc/76/74/74/587767474.db2.gz BEOONRPPKKSLIP-SNVBAGLBSA-N 1 0 235.331 1.055 20 10 BDCDRO C[C@@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835043840 587779308 /nfs/dbraw/zinc/77/93/08/587779308.db2.gz UDEPFRLSWMRNEY-RXNFCKPNSA-N 1 0 234.343 1.736 20 10 BDCDRO C[C@@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034347 587779347 /nfs/dbraw/zinc/77/93/47/587779347.db2.gz ULHSHULDTPLUJI-QMAVJUDZSA-N 1 0 234.343 1.736 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCC(N)=O ZINC000840938313 587930711 /nfs/dbraw/zinc/93/07/11/587930711.db2.gz BJDXLZBCCBEDGG-UHFFFAOYSA-N 1 0 235.331 1.026 20 10 BDCDRO COC1CN(Cc2ccc(N(C)C)cc2C)C1 ZINC000840953722 587931915 /nfs/dbraw/zinc/93/19/15/587931915.db2.gz XFXLIHOOVNMROV-UHFFFAOYSA-N 1 0 234.343 1.892 20 10 BDCDRO C[C@H](Cn1cccn1)[NH2+]CCc1ccc(N)cc1 ZINC000841033844 587936877 /nfs/dbraw/zinc/93/68/77/587936877.db2.gz BXOBHBASLRUZHH-GFCCVEGCSA-N 1 0 244.342 1.686 20 10 BDCDRO Cc1cccc(CNC[C@@H]2CCCC[NH2+]2)c1O ZINC000841033623 587937320 /nfs/dbraw/zinc/93/73/20/587937320.db2.gz YCLKGVALSPZMEM-ZDUSSCGKSA-N 1 0 234.343 1.932 20 10 BDCDRO C[NH2+]CCC[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841041413 587938642 /nfs/dbraw/zinc/93/86/42/587938642.db2.gz FMQLNHXKMRMODD-UHFFFAOYSA-N 1 0 246.713 1.884 20 10 BDCDRO [NH3+][C@H](C[NH2+]Cc1cccc(F)c1[O-])C1CC1 ZINC000841048557 587939120 /nfs/dbraw/zinc/93/91/20/587939120.db2.gz FDFREPAAMTYVFJ-LLVKDONJSA-N 1 0 224.279 1.358 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1c(O)cccc1OC ZINC000841069645 587942342 /nfs/dbraw/zinc/94/23/42/587942342.db2.gz CBXCTDQPXGGQRP-SECBINFHSA-N 1 0 224.304 1.228 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1ccc(N(C)C)c(F)c1 ZINC000841071349 587942824 /nfs/dbraw/zinc/94/28/24/587942824.db2.gz DQAJPUUGUIWSIY-LLVKDONJSA-N 1 0 239.338 1.719 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@@H](C)C[NH3+] ZINC000841066911 587942956 /nfs/dbraw/zinc/94/29/56/587942956.db2.gz RIHTWBCWANFFEH-NSHDSACASA-N 1 0 221.348 1.498 20 10 BDCDRO C[C@H](CCC[NH3+])[NH2+]Cc1cccc(F)c1[O-] ZINC000841081252 587944537 /nfs/dbraw/zinc/94/45/37/587944537.db2.gz RXTFYWRIODOXQX-SECBINFHSA-N 1 0 226.295 1.748 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H]1C[C@H](F)CN1 ZINC000841077574 587944593 /nfs/dbraw/zinc/94/45/93/587944593.db2.gz BUPQASIIFIKBSG-QWRGUYRKSA-N 1 0 224.279 1.182 20 10 BDCDRO Cc1cccc(CN2CC[NH2+]CC2(C)C)c1O ZINC000843054469 588076537 /nfs/dbraw/zinc/07/65/37/588076537.db2.gz MWZIYWALSHKTLV-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1cccc(CN2[C@H](C)C[NH2+]C[C@@H]2C)c1O ZINC000843065708 588078380 /nfs/dbraw/zinc/07/83/80/588078380.db2.gz OZWBUVPMECZALX-TXEJJXNPSA-N 1 0 234.343 1.883 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000843120255 588083363 /nfs/dbraw/zinc/08/33/63/588083363.db2.gz BGLJNWBPOCHEAO-IUODEOHRSA-N 1 0 247.386 1.840 20 10 BDCDRO Cc1cccc(CN2C[C@@H](C)[NH2+]C[C@H]2C)c1O ZINC000843120114 588083701 /nfs/dbraw/zinc/08/37/01/588083701.db2.gz XVAXHMUNUWWCIZ-VXGBXAGGSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@H]1C[NH2+]C[C@@H](NCCc2ccc(N)cc2)C1 ZINC000843127147 588084880 /nfs/dbraw/zinc/08/48/80/588084880.db2.gz ZRQPHGCBKYBMQS-RISCZKNCSA-N 1 0 233.359 1.399 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@H](C)CCO)c1O ZINC000846112716 588257312 /nfs/dbraw/zinc/25/73/12/588257312.db2.gz WXJIXOCLGKJAJL-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]CC[C@H](C)O)c1O ZINC000846147948 588258727 /nfs/dbraw/zinc/25/87/27/588258727.db2.gz WFSPZEKLITUWHP-UWVGGRQHSA-N 1 0 239.315 1.822 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000846661763 588281344 /nfs/dbraw/zinc/28/13/44/588281344.db2.gz GDPWTPNRDGVVSB-OLZOCXBDSA-N 1 0 245.326 1.738 20 10 BDCDRO Nc1ccc(NC(=O)CC[NH2+]C2CC2)cc1 ZINC000848392889 588375941 /nfs/dbraw/zinc/37/59/41/588375941.db2.gz JLZUMKWOMXQVIL-UHFFFAOYSA-N 1 0 219.288 1.349 20 10 BDCDRO Nc1ccc(N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000848715187 588407947 /nfs/dbraw/zinc/40/79/47/588407947.db2.gz PSWZBZUJYRCSDI-PWSUYJOCSA-N 1 0 205.305 1.951 20 10 BDCDRO CCc1cccc(C[N@H+](C)CCO)c1O ZINC000848876766 588416062 /nfs/dbraw/zinc/41/60/62/588416062.db2.gz MFJHNEYNNBIYKP-UHFFFAOYSA-N 1 0 209.289 1.379 20 10 BDCDRO CCc1cccc(C[N@H+](C)CCCO)c1O ZINC000848909627 588419452 /nfs/dbraw/zinc/41/94/52/588419452.db2.gz YGEPYFPFKVCSNN-UHFFFAOYSA-N 1 0 223.316 1.769 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H]2CC[C@H]2O)c1O ZINC000848917977 588421102 /nfs/dbraw/zinc/42/11/02/588421102.db2.gz LYJGJLREVIHBEF-VXGBXAGGSA-N 1 0 221.300 1.568 20 10 BDCDRO CN(Cc1cccc(F)c1O)CC(C)(C)[NH3+] ZINC000849350232 588474957 /nfs/dbraw/zinc/47/49/57/588474957.db2.gz MKRGAPKHQRATNB-UHFFFAOYSA-N 1 0 226.295 1.700 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C/C=C\CO)c(Cl)c1 ZINC000850357594 588538859 /nfs/dbraw/zinc/53/88/59/588538859.db2.gz OURBYOISLGAUGO-IHWYPQMZSA-N 1 0 241.718 1.992 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579087 588561834 /nfs/dbraw/zinc/56/18/34/588561834.db2.gz SMCBTWJNNKXQTI-DCAQKATOSA-N 1 0 221.300 1.875 20 10 BDCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1cccnc1 ZINC000852868425 588709448 /nfs/dbraw/zinc/70/94/48/588709448.db2.gz FBUXNNIWKZCPEN-UHFFFAOYSA-N 1 0 231.299 1.354 20 10 BDCDRO COc1ccc(O)c(CN2CC3(C2)CCCO3)c1 ZINC000862484354 589217083 /nfs/dbraw/zinc/21/70/83/589217083.db2.gz LLSITYATXJEJRL-UHFFFAOYSA-N 1 0 249.310 1.766 20 10 BDCDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc(N(C)C)cc1 ZINC000864450602 589364270 /nfs/dbraw/zinc/36/42/70/589364270.db2.gz RFFORTBKPRJUPR-GXFFZTMASA-N 1 0 246.358 1.775 20 10 BDCDRO Nc1ccc(-n2cc(C[C@H]3CC[NH2+]C3)nn2)cc1 ZINC000864619413 589383944 /nfs/dbraw/zinc/38/39/44/589383944.db2.gz DWYKCKGLHWFMKV-SNVBAGLBSA-N 1 0 243.314 1.002 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000865691542 589456360 /nfs/dbraw/zinc/45/63/60/589456360.db2.gz BPDYSAVFDPYIFS-JVSQWTDWSA-N 1 0 245.322 1.905 20 10 BDCDRO C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000870988675 589706647 /nfs/dbraw/zinc/70/66/47/589706647.db2.gz WNXNPEQXXGGETJ-MNOVXSKESA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccccc1O ZINC000870988543 589706863 /nfs/dbraw/zinc/70/68/63/589706863.db2.gz SCYPGYZZEJNXNI-JOYOIKCWSA-N 1 0 248.326 1.697 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988337 589707009 /nfs/dbraw/zinc/70/70/09/589707009.db2.gz MTFFTBCUXMCUJH-BBBLOLIVSA-N 1 0 236.315 1.553 20 10 BDCDRO CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988701 589708070 /nfs/dbraw/zinc/70/80/70/589708070.db2.gz XHBZIQBCUZBUSZ-ONGXEEELSA-N 1 0 236.315 1.567 20 10 BDCDRO Oc1ccccc1CN[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873229691 590002421 /nfs/dbraw/zinc/00/24/21/590002421.db2.gz DVJZGEWFALIQDO-KGLIPLIRSA-N 1 0 232.327 1.766 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000873259037 590012845 /nfs/dbraw/zinc/01/28/45/590012845.db2.gz XVIWMGVYNDIWFG-FXPVBKGRSA-N 1 0 238.306 1.919 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000876504807 590203949 /nfs/dbraw/zinc/20/39/49/590203949.db2.gz XLPBPEURYGUBKA-WDEREUQCSA-N 1 0 233.315 1.581 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876504048 590204082 /nfs/dbraw/zinc/20/40/82/590204082.db2.gz ILRAFXKDDUKUPA-KCJUWKMLSA-N 1 0 237.278 1.155 20 10 BDCDRO Cc1ccc(C[NH+]2CCC(O)CC2)c(O)c1 ZINC000876541039 590212354 /nfs/dbraw/zinc/21/23/54/590212354.db2.gz RPBJVXFZXKMCJX-UHFFFAOYSA-N 1 0 221.300 1.657 20 10 BDCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876619904 590223123 /nfs/dbraw/zinc/22/31/23/590223123.db2.gz FNLHZRPXDJMPEF-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[N@H+](CCO)CC2CC2)c(O)c1 ZINC000876640124 590225288 /nfs/dbraw/zinc/22/52/88/590225288.db2.gz ZFMIMKZMORJTBG-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCOC2)c(O)c1 ZINC000876689980 590231034 /nfs/dbraw/zinc/23/10/34/590231034.db2.gz CZRLMTGEYSEJNF-LBPRGKRZSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCn1cccn1 ZINC000876959893 590261562 /nfs/dbraw/zinc/26/15/62/590261562.db2.gz QKWGVINQIVPECC-UHFFFAOYSA-N 1 0 231.299 1.687 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CCCOC2)c(O)c1 ZINC000877007893 590268787 /nfs/dbraw/zinc/26/87/87/590268787.db2.gz HSEKWUOPSDDBIK-GFCCVEGCSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1ccc(C[NH2+]CC(C)(C)O)c(O)c1 ZINC000877041792 590273392 /nfs/dbraw/zinc/27/33/92/590273392.db2.gz OHPXMGCAKSMTFF-UHFFFAOYSA-N 1 0 209.289 1.561 20 10 BDCDRO CC[C@H](C(=O)N(C)c1ccc(N)cc1)[NH+](C)C ZINC000877074783 590278182 /nfs/dbraw/zinc/27/81/82/590278182.db2.gz SGZGGMVSSCYVGI-GFCCVEGCSA-N 1 0 235.331 1.572 20 10 BDCDRO CN(C(=O)[C@H]1CC[C@H]([NH3+])CC1)c1ccc(N)cc1 ZINC000877074771 590278261 /nfs/dbraw/zinc/27/82/61/590278261.db2.gz SERKMFQFDYTYRQ-XYPYZODXSA-N 1 0 247.342 1.749 20 10 BDCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(N)cc1 ZINC000877074204 590278353 /nfs/dbraw/zinc/27/83/53/590278353.db2.gz BXLIBDTXELMHPU-NSHDSACASA-N 1 0 231.299 1.279 20 10 BDCDRO CN(C(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(N)cc1 ZINC000877077049 590278676 /nfs/dbraw/zinc/27/86/76/590278676.db2.gz UYPHPKZAUVDJCY-ZDUSSCGKSA-N 1 0 247.342 1.716 20 10 BDCDRO CN(C(=O)C1([NH3+])CCC1)c1ccc(N)cc1 ZINC000877077570 590279223 /nfs/dbraw/zinc/27/92/23/590279223.db2.gz NGHQXNZUMISGRX-UHFFFAOYSA-N 1 0 219.288 1.113 20 10 BDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877077997 590279309 /nfs/dbraw/zinc/27/93/09/590279309.db2.gz YMBCGDRHKCAELM-SKDRFNHKSA-N 1 0 235.331 1.605 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCOC1 ZINC000877112700 590287202 /nfs/dbraw/zinc/28/72/02/590287202.db2.gz TXIZFJGHWFZKQK-SNVBAGLBSA-N 1 0 207.273 1.579 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CCOC2)c(O)c1 ZINC000877113015 590287466 /nfs/dbraw/zinc/28/74/66/590287466.db2.gz XXDWDGNXMUHVKK-LLVKDONJSA-N 1 0 207.273 1.579 20 10 BDCDRO Oc1ccccc1C[NH2+]CCCn1ccnn1 ZINC000126411481 590301596 /nfs/dbraw/zinc/30/15/96/590301596.db2.gz DIJPDTJLVFBRDR-UHFFFAOYSA-N 1 0 232.287 1.164 20 10 BDCDRO C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1O ZINC000877256478 590304408 /nfs/dbraw/zinc/30/44/08/590304408.db2.gz XBZGFSSKKGBOBG-KOLCDFICSA-N 1 0 246.310 1.617 20 10 BDCDRO Cc1ccc(C[NH2+]CCc2ccnn2C)c(O)c1 ZINC000877363759 590318979 /nfs/dbraw/zinc/31/89/79/590318979.db2.gz SFXPLSISTPDUSR-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](O)C2)c(O)c1 ZINC000877468610 590333678 /nfs/dbraw/zinc/33/36/78/590333678.db2.gz KXUIHLHFVQWGLU-YPMHNXCESA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](O)C2)c(O)c1 ZINC000877468608 590333872 /nfs/dbraw/zinc/33/38/72/590333872.db2.gz KXUIHLHFVQWGLU-DGCLKSJQSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c(O)c1 ZINC000877486865 590338914 /nfs/dbraw/zinc/33/89/14/590338914.db2.gz SJFSGBFRSLZZJH-ZDUSSCGKSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@](F)(CO)C1 ZINC000877505019 590343308 /nfs/dbraw/zinc/34/33/08/590343308.db2.gz WONZMQHLNZWZFK-CYBMUJFWSA-N 1 0 239.290 1.607 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@H](O)C1CC1 ZINC000877526503 590348309 /nfs/dbraw/zinc/34/83/09/590348309.db2.gz SAZGLVUEWSUZTL-CYBMUJFWSA-N 1 0 221.300 1.561 20 10 BDCDRO Cc1ccc(C[N@H+]2CCNC(=O)C[C@H]2C)c(O)c1 ZINC000877532957 590350390 /nfs/dbraw/zinc/35/03/90/590350390.db2.gz XRMMGXKMOHVEOX-LLVKDONJSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[NH2+]CCc2cn[nH]c2)c(O)c1 ZINC000877538602 590351172 /nfs/dbraw/zinc/35/11/72/590351172.db2.gz FLOBFSUNGPBNDA-UHFFFAOYSA-N 1 0 231.299 1.756 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000877574092 590363023 /nfs/dbraw/zinc/36/30/23/590363023.db2.gz AOEFLXAKRLDVDT-AOOOYVTPSA-N 1 0 207.273 1.314 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000877574794 590363384 /nfs/dbraw/zinc/36/33/84/590363384.db2.gz VUOBQGSNYFZIQZ-CMPLNLGQSA-N 1 0 248.326 1.444 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccc(C)cc1O)C(=O)NC ZINC000877575809 590363514 /nfs/dbraw/zinc/36/35/14/590363514.db2.gz FFHVEPUOXSMVCN-LLVKDONJSA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c(O)c1 ZINC000877578106 590363980 /nfs/dbraw/zinc/36/39/80/590363980.db2.gz UZEUDJGCTVFPCX-AWEZNQCLSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(C)CCC(=O)N1 ZINC000877578059 590364013 /nfs/dbraw/zinc/36/40/13/590364013.db2.gz SFVXDHVIUVICQL-CQSZACIVSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(C(C)(C)O)C1 ZINC000877580490 590364983 /nfs/dbraw/zinc/36/49/83/590364983.db2.gz DQFKUXSQAFAZTB-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000877594945 590370156 /nfs/dbraw/zinc/37/01/56/590370156.db2.gz NHORIXABKCUYAG-CYBMUJFWSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)C2(CO)CC2)c(O)c1 ZINC000877624192 590376830 /nfs/dbraw/zinc/37/68/30/590376830.db2.gz AGASRLYNDGJSJM-LLVKDONJSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(CN(C)Cc2cn(C)nn2)c(O)c1 ZINC000877630657 590377546 /nfs/dbraw/zinc/37/75/46/590377546.db2.gz IGVMTGVPSSZOCB-UHFFFAOYSA-N 1 0 246.314 1.461 20 10 BDCDRO COC(=O)C1CC([NH2+]Cc2c(C)cccc2O)C1 ZINC000877722475 590402014 /nfs/dbraw/zinc/40/20/14/590402014.db2.gz VPOOJKYHODNENB-UHFFFAOYSA-N 1 0 249.310 1.742 20 10 BDCDRO Oc1cccc(Cl)c1CN1CCC[NH2+]CC1 ZINC000128315255 590977574 /nfs/dbraw/zinc/97/75/74/590977574.db2.gz MGAQBSRRQLTCDI-UHFFFAOYSA-N 1 0 240.734 1.841 20 10 BDCDRO CCCC[N@H+](CCO)Cc1ccccc1O ZINC000128549734 591118950 /nfs/dbraw/zinc/11/89/50/591118950.db2.gz KPXKDVGIJSZFCX-UHFFFAOYSA-N 1 0 223.316 1.987 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2cc(OC)ccc2O)C1 ZINC000128864165 591169999 /nfs/dbraw/zinc/16/99/99/591169999.db2.gz LMCWZHNCFKZXKL-LLVKDONJSA-N 1 0 236.315 1.195 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC000132479765 591713005 /nfs/dbraw/zinc/71/30/05/591713005.db2.gz HGUGINYYIJHURZ-GFCCVEGCSA-N 1 0 221.300 1.657 20 10 BDCDRO C[C@H](CC[NH2+]Cc1ccccc1O)[S@](C)=O ZINC000132555954 591718277 /nfs/dbraw/zinc/71/82/77/591718277.db2.gz YOROUQMTHCOGTQ-QLJPJBMISA-N 1 0 241.356 1.639 20 10 BDCDRO C[NH2+]C[C@@H]1CCCN1Cc1ccc(N(C)C)cc1 ZINC000133047796 591760149 /nfs/dbraw/zinc/76/01/49/591760149.db2.gz BTJJWVSIDQKNJO-HNNXBMFYSA-N 1 0 247.386 1.936 20 10 BDCDRO CCN(CC)C(=O)C[NH2+]Cc1ccccc1O ZINC000134227874 591903278 /nfs/dbraw/zinc/90/32/78/591903278.db2.gz RKISJPZNKHMBDM-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000884348436 591909963 /nfs/dbraw/zinc/90/99/63/591909963.db2.gz ZFIGXWRVXIIBTA-NEPJUHHUSA-N 1 0 247.342 1.053 20 10 BDCDRO COc1cccc(C[NH2+]CC2(O)CCC2)c1O ZINC000134518048 591932419 /nfs/dbraw/zinc/93/24/19/591932419.db2.gz YLONMAPDKSJUJF-UHFFFAOYSA-N 1 0 237.299 1.405 20 10 BDCDRO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000216058743 592008694 /nfs/dbraw/zinc/00/86/94/592008694.db2.gz JZIPFPQVEOOPHS-OCCSQVGLSA-N 1 0 247.386 1.922 20 10 BDCDRO C[C@H]([NH2+]CC(=O)N1CCCC1)c1ccccc1O ZINC000135719937 592033103 /nfs/dbraw/zinc/03/31/03/592033103.db2.gz WCPIKXDCRZCTAF-NSHDSACASA-N 1 0 248.326 1.665 20 10 BDCDRO CCNC(=O)CC[NH2+][C@H](C)c1ccccc1O ZINC000135719798 592033205 /nfs/dbraw/zinc/03/32/05/592033205.db2.gz YDHYUKLZLLBUBD-SNVBAGLBSA-N 1 0 236.315 1.569 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000300334417 592506981 /nfs/dbraw/zinc/50/69/81/592506981.db2.gz NTCSXYVSZNTXQR-LLVKDONJSA-N 1 0 225.263 1.752 20 10 BDCDRO CC(=O)N[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000228356032 635459684 /nfs/dbraw/zinc/45/96/84/635459684.db2.gz SMCRVUWEJIXKIS-CYBMUJFWSA-N 1 0 248.326 1.411 20 10 BDCDRO C[C@@H](O)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297542397 631235690 /nfs/dbraw/zinc/23/56/90/631235690.db2.gz FCNZENBVOXVPQQ-MWLCHTKSSA-N 1 0 221.300 1.740 20 10 BDCDRO CN(C)CC(C)(C)[NH2+]Cc1cc(F)ccc1O ZINC000308610824 631447518 /nfs/dbraw/zinc/44/75/18/631447518.db2.gz ZJCFFTWOEMLKIG-UHFFFAOYSA-N 1 0 240.322 1.961 20 10 BDCDRO C[C@@H]([NH3+])CN(C)Cc1c(O)cccc1Cl ZINC000309052957 631827083 /nfs/dbraw/zinc/82/70/83/631827083.db2.gz QWNWNEWMQKKWDT-MRVPVSSYSA-N 1 0 228.723 1.825 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C2CSC2)c1 ZINC000309065373 631831281 /nfs/dbraw/zinc/83/12/81/631831281.db2.gz YZIKWVUGSJKAQR-UHFFFAOYSA-N 1 0 225.313 1.606 20 10 BDCDRO C[C@@H](C[NH3+])N(C)Cc1cccc(F)c1O ZINC000309500764 632417189 /nfs/dbraw/zinc/41/71/89/632417189.db2.gz UXAZAHKWMFDJRP-QMMMGPOBSA-N 1 0 212.268 1.310 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1O ZINC000167192770 633125043 /nfs/dbraw/zinc/12/50/43/633125043.db2.gz UKOBEGBESHJVHO-VIFPVBQESA-N 1 0 222.288 1.006 20 10 BDCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000309956558 634053150 /nfs/dbraw/zinc/05/31/50/634053150.db2.gz IPIMTQCXEMDFHY-QWRGUYRKSA-N 1 0 222.332 1.612 20 10 BDCDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc(N)cc1 ZINC000237478511 636800042 /nfs/dbraw/zinc/80/00/42/636800042.db2.gz QYYKDHPTONFRNY-MFKMUULPSA-N 1 0 247.342 1.150 20 10 BDCDRO CCN(CC)c1ccc(C[NH2+][C@H](C)C(N)=O)cc1 ZINC000035148724 636879535 /nfs/dbraw/zinc/87/95/35/636879535.db2.gz HBKQHACMHLEIFO-LLVKDONJSA-N 1 0 249.358 1.496 20 10 BDCDRO O[C@H]1CCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000323277184 636913653 /nfs/dbraw/zinc/91/36/53/636913653.db2.gz KLIUJYPIDSNRAX-STQMWFEESA-N 1 0 233.311 1.625 20 10 BDCDRO Cc1cccc(CN[C@@H]2C[NH2+]CC2(C)C)c1O ZINC000904462715 637406994 /nfs/dbraw/zinc/40/69/94/637406994.db2.gz RICWHUOAYYQTKH-GFCCVEGCSA-N 1 0 234.343 1.788 20 10 BDCDRO Nc1ccc(NC(=O)CC2CC([NH3+])C2)cc1 ZINC000911661859 639695136 /nfs/dbraw/zinc/69/51/36/639695136.db2.gz YKZAHBGSCYEKPO-UHFFFAOYSA-N 1 0 219.288 1.335 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H](C)CC(N)=O)c(O)c1 ZINC000168830142 640829437 /nfs/dbraw/zinc/82/94/37/640829437.db2.gz UWARYVFRIYZWSG-NXEZZACHSA-N 1 0 236.315 1.615 20 10 BDCDRO CC[C@]1(C(=O)NCc2ccccc2O)CCC[NH2+]1 ZINC000228420588 640873839 /nfs/dbraw/zinc/87/38/39/640873839.db2.gz LKUIGXQAPNQIRL-CQSZACIVSA-N 1 0 248.326 1.541 20 10 BDCDRO [NH3+]C1(CC(=O)NCc2ccccc2O)CCC1 ZINC000228423896 640874337 /nfs/dbraw/zinc/87/43/37/640874337.db2.gz PBLMOJOVMAYETE-UHFFFAOYSA-N 1 0 234.299 1.280 20 10 BDCDRO CC[NH2+]CCNCc1ccc2c(c1)CCCO2 ZINC000228715311 640891327 /nfs/dbraw/zinc/89/13/27/640891327.db2.gz DSIXMRYREFNJLW-UHFFFAOYSA-N 1 0 234.343 1.711 20 10 BDCDRO CCNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801567 641092034 /nfs/dbraw/zinc/09/20/34/641092034.db2.gz OZFULLUQHWVRBF-UHFFFAOYSA-N 1 0 247.342 1.034 20 10 BDCDRO C[N@H+](Cc1cnccn1)Cc1ccccc1O ZINC000179564377 642725317 /nfs/dbraw/zinc/72/53/17/642725317.db2.gz ZUFGQMMPSULOMC-UHFFFAOYSA-N 1 0 229.283 1.814 20 10 BDCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H]1CCOC1 ZINC000180242078 642781054 /nfs/dbraw/zinc/78/10/54/642781054.db2.gz FPOAFWPJMYACFK-JTQLQIEISA-N 1 0 239.290 2.000 20 10 BDCDRO CN(Cc1cc(Cl)ccc1O)[C@H]1CC[NH2+]C1 ZINC000070892273 643079088 /nfs/dbraw/zinc/07/90/88/643079088.db2.gz AGUXRCLMENXSKH-NSHDSACASA-N 1 0 240.734 1.839 20 10 BDCDRO COCC[NH2+][C@H](C)c1cc(C)ccc1O ZINC000035628471 643252792 /nfs/dbraw/zinc/25/27/92/643252792.db2.gz SSQCQWOLLATKQJ-SNVBAGLBSA-N 1 0 209.289 1.998 20 10 BDCDRO CCCNC(=O)CC[NH2+]Cc1ccccc1O ZINC000045071723 643551393 /nfs/dbraw/zinc/55/13/93/643551393.db2.gz XKWYQBGOKYDXLS-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO O=C1C[C@@H](CC[NH2+]Cc2ccccc2O)CN1 ZINC000922781241 644095817 /nfs/dbraw/zinc/09/58/17/644095817.db2.gz JCTMCCNZXRGHDL-SNVBAGLBSA-N 1 0 234.299 1.008 20 10 BDCDRO COC(OC)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000079605542 644197579 /nfs/dbraw/zinc/19/75/79/644197579.db2.gz QPXKELUZUKFYSJ-JTQLQIEISA-N 1 0 239.315 1.798 20 10 BDCDRO C[NH2+]CCN(C)Cc1ccc(N(C)C)c(C)c1 ZINC000923360634 644385615 /nfs/dbraw/zinc/38/56/15/644385615.db2.gz DARPZYVVPDLVTF-UHFFFAOYSA-N 1 0 235.375 1.712 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCOC1)c1cc(F)ccc1O ZINC000087784333 644503573 /nfs/dbraw/zinc/50/35/73/644503573.db2.gz ZROBVWDEYMQABN-WPRPVWTQSA-N 1 0 225.263 1.971 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1cc(F)ccc1O ZINC000087784330 644503882 /nfs/dbraw/zinc/50/38/82/644503882.db2.gz ZROBVWDEYMQABN-PSASIEDQSA-N 1 0 225.263 1.971 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cnc[nH]2)c1O ZINC000088750883 644528975 /nfs/dbraw/zinc/52/89/75/644528975.db2.gz DSUVBHWCKYQJRO-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CC(N)=O ZINC000749128611 644589708 /nfs/dbraw/zinc/58/97/08/644589708.db2.gz JPOBPUJIKUPGNV-LLVKDONJSA-N 1 0 249.358 1.415 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)CCO)c(O)c1 ZINC000096811508 644839872 /nfs/dbraw/zinc/83/98/72/644839872.db2.gz SIADBJTUWVECCJ-VIFPVBQESA-N 1 0 225.288 1.261 20 10 BDCDRO CN1CC(C[N@H+](C)Cc2cc(F)ccc2O)C1 ZINC000827125988 645073347 /nfs/dbraw/zinc/07/33/47/645073347.db2.gz VCSKWHAAQPFXIS-UHFFFAOYSA-N 1 0 238.306 1.525 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](CO)CCF)cc1C ZINC000846097496 645404509 /nfs/dbraw/zinc/40/45/09/645404509.db2.gz PZSVDPZGSDKKHN-GFCCVEGCSA-N 1 0 241.306 1.814 20 10 BDCDRO C[C@@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccccc1O ZINC000926984189 645506761 /nfs/dbraw/zinc/50/67/61/645506761.db2.gz DULLJUICYDUKEE-MNOVXSKESA-N 1 0 248.326 1.569 20 10 BDCDRO CC[C@@H]([NH2+][C@@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925864456 646517249 /nfs/dbraw/zinc/51/72/49/646517249.db2.gz RFBKZLREBVCEEA-TZMCWYRMSA-N 1 0 249.358 1.697 20 10 BDCDRO c1cc(C[NH2+]C2CSC2)cc2c1OCC2 ZINC000701973828 712033817 /nfs/dbraw/zinc/03/38/17/712033817.db2.gz ROZZTFAYMOEAFW-UHFFFAOYSA-N 1 0 221.325 1.827 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2CCN2C)c1O ZINC000712537581 712442701 /nfs/dbraw/zinc/44/27/01/712442701.db2.gz FEOMFWGMFGZNJF-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO COCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000379915200 712625065 /nfs/dbraw/zinc/62/50/65/712625065.db2.gz BKZDMIBKDLLAMJ-JTQLQIEISA-N 1 0 207.273 1.616 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000381538869 710652426 /nfs/dbraw/zinc/65/24/26/710652426.db2.gz GVOIFEWLNZRQOX-VIFPVBQESA-N 1 0 225.288 1.261 20 10 BDCDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000722272641 710706599 /nfs/dbraw/zinc/70/65/99/710706599.db2.gz NSHCCGJQWLGJPK-FZMZJTMJSA-N 1 0 246.354 1.661 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@@H](C)O ZINC000386857609 711037676 /nfs/dbraw/zinc/03/76/76/711037676.db2.gz JBHXACFPALARIC-MFKMUULPSA-N 1 0 235.327 1.871 20 10 BDCDRO Cn1cncc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000388384447 711060208 /nfs/dbraw/zinc/06/02/08/711060208.db2.gz YXMFTGXCELOSCI-LBPRGKRZSA-N 1 0 243.310 1.903 20 10 BDCDRO CCN1C[C@H]([NH2+]Cc2cc(C)ccc2O)CC1=O ZINC000391601101 711138528 /nfs/dbraw/zinc/13/85/28/711138528.db2.gz JSXTZGQZPLYNTE-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO COc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000395357518 711208549 /nfs/dbraw/zinc/20/85/49/711208549.db2.gz KWXKVKKXMKYNCI-PWSUYJOCSA-N 1 0 248.326 1.195 20 10 BDCDRO COC[C@@H]([NH2+]CCc1ccc(N)cc1)C1CC1 ZINC000398029820 711399535 /nfs/dbraw/zinc/39/95/35/711399535.db2.gz NANNEEPTYSHZII-CQSZACIVSA-N 1 0 234.343 1.826 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccccc1O ZINC000398363913 711410079 /nfs/dbraw/zinc/41/00/79/711410079.db2.gz YXXMYUUUDVFAQI-VHSXEESVSA-N 1 0 234.299 1.179 20 10 BDCDRO C[C@H]1CC[C@H](NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000399000018 711417131 /nfs/dbraw/zinc/41/71/31/711417131.db2.gz BPPGBQOCPDANQL-JSGCOSHPSA-N 1 0 247.386 1.983 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]CCO)c2c1c(F)ccc2O ZINC000381259265 710612482 /nfs/dbraw/zinc/61/24/82/710612482.db2.gz RNMDJPJGVGWXFE-VXNVDRBHSA-N 1 0 225.263 1.662 20 10 BDCDRO Cn1cc(C[NH2+][C@@H]2CCc3cccc(O)c32)nn1 ZINC000389815584 711091001 /nfs/dbraw/zinc/09/10/01/711091001.db2.gz OSISAHSVDJQPMQ-LLVKDONJSA-N 1 0 244.298 1.298 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cnc(C)o2)c1 ZINC000397911609 711396333 /nfs/dbraw/zinc/39/63/33/711396333.db2.gz HZPFKMZJFILILB-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CCn2ccnc21 ZINC000393962924 711680740 /nfs/dbraw/zinc/68/07/40/711680740.db2.gz VKUCRYNSWZQDPP-LLVKDONJSA-N 1 0 229.283 1.823 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000161364415 711811550 /nfs/dbraw/zinc/81/15/50/711811550.db2.gz PUUJPRYFYWJEQB-MNOVXSKESA-N 1 0 249.358 1.667 20 10 BDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1O ZINC000700654383 712001882 /nfs/dbraw/zinc/00/18/82/712001882.db2.gz RLXHPQGFYKVQKE-VXGBXAGGSA-N 1 0 248.326 1.397 20 10 BDCDRO OC1CC(CC[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000702436891 712052840 /nfs/dbraw/zinc/05/28/40/712052840.db2.gz MFRBWZOBOFPEMC-UHFFFAOYSA-N 1 0 247.338 1.872 20 10 BDCDRO COc1cc(C[NH2+]Cc2ccccc2O)on1 ZINC000705592308 712132246 /nfs/dbraw/zinc/13/22/46/712132246.db2.gz KVXNKFHPTKADLY-UHFFFAOYSA-N 1 0 234.255 1.679 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000378731505 712359555 /nfs/dbraw/zinc/35/95/55/712359555.db2.gz LDPTXKMFSKMGMB-UFGOTCBOSA-N 1 0 221.300 1.875 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c(O)c1 ZINC000378756480 712360729 /nfs/dbraw/zinc/36/07/29/712360729.db2.gz YIHBNVSUWHXEJN-YUSALJHKSA-N 1 0 221.300 1.875 20 10 BDCDRO CC[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000379212073 712371705 /nfs/dbraw/zinc/37/17/05/712371705.db2.gz FJHDJWYREYHCFS-MFKMUULPSA-N 1 0 249.358 1.667 20 10 BDCDRO C[C@@H](C[NH3+])N(C)Cc1c(O)cccc1Cl ZINC000383024997 712387199 /nfs/dbraw/zinc/38/71/99/712387199.db2.gz XWUDLWNPJJUFAI-QMMMGPOBSA-N 1 0 228.723 1.825 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]CCc1cn[nH]c1)CC2 ZINC000379591834 712389715 /nfs/dbraw/zinc/38/97/15/712389715.db2.gz YLSKMXMGZKVNLR-GFCCVEGCSA-N 1 0 243.310 1.935 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1CCN1C)c1cc(F)ccc1O ZINC000712596579 712436317 /nfs/dbraw/zinc/43/63/17/712436317.db2.gz VCFOZTXVDYJMFZ-GXSJLCMTSA-N 1 0 238.306 1.886 20 10 BDCDRO O=C(NCc1ccccc1O)C12CC[NH+](CC1)C2 ZINC000715846730 712536222 /nfs/dbraw/zinc/53/62/22/712536222.db2.gz MNNDDAZQWHESOO-UHFFFAOYSA-N 1 0 246.310 1.104 20 10 BDCDRO OC[C@H](CC(F)(F)F)[NH2+]Cc1ccccc1O ZINC000717788450 712677679 /nfs/dbraw/zinc/67/76/79/712677679.db2.gz BMUBNVWPYOOSOS-VIFPVBQESA-N 1 0 249.232 1.795 20 10 BDCDRO C[C@@H]([NH3+])CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801175 712759038 /nfs/dbraw/zinc/75/90/38/712759038.db2.gz XDPNLXRBDXNTCW-LLVKDONJSA-N 1 0 249.358 1.448 20 10 BDCDRO C[C@H]([NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037801156 712759059 /nfs/dbraw/zinc/75/90/59/712759059.db2.gz QJTLUEHRABXUQI-JTQLQIEISA-N 1 0 235.331 1.058 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c1O ZINC000720934529 712879883 /nfs/dbraw/zinc/87/98/83/712879883.db2.gz CYAUKCIUWAERDP-KLPPZKSPSA-N 1 0 221.300 1.561 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000720994362 712886252 /nfs/dbraw/zinc/88/62/52/712886252.db2.gz JZQBQFWSQSDCTH-XBXGTLAGSA-N 1 0 234.343 1.613 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156600 960893373 /nfs/dbraw/zinc/89/33/73/960893373.db2.gz OHCCZLJFXUAPHH-VIFPVBQESA-N 1 0 207.273 1.940 20 10 BDCDRO Cc1ccc(O)c(CN2CC(C)([NH3+])C2)c1 ZINC001204979917 963318884 /nfs/dbraw/zinc/31/88/84/963318884.db2.gz WIIFTBQKCAZIRJ-UHFFFAOYSA-N 1 0 206.289 1.234 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204275272 966954138 /nfs/dbraw/zinc/95/41/38/966954138.db2.gz NOLNMMFBRQUWCT-LLVKDONJSA-N 1 0 223.272 1.319 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CO[C@@H](C)C2)c(O)c1 ZINC000877608209 983955420 /nfs/dbraw/zinc/95/54/20/983955420.db2.gz RMPDYCVKXDRFNL-CMPLNLGQSA-N 1 0 221.300 1.968 20 10 BDCDRO COc1ccc(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC000405771774 971302888 /nfs/dbraw/zinc/30/28/88/971302888.db2.gz ABJSJTCTMYHMLP-ZDUSSCGKSA-N 1 0 236.315 1.324 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2cc(F)ccc2O)C1 ZINC000405752077 971303415 /nfs/dbraw/zinc/30/34/15/971303415.db2.gz SDWPHJMDULRTSV-GFCCVEGCSA-N 1 0 224.279 1.454 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2cc(Cl)ccc2O)C1 ZINC000405832054 971312030 /nfs/dbraw/zinc/31/20/30/971312030.db2.gz NVXBKDBWZOJKHD-GFCCVEGCSA-N 1 0 240.734 1.969 20 10 BDCDRO CCN1CCc2cc(O[C@@H]3C[NH2+][C@H]3C)ccc21 ZINC001218393533 971772479 /nfs/dbraw/zinc/77/24/79/971772479.db2.gz VBTTWAPJYUJRJR-IINYFYTJSA-N 1 0 232.327 1.808 20 10 BDCDRO Nc1ccc(O[C@@H]2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001218474743 960118987 /nfs/dbraw/zinc/11/89/87/960118987.db2.gz WWTNCMYUOZXMCI-ZWKOPEQDSA-N 1 0 218.300 1.646 20 10 BDCDRO Cc1ccc(O)c(CN2CC(C)([NH+](C)C)C2)c1 ZINC001140622977 960467415 /nfs/dbraw/zinc/46/74/15/960467415.db2.gz JQUXOXHLDSGZJB-UHFFFAOYSA-N 1 0 234.343 1.837 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+](C)C2(C)COC2)c1O ZINC001140748830 960549671 /nfs/dbraw/zinc/54/96/71/960549671.db2.gz LKDJXCKTAMOPFX-UHFFFAOYSA-N 1 0 237.299 1.627 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(CO)C2)c(O)c1 ZINC001140947959 960731773 /nfs/dbraw/zinc/73/17/73/960731773.db2.gz MZOCUJZQKHGEPW-CQSZACIVSA-N 1 0 235.327 1.905 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CCC(O)CC2)c1 ZINC001141155705 960890076 /nfs/dbraw/zinc/89/00/76/960890076.db2.gz GCSULJJHFAHPRZ-UHFFFAOYSA-N 1 0 223.272 1.055 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141155958 960890951 /nfs/dbraw/zinc/89/09/51/960890951.db2.gz BYCKLTWVXBRZGE-SNVBAGLBSA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CC3(CC(O)C3)C2)c1 ZINC001141155628 960891454 /nfs/dbraw/zinc/89/14/54/960891454.db2.gz BXZXOZMBYSLETM-UHFFFAOYSA-N 1 0 235.283 1.055 20 10 BDCDRO Oc1ccc(O)c(C[N@H+]2CCC[C@H](O)C2)c1 ZINC001141156421 960891718 /nfs/dbraw/zinc/89/17/18/960891718.db2.gz XEPIYFLSEFKCRG-NSHDSACASA-N 1 0 223.272 1.055 20 10 BDCDRO Oc1ccc(O)c(CN2CC([NH+]3CCCC3)C2)c1 ZINC001141159665 960897612 /nfs/dbraw/zinc/89/76/12/960897612.db2.gz JBNPGWMMTKNBJH-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c1 ZINC001141161813 960899118 /nfs/dbraw/zinc/89/91/18/960899118.db2.gz YXBQVBDFAXYOFT-IINYFYTJSA-N 1 0 249.310 1.709 20 10 BDCDRO CC[N@H+](Cc1cc(O)ccc1O)C1CN(C)C1 ZINC001141162217 960900003 /nfs/dbraw/zinc/90/00/03/960900003.db2.gz MZRNSYSRBINQMK-UHFFFAOYSA-N 1 0 236.315 1.234 20 10 BDCDRO CC[C@H]1COCCN1Cc1cc(O)ccc1O ZINC001141161541 960906672 /nfs/dbraw/zinc/90/66/72/960906672.db2.gz URKBGDKTTFXJKC-NSHDSACASA-N 1 0 237.299 1.709 20 10 BDCDRO Cc1cc(C)c(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204792649 963595891 /nfs/dbraw/zinc/59/58/91/963595891.db2.gz XUFJWKPEFJSGPI-AWEZNQCLSA-N 1 0 234.343 1.932 20 10 BDCDRO C[NH+](C)C1CN(Cc2cc(F)c(F)cc2O)C1 ZINC001142509109 964343456 /nfs/dbraw/zinc/34/34/56/964343456.db2.gz XCIVOLQGAGCPFW-UHFFFAOYSA-N 1 0 242.269 1.416 20 10 BDCDRO COc1cccc(N)c1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC001162399777 964959159 /nfs/dbraw/zinc/95/91/59/964959159.db2.gz DPUASFGLTTZDHZ-VHSXEESVSA-N 1 0 235.331 1.959 20 10 BDCDRO CCN(Cc1ccc(N(C)C)cc1)C(=O)CC[NH3+] ZINC000032104826 965862736 /nfs/dbraw/zinc/86/27/36/965862736.db2.gz OZHMWCVDCCXPGD-UHFFFAOYSA-N 1 0 249.358 1.450 20 10 BDCDRO C[C@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000699745842 966061171 /nfs/dbraw/zinc/06/11/71/966061171.db2.gz UQIKLMXBKNDMST-GZMMTYOYSA-N 1 0 225.263 1.656 20 10 BDCDRO COc1cc(C)c(CN2C[C@@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236285505 966339383 /nfs/dbraw/zinc/33/93/83/966339383.db2.gz BGSZRWNFCFGJJA-GWCFXTLKSA-N 1 0 248.326 1.113 20 10 BDCDRO Nc1ccc(CC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000238115182 966442041 /nfs/dbraw/zinc/44/20/41/966442041.db2.gz KKTXOXRPQYLPBB-ZDUSSCGKSA-N 1 0 247.342 1.070 20 10 BDCDRO CN1CCC2(C[NH+](Cc3ccccc3O)C2)C1=O ZINC001203562054 966689520 /nfs/dbraw/zinc/68/95/20/966689520.db2.gz CIDZKEDGNXMPFW-UHFFFAOYSA-N 1 0 246.310 1.056 20 10 BDCDRO COc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c(O)c1 ZINC001203628799 966715717 /nfs/dbraw/zinc/71/57/17/966715717.db2.gz ILGYIRLPVIFNMS-SMDDNHRTSA-N 1 0 249.310 1.622 20 10 BDCDRO CC[N@H+](CCOC)Cc1ccc(O)c(O)c1 ZINC001203874093 966806386 /nfs/dbraw/zinc/80/63/86/966806386.db2.gz NRIRERGJLISWFC-UHFFFAOYSA-N 1 0 225.288 1.566 20 10 BDCDRO C[NH+](C)C1(C)CN(Cc2ccc(O)c(O)c2)C1 ZINC001203882663 966807979 /nfs/dbraw/zinc/80/79/79/966807979.db2.gz PNQXIAQGNFRIII-UHFFFAOYSA-N 1 0 236.315 1.234 20 10 BDCDRO Oc1ccc(C[NH+]2CCC3(CCO3)CC2)cc1O ZINC001203882961 966808425 /nfs/dbraw/zinc/80/84/25/966808425.db2.gz YTJZCOQRYCEGKI-UHFFFAOYSA-N 1 0 249.310 1.853 20 10 BDCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204272779 966953444 /nfs/dbraw/zinc/95/34/44/966953444.db2.gz RWBVAHKKUCYWJC-SNVBAGLBSA-N 1 0 237.299 1.302 20 10 BDCDRO COCC1C[NH+](Cc2ccc(O)cc2O)C1 ZINC001204273108 966953830 /nfs/dbraw/zinc/95/38/30/966953830.db2.gz YPUHYWIVLGQEJO-UHFFFAOYSA-N 1 0 223.272 1.176 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204283067 966960637 /nfs/dbraw/zinc/96/06/37/966960637.db2.gz YCJJJOTZLCKPHD-JTQLQIEISA-N 1 0 223.272 1.319 20 10 BDCDRO COC(C[N@H+](C)Cc1ccc(O)cc1O)OC ZINC001204278316 966961878 /nfs/dbraw/zinc/96/18/78/966961878.db2.gz DJZNPYJUIDVEGH-UHFFFAOYSA-N 1 0 241.287 1.149 20 10 BDCDRO Nc1ccc(CN2CCCC[C@H]2C[NH3+])cc1 ZINC001204931880 967239775 /nfs/dbraw/zinc/23/97/75/967239775.db2.gz GBQQEQKOFXJYAM-ZDUSSCGKSA-N 1 0 219.332 1.582 20 10 BDCDRO CN1CCCc2cc(CN3CC(C)([NH3+])C3)ccc21 ZINC001204973445 967269138 /nfs/dbraw/zinc/26/91/38/967269138.db2.gz GLAVJUHKAIZKAK-UHFFFAOYSA-N 1 0 245.370 1.602 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCNC2=O)c(O)c1 ZINC000710445061 967954375 /nfs/dbraw/zinc/95/43/75/967954375.db2.gz NAMKICJCAFUSOU-KOLCDFICSA-N 1 0 234.299 1.240 20 10 BDCDRO CN(C[C@@H]1CCC[NH2+]C1)c1ccc(N)cc1 ZINC001118896832 968252377 /nfs/dbraw/zinc/25/23/77/968252377.db2.gz HAZPKJQXDSKDNZ-LLVKDONJSA-N 1 0 219.332 1.705 20 10 BDCDRO Cc1cccc(CN2C[C@H](F)C[C@H]([NH3+])C2)c1O ZINC001206436803 968302990 /nfs/dbraw/zinc/30/29/90/968302990.db2.gz NURPMCRRTHXLFT-NEPJUHHUSA-N 1 0 238.306 1.572 20 10 BDCDRO Cc1cccc(CN2C[C@H]([NH3+])C[C@@H](F)C2)c1O ZINC001206436806 968303697 /nfs/dbraw/zinc/30/36/97/968303697.db2.gz NURPMCRRTHXLFT-VXGBXAGGSA-N 1 0 238.306 1.572 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@@H]([NH3+])C[C@H](F)C1 ZINC001206445722 968312634 /nfs/dbraw/zinc/31/26/34/968312634.db2.gz QCZMEWKDNRAWGF-QWRGUYRKSA-N 1 0 238.306 1.572 20 10 BDCDRO CC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC001169573058 969770313 /nfs/dbraw/zinc/77/03/13/969770313.db2.gz AQSBOSPXLKETDP-ZDUSSCGKSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000400714363 970620022 /nfs/dbraw/zinc/62/00/22/970620022.db2.gz FHLTUKRMAUATTN-DOMZBBRYSA-N 1 0 247.386 1.983 20 10 BDCDRO C[N@H+](Cc1c(O)cc(O)cc1O)C1CC1 ZINC001144500612 972847475 /nfs/dbraw/zinc/84/74/75/972847475.db2.gz WTPDLDDBQRYTNP-UHFFFAOYSA-N 1 0 209.245 1.398 20 10 BDCDRO C[C@@H]1COCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144500316 972848618 /nfs/dbraw/zinc/84/86/18/972848618.db2.gz RZRZPVTTZZNCKY-MRVPVSSYSA-N 1 0 239.271 1.024 20 10 BDCDRO Nc1ccc(CN2C[C@H]([NH3+])CC(F)(F)C2)cc1 ZINC001206139716 974103751 /nfs/dbraw/zinc/10/37/51/974103751.db2.gz OBULQEPUNALIJG-LLVKDONJSA-N 1 0 241.285 1.437 20 10 BDCDRO CCN1CC[C@@H]([NH2+]Cc2ccccc2O)CC1=O ZINC001172023124 974277069 /nfs/dbraw/zinc/27/70/69/974277069.db2.gz LHVQWYHJMOYZIN-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c(O)c1 ZINC001333370398 975721242 /nfs/dbraw/zinc/72/12/42/975721242.db2.gz IMDGHSXXGOKQNZ-ZDUSSCGKSA-N 1 0 233.311 1.657 20 10 BDCDRO Nc1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC001334774502 976644392 /nfs/dbraw/zinc/64/43/92/976644392.db2.gz KQTVDHCFPRDPIF-GFCCVEGCSA-N 1 0 205.305 1.192 20 10 BDCDRO Nc1ccc(C[NH2+][C@@H]2COC[C@H]2C2CC2)cc1 ZINC001334775067 976645052 /nfs/dbraw/zinc/64/50/52/976645052.db2.gz QCKWKOQFLJDABH-UONOGXRCSA-N 1 0 232.327 1.783 20 10 BDCDRO Cc1c[nH+]ccc1Nc1cccc(O)c1O ZINC001174539100 976828749 /nfs/dbraw/zinc/82/87/49/976828749.db2.gz CKZATDLWTBYALM-UHFFFAOYSA-N 1 0 216.240 1.967 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@H]3C[C@@H](C2)O3)c1O ZINC001231592116 977639645 /nfs/dbraw/zinc/63/96/45/977639645.db2.gz BXCXAFJSFQCADZ-TXEJJXNPSA-N 1 0 219.284 1.674 20 10 BDCDRO Cc1cccc(C[NH+]2CC(C3COC3)C2)c1O ZINC001231590588 977644692 /nfs/dbraw/zinc/64/46/92/977644692.db2.gz BKXVFUGQMTUUEP-UHFFFAOYSA-N 1 0 233.311 1.779 20 10 BDCDRO COc1cc(C[N@H+](C)CC2CC2)c(O)cc1O ZINC001231634505 977655473 /nfs/dbraw/zinc/65/54/73/977655473.db2.gz ODABQSZLCHODRF-UHFFFAOYSA-N 1 0 237.299 1.948 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CCC2)c(O)c1 ZINC001232835106 978310412 /nfs/dbraw/zinc/31/04/12/978310412.db2.gz WEJFKXXQMWQNAF-UHFFFAOYSA-N 1 0 206.289 1.664 20 10 BDCDRO C[C@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233009788 978408482 /nfs/dbraw/zinc/40/84/82/978408482.db2.gz ATHUMYVVSDXSRI-QMMMGPOBSA-N 1 0 223.272 1.788 20 10 BDCDRO CSCC[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233015716 978411528 /nfs/dbraw/zinc/41/15/28/978411528.db2.gz YNNUKNDDGFZNIP-UHFFFAOYSA-N 1 0 243.328 1.598 20 10 BDCDRO Oc1ccc(F)cc1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235045744 978963057 /nfs/dbraw/zinc/96/30/57/978963057.db2.gz VEHVWXZIPXFKON-NWDGAFQWSA-N 1 0 236.290 1.468 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@H]3C[C@@]3([NH3+])C2)cc1 ZINC001235166642 978987929 /nfs/dbraw/zinc/98/79/29/978987929.db2.gz USMWFUURNDCYGZ-DZGCQCFKSA-N 1 0 245.370 1.676 20 10 BDCDRO [NH3+][C@]12C[C@H]1CN(Cc1c(O)ccc(F)c1F)C2 ZINC001236023114 979316477 /nfs/dbraw/zinc/31/64/77/979316477.db2.gz GBSQLCYQVALBCB-MADCSZMMSA-N 1 0 240.253 1.203 20 10 BDCDRO CN(Cc1cc(O)ccc1O)C[C@@H]1CCC[NH2+]1 ZINC001236119007 979399898 /nfs/dbraw/zinc/39/98/98/979399898.db2.gz CVXNBVZXABXQGR-NSHDSACASA-N 1 0 236.315 1.282 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2c(O)ccc(F)c2Cl)C1 ZINC001236175291 979436539 /nfs/dbraw/zinc/43/65/39/979436539.db2.gz ZWUDJAYNSMIRST-SSDOTTSWSA-N 1 0 244.697 1.718 20 10 BDCDRO CCC1([NH3+])CN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC001236185420 979438999 /nfs/dbraw/zinc/43/89/99/979438999.db2.gz JWBVGWGTYKOLNE-UHFFFAOYSA-N 1 0 247.386 1.984 20 10 BDCDRO CCC1([NH3+])CN(Cc2ccc(N)cc2)C1 ZINC001236186534 979443407 /nfs/dbraw/zinc/44/34/07/979443407.db2.gz NKVDUENXGWLZTN-UHFFFAOYSA-N 1 0 205.305 1.192 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001341924576 979595690 /nfs/dbraw/zinc/59/56/90/979595690.db2.gz YBDASGQLHPEJGN-STQMWFEESA-N 1 0 247.342 1.403 20 10 BDCDRO COc1cc(C)c(CN(C)C2COC2)c(O)c1 ZINC001236813359 979747646 /nfs/dbraw/zinc/74/76/46/979747646.db2.gz JACLZZQLSVNUMG-UHFFFAOYSA-N 1 0 237.299 1.540 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1cc(F)cc(Cl)c1[O-] ZINC001236907744 979791643 /nfs/dbraw/zinc/79/16/43/979791643.db2.gz GHKOPDXTYVMSAU-ZETCQYMHSA-N 1 0 246.713 1.964 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC001237485733 979909213 /nfs/dbraw/zinc/90/92/13/979909213.db2.gz QXUDXMQLPMXTFL-RISCZKNCSA-N 1 0 235.327 1.903 20 10 BDCDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC001237485799 979911337 /nfs/dbraw/zinc/91/13/37/979911337.db2.gz SYZLDKAPHQALTR-GFCCVEGCSA-N 1 0 249.310 1.838 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC001343472094 980119015 /nfs/dbraw/zinc/11/90/15/980119015.db2.gz DLIBMULPHNQBAN-GFCCVEGCSA-N 1 0 247.342 1.275 20 10 BDCDRO OC[C@H]1CCC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875843 982557613 /nfs/dbraw/zinc/55/76/13/982557613.db2.gz XHHDZPAFIQMWOQ-SNVBAGLBSA-N 1 0 223.272 1.055 20 10 BDCDRO C[C@H]1C[C@@H](O)CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203882549 982584339 /nfs/dbraw/zinc/58/43/39/982584339.db2.gz KWCSZQZJMSGRMZ-ONGXEEELSA-N 1 0 237.299 1.443 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC001203931385 982906523 /nfs/dbraw/zinc/90/65/23/982906523.db2.gz OZUNIUNADUHXBB-DOMZBBRYSA-N 1 0 248.370 1.955 20 10 BDCDRO C[NH+]1CCN(c2ccc(-c3ncc[nH]3)cc2)CC1 ZINC001242018789 983220228 /nfs/dbraw/zinc/22/02/28/983220228.db2.gz VTEWFUOFNIYNCI-UHFFFAOYSA-N 1 0 242.326 1.829 20 10 BDCDRO CC[C@@H](C)C[C@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001356237804 983590217 /nfs/dbraw/zinc/59/02/17/983590217.db2.gz AXPQFUIMNSBWCN-MFKMUULPSA-N 1 0 249.358 1.649 20 10 BDCDRO OCC[NH2+]Cc1ccc(Br)cc1O ZINC000691394046 984312679 /nfs/dbraw/zinc/31/26/79/984312679.db2.gz YZOFBLNWCFUQJM-UHFFFAOYSA-N 1 0 246.104 1.237 20 10 BDCDRO Cc1cc(-c2nccn2C)c(C2=CC[NH2+]C2)nn1 ZINC001243108805 984561589 /nfs/dbraw/zinc/56/15/89/984561589.db2.gz GIYHGRDAOVXWRM-UHFFFAOYSA-N 1 0 241.298 1.172 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2ccc(N)cc2)C[NH2+]1 ZINC001246170482 987530881 /nfs/dbraw/zinc/53/08/81/987530881.db2.gz KRNDNBPBSKZQQK-MFKMUULPSA-N 1 0 219.332 1.499 20 10 BDCDRO COC(=O)Cc1ccc(C[NH+]2CCC2)c(O)c1 ZINC001249171508 989262633 /nfs/dbraw/zinc/26/26/33/989262633.db2.gz CTBAXANMFUOJOT-UHFFFAOYSA-N 1 0 235.283 1.313 20 10 BDCDRO CC(C)(C[NH3+])C(=O)NCc1c(O)cccc1F ZINC001122173797 990276019 /nfs/dbraw/zinc/27/60/19/990276019.db2.gz OICMCMBLGUTFIR-UHFFFAOYSA-N 1 0 240.278 1.132 20 10 BDCDRO CN(CCC[NH+](C)C)Cc1c(O)cccc1F ZINC001137831717 990853879 /nfs/dbraw/zinc/85/38/79/990853879.db2.gz KXGNOJCJHWYDCJ-UHFFFAOYSA-N 1 0 240.322 1.915 20 10 BDCDRO C[NH+](C)C1CN(Cc2c(O)cccc2F)C1 ZINC001137831493 990854064 /nfs/dbraw/zinc/85/40/64/990854064.db2.gz BSEHWUVDJQYAGZ-UHFFFAOYSA-N 1 0 224.279 1.277 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCCNC(=O)C2)c1O ZINC001140178406 991551814 /nfs/dbraw/zinc/55/18/14/991551814.db2.gz KTTCCHGHUNRJRN-UHFFFAOYSA-N 1 0 248.326 1.331 20 10 BDCDRO CN(C(=O)[C@@H]1CCCC[C@@H]1[NH3+])c1ccc(N)cc1 ZINC001262009182 992592733 /nfs/dbraw/zinc/59/27/33/992592733.db2.gz NFLZUODABKBUGR-OLZOCXBDSA-N 1 0 247.342 1.749 20 10 BDCDRO Nc1ccc(CNC[C@@H]([NH3+])C2CC2)cc1 ZINC001262487992 992893402 /nfs/dbraw/zinc/89/34/02/992893402.db2.gz MOBCVKWFKYKPCY-GFCCVEGCSA-N 1 0 205.305 1.096 20 10 BDCDRO C[C@H]1C[NH2+]CCN1Cc1cc(F)c(F)cc1O ZINC001576857236 993438941 /nfs/dbraw/zinc/43/89/41/993438941.db2.gz ZVCBLQZLGSMRDF-QMMMGPOBSA-N 1 0 242.269 1.464 20 10 BDCDRO C[C@@H]1C[NH2+]CCN1Cc1cc(F)c(F)cc1O ZINC001576857234 993439229 /nfs/dbraw/zinc/43/92/29/993439229.db2.gz ZVCBLQZLGSMRDF-MRVPVSSYSA-N 1 0 242.269 1.464 20 10 BDCDRO Nc1ccc(CN2CCC3(CC[NH2+]3)CC2)cc1 ZINC001335288874 994714166 /nfs/dbraw/zinc/71/41/66/994714166.db2.gz ISSVLUJYHBBRLR-UHFFFAOYSA-N 1 0 231.343 1.597 20 10 BDCDRO C[C@H](CCO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297575985 398208940 /nfs/dbraw/zinc/20/89/40/398208940.db2.gz GVUVOWXNRPCUOL-MWLCHTKSSA-N 1 0 221.300 1.740 20 10 BDCDRO CC[C@H](CO)[N@H+](C)Cc1cccc(C)c1O ZINC000295021571 398264834 /nfs/dbraw/zinc/26/48/34/398264834.db2.gz CHKODZXRUSDEQH-GFCCVEGCSA-N 1 0 223.316 1.903 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000011727392 342842708 /nfs/dbraw/zinc/84/27/08/342842708.db2.gz TWCAYHROZDSMHW-AWEZNQCLSA-N 1 0 234.343 1.709 20 10 BDCDRO CN(C)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000132724094 398341244 /nfs/dbraw/zinc/34/12/44/398341244.db2.gz VDHQAEIAGURHGF-LBPRGKRZSA-N 1 0 220.316 1.528 20 10 BDCDRO C[C@H](Cn1ccnc1)[NH2+]Cc1ccccc1O ZINC000037157234 343337428 /nfs/dbraw/zinc/33/74/28/343337428.db2.gz HBINXFCYFXHCDT-LLVKDONJSA-N 1 0 231.299 1.767 20 10 BDCDRO C[C@@H]([NH2+]Cc1cnn(C)c1)c1ccccc1O ZINC000041158894 343416036 /nfs/dbraw/zinc/41/60/36/343416036.db2.gz JNNZPKUEDXYIRA-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@H](C)O)c1 ZINC000035629072 178803260 /nfs/dbraw/zinc/80/32/60/178803260.db2.gz WFPWAOXCHZCBEI-UWVGGRQHSA-N 1 0 209.289 1.732 20 10 BDCDRO COc1cccc(C[N@H+](C)CC(C)(C)O)c1O ZINC000093414641 345669638 /nfs/dbraw/zinc/66/96/38/345669638.db2.gz DYPUWFLOYVQDFE-UHFFFAOYSA-N 1 0 239.315 1.604 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H](O)C(C)C)c1O ZINC000162628341 179093493 /nfs/dbraw/zinc/09/34/93/179093493.db2.gz IFBBMFPZSMCWQU-LBPRGKRZSA-N 1 0 223.316 1.807 20 10 BDCDRO Cc1cccc(C[NH2+]Cc2ccnn2C)c1O ZINC000124700277 179095843 /nfs/dbraw/zinc/09/58/43/179095843.db2.gz WNGLVLAGQYNVAR-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)CCCO)c1O ZINC000162871236 179099993 /nfs/dbraw/zinc/09/99/93/179099993.db2.gz CNYMVTRAUMSNSG-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO CCOc1cccc(CN2CC[C@H]([NH3+])C2)c1O ZINC000050227656 350192410 /nfs/dbraw/zinc/19/24/10/350192410.db2.gz KAUWTBDKRLVVCY-NSHDSACASA-N 1 0 236.315 1.324 20 10 BDCDRO Cc1ccc2c(c1)N(C(=O)C1=CC[C@@H]([NH3+])C1)CC2 ZINC000637965234 351839052 /nfs/dbraw/zinc/83/90/52/351839052.db2.gz RCBDYRMOKCCMCO-CYBMUJFWSA-N 1 0 242.322 1.932 20 10 BDCDRO COc1ccc(C[NH2+]C[C@H](O)C2CC2)cc1C ZINC000071302175 187614769 /nfs/dbraw/zinc/61/47/69/187614769.db2.gz MRRLUMLJTYJNSY-ZDUSSCGKSA-N 1 0 235.327 1.864 20 10 BDCDRO CC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000111236158 188327787 /nfs/dbraw/zinc/32/77/87/188327787.db2.gz IACCOJPGWNGHRB-UHFFFAOYSA-N 1 0 207.273 1.803 20 10 BDCDRO CC(C)[C@@](C)(C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262608799 188370467 /nfs/dbraw/zinc/37/04/67/188370467.db2.gz CQLLWHMDDUOCPI-CQSZACIVSA-N 1 0 249.358 1.301 20 10 BDCDRO CC[C@@H](c1ccccc1O)[N@@H+]1CCNC(=O)CC1 ZINC000377545399 357234324 /nfs/dbraw/zinc/23/43/24/357234324.db2.gz XWISUKGCKDRVKQ-LBPRGKRZSA-N 1 0 248.326 1.665 20 10 BDCDRO CN1CCC[N@H+](Cc2ccccc2O)CC1=O ZINC000191663320 357782211 /nfs/dbraw/zinc/78/22/11/357782211.db2.gz ZLUFWCZWZDSSEX-UHFFFAOYSA-N 1 0 234.299 1.056 20 10 BDCDRO OCC[N@H+](Cc1ccccc1O)C1CC1 ZINC000128550729 183069434 /nfs/dbraw/zinc/06/94/34/183069434.db2.gz DUGUZJUULTWNMQ-UHFFFAOYSA-N 1 0 207.273 1.349 20 10 BDCDRO Oc1ccc(F)cc1C[NH+]1CCC(O)CC1 ZINC000179886155 183275166 /nfs/dbraw/zinc/27/51/66/183275166.db2.gz QFFJDHSEMOWESK-UHFFFAOYSA-N 1 0 225.263 1.488 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000051991277 183303274 /nfs/dbraw/zinc/30/32/74/183303274.db2.gz OXIYYLGPQMPKBV-WCQYABFASA-N 1 0 221.300 1.785 20 10 BDCDRO CCCNC(=O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295856492 169228727 /nfs/dbraw/zinc/22/87/27/169228727.db2.gz GJXLFHLHXOSABU-LLVKDONJSA-N 1 0 248.326 1.495 20 10 BDCDRO CCC[NH2+][C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000295167361 169273529 /nfs/dbraw/zinc/27/35/29/169273529.db2.gz LBQSSXMFWUVFHY-NSHDSACASA-N 1 0 249.358 1.316 20 10 BDCDRO CC[C@H](COC)[NH2+]Cc1ccccc1O ZINC000070625070 383944048 /nfs/dbraw/zinc/94/40/48/383944048.db2.gz WCUWUYYMGRCPAH-LLVKDONJSA-N 1 0 209.289 1.907 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2nncn2C)c1 ZINC000038007767 384053599 /nfs/dbraw/zinc/05/35/99/384053599.db2.gz NYOSPHVHQNXIFO-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000092455960 384180340 /nfs/dbraw/zinc/18/03/40/384180340.db2.gz KQFIHBQRNFMOGI-LBPRGKRZSA-N 1 0 221.300 1.657 20 10 BDCDRO CC[C@]1(C(=O)Nc2ccc(N)cc2)CCC[NH2+]1 ZINC000134365342 384351276 /nfs/dbraw/zinc/35/12/76/384351276.db2.gz VMDRBVLKADIKCX-CYBMUJFWSA-N 1 0 233.315 1.740 20 10 BDCDRO C[N@H+](CC[C@H]1CCOC1=O)Cc1ccccc1O ZINC000120532859 384358264 /nfs/dbraw/zinc/35/82/64/384358264.db2.gz YEHMZRZVOOADNG-NSHDSACASA-N 1 0 249.310 1.777 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CCCNC2=O)c(O)c1 ZINC000050394624 384621465 /nfs/dbraw/zinc/62/14/65/384621465.db2.gz LYGSUGXQOILARF-PWSUYJOCSA-N 1 0 248.326 1.630 20 10 BDCDRO CC[C@@H]([NH2+]CCOCCO)c1ccccc1O ZINC000020198900 384597464 /nfs/dbraw/zinc/59/74/64/384597464.db2.gz RRKHTSQVELCDHR-GFCCVEGCSA-N 1 0 239.315 1.442 20 10 BDCDRO CC[C@H](C[NH2+]Cc1cc(OC)ccc1O)OC ZINC000290818269 384785481 /nfs/dbraw/zinc/78/54/81/384785481.db2.gz GQUKAZNLKDEDSK-LLVKDONJSA-N 1 0 239.315 1.915 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)C[S@@](C)=O)c1O ZINC000164410423 384982062 /nfs/dbraw/zinc/98/20/62/384982062.db2.gz XZLIAZLAGMVDIL-HWPZZCPQSA-N 1 0 241.356 1.557 20 10 BDCDRO CC(C)(CCO)C[NH2+]Cc1ccccc1O ZINC000164975054 385055916 /nfs/dbraw/zinc/05/59/16/385055916.db2.gz RTCJTKYMPJFRPA-UHFFFAOYSA-N 1 0 223.316 1.890 20 10 BDCDRO C[C@@H](O)CC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111422 385073149 /nfs/dbraw/zinc/07/31/49/385073149.db2.gz IMBXBDCOBBKTQQ-RKDXNWHRSA-N 1 0 227.279 1.953 20 10 BDCDRO C[C@H]([NH2+]CCN(C)C)c1cc(F)ccc1O ZINC000087111295 385074351 /nfs/dbraw/zinc/07/43/51/385074351.db2.gz YZYDETNOFAPVGI-VIFPVBQESA-N 1 0 226.295 1.744 20 10 BDCDRO C[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111360 385074787 /nfs/dbraw/zinc/07/47/87/385074787.db2.gz CECSZDLHXUAKEF-SFYZADRCSA-N 1 0 213.252 1.563 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H](C)[C@H](CO)C2)c1 ZINC000191721889 385319144 /nfs/dbraw/zinc/31/91/44/385319144.db2.gz LOQXAIQCHNDMTO-YPMHNXCESA-N 1 0 235.327 1.761 20 10 BDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000179582942 385476590 /nfs/dbraw/zinc/47/65/90/385476590.db2.gz WCFBBGSXOXONKM-CQSZACIVSA-N 1 0 249.310 1.777 20 10 BDCDRO C[N@H+](CCn1cccn1)Cc1cc(F)ccc1O ZINC000180146789 385507985 /nfs/dbraw/zinc/50/79/85/385507985.db2.gz YEHLOPZURKLOTM-UHFFFAOYSA-N 1 0 249.289 1.860 20 10 BDCDRO C[C@]1(O)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180244709 385515971 /nfs/dbraw/zinc/51/59/71/385515971.db2.gz YXVWMSDCOKTGFJ-LBPRGKRZSA-N 1 0 225.263 1.488 20 10 BDCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180861568 385552314 /nfs/dbraw/zinc/55/23/14/385552314.db2.gz DWKXXHQEYMKAFM-ZJUUUORDSA-N 1 0 239.290 1.734 20 10 BDCDRO CCOC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000269665725 385619913 /nfs/dbraw/zinc/61/99/13/385619913.db2.gz VRZZZAMNXPWHKF-GFCCVEGCSA-N 1 0 239.315 1.221 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000271353982 385821720 /nfs/dbraw/zinc/82/17/20/385821720.db2.gz QACQIIMMPJLHIZ-DZGCQCFKSA-N 1 0 248.370 1.955 20 10 BDCDRO C[C@@H](CO)[N@H+](C)Cc1cc(F)ccc1O ZINC000289179924 386269926 /nfs/dbraw/zinc/26/99/26/386269926.db2.gz AKDWHFRIQPHYGU-QMMMGPOBSA-N 1 0 213.252 1.344 20 10 BDCDRO C[C@@H]([NH2+]CCCCO)c1ccccc1O ZINC000193276906 387205265 /nfs/dbraw/zinc/20/52/65/387205265.db2.gz KYQDQONWGJXDTM-SNVBAGLBSA-N 1 0 209.289 1.815 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1 ZINC000372653889 387318623 /nfs/dbraw/zinc/31/86/23/387318623.db2.gz ZBMKFUGLBDBWAY-NEPJUHHUSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CO)c1 ZINC000035629075 387577119 /nfs/dbraw/zinc/57/71/19/387577119.db2.gz RIBKYERJTKUHEX-NXEZZACHSA-N 1 0 209.289 1.732 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]CC2COC2)c1 ZINC000528027359 387832493 /nfs/dbraw/zinc/83/24/93/387832493.db2.gz SEOMGIKZVYZELS-JTQLQIEISA-N 1 0 221.300 1.998 20 10 BDCDRO CCN(C)CC[NH2+]Cc1ccccc1O ZINC000054109789 169701652 /nfs/dbraw/zinc/70/16/52/169701652.db2.gz JREQDUMSIUWJNH-UHFFFAOYSA-N 1 0 208.305 1.434 20 10 BDCDRO C[C@@H](O)C[N@H+](C)Cc1c(O)cccc1Cl ZINC000291119791 398089929 /nfs/dbraw/zinc/08/99/29/398089929.db2.gz UTUQNQQEQUKVDO-MRVPVSSYSA-N 1 0 229.707 1.858 20 10 BDCDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]Cc1ccccc1O ZINC000163421384 168000596 /nfs/dbraw/zinc/00/05/96/168000596.db2.gz KOGUUWCKIQKSKL-RYUDHWBXSA-N 1 0 221.300 1.641 20 10 BDCDRO CC1(C)[C@H]([NH2+]Cc2cc(F)ccc2O)C[C@@H]1O ZINC000189967842 168001375 /nfs/dbraw/zinc/00/13/75/168001375.db2.gz RISCGNHGUPMMPW-NEPJUHHUSA-N 1 0 239.290 1.780 20 10 BDCDRO CN(C)C(=O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000037225378 172370549 /nfs/dbraw/zinc/37/05/49/172370549.db2.gz SQELQUVBBVQMMQ-UHFFFAOYSA-N 1 0 242.706 1.223 20 10 BDCDRO C[NH+]1CCC(C(=O)Nc2ccc(N)cc2)CC1 ZINC000237105843 172982379 /nfs/dbraw/zinc/98/23/79/172982379.db2.gz RXESYSMYHDIBKZ-UHFFFAOYSA-N 1 0 233.315 1.549 20 10 BDCDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000299580192 173024443 /nfs/dbraw/zinc/02/44/43/173024443.db2.gz SXNOQNAHWCFXDX-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO CN1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000116279495 173119903 /nfs/dbraw/zinc/11/99/03/173119903.db2.gz MMVAICGUUJDYGE-LLVKDONJSA-N 1 0 234.299 1.055 20 10 BDCDRO COCC[N@H+](C)Cc1cc(F)ccc1O ZINC000139746883 174280413 /nfs/dbraw/zinc/28/04/13/174280413.db2.gz BOUBBXWMJQCKRO-UHFFFAOYSA-N 1 0 213.252 1.610 20 10 BDCDRO COCC[N@H+](CCO)Cc1cc(C)ccc1O ZINC000093006097 174292992 /nfs/dbraw/zinc/29/29/92/174292992.db2.gz SSLHOFNRKBFUNF-UHFFFAOYSA-N 1 0 239.315 1.141 20 10 BDCDRO COCC[NH+](CCOC)Cc1ccccc1O ZINC000084827967 174296211 /nfs/dbraw/zinc/29/62/11/174296211.db2.gz GQSDAFWRKDRWJX-UHFFFAOYSA-N 1 0 239.315 1.487 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CCCOC2)c(O)c1 ZINC000103964516 175112313 /nfs/dbraw/zinc/11/23/13/175112313.db2.gz MFCOUBNVBWPNBV-NSHDSACASA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(N2CC[C@@H]([NH3+])C2)c(C)c1 ZINC000061567968 175139729 /nfs/dbraw/zinc/13/97/29/175139729.db2.gz COELTMGUPQVDTC-SNVBAGLBSA-N 1 0 206.289 1.541 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](CO)C2)c1 ZINC000271732850 175157639 /nfs/dbraw/zinc/15/76/39/175157639.db2.gz NMWQQESXPPMKTA-SNVBAGLBSA-N 1 0 237.299 1.215 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CN(C)C)c1 ZINC000168537300 175158516 /nfs/dbraw/zinc/15/85/16/175158516.db2.gz AXLSXXQBODIGJM-JTQLQIEISA-N 1 0 238.331 1.441 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)[C@H](C)OC)c1 ZINC000290941389 175158752 /nfs/dbraw/zinc/15/87/52/175158752.db2.gz PXTOBBFHUTZBGK-ZJUUUORDSA-N 1 0 239.315 1.914 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)[C@@H](C)OC)c1 ZINC000191696013 175159157 /nfs/dbraw/zinc/15/91/57/175159157.db2.gz PXTOBBFHUTZBGK-VHSXEESVSA-N 1 0 239.315 1.914 20 10 BDCDRO COc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC000211543973 175261362 /nfs/dbraw/zinc/26/13/62/175261362.db2.gz ZDJSDVBZXBWVKG-TXEJJXNPSA-N 1 0 249.310 1.764 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)c2cn[nH]c2)c1O ZINC000229884889 175267957 /nfs/dbraw/zinc/26/79/57/175267957.db2.gz ARZDLLFGEDVPAO-SECBINFHSA-N 1 0 247.298 1.975 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1CO ZINC000191718164 176301349 /nfs/dbraw/zinc/30/13/49/176301349.db2.gz MMPJQHKRSRBNEX-KOLCDFICSA-N 1 0 239.290 1.592 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1CO ZINC000191718327 176307511 /nfs/dbraw/zinc/30/75/11/176307511.db2.gz QAUVOJDQDHTZCI-PWSUYJOCSA-N 1 0 221.300 1.452 20 10 BDCDRO C[C@H]([NH2+]CC(=O)N(C)C)c1ccccc1O ZINC000037225422 176831548 /nfs/dbraw/zinc/83/15/48/176831548.db2.gz COTDUYIQPCTJMP-VIFPVBQESA-N 1 0 222.288 1.131 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1ccc(N(C)C)c(F)c1 ZINC000853249774 588728729 /nfs/dbraw/zinc/72/87/29/588728729.db2.gz VVJIPAYHGWCBNX-JTQLQIEISA-N 1 0 239.338 1.589 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1cccc(OC)c1O ZINC000853248721 588728764 /nfs/dbraw/zinc/72/87/64/588728764.db2.gz JDYRWGSAIPTUNW-SECBINFHSA-N 1 0 224.304 1.098 20 10 BDCDRO CCOc1ccc(O)c(CN[C@@H](C)C[NH2+]C)c1 ZINC000853250005 588729399 /nfs/dbraw/zinc/72/93/99/588729399.db2.gz XUZNSQOFSPEUAP-JTQLQIEISA-N 1 0 238.331 1.488 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1ccc(C)cc1O ZINC000854232554 588781364 /nfs/dbraw/zinc/78/13/64/588781364.db2.gz SKNSDZOCPDTFDI-GHMZBOCLSA-N 1 0 222.332 1.959 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@@H]1CCc2cccc(O)c21 ZINC000854232469 588781610 /nfs/dbraw/zinc/78/16/10/588781610.db2.gz QUBXYVCTTFBWAG-GXSJLCMTSA-N 1 0 220.316 1.577 20 10 BDCDRO CCOc1ccc(C[NH2+][C@H](C)COC)c(O)c1 ZINC000725844033 582897857 /nfs/dbraw/zinc/89/78/57/582897857.db2.gz JYACYNASOVQBMK-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@@H](C)CO)c1O ZINC000894317266 583420897 /nfs/dbraw/zinc/42/08/97/583420897.db2.gz XHWAIIJNOIMFND-VIFPVBQESA-N 1 0 225.288 1.180 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c(O)c1 ZINC000895645378 583700842 /nfs/dbraw/zinc/70/08/42/583700842.db2.gz PYCQMJAAEYQKKL-AAEUAGOBSA-N 1 0 219.284 1.267 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)c1O ZINC000895781389 583728571 /nfs/dbraw/zinc/72/85/71/583728571.db2.gz QYLBGAYKRJDHOT-YUTCNCBUSA-N 1 0 247.338 1.903 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2COC[C@H]2C)c(O)c1 ZINC000896733138 583828015 /nfs/dbraw/zinc/82/80/15/583828015.db2.gz NCEAHIMOJWIHPD-ZYHUDNBSSA-N 1 0 221.300 1.825 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2C[C@H](CO)C2)c1 ZINC000897357048 583935834 /nfs/dbraw/zinc/93/58/34/583935834.db2.gz FGFMMKMJCVQKKO-HOMQSWHASA-N 1 0 237.299 1.261 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000898188124 584094303 /nfs/dbraw/zinc/09/43/03/584094303.db2.gz KGDUNVCQJLOXQC-AAEUAGOBSA-N 1 0 239.290 1.605 20 10 BDCDRO CCOc1cccc(C[NH2+][C@H](C)[C@H](C)[NH3+])c1O ZINC000841076743 584756104 /nfs/dbraw/zinc/75/61/04/584756104.db2.gz NXVJBZRARVVDOQ-VHSXEESVSA-N 1 0 238.331 1.616 20 10 BDCDRO CCOc1cccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])c1O ZINC000841076744 584756123 /nfs/dbraw/zinc/75/61/23/584756123.db2.gz NXVJBZRARVVDOQ-ZJUUUORDSA-N 1 0 238.331 1.616 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904381866 584877348 /nfs/dbraw/zinc/87/73/48/584877348.db2.gz WGNCULDIXYUEBO-SMDDNHRTSA-N 1 0 246.354 1.852 20 10 BDCDRO CN(C(=O)[C@H]1CC[C@@H]([NH3+])CC1)c1ccc(N)cc1 ZINC000877076855 584889673 /nfs/dbraw/zinc/88/96/73/584889673.db2.gz SERKMFQFDYTYRQ-PHIMTYICSA-N 1 0 247.342 1.749 20 10 BDCDRO C[NH2+]C[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877079318 584889856 /nfs/dbraw/zinc/88/98/56/584889856.db2.gz XNUKTTXWEIFNPB-SECBINFHSA-N 1 0 221.304 1.087 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2cc(F)ccc2O)C1 ZINC000825315400 585029266 /nfs/dbraw/zinc/02/92/66/585029266.db2.gz AAJXTUISEHYUCD-SKDRFNHKSA-N 1 0 239.290 1.734 20 10 BDCDRO COCC1(C)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000839144488 585092137 /nfs/dbraw/zinc/09/21/37/585092137.db2.gz WTSQERFQCUFOCH-UHFFFAOYSA-N 1 0 239.290 2.000 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC(C)(CO)C2)c1 ZINC000839144852 585092184 /nfs/dbraw/zinc/09/21/84/585092184.db2.gz BIUYQTLOPNFFBD-UHFFFAOYSA-N 1 0 221.300 1.515 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCOC1)c1c([O-])cccc1F ZINC000886554749 585160532 /nfs/dbraw/zinc/16/05/32/585160532.db2.gz BICCFANHUVTQOJ-RKDXNWHRSA-N 1 0 225.263 1.971 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)C2CC(O)C2)c1 ZINC000761222538 585412455 /nfs/dbraw/zinc/41/24/55/585412455.db2.gz KMONJGYAPGSHPF-UHFFFAOYSA-N 1 0 221.300 1.656 20 10 BDCDRO COc1cccc(O)c1C[NH+]1CCC(O)CC1 ZINC000768181894 585533546 /nfs/dbraw/zinc/53/35/46/585533546.db2.gz AJGOJMJYCKJKRT-UHFFFAOYSA-N 1 0 237.299 1.358 20 10 BDCDRO OCC[N@@H+](Cc1cc(F)ccc1O)CC1CC1 ZINC000778999783 585743846 /nfs/dbraw/zinc/74/38/46/585743846.db2.gz QVWAOQIHDZDPII-UHFFFAOYSA-N 1 0 239.290 1.736 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CCO ZINC000779345788 585752133 /nfs/dbraw/zinc/75/21/33/585752133.db2.gz CXXURTOKDXTTRC-GFCCVEGCSA-N 1 0 236.359 1.922 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000785765158 585880184 /nfs/dbraw/zinc/88/01/84/585880184.db2.gz SLHXKDRMSNCWFD-SMDDNHRTSA-N 1 0 234.343 1.565 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000788266903 585920427 /nfs/dbraw/zinc/92/04/27/585920427.db2.gz CXUXWLXMQHACHS-CMPLNLGQSA-N 1 0 221.300 1.656 20 10 BDCDRO C[C@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000788435040 585923105 /nfs/dbraw/zinc/92/31/05/585923105.db2.gz DISOIGPMKPEQEV-CYBMUJFWSA-N 1 0 239.290 1.878 20 10 BDCDRO CC[C@H]1CC[N@@H+]1Cc1cc2c(cc1O)OC[C@@H]2O ZINC000793820153 586027086 /nfs/dbraw/zinc/02/70/86/586027086.db2.gz KLLDDXKGDQJCTA-GWCFXTLKSA-N 1 0 249.310 1.802 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)O3)c1O ZINC000802657685 586308823 /nfs/dbraw/zinc/30/88/23/586308823.db2.gz NNBKDLAUKCROMC-BETUJISGSA-N 1 0 249.310 1.300 20 10 BDCDRO CC(=O)[C@](C)(O)C[N@H+](C)Cc1ccccc1O ZINC000809576430 586507855 /nfs/dbraw/zinc/50/78/55/586507855.db2.gz VUCKVWZWIOMBGI-CYBMUJFWSA-N 1 0 237.299 1.164 20 10 BDCDRO Cc1cc(C[NH2+][C@H](CO)C2CC2)ccc1N(C)C ZINC000815090161 586665633 /nfs/dbraw/zinc/66/56/33/586665633.db2.gz JIAUDQMCTFIRQL-CQSZACIVSA-N 1 0 248.370 1.922 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC3(C2)CCOC3)cc1 ZINC000816671641 586753633 /nfs/dbraw/zinc/75/36/33/586753633.db2.gz DJSRWDGUOPGSDX-UHFFFAOYSA-N 1 0 246.354 1.975 20 10 BDCDRO C[C@@H]([NH2+]CC1(CC(N)=O)CC1)c1ccccc1O ZINC000817586750 586812696 /nfs/dbraw/zinc/81/26/96/586812696.db2.gz RUNZFEFKRYHTQY-SNVBAGLBSA-N 1 0 248.326 1.698 20 10 BDCDRO C[C@H]([NH2+]CCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817938957 586844568 /nfs/dbraw/zinc/84/45/68/586844568.db2.gz WHEPHJIQUBHGCT-ZETCQYMHSA-N 1 0 230.258 1.670 20 10 BDCDRO C[C@@H](NC[C@H]1CCC[NH2+]1)c1cc(F)ccc1O ZINC000817951621 586847669 /nfs/dbraw/zinc/84/76/69/586847669.db2.gz HOSVXMSNMAKAKG-MWLCHTKSSA-N 1 0 238.306 1.934 20 10 BDCDRO CC[C@@H](NC1C[NH2+]C1)c1ccccc1O ZINC000817955697 586849580 /nfs/dbraw/zinc/84/95/80/586849580.db2.gz FQJQJHBOIYXGHV-LLVKDONJSA-N 1 0 206.289 1.405 20 10 BDCDRO Cc1ccc(O)c([C@H](C)NC2C[NH2+]C2)c1 ZINC000817955787 586850158 /nfs/dbraw/zinc/85/01/58/586850158.db2.gz HTHDQTOLIFSDED-VIFPVBQESA-N 1 0 206.289 1.323 20 10 BDCDRO C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817964710 586853784 /nfs/dbraw/zinc/85/37/84/586853784.db2.gz FNZMDIPFLNRYLO-MRVPVSSYSA-N 1 0 224.279 1.401 20 10 BDCDRO CC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817964944 586853792 /nfs/dbraw/zinc/85/37/92/586853792.db2.gz KBSKADQNZIZHQQ-GFCCVEGCSA-N 1 0 238.306 1.791 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN)c1 ZINC000817970034 586855999 /nfs/dbraw/zinc/85/59/99/586855999.db2.gz JXHWLARLVXZPLP-IUCAKERBSA-N 1 0 224.304 1.399 20 10 BDCDRO C[C@H]([NH3+])C[NH2+][C@@H](C)c1cc([N+](=O)[O-])ccc1[O-] ZINC000817972906 586858686 /nfs/dbraw/zinc/85/86/86/586858686.db2.gz PJHRPWAXMIJZCF-YUMQZZPRSA-N 1 0 239.275 1.298 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817977118 586860443 /nfs/dbraw/zinc/86/04/43/586860443.db2.gz BQNXHWPDZLZDLP-VGMNWLOBSA-N 1 0 226.295 1.918 20 10 BDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1C ZINC000819077705 586929119 /nfs/dbraw/zinc/92/91/19/586929119.db2.gz NLRAVTNNFRVQPY-AWEZNQCLSA-N 1 0 236.359 1.922 20 10 BDCDRO C[NH+](C)CC1(C(=O)NCc2ccccc2O)CC1 ZINC000821055597 587091462 /nfs/dbraw/zinc/09/14/62/587091462.db2.gz NVIZIUNYNOGACI-UHFFFAOYSA-N 1 0 248.326 1.350 20 10 BDCDRO CCOc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c(O)c1 ZINC000825256777 587311271 /nfs/dbraw/zinc/31/12/71/587311271.db2.gz GNAWYLWDUCHXAA-PHIMTYICSA-N 1 0 237.299 1.404 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2([C@@H](C)O)CC2)c1 ZINC000827585378 587390317 /nfs/dbraw/zinc/39/03/17/587390317.db2.gz HHASSAZRDRCADM-SNVBAGLBSA-N 1 0 221.300 1.704 20 10 BDCDRO C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1O ZINC000827959822 587413685 /nfs/dbraw/zinc/41/36/85/587413685.db2.gz GBWPHFONBHPXLS-UWVGGRQHSA-N 1 0 236.315 1.520 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[C@H](C)[NH3+] ZINC000829764538 587514487 /nfs/dbraw/zinc/51/44/87/587514487.db2.gz OFCUCJHXMLCCKJ-NSHDSACASA-N 1 0 249.358 1.415 20 10 BDCDRO C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244124 587652184 /nfs/dbraw/zinc/65/21/84/587652184.db2.gz LFXGPATUEFHMLQ-GFCCVEGCSA-N 1 0 233.315 1.692 20 10 BDCDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000834460319 587755682 /nfs/dbraw/zinc/75/56/82/587755682.db2.gz GMUMQLUXXLRPIH-JQWIXIFHSA-N 1 0 247.342 1.007 20 10 BDCDRO CN(C)c1ccc(/C=C/CN(C)CC(N)=O)cc1 ZINC000835025746 587779011 /nfs/dbraw/zinc/77/90/11/587779011.db2.gz MOHUWNDIYZVTBQ-SNAWJCMRSA-N 1 0 247.342 1.183 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000840826807 587923518 /nfs/dbraw/zinc/92/35/18/587923518.db2.gz WEQDVSWZTPHSTD-NTZNESFSSA-N 1 0 249.310 1.383 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CC(C)(C)O ZINC000840934361 587930475 /nfs/dbraw/zinc/93/04/75/587930475.db2.gz PJMYUTINEVCJBX-UHFFFAOYSA-N 1 0 236.359 1.922 20 10 BDCDRO [O-]c1c(Cl)cccc1C[NH2+]C1CC[NH2+]CC1 ZINC000841026829 587935746 /nfs/dbraw/zinc/93/57/46/587935746.db2.gz RNAULVIXCJWGEQ-UHFFFAOYSA-N 1 0 240.734 1.887 20 10 BDCDRO COc1cccc(O)c1CNC[C@H]([NH3+])C(C)C ZINC000841028903 587936154 /nfs/dbraw/zinc/93/61/54/587936154.db2.gz KQWJTUHUWBQFQU-NSHDSACASA-N 1 0 238.331 1.474 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](CN)C2CC2)c1 ZINC000841027961 587936615 /nfs/dbraw/zinc/93/66/15/587936615.db2.gz HUWPCYBLNFQDCC-LBPRGKRZSA-N 1 0 236.315 1.228 20 10 BDCDRO CC[NH2+]CCNC/C=C/c1ccc(N(C)C)cc1 ZINC000841036656 587937758 /nfs/dbraw/zinc/93/77/58/587937758.db2.gz UYDOKHRSJAQWSV-AATRIKPKSA-N 1 0 247.386 1.965 20 10 BDCDRO CC(C)C[C@H](CN)[NH2+]Cc1ccccc1O ZINC000841037602 587938055 /nfs/dbraw/zinc/93/80/55/587938055.db2.gz BBKKJXNLUBQRAL-GFCCVEGCSA-N 1 0 222.332 1.855 20 10 BDCDRO CN(C)c1ccc([C@H](N)C[NH2+]CC2CC2)cc1 ZINC000841042077 587938601 /nfs/dbraw/zinc/93/86/01/587938601.db2.gz HKJLFBXWGXPBIJ-CQSZACIVSA-N 1 0 233.359 1.752 20 10 BDCDRO CCOc1ccc(O)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000841044815 587939195 /nfs/dbraw/zinc/93/91/95/587939195.db2.gz IWTQEEZARWYBKW-NSHDSACASA-N 1 0 236.315 1.242 20 10 BDCDRO Cc1cccc(CN[C@H]2CC[NH2+]C2)c1O ZINC000841045633 587939224 /nfs/dbraw/zinc/93/92/24/587939224.db2.gz ZWYXNAGDOWFGML-NSHDSACASA-N 1 0 206.289 1.152 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC[C@@H]([NH3+])C1CC1 ZINC000841052138 587939667 /nfs/dbraw/zinc/93/96/67/587939667.db2.gz ZVPPVJVBEIAGOK-OAHLLOKOSA-N 1 0 247.386 1.888 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC[C@H]([NH3+])C1CC1 ZINC000841052137 587939867 /nfs/dbraw/zinc/93/98/67/587939867.db2.gz ZVPPVJVBEIAGOK-HNNXBMFYSA-N 1 0 247.386 1.888 20 10 BDCDRO C[C@H](CC[NH3+])[NH2+]Cc1cccc(F)c1[O-] ZINC000841052274 587940298 /nfs/dbraw/zinc/94/02/98/587940298.db2.gz SQRXWZDGQZUXDI-MRVPVSSYSA-N 1 0 212.268 1.358 20 10 BDCDRO C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(N(C)C)cc1 ZINC000841059396 587940829 /nfs/dbraw/zinc/94/08/29/587940829.db2.gz RMGNIIKWWRGANC-SWLSCSKDSA-N 1 0 247.386 1.840 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1ccc(OC)c(C)c1 ZINC000841070118 587942361 /nfs/dbraw/zinc/94/23/61/587942361.db2.gz LPCHJGXOVQAGKX-GFCCVEGCSA-N 1 0 222.332 1.831 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H](CC[NH3+])C(F)F)c1 ZINC000841074327 587943596 /nfs/dbraw/zinc/94/35/96/587943596.db2.gz NUSNUHZRUUMQQD-JTQLQIEISA-N 1 0 244.285 1.773 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@@H](C)[C@@H](C)[NH3+] ZINC000841076956 587943793 /nfs/dbraw/zinc/94/37/93/587943793.db2.gz UUCLIABKEAKQTN-NEPJUHHUSA-N 1 0 235.375 1.886 20 10 BDCDRO CC[C@H]([NH3+])CNCc1cc(F)ccc1O ZINC000841072587 587944342 /nfs/dbraw/zinc/94/43/42/587944342.db2.gz QOVDBSMWMFGKLU-JTQLQIEISA-N 1 0 212.268 1.358 20 10 BDCDRO Cc1cccc(CN[C@@H](CC[NH3+])C(F)F)c1O ZINC000841075067 587944452 /nfs/dbraw/zinc/94/44/52/587944452.db2.gz VLFSONPPIXEMGH-JTQLQIEISA-N 1 0 244.285 1.773 20 10 BDCDRO Cc1cccc(CN[C@H]2CC[NH2+]C2(C)C)c1O ZINC000841087256 587946084 /nfs/dbraw/zinc/94/60/84/587946084.db2.gz SJGHCBFQEVFPGO-LBPRGKRZSA-N 1 0 234.343 1.931 20 10 BDCDRO Cc1cc(O)c(CN2CC[C@H]([NH3+])C2)cc1C ZINC000843047349 588074866 /nfs/dbraw/zinc/07/48/66/588074866.db2.gz RKRZXGSWNKEHDR-LBPRGKRZSA-N 1 0 220.316 1.542 20 10 BDCDRO Cc1cc(O)c(CN2CC[C@H]([NH3+])C2)c(Cl)c1 ZINC000843047554 588075998 /nfs/dbraw/zinc/07/59/98/588075998.db2.gz WBFMJQCLPKFGKP-VIFPVBQESA-N 1 0 240.734 1.887 20 10 BDCDRO Cc1cccc(CN2CCC[C@@H]([NH3+])C2)c1O ZINC000843043719 588076189 /nfs/dbraw/zinc/07/61/89/588076189.db2.gz FBFXYOVHQGEWQD-GFCCVEGCSA-N 1 0 220.316 1.624 20 10 BDCDRO [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843048364 588076268 /nfs/dbraw/zinc/07/62/68/588076268.db2.gz MCUKPSGZWIGNTN-VIFPVBQESA-N 1 0 224.279 1.312 20 10 BDCDRO CN(C)c1ccc(/C=C\CN2CC[NH2+]CC2)cc1 ZINC000843046579 588076300 /nfs/dbraw/zinc/07/63/00/588076300.db2.gz ZWQYEAJWPKGNKK-ARJAWSKDSA-N 1 0 245.370 1.671 20 10 BDCDRO C[C@@H]1CN(Cc2cccc(F)c2O)C[C@H](C)[NH2+]1 ZINC000843048943 588077285 /nfs/dbraw/zinc/07/72/85/588077285.db2.gz BGZBMWVXYXRMAW-AOOOYVTPSA-N 1 0 238.306 1.714 20 10 BDCDRO C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843058754 588078212 /nfs/dbraw/zinc/07/82/12/588078212.db2.gz XNTFKSGCMNVVJB-NXEZZACHSA-N 1 0 238.306 1.700 20 10 BDCDRO CN(C)c1ccc(CN(C)C2C[NH2+]C2)cc1F ZINC000843124540 588083312 /nfs/dbraw/zinc/08/33/12/588083312.db2.gz GUSXMHFIHIKMPT-UHFFFAOYSA-N 1 0 237.322 1.295 20 10 BDCDRO C[C@H]1CN(Cc2cccc(F)c2O)[C@@H](C)C[NH2+]1 ZINC000843120083 588083919 /nfs/dbraw/zinc/08/39/19/588083919.db2.gz VJHDWKKQDMBRSF-UWVGGRQHSA-N 1 0 238.306 1.714 20 10 BDCDRO Nc1ccc(CC(=O)NCCCCCC[NH3+])cc1 ZINC000843505203 588117240 /nfs/dbraw/zinc/11/72/40/588117240.db2.gz CYNCQUWUFATBKZ-UHFFFAOYSA-N 1 0 249.358 1.447 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]Cc2cc[nH]n2)c1O ZINC000846148162 588258823 /nfs/dbraw/zinc/25/88/23/588258823.db2.gz XUFGKJLBMGEZGO-VIFPVBQESA-N 1 0 247.298 1.975 20 10 BDCDRO Nc1ccc(N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848715185 588407978 /nfs/dbraw/zinc/40/79/78/588407978.db2.gz PSWZBZUJYRCSDI-CMPLNLGQSA-N 1 0 205.305 1.951 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c1O ZINC000848905980 588418898 /nfs/dbraw/zinc/41/88/98/588418898.db2.gz OTRSUNDXEVTQFS-ZWNOBZJWSA-N 1 0 235.327 1.910 20 10 BDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2C(N)=O)c1O ZINC000848915615 588420214 /nfs/dbraw/zinc/42/02/14/588420214.db2.gz KNJFUGRVAFCGPP-GFCCVEGCSA-N 1 0 248.326 1.404 20 10 BDCDRO COc1ccc(O)c(CNC(=[NH2+])NC2CCC2)c1 ZINC000849009067 588433831 /nfs/dbraw/zinc/43/38/31/588433831.db2.gz YFKKONHXIPFOKG-UHFFFAOYSA-N 1 0 249.314 1.567 20 10 BDCDRO [NH2+]=C(NCc1ccccc1O)Nc1ccccn1 ZINC000849057995 588451944 /nfs/dbraw/zinc/45/19/44/588451944.db2.gz JKTXMSZOEZVIHV-UHFFFAOYSA-N 1 0 242.282 1.924 20 10 BDCDRO [NH3+]C1(CNCc2ccc3c(c2)CCO3)CCCC1 ZINC000849350040 588474785 /nfs/dbraw/zinc/47/47/85/588474785.db2.gz ODFZXWWDMVXGDU-UHFFFAOYSA-N 1 0 246.354 1.983 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C/C=C/CO ZINC000850358033 588539366 /nfs/dbraw/zinc/53/93/66/588539366.db2.gz ZRFDDFAJGGPTQD-NSCUHMNNSA-N 1 0 223.272 1.039 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](O)C2)c(Cl)c1 ZINC000850418017 588544942 /nfs/dbraw/zinc/54/49/42/588544942.db2.gz VOUVYSOOZJOUCD-KYZUINATSA-N 1 0 241.718 1.967 20 10 BDCDRO CCc1noc(CN(C)Cc2ccccc2O)n1 ZINC000109769631 588592436 /nfs/dbraw/zinc/59/24/36/588592436.db2.gz BZUFTTDMSFORIV-UHFFFAOYSA-N 1 0 247.298 1.970 20 10 BDCDRO O=C(C=C1CC[NH2+]CC1)NCc1ccccc1O ZINC000852882795 588711330 /nfs/dbraw/zinc/71/13/30/588711330.db2.gz AZCWRZFKMTVGKK-UHFFFAOYSA-N 1 0 246.310 1.318 20 10 BDCDRO COc1cccc(CN[C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487042 589293848 /nfs/dbraw/zinc/29/38/48/589293848.db2.gz JGZPVZNOANXYKS-GXSJLCMTSA-N 1 0 236.315 1.241 20 10 BDCDRO CCN(CC[NH3+])Cc1cc(Cl)cc(F)c1[O-] ZINC000863644067 589307145 /nfs/dbraw/zinc/30/71/45/589307145.db2.gz ISUOSQCHPZNFRI-UHFFFAOYSA-N 1 0 246.713 1.965 20 10 BDCDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(N(C)C)cc1 ZINC000864450601 589364395 /nfs/dbraw/zinc/36/43/95/589364395.db2.gz RFFORTBKPRJUPR-GWCFXTLKSA-N 1 0 246.358 1.775 20 10 BDCDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccccc1O ZINC000864454068 589366188 /nfs/dbraw/zinc/36/61/88/589366188.db2.gz STLFRFMULZNUIT-SCZZXKLOSA-N 1 0 219.288 1.415 20 10 BDCDRO CC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988214 589706839 /nfs/dbraw/zinc/70/68/39/589706839.db2.gz JCGOGVCBXZYIJT-PSASIEDQSA-N 1 0 222.288 1.307 20 10 BDCDRO C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1ccccc1O ZINC000870988431 589706900 /nfs/dbraw/zinc/70/69/00/589706900.db2.gz PDNNQAGSIKKXDJ-VHSXEESVSA-N 1 0 236.315 1.697 20 10 BDCDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000870988045 589707185 /nfs/dbraw/zinc/70/71/85/589707185.db2.gz FAIVLJKMSZMUHI-CABZTGNLSA-N 1 0 236.315 1.553 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000870988335 589707282 /nfs/dbraw/zinc/70/72/82/589707282.db2.gz MTASIQKVRWDBFL-UMNHJUIQSA-N 1 0 248.326 1.567 20 10 BDCDRO Cc1cccc(C[NH2+]Cc2ccn(C)n2)c1O ZINC000124865149 590095101 /nfs/dbraw/zinc/09/51/01/590095101.db2.gz LRFLUWIFZKJJPI-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO Nc1ccc(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1 ZINC000876504770 590204141 /nfs/dbraw/zinc/20/41/41/590204141.db2.gz WFNLQIGVOREDEZ-DZHRUPLWSA-N 1 0 245.326 1.763 20 10 BDCDRO CNC(=O)CC[N@H+](C)Cc1ccc(C)cc1O ZINC000876685796 590230239 /nfs/dbraw/zinc/23/02/39/590230239.db2.gz VPHHIYGROSMNRF-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCNC(=O)C1CC1 ZINC000876892782 590254861 /nfs/dbraw/zinc/25/48/61/590254861.db2.gz TVLAKHJCHIYGBT-UHFFFAOYSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2ccnn2C)c(O)c1 ZINC000876929388 590258127 /nfs/dbraw/zinc/25/81/27/590258127.db2.gz IOBRPEHJSDRQAN-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)C(C)(C)O)c(O)c1 ZINC000876996295 590266565 /nfs/dbraw/zinc/26/65/65/590266565.db2.gz RJOHMPNQQUZQIS-JTQLQIEISA-N 1 0 223.316 1.950 20 10 BDCDRO CC[S@@](=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877041836 590273599 /nfs/dbraw/zinc/27/35/99/590273599.db2.gz PIGYRAFWOYOVIW-MRXNPFEDSA-N 1 0 241.356 1.559 20 10 BDCDRO COC[C@@H](CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877050409 590274705 /nfs/dbraw/zinc/27/47/05/590274705.db2.gz ZQQXPGJSUOJOCX-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CCC(=O)N(C)C2)c(O)c1 ZINC000877053143 590275155 /nfs/dbraw/zinc/27/51/55/590275155.db2.gz DVQFQGLWTLNEGN-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO CC(C)[NH2+]CC(=O)N(C)c1ccc(N)cc1 ZINC000877074899 590278322 /nfs/dbraw/zinc/27/83/22/590278322.db2.gz VBRAHAVGFJYINX-UHFFFAOYSA-N 1 0 221.304 1.230 20 10 BDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)N(C)c2ccc(N)cc2)C1 ZINC000877076703 590278805 /nfs/dbraw/zinc/27/88/05/590278805.db2.gz UDDXLQQQDSQLFI-MFKMUULPSA-N 1 0 247.342 1.620 20 10 BDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877076929 590278829 /nfs/dbraw/zinc/27/88/29/590278829.db2.gz XHOHEXKVNJZYNP-QWHCGFSZSA-N 1 0 247.342 1.620 20 10 BDCDRO CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)c1ccc(N)cc1 ZINC000877077684 590279355 /nfs/dbraw/zinc/27/93/55/590279355.db2.gz QVYSMSKSXUFYON-OCCSQVGLSA-N 1 0 245.326 1.231 20 10 BDCDRO CCC(CC)(C[NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877077638 590279373 /nfs/dbraw/zinc/27/93/73/590279373.db2.gz POWLKSAQHZDXAY-UHFFFAOYSA-N 1 0 249.358 1.997 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2ccn(C)n2)c(O)c1 ZINC000877125280 590289873 /nfs/dbraw/zinc/28/98/73/590289873.db2.gz JNSFXSVPVOFUNW-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO COC[C@@H](C[NH2+]Cc1ccc(C)cc1O)OC ZINC000877188631 590299064 /nfs/dbraw/zinc/29/90/64/590299064.db2.gz DBRNTNRTBHYXBO-GFCCVEGCSA-N 1 0 239.315 1.452 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccccc1O ZINC000877255890 590304125 /nfs/dbraw/zinc/30/41/25/590304125.db2.gz JPOIIGBFMPROBM-SPFNVWMYSA-N 1 0 246.310 1.320 20 10 BDCDRO C[C@@H](NC(=O)C1([NH3+])CC1)c1ccccc1O ZINC000877255301 590304401 /nfs/dbraw/zinc/30/44/01/590304401.db2.gz CCUGLJRTHSHKNP-MRVPVSSYSA-N 1 0 220.272 1.061 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c(O)c1 ZINC000877493069 590339589 /nfs/dbraw/zinc/33/95/89/590339589.db2.gz DAESLCHYQHCJNK-CQSZACIVSA-N 1 0 248.326 1.398 20 10 BDCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)OC)c(O)c1 ZINC000877493865 590340579 /nfs/dbraw/zinc/34/05/79/590340579.db2.gz PRSUEIAYVYYFIK-NXEZZACHSA-N 1 0 239.315 1.914 20 10 BDCDRO Cc1ccc(C[N@H+](C)CCCO)c(O)c1 ZINC000877498247 590341271 /nfs/dbraw/zinc/34/12/71/590341271.db2.gz AESNRYTYYFPVOH-UHFFFAOYSA-N 1 0 209.289 1.515 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](CF)C1 ZINC000877588033 590369423 /nfs/dbraw/zinc/36/94/23/590369423.db2.gz VDGGKMYDDRRWPZ-LLVKDONJSA-N 1 0 239.290 1.871 20 10 BDCDRO CNC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877596601 590370085 /nfs/dbraw/zinc/37/00/85/590370085.db2.gz UWENRDFQRUHZST-NSHDSACASA-N 1 0 248.326 1.269 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(C)(C(N)=O)C1 ZINC000877603103 590371731 /nfs/dbraw/zinc/37/17/31/590371731.db2.gz FIQZMOBWGXTVMH-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO CO[C@](C)(CO)C[NH2+]Cc1c(C)cccc1O ZINC000877617133 590374919 /nfs/dbraw/zinc/37/49/19/590374919.db2.gz LMEQJFDJIWVQAY-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO COC(=O)C1(C[NH2+][C@@H](C)c2ccccc2O)CC1 ZINC000879650828 590843441 /nfs/dbraw/zinc/84/34/41/590843441.db2.gz SAMRMIONVJDZQL-JTQLQIEISA-N 1 0 249.310 1.996 20 10 BDCDRO C[C@H]([NH2+]CC(=O)N1CCC1)c1ccccc1O ZINC000879651725 590843455 /nfs/dbraw/zinc/84/34/55/590843455.db2.gz IQTGZUPRBNGPMF-JTQLQIEISA-N 1 0 234.299 1.275 20 10 BDCDRO CN(CC[NH3+])Cc1c(O)cccc1Cl ZINC000128321604 590988734 /nfs/dbraw/zinc/98/87/34/590988734.db2.gz BUCOYWANFYBZFO-UHFFFAOYSA-N 1 0 214.696 1.436 20 10 BDCDRO COc1ccc(C[NH2+]CCN(C)OC)cc1C ZINC000883172538 591562075 /nfs/dbraw/zinc/56/20/75/591562075.db2.gz KRDPWFIAMCFUKE-UHFFFAOYSA-N 1 0 238.331 1.586 20 10 BDCDRO CN(C)c1ccc(CN2CCC[C@@H]2C[NH3+])cc1 ZINC000131377443 591605958 /nfs/dbraw/zinc/60/59/58/591605958.db2.gz NNMLTIGJXBQIBN-CQSZACIVSA-N 1 0 233.359 1.676 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884009484 591796856 /nfs/dbraw/zinc/79/68/56/591796856.db2.gz XVQLTBCKLFTYQP-NSHDSACASA-N 1 0 219.288 1.335 20 10 BDCDRO CCn1ccnc1C[NH2+]Cc1ccccc1O ZINC000134294522 591912489 /nfs/dbraw/zinc/91/24/89/591912489.db2.gz QQQKZSYWYHZEQA-UHFFFAOYSA-N 1 0 231.299 1.898 20 10 BDCDRO COc1ccc(O)c(CNC(=[NH2+])NCC2CC2)c1 ZINC000887355189 592488021 /nfs/dbraw/zinc/48/80/21/592488021.db2.gz HCMIZNIXKPRZMT-UHFFFAOYSA-N 1 0 249.314 1.425 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000300046287 592500958 /nfs/dbraw/zinc/50/09/58/592500958.db2.gz SPGDHDXYOKFEFO-GFCCVEGCSA-N 1 0 221.300 1.921 20 10 BDCDRO CC[S@@](=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226609301 635437086 /nfs/dbraw/zinc/43/70/86/635437086.db2.gz ZMBPGEVHABGXQB-MRXNPFEDSA-N 1 0 245.319 1.390 20 10 BDCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@@H]2CNOC2)c(O)c1 ZINC000925862322 635559040 /nfs/dbraw/zinc/55/90/40/635559040.db2.gz OGYPTPXODZJPMT-GHMZBOCLSA-N 1 0 236.315 1.563 20 10 BDCDRO C[NH2+]CCCN(C)Cc1cc(F)ccc1O ZINC000234369299 631474189 /nfs/dbraw/zinc/47/41/89/631474189.db2.gz KCYWJKJXWIGFBY-UHFFFAOYSA-N 1 0 226.295 1.573 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1c(O)cccc1Cl ZINC000309052958 631828214 /nfs/dbraw/zinc/82/82/14/631828214.db2.gz QWNWNEWMQKKWDT-QMMMGPOBSA-N 1 0 228.723 1.825 20 10 BDCDRO Cc1cc(Cl)cc([C@H](C)[NH2+]CCO)c1O ZINC000309115181 631887024 /nfs/dbraw/zinc/88/70/24/631887024.db2.gz LGSHPHFRIOKRFP-QMMMGPOBSA-N 1 0 229.707 1.997 20 10 BDCDRO COCC1([NH2+]Cc2ccccc2O)CC1 ZINC000308864786 631988515 /nfs/dbraw/zinc/98/85/15/631988515.db2.gz AAXLAEZFTPQDSG-UHFFFAOYSA-N 1 0 207.273 1.661 20 10 BDCDRO CCC[N@H+](CC(N)=O)Cc1cc(F)ccc1O ZINC000310446747 632741737 /nfs/dbraw/zinc/74/17/37/632741737.db2.gz UOJDMLJFYCYGNX-UHFFFAOYSA-N 1 0 240.278 1.229 20 10 BDCDRO C[C@H]1CN(Cc2cc(F)ccc2O)[C@@H](C)C[NH2+]1 ZINC000235639689 632806844 /nfs/dbraw/zinc/80/68/44/632806844.db2.gz DNWZVPBYUJOPDC-UWVGGRQHSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1cccc(C[NH2+]CCC[S@](C)=O)c1O ZINC000162663226 633035692 /nfs/dbraw/zinc/03/56/92/633035692.db2.gz PMNJWRTZAFMWDM-MRXNPFEDSA-N 1 0 241.356 1.559 20 10 BDCDRO C[NH2+][C@H]1CCCN(Cc2ccc(N(C)C)cc2)C1 ZINC000053201413 634073742 /nfs/dbraw/zinc/07/37/42/634073742.db2.gz UCNVMAMRPWKUEV-AWEZNQCLSA-N 1 0 247.386 1.936 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)CCO)c1O ZINC000162866397 635143839 /nfs/dbraw/zinc/14/38/39/635143839.db2.gz HJNDEJBLOWGZMT-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO c1cc2c(cc1CNC[C@@H]1CCC[NH2+]1)CCCO2 ZINC000258919087 635224475 /nfs/dbraw/zinc/22/44/75/635224475.db2.gz OGDWVXKKFOTRQL-AWEZNQCLSA-N 1 0 246.354 1.853 20 10 BDCDRO OCCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258998224 635230275 /nfs/dbraw/zinc/23/02/75/635230275.db2.gz MEMUEGJECZFOBJ-UHFFFAOYSA-N 1 0 235.327 1.874 20 10 BDCDRO Cc1cc(Cl)cc(CN2CC[NH2+]CC2)c1O ZINC000082654630 636310249 /nfs/dbraw/zinc/31/02/49/636310249.db2.gz YUPPKGHGKMQFES-UHFFFAOYSA-N 1 0 240.734 1.759 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCc2cccc(O)c21)C(=O)N(C)C ZINC000310868096 636681996 /nfs/dbraw/zinc/68/19/96/636681996.db2.gz PHRCNGIOLKTTJG-KOLCDFICSA-N 1 0 248.326 1.446 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]2O)cc1 ZINC000323157995 636902730 /nfs/dbraw/zinc/90/27/30/636902730.db2.gz HTGXDNJJPPVZQT-KBPBESRZSA-N 1 0 234.343 1.756 20 10 BDCDRO CC[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1O ZINC000323503529 637005093 /nfs/dbraw/zinc/00/50/93/637005093.db2.gz DJZFXHSQTYEGAY-LOWVWBTDSA-N 1 0 237.299 1.193 20 10 BDCDRO C[C@H]([NH2+]CCn1cccn1)c1ccccc1O ZINC000042538723 637277710 /nfs/dbraw/zinc/27/77/10/637277710.db2.gz FHBIMASKKRAEEM-NSHDSACASA-N 1 0 231.299 1.940 20 10 BDCDRO CN(C)c1ccc(/C=C\CNCC2([NH3+])CC2)cc1 ZINC000904445567 637413420 /nfs/dbraw/zinc/41/34/20/637413420.db2.gz XBKPJHMOVJWSFU-ARJAWSKDSA-N 1 0 245.370 1.847 20 10 BDCDRO Cc1nnc(CC[NH2+][C@@H](C)c2ccccc2O)o1 ZINC000931554579 640272996 /nfs/dbraw/zinc/27/29/96/640272996.db2.gz RBPCNUHVMNMSRV-VIFPVBQESA-N 1 0 247.298 1.977 20 10 BDCDRO COc1ccc(CNCc2cc(C)on2)c(O)c1 ZINC000044693331 640451100 /nfs/dbraw/zinc/45/11/00/640451100.db2.gz ZCVWHBVBAHHFOR-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO CNC(=O)CC[NH2+]Cc1cc(Cl)ccc1O ZINC000044988376 640479823 /nfs/dbraw/zinc/47/98/23/640479823.db2.gz YSRFYTAKVHNAIP-UHFFFAOYSA-N 1 0 242.706 1.271 20 10 BDCDRO O=S1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000164778945 640505354 /nfs/dbraw/zinc/50/53/54/640505354.db2.gz BSBYZJLAVHQJQZ-UHFFFAOYSA-N 1 0 239.340 1.393 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)CN(C)C)c1O ZINC000165176188 640546612 /nfs/dbraw/zinc/54/66/12/640546612.db2.gz NFGBYBWLBSAPEO-NSHDSACASA-N 1 0 222.332 1.740 20 10 BDCDRO [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccccc1O ZINC000228422987 640873653 /nfs/dbraw/zinc/87/36/53/640873653.db2.gz OULKMMQTVNJWPV-WDEREUQCSA-N 1 0 234.299 1.136 20 10 BDCDRO O=C(C[C@@H]1CC[NH2+]C1)NCc1ccccc1O ZINC000228421164 640873724 /nfs/dbraw/zinc/87/37/24/640873724.db2.gz XHFZCVNFANPYQZ-JTQLQIEISA-N 1 0 234.299 1.008 20 10 BDCDRO Nc1ccc(NC(=O)CCCCC[NH3+])cc1 ZINC000169816779 640878894 /nfs/dbraw/zinc/87/88/94/640878894.db2.gz MKODFUQULNKJQM-UHFFFAOYSA-N 1 0 221.304 1.726 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1O ZINC000229970519 641000600 /nfs/dbraw/zinc/00/06/00/641000600.db2.gz ATUQDPYVNRMQIP-PSASIEDQSA-N 1 0 227.279 1.953 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC000180197270 642777983 /nfs/dbraw/zinc/77/79/83/642777983.db2.gz WXFZNDAYUURPRP-CYBMUJFWSA-N 1 0 221.300 1.657 20 10 BDCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@H]1CCOC1 ZINC000180242095 642781380 /nfs/dbraw/zinc/78/13/80/642781380.db2.gz FPOAFWPJMYACFK-SNVBAGLBSA-N 1 0 239.290 2.000 20 10 BDCDRO Oc1ccccc1C[NH2+]Cc1ncc[nH]1 ZINC000067667708 643081884 /nfs/dbraw/zinc/08/18/84/643081884.db2.gz CVEIAPQOHZKWAM-UHFFFAOYSA-N 1 0 203.245 1.405 20 10 BDCDRO C[N@@H+](Cc1cc2c(cc1O)OCO2)CC1CC1 ZINC000193999373 643144589 /nfs/dbraw/zinc/14/45/89/643144589.db2.gz SYKIFHYGGKWSGA-UHFFFAOYSA-N 1 0 235.283 1.963 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC2(CO)CCC2)c1 ZINC000184372496 643206609 /nfs/dbraw/zinc/20/66/09/643206609.db2.gz LWGDIUBQUNJBEI-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)cc1 ZINC000160305067 643441944 /nfs/dbraw/zinc/44/19/44/643441944.db2.gz ZXVDSCCMKHVKGG-ZDUSSCGKSA-N 1 0 247.342 1.202 20 10 BDCDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000080246436 644242494 /nfs/dbraw/zinc/24/24/94/644242494.db2.gz LFRHXFPIDNEARO-UHFFFAOYSA-N 1 0 233.311 1.484 20 10 BDCDRO Cc1cc(CN2CC[C@H]([NH3+])[C@@H]2C)ccc1N(C)C ZINC000923367573 644378042 /nfs/dbraw/zinc/37/80/42/644378042.db2.gz HUSOWLPRKJJIMR-JSGCOSHPSA-N 1 0 247.386 1.983 20 10 BDCDRO C[C@@H]([NH2+]C/C=C/c1ccc(N(C)C)cc1)C(N)=O ZINC000835047681 645163489 /nfs/dbraw/zinc/16/34/89/645163489.db2.gz CRCPLNHCGUOPGA-SGUJLRQBSA-N 1 0 247.342 1.229 20 10 BDCDRO C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(F)c1[O-] ZINC000843129578 645266914 /nfs/dbraw/zinc/26/69/14/645266914.db2.gz PXIDOIYLXMHSMR-DTWKUNHWSA-N 1 0 226.295 1.747 20 10 BDCDRO CCN1C[C@@H](C[NH2+]Cc2ccccc2O)CC1=O ZINC000846092478 645403316 /nfs/dbraw/zinc/40/33/16/645403316.db2.gz DILHDJAIROOFML-LLVKDONJSA-N 1 0 248.326 1.350 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1cc(F)ccc1O ZINC000927146989 645570759 /nfs/dbraw/zinc/57/07/59/645570759.db2.gz HROIXPWZKAUWDK-FXPVBKGRSA-N 1 0 239.290 1.953 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2O)c(O)c1 ZINC000877578704 645800084 /nfs/dbraw/zinc/80/00/84/645800084.db2.gz LPLDVWHACSPAPK-VXGBXAGGSA-N 1 0 221.300 1.704 20 10 BDCDRO OCc1ccc(C[NH2+]Cc2ccccc2O)o1 ZINC000135171010 645878154 /nfs/dbraw/zinc/87/81/54/645878154.db2.gz XULHAMNVCOPNSO-UHFFFAOYSA-N 1 0 233.267 1.767 20 10 BDCDRO CC[C@H]([NH2+][C@@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925864453 646516227 /nfs/dbraw/zinc/51/62/27/646516227.db2.gz RFBKZLREBVCEEA-OCCSQVGLSA-N 1 0 249.358 1.697 20 10 BDCDRO OC[C@H](CC(F)F)[NH2+]Cc1ccccc1O ZINC000381498912 710647752 /nfs/dbraw/zinc/64/77/52/710647752.db2.gz NURFMXZZGUYEBT-VIFPVBQESA-N 1 0 231.242 1.498 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCN1CCC1 ZINC000381570588 710656490 /nfs/dbraw/zinc/65/64/90/710656490.db2.gz WZJXTSPLEUZLQK-UHFFFAOYSA-N 1 0 224.279 1.327 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCCn2cncn2)c1 ZINC000381799942 710716531 /nfs/dbraw/zinc/71/65/31/710716531.db2.gz PPOOUZKLCMYMIZ-UHFFFAOYSA-N 1 0 246.314 1.472 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CC23CC(O)C3)c1O ZINC000724971421 710752100 /nfs/dbraw/zinc/75/21/00/710752100.db2.gz OAFZTRJHIUBWDK-LXVYMNJGSA-N 1 0 233.311 1.704 20 10 BDCDRO COc1cccc(CN(C)C[C@@H](C)[NH3+])c1O ZINC000380612469 712901831 /nfs/dbraw/zinc/90/18/31/712901831.db2.gz YPYVYROCJPJDLX-SECBINFHSA-N 1 0 224.304 1.180 20 10 BDCDRO COc1cccc(CN(C)C[C@H](C)[NH3+])c1O ZINC000380612470 712901834 /nfs/dbraw/zinc/90/18/34/712901834.db2.gz YPYVYROCJPJDLX-VIFPVBQESA-N 1 0 224.304 1.180 20 10 BDCDRO COC[C@](C)(O)C[NH2+]Cc1cc(C)ccc1O ZINC000382544045 710973225 /nfs/dbraw/zinc/97/32/25/710973225.db2.gz FILAZPZEULETSS-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO Cn1cncc1C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000388384445 711059715 /nfs/dbraw/zinc/05/97/15/711059715.db2.gz YXMFTGXCELOSCI-GFCCVEGCSA-N 1 0 243.310 1.903 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]Cc2cn(C)nn2)c1 ZINC000389800321 711089421 /nfs/dbraw/zinc/08/94/21/711089421.db2.gz AFJZHCIBQHNUHQ-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]CCn1cccn1)CC2 ZINC000394143686 711186398 /nfs/dbraw/zinc/18/63/98/711186398.db2.gz MTMQPONQDYTTBA-GFCCVEGCSA-N 1 0 243.310 1.866 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1COCCO1)CC2 ZINC000386534189 711031880 /nfs/dbraw/zinc/03/18/80/711031880.db2.gz PRSZTEAAHPQUPJ-NEPJUHHUSA-N 1 0 249.310 1.385 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC1=CCOCC1 ZINC000397610737 711387273 /nfs/dbraw/zinc/38/72/73/711387273.db2.gz BYQJFWJJYCBHJF-UHFFFAOYSA-N 1 0 237.274 1.968 20 10 BDCDRO COC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000036891781 711480404 /nfs/dbraw/zinc/48/04/04/711480404.db2.gz RUMIMTIWHAQXGU-VIFPVBQESA-N 1 0 223.272 1.606 20 10 BDCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@H](C)O ZINC000386737653 711654167 /nfs/dbraw/zinc/65/41/67/711654167.db2.gz XHQXRQRBRPRZTQ-JQWIXIFHSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cccc(C[NH2+]CCc2cn(C)cn2)c1O ZINC000313296521 711716682 /nfs/dbraw/zinc/71/66/82/711716682.db2.gz LNUHGPFKOMNVCC-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1ccccc1O ZINC000895317467 711780745 /nfs/dbraw/zinc/78/07/45/711780745.db2.gz OWOXWLMULGCIJQ-LLVKDONJSA-N 1 0 234.299 1.006 20 10 BDCDRO CO[C@@](C)(CO)C[NH2+]Cc1cc(F)ccc1O ZINC000702532461 712055080 /nfs/dbraw/zinc/05/50/80/712055080.db2.gz QXQMJQBWPIKBLQ-GFCCVEGCSA-N 1 0 243.278 1.018 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1COCC[C@H]1O)CC2 ZINC000710859856 712259188 /nfs/dbraw/zinc/25/91/88/712259188.db2.gz JFSMXELLICTNTH-QJPTWQEYSA-N 1 0 249.310 1.119 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000710878287 712260551 /nfs/dbraw/zinc/26/05/51/712260551.db2.gz XIEARKWQNSFWOL-JOYOIKCWSA-N 1 0 237.299 1.525 20 10 BDCDRO C[C@H](C[NH3+])N(C)Cc1c(O)cccc1Cl ZINC000383024996 712387042 /nfs/dbraw/zinc/38/70/42/712387042.db2.gz XWUDLWNPJJUFAI-MRVPVSSYSA-N 1 0 228.723 1.825 20 10 BDCDRO CCN1CC[C@@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000712566285 712446273 /nfs/dbraw/zinc/44/62/73/712446273.db2.gz STACBISGLQTISC-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO C[C@H]([NH2+]CC(=O)NC1CC1)c1ccccc1O ZINC000036782451 712494861 /nfs/dbraw/zinc/49/48/61/712494861.db2.gz RMBBXNQVBVOLGT-VIFPVBQESA-N 1 0 234.299 1.321 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362461 712575172 /nfs/dbraw/zinc/57/51/72/712575172.db2.gz QXOXYNKOGWRUQL-SNVBAGLBSA-N 1 0 221.300 1.746 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C/C=C\CO)cc1 ZINC000717529656 712660561 /nfs/dbraw/zinc/66/05/61/712660561.db2.gz AAMXLDYUOLOXET-ARJAWSKDSA-N 1 0 220.316 1.391 20 10 BDCDRO c1cc(C[NH2+][C@]23C[C@H]2COC3)cc2c1OCC2 ZINC000717980619 712735416 /nfs/dbraw/zinc/73/54/16/712735416.db2.gz QDXSBPINYKUCEA-JSGCOSHPSA-N 1 0 231.295 1.500 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCN(C)[C@H]2C)c1O ZINC000719647671 712820384 /nfs/dbraw/zinc/82/03/84/712820384.db2.gz NZYNKOBMUYSWPU-WCQYABFASA-N 1 0 234.343 1.883 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@@H](O)C1)CC2 ZINC000720991739 712886174 /nfs/dbraw/zinc/88/61/74/712886174.db2.gz IMZKOUDRTPHHKO-WCQGTBRESA-N 1 0 233.311 1.740 20 10 BDCDRO C[N@H+](Cc1ccc(O)cc1O)[C@H]1CCOC1 ZINC001204279087 966958738 /nfs/dbraw/zinc/95/87/38/966958738.db2.gz QBIFUIVYFIQJTQ-JTQLQIEISA-N 1 0 223.272 1.319 20 10 BDCDRO CCCC[C@@H](O)C[NH2+]Cc1ccc(O)cc1O ZINC001252111274 968595287 /nfs/dbraw/zinc/59/52/87/968595287.db2.gz RCGJZRAASFNLBT-GFCCVEGCSA-N 1 0 239.315 1.739 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CCOC2)c(O)c1 ZINC000087784035 968859862 /nfs/dbraw/zinc/85/98/62/968859862.db2.gz KUTMMAZMRPPNJE-SNVBAGLBSA-N 1 0 223.272 1.279 20 10 BDCDRO CN(C)CC[N@@H+]1CCc2cccc(O)c2C1 ZINC001208129429 969023650 /nfs/dbraw/zinc/02/36/50/969023650.db2.gz VWZQZDVREZLFMR-UHFFFAOYSA-N 1 0 220.316 1.312 20 10 BDCDRO Oc1ccc(CC[NH2+][C@H]2CCSC2)cc1O ZINC001255270054 970019533 /nfs/dbraw/zinc/01/95/33/970019533.db2.gz UQAXUGYUAIQIHK-JTQLQIEISA-N 1 0 239.340 1.735 20 10 BDCDRO C[C@@H]([NH2+]CCN1CCCC1=O)c1ccccc1O ZINC000405402193 971247286 /nfs/dbraw/zinc/24/72/86/971247286.db2.gz NNKRCBUEXIEPRO-LLVKDONJSA-N 1 0 248.326 1.665 20 10 BDCDRO CC[C@H](C)[NH2+]CCc1cc(O)c(O)cc1O ZINC001257430002 971337079 /nfs/dbraw/zinc/33/70/79/971337079.db2.gz CIDGEXVSQACNHF-QMMMGPOBSA-N 1 0 225.288 1.734 20 10 BDCDRO C[C@@H]1CC[C@@H](OCc2ccc(N)cc2)C[NH2+]1 ZINC001217912680 971512078 /nfs/dbraw/zinc/51/20/78/971512078.db2.gz VGPVMTATZIMNHL-ZWNOBZJWSA-N 1 0 220.316 1.926 20 10 BDCDRO Nc1ccc(CC(=O)n2ccc(=[NH2+])c(N)c2)cc1 ZINC001218694293 971916139 /nfs/dbraw/zinc/91/61/39/971916139.db2.gz WEWNYSSBGIGLPX-UHFFFAOYSA-N 1 0 242.282 1.015 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000693621490 959014039 /nfs/dbraw/zinc/01/40/39/959014039.db2.gz UGLHCOKVNGVNAC-PHIMTYICSA-N 1 0 234.299 1.088 20 10 BDCDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(C)c2O)C1 ZINC001140747719 959793633 /nfs/dbraw/zinc/79/36/33/959793633.db2.gz JKXXKEUGQGRVDU-NSHDSACASA-N 1 0 249.310 1.817 20 10 BDCDRO CCOC(=O)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC001140620902 960464264 /nfs/dbraw/zinc/46/42/64/960464264.db2.gz FZQGTONNJTUHBD-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO CC[N@H+](Cc1cc(C)ccc1O)C1COC1 ZINC001140623327 960465908 /nfs/dbraw/zinc/46/59/08/960465908.db2.gz NMWLEHJEDXGTCB-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3CCN(C)[C@@H]3C2)c1 ZINC001140622728 960466253 /nfs/dbraw/zinc/46/62/53/960466253.db2.gz DNFWGVYJBKGGTL-GXTWGEPZSA-N 1 0 246.354 1.837 20 10 BDCDRO Cc1ccc(O)c(CN2CC([NH+]3CCCC3)C2)c1 ZINC001140620983 960466800 /nfs/dbraw/zinc/46/68/00/960466800.db2.gz JUIPRRCHEVVDMU-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1ccc(CN2CC([NH+]3CCCC3)C2)c(O)c1 ZINC001140949857 960746642 /nfs/dbraw/zinc/74/66/42/960746642.db2.gz NPNRDLRQIYBHJQ-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO CO[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@@H]1F ZINC001140947848 960746999 /nfs/dbraw/zinc/74/69/99/960746999.db2.gz IIMXCEOSTLEVGD-WCQYABFASA-N 1 0 239.290 1.869 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@H]2CCN(C)C2)c(O)c1 ZINC001140950657 960753788 /nfs/dbraw/zinc/75/37/88/960753788.db2.gz AQTXDBCOLHCLMD-ZDUSSCGKSA-N 1 0 234.343 1.837 20 10 BDCDRO CN1CCOc2cc(C[N@@H+]3CC[C@@H](O)C3)ccc21 ZINC001141140486 960887582 /nfs/dbraw/zinc/88/75/82/960887582.db2.gz MVDLHXWSJWURPS-GFCCVEGCSA-N 1 0 248.326 1.082 20 10 BDCDRO COCC1C[NH+](Cc2cc(O)ccc2O)C1 ZINC001141155611 960890303 /nfs/dbraw/zinc/89/03/03/960890303.db2.gz BAFKACYVTQHBGD-UHFFFAOYSA-N 1 0 223.272 1.176 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(O)ccc2O)CCCO1 ZINC001141155957 960891945 /nfs/dbraw/zinc/89/19/45/960891945.db2.gz BYCKLTWVXBRZGE-JTQLQIEISA-N 1 0 237.299 1.709 20 10 BDCDRO Oc1ccc(O)c(C[N@H+]2CCC[C@@H](O)CC2)c1 ZINC001141156474 960892406 /nfs/dbraw/zinc/89/24/06/960892406.db2.gz LTYNAJYBTXVXAD-LLVKDONJSA-N 1 0 237.299 1.445 20 10 BDCDRO C[NH+](C)C1(C)CN(Cc2cc(O)ccc2O)C1 ZINC001141159821 960896858 /nfs/dbraw/zinc/89/68/58/960896858.db2.gz LTMGIDQSCUOFQE-UHFFFAOYSA-N 1 0 236.315 1.234 20 10 BDCDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(O)ccc1O ZINC001141162760 960903945 /nfs/dbraw/zinc/90/39/45/960903945.db2.gz CIORTZWLRSQOCJ-RYUDHWBXSA-N 1 0 248.326 1.376 20 10 BDCDRO COc1ccc(O)c(CN2CC[NH2+]C[C@@H]2C)c1 ZINC000722387076 961183609 /nfs/dbraw/zinc/18/36/09/961183609.db2.gz NIKMQJPDJQRGTH-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2cccc(F)c2O)C1 ZINC001204772095 963414915 /nfs/dbraw/zinc/41/49/15/963414915.db2.gz UFTVDHJZLBJFFJ-GFCCVEGCSA-N 1 0 224.279 1.454 20 10 BDCDRO [NH3+]CC[C@H](NCc1cccc(F)c1O)C(F)F ZINC000841074943 963671371 /nfs/dbraw/zinc/67/13/71/963671371.db2.gz SMVNTNFUERNBDU-VIFPVBQESA-N 1 0 248.248 1.603 20 10 BDCDRO CNc1ccccc1NC[C@@]12C[NH2+][C@@H](CO1)C2 ZINC001163203690 965300111 /nfs/dbraw/zinc/30/01/11/965300111.db2.gz OYISJMXSEGRUIU-ZWNOBZJWSA-N 1 0 233.315 1.271 20 10 BDCDRO CNc1ccccc1N[C@H]1C[NH2+][C@@H]2CCO[C@@H]21 ZINC001163347555 965344404 /nfs/dbraw/zinc/34/44/04/965344404.db2.gz DVHAVBFZKIPUSD-AGIUHOORSA-N 1 0 233.315 1.270 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1 ZINC001235997614 966223451 /nfs/dbraw/zinc/22/34/51/966223451.db2.gz WNXFZBNAQDGVKN-GXTWGEPZSA-N 1 0 232.327 1.624 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2ccc(N3CCCC3)cc2)C1 ZINC001236170293 966288319 /nfs/dbraw/zinc/28/83/19/966288319.db2.gz UUJXPSPKVHJRJU-AWEZNQCLSA-N 1 0 245.370 1.820 20 10 BDCDRO CCc1ccc(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC001236174428 966298357 /nfs/dbraw/zinc/29/83/57/966298357.db2.gz QJLRTZHODCKWIN-GFCCVEGCSA-N 1 0 220.316 1.488 20 10 BDCDRO COc1cc(O)c(C[N@H+](C)CCO)c(Cl)c1 ZINC001236255330 966322537 /nfs/dbraw/zinc/32/25/37/966322537.db2.gz CKXFKXNCTZKKFG-UHFFFAOYSA-N 1 0 245.706 1.478 20 10 BDCDRO Cc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c(O)c1 ZINC001236284157 966333137 /nfs/dbraw/zinc/33/31/37/966333137.db2.gz HELZOPDLVVSCLS-NEPJUHHUSA-N 1 0 218.300 1.104 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)CC[C@@H]1O ZINC001203550487 966683471 /nfs/dbraw/zinc/68/34/71/966683471.db2.gz VYJGEAUFQZLHCU-YPMHNXCESA-N 1 0 235.327 1.985 20 10 BDCDRO CN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccccc1O ZINC001203555759 966689109 /nfs/dbraw/zinc/68/91/09/966689109.db2.gz HMTFVSJEOJRUCL-RYUDHWBXSA-N 1 0 218.300 1.281 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCOC2(CC2)C1 ZINC001203560844 966689611 /nfs/dbraw/zinc/68/96/11/966689611.db2.gz HQKYJCURQCAKCZ-UHFFFAOYSA-N 1 0 219.284 1.757 20 10 BDCDRO CC[N@H+](Cc1ccccc1O)C1CN(C)C1 ZINC001203561418 966693169 /nfs/dbraw/zinc/69/31/69/966693169.db2.gz VQZCGFFUYBMZAB-UHFFFAOYSA-N 1 0 220.316 1.528 20 10 BDCDRO COc1cccc(CN2CC([NH+](C)C)C2)c1O ZINC001203584388 966695210 /nfs/dbraw/zinc/69/52/10/966695210.db2.gz AGLXKZMSHNCAFA-UHFFFAOYSA-N 1 0 236.315 1.147 20 10 BDCDRO Oc1ccc(C[NH+]2CC3(C2)CCOCC3)cc1O ZINC001203878447 966804669 /nfs/dbraw/zinc/80/46/69/966804669.db2.gz GUZJWQNDHCSRDX-UHFFFAOYSA-N 1 0 249.310 1.710 20 10 BDCDRO COC[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875646 966805506 /nfs/dbraw/zinc/80/55/06/966805506.db2.gz SFXIKHIRTJTENX-LLVKDONJSA-N 1 0 237.299 1.566 20 10 BDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875592 966807137 /nfs/dbraw/zinc/80/71/37/966807137.db2.gz RDQLNMMPRIMWEA-ONGXEEELSA-N 1 0 237.299 1.301 20 10 BDCDRO Oc1ccc(CN2CC([NH+]3CCCC3)C2)cc1O ZINC001203882208 966808474 /nfs/dbraw/zinc/80/84/74/966808474.db2.gz GDTLSYPUCKRFGU-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO C[N@H+](Cc1ccc(O)c(O)c1)CC1(C)COC1 ZINC001203882653 966810616 /nfs/dbraw/zinc/81/06/16/966810616.db2.gz PEEJSTXZOGEWHG-UHFFFAOYSA-N 1 0 237.299 1.566 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1O ZINC001205196816 966810870 /nfs/dbraw/zinc/81/08/70/966810870.db2.gz BIWNGWZEPFFWKW-ZWNOBZJWSA-N 1 0 249.358 1.380 20 10 BDCDRO CCN(CC)c1ccc(C[NH+]2CC(CO)C2)cc1 ZINC001203938924 966825912 /nfs/dbraw/zinc/82/59/12/966825912.db2.gz GIBFDNDKYXMCOK-UHFFFAOYSA-N 1 0 248.370 1.957 20 10 BDCDRO OC[C@H]1CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204272778 966951146 /nfs/dbraw/zinc/95/11/46/966951146.db2.gz RWBVAHKKUCYWJC-JTQLQIEISA-N 1 0 237.299 1.302 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CCCO1 ZINC001204273069 966952740 /nfs/dbraw/zinc/95/27/40/966952740.db2.gz WHPRQJHZOAICLC-SNVBAGLBSA-N 1 0 237.299 1.709 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(O)cc1O ZINC001204283068 966958953 /nfs/dbraw/zinc/95/89/53/966958953.db2.gz YCJJJOTZLCKPHD-SNVBAGLBSA-N 1 0 223.272 1.319 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1ccc(O)cc1O ZINC001204278178 966959922 /nfs/dbraw/zinc/95/99/22/966959922.db2.gz WQRGPERZXZTZQF-UHFFFAOYSA-N 1 0 239.271 1.093 20 10 BDCDRO Cc1cc(CN2CC(C)([NH3+])C2)ccc1N(C)C ZINC001204974111 967269225 /nfs/dbraw/zinc/26/92/25/967269225.db2.gz PHVPKSVSISMMOC-UHFFFAOYSA-N 1 0 233.359 1.594 20 10 BDCDRO Nc1ccc(CN2CCCC[C@H]([NH3+])C2)cc1 ZINC001205937767 967891681 /nfs/dbraw/zinc/89/16/81/967891681.db2.gz CNMCJJJHTHARGH-ZDUSSCGKSA-N 1 0 219.332 1.582 20 10 BDCDRO Nc1ccc(CN2CCCC[C@@H]([NH3+])C2)cc1 ZINC001205937764 967892274 /nfs/dbraw/zinc/89/22/74/967892274.db2.gz CNMCJJJHTHARGH-CYBMUJFWSA-N 1 0 219.332 1.582 20 10 BDCDRO Nc1ccc(CNc2cc(N)cc[nH+]2)cc1 ZINC001162784776 967915718 /nfs/dbraw/zinc/91/57/18/967915718.db2.gz WIYDCDHFRRTGNF-UHFFFAOYSA-N 1 0 214.272 1.858 20 10 BDCDRO COc1ccc(N2CC[C@H]([NH3+])C2)c2cc[nH]c21 ZINC001164282177 968206761 /nfs/dbraw/zinc/20/67/61/968206761.db2.gz ULMZEFRMCQGPRQ-VIFPVBQESA-N 1 0 231.299 1.714 20 10 BDCDRO [NH3+][C@@H]1CCN(c2ccc(OC(F)F)cc2F)C1 ZINC001164281442 968208077 /nfs/dbraw/zinc/20/80/77/968208077.db2.gz CNWJTVVFZJYKJY-SSDOTTSWSA-N 1 0 246.232 1.965 20 10 BDCDRO CO/C=C/c1ccc(N2CC[C@@H]([NH3+])C2)cc1 ZINC001164286047 968212258 /nfs/dbraw/zinc/21/22/58/968212258.db2.gz DDRZGRKVSKHPMI-YPUOHESYSA-N 1 0 218.300 1.841 20 10 BDCDRO Cc1cccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1O ZINC001206436805 968304947 /nfs/dbraw/zinc/30/49/47/968304947.db2.gz NURPMCRRTHXLFT-RYUDHWBXSA-N 1 0 238.306 1.572 20 10 BDCDRO COCCC[N@@H+]1CCc2cccc(O)c2C1 ZINC001209053089 969338715 /nfs/dbraw/zinc/33/87/15/969338715.db2.gz ACFDVCVEOFOENG-UHFFFAOYSA-N 1 0 221.300 1.787 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCC(F)CC2)c(O)c1 ZINC001144499206 972847065 /nfs/dbraw/zinc/84/70/65/972847065.db2.gz FDZCLLHYUCEBES-UHFFFAOYSA-N 1 0 241.262 1.737 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CC(C(F)F)C2)c(O)c1 ZINC001144520366 972853230 /nfs/dbraw/zinc/85/32/30/972853230.db2.gz MZAXFCCKOOSDNL-UHFFFAOYSA-N 1 0 245.225 1.500 20 10 BDCDRO C[C@H]1CC[C@@H](N2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871379 973243189 /nfs/dbraw/zinc/24/31/89/973243189.db2.gz YWGLXFMBTHVDJX-WCQYABFASA-N 1 0 246.354 1.891 20 10 BDCDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000234889667 973774765 /nfs/dbraw/zinc/77/47/65/973774765.db2.gz WHBSTPBZUBAACS-WCBMZHEXSA-N 1 0 243.278 1.189 20 10 BDCDRO Oc1ccc(Nc2cc[nH+]cc2)c(O)c1 ZINC001173882840 975947106 /nfs/dbraw/zinc/94/71/06/975947106.db2.gz XAZKXMBSOQHCKY-UHFFFAOYSA-N 1 0 202.213 1.658 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001334774752 976624446 /nfs/dbraw/zinc/62/44/46/976624446.db2.gz MUQXGLQOBLMUCK-LBPRGKRZSA-N 1 0 205.305 1.063 20 10 BDCDRO CN(Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001334774751 976640159 /nfs/dbraw/zinc/64/01/59/976640159.db2.gz MUQXGLQOBLMUCK-GFCCVEGCSA-N 1 0 205.305 1.063 20 10 BDCDRO Nc1ccc(C[N@@H+]2CCOCC3(CC3)C2)cc1 ZINC001335287761 976926952 /nfs/dbraw/zinc/92/69/52/976926952.db2.gz ATNSHJSWNJCXQW-UHFFFAOYSA-N 1 0 232.327 1.881 20 10 BDCDRO CCOC(=O)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001336284957 977613676 /nfs/dbraw/zinc/61/36/76/977613676.db2.gz FKOYOJXQEQPIEQ-GFCCVEGCSA-N 1 0 248.326 1.654 20 10 BDCDRO Nc1ccc(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)cc1 ZINC001336284738 977614555 /nfs/dbraw/zinc/61/45/55/977614555.db2.gz CJDJXDCRXZNPFP-XSXPHNMFSA-N 1 0 244.338 1.782 20 10 BDCDRO Oc1ccc2ccccc2c1C[NH+]1CC(O)C1 ZINC001231588924 977635467 /nfs/dbraw/zinc/63/54/67/977635467.db2.gz ZIASSDLFIFYULR-UHFFFAOYSA-N 1 0 229.279 1.722 20 10 BDCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1cccc(C)c1O ZINC001231594535 977641605 /nfs/dbraw/zinc/64/16/05/977641605.db2.gz HJEPXHFATBVKJP-KBPBESRZSA-N 1 0 246.354 1.979 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CC(O)C2)c(O)c1 ZINC001231841258 977757102 /nfs/dbraw/zinc/75/71/02/977757102.db2.gz ABQKFACMXWHZEI-UHFFFAOYSA-N 1 0 207.273 1.186 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2CO)c(O)c1 ZINC001231843408 977765521 /nfs/dbraw/zinc/76/55/21/977765521.db2.gz YIKVRRFLJPQMFH-GFCCVEGCSA-N 1 0 235.327 1.966 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]3C[C@@H]32)cc1O ZINC001233486889 978611658 /nfs/dbraw/zinc/61/16/58/978611658.db2.gz HJHDCIWHCLQMHM-SCZZXKLOSA-N 1 0 235.283 1.788 20 10 BDCDRO [NH3+][C@H]1C[C@@H](F)CN(Cc2cc(F)ccc2O)C1 ZINC001206424681 978914292 /nfs/dbraw/zinc/91/42/92/978914292.db2.gz RPCBHZSMJAWIKC-MNOVXSKESA-N 1 0 242.269 1.402 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)c(O)c1 ZINC001204280460 978943571 /nfs/dbraw/zinc/94/35/71/978943571.db2.gz KFINQBIUAPUWIO-SMDDNHRTSA-N 1 0 249.310 1.709 20 10 BDCDRO Nc1ccc(CN2CCCCC23C[NH2+]C3)cc1 ZINC001235102123 978977286 /nfs/dbraw/zinc/97/72/86/978977286.db2.gz NPOBIZJETWDVQY-UHFFFAOYSA-N 1 0 231.343 1.597 20 10 BDCDRO C[C@H]1CC[C@H]([NH3+])CN1Cc1ccc(N)cc1 ZINC001235906315 979196420 /nfs/dbraw/zinc/19/64/20/979196420.db2.gz NWYDWBIKZWRUBY-GWCFXTLKSA-N 1 0 219.332 1.580 20 10 BDCDRO Cc1cccc(O)c1CN1C[C@H]2C[C@@]2([NH3+])C1 ZINC001236028370 979324347 /nfs/dbraw/zinc/32/43/47/979324347.db2.gz POCUVJGAJRJDBO-ZWNOBZJWSA-N 1 0 218.300 1.234 20 10 BDCDRO Cc1cc(F)cc(CN2CCC[C@@H]2C[NH3+])c1O ZINC001236253148 979470933 /nfs/dbraw/zinc/47/09/33/979470933.db2.gz SOOZNWAXGIEELE-GFCCVEGCSA-N 1 0 238.306 1.763 20 10 BDCDRO CCc1ccc(C[N@H+](C)CCO)c(O)c1 ZINC001236256849 979477952 /nfs/dbraw/zinc/47/79/52/979477952.db2.gz SXXKECNDZLHELZ-UHFFFAOYSA-N 1 0 209.289 1.379 20 10 BDCDRO CCc1ccc(CN(C)CC(=O)OC)c(O)c1 ZINC001236791740 979742606 /nfs/dbraw/zinc/74/26/06/979742606.db2.gz JILADOUZWKJDDK-UHFFFAOYSA-N 1 0 237.299 1.559 20 10 BDCDRO CC(C)([NH3+])CC(=O)NCc1c(O)cccc1F ZINC001342535053 979824168 /nfs/dbraw/zinc/82/41/68/979824168.db2.gz FTERZUBEWWTZCP-UHFFFAOYSA-N 1 0 240.278 1.275 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(C2COC2)C1 ZINC001237481682 979908788 /nfs/dbraw/zinc/90/87/88/979908788.db2.gz HFKHUPDHENEDTH-UHFFFAOYSA-N 1 0 233.311 1.779 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CCC2(CN(C)C2)C1 ZINC001237490725 979919073 /nfs/dbraw/zinc/91/90/73/979919073.db2.gz DZUGPCJYNUEYDP-UHFFFAOYSA-N 1 0 246.354 1.838 20 10 BDCDRO COc1cccc(C[NH+]2CC=CC2)c1O ZINC001203584848 979972535 /nfs/dbraw/zinc/97/25/35/979972535.db2.gz HRVHNTFHJJSEFX-UHFFFAOYSA-N 1 0 205.257 1.773 20 10 BDCDRO CC(C)[C@H](C(=O)NCc1ccc(N)cc1)[NH+](C)C ZINC001343567857 980150768 /nfs/dbraw/zinc/15/07/68/980150768.db2.gz UCEVKYZWTPYLEE-CYBMUJFWSA-N 1 0 249.358 1.471 20 10 BDCDRO C[NH2+][C@@H](C)CC[NH2+]Cc1cccc(F)c1[O-] ZINC001345105048 980550013 /nfs/dbraw/zinc/55/00/13/980550013.db2.gz OYZGCCCCXPDCJS-VIFPVBQESA-N 1 0 226.295 1.619 20 10 BDCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N)cc1 ZINC001345160753 980570022 /nfs/dbraw/zinc/57/00/22/980570022.db2.gz YGSAIHARQUDGFC-NSHDSACASA-N 1 0 230.315 1.644 20 10 BDCDRO C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(N)cc2)C1 ZINC001346210023 980787114 /nfs/dbraw/zinc/78/71/14/980787114.db2.gz MJJBLNQWQVDRGD-LBPRGKRZSA-N 1 0 247.342 1.227 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CCCO1 ZINC001203875511 982558389 /nfs/dbraw/zinc/55/83/89/982558389.db2.gz OFESNGRCTPEIGB-SNVBAGLBSA-N 1 0 237.299 1.709 20 10 BDCDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccc(N)cc1)C2 ZINC001352788648 982582980 /nfs/dbraw/zinc/58/29/80/982582980.db2.gz FVWOKKREPUSZNZ-JSGCOSHPSA-N 1 0 232.327 1.737 20 10 BDCDRO CCCC[C@H](O)C[NH2+]Cc1cccc(O)c1O ZINC001252115195 983701116 /nfs/dbraw/zinc/70/11/16/983701116.db2.gz RHPJPKHHAOFGML-NSHDSACASA-N 1 0 239.315 1.739 20 10 BDCDRO C[C@@H](CC[NH3+])[NH2+]Cc1cc(F)c(F)cc1[O-] ZINC001575962377 984147118 /nfs/dbraw/zinc/14/71/18/984147118.db2.gz QQPLOQBCXJLKPY-ZETCQYMHSA-N 1 0 230.258 1.497 20 10 BDCDRO C[N@@H+]1CCC2(CN(Cc3ccc(O)c(O)c3)C2)C1 ZINC001275820992 984672757 /nfs/dbraw/zinc/67/27/57/984672757.db2.gz DRJGHYULMPDVAI-UHFFFAOYSA-N 1 0 248.326 1.235 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000718251287 985841548 /nfs/dbraw/zinc/84/15/48/985841548.db2.gz QXWMVZGSDGIMSX-BETUJISGSA-N 1 0 233.311 1.779 20 10 BDCDRO Cc1ccc(CN2CC[NH2+]C[C@@H]2C)c(O)c1 ZINC001579692078 986190462 /nfs/dbraw/zinc/19/04/62/986190462.db2.gz SGISFXYLXUFRRN-NSHDSACASA-N 1 0 220.316 1.494 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000690779170 987280895 /nfs/dbraw/zinc/28/08/95/987280895.db2.gz AEVXFSPOLMLKGW-QWHCGFSZSA-N 1 0 233.311 1.861 20 10 BDCDRO Nc1ccc(CN[C@H]2CCCC[NH2+]C2)cc1 ZINC001246170950 987535283 /nfs/dbraw/zinc/53/52/83/987535283.db2.gz PDBZWOMMVKDYFB-ZDUSSCGKSA-N 1 0 219.332 1.501 20 10 BDCDRO [O-]c1c(F)cccc1C[N@H+]1CCCC[C@H](O)C1 ZINC001138124029 990885732 /nfs/dbraw/zinc/88/57/32/990885732.db2.gz VUYHDVJGZCDORV-NSHDSACASA-N 1 0 239.290 1.878 20 10 BDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(F)ccc1O ZINC001140057410 991507242 /nfs/dbraw/zinc/50/72/42/991507242.db2.gz GPQSNAOWAAARGS-CABZTGNLSA-N 1 0 239.290 1.877 20 10 BDCDRO C[NH+](C)C1CN(Cc2cc(F)ccc2O)C1 ZINC001140057612 991510872 /nfs/dbraw/zinc/51/08/72/991510872.db2.gz HZGDCXLFZLBEBJ-UHFFFAOYSA-N 1 0 224.279 1.277 20 10 BDCDRO Oc1cccc2c1C[N@H+](Cc1ccncn1)CC2 ZINC001140350723 991626060 /nfs/dbraw/zinc/62/60/60/991626060.db2.gz PLFFXNHVSURFDB-UHFFFAOYSA-N 1 0 241.294 1.741 20 10 BDCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC001574156317 992815249 /nfs/dbraw/zinc/81/52/49/992815249.db2.gz CNNQFHIBGLUYCM-NSHDSACASA-N 1 0 234.299 1.069 20 10 BDCDRO Oc1cccc(Cl)c1CNC1C[NH2+]C1 ZINC001574439989 992859097 /nfs/dbraw/zinc/85/90/97/992859097.db2.gz KGCVLNFKZKRHTL-UHFFFAOYSA-N 1 0 212.680 1.107 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC001576380056 993287057 /nfs/dbraw/zinc/28/70/57/993287057.db2.gz GHZHYDPRQFBPFX-GHMZBOCLSA-N 1 0 238.306 1.747 20 10 BDCDRO Cc1cc(Cl)cc(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC000132489803 178064355 /nfs/dbraw/zinc/06/43/55/178064355.db2.gz CGYZXEGAVYPIOU-LLVKDONJSA-N 1 0 241.718 1.921 20 10 BDCDRO CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1O ZINC000133139543 398310534 /nfs/dbraw/zinc/31/05/34/398310534.db2.gz UDNXNDAMHZTKIO-VHSXEESVSA-N 1 0 209.289 1.905 20 10 BDCDRO C[C@@H](CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000035602967 343299785 /nfs/dbraw/zinc/29/97/85/343299785.db2.gz MJGUYZISENODNV-ZETCQYMHSA-N 1 0 215.680 1.516 20 10 BDCDRO C[C@H](C[NH2+][C@H](C)c1ccccc1O)N(C)C ZINC000038088823 343370153 /nfs/dbraw/zinc/37/01/53/343370153.db2.gz MDKUBGOFDWNOJN-GHMZBOCLSA-N 1 0 222.332 1.993 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000158631836 178789522 /nfs/dbraw/zinc/78/95/22/178789522.db2.gz CJXHIWZHAIJNLV-UHFFFAOYSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2(CO)CCC2)c1 ZINC000157502654 178795501 /nfs/dbraw/zinc/79/55/01/178795501.db2.gz ABHXECGAMRXXFK-UHFFFAOYSA-N 1 0 221.300 1.705 20 10 BDCDRO Cc1cccc(C[N@@H+](C)CC(=O)N(C)C)c1O ZINC000124517413 179064023 /nfs/dbraw/zinc/06/40/23/179064023.db2.gz HZENKSQVNCXNFF-UHFFFAOYSA-N 1 0 236.315 1.221 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@H](C)CO)c1O ZINC000289488547 179069344 /nfs/dbraw/zinc/06/93/44/179069344.db2.gz RJAXZRIMQPSCPA-SNVBAGLBSA-N 1 0 209.289 1.513 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H](O)C(C)C)c1O ZINC000162628464 179091333 /nfs/dbraw/zinc/09/13/33/179091333.db2.gz IFBBMFPZSMCWQU-GFCCVEGCSA-N 1 0 223.316 1.807 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCOC2)c1O ZINC000162827620 179092075 /nfs/dbraw/zinc/09/20/75/179092075.db2.gz SLYUTELQIVDTRK-NSHDSACASA-N 1 0 221.300 1.827 20 10 BDCDRO CC1(C)C[N@H+](Cc2ccccc2O)CC[C@H]1O ZINC000275838243 351606375 /nfs/dbraw/zinc/60/63/75/351606375.db2.gz GNNPGQXEHTXDGN-CYBMUJFWSA-N 1 0 235.327 1.985 20 10 BDCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccccc1 ZINC000637868699 351732951 /nfs/dbraw/zinc/73/29/51/351732951.db2.gz IKPBMWAZTZGMMZ-LLVKDONJSA-N 1 0 216.284 1.697 20 10 BDCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCc3cccc(F)c32)C1 ZINC000638301487 352132801 /nfs/dbraw/zinc/13/28/01/352132801.db2.gz OXEJBKWQUUHTEH-LLVKDONJSA-N 1 0 246.285 1.762 20 10 BDCDRO CC(C)C[C@H](C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262591135 187678290 /nfs/dbraw/zinc/67/82/90/187678290.db2.gz CLBKDDMVUZWKFD-CYBMUJFWSA-N 1 0 249.358 1.301 20 10 BDCDRO CC[C@H]([NH2+]C[C@@H](O)COC)c1ccccc1O ZINC000071269702 188305948 /nfs/dbraw/zinc/30/59/48/188305948.db2.gz CBJJIYBUZVNTMR-PWSUYJOCSA-N 1 0 239.315 1.440 20 10 BDCDRO CC(C)[N@H+](C)CC(=O)NCCc1ccc(N)cc1 ZINC000236649082 188367061 /nfs/dbraw/zinc/36/70/61/188367061.db2.gz FZYNYMJKCHVPFH-UHFFFAOYSA-N 1 0 249.358 1.268 20 10 BDCDRO Cc1cccc(C[N@H+]2CCCN(C)C(=O)C2)c1O ZINC000191661170 357782007 /nfs/dbraw/zinc/78/20/07/357782007.db2.gz AGVVGVPTWLRRSG-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO OC[C@H]1CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000183244107 183151261 /nfs/dbraw/zinc/15/12/61/183151261.db2.gz CGXZDIJNOKCLCH-JTQLQIEISA-N 1 0 239.290 1.736 20 10 BDCDRO Oc1ccc(Cl)cc1CN1CCC[NH2+]CC1 ZINC000038086985 183273676 /nfs/dbraw/zinc/27/36/76/183273676.db2.gz ZGLYXXBVGMMNBK-UHFFFAOYSA-N 1 0 240.734 1.841 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CCOC1 ZINC000226584606 183275782 /nfs/dbraw/zinc/27/57/82/183275782.db2.gz YMIMDYNEPBIDNY-SECBINFHSA-N 1 0 225.263 1.657 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H](O)C1CC1 ZINC000070880277 183304137 /nfs/dbraw/zinc/30/41/37/183304137.db2.gz RTNHHAZPHGGSJN-LBPRGKRZSA-N 1 0 207.273 1.253 20 10 BDCDRO CCCNC(=O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295856494 169228756 /nfs/dbraw/zinc/22/87/56/169228756.db2.gz GJXLFHLHXOSABU-NSHDSACASA-N 1 0 248.326 1.495 20 10 BDCDRO CCOCC[NH2+]Cc1cccc(OC)c1O ZINC000036229034 383891090 /nfs/dbraw/zinc/89/10/90/383891090.db2.gz WEKHGADVCDETSN-UHFFFAOYSA-N 1 0 225.288 1.527 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362913 383970349 /nfs/dbraw/zinc/97/03/49/383970349.db2.gz MDJKNNLXTRWOLH-LBPRGKRZSA-N 1 0 221.300 1.482 20 10 BDCDRO C[C@@H](C[NH2+][C@@H](C)c1ccccc1O)N(C)C ZINC000038088820 384067644 /nfs/dbraw/zinc/06/76/44/384067644.db2.gz MDKUBGOFDWNOJN-QWRGUYRKSA-N 1 0 222.332 1.993 20 10 BDCDRO Cn1nccc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000070141506 384081477 /nfs/dbraw/zinc/08/14/77/384081477.db2.gz YLIKUDCGKMIXFZ-UHFFFAOYSA-N 1 0 243.310 1.645 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)c2nncn2C)c1 ZINC000071407591 384165741 /nfs/dbraw/zinc/16/57/41/384165741.db2.gz WOEUHNSRBRVAGE-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2CCN(C)CC2)c1 ZINC000071407038 384166364 /nfs/dbraw/zinc/16/63/64/384166364.db2.gz BSRSRLMRZPMEHZ-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCCNC2=O)c1 ZINC000071407443 384166913 /nfs/dbraw/zinc/16/69/13/384166913.db2.gz AMBMKQXXHNFUFY-LBPRGKRZSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000132474354 384230713 /nfs/dbraw/zinc/23/07/13/384230713.db2.gz IBXBRVKJTCOOEO-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO C[C@@H](O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000134735178 384383883 /nfs/dbraw/zinc/38/38/83/384383883.db2.gz AKKCRFDCTQIEJJ-MNOVXSKESA-N 1 0 221.300 1.595 20 10 BDCDRO COc1ccc(C[NH2+]CC[C@@H](C)O)cc1C ZINC000078781457 384465998 /nfs/dbraw/zinc/46/59/98/384465998.db2.gz KRZRFUSESYPUOQ-LLVKDONJSA-N 1 0 223.316 1.864 20 10 BDCDRO C[C@H]([NH2+]CCn1cncn1)c1ccccc1O ZINC000271672365 384628715 /nfs/dbraw/zinc/62/87/15/384628715.db2.gz NUOLGEMXXZEFJD-JTQLQIEISA-N 1 0 232.287 1.335 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000162826535 384693035 /nfs/dbraw/zinc/69/30/35/384693035.db2.gz LIYTZXCMCSFIPX-ZDUSSCGKSA-N 1 0 223.316 1.951 20 10 BDCDRO CCOc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC000271052319 384704421 /nfs/dbraw/zinc/70/44/21/384704421.db2.gz WTPPUTDCTZVLHR-LLVKDONJSA-N 1 0 237.299 1.358 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC2(C)COC2)cc1 ZINC000083523080 384780200 /nfs/dbraw/zinc/78/02/00/384780200.db2.gz ZWMJQQOFYNUFRU-UHFFFAOYSA-N 1 0 234.343 1.879 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCC(=O)N(C)C1)c1ccccc1O ZINC000084061487 384832242 /nfs/dbraw/zinc/83/22/42/384832242.db2.gz MJMJXDGJRCWKJL-MNOVXSKESA-N 1 0 248.326 1.664 20 10 BDCDRO C[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111359 385073240 /nfs/dbraw/zinc/07/32/40/385073240.db2.gz CECSZDLHXUAKEF-YUMQZZPRSA-N 1 0 213.252 1.563 20 10 BDCDRO COC(=O)C1(C[NH2+]Cc2ccccc2O)CC1 ZINC000188670754 385076079 /nfs/dbraw/zinc/07/60/79/385076079.db2.gz HOJBZJMKQGMEDQ-UHFFFAOYSA-N 1 0 235.283 1.435 20 10 BDCDRO C[C@@H](CC[S@](C)=O)[NH2+]Cc1ccccc1O ZINC000131297539 385323811 /nfs/dbraw/zinc/32/38/11/385323811.db2.gz RIHUFTMVZIWJMN-MGPLVRAMSA-N 1 0 241.356 1.639 20 10 BDCDRO CC(C)(O)C[NH2+]Cc1cc(F)ccc1O ZINC000180737917 385395142 /nfs/dbraw/zinc/39/51/42/385395142.db2.gz YPHFPNKEGGJZGK-UHFFFAOYSA-N 1 0 213.252 1.392 20 10 BDCDRO CN(C)C(=O)CN(C)Cc1cc(F)ccc1O ZINC000179886644 385497498 /nfs/dbraw/zinc/49/74/98/385497498.db2.gz SEIYJTAIKPKSKW-UHFFFAOYSA-N 1 0 240.278 1.051 20 10 BDCDRO C[C@@]1(O)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180185825 385511233 /nfs/dbraw/zinc/51/12/33/385511233.db2.gz PLQIKNHCYYPJTE-CYBMUJFWSA-N 1 0 239.290 1.878 20 10 BDCDRO C[C@]1(O)CCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180185811 385511977 /nfs/dbraw/zinc/51/19/77/385511977.db2.gz PLQIKNHCYYPJTE-ZDUSSCGKSA-N 1 0 239.290 1.878 20 10 BDCDRO C[C@@]1(C(=O)Nc2ccc(N)cc2)CCCC[NH2+]1 ZINC000180895606 385554328 /nfs/dbraw/zinc/55/43/28/385554328.db2.gz LJVSZEVUZQHMNY-ZDUSSCGKSA-N 1 0 233.315 1.740 20 10 BDCDRO c1n[nH]cc1CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000289997722 386303131 /nfs/dbraw/zinc/30/31/31/386303131.db2.gz XXBNCHOFSBRJIG-UHFFFAOYSA-N 1 0 243.310 1.677 20 10 BDCDRO CC(C)[C@@H](O)C[NH2+]Cc1cc(F)ccc1O ZINC000226608792 386345149 /nfs/dbraw/zinc/34/51/49/386345149.db2.gz DYADZUVHGNEEOU-LBPRGKRZSA-N 1 0 227.279 1.638 20 10 BDCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000289890538 386366632 /nfs/dbraw/zinc/36/66/32/386366632.db2.gz SRTOTIGARQEDNW-JSGCOSHPSA-N 1 0 249.310 1.125 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCCOCCO)c1 ZINC000227335420 386476546 /nfs/dbraw/zinc/47/65/46/386476546.db2.gz YHQHTQYFDARXOE-UHFFFAOYSA-N 1 0 239.315 1.189 20 10 BDCDRO CC(C)(CCO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000135225137 386497831 /nfs/dbraw/zinc/49/78/31/386497831.db2.gz QLYSUBPJCBWUTM-UHFFFAOYSA-N 1 0 235.327 1.872 20 10 BDCDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccccc1O ZINC000227976210 386527206 /nfs/dbraw/zinc/52/72/06/386527206.db2.gz GVMJINDZUHHTOR-GXFFZTMASA-N 1 0 237.299 1.022 20 10 BDCDRO C[C@H](O)CCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000227963357 386527290 /nfs/dbraw/zinc/52/72/90/386527290.db2.gz HNCBLSYHPIUVBG-NSHDSACASA-N 1 0 235.327 1.872 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC[C@@H](CO)C2)c1 ZINC000295122456 386693399 /nfs/dbraw/zinc/69/33/99/386693399.db2.gz WVCFCBNPSORDRH-YPMHNXCESA-N 1 0 235.327 1.951 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccccc1O ZINC000293729660 386868373 /nfs/dbraw/zinc/86/83/73/386868373.db2.gz URZOQRPYFPHVGE-NSHDSACASA-N 1 0 207.273 1.613 20 10 BDCDRO Nc1ccc(CC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000370016829 387084111 /nfs/dbraw/zinc/08/41/11/387084111.db2.gz CQXNPOWUGNVYBN-ZDUSSCGKSA-N 1 0 247.342 1.070 20 10 BDCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000370016818 387084552 /nfs/dbraw/zinc/08/45/52/387084552.db2.gz CQXNPOWUGNVYBN-CYBMUJFWSA-N 1 0 247.342 1.070 20 10 BDCDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077423737 387910702 /nfs/dbraw/zinc/91/07/02/387910702.db2.gz GVMZZAKAHAGPPY-WDEREUQCSA-N 1 0 235.327 1.728 20 10 BDCDRO C[C@@H](CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295782694 398087716 /nfs/dbraw/zinc/08/77/16/398087716.db2.gz AZVWVETYNIOKNZ-KOLCDFICSA-N 1 0 221.300 1.598 20 10 BDCDRO CCOc1cccc(C[NH2+]CC2COC2)c1O ZINC000527816538 322863694 /nfs/dbraw/zinc/86/36/94/322863694.db2.gz FGMDOMXJSCRHLY-UHFFFAOYSA-N 1 0 237.299 1.527 20 10 BDCDRO CCNC(=O)C[N@H+](CC)Cc1ccccc1O ZINC000133614385 170057473 /nfs/dbraw/zinc/05/74/73/170057473.db2.gz PFUYACNEXGUTTK-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCN(C)C2)cc1 ZINC000042543751 173124465 /nfs/dbraw/zinc/12/44/65/173124465.db2.gz NVCGVMUIBWXUDU-CYBMUJFWSA-N 1 0 233.359 1.546 20 10 BDCDRO CN1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000297509533 173186675 /nfs/dbraw/zinc/18/66/75/173186675.db2.gz CLBFIDQYEITBBP-WDEREUQCSA-N 1 0 246.310 1.200 20 10 BDCDRO CN1C[C@H]([NH2+]Cc2ccccc2O)CCC1=O ZINC000077899904 173194683 /nfs/dbraw/zinc/19/46/83/173194683.db2.gz JIJXAVNNPXPKQT-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO CN1C[C@H]([NH2+][C@@H]2CCc3cccc(O)c32)CC1=O ZINC000297509503 173195707 /nfs/dbraw/zinc/19/57/07/173195707.db2.gz CLBFIDQYEITBBP-GHMZBOCLSA-N 1 0 246.310 1.200 20 10 BDCDRO CNC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000133336605 173223728 /nfs/dbraw/zinc/22/37/28/173223728.db2.gz TUIZDRRJBSGMGS-UHFFFAOYSA-N 1 0 248.326 1.350 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+]Cc1c(O)cccc1Cl ZINC000083552081 173302709 /nfs/dbraw/zinc/30/27/09/173302709.db2.gz MJQYGDDJNGYQEV-ZETCQYMHSA-N 1 0 242.706 1.270 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1O ZINC000042561414 173303830 /nfs/dbraw/zinc/30/38/30/173303830.db2.gz UPCQXQGLOBJMJO-ZJUUUORDSA-N 1 0 236.315 1.486 20 10 BDCDRO COCCCC[NH2+]Cc1cc(OC)ccc1O ZINC000044656703 174200629 /nfs/dbraw/zinc/20/06/29/174200629.db2.gz GJGPETRMRGWWNE-UHFFFAOYSA-N 1 0 239.315 1.917 20 10 BDCDRO COCCC[NH2+]Cc1cccc(C)c1O ZINC000083345876 174248124 /nfs/dbraw/zinc/24/81/24/174248124.db2.gz IZXWPZTXEWQNOA-UHFFFAOYSA-N 1 0 209.289 1.827 20 10 BDCDRO COCC[N@H+](C)Cc1cccc(C)c1O ZINC000162808642 174280159 /nfs/dbraw/zinc/28/01/59/174280159.db2.gz NYLUMCACNIPGEX-UHFFFAOYSA-N 1 0 209.289 1.779 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC000180634287 175158242 /nfs/dbraw/zinc/15/82/42/175158242.db2.gz IOLBFYOOOUCRDW-CYBMUJFWSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)CO)c1 ZINC000083215475 175158577 /nfs/dbraw/zinc/15/85/77/175158577.db2.gz LAIUGMKDMMIOLV-VIFPVBQESA-N 1 0 225.288 1.119 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCN(C)C2)c1 ZINC000042545252 175158721 /nfs/dbraw/zinc/15/87/21/175158721.db2.gz MOQWQIYSHSIMTC-LLVKDONJSA-N 1 0 236.315 1.195 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2CCOC2)c1 ZINC000037738330 175159188 /nfs/dbraw/zinc/15/91/88/175159188.db2.gz SIFKFWMOXHDSLH-JTQLQIEISA-N 1 0 237.299 1.527 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CCCO)c1 ZINC000020188109 175160470 /nfs/dbraw/zinc/16/04/70/175160470.db2.gz QSASMZUUAVLDHX-VIFPVBQESA-N 1 0 225.288 1.434 20 10 BDCDRO COc1cccc(C[N@H+](CCO)C(C)C)c1O ZINC000271052211 175256752 /nfs/dbraw/zinc/25/67/52/175256752.db2.gz WTJJDIBZSMYWDX-UHFFFAOYSA-N 1 0 239.315 1.604 20 10 BDCDRO COc1cccc(C[NH2+]CC2CC2)c1O ZINC000019884820 175263077 /nfs/dbraw/zinc/26/30/77/175263077.db2.gz BRLWASJXJJXRDT-UHFFFAOYSA-N 1 0 207.273 1.900 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)[C@@H](C)CO)c1O ZINC000077421972 175265402 /nfs/dbraw/zinc/26/54/02/175265402.db2.gz YNSVVNCQDGCUAB-UWVGGRQHSA-N 1 0 239.315 1.507 20 10 BDCDRO C[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1O ZINC000277915003 176344862 /nfs/dbraw/zinc/34/48/62/176344862.db2.gz PQNYJUPRZUSKRM-ZYHUDNBSSA-N 1 0 221.300 1.907 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC2COC2)c1 ZINC000529674020 324376333 /nfs/dbraw/zinc/37/63/33/324376333.db2.gz JMRWYUYEZZRCSF-UHFFFAOYSA-N 1 0 223.272 1.137 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1COCCN1)c1ccccc1O ZINC000530218582 324535897 /nfs/dbraw/zinc/53/58/97/324535897.db2.gz CVRWBYJEPWMBMJ-GHMZBOCLSA-N 1 0 236.315 1.031 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000294728946 488025639 /nfs/dbraw/zinc/02/56/39/488025639.db2.gz BLYBOACRYWYIRB-PHIMTYICSA-N 1 0 207.273 1.314 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@@H](C)c1cc(OC)ccc1O ZINC000854231376 588781193 /nfs/dbraw/zinc/78/11/93/588781193.db2.gz GSKJPQUSAUWNCD-ZJUUUORDSA-N 1 0 238.331 1.659 20 10 BDCDRO C[NH+](C)CC1CN(C(=O)C2=CC(=O)CS2)C1 ZINC000854722284 588804074 /nfs/dbraw/zinc/80/40/74/588804074.db2.gz RQJSRYHOQSQTJT-UHFFFAOYSA-N 1 0 240.328 1.087 20 10 BDCDRO COc1ccc(C[NH2+]CCCF)c(O)c1OC ZINC000893124291 583052902 /nfs/dbraw/zinc/05/29/02/583052902.db2.gz WBLOKQJSFZWKNC-UHFFFAOYSA-N 1 0 243.278 1.859 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@H]1CO ZINC000857061319 588884910 /nfs/dbraw/zinc/88/49/10/588884910.db2.gz OIGGLOUYIHGJDY-DGCLKSJQSA-N 1 0 235.327 1.843 20 10 BDCDRO CO[C@@H](C)C[NH2+]Cc1ccc(C)cc1O ZINC000877465309 583316170 /nfs/dbraw/zinc/31/61/70/583316170.db2.gz SWUAWPOBVKGJEA-JTQLQIEISA-N 1 0 209.289 1.825 20 10 BDCDRO COc1cc(C)cc(C[NH2+]CC(C)(C)O)c1O ZINC000894259928 583398563 /nfs/dbraw/zinc/39/85/63/583398563.db2.gz IXHORPBWDNMXMT-UHFFFAOYSA-N 1 0 239.315 1.570 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)CF)c(O)c1OC ZINC000894600921 583491523 /nfs/dbraw/zinc/49/15/23/583491523.db2.gz NTWFTRQVUSFPBR-QMMMGPOBSA-N 1 0 243.278 1.857 20 10 BDCDRO C[C@H](CO)[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000894771227 583516758 /nfs/dbraw/zinc/51/67/58/583516758.db2.gz ZNFXQLOQFKEUMF-SSDOTTSWSA-N 1 0 231.242 1.483 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@@H]1COCO1 ZINC000894873981 583540835 /nfs/dbraw/zinc/54/08/35/583540835.db2.gz UQAZLSUMFZIKIP-MRVPVSSYSA-N 1 0 243.690 1.508 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895656476 583701914 /nfs/dbraw/zinc/70/19/14/583701914.db2.gz YXAYCCFEAZUCEM-ZFWWWQNUSA-N 1 0 246.354 1.628 20 10 BDCDRO CN(C)c1cc(F)c(C[NH2+]CCCO)cc1F ZINC000858086366 588931036 /nfs/dbraw/zinc/93/10/36/588931036.db2.gz GXBPUGNALRRIFD-UHFFFAOYSA-N 1 0 244.285 1.503 20 10 BDCDRO C[C@H](CO)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858106186 588933698 /nfs/dbraw/zinc/93/36/98/588933698.db2.gz GSJMQWDJHQYDDB-MRVPVSSYSA-N 1 0 244.285 1.501 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897357606 583936780 /nfs/dbraw/zinc/93/67/80/583936780.db2.gz LQXOQDXTKHKUFR-XYPYZODXSA-N 1 0 221.300 1.561 20 10 BDCDRO CC(C)[C@@H]([NH3+])CNCc1ccc2c(c1)CCO2 ZINC000841028162 584025737 /nfs/dbraw/zinc/02/57/37/584025737.db2.gz BWWRFULMKPIYOZ-ZDUSSCGKSA-N 1 0 234.343 1.694 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897680530 584037800 /nfs/dbraw/zinc/03/78/00/584037800.db2.gz SGAMOMRIGLTCBV-MFKMUULPSA-N 1 0 235.327 1.767 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000898188127 584094490 /nfs/dbraw/zinc/09/44/90/584094490.db2.gz KGDUNVCQJLOXQC-YPMHNXCESA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1cc(O)c(CN[C@H]2CC[NH2+]C2)c(Cl)c1 ZINC000841045068 584122479 /nfs/dbraw/zinc/12/24/79/584122479.db2.gz NBFDBFHDSDZRFB-VIFPVBQESA-N 1 0 240.734 1.806 20 10 BDCDRO COc1cccc(O)c1CNCC1([NH3+])CCC1 ZINC000841050038 584124863 /nfs/dbraw/zinc/12/48/63/584124863.db2.gz CYLIOFGKNGJXBS-UHFFFAOYSA-N 1 0 236.315 1.372 20 10 BDCDRO C[C@H](NC(=[NH2+])NCc1ccccc1O)C1CC1 ZINC000899266059 584189474 /nfs/dbraw/zinc/18/94/74/584189474.db2.gz PCVPSLMIBPOIBT-VIFPVBQESA-N 1 0 233.315 1.805 20 10 BDCDRO C[C@@H](NC(=[NH2+])NCc1ccccc1O)C1CC1 ZINC000899266058 584189763 /nfs/dbraw/zinc/18/97/63/584189763.db2.gz PCVPSLMIBPOIBT-SECBINFHSA-N 1 0 233.315 1.805 20 10 BDCDRO Nc1ccc(NC[C@H]([NH3+])CC(F)F)cc1 ZINC000903917482 584827201 /nfs/dbraw/zinc/82/72/01/584827201.db2.gz MESROCWVNWDEAR-MRVPVSSYSA-N 1 0 215.247 1.663 20 10 BDCDRO COc1ccc2c(c1)CCN2C[C@H]1C[C@@H]([NH3+])C1 ZINC000904301388 584861623 /nfs/dbraw/zinc/86/16/23/584861623.db2.gz FSUXOBHBGQWRMK-KLPPZKSPSA-N 1 0 232.327 1.795 20 10 BDCDRO [NH3+][C@@H](CNCc1ccc2c(c1)CCCO2)C1CC1 ZINC000904355461 584871379 /nfs/dbraw/zinc/87/13/79/584871379.db2.gz NYYSKDABVXZCNC-AWEZNQCLSA-N 1 0 246.354 1.839 20 10 BDCDRO c1cc2c(cc1C[NH2+][C@H]1CNOC1)CCCO2 ZINC000904424189 584881247 /nfs/dbraw/zinc/88/12/47/584881247.db2.gz PGBOZFVMIURNEL-LBPRGKRZSA-N 1 0 234.299 1.005 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](CO)C2CC2)cc1C ZINC000734161249 584959137 /nfs/dbraw/zinc/95/91/37/584959137.db2.gz OIFQUQSOYIDLMV-ZDUSSCGKSA-N 1 0 235.327 1.864 20 10 BDCDRO C[C@@H]([NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971847 584993531 /nfs/dbraw/zinc/99/35/31/584993531.db2.gz HTTHQUSQVAMYDZ-RNFRBKRXSA-N 1 0 230.258 1.668 20 10 BDCDRO Cc1cc(O)c(C[NH+]2CC(C)(CO)C2)cc1C ZINC000839145964 585092292 /nfs/dbraw/zinc/09/22/92/585092292.db2.gz XQKXTRNIMINFAJ-UHFFFAOYSA-N 1 0 235.327 1.823 20 10 BDCDRO Cc1cc(O)c(C[NH+]2CC(CCO)C2)cc1C ZINC000839140807 585094474 /nfs/dbraw/zinc/09/44/74/585094474.db2.gz QHRDFEOKFXYZSR-UHFFFAOYSA-N 1 0 235.327 1.823 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCCNC2=O)c1O ZINC000839196147 585098740 /nfs/dbraw/zinc/09/87/40/585098740.db2.gz SBGGEMQGCIFMSM-LBPRGKRZSA-N 1 0 248.326 1.316 20 10 BDCDRO C[C@@H](CC[NH+](C)C)NC(=O)C1=CC(=O)CS1 ZINC000748362325 585191525 /nfs/dbraw/zinc/19/15/25/585191525.db2.gz FCEQSGCLMOHSHS-QMMMGPOBSA-N 1 0 242.344 1.524 20 10 BDCDRO COc1cc(C)cc(CN2CC(OC)C2)c1O ZINC000754741643 585290276 /nfs/dbraw/zinc/29/02/76/585290276.db2.gz MGFITZHJKFAOSP-UHFFFAOYSA-N 1 0 237.299 1.540 20 10 BDCDRO Cc1cccc(C[N@@H+](C)C2CC(O)C2)c1O ZINC000761223838 585412357 /nfs/dbraw/zinc/41/23/57/585412357.db2.gz SIRIJEDPBUMKIJ-UHFFFAOYSA-N 1 0 221.300 1.656 20 10 BDCDRO COc1cccc(O)c1CN1CC[NH2+][C@H](C)C1 ZINC000768140884 585532587 /nfs/dbraw/zinc/53/25/87/585532587.db2.gz YKGZKFXRWJJFKI-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)CC(C)(C)O ZINC000769425831 585555872 /nfs/dbraw/zinc/55/58/72/585555872.db2.gz XAIFPWPKALYMKJ-UHFFFAOYSA-N 1 0 239.315 1.604 20 10 BDCDRO CC[NH+](CC)CCOC(=O)C1=CC(=O)CS1 ZINC000772113088 585608688 /nfs/dbraw/zinc/60/86/88/585608688.db2.gz HGXCZVHNYKLEEM-UHFFFAOYSA-N 1 0 243.328 1.952 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCC(C)(C)O ZINC000775368598 585676394 /nfs/dbraw/zinc/67/63/94/585676394.db2.gz JUFWRYHIBMFNGW-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H](O)C[N@H+](C)Cc1ccc(N(C)C)c(F)c1 ZINC000776521537 585699980 /nfs/dbraw/zinc/69/99/80/585699980.db2.gz SAKXSUDSCYASGQ-JTQLQIEISA-N 1 0 240.322 1.704 20 10 BDCDRO CCOCC[N@H+](C)Cc1c(O)cccc1OC ZINC000779598467 585756706 /nfs/dbraw/zinc/75/67/06/585756706.db2.gz JMUSCGMVFALFGA-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO CC[NH+](CC)CCSCC(=O)C(C)=O ZINC000808023846 586459582 /nfs/dbraw/zinc/45/95/82/586459582.db2.gz ANVZWWIKUGLRIT-UHFFFAOYSA-N 1 0 217.334 1.220 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)c(F)c1)[C@H](C)O ZINC000808425216 586472427 /nfs/dbraw/zinc/47/24/27/586472427.db2.gz QRBFPLJEVZLJFJ-ZJUUUORDSA-N 1 0 240.322 1.751 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)C1CC1 ZINC000809750929 586517281 /nfs/dbraw/zinc/51/72/81/586517281.db2.gz CAMILIZLYVBQHG-ZDUSSCGKSA-N 1 0 221.300 1.595 20 10 BDCDRO CN(C)c1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000817894128 586833642 /nfs/dbraw/zinc/83/36/42/586833642.db2.gz BYCDORRBKJPBFS-KBPBESRZSA-N 1 0 233.359 1.722 20 10 BDCDRO C[C@H](N[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000817939747 586844067 /nfs/dbraw/zinc/84/40/67/586844067.db2.gz BMYSOVIDKKVCGA-QWRGUYRKSA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@@H](N[C@H]1CCC[NH2+]C1)c1ccccc1O ZINC000817939745 586844902 /nfs/dbraw/zinc/84/49/02/586844902.db2.gz BMYSOVIDKKVCGA-MNOVXSKESA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@@H](N[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1O ZINC000817940481 586845424 /nfs/dbraw/zinc/84/54/24/586845424.db2.gz ICLBGZVTQSBFHF-MWLCHTKSSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945071 586845815 /nfs/dbraw/zinc/84/58/15/586845815.db2.gz SPMLADFWIXWHQA-SCZZXKLOSA-N 1 0 224.279 1.544 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)N[C@H]2CC[NH2+]C2)c1 ZINC000817944779 586846193 /nfs/dbraw/zinc/84/61/93/586846193.db2.gz LRCLZLLCIOMEPU-MNOVXSKESA-N 1 0 220.316 1.713 20 10 BDCDRO C[C@H](N[C@H]1CC[NH2+]C1)c1ccc(N(C)C)cc1 ZINC000817944411 586846639 /nfs/dbraw/zinc/84/66/39/586846639.db2.gz BHAQGXOCSNXNLP-AAEUAGOBSA-N 1 0 233.359 1.765 20 10 BDCDRO CC[NH2+]CCN[C@@H](C)c1cc(C)ccc1O ZINC000817951611 586847515 /nfs/dbraw/zinc/84/75/15/586847515.db2.gz HIDRLLHWRJWMBD-NSHDSACASA-N 1 0 222.332 1.961 20 10 BDCDRO C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(F)cc1[O-] ZINC000817951243 586847700 /nfs/dbraw/zinc/84/77/00/586847700.db2.gz CGLPMKZKSXVONN-DTWKUNHWSA-N 1 0 226.295 1.919 20 10 BDCDRO Oc1cccc2c1[C@@H](NCC[NH2+]C1CC1)CC2 ZINC000817952560 586848061 /nfs/dbraw/zinc/84/80/61/586848061.db2.gz FVXXUNYWHXQZHR-LBPRGKRZSA-N 1 0 232.327 1.721 20 10 BDCDRO C[NH2+]CCN[C@H]1C[C@H](C)c2c1c(O)ccc2F ZINC000817952596 586848071 /nfs/dbraw/zinc/84/80/71/586848071.db2.gz RULDXIWTMGXGDA-WPRPVWTQSA-N 1 0 238.306 1.889 20 10 BDCDRO CC[C@H](NCC[NH2+]C)c1ccc(C)cc1O ZINC000817953290 586848857 /nfs/dbraw/zinc/84/88/57/586848857.db2.gz YUFDFXMVLAVGMP-LBPRGKRZSA-N 1 0 222.332 1.961 20 10 BDCDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955711 586849826 /nfs/dbraw/zinc/84/98/26/586849826.db2.gz FVJZTQWWVDJCDW-RISCZKNCSA-N 1 0 233.359 1.351 20 10 BDCDRO C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817962950 586852949 /nfs/dbraw/zinc/85/29/49/586852949.db2.gz PSQFSFXASMLSHY-BDAKNGLRSA-N 1 0 226.295 1.777 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H](C)CN)c(O)c1 ZINC000817970078 586855965 /nfs/dbraw/zinc/85/59/65/586855965.db2.gz KXZSUOZHJSOMTJ-VHSXEESVSA-N 1 0 208.305 1.698 20 10 BDCDRO CCOc1ccc(C[NH2+][C@@H]2CC[C@H]2O)c(O)c1 ZINC000818231933 586880887 /nfs/dbraw/zinc/88/08/87/586880887.db2.gz XKIMGWYJBFGXTN-VXGBXAGGSA-N 1 0 237.299 1.404 20 10 BDCDRO C[N@H+](CCc1c[nH]nn1)Cc1ccccc1O ZINC000821390767 587115871 /nfs/dbraw/zinc/11/58/71/587115871.db2.gz DTYUVEKIVGIIAV-UHFFFAOYSA-N 1 0 232.287 1.185 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@H]3CCN(C)[C@H]3C2)c1 ZINC000824892879 587292134 /nfs/dbraw/zinc/29/21/34/587292134.db2.gz DNFWGVYJBKGGTL-OCCSQVGLSA-N 1 0 246.354 1.837 20 10 BDCDRO CCc1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827291469 587375463 /nfs/dbraw/zinc/37/54/63/587375463.db2.gz LJTKQBSCILSQOY-DZGCQCFKSA-N 1 0 247.338 1.911 20 10 BDCDRO CCc1cccc(C[NH2+]C2([C@H](C)O)CC2)c1O ZINC000827585511 587390438 /nfs/dbraw/zinc/39/04/38/587390438.db2.gz KOBHSTOCOLOSOM-JTQLQIEISA-N 1 0 235.327 1.958 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](O)C2)cc1Cl ZINC000827832632 587404659 /nfs/dbraw/zinc/40/46/59/587404659.db2.gz QKGZMLNXEKKTOD-MGCOHNPYSA-N 1 0 241.718 1.967 20 10 BDCDRO CCc1cccc(C[N@H+](C)C2(CO)CC2)c1O ZINC000827898236 587408369 /nfs/dbraw/zinc/40/83/69/587408369.db2.gz IABOWNREQHSFHU-UHFFFAOYSA-N 1 0 235.327 1.911 20 10 BDCDRO C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1O ZINC000827977947 587414503 /nfs/dbraw/zinc/41/45/03/587414503.db2.gz DARVTNUONIKZOJ-CMPLNLGQSA-N 1 0 248.326 1.664 20 10 BDCDRO C[C@H]1C[C@@H](C(=O)Nc2ccc(N)cc2)CC[NH2+]1 ZINC000832244433 587652378 /nfs/dbraw/zinc/65/23/78/587652378.db2.gz SQPAUACIMJJYQN-UWVGGRQHSA-N 1 0 233.315 1.595 20 10 BDCDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(N)cc1 ZINC000834361295 587753116 /nfs/dbraw/zinc/75/31/16/587753116.db2.gz HLSQBNXQQPUVST-ZYHUDNBSSA-N 1 0 247.342 1.007 20 10 BDCDRO C[C@@H]1C[C@H](NC(=O)Cc2ccc(N)cc2)CC[NH2+]1 ZINC000834673851 587763851 /nfs/dbraw/zinc/76/38/51/587763851.db2.gz WUSVVXMYTCYGQE-ZWNOBZJWSA-N 1 0 247.342 1.068 20 10 BDCDRO CN(C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000840958743 587932549 /nfs/dbraw/zinc/93/25/49/587932549.db2.gz UKOFZNOOHIXRRG-GFCCVEGCSA-N 1 0 248.326 1.302 20 10 BDCDRO C[NH2+]CCNCc1cc(Cl)cc(C)c1O ZINC000841037263 587934619 /nfs/dbraw/zinc/93/46/19/587934619.db2.gz VFEMRXFYTZDKPZ-UHFFFAOYSA-N 1 0 228.723 1.663 20 10 BDCDRO C[C@H]1OCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841033807 587937214 /nfs/dbraw/zinc/93/72/14/587937214.db2.gz BJOZTJLHIXCFEN-ZWNOBZJWSA-N 1 0 220.316 1.578 20 10 BDCDRO C[C@@H](Cn1cccn1)[NH2+]CCc1ccc(N)cc1 ZINC000841033845 587937232 /nfs/dbraw/zinc/93/72/32/587937232.db2.gz BXOBHBASLRUZHH-LBPRGKRZSA-N 1 0 244.342 1.686 20 10 BDCDRO Cc1nn(C)cc1C[NH2+]CCc1ccc(N)cc1 ZINC000841036584 587937444 /nfs/dbraw/zinc/93/74/44/587937444.db2.gz WOQNXSHGXQDHTH-UHFFFAOYSA-N 1 0 244.342 1.643 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2CCC[NH2+]C2)c1 ZINC000841043051 587939041 /nfs/dbraw/zinc/93/90/41/587939041.db2.gz NLLIFEQHXKWEMN-GFCCVEGCSA-N 1 0 220.316 1.542 20 10 BDCDRO CN(C)c1ccc(/C=C/CN[C@H]2CC[NH2+]C2)cc1 ZINC000841045490 587939073 /nfs/dbraw/zinc/93/90/73/587939073.db2.gz WJEULSHDCWYREH-XGACYXMMSA-N 1 0 245.370 1.717 20 10 BDCDRO COc1cccc(O)c1CNC[C@@H]([NH3+])C1CC1 ZINC000841051184 587940232 /nfs/dbraw/zinc/94/02/32/587940232.db2.gz VBDIBZMMQBKUPM-LLVKDONJSA-N 1 0 236.315 1.228 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1cc(F)ccc1O ZINC000841058454 587940467 /nfs/dbraw/zinc/94/04/67/587940467.db2.gz HEMWVDSLODJIKO-SKDRFNHKSA-N 1 0 238.306 1.619 20 10 BDCDRO C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])CC[NH2+]1 ZINC000841061164 587941342 /nfs/dbraw/zinc/94/13/42/587941342.db2.gz FRFTWNBXPGAIAV-GXSJLCMTSA-N 1 0 238.306 1.761 20 10 BDCDRO CC[C@H]([NH3+])CNCc1c(O)cccc1Cl ZINC000841071335 587942456 /nfs/dbraw/zinc/94/24/56/587942456.db2.gz DECIXAQDMAQPMS-QMMMGPOBSA-N 1 0 228.723 1.873 20 10 BDCDRO CCOc1ccc(CN(C)CC[NH3+])c(O)c1 ZINC000841099894 587946264 /nfs/dbraw/zinc/94/62/64/587946264.db2.gz QDHOFDDYZKIXGL-UHFFFAOYSA-N 1 0 224.304 1.181 20 10 BDCDRO CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(N)cc1 ZINC000841846774 587977438 /nfs/dbraw/zinc/97/74/38/587977438.db2.gz UGUYVZVNEBGULT-LBPRGKRZSA-N 1 0 247.342 1.986 20 10 BDCDRO CC(=O)c1cc(F)cc(CN(C)CC[NH3+])c1O ZINC000842479481 588029911 /nfs/dbraw/zinc/02/99/11/588029911.db2.gz UTIARWBCNAFOJH-UHFFFAOYSA-N 1 0 240.278 1.124 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CCC[NH2+]CC1 ZINC000843045588 588075855 /nfs/dbraw/zinc/07/58/55/588075855.db2.gz VSQKIHXFMCFOST-UHFFFAOYSA-N 1 0 247.386 1.856 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@@H]([NH3+])C2)cc1F ZINC000843045194 588076246 /nfs/dbraw/zinc/07/62/46/588076246.db2.gz OWYCOWJILIBLTD-LLVKDONJSA-N 1 0 237.322 1.425 20 10 BDCDRO C[NH2+][C@H]1CCCN(Cc2cccc(C)c2O)C1 ZINC000843048558 588076804 /nfs/dbraw/zinc/07/68/04/588076804.db2.gz HIASOABELCXPLI-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1cccc(F)c1O ZINC000843057228 588077897 /nfs/dbraw/zinc/07/78/97/588077897.db2.gz GXSVQLWCTJRGIF-VHSXEESVSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1cccc(CN2CC[NH2+][C@@H](C)[C@@H]2C)c1O ZINC000843058278 588077925 /nfs/dbraw/zinc/07/79/25/588077925.db2.gz QSMRZGWLHWAIGT-RYUDHWBXSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@H]1C[NH2+]C[C@H](NCCc2ccc(N)cc2)C1 ZINC000843127137 588085106 /nfs/dbraw/zinc/08/51/06/588085106.db2.gz ZRQPHGCBKYBMQS-BXUZGUMPSA-N 1 0 233.359 1.399 20 10 BDCDRO CC(C)(CCC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000843481699 588114531 /nfs/dbraw/zinc/11/45/31/588114531.db2.gz NEIWTVNBMAAKMB-UHFFFAOYSA-N 1 0 249.358 1.445 20 10 BDCDRO C[C@H](CCO)[N@H+](C)Cc1ccccc1O ZINC000846110947 588257271 /nfs/dbraw/zinc/25/72/71/588257271.db2.gz LNVLAFAKOHTMKA-SNVBAGLBSA-N 1 0 209.289 1.595 20 10 BDCDRO COCC[NH2+][C@H](C)c1cccc(OC)c1O ZINC000846135645 588258451 /nfs/dbraw/zinc/25/84/51/588258451.db2.gz FIRJHWQHXVWSNS-SECBINFHSA-N 1 0 225.288 1.698 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1O ZINC000846189516 588259582 /nfs/dbraw/zinc/25/95/82/588259582.db2.gz MAFRFUJZWHDJAO-LPEHRKFASA-N 1 0 234.299 1.307 20 10 BDCDRO C[C@@H]([NH2+][C@H](CO)CCF)c1ccccc1O ZINC000846207677 588259794 /nfs/dbraw/zinc/25/97/94/588259794.db2.gz BCJSORLFVRDVDB-ZJUUUORDSA-N 1 0 227.279 1.763 20 10 BDCDRO C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000846701857 588283877 /nfs/dbraw/zinc/28/38/77/588283877.db2.gz DUANCMORAXKYFR-GXSJLCMTSA-N 1 0 238.306 1.843 20 10 BDCDRO Nc1ccc(N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000848715186 588408011 /nfs/dbraw/zinc/40/80/11/588408011.db2.gz PSWZBZUJYRCSDI-JQWIXIFHSA-N 1 0 205.305 1.951 20 10 BDCDRO [NH3+]C[C@@H](NCc1ccccc1O)C(F)(F)F ZINC000848716374 588408124 /nfs/dbraw/zinc/40/81/24/588408124.db2.gz XJVBGLZNTFNKAE-SECBINFHSA-N 1 0 234.221 1.371 20 10 BDCDRO CCc1cccc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC000848883303 588417291 /nfs/dbraw/zinc/41/72/91/588417291.db2.gz LWAIEMWNTKEGTQ-UHFFFAOYSA-N 1 0 248.326 1.277 20 10 BDCDRO COc1ccc(CNC(=[NH2+])NC2CC2)c(O)c1 ZINC000849025130 588440232 /nfs/dbraw/zinc/44/02/32/588440232.db2.gz OPTUKCXXHLXMPV-UHFFFAOYSA-N 1 0 235.287 1.177 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c(O)c1 ZINC000850577889 588561158 /nfs/dbraw/zinc/56/11/58/588561158.db2.gz DYLBHEQSEROZOG-DCAQKATOSA-N 1 0 221.300 1.875 20 10 BDCDRO Nc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000852790491 588702915 /nfs/dbraw/zinc/70/29/15/588702915.db2.gz QWCAFEBSUQVLAO-UHFFFAOYSA-N 1 0 205.261 1.089 20 10 BDCDRO CC[C@@H](C)[N@H+](CCO)Cc1ccccc1O ZINC000862386734 589206054 /nfs/dbraw/zinc/20/60/54/589206054.db2.gz BBNILDCQPWUILM-LLVKDONJSA-N 1 0 223.316 1.985 20 10 BDCDRO COc1cccc(CN2CC3(C2)CCCO3)c1O ZINC000862484455 589216815 /nfs/dbraw/zinc/21/68/15/589216815.db2.gz PHZWZCQKWXZYCE-UHFFFAOYSA-N 1 0 249.310 1.766 20 10 BDCDRO Cc1cccc(CN[C@@H]2CC[C@H](C)[NH2+]C2)c1O ZINC000863483822 589293294 /nfs/dbraw/zinc/29/32/94/589293294.db2.gz DULUZDOYRXOHSY-WCQYABFASA-N 1 0 234.343 1.931 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000863485287 589293322 /nfs/dbraw/zinc/29/33/22/589293322.db2.gz YGKQRBACZSRZBS-SMDDNHRTSA-N 1 0 246.354 1.852 20 10 BDCDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccc(F)cc1O ZINC000863547801 589298397 /nfs/dbraw/zinc/29/83/97/589298397.db2.gz ZQQKIENLKOAHPA-HOTUBEGUSA-N 1 0 238.306 1.932 20 10 BDCDRO C[C@H](N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000863547709 589298403 /nfs/dbraw/zinc/29/84/03/589298403.db2.gz WBRJBFLVGWUPCA-JBLDHEPKSA-N 1 0 220.316 1.793 20 10 BDCDRO C[N@H+](CC(=O)NCc1ccccc1O)C1CCC1 ZINC000863863634 589323919 /nfs/dbraw/zinc/32/39/19/589323919.db2.gz YUMIIDOOWSLAHH-UHFFFAOYSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(N(C)C)cc1 ZINC000864450603 589364077 /nfs/dbraw/zinc/36/40/77/589364077.db2.gz RFFORTBKPRJUPR-MFKMUULPSA-N 1 0 246.358 1.775 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)C(C)(C)O ZINC000122089826 589553888 /nfs/dbraw/zinc/55/38/88/589553888.db2.gz LWIQRJVCTPHOIV-SECBINFHSA-N 1 0 209.289 1.641 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870932268 589697538 /nfs/dbraw/zinc/69/75/38/589697538.db2.gz BLXWYQIJQQBAKB-AOOOYVTPSA-N 1 0 233.315 1.725 20 10 BDCDRO Nc1ccc(NC(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)cc1 ZINC000870932522 589698258 /nfs/dbraw/zinc/69/82/58/589698258.db2.gz HHUPBBWZRPYENR-IYYTYJHQSA-N 1 0 231.299 1.335 20 10 BDCDRO C[C@@H](NC(=O)C[C@@H]([NH3+])C1CC1)c1ccccc1O ZINC000870988541 589706825 /nfs/dbraw/zinc/70/68/25/589706825.db2.gz SCYPGYZZEJNXNI-BXKDBHETSA-N 1 0 248.326 1.697 20 10 BDCDRO C[C@@H]([NH3+])CCC(=O)N[C@@H](C)c1ccccc1O ZINC000870988432 589706887 /nfs/dbraw/zinc/70/68/87/589706887.db2.gz PDNNQAGSIKKXDJ-ZJUUUORDSA-N 1 0 236.315 1.697 20 10 BDCDRO C[C@@H](NC(=O)CCCC[NH3+])c1ccccc1O ZINC000870988303 589706931 /nfs/dbraw/zinc/70/69/31/589706931.db2.gz MESNODMMMIHFAY-SNVBAGLBSA-N 1 0 236.315 1.698 20 10 BDCDRO C[C@@H](NC(=O)C[C@H]1CC[NH2+]C1)c1ccccc1O ZINC000870988674 589706960 /nfs/dbraw/zinc/70/69/60/589706960.db2.gz WNXNPEQXXGGETJ-GHMZBOCLSA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@H](NC(=O)[C@H](C)[NH2+]C1CC1)c1ccccc1O ZINC000870988615 589707044 /nfs/dbraw/zinc/70/70/44/589707044.db2.gz VATPWBINCHFODC-UWVGGRQHSA-N 1 0 248.326 1.710 20 10 BDCDRO CC[S@](=O)CC[NH2+]Cc1ccccc1O ZINC000123680606 589769489 /nfs/dbraw/zinc/76/94/89/589769489.db2.gz MINWTAQVDORXTB-OAHLLOKOSA-N 1 0 227.329 1.250 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000123859912 589830895 /nfs/dbraw/zinc/83/08/95/589830895.db2.gz HQYYEGYORJWPDJ-GFCCVEGCSA-N 1 0 248.326 1.478 20 10 BDCDRO C[C@@H]1CN(Cc2ccccc2O)C[C@@H](C)[NH2+]1 ZINC000019366942 589889197 /nfs/dbraw/zinc/88/91/97/589889197.db2.gz LHONBGORYCTZFI-GHMZBOCLSA-N 1 0 220.316 1.574 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000872267442 589902771 /nfs/dbraw/zinc/90/27/71/589902771.db2.gz ZXASMBZCYXAMQJ-OKILXGFUSA-N 1 0 246.354 1.831 20 10 BDCDRO CNC(=O)[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000124557574 590050778 /nfs/dbraw/zinc/05/07/78/590050778.db2.gz KTGPYCBWHAXBNH-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO OCC[NH2+]Cc1ccc(N2CCCCC2)cc1 ZINC000020305941 590097091 /nfs/dbraw/zinc/09/70/91/590097091.db2.gz SZRPTYUCPCOOJU-UHFFFAOYSA-N 1 0 234.343 1.759 20 10 BDCDRO Nc1ccc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000876504256 590203955 /nfs/dbraw/zinc/20/39/55/590203955.db2.gz KZGQYLXJAHIUII-OCCSQVGLSA-N 1 0 245.326 1.740 20 10 BDCDRO CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000876504066 590203976 /nfs/dbraw/zinc/20/39/76/590203976.db2.gz ITHRCOVQVQZMKI-LBPRGKRZSA-N 1 0 235.331 1.971 20 10 BDCDRO Nc1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000876503896 590204050 /nfs/dbraw/zinc/20/40/50/590204050.db2.gz GULBBZGXYGCKBF-SNVBAGLBSA-N 1 0 217.272 1.255 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@H](O)C1 ZINC000876528376 590208971 /nfs/dbraw/zinc/20/89/71/590208971.db2.gz WHCNWVDMYNRHMO-NSHDSACASA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1ccc(C[NH+]2CCN(C3CC3)CC2)c(O)c1 ZINC000876566920 590217139 /nfs/dbraw/zinc/21/71/39/590217139.db2.gz XHIWDFKWFWBTIJ-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)C2)c(O)c1 ZINC000876589804 590219234 /nfs/dbraw/zinc/21/92/34/590219234.db2.gz PEGNFHSLERUCNX-NSHDSACASA-N 1 0 207.273 1.267 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](CO)C1 ZINC000876660527 590227214 /nfs/dbraw/zinc/22/72/14/590227214.db2.gz UVSHJKDLXDFSOZ-NSHDSACASA-N 1 0 221.300 1.515 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1ccnn1C ZINC000876927536 590258100 /nfs/dbraw/zinc/25/81/00/590258100.db2.gz FLBPWYFBJLOUSU-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO CC[S@](=O)CC[NH2+]Cc1c(C)cccc1O ZINC000877041117 590273471 /nfs/dbraw/zinc/27/34/71/590273471.db2.gz IDTAISBXGWEIRS-INIZCTEOSA-N 1 0 241.356 1.559 20 10 BDCDRO CN(C(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(N)cc1 ZINC000877077803 590279046 /nfs/dbraw/zinc/27/90/46/590279046.db2.gz UYPHPKZAUVDJCY-CYBMUJFWSA-N 1 0 247.342 1.716 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077534 590279291 /nfs/dbraw/zinc/27/92/91/590279291.db2.gz LYEBGIHDDOVAMO-RKDXNWHRSA-N 1 0 221.304 1.215 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CCCN(C)C2=O)c(O)c1 ZINC000877080478 590279759 /nfs/dbraw/zinc/27/97/59/590279759.db2.gz QZXBBVFCKKVZDF-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1ccccc1O ZINC000877258207 590304051 /nfs/dbraw/zinc/30/40/51/590304051.db2.gz XBZGFSSKKGBOBG-ONGXEEELSA-N 1 0 246.310 1.617 20 10 BDCDRO C[C@H](NC(=O)C1([NH3+])CCCC1)c1ccccc1O ZINC000877255465 590304426 /nfs/dbraw/zinc/30/44/26/590304426.db2.gz DSGNVDJKVALNNE-JTQLQIEISA-N 1 0 248.326 1.841 20 10 BDCDRO C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1O ZINC000877256449 590304474 /nfs/dbraw/zinc/30/44/74/590304474.db2.gz WLENZDPKOULSHI-MVVXRAEJSA-N 1 0 246.310 1.035 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1(CO)CCC1 ZINC000877315390 590312813 /nfs/dbraw/zinc/31/28/13/590312813.db2.gz HETRYXYKFGSHNN-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2ccno2)c(O)c1 ZINC000877322423 590317296 /nfs/dbraw/zinc/31/72/96/590317296.db2.gz GKSFLQTYWUEUHM-UHFFFAOYSA-N 1 0 218.256 1.978 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@H](C)CO)c(O)c1 ZINC000877525823 590347425 /nfs/dbraw/zinc/34/74/25/590347425.db2.gz COZVQYJSKMLKPW-SNVBAGLBSA-N 1 0 209.289 1.513 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](C)C[C@@H](O)C1CC1 ZINC000877527729 590349465 /nfs/dbraw/zinc/34/94/65/590349465.db2.gz OFYHAAKNGPOFOY-CQSZACIVSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[N@H+]2CCNC(=O)C[C@@H]2C)c(O)c1 ZINC000877532958 590350206 /nfs/dbraw/zinc/35/02/06/590350206.db2.gz XRMMGXKMOHVEOX-NSHDSACASA-N 1 0 248.326 1.411 20 10 BDCDRO CC[C@H]([NH2+]Cc1c(C)cccc1O)[C@H](C)O ZINC000877569077 590362154 /nfs/dbraw/zinc/36/21/54/590362154.db2.gz ZJOJPWFWQPXVHP-JQWIXIFHSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000877568814 590362392 /nfs/dbraw/zinc/36/23/92/590362392.db2.gz BRDFSWXZSRUEAC-LLVKDONJSA-N 1 0 234.299 1.150 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](O)C1CCC1 ZINC000877574920 590363057 /nfs/dbraw/zinc/36/30/57/590363057.db2.gz ZMKGKVRGRQRHDM-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(CCO)C1 ZINC000877580043 590364745 /nfs/dbraw/zinc/36/47/45/590364745.db2.gz FLMATIWDHGSIDU-UHFFFAOYSA-N 1 0 221.300 1.515 20 10 BDCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000877596599 590370425 /nfs/dbraw/zinc/37/04/25/590370425.db2.gz UWENRDFQRUHZST-LLVKDONJSA-N 1 0 248.326 1.269 20 10 BDCDRO COC(=O)CC1([NH2+]Cc2ccc(C)cc2O)CC1 ZINC000877611771 590372830 /nfs/dbraw/zinc/37/28/30/590372830.db2.gz ZOXNGFISXWWFIU-UHFFFAOYSA-N 1 0 249.310 1.886 20 10 BDCDRO COc1cc(C[NH2+]Cc2cccc(C)c2O)on1 ZINC000877635326 590381028 /nfs/dbraw/zinc/38/10/28/590381028.db2.gz MNBZXRDNHVQJRA-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO COc1cccc(C[NH2+]C2(C)COC2)c1O ZINC000877690564 590393342 /nfs/dbraw/zinc/39/33/42/590393342.db2.gz ARBDLGGMIGVAEL-UHFFFAOYSA-N 1 0 223.272 1.279 20 10 BDCDRO C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2O)C1 ZINC000127714218 590758507 /nfs/dbraw/zinc/75/85/07/590758507.db2.gz SGBABAVXEMQNQV-PWSUYJOCSA-N 1 0 248.326 1.397 20 10 BDCDRO CCN1CC[N@H+](Cc2ccccc2O)C[C@@H]1C ZINC000211385424 591164693 /nfs/dbraw/zinc/16/46/93/591164693.db2.gz NHNRZMHLKUOKDS-LBPRGKRZSA-N 1 0 234.343 1.918 20 10 BDCDRO CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000213967572 591523895 /nfs/dbraw/zinc/52/38/95/591523895.db2.gz UTEQTJKBUJFORV-LLVKDONJSA-N 1 0 221.304 1.581 20 10 BDCDRO CN(CC1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000214061553 591531509 /nfs/dbraw/zinc/53/15/09/591531509.db2.gz KQAPWTVEFQGLBM-UHFFFAOYSA-N 1 0 248.326 1.851 20 10 BDCDRO CC[N@H+](CC(=O)NC)Cc1cc(C)ccc1O ZINC000132612908 591724799 /nfs/dbraw/zinc/72/47/99/591724799.db2.gz SHDUDEIXEFUSNV-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2O)c1O ZINC000133259033 591780932 /nfs/dbraw/zinc/78/09/32/591780932.db2.gz FJFPAGHGHYRMLF-RYUDHWBXSA-N 1 0 221.300 1.704 20 10 BDCDRO CN(C(=O)[C@H]([NH3+])CC1CC1)c1ccc(N)cc1 ZINC000884441711 591935957 /nfs/dbraw/zinc/93/59/57/591935957.db2.gz NTQJKQHYQLGFTL-GFCCVEGCSA-N 1 0 233.315 1.359 20 10 BDCDRO C[N@H+](Cc1ccccc1O)C[C@](C)(O)C(F)F ZINC000886064866 592142146 /nfs/dbraw/zinc/14/21/46/592142146.db2.gz KDPAYUFCLGENJN-LBPRGKRZSA-N 1 0 245.269 1.840 20 10 BDCDRO CN(Cc1cc(F)ccc1O)[C@H]1CC[NH2+]C1 ZINC000220108394 592278128 /nfs/dbraw/zinc/27/81/28/592278128.db2.gz QWQIWMUGIGGBNM-NSHDSACASA-N 1 0 224.279 1.325 20 10 BDCDRO C[C@@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1[NH3+] ZINC000300047733 592501124 /nfs/dbraw/zinc/50/11/24/592501124.db2.gz FJIKTTBFKNAXJO-LDYMZIIASA-N 1 0 240.734 1.825 20 10 BDCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)[C@H](C)C[NH2+]1 ZINC000300434970 592512767 /nfs/dbraw/zinc/51/27/67/592512767.db2.gz DNWZVPBYUJOPDC-NXEZZACHSA-N 1 0 238.306 1.714 20 10 BDCDRO CCN(CC[NH3+])Cc1cc(OC)ccc1O ZINC000300832958 592521566 /nfs/dbraw/zinc/52/15/66/592521566.db2.gz PBYXWSMQKOCCQH-UHFFFAOYSA-N 1 0 224.304 1.181 20 10 BDCDRO C[C@@H](CCO)[NH2+]Cc1cc(Cl)ccc1O ZINC000096811788 635538756 /nfs/dbraw/zinc/53/87/56/635538756.db2.gz YJLFBGHWSUBCNF-QMMMGPOBSA-N 1 0 229.707 1.906 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CNOC2)c1 ZINC000925868610 635576796 /nfs/dbraw/zinc/57/67/96/635576796.db2.gz FERXRQJSJVBEGO-UWVGGRQHSA-N 1 0 222.288 1.255 20 10 BDCDRO CCOc1cccc(CN(C)C[C@@H](C)[NH3+])c1O ZINC000310327579 635611172 /nfs/dbraw/zinc/61/11/72/635611172.db2.gz ZGYUFLQMXBNJLQ-SNVBAGLBSA-N 1 0 238.331 1.570 20 10 BDCDRO C[C@H]1CCC[N@H+](Cc2ccccc2O)[C@H]1CN ZINC000252219789 635640817 /nfs/dbraw/zinc/64/08/17/635640817.db2.gz YSGNHAYMMQYRNB-AAEUAGOBSA-N 1 0 234.343 1.951 20 10 BDCDRO Cc1cc(C[N@@H+]2CC[C@H]2CO)ccc1N(C)C ZINC000934019358 631616051 /nfs/dbraw/zinc/61/60/51/631616051.db2.gz PLOSJVAVOXURCI-ZDUSSCGKSA-N 1 0 234.343 1.628 20 10 BDCDRO OC[C@H](CC1CC1)[NH2+]Cc1ccccc1O ZINC000309560740 632534357 /nfs/dbraw/zinc/53/43/57/632534357.db2.gz JEEQCYZKOAQYOJ-LBPRGKRZSA-N 1 0 221.300 1.643 20 10 BDCDRO C[C@@H](C[NH3+])NCc1ccc(N(C)C)cc1 ZINC000162082847 632872753 /nfs/dbraw/zinc/87/27/53/632872753.db2.gz KIPUAWUECVAZQO-JTQLQIEISA-N 1 0 207.321 1.189 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1ccc2c(c1)CCO2 ZINC000162155307 633023988 /nfs/dbraw/zinc/02/39/88/633023988.db2.gz BARNLDVEHHJHDL-SNVBAGLBSA-N 1 0 220.316 1.319 20 10 BDCDRO Cc1cccc(C[N@H+](C)CCC[NH3+])c1O ZINC000309416879 633040932 /nfs/dbraw/zinc/04/09/32/633040932.db2.gz JIKJWUJRHDTBFN-UHFFFAOYSA-N 1 0 208.305 1.481 20 10 BDCDRO Cc1cn[nH]c1C[NH2+]Cc1ccccc1O ZINC000309419771 633046546 /nfs/dbraw/zinc/04/65/46/633046546.db2.gz AIQWGUNJKFXZIB-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)CC(N)=O)c1O ZINC000162704813 634296596 /nfs/dbraw/zinc/29/65/96/634296596.db2.gz ZIQVBPYOGJWKIE-SECBINFHSA-N 1 0 222.288 1.054 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCOC2)c1O ZINC000162872238 635143588 /nfs/dbraw/zinc/14/35/88/635143588.db2.gz IRMUPONZZVJBKU-NSHDSACASA-N 1 0 207.273 1.579 20 10 BDCDRO CC(C)(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258949137 635228452 /nfs/dbraw/zinc/22/84/52/635228452.db2.gz WXASCEYQGBKWND-UHFFFAOYSA-N 1 0 235.327 1.872 20 10 BDCDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc(N)cc1 ZINC000237396753 636761070 /nfs/dbraw/zinc/76/10/70/636761070.db2.gz QYYKDHPTONFRNY-ZWNOBZJWSA-N 1 0 247.342 1.150 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@]2(C)CCNC2=O)cc1C ZINC000897873182 636841994 /nfs/dbraw/zinc/84/19/94/636841994.db2.gz XWSJHEMTLLNZCN-AWEZNQCLSA-N 1 0 248.326 1.377 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035134262 636855114 /nfs/dbraw/zinc/85/51/14/636855114.db2.gz HOGDKJPXXKWUCV-NSHDSACASA-N 1 0 249.358 1.367 20 10 BDCDRO CON1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000323122723 636901268 /nfs/dbraw/zinc/90/12/68/636901268.db2.gz LZBHQNGBUWTWCE-UHFFFAOYSA-N 1 0 236.315 1.508 20 10 BDCDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)Cc1ccc(N)cc1 ZINC000237498440 637007283 /nfs/dbraw/zinc/00/72/83/637007283.db2.gz QYYKDHPTONFRNY-GWCFXTLKSA-N 1 0 247.342 1.150 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CCCON)cc1C ZINC000904457365 637418718 /nfs/dbraw/zinc/41/87/18/637418718.db2.gz QDIWWZLCKBSXBL-UHFFFAOYSA-N 1 0 224.304 1.379 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2cc(C)ccc2O)C1 ZINC000150064278 639299053 /nfs/dbraw/zinc/29/90/53/639299053.db2.gz BLGCXZKVTNYQKF-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000911661902 639695241 /nfs/dbraw/zinc/69/52/41/639695241.db2.gz ZLSZKVGZXIYDKE-QJPTWQEYSA-N 1 0 231.299 1.348 20 10 BDCDRO CC(C)(C[NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000911781843 639798655 /nfs/dbraw/zinc/79/86/55/639798655.db2.gz CCZDSPALOSUEFF-UHFFFAOYSA-N 1 0 249.358 1.303 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[C@@H](C)O)c1 ZINC000164503942 640489939 /nfs/dbraw/zinc/48/99/39/640489939.db2.gz CPTHIUNDRQPSNZ-WDEREUQCSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CC[C@@H](C)O)cc1C ZINC000164578726 640491563 /nfs/dbraw/zinc/49/15/63/640491563.db2.gz NSBQZVDXPBSWGA-LLVKDONJSA-N 1 0 223.316 1.870 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCO2)c(O)c1 ZINC000083351375 640681974 /nfs/dbraw/zinc/68/19/74/640681974.db2.gz VWPMPZYUZZIETO-LBPRGKRZSA-N 1 0 221.300 1.969 20 10 BDCDRO OCC1([NH2+]Cc2cc(F)ccc2O)CCCC1 ZINC000226620213 640780175 /nfs/dbraw/zinc/78/01/75/640780175.db2.gz SGPOIJBNDLAFFU-UHFFFAOYSA-N 1 0 239.290 1.926 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCC[C@H](C)O)c1 ZINC000228090749 640860068 /nfs/dbraw/zinc/86/00/68/640860068.db2.gz BDHDCAUFMNLPMM-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO O=C(CC1CC[NH2+]CC1)NCc1ccccc1O ZINC000228422842 640873519 /nfs/dbraw/zinc/87/35/19/640873519.db2.gz KYFXPOMSFGSVGL-UHFFFAOYSA-N 1 0 248.326 1.398 20 10 BDCDRO O=C(CC[C@H]1CC[NH2+]C1)NCc1ccccc1O ZINC000228423936 640873974 /nfs/dbraw/zinc/87/39/74/640873974.db2.gz JJSWCVSTFAUQFV-NSHDSACASA-N 1 0 248.326 1.398 20 10 BDCDRO COc1ccc(C[NH2+]C2CC(OC)C2)c(O)c1 ZINC000230688891 641086881 /nfs/dbraw/zinc/08/68/81/641086881.db2.gz CTVLNVQTLOYIPG-UHFFFAOYSA-N 1 0 237.299 1.668 20 10 BDCDRO COc1cccc(CN2CC[NH2+][C@H](C)C2)c1O ZINC000088058706 641306009 /nfs/dbraw/zinc/30/60/09/641306009.db2.gz JLXBUIILBKZTGQ-SNVBAGLBSA-N 1 0 236.315 1.195 20 10 BDCDRO CSCC[NH2+]Cc1cc(F)ccc1O ZINC000226582633 641600451 /nfs/dbraw/zinc/60/04/51/641600451.db2.gz SSLKTNYTTDTHDT-UHFFFAOYSA-N 1 0 215.293 1.984 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1O ZINC000190067260 641832293 /nfs/dbraw/zinc/83/22/93/641832293.db2.gz GNGPUJGEVDVCBG-SKDRFNHKSA-N 1 0 239.290 1.734 20 10 BDCDRO C[N@@H+](Cc1cc(F)ccc1O)CC1CC(O)C1 ZINC000191164283 641904531 /nfs/dbraw/zinc/90/45/31/641904531.db2.gz FHTSAFFATJAPKS-UHFFFAOYSA-N 1 0 239.290 1.734 20 10 BDCDRO CC[NH+]1CCN(c2ccc(OC)cc2)CC1 ZINC000070948096 643086939 /nfs/dbraw/zinc/08/69/39/643086939.db2.gz RPPGCNGCGZNPPL-UHFFFAOYSA-N 1 0 220.316 1.837 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCN(C)C2)c1 ZINC000070955326 643087373 /nfs/dbraw/zinc/08/73/73/643087373.db2.gz SAZLFWCJCKWSAB-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO Cc1ccc(O)c(CN2CC[C@@H]([NH3+])C2)c1 ZINC000070955782 643087471 /nfs/dbraw/zinc/08/74/71/643087471.db2.gz BYUBOSAJIOSZQM-LLVKDONJSA-N 1 0 206.289 1.234 20 10 BDCDRO COc1ccc(C[NH2+]Cc2nccn2C)c(O)c1 ZINC000071140806 643102842 /nfs/dbraw/zinc/10/28/42/643102842.db2.gz WTZNCMJTKRFNPC-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2COCCO2)c1 ZINC000071408219 643143042 /nfs/dbraw/zinc/14/30/42/643143042.db2.gz SQLZITMIRKRLON-LBPRGKRZSA-N 1 0 237.299 1.206 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000083347410 643437831 /nfs/dbraw/zinc/43/78/31/643437831.db2.gz NITISNNUIRCJJV-QMMMGPOBSA-N 1 0 213.252 1.656 20 10 BDCDRO CCOC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000044688773 643547747 /nfs/dbraw/zinc/54/77/47/643547747.db2.gz LVWQLACUQYMQKX-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO OC/C=C\C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922240085 643916201 /nfs/dbraw/zinc/91/62/01/643916201.db2.gz MWUMQXOCOCAZMR-UPHRSURJSA-N 1 0 233.311 1.650 20 10 BDCDRO Cc1cc(CC[NH2+]Cc2ccccc2O)nn1C ZINC000922689252 644068523 /nfs/dbraw/zinc/06/85/23/644068523.db2.gz CUQRUUMAHCHYSD-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c(O)c1 ZINC000079926271 644216853 /nfs/dbraw/zinc/21/68/53/644216853.db2.gz DTOOHDBWWZTLGN-QWRGUYRKSA-N 1 0 248.326 1.630 20 10 BDCDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000923004385 644227370 /nfs/dbraw/zinc/22/73/70/644227370.db2.gz BXFQLLIEGCFIOR-MQMHXKEQSA-N 1 0 247.338 1.872 20 10 BDCDRO C[C@@H]1CN(Cc2ccccc2O)[C@@H](C)C[NH2+]1 ZINC000083117996 644400997 /nfs/dbraw/zinc/40/09/97/644400997.db2.gz QNEFQDUMHVTGAF-MNOVXSKESA-N 1 0 220.316 1.574 20 10 BDCDRO COc1ccc2c(c1)CCN2CCC[NH3+] ZINC000084772152 644433098 /nfs/dbraw/zinc/43/30/98/644433098.db2.gz UXGHYKGZSHINHY-UHFFFAOYSA-N 1 0 206.289 1.407 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H](C)C[C@@H](C)O ZINC000782977467 644748908 /nfs/dbraw/zinc/74/89/08/644748908.db2.gz FXFSVXNQGGFYMZ-VHSXEESVSA-N 1 0 239.315 1.650 20 10 BDCDRO [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000818431507 644996699 /nfs/dbraw/zinc/99/66/99/644996699.db2.gz OUINTLFLLVMSDX-VXGBXAGGSA-N 1 0 238.306 1.891 20 10 BDCDRO CCc1cccc(C[N@H+](C)CC2CN(C)C2)c1O ZINC000827125627 645074025 /nfs/dbraw/zinc/07/40/25/645074025.db2.gz MZUXQRYKALBJGE-UHFFFAOYSA-N 1 0 248.370 1.948 20 10 BDCDRO OC[C@H](CCF)[NH2+]Cc1cc(Cl)ccc1O ZINC000846097263 645404734 /nfs/dbraw/zinc/40/47/34/645404734.db2.gz PACUQUPJQJIXLJ-JTQLQIEISA-N 1 0 247.697 1.856 20 10 BDCDRO C[C@H]([NH2+]CC[C@@H]1CNC(=O)C1)c1ccccc1O ZINC000926984190 645506891 /nfs/dbraw/zinc/50/68/91/645506891.db2.gz DULLJUICYDUKEE-QWRGUYRKSA-N 1 0 248.326 1.569 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CNOC2)c(O)c1C ZINC000925868573 646519917 /nfs/dbraw/zinc/51/99/17/646519917.db2.gz DCHJCSIXERGAJR-QWRGUYRKSA-N 1 0 236.315 1.563 20 10 BDCDRO COCC(COC)[NH2+]Cc1cc(F)ccc1O ZINC000388483043 711884247 /nfs/dbraw/zinc/88/42/47/711884247.db2.gz WMYFBLCCZUWNFA-UHFFFAOYSA-N 1 0 243.278 1.282 20 10 BDCDRO C[C@@H]([NH2+]CC1(CO)COC1)c1ccccc1O ZINC000717647174 712663393 /nfs/dbraw/zinc/66/33/93/712663393.db2.gz DGZIAWUUSODKAQ-SNVBAGLBSA-N 1 0 237.299 1.052 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]CC1(O)CCC1)CC2 ZINC000383723277 710883102 /nfs/dbraw/zinc/88/31/02/710883102.db2.gz YTVJJMFAIBYCKJ-LLVKDONJSA-N 1 0 233.311 1.884 20 10 BDCDRO COC[C@@](C)(O)C[NH2+]Cc1cc(C)ccc1O ZINC000382544047 710972418 /nfs/dbraw/zinc/97/24/18/710972418.db2.gz FILAZPZEULETSS-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO COC[C@@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000382548961 710973635 /nfs/dbraw/zinc/97/36/35/710973635.db2.gz GWHJOWAVEJKDJA-GWCFXTLKSA-N 1 0 239.315 1.440 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000393975590 711180162 /nfs/dbraw/zinc/18/01/62/711180162.db2.gz PHTNOXFNTQVXAW-VIFPVBQESA-N 1 0 239.315 1.650 20 10 BDCDRO Cc1cccc(C[NH2+]Cc2cnn[nH]2)c1O ZINC000398302746 711406296 /nfs/dbraw/zinc/40/62/96/711406296.db2.gz NKCKIXIHQGTRFK-UHFFFAOYSA-N 1 0 218.260 1.109 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCNC(=O)CC1)c1ccccc1O ZINC000396670724 711364366 /nfs/dbraw/zinc/36/43/66/711364366.db2.gz YNNYPGLOUXRISB-QWRGUYRKSA-N 1 0 248.326 1.712 20 10 BDCDRO C[N@H+](CCC(N)=O)Cc1cc(Cl)ccc1O ZINC000382223900 711615454 /nfs/dbraw/zinc/61/54/54/711615454.db2.gz WQUYTRQHIJXFEP-UHFFFAOYSA-N 1 0 242.706 1.353 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000161364297 711811336 /nfs/dbraw/zinc/81/13/36/711811336.db2.gz PUUJPRYFYWJEQB-QWRGUYRKSA-N 1 0 249.358 1.667 20 10 BDCDRO COCC[N@H+](C)Cc1cc(F)cc(F)c1[O-] ZINC000708401495 711957135 /nfs/dbraw/zinc/95/71/35/711957135.db2.gz UGDCDEMMGAGRAE-UHFFFAOYSA-N 1 0 231.242 1.749 20 10 BDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000707980633 712174750 /nfs/dbraw/zinc/17/47/50/712174750.db2.gz SMQKFBYBLLUNOH-NSHDSACASA-N 1 0 249.358 1.367 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2CCN(C)C2)c1O ZINC000709435743 712222103 /nfs/dbraw/zinc/22/21/03/712222103.db2.gz NUXFLEKBYQXHJY-ZDUSSCGKSA-N 1 0 234.343 1.748 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000378731504 712359590 /nfs/dbraw/zinc/35/95/90/712359590.db2.gz LDPTXKMFSKMGMB-IRUJWGPZSA-N 1 0 221.300 1.875 20 10 BDCDRO CCN1CC[C@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000712619633 712438855 /nfs/dbraw/zinc/43/88/55/712438855.db2.gz YOYVYJNQEJXYQG-AWEZNQCLSA-N 1 0 246.354 1.805 20 10 BDCDRO C[C@@H]([NH2+]Cc1cn[nH]c1)c1ccccc1O ZINC000038005877 712798898 /nfs/dbraw/zinc/79/88/98/712798898.db2.gz UJTFVCYXRNMADA-SECBINFHSA-N 1 0 217.272 1.966 20 10 BDCDRO C[C@@H]1[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CCN1C ZINC000719646953 712820152 /nfs/dbraw/zinc/82/01/52/712820152.db2.gz MJMIKYMRJPZPBS-RISCZKNCSA-N 1 0 246.354 1.804 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000720939690 712880580 /nfs/dbraw/zinc/88/05/80/712880580.db2.gz JZQBQFWSQSDCTH-MQMHXKEQSA-N 1 0 234.343 1.613 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720962872 712883343 /nfs/dbraw/zinc/88/33/43/712883343.db2.gz NARDPSAOOKWXQY-DTORHVGOSA-N 1 0 241.718 1.906 20 10 BDCDRO COCc1cc(OC)ccc1N1CC[C@@H]([NH3+])C1 ZINC001164287081 965832383 /nfs/dbraw/zinc/83/23/83/965832383.db2.gz BFMQFAJIGZTXDT-LLVKDONJSA-N 1 0 236.315 1.379 20 10 BDCDRO C[C@]1(O)CC[N@H+](Cc2cc(F)cc(F)c2[O-])C1 ZINC001334350300 976461522 /nfs/dbraw/zinc/46/15/22/976461522.db2.gz RWHBKUYTKYUIOY-LBPRGKRZSA-N 1 0 243.253 1.627 20 10 BDCDRO Cc1cc(F)cc(CN2CC[C@@H]([NH3+])C2)c1O ZINC001236174399 979435344 /nfs/dbraw/zinc/43/53/44/979435344.db2.gz PTBLMFXBMQPLDC-LLVKDONJSA-N 1 0 224.279 1.373 20 10 BDCDRO [NH3+][C@H]1CN(Cc2ccccc2O)CC(F)(F)C1 ZINC001206117951 972777580 /nfs/dbraw/zinc/77/75/80/972777580.db2.gz ZXKYJKSBOLUFLO-SNVBAGLBSA-N 1 0 242.269 1.561 20 10 BDCDRO Cc1cccc(C[NH2+]CCN2CCCC2=O)c1O ZINC000405397111 971248477 /nfs/dbraw/zinc/24/84/77/971248477.db2.gz JVKIVPYAJYVWBV-UHFFFAOYSA-N 1 0 248.326 1.413 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2c(O)cccc2Cl)C1 ZINC000405851714 971316780 /nfs/dbraw/zinc/31/67/80/971316780.db2.gz YFVUUPGMMRQDER-LBPRGKRZSA-N 1 0 240.734 1.969 20 10 BDCDRO Nc1ccc(CO[C@@H]2C[NH2+]CCC[C@H]2F)cc1 ZINC001217773423 971398322 /nfs/dbraw/zinc/39/83/22/971398322.db2.gz PGRRPTPJCPDHEF-CHWSQXEVSA-N 1 0 238.306 1.876 20 10 BDCDRO CCN1CCc2cc(O[C@H]3C[NH2+][C@H]3C)ccc21 ZINC001218393531 971773838 /nfs/dbraw/zinc/77/38/38/971773838.db2.gz VBTTWAPJYUJRJR-HZMBPMFUSA-N 1 0 232.327 1.808 20 10 BDCDRO Cc1cc(C)c(CNC(=O)C2([NH3+])CC2)c(O)c1 ZINC001220825456 972263120 /nfs/dbraw/zinc/26/31/20/972263120.db2.gz IFFYSOIISYRGKJ-UHFFFAOYSA-N 1 0 234.299 1.117 20 10 BDCDRO Cn1c[nH+]cc1Nc1cccc(O)c1O ZINC001211250208 958114046 /nfs/dbraw/zinc/11/40/46/958114046.db2.gz ISOGEVTXFVKGIH-UHFFFAOYSA-N 1 0 205.217 1.575 20 10 BDCDRO CCN1CCc2cc(O[C@H]3C[NH2+][C@@H]3C)ccc21 ZINC001218393537 960049110 /nfs/dbraw/zinc/04/91/10/960049110.db2.gz VBTTWAPJYUJRJR-YGRLFVJLSA-N 1 0 232.327 1.808 20 10 BDCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(O)c(O)c2)CO1 ZINC000396598126 960380654 /nfs/dbraw/zinc/38/06/54/960380654.db2.gz OZBNSOKQQAUJJE-JTQLQIEISA-N 1 0 237.299 1.755 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000695753394 960424471 /nfs/dbraw/zinc/42/44/71/960424471.db2.gz JSQMRHIFWNNUJP-LBPRGKRZSA-N 1 0 246.310 1.398 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c1 ZINC001140617504 960461228 /nfs/dbraw/zinc/46/12/28/960461228.db2.gz RUXSVCZKMHJNIZ-AAEUAGOBSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CC3(CN(C)C3)C2)c1 ZINC001140624136 960466699 /nfs/dbraw/zinc/46/66/99/960466699.db2.gz HOPWBJPITVIFKO-UHFFFAOYSA-N 1 0 232.327 1.448 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC(C3COC3)C2)c1O ZINC001140742704 960546274 /nfs/dbraw/zinc/54/62/74/960546274.db2.gz WBRWGYGAGPYIDZ-UHFFFAOYSA-N 1 0 249.310 1.484 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140750981 960554568 /nfs/dbraw/zinc/55/45/68/960554568.db2.gz FSFPOKNLQWGYSK-NSHDSACASA-N 1 0 237.299 1.627 20 10 BDCDRO CN(Cc1cc(O)ccc1O)[C@@H]1CC[N@H+](C)C1 ZINC001141159241 960896949 /nfs/dbraw/zinc/89/69/49/960896949.db2.gz DJOVIDSPMSNYCU-LLVKDONJSA-N 1 0 236.315 1.234 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@H](O)C1CC1 ZINC000840947872 961233990 /nfs/dbraw/zinc/23/39/90/961233990.db2.gz ASYLQSQNCRXXFX-HNNXBMFYSA-N 1 0 248.370 1.922 20 10 BDCDRO Oc1cccc(C[NH2+][C@H]2C[C@H]3C[C@H]3C2)c1O ZINC001167911017 961817089 /nfs/dbraw/zinc/81/70/89/961817089.db2.gz ZEKBJIKFOOIGPQ-URLYPYJESA-N 1 0 219.284 1.986 20 10 BDCDRO C[C@]1([NH3+])CCN(Cc2cccc(F)c2O)C1 ZINC001204772096 963414384 /nfs/dbraw/zinc/41/43/84/963414384.db2.gz UFTVDHJZLBJFFJ-LBPRGKRZSA-N 1 0 224.279 1.454 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2cc(F)c(F)cc2O)C1 ZINC001204783568 963547325 /nfs/dbraw/zinc/54/73/25/963547325.db2.gz UDBDRDWJIPQAJH-GFCCVEGCSA-N 1 0 242.269 1.594 20 10 BDCDRO Nc1ccc(Nc2cc[nH+]c(N)c2)cc1 ZINC001159113199 964003851 /nfs/dbraw/zinc/00/38/51/964003851.db2.gz DZMNUUPAZDSPBK-UHFFFAOYSA-N 1 0 200.245 1.990 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc3c(c2)[C@@H](O)CCO3)C1 ZINC001164281811 965826287 /nfs/dbraw/zinc/82/62/87/965826287.db2.gz NRPMREMDDFIJCW-CABZTGNLSA-N 1 0 234.299 1.040 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc([C@@H]3CCC(=O)N3)cc2)C1 ZINC001164287970 965831764 /nfs/dbraw/zinc/83/17/64/965831764.db2.gz LCJHYCFVMXEZKQ-AAEUAGOBSA-N 1 0 245.326 1.175 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2COC[C@H]2C)c1 ZINC000699482842 965909374 /nfs/dbraw/zinc/90/93/74/965909374.db2.gz ZXPHGQAODWQMES-PWSUYJOCSA-N 1 0 221.300 1.825 20 10 BDCDRO C[C@@H]1COC[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000699745852 966062316 /nfs/dbraw/zinc/06/23/16/966062316.db2.gz UQIKLMXBKNDMST-LDYMZIIASA-N 1 0 225.263 1.656 20 10 BDCDRO CCc1cccc(C[NH2+]Cc2ccnn2C)c1O ZINC000691445152 966154386 /nfs/dbraw/zinc/15/43/86/966154386.db2.gz LJBTYJVSBCTTKX-UHFFFAOYSA-N 1 0 245.326 1.978 20 10 BDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cccc(F)c1O)C2 ZINC001236016407 966229762 /nfs/dbraw/zinc/22/97/62/966229762.db2.gz CCCQQTFAMMNMSI-CABZTGNLSA-N 1 0 222.263 1.064 20 10 BDCDRO COc1cc(N(C)C)ccc1CN1CC[C@H]([NH3+])C1 ZINC001236172317 966287514 /nfs/dbraw/zinc/28/75/14/966287514.db2.gz GYCQYULFSFTALP-LBPRGKRZSA-N 1 0 249.358 1.294 20 10 BDCDRO Oc1ccc(Cl)cc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236281904 966328127 /nfs/dbraw/zinc/32/81/27/966328127.db2.gz CCKPTLFBOOBPMJ-ONGXEEELSA-N 1 0 238.718 1.449 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)C[C@@]1(C)O ZINC001203550087 966679819 /nfs/dbraw/zinc/67/98/19/966679819.db2.gz HFOCLSFMOCGTNS-BXUZGUMPSA-N 1 0 235.327 1.985 20 10 BDCDRO COc1cccc(C[N@@H+]2CCCC23COC3)c1O ZINC001203595972 966700590 /nfs/dbraw/zinc/70/05/90/966700590.db2.gz VSJRHSCWOKCKLM-UHFFFAOYSA-N 1 0 249.310 1.766 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@@]23CCOC3)c1O ZINC001203601777 966701701 /nfs/dbraw/zinc/70/17/01/966701701.db2.gz KWASPQVBCFPABN-AWEZNQCLSA-N 1 0 249.310 1.766 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001203599579 966702719 /nfs/dbraw/zinc/70/27/19/966702719.db2.gz IXGRBFNKFCPSDJ-RYUDHWBXSA-N 1 0 248.326 1.289 20 10 BDCDRO COc1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC001203621013 966711300 /nfs/dbraw/zinc/71/13/00/966711300.db2.gz NNDJWKPYORAXGO-UHFFFAOYSA-N 1 0 237.299 1.215 20 10 BDCDRO C[NH+](C)[C@H]1CCN(Cc2ccc(O)c(O)c2)C1 ZINC001203873581 966803364 /nfs/dbraw/zinc/80/33/64/966803364.db2.gz GXYANKALUGURPI-NSHDSACASA-N 1 0 236.315 1.234 20 10 BDCDRO Oc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC001203879648 966806514 /nfs/dbraw/zinc/80/65/14/966806514.db2.gz WIRQEKRNVSVDMK-LBPRGKRZSA-N 1 0 248.326 1.378 20 10 BDCDRO C[C@@]1(O)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875581 966806993 /nfs/dbraw/zinc/80/69/93/966806993.db2.gz QSIBKRDAWNWELC-GFCCVEGCSA-N 1 0 223.272 1.055 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@H]1O ZINC001204276097 966951375 /nfs/dbraw/zinc/95/13/75/966951375.db2.gz GLLFPMKIAKDNBR-JOYOIKCWSA-N 1 0 237.299 1.301 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)C[C@@H]1F ZINC001204276249 966954786 /nfs/dbraw/zinc/95/47/86/966954786.db2.gz IFVUILNYEOLYTQ-KCJUWKMLSA-N 1 0 225.263 1.888 20 10 BDCDRO C[C@@]1(O)CCC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204278670 966961192 /nfs/dbraw/zinc/96/11/92/966961192.db2.gz HSIVIAIYTKDBTD-CYBMUJFWSA-N 1 0 237.299 1.445 20 10 BDCDRO Cn1cc2c(n1)CC[N@@H+](Cc1ccccc1O)C2 ZINC001203556068 966971153 /nfs/dbraw/zinc/97/11/53/966971153.db2.gz JDHMQCAIFXQMOI-UHFFFAOYSA-N 1 0 243.310 1.684 20 10 BDCDRO COc1cc(C[N@H+](C)C(C)C)cc(O)c1O ZINC001204340425 966977839 /nfs/dbraw/zinc/97/78/39/966977839.db2.gz QOBHISKROXIACL-UHFFFAOYSA-N 1 0 225.288 1.947 20 10 BDCDRO Cc1cc(C)c(CN2CCC[NH2+]CC2)c(O)c1 ZINC001204675806 967133066 /nfs/dbraw/zinc/13/30/66/967133066.db2.gz YHUJTQOXODTERJ-UHFFFAOYSA-N 1 0 234.343 1.804 20 10 BDCDRO C[C@H]1C[N@H+](Cc2c([O-])cccc2F)C[C@H]1C[NH3+] ZINC001205135951 967382004 /nfs/dbraw/zinc/38/20/04/967382004.db2.gz JFGFRRVBXMWWGB-VHSXEESVSA-N 1 0 238.306 1.558 20 10 BDCDRO Cc1c(O)ccc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC001205183202 967416886 /nfs/dbraw/zinc/41/68/86/967416886.db2.gz XJEARJMTHWAZJL-MWLCHTKSSA-N 1 0 236.315 1.328 20 10 BDCDRO Oc1cc2c(cc1C[NH2+][C@H]1C=CCC1)OCO2 ZINC000698326598 968327480 /nfs/dbraw/zinc/32/74/80/968327480.db2.gz KKVHZVWXYVFLGV-JTQLQIEISA-N 1 0 233.267 1.929 20 10 BDCDRO CCC[C@@H](O)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001252789114 968967530 /nfs/dbraw/zinc/96/75/30/968967530.db2.gz MSCAFUWUCUFEQF-GFCCVEGCSA-N 1 0 235.327 1.911 20 10 BDCDRO C[C@@H]([NH2+]CCCC[NH3+])c1ccc(F)cc1[O-] ZINC000062747665 969841834 /nfs/dbraw/zinc/84/18/34/969841834.db2.gz YGKWSIMZICHLIR-SECBINFHSA-N 1 0 226.295 1.921 20 10 BDCDRO COc1ccc(Nc2cc[nH+]cc2OC)c(O)c1 ZINC001211263390 970212212 /nfs/dbraw/zinc/21/22/12/970212212.db2.gz OHRWLVPIUSTACD-UHFFFAOYSA-N 1 0 246.266 1.970 20 10 BDCDRO COC[C@@H](C)[NH2+]CCc1ccc(O)c(O)c1 ZINC001255558728 970340630 /nfs/dbraw/zinc/34/06/30/970340630.db2.gz UCCVGDINWVXSAI-SECBINFHSA-N 1 0 225.288 1.265 20 10 BDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000402024787 970759780 /nfs/dbraw/zinc/75/97/80/970759780.db2.gz GLZAACGWZVRGPM-GWCFXTLKSA-N 1 0 233.311 1.889 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CO1 ZINC000402024790 970760343 /nfs/dbraw/zinc/76/03/43/970760343.db2.gz GLZAACGWZVRGPM-MFKMUULPSA-N 1 0 233.311 1.889 20 10 BDCDRO C[C@@H]1CCC[N@@H+]1Cc1c(O)cc(O)cc1O ZINC001144499425 972847283 /nfs/dbraw/zinc/84/72/83/972847283.db2.gz GJCPDJIZOWDQCQ-MRVPVSSYSA-N 1 0 223.272 1.788 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503766 972852036 /nfs/dbraw/zinc/85/20/36/972852036.db2.gz CGBNIWNGOIUPFW-MRVPVSSYSA-N 1 0 223.272 1.645 20 10 BDCDRO COC[C@@H](CO)[NH2+]Cc1c(O)cccc1Cl ZINC000234866041 973779679 /nfs/dbraw/zinc/77/96/79/973779679.db2.gz RMPGGICXDGBJRI-MRVPVSSYSA-N 1 0 245.706 1.143 20 10 BDCDRO Nc1ccc(CN2C[C@@H]([NH3+])CC(F)(F)C2)cc1 ZINC001206139717 974106042 /nfs/dbraw/zinc/10/60/42/974106042.db2.gz OBULQEPUNALIJG-NSHDSACASA-N 1 0 241.285 1.437 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]([NH3+])CC1CC1)c1ccccc1O ZINC001330875623 974515610 /nfs/dbraw/zinc/51/56/10/974515610.db2.gz HBKNGZQKVSEMIW-SKDRFNHKSA-N 1 0 248.326 1.697 20 10 BDCDRO Nc1ccc(CN[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC001334753527 976618779 /nfs/dbraw/zinc/61/87/79/976618779.db2.gz GOSBFRVFVHOMNM-CYBMUJFWSA-N 1 0 231.343 1.643 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1NCc1ccc(N)cc1 ZINC001334754613 976624271 /nfs/dbraw/zinc/62/42/71/976624271.db2.gz PQTHAUUKGWMFEQ-LBPRGKRZSA-N 1 0 219.332 1.356 20 10 BDCDRO CCC([NH3+])(CC)C[NH2+]Cc1ccc(N)cc1 ZINC001336287266 977619274 /nfs/dbraw/zinc/61/92/74/977619274.db2.gz ZXTSOSFBTPLXHE-UHFFFAOYSA-N 1 0 221.348 1.876 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c(O)c1 ZINC001231843030 977759341 /nfs/dbraw/zinc/75/93/41/977759341.db2.gz SNBMFZUULQBDHE-FZMZJTMJSA-N 1 0 235.327 1.822 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CCC(O)CC2)c(O)c1 ZINC001231842910 977765152 /nfs/dbraw/zinc/76/51/52/977765152.db2.gz YYWQKVVHCSTLGS-UHFFFAOYSA-N 1 0 235.327 1.966 20 10 BDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2c(O)cccc2F)C1 ZINC001206414997 978858202 /nfs/dbraw/zinc/85/82/02/978858202.db2.gz SWTWEFLENPIPQN-IUCAKERBSA-N 1 0 242.269 1.402 20 10 BDCDRO C[C@@H]1C[N@@H+](Cc2ccc(O)cc2O)C[C@H](C)O1 ZINC001204272061 978897688 /nfs/dbraw/zinc/89/76/88/978897688.db2.gz JBPYCJZCPNLTFH-AOOOYVTPSA-N 1 0 237.299 1.707 20 10 BDCDRO Oc1ccc(CN2CC[C@@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235042692 978961174 /nfs/dbraw/zinc/96/11/74/978961174.db2.gz XPAKMUNSUTZYJC-NWDGAFQWSA-N 1 0 234.299 1.034 20 10 BDCDRO Cc1ccc(O)c(CN2CC[C@H]3[NH2+]CC[C@H]32)c1 ZINC001235075084 978969301 /nfs/dbraw/zinc/96/93/01/978969301.db2.gz JLXMZKSQFKINCJ-CHWSQXEVSA-N 1 0 232.327 1.637 20 10 BDCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)cc1 ZINC001235976293 979240183 /nfs/dbraw/zinc/24/01/83/979240183.db2.gz AQUPKDDHTXAGII-HIFRSBDPSA-N 1 0 245.370 1.676 20 10 BDCDRO C[C@@H]1C[C@@H]([NH3+])CN(Cc2ccc(N)cc2)C1 ZINC001236048107 979340847 /nfs/dbraw/zinc/34/08/47/979340847.db2.gz BQJXVEFYTUHEAU-ZWNOBZJWSA-N 1 0 219.332 1.438 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@@H]2CN)c(O)c1 ZINC001236247053 979467525 /nfs/dbraw/zinc/46/75/25/979467525.db2.gz NZDUGUNQPHROOB-GFCCVEGCSA-N 1 0 234.343 1.932 20 10 BDCDRO O=C(NCc1ccccc1O)C1=CCC[NH2+]CC1 ZINC001341812831 979565940 /nfs/dbraw/zinc/56/59/40/979565940.db2.gz HBEHOUFLCVDAAL-UHFFFAOYSA-N 1 0 246.310 1.318 20 10 BDCDRO Nc1ccc(CNC(=O)C23CCC(CC2)[NH2+]3)cc1 ZINC001342022408 979624506 /nfs/dbraw/zinc/62/45/06/979624506.db2.gz OXXCHYHXKALKPL-UHFFFAOYSA-N 1 0 245.326 1.170 20 10 BDCDRO CCc1ccc(C[N@H+](C)CC(C)=O)c(O)c1 ZINC001236783729 979728426 /nfs/dbraw/zinc/72/84/26/979728426.db2.gz OPTRWMWYVWEIAB-UHFFFAOYSA-N 1 0 221.300 1.975 20 10 BDCDRO CCN(CC)c1ccc(CN2CC[NH2+]C2)cc1 ZINC001236844853 979751389 /nfs/dbraw/zinc/75/13/89/979751389.db2.gz WLZJZUFNQHKORG-UHFFFAOYSA-N 1 0 233.359 1.896 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1c(O)cccc1F ZINC001236864602 979767080 /nfs/dbraw/zinc/76/70/80/979767080.db2.gz CKNCZDPYDBPEOP-VIFPVBQESA-N 1 0 226.295 1.700 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1cc(C)ccc1O ZINC001236867865 979770091 /nfs/dbraw/zinc/77/00/91/979770091.db2.gz CRTVOOYPPMJQMN-LBPRGKRZSA-N 1 0 222.332 1.870 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(O)c(O)c1 ZINC001236865245 979773056 /nfs/dbraw/zinc/77/30/56/979773056.db2.gz HCVQNHBPNSAJFM-JTQLQIEISA-N 1 0 224.304 1.267 20 10 BDCDRO Cc1cccc(C[NH2+][C@@]2(C)CCNC2=O)c1O ZINC001343317443 980064400 /nfs/dbraw/zinc/06/44/00/980064400.db2.gz BJLZPIMARQYUNP-ZDUSSCGKSA-N 1 0 234.299 1.069 20 10 BDCDRO CC(C)(C)[C@@H]([NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001343495072 980129602 /nfs/dbraw/zinc/12/96/02/980129602.db2.gz LTEDAHCNOUMHFK-LBPRGKRZSA-N 1 0 249.358 1.649 20 10 BDCDRO Cc1cc(F)cc(C[N@H+]2C[C@H](C)[C@H](O)C2)c1O ZINC001238056220 980132548 /nfs/dbraw/zinc/13/25/48/980132548.db2.gz FUIHDSZXVKRFTE-JOYOIKCWSA-N 1 0 239.290 1.652 20 10 BDCDRO C[C@]1(C(=O)NCc2ccc(N)cc2)CCC[NH2+]1 ZINC001343578642 980155309 /nfs/dbraw/zinc/15/53/09/980155309.db2.gz VCZYNUUHQVYYBU-CYBMUJFWSA-N 1 0 233.315 1.027 20 10 BDCDRO C1=C(c2ccc(N3CC[NH2+]CC3)cc2)COC1 ZINC001239486440 980637221 /nfs/dbraw/zinc/63/72/21/980637221.db2.gz MDXBDPKBGGWXFR-UHFFFAOYSA-N 1 0 230.311 1.510 20 10 BDCDRO Cn1ccc2c1ccnc2C1=CCC[NH2+]C1 ZINC001240649999 981554763 /nfs/dbraw/zinc/55/47/63/981554763.db2.gz BGMUQZBSBVAXRO-UHFFFAOYSA-N 1 0 213.284 1.950 20 10 BDCDRO C[C@@H]1CCN(Cc2cc(O)ccc2O)C[C@@H]1[NH3+] ZINC001205871968 983013896 /nfs/dbraw/zinc/01/38/96/983013896.db2.gz AMDCXKVXUUGKJB-SKDRFNHKSA-N 1 0 236.315 1.267 20 10 BDCDRO CN(C(=O)C12CCC(CC1)[NH2+]2)c1ccc(N)cc1 ZINC001354437750 983306782 /nfs/dbraw/zinc/30/67/82/983306782.db2.gz TUUIADNKYMHZHX-UHFFFAOYSA-N 1 0 245.326 1.516 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C/C=C\CO)c1 ZINC000717525084 984211643 /nfs/dbraw/zinc/21/16/43/984211643.db2.gz JGZVKHGYIZTHMH-IHWYPQMZSA-N 1 0 207.273 1.339 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C/C=C/CO)c1 ZINC000717525088 984212195 /nfs/dbraw/zinc/21/21/95/984212195.db2.gz JGZVKHGYIZTHMH-NSCUHMNNSA-N 1 0 207.273 1.339 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@H]3[C@@H]2CCN3C)c1 ZINC001275311591 984534752 /nfs/dbraw/zinc/53/47/52/984534752.db2.gz FTAYSNPYNXQUDN-KBPBESRZSA-N 1 0 246.354 1.979 20 10 BDCDRO C[C@@H]1[C@H](NC(=O)Cc2ccc(N)cc2)CC[N@@H+]1C ZINC000719395505 984653475 /nfs/dbraw/zinc/65/34/75/984653475.db2.gz KHRXGWGWYQJBFU-ZWNOBZJWSA-N 1 0 247.342 1.020 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1ccc(Cl)cc1O ZINC001578638746 985246530 /nfs/dbraw/zinc/24/65/30/985246530.db2.gz TWKMMJODPVMYKD-MRVPVSSYSA-N 1 0 228.723 1.743 20 10 BDCDRO COc1cc(C)c(C[NH2+][C@H]2CCOC2)c(O)c1 ZINC001462661426 986485970 /nfs/dbraw/zinc/48/59/70/986485970.db2.gz DFOMHOZOMMWBLV-JTQLQIEISA-N 1 0 237.299 1.588 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NC ZINC000697934834 987369946 /nfs/dbraw/zinc/36/99/46/987369946.db2.gz GDQWIRRTSBZAJC-SNVBAGLBSA-N 1 0 240.278 1.146 20 10 BDCDRO C[C@H]1C[C@H](NCc2ccc(O)c(O)c2)CC[NH2+]1 ZINC001246277515 987673320 /nfs/dbraw/zinc/67/33/20/987673320.db2.gz IFKCJOSMKCYPBX-GXSJLCMTSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@@H]1CC[C@@H]([NH2+]CCc2ccc(N)cc2)CN1 ZINC001246466933 987826650 /nfs/dbraw/zinc/82/66/50/987826650.db2.gz QVDMIOZEXSRKDE-BXUZGUMPSA-N 1 0 233.359 1.541 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001122535812 990409169 /nfs/dbraw/zinc/40/91/69/990409169.db2.gz IIEQYOQRWWPYLP-OLZOCXBDSA-N 1 0 247.342 1.273 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1cc(F)ccc1O ZINC001140060112 991510631 /nfs/dbraw/zinc/51/06/31/991510631.db2.gz LGLVTYZUOCWKDG-UHFFFAOYSA-N 1 0 241.262 1.526 20 10 BDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140058395 991511813 /nfs/dbraw/zinc/51/18/13/991511813.db2.gz YFJGTEXSULGFDU-CABZTGNLSA-N 1 0 239.290 1.734 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCNC(=O)CC2)c1O ZINC001140179563 991548717 /nfs/dbraw/zinc/54/87/17/991548717.db2.gz FNVQRVDHPBMLLZ-UHFFFAOYSA-N 1 0 248.326 1.331 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCN3CC[C@H]3C2)c1O ZINC001140184908 991557843 /nfs/dbraw/zinc/55/78/43/991557843.db2.gz KOCHPVZSXGKMPL-ZDUSSCGKSA-N 1 0 246.354 1.899 20 10 BDCDRO OCC1C[NH+](Cc2c(O)cccc2Cl)C1 ZINC001140344381 991614241 /nfs/dbraw/zinc/61/42/41/991614241.db2.gz JAXMOMWCKFYQJZ-UHFFFAOYSA-N 1 0 227.691 1.470 20 10 BDCDRO Oc1ccc(C[NH2+][C@@H]2CCCOCC2)c(O)c1 ZINC000393873909 994017380 /nfs/dbraw/zinc/01/73/80/994017380.db2.gz DVLVONKBSHXHHC-LLVKDONJSA-N 1 0 237.299 1.757 20 10 BDCDRO C[N@@H+]1CC[C@@H]2CN(Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285798 995002528 /nfs/dbraw/zinc/00/25/28/995002528.db2.gz MOFDQYJMZQUGHS-UKRRQHHQSA-N 1 0 245.370 1.795 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1O ZINC000195006923 136221391 /nfs/dbraw/zinc/22/13/91/136221391.db2.gz CNFIXMGENJSMPG-SKDRFNHKSA-N 1 0 248.326 1.315 20 10 BDCDRO C[C@H]([NH2+]CC(C)(C)C(N)=O)c1ccccc1O ZINC000183638053 398250016 /nfs/dbraw/zinc/25/00/16/398250016.db2.gz HXQBAWDFYXWNAS-VIFPVBQESA-N 1 0 236.315 1.554 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]CCN(C)C)c(O)c1 ZINC000020083636 342968452 /nfs/dbraw/zinc/96/84/52/342968452.db2.gz QHSHPJAWVRHAMP-NSHDSACASA-N 1 0 222.332 1.913 20 10 BDCDRO C[C@H](CN1CCCC1=O)[NH2+]Cc1ccccc1O ZINC000037782334 343355268 /nfs/dbraw/zinc/35/52/68/343355268.db2.gz ZXBFRHASXCVETB-LLVKDONJSA-N 1 0 248.326 1.493 20 10 BDCDRO C[C@H](C[NH2+]Cc1ccc(N(C)C)cc1)N(C)C ZINC000038088907 343370188 /nfs/dbraw/zinc/37/01/88/343370188.db2.gz AEXYQKYPVKDSBY-GFCCVEGCSA-N 1 0 235.375 1.792 20 10 BDCDRO C[C@@H](Cn1ccnc1)[NH2+]Cc1ccccc1O ZINC000037157232 343337467 /nfs/dbraw/zinc/33/74/67/343337467.db2.gz HBINXFCYFXHCDT-NSHDSACASA-N 1 0 231.299 1.767 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCOC2)c1O ZINC000162818034 179071501 /nfs/dbraw/zinc/07/15/01/179071501.db2.gz LPYVVNJJZMJZHZ-LBPRGKRZSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1O ZINC000183374432 179073492 /nfs/dbraw/zinc/07/34/92/179073492.db2.gz BBTFGSMVRPAYQQ-GFCCVEGCSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@H](C)[C@@H]2CO)c1O ZINC000191181084 179081729 /nfs/dbraw/zinc/08/17/29/179081729.db2.gz NWQFSAFSAFKIFK-GWCFXTLKSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[NH2+]CCC[C@@H](C)O)c1O ZINC000228090910 179089498 /nfs/dbraw/zinc/08/94/98/179089498.db2.gz RTQSIZVSWHYOMB-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC[C@H](C)O)c1 ZINC000078780379 187793105 /nfs/dbraw/zinc/79/31/05/187793105.db2.gz PAIFFKDBCXKHLW-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO CO[C@@H](C)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000191208351 353448560 /nfs/dbraw/zinc/44/85/60/353448560.db2.gz PYIHIPXTZDBWOK-QMMMGPOBSA-N 1 0 239.271 1.245 20 10 BDCDRO NC(=O)C[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000368132271 181245975 /nfs/dbraw/zinc/24/59/75/181245975.db2.gz FHXWATJLWSGQID-SNVBAGLBSA-N 1 0 234.299 1.090 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CCCN(C)C(=O)C2)c1 ZINC000191662882 357781892 /nfs/dbraw/zinc/78/18/92/357781892.db2.gz RUTWEORCJHRUCD-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCCOCC2)c1 ZINC000132725443 358734021 /nfs/dbraw/zinc/73/40/21/358734021.db2.gz LSZDHPNWHMASFF-UHFFFAOYSA-N 1 0 221.300 1.923 20 10 BDCDRO Oc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000132748929 358734990 /nfs/dbraw/zinc/73/49/90/358734990.db2.gz KNNNDSALWOAYJN-TXEJJXNPSA-N 1 0 219.284 1.755 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297326836 364788219 /nfs/dbraw/zinc/78/82/19/364788219.db2.gz NRWYJKSUEHFPML-WCBMZHEXSA-N 1 0 234.299 1.104 20 10 BDCDRO CCC[N@H+](C)CC(=O)N(C)c1ccc(N)cc1 ZINC000037273339 169065158 /nfs/dbraw/zinc/06/51/58/169065158.db2.gz IVJKVGQQFSXROI-UHFFFAOYSA-N 1 0 235.331 1.573 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CC1=CCCOC1 ZINC000290176187 183274693 /nfs/dbraw/zinc/27/46/93/183274693.db2.gz NHFCDXURGYYZBM-UHFFFAOYSA-N 1 0 237.274 1.968 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000294941261 183274756 /nfs/dbraw/zinc/27/47/56/183274756.db2.gz VIVNSDBVGHKUMF-AOOOYVTPSA-N 1 0 211.236 1.144 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCOC1 ZINC000226593961 183275296 /nfs/dbraw/zinc/27/52/96/183275296.db2.gz HREXTJRWTBOYFA-NSHDSACASA-N 1 0 225.263 1.800 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1C[C@@H](O)C1)CC2 ZINC000296013473 183298419 /nfs/dbraw/zinc/29/84/19/183298419.db2.gz RHOLVERVFLHICK-OUAUKWLOSA-N 1 0 219.284 1.492 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1O ZINC000125266125 183303663 /nfs/dbraw/zinc/30/36/63/183303663.db2.gz PYBCVWXVNMKILQ-ZYHUDNBSSA-N 1 0 207.273 1.395 20 10 BDCDRO CCCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000036780986 169228783 /nfs/dbraw/zinc/22/87/83/169228783.db2.gz NGGBGOYUONPNOH-SNVBAGLBSA-N 1 0 236.315 1.569 20 10 BDCDRO CCC[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000083351979 169390126 /nfs/dbraw/zinc/39/01/26/169390126.db2.gz JOIHVJVWIDTTDG-SNVBAGLBSA-N 1 0 222.288 1.136 20 10 BDCDRO C[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295809568 383849575 /nfs/dbraw/zinc/84/95/75/383849575.db2.gz CRYGRDVUZQCENP-WPRPVWTQSA-N 1 0 207.273 1.350 20 10 BDCDRO C[C@@H]([NH3+])CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000070317433 384101376 /nfs/dbraw/zinc/10/13/76/384101376.db2.gz YTGGVRKYMGHXJT-LLVKDONJSA-N 1 0 249.358 1.496 20 10 BDCDRO CC[N@H+](CCO)Cc1cccc(C)c1O ZINC000132477441 384190668 /nfs/dbraw/zinc/19/06/68/384190668.db2.gz CKIWTSCFBQKCPP-UHFFFAOYSA-N 1 0 209.289 1.515 20 10 BDCDRO C[C@@H]([NH2+]CCOCCO)c1cc(F)ccc1O ZINC000094616990 384308410 /nfs/dbraw/zinc/30/84/10/384308410.db2.gz GYJUOJDNJIMMKP-SECBINFHSA-N 1 0 243.278 1.191 20 10 BDCDRO COC[C@@H](C)C[NH2+]Cc1cccc(OC)c1O ZINC000045656413 384399895 /nfs/dbraw/zinc/39/98/95/384399895.db2.gz GDDQTNNJJKFEHD-JTQLQIEISA-N 1 0 239.315 1.773 20 10 BDCDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000077422647 384408653 /nfs/dbraw/zinc/40/86/53/384408653.db2.gz MUEXDFKYASTNEH-NWDGAFQWSA-N 1 0 236.359 1.859 20 10 BDCDRO C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000120821226 384384383 /nfs/dbraw/zinc/38/43/83/384384383.db2.gz GJLMVLIBOKYEQM-MFKMUULPSA-N 1 0 233.311 1.889 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)O)cc1 ZINC000082687396 384704063 /nfs/dbraw/zinc/70/40/63/384704063.db2.gz DXYJVJJBHSJMMC-UHFFFAOYSA-N 1 0 222.332 1.613 20 10 BDCDRO C[C@H](CCCO)[NH2+]Cc1ccccc1O ZINC000087358345 384772018 /nfs/dbraw/zinc/77/20/18/384772018.db2.gz XDEPVGPDLNLPRS-SNVBAGLBSA-N 1 0 209.289 1.643 20 10 BDCDRO CC(C)(O)C1C[NH+](Cc2cc(F)ccc2O)C1 ZINC000297524381 384839608 /nfs/dbraw/zinc/83/96/08/384839608.db2.gz YOKIDHCGWCBTHO-UHFFFAOYSA-N 1 0 239.290 1.734 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](C)CCO)c1 ZINC000085126302 384920192 /nfs/dbraw/zinc/92/01/92/384920192.db2.gz CSWJMSMLCLLTOX-LLVKDONJSA-N 1 0 223.316 1.809 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111339 385075173 /nfs/dbraw/zinc/07/51/73/385075173.db2.gz COJWEHCPVQVWFR-WPRPVWTQSA-N 1 0 227.279 1.953 20 10 BDCDRO C[N@H+](Cc1ccccc1O)CC1(CO)CC1 ZINC000188959956 385107752 /nfs/dbraw/zinc/10/77/52/385107752.db2.gz HFTSNEISSZMNFJ-UHFFFAOYSA-N 1 0 221.300 1.597 20 10 BDCDRO CC[C@H]([NH2+]CCO)c1ccc(N(C)C)cc1 ZINC000166486767 385247799 /nfs/dbraw/zinc/24/77/99/385247799.db2.gz BSXAWMBYRQRURF-ZDUSSCGKSA-N 1 0 222.332 1.786 20 10 BDCDRO C[C@H](O)C[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000130820276 385288847 /nfs/dbraw/zinc/28/88/47/385288847.db2.gz JCJRTEGZBHURBL-NSHDSACASA-N 1 0 222.332 1.565 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]CCCCO)c1 ZINC000193249685 385389070 /nfs/dbraw/zinc/38/90/70/385389070.db2.gz GKRSXDPQNOUHCD-UHFFFAOYSA-N 1 0 239.315 1.653 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C(C)(C)CC(N)=O)cc1 ZINC000193555501 385401012 /nfs/dbraw/zinc/40/10/12/385401012.db2.gz YPILYNYYNBRPEQ-UHFFFAOYSA-N 1 0 249.358 1.496 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1F ZINC000157651463 385513856 /nfs/dbraw/zinc/51/38/56/385513856.db2.gz JGLDZUNBJMBOIK-NSHDSACASA-N 1 0 238.306 1.458 20 10 BDCDRO CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000294785028 385896020 /nfs/dbraw/zinc/89/60/20/385896020.db2.gz OATZHPNBOJRRKX-STQMWFEESA-N 1 0 247.342 1.841 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1O ZINC000272378025 385899113 /nfs/dbraw/zinc/89/91/13/385899113.db2.gz HIESWTNHJVMHHW-GXFFZTMASA-N 1 0 221.300 1.595 20 10 BDCDRO COC[C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000226587917 386338550 /nfs/dbraw/zinc/33/85/50/386338550.db2.gz WNRHVQSDFNJVNP-SECBINFHSA-N 1 0 227.279 1.903 20 10 BDCDRO COC[C@H](C[NH2+][C@@H](C)c1ccccc1O)OC ZINC000228808805 386619686 /nfs/dbraw/zinc/61/96/86/386619686.db2.gz ZYXUZJVKMBQSIH-QWRGUYRKSA-N 1 0 239.315 1.704 20 10 BDCDRO CC(C)[N@H+](CCO)Cc1ccc(N(C)C)cc1 ZINC000267966150 386604371 /nfs/dbraw/zinc/60/43/71/386604371.db2.gz UQAHWZVQOPUJSA-UHFFFAOYSA-N 1 0 236.359 1.955 20 10 BDCDRO O=C1C[C@@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1 ZINC000279322485 386664822 /nfs/dbraw/zinc/66/48/22/386664822.db2.gz CGSGSSYTNZAZMT-AWEZNQCLSA-N 1 0 246.310 1.104 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000296094808 386709426 /nfs/dbraw/zinc/70/94/26/386709426.db2.gz YJZIETOCHFVXQO-QKCSRTOESA-N 1 0 234.343 1.927 20 10 BDCDRO CC[C@@H](CO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000295150877 386692653 /nfs/dbraw/zinc/69/26/53/386692653.db2.gz RDBSMFOJRKHLGT-ZDUSSCGKSA-N 1 0 236.359 1.955 20 10 BDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000234825142 387319514 /nfs/dbraw/zinc/31/95/14/387319514.db2.gz BTGOLSAUKLMKSA-WPRPVWTQSA-N 1 0 243.278 1.189 20 10 BDCDRO CN(C)c1ccc(C2=CC[N@H+](CCCO)C2)cc1 ZINC000374780325 387489539 /nfs/dbraw/zinc/48/95/39/387489539.db2.gz MEGWBKPXVDTUGX-UHFFFAOYSA-N 1 0 246.354 1.834 20 10 BDCDRO COCC[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000281375845 387572099 /nfs/dbraw/zinc/57/20/99/387572099.db2.gz VWBFAGWCRUTODP-LLVKDONJSA-N 1 0 243.278 1.018 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CCCOCC1 ZINC000226562556 134366016 /nfs/dbraw/zinc/36/60/16/134366016.db2.gz QUMKBRYMOPOLGI-UHFFFAOYSA-N 1 0 225.263 1.754 20 10 BDCDRO CC[N@H+](Cc1ccc(N(C)C)cc1)[C@H](C)CO ZINC000292373249 169907282 /nfs/dbraw/zinc/90/72/82/169907282.db2.gz YQPQHQQIZYXCLG-GFCCVEGCSA-N 1 0 236.359 1.955 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC000272355106 171088903 /nfs/dbraw/zinc/08/89/03/171088903.db2.gz DQWGERXUKJTDKS-RNCFNFMXSA-N 1 0 239.290 1.734 20 10 BDCDRO CC[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111342 171452838 /nfs/dbraw/zinc/45/28/38/171452838.db2.gz COJWEHCPVQVWFR-PSASIEDQSA-N 1 0 227.279 1.953 20 10 BDCDRO CC[C@H](O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000163988801 171576088 /nfs/dbraw/zinc/57/60/88/171576088.db2.gz SGYYXRHVLZMHHR-UWVGGRQHSA-N 1 0 239.315 1.822 20 10 BDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000294779687 171682124 /nfs/dbraw/zinc/68/21/24/171682124.db2.gz NORSRMMZWXAUBG-NWDGAFQWSA-N 1 0 233.315 1.595 20 10 BDCDRO CN(C)C(=O)CC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297542542 172360334 /nfs/dbraw/zinc/36/03/34/172360334.db2.gz FELINGIBGLXNNQ-NSHDSACASA-N 1 0 248.326 1.447 20 10 BDCDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179554744 172384291 /nfs/dbraw/zinc/38/42/91/172384291.db2.gz WGESFGIBZGPZGY-LBPRGKRZSA-N 1 0 248.326 1.445 20 10 BDCDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccccc1O ZINC000179585192 173294437 /nfs/dbraw/zinc/29/44/37/173294437.db2.gz QQYHCLCNLLIRGF-JTQLQIEISA-N 1 0 236.315 1.206 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000094617865 173302871 /nfs/dbraw/zinc/30/28/71/173302871.db2.gz KXPHJGDPIXJZDD-YUMQZZPRSA-N 1 0 240.278 1.316 20 10 BDCDRO COCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551261 174335089 /nfs/dbraw/zinc/33/50/89/174335089.db2.gz YTXAHIUBPHZLJJ-UHFFFAOYSA-N 1 0 215.680 1.782 20 10 BDCDRO COc1ccc(C[NH2+]C[C@@H](O)C2CC2)cc1C ZINC000071302176 175107318 /nfs/dbraw/zinc/10/73/18/175107318.db2.gz MRRLUMLJTYJNSY-CYBMUJFWSA-N 1 0 235.327 1.864 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)[C@H]2CCOC2)c1 ZINC000156098056 175157045 /nfs/dbraw/zinc/15/70/45/175157045.db2.gz IHPHSMCBXBVYCP-NSHDSACASA-N 1 0 237.299 1.622 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000179845023 175157937 /nfs/dbraw/zinc/15/79/37/175157937.db2.gz OXUWXHSZPZDCII-NSHDSACASA-N 1 0 237.299 1.358 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1 ZINC000367692452 175159256 /nfs/dbraw/zinc/15/92/56/175159256.db2.gz ZOIRVCHAAFUIHY-XYYAHUGASA-N 1 0 249.310 1.383 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@@H](C)CCO)c1 ZINC000097436196 175159530 /nfs/dbraw/zinc/15/95/30/175159530.db2.gz PQMBMGKLRGJOEL-JTQLQIEISA-N 1 0 239.315 1.509 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)c1O ZINC000368616975 175265577 /nfs/dbraw/zinc/26/55/77/175265577.db2.gz VKKGYWZTTWLDEE-CNDDSTCGSA-N 1 0 249.310 1.383 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)CCCO)c1O ZINC000094942277 175266602 /nfs/dbraw/zinc/26/66/02/175266602.db2.gz FYYHIWWCFFITPV-SNVBAGLBSA-N 1 0 239.315 1.651 20 10 BDCDRO COc1cccc(C[NH2+][C@H](C)[C@H](C)CO)c1O ZINC000077421969 175268344 /nfs/dbraw/zinc/26/83/44/175268344.db2.gz YNSVVNCQDGCUAB-NXEZZACHSA-N 1 0 239.315 1.507 20 10 BDCDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccc(N)cc1 ZINC000044412910 176222376 /nfs/dbraw/zinc/22/23/76/176222376.db2.gz JEIPMVWMTHKPFU-PWSUYJOCSA-N 1 0 247.342 1.355 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1O ZINC000289848546 177395856 /nfs/dbraw/zinc/39/58/56/177395856.db2.gz KMZMTKXJDKKYEH-ZYHUDNBSSA-N 1 0 248.326 1.397 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1COCCN1)c1ccccc1O ZINC000530218584 324535501 /nfs/dbraw/zinc/53/55/01/324535501.db2.gz CVRWBYJEPWMBMJ-QWRGUYRKSA-N 1 0 236.315 1.031 20 10 BDCDRO CC[C@@H](C(=O)NCc1ccccc1O)[NH+](C)C ZINC000269138053 491108729 /nfs/dbraw/zinc/10/87/29/491108729.db2.gz KYBBCXDIAQQXLN-NSHDSACASA-N 1 0 236.315 1.349 20 10 BDCDRO C[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083551130 491126423 /nfs/dbraw/zinc/12/64/23/491126423.db2.gz ONWIJCDMVUKNTL-SSDOTTSWSA-N 1 0 215.680 1.516 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@H]1CCc2cccc(O)c21 ZINC000854232472 588781509 /nfs/dbraw/zinc/78/15/09/588781509.db2.gz QUBXYVCTTFBWAG-ONGXEEELSA-N 1 0 220.316 1.577 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000877468775 583317333 /nfs/dbraw/zinc/31/73/33/583317333.db2.gz MPXKOIGQVHSBHJ-RYUDHWBXSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)c1 ZINC000814172969 583342933 /nfs/dbraw/zinc/34/29/33/583342933.db2.gz DSNRVZHRZRPGMR-OCCSQVGLSA-N 1 0 246.354 1.837 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCc3n[nH]cc3C2)c1O ZINC000857876522 588918759 /nfs/dbraw/zinc/91/87/59/588918759.db2.gz RVUIVOMHYZDULV-UHFFFAOYSA-N 1 0 243.310 1.982 20 10 BDCDRO CCOc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895647079 583699048 /nfs/dbraw/zinc/69/90/48/583699048.db2.gz JPOAANNJSGQUEF-FZMZJTMJSA-N 1 0 249.310 1.358 20 10 BDCDRO COc1cc(C)cc(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1O ZINC000895644902 583700376 /nfs/dbraw/zinc/70/03/76/583700376.db2.gz HYCDUDATDGTORF-BXUZGUMPSA-N 1 0 249.310 1.276 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895652512 583703761 /nfs/dbraw/zinc/70/37/61/583703761.db2.gz HTDKQYYMTKSCFW-CABZTGNLSA-N 1 0 223.247 1.098 20 10 BDCDRO CN(C)c1ccc(CNCc2cn[nH]n2)cc1F ZINC000858197715 588938389 /nfs/dbraw/zinc/93/83/89/588938389.db2.gz HCJCIYIHYJCJBK-UHFFFAOYSA-N 1 0 249.293 1.300 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@@H]1O ZINC000897684641 584039831 /nfs/dbraw/zinc/03/98/31/584039831.db2.gz UKYCONJMBNVKLS-PELKAZGASA-N 1 0 241.718 1.858 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897684007 584040590 /nfs/dbraw/zinc/04/05/90/584040590.db2.gz JCLFFDBFUCOINX-GWCFXTLKSA-N 1 0 221.300 1.513 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@H](F)C2)c1O ZINC000898187307 584094142 /nfs/dbraw/zinc/09/41/42/584094142.db2.gz JIEZVDVICFGOMV-NEPJUHHUSA-N 1 0 239.290 1.605 20 10 BDCDRO Oc1ccc(Cl)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000841041643 584118359 /nfs/dbraw/zinc/11/83/59/584118359.db2.gz CLGKMOWLSHMUMG-LLVKDONJSA-N 1 0 240.734 1.887 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1[O-] ZINC000902485238 584624680 /nfs/dbraw/zinc/62/46/80/584624680.db2.gz JSMCLYUZIVAPNM-QXEWZRGKSA-N 1 0 238.306 1.919 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1cccc(Cl)c1[O-] ZINC000841076979 584764538 /nfs/dbraw/zinc/76/45/38/584764538.db2.gz VSPHSJXLLRAZLE-HTQZYQBOSA-N 1 0 228.723 1.871 20 10 BDCDRO CCN(CC)c1ccc(C[NH2+][C@H]2CNOC2)cc1 ZINC000904427383 584881474 /nfs/dbraw/zinc/88/14/74/584881474.db2.gz ZANDYRMQUSWSOG-ZDUSSCGKSA-N 1 0 249.358 1.526 20 10 BDCDRO C[N@H+](CCNC(=O)C1=CC(=O)CS1)C1CC1 ZINC000731871151 584930160 /nfs/dbraw/zinc/93/01/60/584930160.db2.gz FBWKQGMZNJATDM-UHFFFAOYSA-N 1 0 240.328 1.278 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1c(O)cccc1OC ZINC000732229330 584934591 /nfs/dbraw/zinc/93/45/91/584934591.db2.gz RGGGFYMBIOHCPL-CYBMUJFWSA-N 1 0 239.315 1.651 20 10 BDCDRO COc1cccc(C[NH2+][C@H](CO)C2CC2)c1O ZINC000734164118 584959156 /nfs/dbraw/zinc/95/91/56/584959156.db2.gz KIMCAFZNXIZKCJ-LLVKDONJSA-N 1 0 237.299 1.261 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+]C[C@@H](C)[NH3+])c1 ZINC000817972707 584993959 /nfs/dbraw/zinc/99/39/59/584993959.db2.gz NVQDJRBLEZNTMH-ZJUUUORDSA-N 1 0 208.305 1.698 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CC(C)(CO)C2)c1 ZINC000839145041 585092051 /nfs/dbraw/zinc/09/20/51/585092051.db2.gz FYNJSGJKZNPATD-UHFFFAOYSA-N 1 0 237.299 1.215 20 10 BDCDRO Cc1cc(O)c(CN(C)[C@@H](C)C[NH3+])cc1C ZINC000843053039 585332220 /nfs/dbraw/zinc/33/22/20/585332220.db2.gz YMBHBPNBJCBQCO-NSHDSACASA-N 1 0 222.332 1.788 20 10 BDCDRO COc1cccc(O)c1CN1CC[NH2+][C@@H](C)C1 ZINC000768140883 585532886 /nfs/dbraw/zinc/53/28/86/585532886.db2.gz YKGZKFXRWJJFKI-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768443972 585538930 /nfs/dbraw/zinc/53/89/30/585538930.db2.gz KEISHHWBFQAHRR-ZANVPECISA-N 1 0 249.310 1.660 20 10 BDCDRO CC[N@H+](CCCO)Cc1cc(OC)ccc1O ZINC000775717054 585683301 /nfs/dbraw/zinc/68/33/01/585683301.db2.gz QLBDDJBZJUHSJC-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO CCOc1ccc(C[N@H+](C)C[C@@H](C)O)c(O)c1 ZINC000776520803 585700002 /nfs/dbraw/zinc/70/00/02/585700002.db2.gz GTSQWPRRNIFAPI-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO OC[C@@H](CC1CC1)[NH2+]Cc1cc(F)ccc1O ZINC000779099585 585745166 /nfs/dbraw/zinc/74/51/66/585745166.db2.gz LEECHLACNFDGFI-GFCCVEGCSA-N 1 0 239.290 1.782 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783734559 585841172 /nfs/dbraw/zinc/84/11/72/585841172.db2.gz MQUWQRGQFOJVPM-RISCZKNCSA-N 1 0 249.310 1.215 20 10 BDCDRO CC(=O)[C@@](C)(O)C[N@H+](C)Cc1ccccc1O ZINC000809576431 586507744 /nfs/dbraw/zinc/50/77/44/586507744.db2.gz VUCKVWZWIOMBGI-ZDUSSCGKSA-N 1 0 237.299 1.164 20 10 BDCDRO Cc1cc(C[N@H+]2C[C@@H](C)[C@H](O)C2)ccc1N(C)C ZINC000815081055 586665954 /nfs/dbraw/zinc/66/59/54/586665954.db2.gz QOCRTPYXGBSYBA-IUODEOHRSA-N 1 0 248.370 1.874 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1c(O)cccc1OC ZINC000816637177 586746189 /nfs/dbraw/zinc/74/61/89/586746189.db2.gz VRAPMELJBWHFLD-JTQLQIEISA-N 1 0 237.299 1.622 20 10 BDCDRO C[C@@H]([NH2+]CCC[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817938956 586843914 /nfs/dbraw/zinc/84/39/14/586843914.db2.gz WHEPHJIQUBHGCT-SSDOTTSWSA-N 1 0 230.258 1.670 20 10 BDCDRO Oc1cccc2c1[C@@H](N[C@H]1CCC[NH2+]C1)CC2 ZINC000817941955 586845262 /nfs/dbraw/zinc/84/52/62/586845262.db2.gz USIHIAPPXGQHCV-RYUDHWBXSA-N 1 0 232.327 1.721 20 10 BDCDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945070 586846525 /nfs/dbraw/zinc/84/65/25/586846525.db2.gz SPMLADFWIXWHQA-PSASIEDQSA-N 1 0 224.279 1.544 20 10 BDCDRO CC[NH2+]CCN[C@H](C)c1cc(C)ccc1O ZINC000817951610 586847816 /nfs/dbraw/zinc/84/78/16/586847816.db2.gz HIDRLLHWRJWMBD-LLVKDONJSA-N 1 0 222.332 1.961 20 10 BDCDRO C[NH2+]CCN[C@H]1C[C@@H](C)c2c1c(O)ccc2F ZINC000817952587 586847835 /nfs/dbraw/zinc/84/78/35/586847835.db2.gz RULDXIWTMGXGDA-SCZZXKLOSA-N 1 0 238.306 1.889 20 10 BDCDRO CCN(C)c1ccc([C@H](C)NC2C[NH2+]C2)cc1 ZINC000817955601 586850096 /nfs/dbraw/zinc/85/00/96/586850096.db2.gz ZRKJYVDWVWGWQC-NSHDSACASA-N 1 0 233.359 1.765 20 10 BDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1nccn1C ZINC000817955488 586850203 /nfs/dbraw/zinc/85/02/03/586850203.db2.gz BZQXXKUXISRLSQ-LLVKDONJSA-N 1 0 244.342 1.896 20 10 BDCDRO C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817965933 586855696 /nfs/dbraw/zinc/85/56/96/586855696.db2.gz XCTLLZKVBKZMII-UFBFGSQYSA-N 1 0 238.306 1.919 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CN)c1 ZINC000817970511 586858167 /nfs/dbraw/zinc/85/81/67/586858167.db2.gz YBJFFPQBBAMXQT-UWVGGRQHSA-N 1 0 208.305 1.698 20 10 BDCDRO CCCN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000818103321 586874174 /nfs/dbraw/zinc/87/41/74/586874174.db2.gz RVKDJUDJELAVRD-NEPJUHHUSA-N 1 0 248.326 1.478 20 10 BDCDRO COC(=O)C1(C)C[NH+](Cc2ccccc2O)C1 ZINC000822534603 587173632 /nfs/dbraw/zinc/17/36/32/587173632.db2.gz PFOURJLIKCWRNJ-UHFFFAOYSA-N 1 0 235.283 1.387 20 10 BDCDRO COc1cccc(O)c1C[NH+]1CC2(CC2)C1 ZINC000824533374 587273895 /nfs/dbraw/zinc/27/38/95/587273895.db2.gz DXZNBKHLRLFVEZ-UHFFFAOYSA-N 1 0 219.284 1.997 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000825257065 587311474 /nfs/dbraw/zinc/31/14/74/587311474.db2.gz SSBAMZHCRLBOTD-LPEHRKFASA-N 1 0 237.299 1.575 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C/C=C/CO)cc1Cl ZINC000826942158 587366361 /nfs/dbraw/zinc/36/63/61/587366361.db2.gz NKEBLJKOPXRBIU-NSCUHMNNSA-N 1 0 241.718 1.992 20 10 BDCDRO C[C@H]1C[NH+](Cc2ccccc2O)C[C@H](C)C1O ZINC000827151971 587371238 /nfs/dbraw/zinc/37/12/38/587371238.db2.gz OISOFLGMNNNAEE-QWRGUYRKSA-N 1 0 235.327 1.841 20 10 BDCDRO CCCC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832286103 587653021 /nfs/dbraw/zinc/65/30/21/587653021.db2.gz WDLJSLLOJJQORV-ZDUSSCGKSA-N 1 0 249.358 1.669 20 10 BDCDRO C[C@@H]([NH2+]C1CC1)C(=O)NCCc1ccc(N)cc1 ZINC000832659108 587674894 /nfs/dbraw/zinc/67/48/94/587674894.db2.gz MKZQDJZUMJOKSQ-SNVBAGLBSA-N 1 0 247.342 1.068 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCO ZINC000840907725 587928659 /nfs/dbraw/zinc/92/86/59/587928659.db2.gz HMYXAQZJIBLIJE-UHFFFAOYSA-N 1 0 222.332 1.485 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CO ZINC000840935327 587930827 /nfs/dbraw/zinc/93/08/27/587930827.db2.gz LYXJFGLDOBQEJE-NSHDSACASA-N 1 0 222.332 1.531 20 10 BDCDRO Oc1ccc(F)cc1CN1CCO[C@@H](CF)C1 ZINC000840955752 587931910 /nfs/dbraw/zinc/93/19/10/587931910.db2.gz YOVQOIQLSBYYLX-NSHDSACASA-N 1 0 243.253 1.702 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H](CN)C2CC2)cc1 ZINC000841027484 587935951 /nfs/dbraw/zinc/93/59/51/587935951.db2.gz BYUAIVVLONPBQK-AWEZNQCLSA-N 1 0 233.359 1.580 20 10 BDCDRO CC(C)[C@H]([NH3+])C[NH2+]Cc1cccc(F)c1[O-] ZINC000841029033 587936465 /nfs/dbraw/zinc/93/64/65/587936465.db2.gz DKLSRZAZGSAWLT-LLVKDONJSA-N 1 0 226.295 1.604 20 10 BDCDRO Cc1n[nH]c(C)c1C[NH2+]CCc1ccc(N)cc1 ZINC000841034587 587937140 /nfs/dbraw/zinc/93/71/40/587937140.db2.gz DNPWNRWSBNTRTN-UHFFFAOYSA-N 1 0 244.342 1.941 20 10 BDCDRO CC(C)[C@@H]([NH3+])CNCc1cc(F)ccc1O ZINC000841031764 587937197 /nfs/dbraw/zinc/93/71/97/587937197.db2.gz WQXUMVLMIUDZKZ-NSHDSACASA-N 1 0 226.295 1.604 20 10 BDCDRO C[NH2+]CCNCc1ccc(N2CCCCC2)cc1 ZINC000841036741 587937484 /nfs/dbraw/zinc/93/74/84/587937484.db2.gz SXCAEYUFGTWOOI-UHFFFAOYSA-N 1 0 247.386 1.986 20 10 BDCDRO Nc1ccc(CC[NH2+]CC[C@H]2CCOC2)cc1 ZINC000841038775 587937708 /nfs/dbraw/zinc/93/77/08/587937708.db2.gz QCEWSSIJIFFJJW-ZDUSSCGKSA-N 1 0 234.343 1.828 20 10 BDCDRO CCC[NH2+]CCNCc1ccccc1O ZINC000841046737 587939257 /nfs/dbraw/zinc/93/92/57/587939257.db2.gz MDRTWODYPBQNJQ-UHFFFAOYSA-N 1 0 208.305 1.481 20 10 BDCDRO C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841062600 587942007 /nfs/dbraw/zinc/94/20/07/587942007.db2.gz AWKYRBZSGXDTNV-CABZTGNLSA-N 1 0 238.306 1.619 20 10 BDCDRO Cc1cccc(CN[C@H](CC[NH3+])C(F)F)c1O ZINC000841075068 587944081 /nfs/dbraw/zinc/94/40/81/587944081.db2.gz VLFSONPPIXEMGH-SNVBAGLBSA-N 1 0 244.285 1.773 20 10 BDCDRO CC1(C)[NH2+]CC[C@@H]1NCc1cc(F)ccc1O ZINC000841086078 587945794 /nfs/dbraw/zinc/94/57/94/587945794.db2.gz LTIUWEVYQAPQQJ-LBPRGKRZSA-N 1 0 238.306 1.761 20 10 BDCDRO C[C@@H]([NH2+]CCO)c1ccc(Cl)cc1O ZINC000841743125 587973503 /nfs/dbraw/zinc/97/35/03/587973503.db2.gz CTBBHHHASBLHFK-SSDOTTSWSA-N 1 0 215.680 1.689 20 10 BDCDRO C[C@H]([NH2+]CCO)c1ccc(Cl)cc1O ZINC000841743126 587973679 /nfs/dbraw/zinc/97/36/79/587973679.db2.gz CTBBHHHASBLHFK-ZETCQYMHSA-N 1 0 215.680 1.689 20 10 BDCDRO C[C@@]1(C(=O)NCCc2ccc(N)cc2)CCC[NH2+]1 ZINC000841848132 587977241 /nfs/dbraw/zinc/97/72/41/587977241.db2.gz WUOAEMHRKUSISW-AWEZNQCLSA-N 1 0 247.342 1.070 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1 ZINC000841890463 587981899 /nfs/dbraw/zinc/98/18/99/587981899.db2.gz BDQIJOVCPOTHSJ-XBXGTLAGSA-N 1 0 234.343 1.756 20 10 BDCDRO C[NH+](C)C1(CNC(=O)C2=CC(=O)CS2)CC1 ZINC000842271591 588010403 /nfs/dbraw/zinc/01/04/03/588010403.db2.gz LQMYQWJTVQDWGP-UHFFFAOYSA-N 1 0 240.328 1.278 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CCC[C@H]([NH3+])C1 ZINC000843047331 588076386 /nfs/dbraw/zinc/07/63/86/588076386.db2.gz LVDJSYJFNHSKBG-AWEZNQCLSA-N 1 0 247.386 1.984 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CC[C@H]([NH3+])C1 ZINC000843047418 588076474 /nfs/dbraw/zinc/07/64/74/588076474.db2.gz UQGAISSCKZLGHR-ZDUSSCGKSA-N 1 0 233.359 1.594 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN(C)[C@H]1CC[NH2+]C1 ZINC000843049220 588076556 /nfs/dbraw/zinc/07/65/56/588076556.db2.gz HJLGYMATNJHXTE-HNNXBMFYSA-N 1 0 247.386 1.855 20 10 BDCDRO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843058047 588077861 /nfs/dbraw/zinc/07/78/61/588077861.db2.gz NZRRFYRTVYDVOW-VHSXEESVSA-N 1 0 238.306 1.700 20 10 BDCDRO COc1cccc(C[N@H+](C)[C@@H](C)CCO)c1O ZINC000846108571 588256839 /nfs/dbraw/zinc/25/68/39/588256839.db2.gz BLAJYDWSRNXJHO-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO CC[C@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846135207 588258377 /nfs/dbraw/zinc/25/83/77/588258377.db2.gz CBSCDJISGIIBOI-VHSXEESVSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]CC(C)(C)O)c1O ZINC000846148192 588258701 /nfs/dbraw/zinc/25/87/01/588258701.db2.gz YBHUZFSEMVBQDK-VIFPVBQESA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@H]2CCOC2)c1O ZINC000846158496 588258767 /nfs/dbraw/zinc/25/87/67/588258767.db2.gz ZWTBGEHJIMZEKJ-UWVGGRQHSA-N 1 0 237.299 1.840 20 10 BDCDRO NC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000846195733 588259810 /nfs/dbraw/zinc/25/98/10/588259810.db2.gz ZZJOHHPFGSZTEA-OUAUKWLOSA-N 1 0 246.310 1.233 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H](CO)CCF)c1O ZINC000848918722 588420742 /nfs/dbraw/zinc/42/07/42/588420742.db2.gz JNMCZADOOVPYEO-GFCCVEGCSA-N 1 0 241.306 1.765 20 10 BDCDRO CN(C)c1ccc(CNC(=[NH2+])N2CCC2)cc1 ZINC000848982333 588424184 /nfs/dbraw/zinc/42/41/84/588424184.db2.gz HVIIJJZJNLMOPE-UHFFFAOYSA-N 1 0 232.331 1.483 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000849009171 588434423 /nfs/dbraw/zinc/43/44/23/588434423.db2.gz IBNDGDFVFWUHBV-LLVKDONJSA-N 1 0 246.358 1.498 20 10 BDCDRO Nc1ccc(-n2cc(C3CC[NH2+]CC3)nn2)cc1 ZINC000849134779 588453507 /nfs/dbraw/zinc/45/35/07/588453507.db2.gz OSMWTCWGEAPABR-UHFFFAOYSA-N 1 0 243.314 1.317 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C/C=C/CO)cc1C ZINC000850357700 588539515 /nfs/dbraw/zinc/53/95/15/588539515.db2.gz RZAAUSJSMOVPFQ-ONEGZZNKSA-N 1 0 221.300 1.647 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@@H]2CCC(=O)N2)cc1C ZINC000850389295 588543036 /nfs/dbraw/zinc/54/30/36/588543036.db2.gz XMMPENUACFDYDW-LBPRGKRZSA-N 1 0 248.326 1.377 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000850418025 588545189 /nfs/dbraw/zinc/54/51/89/588545189.db2.gz VSFHEAIPPJRHOG-MGCOHNPYSA-N 1 0 223.272 1.014 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CCC3(COC3)C2)cc1 ZINC000852683731 588695297 /nfs/dbraw/zinc/69/52/97/588695297.db2.gz QZKFQZJGOWFJMH-UHFFFAOYSA-N 1 0 246.354 1.975 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2[NH2+]CC23CCCC3)cc1 ZINC000852824992 588705988 /nfs/dbraw/zinc/70/59/88/588705988.db2.gz FLJWSXOBPGKZFJ-LBPRGKRZSA-N 1 0 245.326 1.740 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cccc(C)c1O ZINC000863481842 589292571 /nfs/dbraw/zinc/29/25/71/589292571.db2.gz MDRKNSHJVZORBD-QWHCGFSZSA-N 1 0 234.343 1.931 20 10 BDCDRO COc1ccc(CNC(=[NH2+])N[C@H]2C[C@H]2C)c(O)c1 ZINC000864465425 589371012 /nfs/dbraw/zinc/37/10/12/589371012.db2.gz WJGUAGWULLINKN-KCJUWKMLSA-N 1 0 249.314 1.423 20 10 BDCDRO C[C@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1O ZINC000870988770 589707426 /nfs/dbraw/zinc/70/74/26/589707426.db2.gz ZDAFYLQGHORIFP-HZMBPMFUSA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccccc1O ZINC000870988772 589708137 /nfs/dbraw/zinc/70/81/37/589708137.db2.gz ZDAFYLQGHORIFP-QMTHXVAHSA-N 1 0 248.326 1.569 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1cc(OC)ccc1O ZINC000020087726 590072316 /nfs/dbraw/zinc/07/23/16/590072316.db2.gz IISOBCDJUCVSPD-VIFPVBQESA-N 1 0 225.288 1.525 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CCCN(C)C2)c1O ZINC000124729579 590079789 /nfs/dbraw/zinc/07/97/89/590079789.db2.gz LDXJVRHRIIJWEL-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1cccc(C[NH2+]CCC(=O)N(C)C)c1O ZINC000124753544 590081481 /nfs/dbraw/zinc/08/14/81/590081481.db2.gz WTLHDPMTRUVSOF-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000876503674 590204170 /nfs/dbraw/zinc/20/41/70/590204170.db2.gz CDPOFZGLTXXKHA-ROPFINNVSA-N 1 0 245.326 1.619 20 10 BDCDRO Nc1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000876504745 590204197 /nfs/dbraw/zinc/20/41/97/590204197.db2.gz VHMPREGDKZIPKQ-UHFFFAOYSA-N 1 0 219.288 1.207 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](C(N)=O)C2)c(O)c1 ZINC000876522913 590208003 /nfs/dbraw/zinc/20/80/03/590208003.db2.gz GGZBIDMQKNNZDW-NSHDSACASA-N 1 0 234.299 1.008 20 10 BDCDRO Cc1cccc(O)c1CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000876714007 590232639 /nfs/dbraw/zinc/23/26/39/590232639.db2.gz SAGWKUJXWZEMMU-ZDUSSCGKSA-N 1 0 246.354 1.981 20 10 BDCDRO CC[N@H+](CCCO)Cc1ccc(C)cc1O ZINC000876766267 590239748 /nfs/dbraw/zinc/23/97/48/590239748.db2.gz GSBOUVPBCXHGFJ-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1ccccc1O ZINC000876878192 590252219 /nfs/dbraw/zinc/25/22/19/590252219.db2.gz TXASUZWKYPCFAK-CMPLNLGQSA-N 1 0 248.326 1.382 20 10 BDCDRO COCCC[NH2+]Cc1c(C)cccc1O ZINC000876887293 590254144 /nfs/dbraw/zinc/25/41/44/590254144.db2.gz QXMDCMXDUXTUOU-UHFFFAOYSA-N 1 0 209.289 1.827 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1COCCO1 ZINC000876951208 590260556 /nfs/dbraw/zinc/26/05/56/590260556.db2.gz HBDGDLLRAMSWAD-NSHDSACASA-N 1 0 237.299 1.206 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC(C)(C)O ZINC000877040472 590273291 /nfs/dbraw/zinc/27/32/91/590273291.db2.gz XIIXLOJCFAIMCL-UHFFFAOYSA-N 1 0 209.289 1.561 20 10 BDCDRO COC[C@H](CCO)[NH2+]Cc1c(C)cccc1O ZINC000877048317 590274469 /nfs/dbraw/zinc/27/44/69/590274469.db2.gz KSAHLSMDHNTZNA-NSHDSACASA-N 1 0 239.315 1.188 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1ccc(C)cc1O ZINC000877054945 590275238 /nfs/dbraw/zinc/27/52/38/590275238.db2.gz LWMYHYBLRGJRSZ-GFCCVEGCSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)[C@H](C)CO)c(O)c1 ZINC000877057451 590275807 /nfs/dbraw/zinc/27/58/07/590275807.db2.gz FCUHILBRTHWRCN-GHMZBOCLSA-N 1 0 223.316 1.807 20 10 BDCDRO CN(C(=O)CC1([NH3+])CC1)c1ccc(N)cc1 ZINC000877074715 590278243 /nfs/dbraw/zinc/27/82/43/590278243.db2.gz QQXLZKXMTUVROK-UHFFFAOYSA-N 1 0 219.288 1.113 20 10 BDCDRO CC(C)[C@H](C(=O)N(C)c1ccc(N)cc1)[C@H](C)[NH3+] ZINC000877076067 590278583 /nfs/dbraw/zinc/27/85/83/590278583.db2.gz LUVAQDZZBUPXEE-GWCFXTLKSA-N 1 0 249.358 1.851 20 10 BDCDRO CN(C(=O)[C@@H]1CCC[NH2+]CC1)c1ccc(N)cc1 ZINC000877075854 590278866 /nfs/dbraw/zinc/27/88/66/590278866.db2.gz JZVDBTOHTLPNMQ-LLVKDONJSA-N 1 0 247.342 1.621 20 10 BDCDRO C[C@H]([NH2+]C1CC1)C(=O)N(C)c1ccc(N)cc1 ZINC000877078013 590279019 /nfs/dbraw/zinc/27/90/19/590279019.db2.gz ZDDHTJKVTDLCTI-VIFPVBQESA-N 1 0 233.315 1.372 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077503 590279078 /nfs/dbraw/zinc/27/90/78/590279078.db2.gz KXFKDULTSBYITR-CABZTGNLSA-N 1 0 233.315 1.230 20 10 BDCDRO CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)c1ccc(N)cc1 ZINC000877077685 590279367 /nfs/dbraw/zinc/27/93/67/590279367.db2.gz QVYSMSKSXUFYON-TZMCWYRMSA-N 1 0 245.326 1.231 20 10 BDCDRO Cc1ccc(C[NH2+]CC[C@@H](C)O)c(O)c1 ZINC000877090893 590280720 /nfs/dbraw/zinc/28/07/20/590280720.db2.gz XUTZSAMXTRQTMV-SNVBAGLBSA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)CCCO ZINC000877109243 590286797 /nfs/dbraw/zinc/28/67/97/590286797.db2.gz DDQWYKCVDSTAIA-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1CCOC1 ZINC000877112699 590287337 /nfs/dbraw/zinc/28/73/37/590287337.db2.gz TXIZFJGHWFZKQK-JTQLQIEISA-N 1 0 207.273 1.579 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H](C)N(C)C)c(O)c1 ZINC000877150629 590292592 /nfs/dbraw/zinc/29/25/92/590292592.db2.gz XTPZXBVRLRRIPO-LLVKDONJSA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000877157752 590294047 /nfs/dbraw/zinc/29/40/47/590294047.db2.gz BCOPZNLWTOSMAR-NWDGAFQWSA-N 1 0 233.311 1.727 20 10 BDCDRO Cc1ccc(C[N@@H+](C)C2CC(O)C2)c(O)c1 ZINC000877344689 590317972 /nfs/dbraw/zinc/31/79/72/590317972.db2.gz LZAQAAPCWZUMOO-UHFFFAOYSA-N 1 0 221.300 1.656 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000877430385 590325383 /nfs/dbraw/zinc/32/53/83/590325383.db2.gz HHFMRSIEBWHOAI-QWHCGFSZSA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)c(O)c1 ZINC000877493068 590339538 /nfs/dbraw/zinc/33/95/38/590339538.db2.gz DAESLCHYQHCJNK-AWEZNQCLSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000877505021 590342262 /nfs/dbraw/zinc/34/22/62/590342262.db2.gz WONZMQHLNZWZFK-ZDUSSCGKSA-N 1 0 239.290 1.607 20 10 BDCDRO Cc1ccc(C[N@H+](C)CCOCCO)c(O)c1 ZINC000877502949 590343012 /nfs/dbraw/zinc/34/30/12/590343012.db2.gz WWCQDMPRCYYWNL-UHFFFAOYSA-N 1 0 239.315 1.141 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCN2CCC1CC2 ZINC000877527383 590349017 /nfs/dbraw/zinc/34/90/17/590349017.db2.gz RIIWDCMQVCKQKG-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C1CSC1 ZINC000877635485 590380648 /nfs/dbraw/zinc/38/06/48/590380648.db2.gz SWENENCVHIKCQE-UHFFFAOYSA-N 1 0 225.313 1.606 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2C[C@@H](O)C2)c(O)c1 ZINC000877656755 590386421 /nfs/dbraw/zinc/38/64/21/590386421.db2.gz APYJSDMRSMILNK-KLPPZKSPSA-N 1 0 221.300 1.561 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000877657596 590386357 /nfs/dbraw/zinc/38/63/57/590386357.db2.gz KSIVEDUMGBWBTR-PHIMTYICSA-N 1 0 221.300 1.561 20 10 BDCDRO CO[C@H]1C[C@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877660965 590386995 /nfs/dbraw/zinc/38/69/95/590386995.db2.gz UBEXLRSQPFPGGV-XYPYZODXSA-N 1 0 221.300 1.968 20 10 BDCDRO C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1O ZINC000126770311 590441551 /nfs/dbraw/zinc/44/15/51/590441551.db2.gz DGUZVOCCOSGBTH-QWRGUYRKSA-N 1 0 220.316 1.561 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)O1)c1ccccc1O ZINC000879649575 590841140 /nfs/dbraw/zinc/84/11/40/590841140.db2.gz WIOLWSFETJTVBO-ZJUUUORDSA-N 1 0 235.283 1.748 20 10 BDCDRO C[C@@H]([NH2+]CCc1cn[nH]n1)c1ccccc1O ZINC000879649442 590841724 /nfs/dbraw/zinc/84/17/24/590841724.db2.gz TZEUHTGUHZWYNL-SECBINFHSA-N 1 0 232.287 1.404 20 10 BDCDRO CCN(C#N)CC[NH2+][C@@H](C)c1ccccc1O ZINC000879650215 590843663 /nfs/dbraw/zinc/84/36/63/590843663.db2.gz PYTYCZCZJFLQDK-NSHDSACASA-N 1 0 233.315 1.846 20 10 BDCDRO CN(C[C@@H]1CCC[NH2+]1)c1ccc2c(c1)OCO2 ZINC000211259386 591153075 /nfs/dbraw/zinc/15/30/75/591153075.db2.gz NIAOKNNEIDDLLM-JTQLQIEISA-N 1 0 234.299 1.604 20 10 BDCDRO CN(Cc1ccccc1O)C[C@H]1CCC[N@@H+]1C ZINC000211616642 591209161 /nfs/dbraw/zinc/20/91/61/591209161.db2.gz ZBWWOXIZBDPEGS-CYBMUJFWSA-N 1 0 234.343 1.918 20 10 BDCDRO O=C1CC[C@@H]2C[N@H+](Cc3ccccc3O)CCN12 ZINC000211633305 591209396 /nfs/dbraw/zinc/20/93/96/591209396.db2.gz IHCNKIPXRWHITO-GFCCVEGCSA-N 1 0 246.310 1.199 20 10 BDCDRO C[C@@H](CC[NH2+]Cc1ccccc1O)[S@@](C)=O ZINC000132556182 591718440 /nfs/dbraw/zinc/71/84/40/591718440.db2.gz YOROUQMTHCOGTQ-QFYYESIMSA-N 1 0 241.356 1.639 20 10 BDCDRO Nc1ccc(CCNC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC000884028909 591812718 /nfs/dbraw/zinc/81/27/18/591812718.db2.gz VZHIMHPVLSEQRF-ZDUSSCGKSA-N 1 0 247.342 1.055 20 10 BDCDRO CN(C(=O)[C@@H]([NH3+])CC1CC1)c1ccc(N)cc1 ZINC000884441712 591935686 /nfs/dbraw/zinc/93/56/86/591935686.db2.gz NTQJKQHYQLGFTL-LBPRGKRZSA-N 1 0 233.315 1.359 20 10 BDCDRO COc1ccc(O)c(C[N@H+]2CC[C@@H](OC)C2)c1 ZINC000300046223 592501062 /nfs/dbraw/zinc/50/10/62/592501062.db2.gz RQGDNTRCNHMSOP-GFCCVEGCSA-N 1 0 237.299 1.622 20 10 BDCDRO CCN(CC[NH3+])Cc1cc(F)ccc1O ZINC000300875565 592523687 /nfs/dbraw/zinc/52/36/87/592523687.db2.gz YDMTVGRCMRYQPH-UHFFFAOYSA-N 1 0 212.268 1.312 20 10 BDCDRO COCC(C)(C)[NH2+]Cc1ccccc1O ZINC000066995979 635401092 /nfs/dbraw/zinc/40/10/92/635401092.db2.gz ZJTWGWHZDBDHTR-UHFFFAOYSA-N 1 0 209.289 1.907 20 10 BDCDRO CC[C@H]([NH2+][C@H]1CNOC1)c1ccccc1O ZINC000925869462 635580129 /nfs/dbraw/zinc/58/01/29/635580129.db2.gz LOZOWNZFEZICPJ-ONGXEEELSA-N 1 0 222.288 1.336 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2CC[C@H]2CO)cc1 ZINC000934013194 631590197 /nfs/dbraw/zinc/59/01/97/631590197.db2.gz GFOZJSOVUIJEJE-AWEZNQCLSA-N 1 0 234.343 1.709 20 10 BDCDRO COC(=O)CC(C)(C)[NH2+]Cc1ccccc1O ZINC000237133385 635816738 /nfs/dbraw/zinc/81/67/38/635816738.db2.gz NHKCNZHZPYLQAE-UHFFFAOYSA-N 1 0 237.299 1.824 20 10 BDCDRO Cc1ccc(O)c(CN2CCC[C@@H]2C[NH3+])c1 ZINC000168810551 633149207 /nfs/dbraw/zinc/14/92/07/633149207.db2.gz CBYJBSXHZQWQGN-GFCCVEGCSA-N 1 0 220.316 1.624 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H](C)CC(N)=O)c1 ZINC000168827853 633151504 /nfs/dbraw/zinc/15/15/04/633151504.db2.gz VBNSXNZJWLOXGX-NXEZZACHSA-N 1 0 236.315 1.615 20 10 BDCDRO Cc1cccc(CN(C)C2C[NH2+]C2)c1O ZINC000309630860 633215895 /nfs/dbraw/zinc/21/58/95/633215895.db2.gz KLIMJGPFYLQOKP-UHFFFAOYSA-N 1 0 206.289 1.104 20 10 BDCDRO [NH3+][C@@H](CC1CC1)C(=O)NCc1ccccc1O ZINC000310268692 636007269 /nfs/dbraw/zinc/00/72/69/636007269.db2.gz SCLRARBMNGRUQK-NSHDSACASA-N 1 0 234.299 1.136 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCN2CCC2)c1 ZINC000309857805 634033458 /nfs/dbraw/zinc/03/34/58/634033458.db2.gz LHBDOHRINVHJRC-UHFFFAOYSA-N 1 0 220.316 1.496 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CCC[C@H]2O)c1O ZINC000323520364 635136560 /nfs/dbraw/zinc/13/65/60/635136560.db2.gz HQOMYCIECLCSKM-GHMZBOCLSA-N 1 0 237.299 1.404 20 10 BDCDRO c1cc2c(cc1CNC[C@H]1CCC[NH2+]1)CCCO2 ZINC000258919088 635226161 /nfs/dbraw/zinc/22/61/61/635226161.db2.gz OGDWVXKKFOTRQL-CQSZACIVSA-N 1 0 246.354 1.853 20 10 BDCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@H](C)[NH2+]1 ZINC000220137310 635300891 /nfs/dbraw/zinc/30/08/91/635300891.db2.gz LEZPBNOSARMKRZ-AOOOYVTPSA-N 1 0 238.306 1.714 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000894940972 636009735 /nfs/dbraw/zinc/00/97/35/636009735.db2.gz QCYWLVWVPOJQHQ-PHIMTYICSA-N 1 0 237.299 1.322 20 10 BDCDRO C[NH2+]C[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000237250231 636121442 /nfs/dbraw/zinc/12/14/42/636121442.db2.gz HGXHNVBVPAWQRC-MRVPVSSYSA-N 1 0 207.277 1.063 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000322784275 636880150 /nfs/dbraw/zinc/88/01/50/636880150.db2.gz LXMARSLATKRYHX-JTQLQIEISA-N 1 0 236.315 1.315 20 10 BDCDRO Oc1cc2c(cc1C[NH2+]C/C=C/Cl)OCO2 ZINC000898436960 637041708 /nfs/dbraw/zinc/04/17/08/637041708.db2.gz XFJSEQWRPYJBHL-OWOJBTEDSA-N 1 0 241.674 1.963 20 10 BDCDRO COc1ccc(C[NH2+]CCCON)cc1C ZINC000904456460 637417259 /nfs/dbraw/zinc/41/72/59/637417259.db2.gz IYNQXOAUVIJIHK-UHFFFAOYSA-N 1 0 224.304 1.374 20 10 BDCDRO CN(C)c1ccc(CNCC2([NH3+])CC2)cc1 ZINC000904451635 637417690 /nfs/dbraw/zinc/41/76/90/637417690.db2.gz XNUPPHIJRDORNB-UHFFFAOYSA-N 1 0 219.332 1.334 20 10 BDCDRO CC(C)(C)[C@H]([NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000911659546 639692350 /nfs/dbraw/zinc/69/23/50/639692350.db2.gz BTMYXQINZYNVBV-LLVKDONJSA-N 1 0 235.331 1.971 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C2CCOCC2)c1 ZINC000036308447 640471213 /nfs/dbraw/zinc/47/12/13/640471213.db2.gz LDNRCMSDNJHKPL-UHFFFAOYSA-N 1 0 237.299 1.669 20 10 BDCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccccc1O ZINC000164461051 640484579 /nfs/dbraw/zinc/48/45/79/640484579.db2.gz HSAHIEWZJYYFIA-ZJUUUORDSA-N 1 0 209.289 1.641 20 10 BDCDRO CC[C@@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000226611012 640778629 /nfs/dbraw/zinc/77/86/29/640778629.db2.gz MSFYBZIGSWIZRT-NSHDSACASA-N 1 0 227.279 1.782 20 10 BDCDRO CN1CC[N@H+](Cc2ccccc2O)CC1(C)C ZINC000211527881 641512065 /nfs/dbraw/zinc/51/20/65/641512065.db2.gz JYEVMCDYVBVYTB-UHFFFAOYSA-N 1 0 234.343 1.918 20 10 BDCDRO C[C@@H]([NH3+])C(=O)NCCCSc1nccs1 ZINC000160059135 641712940 /nfs/dbraw/zinc/71/29/40/641712940.db2.gz HFDRHWIGEKJJRT-SSDOTTSWSA-N 1 0 245.373 1.089 20 10 BDCDRO CN(Cc1cc(Cl)ccc1O)[C@@H]1CC[NH2+]C1 ZINC000070892262 643079349 /nfs/dbraw/zinc/07/93/49/643079349.db2.gz AGUXRCLMENXSKH-LLVKDONJSA-N 1 0 240.734 1.839 20 10 BDCDRO CN(C)c1ccc(CN(C)[C@@H]2CC[NH2+]C2)cc1 ZINC000071309445 643122577 /nfs/dbraw/zinc/12/25/77/643122577.db2.gz QMCQQNNGSVMTRU-CQSZACIVSA-N 1 0 233.359 1.546 20 10 BDCDRO C[NH2+][C@@H]1CCCN(Cc2cc(C)ccc2O)C1 ZINC000071409483 643142124 /nfs/dbraw/zinc/14/21/24/643142124.db2.gz LTHUUAPYABAPAB-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO OCC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000184358666 643205971 /nfs/dbraw/zinc/20/59/71/643205971.db2.gz IGYARFSIOGPTEJ-UHFFFAOYSA-N 1 0 247.338 1.874 20 10 BDCDRO O[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922323365 643969753 /nfs/dbraw/zinc/96/97/53/643969753.db2.gz LEIGUTKBZBNSMH-MQMHXKEQSA-N 1 0 247.338 1.872 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)[C@H](C)C[NH2+]1 ZINC000086466778 644467375 /nfs/dbraw/zinc/46/73/75/644467375.db2.gz WHXKGXMNJSTLIV-CHWSQXEVSA-N 1 0 247.386 1.935 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CC(N)=O ZINC000749128614 644590150 /nfs/dbraw/zinc/59/01/50/644590150.db2.gz JPOBPUJIKUPGNV-NSHDSACASA-N 1 0 249.358 1.415 20 10 BDCDRO Cc1cccc(C[N@@H+](C)CC2CN(C)C2)c1O ZINC000827124973 645073826 /nfs/dbraw/zinc/07/38/26/645073826.db2.gz GMGPDELFEKBFGE-UHFFFAOYSA-N 1 0 234.343 1.694 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CC2CN(C)C2)cc1 ZINC000827124928 645074052 /nfs/dbraw/zinc/07/40/52/645074052.db2.gz GHRBKNYMPJBQSN-UHFFFAOYSA-N 1 0 247.386 1.746 20 10 BDCDRO C[NH2+]C[C@H]1CCCN1Cc1cc(F)ccc1O ZINC000220322978 645890065 /nfs/dbraw/zinc/89/00/65/645890065.db2.gz MUEBSCHYTIBLAF-GFCCVEGCSA-N 1 0 238.306 1.715 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCC2(CO)CC2)c1 ZINC000395860563 711698222 /nfs/dbraw/zinc/69/82/22/711698222.db2.gz CRBACXARCLZYLB-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO CN1CC[C@H]1C[NH2+]Cc1ccccc1O ZINC000712608580 712437721 /nfs/dbraw/zinc/43/77/21/712437721.db2.gz NBZLBCJVUHGHJX-NSHDSACASA-N 1 0 206.289 1.186 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879129 712720673 /nfs/dbraw/zinc/72/06/73/712720673.db2.gz GTHBMDQUJHHUNB-QMMMGPOBSA-N 1 0 239.271 1.245 20 10 BDCDRO C[C@@H]([NH2+]CC1OCCO1)c1ccccc1O ZINC000381339589 710623496 /nfs/dbraw/zinc/62/34/96/710623496.db2.gz XCFDDNPEVWNIAL-SECBINFHSA-N 1 0 223.272 1.416 20 10 BDCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000381647062 710666908 /nfs/dbraw/zinc/66/69/08/710666908.db2.gz BXQSNCFUDXTYLN-UWVGGRQHSA-N 1 0 221.300 1.480 20 10 BDCDRO CC[C@H]([NH2+]Cc1cc(OC)ccc1O)[C@H](C)O ZINC000386815602 711037247 /nfs/dbraw/zinc/03/72/47/711037247.db2.gz FHTDDPKYKSSJSH-CABZTGNLSA-N 1 0 239.315 1.650 20 10 BDCDRO Cn1cc(CNCc2ccc3c(c2)CCO3)nn1 ZINC000389815085 711089845 /nfs/dbraw/zinc/08/98/45/711089845.db2.gz NPEJPPUTSHGHMZ-UHFFFAOYSA-N 1 0 244.298 1.040 20 10 BDCDRO C[C@H]([NH2+]Cc1cc(F)ccc1O)C(C)(C)O ZINC000390509507 711123019 /nfs/dbraw/zinc/12/30/19/711123019.db2.gz YVYJLOWHFOYZRY-QMMMGPOBSA-N 1 0 227.279 1.780 20 10 BDCDRO Cc1cccc(C[NH2+]CC2(N(C)C)CC2)c1O ZINC000398010205 711399668 /nfs/dbraw/zinc/39/96/68/711399668.db2.gz XWFHSNHOIHRLLW-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cnn[nH]2)c1 ZINC000398293931 711406693 /nfs/dbraw/zinc/40/66/93/711406693.db2.gz HYZLNWHLBHKOHQ-UHFFFAOYSA-N 1 0 218.260 1.109 20 10 BDCDRO OC[C@H]([NH2+]Cc1cc(Cl)ccc1O)C1CC1 ZINC000381631388 710664104 /nfs/dbraw/zinc/66/41/04/710664104.db2.gz QRKKMFUSSAGLPW-NSHDSACASA-N 1 0 241.718 1.906 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1COCCO1)CC2 ZINC000386534193 711032012 /nfs/dbraw/zinc/03/20/12/711032012.db2.gz PRSZTEAAHPQUPJ-NWDGAFQWSA-N 1 0 249.310 1.385 20 10 BDCDRO Cc1nnc([C@@H](C)[NH2+]Cc2cccc(C)c2O)[nH]1 ZINC000392361918 711144855 /nfs/dbraw/zinc/14/48/55/711144855.db2.gz CCYCOCHYUAFRDC-SECBINFHSA-N 1 0 246.314 1.978 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2CC23CC(O)C3)cc1 ZINC000724931276 711629944 /nfs/dbraw/zinc/62/99/44/711629944.db2.gz LCNYNXAPNCSFDC-SLTAFYQDSA-N 1 0 246.354 1.756 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)Cc1ccccc1O ZINC000092954830 711711533 /nfs/dbraw/zinc/71/15/33/711711533.db2.gz GJFCPOIWBQPTAI-JQWIXIFHSA-N 1 0 248.326 1.349 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCO[C@H](CCF)C1 ZINC000700591096 711999029 /nfs/dbraw/zinc/99/90/29/711999029.db2.gz PHHXCFROUCRMEX-GFCCVEGCSA-N 1 0 239.290 1.953 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@@H](CO)C1)c1ccccc1O ZINC000707641942 712176416 /nfs/dbraw/zinc/17/64/16/712176416.db2.gz YMLXWCVQSWSBQC-GARJFASQSA-N 1 0 221.300 1.814 20 10 BDCDRO CCc1cccc(C[NH2+][C@H](C)CO)c1O ZINC000709418468 712221462 /nfs/dbraw/zinc/22/14/62/712221462.db2.gz SKNWSMKEPAOYLI-SECBINFHSA-N 1 0 209.289 1.425 20 10 BDCDRO [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2O)CC1 ZINC000710933442 712266224 /nfs/dbraw/zinc/26/62/24/712266224.db2.gz VGTXFGYIJJJKDM-UMSPYCQHSA-N 1 0 248.326 1.526 20 10 BDCDRO CC[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1O ZINC000378804940 712362763 /nfs/dbraw/zinc/36/27/63/712362763.db2.gz WJKTZJGHHNNSDC-NQBHXWOUSA-N 1 0 221.300 1.956 20 10 BDCDRO CC(C)NC(=O)C[NH2+]Cc1ccccc1O ZINC000036781509 712494771 /nfs/dbraw/zinc/49/47/71/712494771.db2.gz PBJBOPWAXYCMOE-UHFFFAOYSA-N 1 0 222.288 1.006 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)c1nncn1C)c1ccccc1O ZINC000037017447 712529404 /nfs/dbraw/zinc/52/94/04/712529404.db2.gz MVVIGOBWSNPIOU-ZJUUUORDSA-N 1 0 246.314 1.933 20 10 BDCDRO CC[C@@H]([NH2+]C/C=C\CO)c1ccccc1O ZINC000717533783 712660581 /nfs/dbraw/zinc/66/05/81/712660581.db2.gz ZNXRWDODVZPDFP-FOQNGQEVSA-N 1 0 221.300 1.981 20 10 BDCDRO COc1ccc(C[NH2+][C@]23C[C@H]2COC3)cc1C ZINC000717990053 712735389 /nfs/dbraw/zinc/73/53/89/712735389.db2.gz ZRLJFENUSRJYOI-JSGCOSHPSA-N 1 0 233.311 1.882 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c1O ZINC000718144372 712748715 /nfs/dbraw/zinc/74/87/15/712748715.db2.gz DMBKVYPLGWICMD-TXEJJXNPSA-N 1 0 249.310 1.479 20 10 BDCDRO C[C@H]([NH2+]C[C@H]1C[C@H](O)C1)c1ccccc1O ZINC000720976137 712884765 /nfs/dbraw/zinc/88/47/65/712884765.db2.gz DDHSKTPLTPNWFL-DCAQKATOSA-N 1 0 221.300 1.814 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1C[C@@H](O)C1)CC2 ZINC000720991736 712886132 /nfs/dbraw/zinc/88/61/32/712886132.db2.gz IMZKOUDRTPHHKO-ADEWGFFLSA-N 1 0 233.311 1.740 20 10 BDCDRO CCC[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482169 978609994 /nfs/dbraw/zinc/60/99/94/978609994.db2.gz CDUKMSZSQXEEKX-UHFFFAOYSA-N 1 0 211.261 1.645 20 10 BDCDRO CCN(Cc1ccc(N)cc1)[C@@H]1CC[NH2+]C1 ZINC001235971413 979234532 /nfs/dbraw/zinc/23/45/32/979234532.db2.gz WAEKRQQWRDPSRE-CYBMUJFWSA-N 1 0 219.332 1.453 20 10 BDCDRO Cc1ccc(CN2CC[C@H]([NH3+])C2)c(O)c1 ZINC001236172340 979428557 /nfs/dbraw/zinc/42/85/57/979428557.db2.gz YTKIVFWZGQHLCS-NSHDSACASA-N 1 0 206.289 1.234 20 10 BDCDRO CC[C@H]([NH2+]C)C(=O)NCc1c(O)cccc1F ZINC001342538435 979823173 /nfs/dbraw/zinc/82/31/73/979823173.db2.gz YQWPZTIGHLBFLZ-JTQLQIEISA-N 1 0 240.278 1.146 20 10 BDCDRO Cc1ccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206065413 971149597 /nfs/dbraw/zinc/14/95/97/971149597.db2.gz VACNJNPFUAPNBW-ZYHUDNBSSA-N 1 0 220.316 1.480 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@H]2CO)c1O ZINC001140178137 957718556 /nfs/dbraw/zinc/71/85/56/957718556.db2.gz AFEOSYBUWKMHSQ-LBPRGKRZSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c1O ZINC001140744271 959793731 /nfs/dbraw/zinc/79/37/31/959793731.db2.gz RMHXZRALXPHDCM-DGCLKSJQSA-N 1 0 249.310 1.769 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000695753392 960425883 /nfs/dbraw/zinc/42/58/83/960425883.db2.gz JSQMRHIFWNNUJP-GFCCVEGCSA-N 1 0 246.310 1.398 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c1 ZINC001140623164 960466904 /nfs/dbraw/zinc/46/69/04/960466904.db2.gz HSHRGWBSYHNJAD-STQMWFEESA-N 1 0 232.327 1.589 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCCC(=O)CC2)c1O ZINC001140744109 960543843 /nfs/dbraw/zinc/54/38/43/960543843.db2.gz MDDVQYHYLMATPB-UHFFFAOYSA-N 1 0 249.310 1.961 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC001140744241 960544605 /nfs/dbraw/zinc/54/46/05/960544605.db2.gz QGOZAEJKZPTRFK-ZDUSSCGKSA-N 1 0 237.299 1.363 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140750980 960550657 /nfs/dbraw/zinc/55/06/57/960550657.db2.gz FSFPOKNLQWGYSK-LLVKDONJSA-N 1 0 237.299 1.627 20 10 BDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(OC)c1 ZINC001141026051 960820653 /nfs/dbraw/zinc/82/06/53/960820653.db2.gz AQLUPQKDDNZKDG-AOOOYVTPSA-N 1 0 249.310 1.861 20 10 BDCDRO C[N@@H+]1CCCN(Cc2cc(O)ccc2O)CC1 ZINC001141156199 960890348 /nfs/dbraw/zinc/89/03/48/960890348.db2.gz URKYSOZJXHJKQT-UHFFFAOYSA-N 1 0 236.315 1.235 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c1 ZINC001141156252 960890891 /nfs/dbraw/zinc/89/08/91/960890891.db2.gz IQZCOYTYWVQBOE-CMPLNLGQSA-N 1 0 241.262 1.003 20 10 BDCDRO Oc1cc(O)c(CC[NH2+][C@H]2C[C@H]3C[C@H]3C2)cc1O ZINC001167903004 961683785 /nfs/dbraw/zinc/68/37/85/961683785.db2.gz RLMVLWPGEYOZRR-URLYPYJESA-N 1 0 249.310 1.734 20 10 BDCDRO CC1([NH3+])CN(Cc2ccc(Cl)cc2O)C1 ZINC001204979771 963306721 /nfs/dbraw/zinc/30/67/21/963306721.db2.gz OPCIAGOZDGEDAO-UHFFFAOYSA-N 1 0 226.707 1.579 20 10 BDCDRO CC1([NH3+])CN(Cc2c(O)cccc2Cl)C1 ZINC001204979912 963318215 /nfs/dbraw/zinc/31/82/15/963318215.db2.gz VZUBRRSIQDYEDZ-UHFFFAOYSA-N 1 0 226.707 1.579 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)C1(CO)CC1 ZINC000696035640 963375643 /nfs/dbraw/zinc/37/56/43/963375643.db2.gz WTCWSEOIAFIWET-JTQLQIEISA-N 1 0 221.300 1.643 20 10 BDCDRO CC1([NH3+])CN(Cc2cc(Cl)c(O)cc2O)C1 ZINC001204986326 963381247 /nfs/dbraw/zinc/38/12/47/963381247.db2.gz VXBCNZXUTRWOSH-UHFFFAOYSA-N 1 0 242.706 1.284 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@](C)([NH3+])C2)c(O)c1 ZINC001204789863 963572002 /nfs/dbraw/zinc/57/20/02/963572002.db2.gz DKXBHBMLGVYZRS-AWEZNQCLSA-N 1 0 249.358 1.381 20 10 BDCDRO Cc1cc(C)c(CN2CC[C@@](C)([NH3+])C2)c(O)c1 ZINC001204792652 963595498 /nfs/dbraw/zinc/59/54/98/963595498.db2.gz XUFJWKPEFJSGPI-CQSZACIVSA-N 1 0 234.343 1.932 20 10 BDCDRO COCC1([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000697484983 964106999 /nfs/dbraw/zinc/10/69/99/964106999.db2.gz IHGVBGJGJWRFAC-UHFFFAOYSA-N 1 0 233.311 1.890 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cc(C)ccc1O)C(=O)NC ZINC000697914115 964676011 /nfs/dbraw/zinc/67/60/11/964676011.db2.gz BJFGLUIPVYHAHP-LLVKDONJSA-N 1 0 236.315 1.315 20 10 BDCDRO COCCOc1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC001164281559 965827070 /nfs/dbraw/zinc/82/70/70/965827070.db2.gz GZSFLVPCDYYFNJ-NSHDSACASA-N 1 0 236.315 1.249 20 10 BDCDRO CN1CCOc2ccc(N3CC[C@H]([NH3+])C3)cc21 ZINC001164289215 965831453 /nfs/dbraw/zinc/83/14/53/965831453.db2.gz WAYPLGOIAZABKC-JTQLQIEISA-N 1 0 233.315 1.053 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2C)c1 ZINC000699482838 965910679 /nfs/dbraw/zinc/91/06/79/965910679.db2.gz ZXPHGQAODWQMES-CMPLNLGQSA-N 1 0 221.300 1.825 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2COC[C@H]2C)c1O ZINC000699792031 966094747 /nfs/dbraw/zinc/09/47/47/966094747.db2.gz VBQQRQYFFYCYBY-KOLCDFICSA-N 1 0 237.299 1.525 20 10 BDCDRO Oc1ccc(F)c(F)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236296473 966356828 /nfs/dbraw/zinc/35/68/28/966356828.db2.gz QXZWHCCBEFIEMU-XVKPBYJWSA-N 1 0 240.253 1.074 20 10 BDCDRO COC(=O)CC1C[NH+](Cc2ccccc2O)C1 ZINC001203556678 966665847 /nfs/dbraw/zinc/66/58/47/966665847.db2.gz WBXYPHKJNMNKIJ-UHFFFAOYSA-N 1 0 235.283 1.387 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001203550178 966675511 /nfs/dbraw/zinc/67/55/11/966675511.db2.gz KKYUKIYQHCOWJI-JQWIXIFHSA-N 1 0 225.263 1.297 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCC[C@H]1O ZINC001203550508 966680156 /nfs/dbraw/zinc/68/01/56/966680156.db2.gz WPMMWANXWFXZHM-DGCLKSJQSA-N 1 0 235.327 1.985 20 10 BDCDRO CCOC(=O)C1C[NH+](Cc2ccccc2O)C1 ZINC001203557076 966691434 /nfs/dbraw/zinc/69/14/34/966691434.db2.gz YZESPCJPSDXNSH-UHFFFAOYSA-N 1 0 235.283 1.387 20 10 BDCDRO COc1cccc(C[N@H+](C)C2(C)COC2)c1O ZINC001203596495 966701541 /nfs/dbraw/zinc/70/15/41/966701541.db2.gz DPUPXOWFSCQGJG-UHFFFAOYSA-N 1 0 237.299 1.622 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H]3COC[C@@H]3C2)cc1O ZINC001203879213 966806039 /nfs/dbraw/zinc/80/60/39/966806039.db2.gz GYXMVUNOPATOFI-RYUDHWBXSA-N 1 0 249.310 1.566 20 10 BDCDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203880983 966809362 /nfs/dbraw/zinc/80/93/62/966809362.db2.gz KPFBQBCMVXYUPC-NSHDSACASA-N 1 0 235.283 1.509 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CC2COC2)cc1 ZINC001203937799 966824657 /nfs/dbraw/zinc/82/46/57/966824657.db2.gz SKMJJNBGDCUCDF-UHFFFAOYSA-N 1 0 234.343 1.831 20 10 BDCDRO CN(C)c1ccc(CN2CC[N@@H+]3CC[C@@H]3C2)cc1 ZINC001203937444 966825338 /nfs/dbraw/zinc/82/53/38/966825338.db2.gz YXIZPRJEKJIZCB-OAHLLOKOSA-N 1 0 245.370 1.643 20 10 BDCDRO CN(C)c1ccc(CN2CC(C)([NH+](C)C)C2)cc1 ZINC001203937860 966826016 /nfs/dbraw/zinc/82/60/16/966826016.db2.gz VZMLAWIHOVYGJW-UHFFFAOYSA-N 1 0 247.386 1.889 20 10 BDCDRO CC[N@H+](CCN(C)C)Cc1ccc(O)cc1O ZINC001204272228 966952443 /nfs/dbraw/zinc/95/24/43/966952443.db2.gz KFRNIFUBRLFIBF-UHFFFAOYSA-N 1 0 238.331 1.481 20 10 BDCDRO COc1cc(C[N@H+](C)CC2CC2)cc(O)c1O ZINC001204342887 966973236 /nfs/dbraw/zinc/97/32/36/966973236.db2.gz NXTVYWCTCYAKCP-UHFFFAOYSA-N 1 0 237.299 1.948 20 10 BDCDRO COc1cc(C[N@@H+]2CC[C@@H](C)C2)cc(O)c1O ZINC001204344071 966976005 /nfs/dbraw/zinc/97/60/05/966976005.db2.gz UYLPWTSEIAUTRR-SECBINFHSA-N 1 0 237.299 1.948 20 10 BDCDRO Cn1ncc2c1C[N@H+](Cc1ccccc1O)CC2 ZINC001203558655 967020974 /nfs/dbraw/zinc/02/09/74/967020974.db2.gz SLRGSWQYEFICDK-UHFFFAOYSA-N 1 0 243.310 1.684 20 10 BDCDRO Cc1ccc(C)c(CN2C[C@@H](F)[C@@H]([NH3+])C2)c1O ZINC001204822523 967183547 /nfs/dbraw/zinc/18/35/47/967183547.db2.gz BGSADHGELICPQM-NEPJUHHUSA-N 1 0 238.306 1.490 20 10 BDCDRO CC1([NH3+])CN(Cc2c(O)cccc2F)C1 ZINC001204974108 967269342 /nfs/dbraw/zinc/26/93/42/967269342.db2.gz PHCTWHWKTXOCTQ-UHFFFAOYSA-N 1 0 210.252 1.064 20 10 BDCDRO Cn1ccc2c1cc[nH+]c2-c1ccc(=O)n(C)c1 ZINC001240328402 967545951 /nfs/dbraw/zinc/54/59/51/967545951.db2.gz UCYHXGFJEKMVRE-UHFFFAOYSA-N 1 0 239.278 1.939 20 10 BDCDRO C[C@H]1CC[C@H](CN)[N@H+](Cc2ccccc2O)C1 ZINC001205807183 967829288 /nfs/dbraw/zinc/82/92/88/967829288.db2.gz YKTFJVSHSIQQKS-WCQYABFASA-N 1 0 234.343 1.951 20 10 BDCDRO Cn1c(=O)cnc2ccc(C3=CCC[NH2+]C3)cc21 ZINC001240664149 968630980 /nfs/dbraw/zinc/63/09/80/968630980.db2.gz IDIIRHIODHBHRG-UHFFFAOYSA-N 1 0 241.294 1.310 20 10 BDCDRO [NH3+]Cc1ccnc(NCc2ccc(O)c(O)c2)c1 ZINC001169993837 969965550 /nfs/dbraw/zinc/96/55/50/969965550.db2.gz VFHBRAFYRBAJGN-UHFFFAOYSA-N 1 0 245.282 1.564 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H](C)CC(N)=O)c1O ZINC000691493319 970032386 /nfs/dbraw/zinc/03/23/86/970032386.db2.gz JIBJZJSDJGUQKR-VIFPVBQESA-N 1 0 236.315 1.308 20 10 BDCDRO Cc1cc(C)c(C[NH2+][C@@H]2CCN(C)C2)c(O)c1 ZINC001255420108 970144151 /nfs/dbraw/zinc/14/41/51/970144151.db2.gz KOPVTXUYNONAIT-GFCCVEGCSA-N 1 0 234.343 1.803 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2O)CO1 ZINC000401968299 970754565 /nfs/dbraw/zinc/75/45/65/970754565.db2.gz IBLUXNBKZIKOMC-MWLCHTKSSA-N 1 0 207.273 1.659 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CO[C@H](C)C2)c1 ZINC000402023692 970758560 /nfs/dbraw/zinc/75/85/60/970758560.db2.gz GDNVGJUMKWBRPY-KOLCDFICSA-N 1 0 237.299 1.668 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503979 972851101 /nfs/dbraw/zinc/85/11/01/972851101.db2.gz GWRVIJNTARVNJX-VIFPVBQESA-N 1 0 239.271 1.024 20 10 BDCDRO COC(=O)c1cccc(O)c1Nc1cc[nH+]cc1 ZINC001173883720 975951547 /nfs/dbraw/zinc/95/15/47/975951547.db2.gz XVDQTKQKMKKUGS-UHFFFAOYSA-N 1 0 244.250 1.739 20 10 BDCDRO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccc(N)cc1 ZINC001334754800 976624314 /nfs/dbraw/zinc/62/43/14/976624314.db2.gz RQPQKKMVWMTCRB-NWDGAFQWSA-N 1 0 233.359 1.793 20 10 BDCDRO Nc1ccc(CN2C[C@@H]3CCC[C@]3([NH3+])C2)cc1 ZINC001334754804 976625966 /nfs/dbraw/zinc/62/59/66/976625966.db2.gz RSCDCFAMMBWOFY-JSGCOSHPSA-N 1 0 231.343 1.582 20 10 BDCDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001335288429 976930274 /nfs/dbraw/zinc/93/02/74/976930274.db2.gz FVEKJEDXLVGCRC-DGCLKSJQSA-N 1 0 234.343 1.862 20 10 BDCDRO C[C@@H](NC(=O)C1(C)C[NH2+]C1)c1ccccc1O ZINC001335788318 977287055 /nfs/dbraw/zinc/28/70/55/977287055.db2.gz KKIBXPOSCUJMGL-SECBINFHSA-N 1 0 234.299 1.179 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H]3C[C@]32C(N)=O)c(O)c1 ZINC001277569169 977754466 /nfs/dbraw/zinc/75/44/66/977754466.db2.gz WOAYPBINEQDXGM-SMDDNHRTSA-N 1 0 246.310 1.150 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC001231846011 977762314 /nfs/dbraw/zinc/76/23/14/977762314.db2.gz XTEHLXFPXKJXIJ-GFCCVEGCSA-N 1 0 235.327 1.823 20 10 BDCDRO Cc1cc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001231849967 977766485 /nfs/dbraw/zinc/76/64/85/977766485.db2.gz YAJBIYCTGLIBPT-STQMWFEESA-N 1 0 246.354 1.897 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CC3(CN(C)C3)C2)c(O)c1 ZINC001231850501 977771239 /nfs/dbraw/zinc/77/12/39/977771239.db2.gz QZMGYIPGHRGVSX-UHFFFAOYSA-N 1 0 246.354 1.756 20 10 BDCDRO CC1(C)C[NH+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482606 978610574 /nfs/dbraw/zinc/61/05/74/978610574.db2.gz USMZVPXGYNACAB-UHFFFAOYSA-N 1 0 223.272 1.645 20 10 BDCDRO CC[N@H+](Cc1cc(O)c(O)cc1O)C1CC1 ZINC001233482530 978610728 /nfs/dbraw/zinc/61/07/28/978610728.db2.gz REHWQWQFSYIFQJ-UHFFFAOYSA-N 1 0 223.272 1.788 20 10 BDCDRO C[C@H]1COCCN1Cc1cc(O)c(O)cc1O ZINC001233483443 978612027 /nfs/dbraw/zinc/61/20/27/978612027.db2.gz ZESSAEJWEOKREY-QMMMGPOBSA-N 1 0 239.271 1.024 20 10 BDCDRO Oc1cc(O)c(C[NH+]2C3CCC2CC3)cc1O ZINC001233485908 978613681 /nfs/dbraw/zinc/61/36/81/978613681.db2.gz PTAATXQMLXMJLA-UHFFFAOYSA-N 1 0 235.283 1.930 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC001338445669 978683844 /nfs/dbraw/zinc/68/38/44/978683844.db2.gz GXHNAIOUXJWSDF-ZDUSSCGKSA-N 1 0 249.310 1.358 20 10 BDCDRO [NH3+][C@H]1C[C@H](F)CN(Cc2cccc(F)c2O)C1 ZINC001206412572 978817080 /nfs/dbraw/zinc/81/70/80/978817080.db2.gz BADJXFHDBVLLTJ-UWVGGRQHSA-N 1 0 242.269 1.402 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCC[C@@H]3C2)c(O)c1 ZINC001204280441 978943229 /nfs/dbraw/zinc/94/32/29/978943229.db2.gz KFINQBIUAPUWIO-BXUZGUMPSA-N 1 0 249.310 1.709 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC001235072918 978969683 /nfs/dbraw/zinc/96/96/83/978969683.db2.gz NMFGZBLWQSESMZ-HUUCEWRRSA-N 1 0 245.370 1.689 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(F)ccc1O)C2 ZINC001235154532 978983569 /nfs/dbraw/zinc/98/35/69/978983569.db2.gz GFHQYVXUYSMUKO-GXFFZTMASA-N 1 0 236.290 1.454 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1cc(Cl)ccc1O)C2 ZINC001236015619 979301692 /nfs/dbraw/zinc/30/16/92/979301692.db2.gz NEGDVYKLARXSJU-BXKDBHETSA-N 1 0 238.718 1.579 20 10 BDCDRO [NH3+][C@]12C[C@H]1CN(Cc1cc(F)c(F)cc1O)C2 ZINC001236025795 979321720 /nfs/dbraw/zinc/32/17/20/979321720.db2.gz HRRGZZIAKFQRGU-UFBFGSQYSA-N 1 0 240.253 1.203 20 10 BDCDRO CCN(CC[NH2+]C)Cc1ccc(N)cc1 ZINC001236142298 979409775 /nfs/dbraw/zinc/40/97/75/979409775.db2.gz CAWRHPUEVSQVIY-UHFFFAOYSA-N 1 0 207.321 1.310 20 10 BDCDRO Nc1ccc(CN(C2CC2)[C@H]2CCC[NH2+]C2)cc1 ZINC001236240974 979464880 /nfs/dbraw/zinc/46/48/80/979464880.db2.gz NZXNNJSBBKVVFG-HNNXBMFYSA-N 1 0 245.370 1.985 20 10 BDCDRO COc1cccc(O)c1C[N@H+]1CC[C@H](OC)C1 ZINC001341568513 979473946 /nfs/dbraw/zinc/47/39/46/979473946.db2.gz YYGNHYLFMHKRPH-JTQLQIEISA-N 1 0 237.299 1.622 20 10 BDCDRO COc1cc(O)c(C[N@H+](C)CCO)cc1Cl ZINC001236255321 979475176 /nfs/dbraw/zinc/47/51/76/979475176.db2.gz BBKFIUMOYSCEOQ-UHFFFAOYSA-N 1 0 245.706 1.478 20 10 BDCDRO COc1ccc(C[N@H+](C)CCO)c([O-])c1Cl ZINC001236257273 979475582 /nfs/dbraw/zinc/47/55/82/979475582.db2.gz YKUUDIHLKFCGCM-UHFFFAOYSA-N 1 0 245.706 1.478 20 10 BDCDRO Cc1cc(F)cc(C[N@H+](C)CCO)c1O ZINC001236255497 979479353 /nfs/dbraw/zinc/47/93/53/979479353.db2.gz GHQPKQVLAYDTNA-UHFFFAOYSA-N 1 0 213.252 1.264 20 10 BDCDRO CCCN(Cc1ccc(N)cc1)[C@H]1CC[NH2+]C1 ZINC001236325079 979537745 /nfs/dbraw/zinc/53/77/45/979537745.db2.gz YORSDGPKSFXHCR-AWEZNQCLSA-N 1 0 233.359 1.843 20 10 BDCDRO CCc1ccc(C[N@H+](C)CCN(C)C)c(O)c1 ZINC001236783886 979731607 /nfs/dbraw/zinc/73/16/07/979731607.db2.gz PJKLPBWDKGXNCZ-UHFFFAOYSA-N 1 0 236.359 1.948 20 10 BDCDRO CCc1ccc(C[N@H+](C)C2COC2)c(O)c1 ZINC001236795353 979738436 /nfs/dbraw/zinc/73/84/36/979738436.db2.gz UUJKCCAMVMQVEY-UHFFFAOYSA-N 1 0 221.300 1.785 20 10 BDCDRO COc1cc(C)c(C[NH+]2CCC2)c(O)c1 ZINC001236819726 979746385 /nfs/dbraw/zinc/74/63/85/979746385.db2.gz ZTUPHKQDWWNVBY-UHFFFAOYSA-N 1 0 207.273 1.915 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(O)c(C)c1O ZINC001236868635 979771279 /nfs/dbraw/zinc/77/12/79/979771279.db2.gz OOQOFQHBVUFVST-NSHDSACASA-N 1 0 238.331 1.575 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CCCN(C)C(=O)C1 ZINC001237490197 979915533 /nfs/dbraw/zinc/91/55/33/979915533.db2.gz RMRTXHNLGRCDJZ-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2CCO[C@@H]2C1 ZINC001237488124 979915845 /nfs/dbraw/zinc/91/58/45/979915845.db2.gz RJFHFLCTUSRISD-SMDDNHRTSA-N 1 0 233.311 1.921 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CC(CO)C1 ZINC001237490704 979918763 /nfs/dbraw/zinc/91/87/63/979918763.db2.gz ZUYPZQFARGAFLR-UHFFFAOYSA-N 1 0 207.273 1.125 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]2CCCCC[NH2+]2)cc1 ZINC001343474698 980121824 /nfs/dbraw/zinc/12/18/24/980121824.db2.gz XRIQTHWCCKXYOG-CYBMUJFWSA-N 1 0 247.342 1.417 20 10 BDCDRO Cc1cc(F)cc(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC001238055732 980131982 /nfs/dbraw/zinc/13/19/82/980131982.db2.gz CPMYPYQMHXFDSJ-BXKDBHETSA-N 1 0 239.290 1.795 20 10 BDCDRO Cc1cc(F)cc(C[NH+]2CC(C)(CO)C2)c1O ZINC001238058364 980132408 /nfs/dbraw/zinc/13/24/08/980132408.db2.gz RDBNECHAALVMRD-UHFFFAOYSA-N 1 0 239.290 1.654 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N)cc1 ZINC001352791494 982574916 /nfs/dbraw/zinc/57/49/16/982574916.db2.gz WIZATPSMJFHLAH-JOYOIKCWSA-N 1 0 205.305 1.109 20 10 BDCDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001356237805 983589033 /nfs/dbraw/zinc/58/90/33/983589033.db2.gz AXPQFUIMNSBWCN-ZWNOBZJWSA-N 1 0 249.358 1.649 20 10 BDCDRO Cc1ccc(O)c(CN2CC3(C2)CC[N@@H+](C)C3)c1 ZINC001275311799 984532806 /nfs/dbraw/zinc/53/28/06/984532806.db2.gz OIJYAJHDAGPCQI-UHFFFAOYSA-N 1 0 246.354 1.838 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CC3(CCN3C)C2)c1O ZINC001275965317 984746360 /nfs/dbraw/zinc/74/63/60/984746360.db2.gz AVECKMCZZNUYSL-UHFFFAOYSA-N 1 0 246.354 1.899 20 10 BDCDRO CCc1cccc(CNC2(C)C[NH2+]C2)c1O ZINC001578266772 984909416 /nfs/dbraw/zinc/90/94/16/984909416.db2.gz QELBRBGSSFKYIF-UHFFFAOYSA-N 1 0 220.316 1.406 20 10 BDCDRO CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1O ZINC000692021571 985201916 /nfs/dbraw/zinc/20/19/16/985201916.db2.gz NBPSQGSMVDRXKS-SNVBAGLBSA-N 1 0 222.288 1.006 20 10 BDCDRO CCc1cccc(C[NH+]2CCN(C)CC2)c1O ZINC000692107084 985410480 /nfs/dbraw/zinc/41/04/80/985410480.db2.gz BWRNHDBQHOLVSF-UHFFFAOYSA-N 1 0 234.343 1.702 20 10 BDCDRO C[C@H]([NH2+]CCC(=O)N(C)C)c1ccccc1O ZINC000037751511 985842496 /nfs/dbraw/zinc/84/24/96/985842496.db2.gz ZCSNYMUAZPIYKV-JTQLQIEISA-N 1 0 236.315 1.521 20 10 BDCDRO Nc1ccc(CNc2nccnc2C[NH3+])cc1 ZINC001580358801 986793665 /nfs/dbraw/zinc/79/36/65/986793665.db2.gz XRGANJNTALBREM-UHFFFAOYSA-N 1 0 229.287 1.130 20 10 BDCDRO [NH3+][C@H]1C[C@H](C[NH2+]Cc2cc(F)c(F)cc2[O-])C1 ZINC001580427848 986844221 /nfs/dbraw/zinc/84/42/21/986844221.db2.gz VWWZAIXQQVIFMC-XWEPSHTISA-N 1 0 242.269 1.497 20 10 BDCDRO C[C@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001473429588 987433555 /nfs/dbraw/zinc/43/35/55/987433555.db2.gz XIMMUXNIYOWPNN-JSGCOSHPSA-N 1 0 248.370 1.955 20 10 BDCDRO C[C@H]1CC[C@H](NCc2ccc(O)cc2O)C[NH2+]1 ZINC001246239593 987639476 /nfs/dbraw/zinc/63/94/76/987639476.db2.gz KEMZZSIDPVQTKE-ONGXEEELSA-N 1 0 236.315 1.328 20 10 BDCDRO COC(=O)[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC001116771992 987705227 /nfs/dbraw/zinc/70/52/27/987705227.db2.gz XUMFJJQFVQDQKZ-VXGBXAGGSA-N 1 0 249.310 1.824 20 10 BDCDRO CC(C)C[NH2+]CC(=O)Nc1ccc(N)cc1 ZINC001118256544 988156738 /nfs/dbraw/zinc/15/67/38/988156738.db2.gz VUNRVCCXNFINTF-UHFFFAOYSA-N 1 0 221.304 1.453 20 10 BDCDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccc(N)cc1 ZINC001120370969 989638900 /nfs/dbraw/zinc/63/89/00/989638900.db2.gz LIGJYUQLFQAKGW-GFCCVEGCSA-N 1 0 222.332 1.765 20 10 BDCDRO CN(C(=O)C1=CCC[NH2+]CC1)c1cccnc1 ZINC001521482195 989715308 /nfs/dbraw/zinc/71/53/08/989715308.db2.gz IDQVKTGDIUCGPO-UHFFFAOYSA-N 1 0 231.299 1.354 20 10 BDCDRO O=C(NCc1ccccc1O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000828015577 990816462 /nfs/dbraw/zinc/81/64/62/990816462.db2.gz JCKLQKFNEFOWKB-RISCZKNCSA-N 1 0 246.310 1.008 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCCC[C@H]2C(N)=O)c1 ZINC000162085002 990947226 /nfs/dbraw/zinc/94/72/26/990947226.db2.gz RVHCLRGPQLPCAZ-LBPRGKRZSA-N 1 0 248.326 1.540 20 10 BDCDRO CCOCC[N@H+](C)Cc1ccc(N)cc1 ZINC000035360488 991124424 /nfs/dbraw/zinc/12/44/24/991124424.db2.gz KXMYNFCXVDMULW-UHFFFAOYSA-N 1 0 208.305 1.737 20 10 BDCDRO CCC[N@H+](CC(=O)NC)Cc1ccc(N)cc1 ZINC000035364776 991133562 /nfs/dbraw/zinc/13/35/62/991133562.db2.gz LWRVMNWHBRXSQD-UHFFFAOYSA-N 1 0 235.331 1.227 20 10 BDCDRO C[C@H]1C[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC001140055441 991507068 /nfs/dbraw/zinc/50/70/68/991507068.db2.gz YOSGWOWLGOQEBC-JOYOIKCWSA-N 1 0 239.290 1.877 20 10 BDCDRO C[NH+](C)Cc1ccc(N2CCC(O)CC2)cc1 ZINC001140281496 991603541 /nfs/dbraw/zinc/60/35/41/991603541.db2.gz HCUPJCLAMGHUOK-UHFFFAOYSA-N 1 0 234.343 1.709 20 10 BDCDRO CCc1cccc(C[NH2+]CCN(C)OC)c1O ZINC001560991012 991681739 /nfs/dbraw/zinc/68/17/39/991681739.db2.gz ZSRGDLGGGINZBE-UHFFFAOYSA-N 1 0 238.331 1.537 20 10 BDCDRO CC(C)[C@H](C[NH2+]Cc1cc(F)ccc1O)ON ZINC001575433240 993044317 /nfs/dbraw/zinc/04/43/17/993044317.db2.gz MJFRTALIISZTKW-LBPRGKRZSA-N 1 0 242.294 1.536 20 10 BDCDRO Cc1cccc(C[N@@H+](C)[C@H]2CCN(C)C2)c1O ZINC000379764460 993273198 /nfs/dbraw/zinc/27/31/98/993273198.db2.gz GVYNBVLQCFNCSC-ZDUSSCGKSA-N 1 0 234.343 1.837 20 10 BDCDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(N)cc3)CC[C@@H]21 ZINC001336285806 994998803 /nfs/dbraw/zinc/99/88/03/994998803.db2.gz MOFDQYJMZQUGHS-ZFWWWQNUSA-N 1 0 245.370 1.795 20 10 BDCDRO C[N@@H+]1CC[C@H]2CN(Cc3ccc(N)cc3)CC[C@H]21 ZINC001336285553 995002101 /nfs/dbraw/zinc/00/21/01/995002101.db2.gz MOFDQYJMZQUGHS-DZGCQCFKSA-N 1 0 245.370 1.795 20 10 BDCDRO Cc1cc(O)c(C[N@@H+](C)[C@H](C)CO)cc1C ZINC000289473931 178194746 /nfs/dbraw/zinc/19/47/46/178194746.db2.gz PUNBPTHWLOEYEX-LLVKDONJSA-N 1 0 223.316 1.822 20 10 BDCDRO Cc1cc(O)c(C[NH2+]Cc2cnnn2C)cc1C ZINC000288354714 178197106 /nfs/dbraw/zinc/19/71/06/178197106.db2.gz CLPWDMWIXVBLMJ-UHFFFAOYSA-N 1 0 246.314 1.427 20 10 BDCDRO CN(C)c1ccc(C[N@H+](CCO)C2CC2)cc1 ZINC000133103849 398341379 /nfs/dbraw/zinc/34/13/79/398341379.db2.gz BAUKKRUFJKUESU-UHFFFAOYSA-N 1 0 234.343 1.709 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CCCCNC1=O)c1ccccc1O ZINC000036977395 343329401 /nfs/dbraw/zinc/32/94/01/343329401.db2.gz OQROCBIXQYSZNS-ZYHUDNBSSA-N 1 0 248.326 1.712 20 10 BDCDRO CC[C@H]([NH2+]C[C@H](C)O)c1ccccc1O ZINC000035601761 343298889 /nfs/dbraw/zinc/29/88/89/343298889.db2.gz GLPQHFJETHNBNS-ONGXEEELSA-N 1 0 209.289 1.814 20 10 BDCDRO C[C@H](CC[NH+](C)C)NC(=O)Cc1ccc(N)cc1 ZINC000049551418 343601834 /nfs/dbraw/zinc/60/18/34/343601834.db2.gz TTZAWGDEGZMWKG-LLVKDONJSA-N 1 0 249.358 1.268 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000092764289 343784916 /nfs/dbraw/zinc/78/49/16/343784916.db2.gz XYEWNBROQCPQAN-SNVBAGLBSA-N 1 0 237.299 1.215 20 10 BDCDRO Cc1cccc(C[NH+]2CCOCC2)c1O ZINC000032237037 179080132 /nfs/dbraw/zinc/08/01/32/179080132.db2.gz LHZHGLFYRJEUPF-UHFFFAOYSA-N 1 0 207.273 1.533 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@H]([C@H](C)O)C2)c1O ZINC000272568235 179081462 /nfs/dbraw/zinc/08/14/62/179081462.db2.gz VHBPEGLBXDRAEN-RYUDHWBXSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[NH2+]CCc2cnn(C)c2)c1O ZINC000124721333 179091680 /nfs/dbraw/zinc/09/16/80/179091680.db2.gz HQMHKIRHDWBHPX-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)CCCO)c1O ZINC000162871125 179096248 /nfs/dbraw/zinc/09/62/48/179096248.db2.gz CNYMVTRAUMSNSG-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO CC1(C)C[N@H+](Cc2ccccc2O)C[C@@H]1O ZINC000280482207 351846687 /nfs/dbraw/zinc/84/66/87/351846687.db2.gz OCUNZFHKZINSDQ-LBPRGKRZSA-N 1 0 221.300 1.595 20 10 BDCDRO CC[N@H+](Cc1cc(C)ccc1O)[C@@H]1CCNC1=O ZINC000281894265 351914943 /nfs/dbraw/zinc/91/49/43/351914943.db2.gz YOBBMOJXIACCRI-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO [NH3+][C@H]1CC=C(C(=O)N2CCc3ccncc32)C1 ZINC000638314167 352139170 /nfs/dbraw/zinc/13/91/70/352139170.db2.gz AEEGXTZCKMMIKJ-NSHDSACASA-N 1 0 229.283 1.018 20 10 BDCDRO OC[C@@]1(F)CCC[N@H+](Cc2ccccc2O)C1 ZINC000289701960 183134965 /nfs/dbraw/zinc/13/49/65/183134965.db2.gz GBVGPCAJCKXSLW-CYBMUJFWSA-N 1 0 239.290 1.689 20 10 BDCDRO Oc1ccc(C[NH2+]C2CCOCC2)c(O)c1 ZINC000036319304 183270728 /nfs/dbraw/zinc/27/07/28/183270728.db2.gz SJOVJFAXPUSOLI-UHFFFAOYSA-N 1 0 223.272 1.366 20 10 BDCDRO Oc1ccc(F)cc1C[NH+]1CC2(C1)CCOC2 ZINC000293933996 183275770 /nfs/dbraw/zinc/27/57/70/183275770.db2.gz HQVVTPIXNJVJTD-UHFFFAOYSA-N 1 0 237.274 1.754 20 10 BDCDRO CCCN(Cc1ccccc1O)C(=O)CC[NH3+] ZINC000236731849 169177785 /nfs/dbraw/zinc/17/77/85/169177785.db2.gz GGQFZUDPZUGBMO-UHFFFAOYSA-N 1 0 236.315 1.480 20 10 BDCDRO Oc1cccc(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC000128086932 183292495 /nfs/dbraw/zinc/29/24/95/183292495.db2.gz GZXNRAUIGUCETK-MRVPVSSYSA-N 1 0 227.691 1.612 20 10 BDCDRO Oc1ccccc1C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000375289622 183302615 /nfs/dbraw/zinc/30/26/15/183302615.db2.gz XEWGMMQNRVEDAC-LBPRGKRZSA-N 1 0 219.284 1.349 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCOC1 ZINC000037738031 183303732 /nfs/dbraw/zinc/30/37/32/183303732.db2.gz AUFJXIPUDALONE-JTQLQIEISA-N 1 0 207.273 1.518 20 10 BDCDRO CCCN(Cc1ccccc1O)[C@@H]1CC[NH2+]C1 ZINC000071314716 169178625 /nfs/dbraw/zinc/17/86/25/169178625.db2.gz CNQSVLXFNOKJTI-CYBMUJFWSA-N 1 0 234.343 1.966 20 10 BDCDRO CCCOc1ccc(C[N@H+](C)CCO)c(O)c1 ZINC000270992230 169318667 /nfs/dbraw/zinc/31/86/67/169318667.db2.gz IMURXSSDIUEHHM-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)CCCO)c1 ZINC000087358807 383827727 /nfs/dbraw/zinc/82/77/27/383827727.db2.gz UPHVBBLCZFWPJF-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296224275 383979411 /nfs/dbraw/zinc/97/94/11/383979411.db2.gz ZXIAQPFFUPNMQR-QWRGUYRKSA-N 1 0 221.300 1.740 20 10 BDCDRO C[C@H]([NH3+])CCC(=O)N(C)Cc1ccccc1O ZINC000070316960 384099487 /nfs/dbraw/zinc/09/94/87/384099487.db2.gz VVYRBYGKLLBAIU-JTQLQIEISA-N 1 0 236.315 1.478 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000132474127 384231936 /nfs/dbraw/zinc/23/19/36/384231936.db2.gz IBXBRVKJTCOOEO-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO C[NH+](C)CCCCNC(=O)Cc1ccc(N)cc1 ZINC000045660861 384403678 /nfs/dbraw/zinc/40/36/78/384403678.db2.gz HLDMRBPCNKENHU-UHFFFAOYSA-N 1 0 249.358 1.269 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@H](O)C(F)(F)F ZINC000121592252 384427568 /nfs/dbraw/zinc/42/75/68/384427568.db2.gz QNVYIBMKUCFNBR-JTQLQIEISA-N 1 0 249.232 1.747 20 10 BDCDRO C[C@H](CCO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000097439051 384520855 /nfs/dbraw/zinc/52/08/55/384520855.db2.gz FWEZDGHJGMEWJX-GFCCVEGCSA-N 1 0 236.359 1.861 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000020196167 384595336 /nfs/dbraw/zinc/59/53/36/384595336.db2.gz GWSXSDQVXBPGMQ-SNVBAGLBSA-N 1 0 225.288 1.261 20 10 BDCDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000124813092 384678561 /nfs/dbraw/zinc/67/85/61/384678561.db2.gz IHYLDVGOLPNJQP-LBPRGKRZSA-N 1 0 249.310 1.838 20 10 BDCDRO CC(C)(O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000082687385 384703472 /nfs/dbraw/zinc/70/34/72/384703472.db2.gz MUVTUJZJUXLZSJ-UHFFFAOYSA-N 1 0 229.707 1.906 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C[C@H](C)CO)c1 ZINC000083216066 384752487 /nfs/dbraw/zinc/75/24/87/384752487.db2.gz XZLJDFQLWLQPHY-WDEREUQCSA-N 1 0 223.316 1.980 20 10 BDCDRO COC[C@H](CO)[NH2+][C@H](C)c1cc(F)ccc1O ZINC000234837982 384883383 /nfs/dbraw/zinc/88/33/83/384883383.db2.gz WHBSTPBZUBAACS-SCZZXKLOSA-N 1 0 243.278 1.189 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)C[S@@](C)=O)c1O ZINC000164410288 384981425 /nfs/dbraw/zinc/98/14/25/384981425.db2.gz XZLIAZLAGMVDIL-QFYYESIMSA-N 1 0 241.356 1.557 20 10 BDCDRO C[C@@H]([NH2+]CCCO)c1cc(F)ccc1O ZINC000087111338 385074546 /nfs/dbraw/zinc/07/45/46/385074546.db2.gz PFBZQRCQDKDGDM-MRVPVSSYSA-N 1 0 213.252 1.564 20 10 BDCDRO CN(C(=O)C[N@H+](C)Cc1ccccc1O)C1CC1 ZINC000109771166 385190137 /nfs/dbraw/zinc/19/01/37/385190137.db2.gz SRDLSMMVPDLWNN-UHFFFAOYSA-N 1 0 248.326 1.445 20 10 BDCDRO CCOc1cccc(C[N@H+](C)C[C@@H](C)O)c1O ZINC000130717896 385279138 /nfs/dbraw/zinc/27/91/38/385279138.db2.gz VLALTXAQQJZBGT-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(N)cc1 ZINC000294873983 385285299 /nfs/dbraw/zinc/28/52/99/385285299.db2.gz CQOFXJYUUJXALP-YUMQZZPRSA-N 1 0 207.277 1.191 20 10 BDCDRO COC(=O)[C@@H](C)C[N@H+](C)Cc1ccccc1O ZINC000179561075 385474511 /nfs/dbraw/zinc/47/45/11/385474511.db2.gz HUTHAPJQIZLUPV-JTQLQIEISA-N 1 0 237.299 1.633 20 10 BDCDRO CN(C)c1ccc(CN(C)C(=O)C[NH+](C)C)cc1 ZINC000171250560 385475330 /nfs/dbraw/zinc/47/53/30/385475330.db2.gz XNUGUFTXBYVUCG-UHFFFAOYSA-N 1 0 249.358 1.273 20 10 BDCDRO C[C@@]1(O)CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180244727 385516160 /nfs/dbraw/zinc/51/61/60/385516160.db2.gz YXVWMSDCOKTGFJ-GFCCVEGCSA-N 1 0 225.263 1.488 20 10 BDCDRO OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccccc1O ZINC000364842825 385525256 /nfs/dbraw/zinc/52/52/56/385525256.db2.gz KBRDRUIPQSBAMV-MNOVXSKESA-N 1 0 225.263 1.297 20 10 BDCDRO CC[N@H+](CCCO)Cc1ccccc1O ZINC000272263878 385889217 /nfs/dbraw/zinc/88/92/17/385889217.db2.gz KLPKMGIWQQCBTA-UHFFFAOYSA-N 1 0 209.289 1.597 20 10 BDCDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccccc2O)C1 ZINC000235382464 386161958 /nfs/dbraw/zinc/16/19/58/386161958.db2.gz KOOVJLXEHONQIN-CYBMUJFWSA-N 1 0 234.299 1.090 20 10 BDCDRO C[C@H](CO)[N@H+](C)Cc1c(O)cccc1Cl ZINC000289394794 386295653 /nfs/dbraw/zinc/29/56/53/386295653.db2.gz FNMMVDJSSVRNAC-MRVPVSSYSA-N 1 0 229.707 1.858 20 10 BDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@@H](C)CO)c1 ZINC000289408165 386298701 /nfs/dbraw/zinc/29/87/01/386298701.db2.gz HMRVSUMVJUCBLK-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)[C@H](C)CO ZINC000226611398 386344380 /nfs/dbraw/zinc/34/43/80/386344380.db2.gz SEQZRDZYCLQGEL-RKDXNWHRSA-N 1 0 227.279 1.638 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCC[C@@H](C)O)c1 ZINC000227952030 386523968 /nfs/dbraw/zinc/52/39/68/386523968.db2.gz NNIQNFQNPIBZAY-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO CC[C@@H](CO)[N@H+](C)Cc1cc(C)ccc1O ZINC000295074398 386692397 /nfs/dbraw/zinc/69/23/97/386692397.db2.gz HSBJFKIFYCWBOK-LBPRGKRZSA-N 1 0 223.316 1.903 20 10 BDCDRO CO[C@@H](C)C[NH2+]Cc1cc(C)ccc1O ZINC000191205071 386776298 /nfs/dbraw/zinc/77/62/98/386776298.db2.gz DPOQFEUKSBWGDX-JTQLQIEISA-N 1 0 209.289 1.825 20 10 BDCDRO CO[C@H](C)C[NH2+]Cc1cc(F)ccc1O ZINC000191204963 386776630 /nfs/dbraw/zinc/77/66/30/386776630.db2.gz JZFJEBNIGVOGFO-MRVPVSSYSA-N 1 0 213.252 1.656 20 10 BDCDRO CC[C@@H](C[NH2+]Cc1ccccc1O)OC ZINC000289984255 387107018 /nfs/dbraw/zinc/10/70/18/387107018.db2.gz ZZAYYBAPPFUZAN-NSHDSACASA-N 1 0 209.289 1.907 20 10 BDCDRO CC[C@H]([NH2+]Cc1cnnn1C)c1ccccc1O ZINC000287386006 387423404 /nfs/dbraw/zinc/42/34/04/387423404.db2.gz PUGIBNPODSIOBZ-LBPRGKRZSA-N 1 0 246.314 1.762 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cnnn1C)c1ccccc1O ZINC000287386002 387423908 /nfs/dbraw/zinc/42/39/08/387423908.db2.gz PUGIBNPODSIOBZ-GFCCVEGCSA-N 1 0 246.314 1.762 20 10 BDCDRO C[C@H](CO)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000077423754 387910576 /nfs/dbraw/zinc/91/05/76/387910576.db2.gz GVMZZAKAHAGPPY-MNOVXSKESA-N 1 0 235.327 1.728 20 10 BDCDRO C[C@@H](C[S@](C)=O)[N@H+](C)Cc1ccccc1O ZINC000185225744 387954498 /nfs/dbraw/zinc/95/44/98/387954498.db2.gz ZTYJFTVAIDKKCO-QFYYESIMSA-N 1 0 241.356 1.591 20 10 BDCDRO C[C@@H](CCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297529341 388429820 /nfs/dbraw/zinc/42/98/20/388429820.db2.gz DLRNSVXYGKQESH-CMPLNLGQSA-N 1 0 235.327 1.988 20 10 BDCDRO CC(C)[C@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297613960 388430929 /nfs/dbraw/zinc/43/09/29/388430929.db2.gz IREDGLKZDKQTQM-DGCLKSJQSA-N 1 0 235.327 1.986 20 10 BDCDRO Oc1ccccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000530176746 388621174 /nfs/dbraw/zinc/62/11/74/388621174.db2.gz LKBCUMBYYHKLLI-CYBMUJFWSA-N 1 0 232.327 1.766 20 10 BDCDRO C[C@@H](CCO)[NH2+]Cc1cc(F)ccc1O ZINC000226610776 388723607 /nfs/dbraw/zinc/72/36/07/388723607.db2.gz HIZCABKDXDERCD-QMMMGPOBSA-N 1 0 213.252 1.392 20 10 BDCDRO OC1CCN(c2ccc(C[NH2+]C3CC3)cc2)CC1 ZINC000034824096 132336994 /nfs/dbraw/zinc/33/69/94/132336994.db2.gz LOBUQXBBRFPQHR-UHFFFAOYSA-N 1 0 246.354 1.900 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@]1(O)CCOC1)CC2 ZINC000297092009 135380315 /nfs/dbraw/zinc/38/03/15/135380315.db2.gz XHHOBYKQPULUJF-SMDDNHRTSA-N 1 0 249.310 1.121 20 10 BDCDRO CC(C)NC(=O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035136003 167058401 /nfs/dbraw/zinc/05/84/01/167058401.db2.gz SFPCUISFOWLSJF-UHFFFAOYSA-N 1 0 249.358 1.367 20 10 BDCDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000129578425 168008941 /nfs/dbraw/zinc/00/89/41/168008941.db2.gz ZCALMRZPUBUJTQ-ZIAGYGMSSA-N 1 0 247.338 1.871 20 10 BDCDRO CC1(O)CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000180165700 168066723 /nfs/dbraw/zinc/06/67/23/168066723.db2.gz DTNCFPAZFDIYPR-UHFFFAOYSA-N 1 0 239.290 1.878 20 10 BDCDRO CC1CC[NH+](CC(=O)Nc2ccc(N)cc2)CC1 ZINC000022155797 168179353 /nfs/dbraw/zinc/17/93/53/168179353.db2.gz XFGRMRWCXZFCLF-UHFFFAOYSA-N 1 0 247.342 1.939 20 10 BDCDRO CC[C@H](C(=O)NCc1ccccc1O)[NH+](C)C ZINC000269138051 171230621 /nfs/dbraw/zinc/23/06/21/171230621.db2.gz KYBBCXDIAQQXLN-LLVKDONJSA-N 1 0 236.315 1.349 20 10 BDCDRO CN1CC[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000042544496 173151422 /nfs/dbraw/zinc/15/14/22/173151422.db2.gz QIGSEKBNJUVJMG-NSHDSACASA-N 1 0 240.734 1.839 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000299283226 173280536 /nfs/dbraw/zinc/28/05/36/173280536.db2.gz DHAURQKSXVHDMI-LLVKDONJSA-N 1 0 249.358 1.367 20 10 BDCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000092135706 173363560 /nfs/dbraw/zinc/36/35/60/173363560.db2.gz BOMBDRPPTRBQTL-LLVKDONJSA-N 1 0 249.358 1.224 20 10 BDCDRO COCC[N@H+](C)Cc1cc(OC)ccc1O ZINC000132706658 174279921 /nfs/dbraw/zinc/27/99/21/174279921.db2.gz ZFANBNJGSFTJCE-UHFFFAOYSA-N 1 0 225.288 1.479 20 10 BDCDRO COCC[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000053401441 174280206 /nfs/dbraw/zinc/28/02/06/174280206.db2.gz RBNUCZUYQMPDJG-UHFFFAOYSA-N 1 0 222.332 1.831 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)CO)cc1C ZINC000037258694 175109511 /nfs/dbraw/zinc/10/95/11/175109511.db2.gz HIHHVUZEXSXNQO-JTQLQIEISA-N 1 0 209.289 1.474 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000367802726 175158181 /nfs/dbraw/zinc/15/81/81/175158181.db2.gz VCSHBSJSNJYQIV-ITGUQSILSA-N 1 0 249.310 1.071 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)C(C)C)c1 ZINC000164696636 175158699 /nfs/dbraw/zinc/15/86/99/175158699.db2.gz LZQOXKWXVRTJAS-ZDUSSCGKSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC2(C)COC2)c1 ZINC000094721957 175159201 /nfs/dbraw/zinc/15/92/01/175159201.db2.gz DGRRWYJESOUZRZ-UHFFFAOYSA-N 1 0 237.299 1.527 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC000180194990 175260247 /nfs/dbraw/zinc/26/02/47/175260247.db2.gz DFIZANLURKSGNK-ZDUSSCGKSA-N 1 0 237.299 1.358 20 10 BDCDRO C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccccc1O ZINC000377825474 176050293 /nfs/dbraw/zinc/05/02/93/176050293.db2.gz CBLCOWDAIZQUBP-SNVBAGLBSA-N 1 0 234.299 1.103 20 10 BDCDRO C[C@H](O)[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272522030 177009878 /nfs/dbraw/zinc/00/98/78/177009878.db2.gz LLUSNCXLJKZVMF-GXTWGEPZSA-N 1 0 248.370 1.955 20 10 BDCDRO C[N@H+](Cc1ccccc1O)CC(C)(C)CO ZINC000294766636 488024313 /nfs/dbraw/zinc/02/43/13/488024313.db2.gz JRXPFICBGJMXAV-UHFFFAOYSA-N 1 0 223.316 1.843 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCc2cnn(C)c2)c1 ZINC000083552052 491126503 /nfs/dbraw/zinc/12/65/03/491126503.db2.gz YXWMNABKYDUXDM-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO Nc1ccc(NC[C@@]23C[C@@H]2C[NH2+]C3)cc1 ZINC000853246859 588728481 /nfs/dbraw/zinc/72/84/81/588728481.db2.gz VIAKOCKKIUMRLO-SKDRFNHKSA-N 1 0 203.289 1.290 20 10 BDCDRO Oc1cccc2c1[C@H](NCC13CC(C1)C[NH2+]3)CC2 ZINC000854226185 588780612 /nfs/dbraw/zinc/78/06/12/588780612.db2.gz DSOCYVCBVGALLL-WBFHCKIUSA-N 1 0 244.338 1.721 20 10 BDCDRO C[C@H](C[NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892046147 582771744 /nfs/dbraw/zinc/77/17/44/582771744.db2.gz ZKUXFSXPNNTORT-SECBINFHSA-N 1 0 249.314 1.012 20 10 BDCDRO Cc1ncc(C[NH2+]Cc2ccccc2O)cn1 ZINC000725850821 582909975 /nfs/dbraw/zinc/90/99/75/582909975.db2.gz BLBYRYYCYJMMRE-UHFFFAOYSA-N 1 0 229.283 1.780 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000219383570 583175242 /nfs/dbraw/zinc/17/52/42/583175242.db2.gz DJVYJILVSFCEDN-NSHDSACASA-N 1 0 224.279 1.325 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)C[C@H]1CO ZINC000857061318 588884591 /nfs/dbraw/zinc/88/45/91/588884591.db2.gz OIGGLOUYIHGJDY-AAEUAGOBSA-N 1 0 235.327 1.843 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)C[S@@](C)=O)c(O)c1 ZINC000877311337 583311670 /nfs/dbraw/zinc/31/16/70/583311670.db2.gz VUJHZZQRXFOGIF-QLJPJBMISA-N 1 0 241.356 1.557 20 10 BDCDRO COc1cc(C)cc(C[NH2+]CC[C@@H](C)O)c1O ZINC000894331095 583424962 /nfs/dbraw/zinc/42/49/62/583424962.db2.gz ATQOHEDIGKWCCS-SNVBAGLBSA-N 1 0 239.315 1.570 20 10 BDCDRO COc1cc(C)cc(C[NH2+]CCCCO)c1O ZINC000894580873 583488382 /nfs/dbraw/zinc/48/83/82/583488382.db2.gz XOHQFYHBAWCVMX-UHFFFAOYSA-N 1 0 239.315 1.571 20 10 BDCDRO CC1=NO[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000895312075 583647368 /nfs/dbraw/zinc/64/73/68/583647368.db2.gz TXQYPIBOMMLBSY-NSHDSACASA-N 1 0 220.272 1.647 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895647329 583698706 /nfs/dbraw/zinc/69/87/06/583698706.db2.gz KGMAGGWWPYRVAZ-AAEUAGOBSA-N 1 0 219.284 1.267 20 10 BDCDRO CCN1CC[C@@H]1C[NH2+]Cc1c(C)cccc1O ZINC000895671767 583706996 /nfs/dbraw/zinc/70/69/96/583706996.db2.gz OGOJJUUUSWDUIW-GFCCVEGCSA-N 1 0 234.343 1.884 20 10 BDCDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988584 583933514 /nfs/dbraw/zinc/93/35/14/583933514.db2.gz UBEJNCBHEGKNCP-ZJUUUORDSA-N 1 0 236.315 1.425 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863484855 583992225 /nfs/dbraw/zinc/99/22/25/583992225.db2.gz NYUXJVCBLDKPRW-WCQYABFASA-N 1 0 234.343 1.931 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000863486667 583992487 /nfs/dbraw/zinc/99/24/87/583992487.db2.gz BXAUERAQHASYOY-CMPLNLGQSA-N 1 0 220.316 1.541 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000897681366 584038881 /nfs/dbraw/zinc/03/88/81/584038881.db2.gz SQYCQZDEEOPFET-TVQRCGJNSA-N 1 0 237.299 1.213 20 10 BDCDRO COc1ccc(O)c(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1 ZINC000897681367 584039514 /nfs/dbraw/zinc/03/95/14/584039514.db2.gz SQYCQZDEEOPFET-ZANVPECISA-N 1 0 237.299 1.213 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897683792 584040461 /nfs/dbraw/zinc/04/04/61/584040461.db2.gz GXIMLUQHBPNXFB-MWLCHTKSSA-N 1 0 237.299 1.213 20 10 BDCDRO COc1cccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000897683793 584040643 /nfs/dbraw/zinc/04/06/43/584040643.db2.gz GXIMLUQHBPNXFB-ONGXEEELSA-N 1 0 237.299 1.213 20 10 BDCDRO Nc1ccc(-n2cc([C@@H]3CCCC[NH2+]3)nn2)cc1 ZINC000899683137 584224289 /nfs/dbraw/zinc/22/42/89/584224289.db2.gz VIUNHRAYBMKRMC-LBPRGKRZSA-N 1 0 243.314 1.664 20 10 BDCDRO [NH3+]CC[C@H](NCc1cc(F)ccc1O)C(F)F ZINC000841074404 584696704 /nfs/dbraw/zinc/69/67/04/584696704.db2.gz PMAFEBRYCDAJNL-VIFPVBQESA-N 1 0 248.248 1.603 20 10 BDCDRO CCOc1cccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])c1O ZINC000841076741 584756101 /nfs/dbraw/zinc/75/61/01/584756101.db2.gz NXVJBZRARVVDOQ-NXEZZACHSA-N 1 0 238.331 1.616 20 10 BDCDRO C[C@@H](NCc1ccc2c(c1)CCCO2)[C@H](C)[NH3+] ZINC000904355999 584871188 /nfs/dbraw/zinc/87/11/88/584871188.db2.gz ZHTGWJFQAOBRSI-WDEREUQCSA-N 1 0 234.343 1.837 20 10 BDCDRO CN(C(=O)C1(C[NH+](C)C)CC1)c1ccc(N)cc1 ZINC000877077040 584889691 /nfs/dbraw/zinc/88/96/91/584889691.db2.gz UXAGMSKNHCSQIB-UHFFFAOYSA-N 1 0 247.342 1.573 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CCCNC(=O)C2)cc1C ZINC000769116060 584956787 /nfs/dbraw/zinc/95/67/87/584956787.db2.gz SCGBFBCSRZZVAG-UHFFFAOYSA-N 1 0 248.326 1.331 20 10 BDCDRO Cc1cccc(C[NH+]2CC(O)(C(C)C)C2)c1O ZINC000839132592 585094017 /nfs/dbraw/zinc/09/40/17/585094017.db2.gz DINFNMHKMOWTRY-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO COCCOC[C@H](C)[NH2+]Cc1ccccc1O ZINC000742377606 585125531 /nfs/dbraw/zinc/12/55/31/585125531.db2.gz WFPZJBKAZDSPMJ-NSHDSACASA-N 1 0 239.315 1.533 20 10 BDCDRO CC(C)[N@H+](C)CC(=O)NCc1ccccc1O ZINC000748347413 585190946 /nfs/dbraw/zinc/19/09/46/585190946.db2.gz ZKOVUHZEBYBTPV-UHFFFAOYSA-N 1 0 236.315 1.349 20 10 BDCDRO Cc1cc(O)c(CN(C)[C@H](C)C[NH3+])cc1C ZINC000843053038 585332485 /nfs/dbraw/zinc/33/24/85/585332485.db2.gz YMBHBPNBJCBQCO-LLVKDONJSA-N 1 0 222.332 1.788 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@@H]3O)C1 ZINC000768443970 585538764 /nfs/dbraw/zinc/53/87/64/585538764.db2.gz KEISHHWBFQAHRR-RNCFNFMXSA-N 1 0 249.310 1.660 20 10 BDCDRO COc1cccc(CN(C)Cc2cc[nH]n2)c1O ZINC000769383805 585555175 /nfs/dbraw/zinc/55/51/75/585555175.db2.gz KCOZNOPRXDPEEK-UHFFFAOYSA-N 1 0 247.298 1.756 20 10 BDCDRO CC[N@H+](CCCO)Cc1c(O)cccc1OC ZINC000769484757 585556612 /nfs/dbraw/zinc/55/66/12/585556612.db2.gz YPXBDDZBZTUIIM-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO O=C1CN(Cc2ccccc2O)CCN1C1CC1 ZINC000770510848 585575221 /nfs/dbraw/zinc/57/52/21/585575221.db2.gz RPSJNCAAXOOXDK-UHFFFAOYSA-N 1 0 246.310 1.199 20 10 BDCDRO CCN(C)c1ccc(C[N@H+]2C[C@H](O)[C@@H](C)C2)cc1 ZINC000773819068 585644529 /nfs/dbraw/zinc/64/45/29/585644529.db2.gz OBLFKLCHNAKRMB-WFASDCNBSA-N 1 0 248.370 1.955 20 10 BDCDRO C[C@@H]1[C@H](C)N(C)CC[N@H+]1Cc1ccccc1O ZINC000775985863 585688320 /nfs/dbraw/zinc/68/83/20/585688320.db2.gz PGZKXTOGCMQLMF-NWDGAFQWSA-N 1 0 234.343 1.917 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)[C@H]1C ZINC000787420564 585909227 /nfs/dbraw/zinc/90/92/27/585909227.db2.gz IYECOHSCTKIPNA-CMPLNLGQSA-N 1 0 249.310 1.776 20 10 BDCDRO C[C@@H](C[NH+](C)C)NC(=O)C1=CC(=O)CS1 ZINC000807777986 586448656 /nfs/dbraw/zinc/44/86/56/586448656.db2.gz QOFHWCHPHCOBRG-ZETCQYMHSA-N 1 0 228.317 1.134 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)[C@@H](C)CO ZINC000809742560 586515887 /nfs/dbraw/zinc/51/58/87/586515887.db2.gz DDOOZHSCTKEYTQ-VIFPVBQESA-N 1 0 225.288 1.213 20 10 BDCDRO Cc1cc(NCCc2ccc(O)c(O)c2)cc[nH+]1 ZINC000811810865 586567098 /nfs/dbraw/zinc/56/70/98/586567098.db2.gz GSKMOLFAINIKKJ-UHFFFAOYSA-N 1 0 244.294 1.878 20 10 BDCDRO OCC[NH2+]Cc1ccc2ccccc2c1O ZINC000816561463 586740371 /nfs/dbraw/zinc/74/03/71/586740371.db2.gz YPYMDEMWFYWMKE-UHFFFAOYSA-N 1 0 217.268 1.627 20 10 BDCDRO NC(=O)CC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000817411509 586801935 /nfs/dbraw/zinc/80/19/35/586801935.db2.gz SPXIYXUSKMESFB-UHFFFAOYSA-N 1 0 234.299 1.137 20 10 BDCDRO CCN(C)c1ccc([C@@H](C)NCC[NH3+])cc1 ZINC000817934444 586843109 /nfs/dbraw/zinc/84/31/09/586843109.db2.gz IQFRMASAHGLZHQ-LLVKDONJSA-N 1 0 221.348 1.752 20 10 BDCDRO C[C@H]([NH2+]CCC[NH3+])c1cc([N+](=O)[O-])ccc1[O-] ZINC000817938985 586844453 /nfs/dbraw/zinc/84/44/53/586844453.db2.gz WXVKOMYHCXGZRL-QMMMGPOBSA-N 1 0 239.275 1.300 20 10 BDCDRO Oc1cccc2c1[C@H](N[C@H]1CCC[NH2+]C1)CC2 ZINC000817941954 586845186 /nfs/dbraw/zinc/84/51/86/586845186.db2.gz USIHIAPPXGQHCV-NWDGAFQWSA-N 1 0 232.327 1.721 20 10 BDCDRO C[C@@H](N[C@@H]1CC[NH2+]C1)c1ccccc1O ZINC000817944562 586845930 /nfs/dbraw/zinc/84/59/30/586845930.db2.gz GZWQSMVUSHXFHV-NXEZZACHSA-N 1 0 206.289 1.405 20 10 BDCDRO COc1ccc(O)c([C@H](C)N[C@@H]2CC[NH2+]C2)c1 ZINC000817944713 586846163 /nfs/dbraw/zinc/84/61/63/586846163.db2.gz KCWUSYLFTCGDRP-VHSXEESVSA-N 1 0 236.315 1.413 20 10 BDCDRO Cc1ccc(O)c([C@H](C)N[C@H]2CC[NH2+]C2)c1 ZINC000817944780 586846351 /nfs/dbraw/zinc/84/63/51/586846351.db2.gz LRCLZLLCIOMEPU-QWRGUYRKSA-N 1 0 220.316 1.713 20 10 BDCDRO CC[NH2+]CCN[C@@H](C)c1cc(OC)ccc1O ZINC000817951895 586847774 /nfs/dbraw/zinc/84/77/74/586847774.db2.gz KXWSLDUBVBZABI-JTQLQIEISA-N 1 0 238.331 1.661 20 10 BDCDRO CC[NH2+]CCN[C@@H](C)c1cc(F)ccc1O ZINC000817951979 586848048 /nfs/dbraw/zinc/84/80/48/586848048.db2.gz MJQRQAZMDYCTIT-VIFPVBQESA-N 1 0 226.295 1.791 20 10 BDCDRO C[C@H](NC[C@H]1CCC[NH2+]1)c1ccccc1O ZINC000817953308 586848519 /nfs/dbraw/zinc/84/85/19/586848519.db2.gz ZTIDAOBFFIIORT-WDEREUQCSA-N 1 0 220.316 1.795 20 10 BDCDRO Cc1ccc([C@H](C)NC2C[NH2+]C2)c(O)c1C ZINC000817955919 586849789 /nfs/dbraw/zinc/84/97/89/586849789.db2.gz LIEDBFBYMCRMOY-JTQLQIEISA-N 1 0 220.316 1.631 20 10 BDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)c1ncc[nH]1 ZINC000817956758 586850588 /nfs/dbraw/zinc/85/05/88/586850588.db2.gz CEZXVQSHYVOATR-SNVBAGLBSA-N 1 0 230.315 1.885 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1cc(F)cc(F)c1[O-] ZINC000817961663 586852632 /nfs/dbraw/zinc/85/26/32/586852632.db2.gz BXTVQJUKHQXSBW-JGVFFNPUSA-N 1 0 244.285 1.916 20 10 BDCDRO C[C@H](C[NH3+])C[NH2+][C@H](C)c1cc(F)cc(F)c1[O-] ZINC000817961662 586852930 /nfs/dbraw/zinc/85/29/30/586852930.db2.gz BXTVQJUKHQXSBW-HTQZYQBOSA-N 1 0 244.285 1.916 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H](C)CN)c(O)c1 ZINC000817970077 586856406 /nfs/dbraw/zinc/85/64/06/586856406.db2.gz KXZSUOZHJSOMTJ-UWVGGRQHSA-N 1 0 208.305 1.698 20 10 BDCDRO CC[NH2+][C@H](C)CN[C@@H]1CCc2cccc(O)c21 ZINC000817974067 586860366 /nfs/dbraw/zinc/86/03/66/586860366.db2.gz XSCMLULMJMVESA-ZYHUDNBSSA-N 1 0 234.343 1.967 20 10 BDCDRO C[C@H](N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(N(C)C)cc1 ZINC000817976518 586860767 /nfs/dbraw/zinc/86/07/67/586860767.db2.gz MWSLVCGSEZUDPW-BSLXNSKLSA-N 1 0 245.370 1.621 20 10 BDCDRO CC[C@H]([NH3+])CN[C@H](C)c1cc(F)ccc1O ZINC000817979279 586862272 /nfs/dbraw/zinc/86/22/72/586862272.db2.gz JMLJGCGPIZNPGV-SCZZXKLOSA-N 1 0 226.295 1.919 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CC[C@H]2O)c1 ZINC000818358336 586888710 /nfs/dbraw/zinc/88/87/10/586888710.db2.gz WARWOVIHXGDSIW-XTWCZFFVSA-N 1 0 237.299 1.575 20 10 BDCDRO CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)[C@@H](C)[NH3+] ZINC000818556216 586900271 /nfs/dbraw/zinc/90/02/71/586900271.db2.gz BLRQSZJEEZVFFG-BXKDBHETSA-N 1 0 235.331 1.827 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC(=O)O1 ZINC000821390903 587116052 /nfs/dbraw/zinc/11/60/52/587116052.db2.gz FRVUHOANXWLDGQ-LLVKDONJSA-N 1 0 235.283 1.530 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H](C)CO)cc1Cl ZINC000825130513 587305793 /nfs/dbraw/zinc/30/57/93/587305793.db2.gz BGWYHPHSAJKIMS-MRVPVSSYSA-N 1 0 229.707 1.824 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1O ZINC000827292688 587375650 /nfs/dbraw/zinc/37/56/50/587375650.db2.gz RQOCYHRHKGAFDZ-SMDDNHRTSA-N 1 0 249.310 1.358 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000827833317 587404678 /nfs/dbraw/zinc/40/46/78/587404678.db2.gz XEZRYJMLCMSVSR-HAQNSBGRSA-N 1 0 221.300 1.568 20 10 BDCDRO C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1ccccc1O ZINC000827955891 587412976 /nfs/dbraw/zinc/41/29/76/587412976.db2.gz GBWPHFONBHPXLS-NXEZZACHSA-N 1 0 236.315 1.520 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@@H](C)C[NH3+] ZINC000829764642 587514537 /nfs/dbraw/zinc/51/45/37/587514537.db2.gz RFRCJRICWPVFAA-NSHDSACASA-N 1 0 249.358 1.272 20 10 BDCDRO C[C@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC000832736869 587681501 /nfs/dbraw/zinc/68/15/01/587681501.db2.gz FIQGNKIABHFZIO-GWCFXTLKSA-N 1 0 247.342 1.007 20 10 BDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000834860625 587768900 /nfs/dbraw/zinc/76/89/00/587768900.db2.gz CKRAUQBJEQKKQX-WCQYABFASA-N 1 0 247.342 1.055 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@]2(C)CCC(=O)N2)c1O ZINC000835061142 587780007 /nfs/dbraw/zinc/78/00/07/587780007.db2.gz QGFLAKXMNHZZFQ-AWEZNQCLSA-N 1 0 248.326 1.459 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000840824848 587923826 /nfs/dbraw/zinc/92/38/26/587923826.db2.gz QFSQDXWWDBEWHG-SUZMYJTESA-N 1 0 237.299 1.457 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH+]1CCN(C)CC1 ZINC000840907338 587928555 /nfs/dbraw/zinc/92/85/55/587928555.db2.gz CPEIUSYFGAYFPN-UHFFFAOYSA-N 1 0 247.386 1.808 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000840910591 587929218 /nfs/dbraw/zinc/92/92/18/587929218.db2.gz SMTNTADMLYARKL-CQSZACIVSA-N 1 0 234.343 1.628 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCCO ZINC000840928320 587930214 /nfs/dbraw/zinc/93/02/14/587930214.db2.gz PGWDIEBSXZPWKV-UHFFFAOYSA-N 1 0 222.332 1.533 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]CCO ZINC000840935734 587930685 /nfs/dbraw/zinc/93/06/85/587930685.db2.gz BWABIXJQXNAREX-UHFFFAOYSA-N 1 0 208.305 1.143 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CCCO ZINC000840942486 587931314 /nfs/dbraw/zinc/93/13/14/587931314.db2.gz USLXMUYCLRLHBM-UHFFFAOYSA-N 1 0 236.359 1.875 20 10 BDCDRO Cc1cccc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000841024116 587935654 /nfs/dbraw/zinc/93/56/54/587935654.db2.gz IKDDESNDCWEDCM-ZYHUDNBSSA-N 1 0 220.316 1.622 20 10 BDCDRO CC(C)[C@@H]([NH3+])CNCc1ccc(N(C)C)cc1 ZINC000841028881 587935879 /nfs/dbraw/zinc/93/58/79/587935879.db2.gz JVHIRSOODRLMKL-AWEZNQCLSA-N 1 0 235.375 1.826 20 10 BDCDRO CCCC[C@@H](CN)[NH2+]Cc1ccccc1O ZINC000841029812 587936063 /nfs/dbraw/zinc/93/60/63/587936063.db2.gz SMTGYQLBBWKKKP-LBPRGKRZSA-N 1 0 222.332 1.999 20 10 BDCDRO CCCC[C@H](CN)[NH2+]Cc1ccccc1O ZINC000841029811 587936328 /nfs/dbraw/zinc/93/63/28/587936328.db2.gz SMTGYQLBBWKKKP-GFCCVEGCSA-N 1 0 222.332 1.999 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](CN)C2CC2)c1 ZINC000841027774 587936393 /nfs/dbraw/zinc/93/63/93/587936393.db2.gz FXVQMQJGRDOLAB-LBPRGKRZSA-N 1 0 220.316 1.528 20 10 BDCDRO Oc1cccc(Cl)c1CNC1CC[NH2+]CC1 ZINC000841027191 587936428 /nfs/dbraw/zinc/93/64/28/587936428.db2.gz ZITRBNIJOPKUNR-UHFFFAOYSA-N 1 0 240.734 1.887 20 10 BDCDRO CC(C)([NH3+])C[NH2+]Cc1cccc(F)c1[O-] ZINC000841031591 587936550 /nfs/dbraw/zinc/93/65/50/587936550.db2.gz XJJVZIPATCXRJV-UHFFFAOYSA-N 1 0 212.268 1.358 20 10 BDCDRO Oc1ccc(Cl)cc1CN[C@H]1CC[NH2+]C1 ZINC000841045466 587939367 /nfs/dbraw/zinc/93/93/67/587939367.db2.gz WDGVSQDHAIAOHO-JTQLQIEISA-N 1 0 226.707 1.497 20 10 BDCDRO CN(C)c1ccc(CN[C@H]2CC[NH2+]C2)cc1F ZINC000841044397 587939430 /nfs/dbraw/zinc/93/94/30/587939430.db2.gz FAEWSUWSUUWZOM-NSHDSACASA-N 1 0 237.322 1.343 20 10 BDCDRO C[C@H](C[NH3+])C[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841050201 587939999 /nfs/dbraw/zinc/93/99/99/587939999.db2.gz ZRIDKBJJUJGVJY-SSDOTTSWSA-N 1 0 246.713 1.869 20 10 BDCDRO CCOc1ccc(C[NH2+][C@H](C)CN)c(O)c1 ZINC000841060336 587941410 /nfs/dbraw/zinc/94/14/10/587941410.db2.gz VQNDBWZDISUWSS-SECBINFHSA-N 1 0 224.304 1.228 20 10 BDCDRO C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841062598 587942194 /nfs/dbraw/zinc/94/21/94/587942194.db2.gz AWKYRBZSGXDTNV-BXKDBHETSA-N 1 0 238.306 1.619 20 10 BDCDRO CC[C@H]([NH3+])CNCc1ccc(OC)c(C)c1 ZINC000841070120 587942328 /nfs/dbraw/zinc/94/23/28/587942328.db2.gz LPCHJGXOVQAGKX-LBPRGKRZSA-N 1 0 222.332 1.831 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1ccc2c(c1)CCO2 ZINC000841070566 587942765 /nfs/dbraw/zinc/94/27/65/587942765.db2.gz QXPFVTKLYAQGEF-GFCCVEGCSA-N 1 0 220.316 1.448 20 10 BDCDRO CC[C@@H]([NH3+])CNCc1c(O)cccc1Cl ZINC000841071334 587942813 /nfs/dbraw/zinc/94/28/13/587942813.db2.gz DECIXAQDMAQPMS-MRVPVSSYSA-N 1 0 228.723 1.873 20 10 BDCDRO CC[C@H]([NH3+])CNCc1ccc(N(C)C)cc1C ZINC000841072238 587943851 /nfs/dbraw/zinc/94/38/51/587943851.db2.gz MGHCDRJXYYCUOW-ZDUSSCGKSA-N 1 0 235.375 1.888 20 10 BDCDRO COc1ccc(CN[C@H](C)[C@@H](C)[NH3+])cc1C ZINC000841081933 587944903 /nfs/dbraw/zinc/94/49/03/587944903.db2.gz VQUJJCGESNGCGK-GHMZBOCLSA-N 1 0 222.332 1.829 20 10 BDCDRO CC1(C)[NH2+]CC[C@@H]1NCc1ccccc1O ZINC000841085550 587945385 /nfs/dbraw/zinc/94/53/85/587945385.db2.gz GSUWNTIFNQKNRP-LBPRGKRZSA-N 1 0 220.316 1.622 20 10 BDCDRO CC1(C)[NH2+]CC[C@@H]1NCc1cccc(F)c1O ZINC000841085448 587945870 /nfs/dbraw/zinc/94/58/70/587945870.db2.gz CPAXBLWNDOXTIG-NSHDSACASA-N 1 0 238.306 1.761 20 10 BDCDRO CC(C)(C)[C@@H](CN)[NH2+]Cc1ccccc1O ZINC000841087650 587945896 /nfs/dbraw/zinc/94/58/96/587945896.db2.gz PGUYILTZGPVZMU-GFCCVEGCSA-N 1 0 222.332 1.855 20 10 BDCDRO [NH3+]CC[C@@H](NCc1ccccc1O)C(F)(F)F ZINC000841091296 587946805 /nfs/dbraw/zinc/94/68/05/587946805.db2.gz XHQDPJKJBBTBLW-SNVBAGLBSA-N 1 0 248.248 1.762 20 10 BDCDRO CN(C)c1ccc(/C=C/CN2CC[C@@H]([NH3+])C2)cc1 ZINC000843045522 588075977 /nfs/dbraw/zinc/07/59/77/588075977.db2.gz UKACUYQNMRELBJ-RDFMZFSFSA-N 1 0 245.370 1.799 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2ccc(N(C)C)cc2C)C1 ZINC000843045144 588076131 /nfs/dbraw/zinc/07/61/31/588076131.db2.gz MSENBJXTXUVQIT-CQSZACIVSA-N 1 0 247.386 1.855 20 10 BDCDRO Cc1cccc(CN2CC[NH2+]C[C@H]2C)c1O ZINC000843047821 588076215 /nfs/dbraw/zinc/07/62/15/588076215.db2.gz XEVWUVNRSUHHCQ-LLVKDONJSA-N 1 0 220.316 1.494 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN1CC[NH2+]C[C@@H]1C ZINC000843047158 588076368 /nfs/dbraw/zinc/07/63/68/588076368.db2.gz HOPFCHZKCIBGBN-ZDUSSCGKSA-N 1 0 247.386 1.855 20 10 BDCDRO C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843058755 588077581 /nfs/dbraw/zinc/07/75/81/588077581.db2.gz XNTFKSGCMNVVJB-UWVGGRQHSA-N 1 0 238.306 1.700 20 10 BDCDRO C[C@@H]1[NH2+]CCN(Cc2cccc(F)c2O)[C@H]1C ZINC000843057227 588077856 /nfs/dbraw/zinc/07/78/56/588077856.db2.gz GXSVQLWCTJRGIF-UWVGGRQHSA-N 1 0 238.306 1.714 20 10 BDCDRO C[C@@]1(CNc2ccc(N)cc2)CC[NH2+]C1 ZINC000843126675 588084324 /nfs/dbraw/zinc/08/43/24/588084324.db2.gz SPRIZXAWXSZRMZ-GFCCVEGCSA-N 1 0 205.305 1.680 20 10 BDCDRO C[C@@](C[NH3+])(NC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000843343947 588101391 /nfs/dbraw/zinc/10/13/91/588101391.db2.gz DOOGRSUJZALLQE-AWEZNQCLSA-N 1 0 247.342 1.055 20 10 BDCDRO CCOc1ccc(N(C)CCOCC[NH3+])cc1 ZINC000843358928 588103874 /nfs/dbraw/zinc/10/38/74/588103874.db2.gz GPQBNBPTHDUECB-UHFFFAOYSA-N 1 0 238.331 1.497 20 10 BDCDRO COC(=O)CC1([NH2+]Cc2cccc(C)c2O)CC1 ZINC000846026954 588253904 /nfs/dbraw/zinc/25/39/04/588253904.db2.gz JKICNSZTPUQYCD-UHFFFAOYSA-N 1 0 249.310 1.886 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CCO)c1O ZINC000846148455 588258816 /nfs/dbraw/zinc/25/88/16/588258816.db2.gz ZQIAZJMAXXYUFA-UWVGGRQHSA-N 1 0 239.315 1.822 20 10 BDCDRO C[C@H]([NH2+][C@H](CO)CCF)c1ccccc1O ZINC000846207675 588259817 /nfs/dbraw/zinc/25/98/17/588259817.db2.gz BCJSORLFVRDVDB-UWVGGRQHSA-N 1 0 227.279 1.763 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1O ZINC000848905978 588418671 /nfs/dbraw/zinc/41/86/71/588418671.db2.gz OTRSUNDXEVTQFS-GXFFZTMASA-N 1 0 235.327 1.910 20 10 BDCDRO C[C@@H](O)C[N@H+](Cc1cc(F)ccc1O)C1CC1 ZINC000848929743 588422072 /nfs/dbraw/zinc/42/20/72/588422072.db2.gz ZMILPRWUJUBOCW-SECBINFHSA-N 1 0 239.290 1.877 20 10 BDCDRO CCNC(=[NH2+])NCc1c(O)ccc2c1CCCC2 ZINC000849010928 588435202 /nfs/dbraw/zinc/43/52/02/588435202.db2.gz AWAAQSGNOGXRMI-UHFFFAOYSA-N 1 0 247.342 1.905 20 10 BDCDRO CN(C)C(=[NH2+])NCc1cc(Cl)ccc1O ZINC000849048281 588451003 /nfs/dbraw/zinc/45/10/03/588451003.db2.gz GGFKCQXDPONBTC-UHFFFAOYSA-N 1 0 227.695 1.632 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+]C/C=C\CO)cc1 ZINC000850358046 588539064 /nfs/dbraw/zinc/53/90/64/588539064.db2.gz ZYEWQRXIXVAUCJ-OUPQRBNQSA-N 1 0 246.354 1.904 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccccc1O ZINC000850578799 588561860 /nfs/dbraw/zinc/56/18/60/588561860.db2.gz NZAITOBZQDNQSU-OPRDCNLKSA-N 1 0 207.273 1.566 20 10 BDCDRO O=C(C=C1CC[NH2+]CC1)N1CCc2ccncc21 ZINC000852887665 588711605 /nfs/dbraw/zinc/71/16/05/588711605.db2.gz CRTVNPLDUZLAFD-UHFFFAOYSA-N 1 0 243.310 1.281 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2ccc3c(c2)CCO3)C[NH2+]1 ZINC000863485286 589293344 /nfs/dbraw/zinc/29/33/44/589293344.db2.gz YGKQRBACZSRZBS-RISCZKNCSA-N 1 0 246.354 1.852 20 10 BDCDRO CC[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1O ZINC000866419463 589491963 /nfs/dbraw/zinc/49/19/63/589491963.db2.gz DJZFXHSQTYEGAY-WZRBSPASSA-N 1 0 237.299 1.193 20 10 BDCDRO CO[C@@]1(C[NH2+]Cc2ccccc2O)CCOC1 ZINC000122961471 589645891 /nfs/dbraw/zinc/64/58/91/589645891.db2.gz XSBIVXDZLSJNFO-CYBMUJFWSA-N 1 0 237.299 1.287 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1O ZINC000870988028 589706812 /nfs/dbraw/zinc/70/68/12/589706812.db2.gz DNYXHLDNZJFTSV-BXKDBHETSA-N 1 0 248.326 1.567 20 10 BDCDRO CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1ccccc1O ZINC000870988699 589708197 /nfs/dbraw/zinc/70/81/97/589708197.db2.gz XHBZIQBCUZBUSZ-KOLCDFICSA-N 1 0 236.315 1.567 20 10 BDCDRO C[NH+](C)C1(C(=O)N2Cc3cccc(O)c3C2)CC1 ZINC000871205475 589745453 /nfs/dbraw/zinc/74/54/53/589745453.db2.gz FHRVJJVJFVGHNT-UHFFFAOYSA-N 1 0 246.310 1.329 20 10 BDCDRO COc1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1O ZINC000873217967 589999090 /nfs/dbraw/zinc/99/90/90/589999090.db2.gz WIYFCPFHFSDZMT-TXEJJXNPSA-N 1 0 248.326 1.337 20 10 BDCDRO C[NH2+]CCCN(C)c1ccc(OC)c(OC)c1 ZINC000125005538 590111859 /nfs/dbraw/zinc/11/18/59/590111859.db2.gz MIYBQQMJJDHOBL-UHFFFAOYSA-N 1 0 238.331 1.750 20 10 BDCDRO C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(N)cc2)C1 ZINC000876504303 590203956 /nfs/dbraw/zinc/20/39/56/590203956.db2.gz MEEFZWSMLJNFRZ-SNVBAGLBSA-N 1 0 233.315 1.549 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCCC[C@@H]2C(N)=O)c(O)c1 ZINC000876539519 590212347 /nfs/dbraw/zinc/21/23/47/590212347.db2.gz JOISNHINMFTXJH-GFCCVEGCSA-N 1 0 248.326 1.540 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](C)C1 ZINC000876556869 590215752 /nfs/dbraw/zinc/21/57/52/590215752.db2.gz WTLOSSJULYWVPF-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2c(C)cccc2O)C1 ZINC000876594465 590219626 /nfs/dbraw/zinc/21/96/26/590219626.db2.gz NRCUUXZIMYAUBB-NSHDSACASA-N 1 0 249.310 1.696 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H]1O ZINC000876815174 590246023 /nfs/dbraw/zinc/24/60/23/590246023.db2.gz NMDXWJLVJMEFJM-FZMZJTMJSA-N 1 0 235.327 1.903 20 10 BDCDRO CC1(C)[C@H](C(=O)NCc2ccccc2O)C[C@@H]1[NH3+] ZINC000876878193 590252489 /nfs/dbraw/zinc/25/24/89/590252489.db2.gz TXASUZWKYPCFAK-JQWIXIFHSA-N 1 0 248.326 1.382 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)CCO)c(O)c1 ZINC000877052118 590274802 /nfs/dbraw/zinc/27/48/02/590274802.db2.gz RLDYHBHHSROUQP-SNVBAGLBSA-N 1 0 209.289 1.561 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1c(C)cccc1O ZINC000877055582 590275925 /nfs/dbraw/zinc/27/59/25/590275925.db2.gz QIFCVYKRHSAHDW-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO CC[NH2+][C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074400 590278474 /nfs/dbraw/zinc/27/84/74/590278474.db2.gz IYDXBCZDQNFIJG-VIFPVBQESA-N 1 0 221.304 1.230 20 10 BDCDRO CN(C(=O)[C@H]1CCC[NH2+]CC1)c1ccc(N)cc1 ZINC000877075855 590278613 /nfs/dbraw/zinc/27/86/13/590278613.db2.gz JZVDBTOHTLPNMQ-NSHDSACASA-N 1 0 247.342 1.621 20 10 BDCDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877076927 590278617 /nfs/dbraw/zinc/27/86/17/590278617.db2.gz XHOHEXKVNJZYNP-CHWSQXEVSA-N 1 0 247.342 1.620 20 10 BDCDRO CN(C(=O)CCCC[NH3+])c1ccc(N)cc1 ZINC000877077785 590279027 /nfs/dbraw/zinc/27/90/27/590279027.db2.gz URKREGJXKHTUSF-UHFFFAOYSA-N 1 0 221.304 1.361 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)CCCO)c(O)c1 ZINC000877109892 590286803 /nfs/dbraw/zinc/28/68/03/590286803.db2.gz TWGKRTUKRKNLIV-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H](C)N(C)C ZINC000877149613 590290881 /nfs/dbraw/zinc/29/08/81/590290881.db2.gz DPZRFPXBHVNTQL-NSHDSACASA-N 1 0 222.332 1.740 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877143016 590291805 /nfs/dbraw/zinc/29/18/05/590291805.db2.gz YRZRQZWHMIHFNA-SNVBAGLBSA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H](O)C2CC2)c(O)c1 ZINC000877526132 590347744 /nfs/dbraw/zinc/34/77/44/590347744.db2.gz PWPFLBAMHKOIHU-ZDUSSCGKSA-N 1 0 221.300 1.561 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](O)C2)c(O)c1 ZINC000877576195 590363842 /nfs/dbraw/zinc/36/38/42/590363842.db2.gz JQTAYDXGFDDJLN-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC1(CC(N)=O)CC1 ZINC000877594511 590370422 /nfs/dbraw/zinc/37/04/22/590370422.db2.gz GYEUDLBECUVJKO-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](CO)C2CCC2)c(O)c1 ZINC000877622053 590375928 /nfs/dbraw/zinc/37/59/28/590375928.db2.gz DSDQTLVSRQDOAZ-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC(=O)N(C)CC1 ZINC000877632206 590378358 /nfs/dbraw/zinc/37/83/58/590378358.db2.gz RUOZIKFMMZXRDW-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCCNC(=O)C2)c1 ZINC000877652568 590384962 /nfs/dbraw/zinc/38/49/62/590384962.db2.gz KUTZFJIOQNROJL-GFCCVEGCSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1ncc[nH]1 ZINC000877672711 590390325 /nfs/dbraw/zinc/39/03/25/590390325.db2.gz LIWCTRHIIGRRHJ-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC[C@H](O)C(F)F ZINC000877676652 590390422 /nfs/dbraw/zinc/39/04/22/590390422.db2.gz AHZIBVBBQJLQAZ-NSHDSACASA-N 1 0 245.269 1.806 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C2(C)COC2)cc1C ZINC000877691355 590392799 /nfs/dbraw/zinc/39/27/99/590392799.db2.gz NSAYYZQCBITMFX-UHFFFAOYSA-N 1 0 221.300 1.888 20 10 BDCDRO COC(=O)C1CC([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877724602 590402277 /nfs/dbraw/zinc/40/22/77/590402277.db2.gz ZDXWIDDVYLSMPM-UHFFFAOYSA-N 1 0 249.310 1.742 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+][C@@H]1CCOC1 ZINC000127352099 590625083 /nfs/dbraw/zinc/62/50/83/590625083.db2.gz QMNATUYHAHDHJL-MRVPVSSYSA-N 1 0 227.691 1.924 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1CCC(=O)O1)c1ccccc1O ZINC000879649572 590841887 /nfs/dbraw/zinc/84/18/87/590841887.db2.gz WIOLWSFETJTVBO-NXEZZACHSA-N 1 0 235.283 1.748 20 10 BDCDRO CC(=O)[C@](C)(O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879650504 590843572 /nfs/dbraw/zinc/84/35/72/590843572.db2.gz FHGUFFBAWZWCBM-TVQRCGJNSA-N 1 0 237.299 1.383 20 10 BDCDRO C[C@H]1CN(Cc2c(O)cccc2Cl)CC[NH2+]1 ZINC000128331766 590999170 /nfs/dbraw/zinc/99/91/70/590999170.db2.gz QDMNEOBDCVAPLN-VIFPVBQESA-N 1 0 240.734 1.839 20 10 BDCDRO C[NH2+]CCN(C)Cc1c(O)cccc1Cl ZINC000128335528 590999176 /nfs/dbraw/zinc/99/91/76/590999176.db2.gz IDDRLLRPGQLCEL-UHFFFAOYSA-N 1 0 228.723 1.697 20 10 BDCDRO CN(Cc1ccccc1O)C[C@@H]1CCC[N@@H+]1C ZINC000211616724 591208604 /nfs/dbraw/zinc/20/86/04/591208604.db2.gz ZBWWOXIZBDPEGS-ZDUSSCGKSA-N 1 0 234.343 1.918 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCSC2)c1 ZINC000129581187 591329393 /nfs/dbraw/zinc/32/93/93/591329393.db2.gz PCTFCNKQJXZWKW-JTQLQIEISA-N 1 0 239.340 1.996 20 10 BDCDRO C[NH+](C)C1CCN(Cc2ccccc2O)CC1 ZINC000132202363 591693146 /nfs/dbraw/zinc/69/31/46/591693146.db2.gz SMYAROKPVLIKIX-UHFFFAOYSA-N 1 0 234.343 1.918 20 10 BDCDRO C[NH2+]C[C@H]1CCCN1Cc1cc(C)ccc1O ZINC000133039893 591757647 /nfs/dbraw/zinc/75/76/47/591757647.db2.gz QGAWFIQZLPUHPP-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000884348438 591910022 /nfs/dbraw/zinc/91/00/22/591910022.db2.gz ZFIGXWRVXIIBTA-RYUDHWBXSA-N 1 0 247.342 1.053 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000136401488 592117454 /nfs/dbraw/zinc/11/74/54/592117454.db2.gz OWMKUCAMPTXCLI-VIFPVBQESA-N 1 0 235.205 1.405 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(F)ccc2O)CC[C@@H]1[NH3+] ZINC000220189267 592287570 /nfs/dbraw/zinc/28/75/70/592287570.db2.gz VKQVLPSAKUBEOS-SKDRFNHKSA-N 1 0 238.306 1.700 20 10 BDCDRO COc1cccc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC000300048740 592501744 /nfs/dbraw/zinc/50/17/44/592501744.db2.gz MCQVBJZAHDRSDX-MWLCHTKSSA-N 1 0 236.315 1.180 20 10 BDCDRO CN(C)c1ccc(CNC[C@H]2CCCC[NH2+]2)cc1 ZINC000234265175 635551684 /nfs/dbraw/zinc/55/16/84/635551684.db2.gz XNOSVTBWTYTYCK-CQSZACIVSA-N 1 0 247.386 1.984 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2CNOC2)c1 ZINC000925861548 635557514 /nfs/dbraw/zinc/55/75/14/635557514.db2.gz FERXRQJSJVBEGO-NXEZZACHSA-N 1 0 222.288 1.255 20 10 BDCDRO CCN(C)c1ccc([C@@H](C)[NH2+][C@H]2CNOC2)cc1 ZINC000925871371 635588445 /nfs/dbraw/zinc/58/84/45/635588445.db2.gz USXXFVPXWJNLNP-YPMHNXCESA-N 1 0 249.358 1.697 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+][C@@H](C)COC)c1 ZINC000236868669 635609021 /nfs/dbraw/zinc/60/90/21/635609021.db2.gz NKGVZHOBQFZQLF-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO OC[C@@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000308903670 632118628 /nfs/dbraw/zinc/11/86/28/632118628.db2.gz KMOLYIRVBCRSQN-LLVKDONJSA-N 1 0 207.273 1.253 20 10 BDCDRO OC[C@H]([NH2+]Cc1c(O)cccc1Cl)C1CC1 ZINC000309576829 632540006 /nfs/dbraw/zinc/54/00/06/632540006.db2.gz PBPJVHPUGFDNKV-NSHDSACASA-N 1 0 241.718 1.906 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(F)ccc1O ZINC000309298644 632907100 /nfs/dbraw/zinc/90/71/00/632907100.db2.gz LLFXGINCFXYSRX-LDYMZIIASA-N 1 0 224.279 1.453 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C2(CO)CC2)c1 ZINC000162985404 633043874 /nfs/dbraw/zinc/04/38/74/633043874.db2.gz MFNPODKNZNRVHI-UHFFFAOYSA-N 1 0 223.272 1.015 20 10 BDCDRO C[NH2+]CCCC(=O)Nc1ccc(N)cc1 ZINC000237224387 636058642 /nfs/dbraw/zinc/05/86/42/636058642.db2.gz NLVOERYYSZLELM-UHFFFAOYSA-N 1 0 207.277 1.207 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)CC1([NH3+])CCC1 ZINC000094294733 635278797 /nfs/dbraw/zinc/27/87/97/635278797.db2.gz XWSUECVCFSLWCD-UHFFFAOYSA-N 1 0 248.326 1.622 20 10 BDCDRO C[C@@H]1CN(Cc2cc(F)ccc2O)C[C@@H](C)[NH2+]1 ZINC000220137253 635300731 /nfs/dbraw/zinc/30/07/31/635300731.db2.gz LEZPBNOSARMKRZ-NXEZZACHSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](CO)CCF)c(O)c1 ZINC000877614962 635748675 /nfs/dbraw/zinc/74/86/75/635748675.db2.gz PVJUTIOPHMPMFY-LLVKDONJSA-N 1 0 227.279 1.511 20 10 BDCDRO C[C@](O)(C[NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000310415651 636007944 /nfs/dbraw/zinc/00/79/44/636007944.db2.gz MZXCMUBVEMCCRI-ZDUSSCGKSA-N 1 0 239.290 1.782 20 10 BDCDRO OCCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000163270897 636346161 /nfs/dbraw/zinc/34/61/61/636346161.db2.gz QKPWQLSFTVQBPJ-UHFFFAOYSA-N 1 0 221.300 1.484 20 10 BDCDRO OC[C@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000897357980 636412668 /nfs/dbraw/zinc/41/26/68/636412668.db2.gz RKAJZQSHDUDTFW-JLIMDTESSA-N 1 0 225.263 1.392 20 10 BDCDRO C[C@@H](C[NH3+])C(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000054340667 636427016 /nfs/dbraw/zinc/42/70/16/636427016.db2.gz POGIIAFBTQUWHZ-NSHDSACASA-N 1 0 249.358 1.306 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1cc(F)ccc1O ZINC000863481148 636714994 /nfs/dbraw/zinc/71/49/94/636714994.db2.gz AAEPOIYNVJATOV-NWDGAFQWSA-N 1 0 238.306 1.761 20 10 BDCDRO Oc1ccc(F)cc1CN[C@@H]1CCC[NH2+]C1 ZINC000841043035 636924882 /nfs/dbraw/zinc/92/48/82/636924882.db2.gz MYZSBJBJYLOMCD-LLVKDONJSA-N 1 0 224.279 1.373 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000841064778 636974393 /nfs/dbraw/zinc/97/43/93/636974393.db2.gz JLAWDFRSBBKWGC-SMDDNHRTSA-N 1 0 246.354 1.852 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCC[C@H]2O)c1 ZINC000323484003 636989483 /nfs/dbraw/zinc/98/94/83/636989483.db2.gz AOBBQSMLODATEA-DGCLKSJQSA-N 1 0 237.299 1.404 20 10 BDCDRO C[C@@H]([NH2+]CCCON)c1ccccc1O ZINC000902419917 637303463 /nfs/dbraw/zinc/30/34/63/637303463.db2.gz VPDVMKLIIUNXPQ-SECBINFHSA-N 1 0 210.277 1.323 20 10 BDCDRO C[C@H]([NH2+]CCCON)c1cc(Cl)ccc1O ZINC000902426398 637305748 /nfs/dbraw/zinc/30/57/48/637305748.db2.gz SGAMIJFZOXBWOB-QMMMGPOBSA-N 1 0 244.722 1.977 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CC2([NH3+])CC2)cc1C ZINC000904448811 637414365 /nfs/dbraw/zinc/41/43/65/637414365.db2.gz CRAHUVNVJFRSRV-UHFFFAOYSA-N 1 0 220.316 1.590 20 10 BDCDRO [NH3+]C1(C[NH2+]Cc2cccc(Cl)c2[O-])CC1 ZINC000904449404 637414672 /nfs/dbraw/zinc/41/46/72/637414672.db2.gz HRCHLXWYOIXHHJ-UHFFFAOYSA-N 1 0 226.707 1.627 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNCC1([NH3+])CC1 ZINC000904444835 637415093 /nfs/dbraw/zinc/41/50/93/637415093.db2.gz SRHNQRPZUIXGDB-UHFFFAOYSA-N 1 0 233.359 1.642 20 10 BDCDRO C[NH2+]CCC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000043604848 638648448 /nfs/dbraw/zinc/64/84/48/638648448.db2.gz JGYOVZMUZLISNK-UHFFFAOYSA-N 1 0 249.358 1.321 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2cc(Cl)ccc2O)C1 ZINC000150073744 639300348 /nfs/dbraw/zinc/30/03/48/639300348.db2.gz RYBIBJHPPRHKAY-NSHDSACASA-N 1 0 240.734 1.839 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[N+](=O)[O-])c1 ZINC000930217686 639637000 /nfs/dbraw/zinc/63/70/00/639637000.db2.gz ZDDAEWXPEBKUFJ-MRVPVSSYSA-N 1 0 240.259 1.328 20 10 BDCDRO O=C(C1=CCC[NH2+]CC1)N1CCc2ccccc21 ZINC000911930406 639896599 /nfs/dbraw/zinc/89/65/99/639896599.db2.gz BTCZGPXESWZKLL-UHFFFAOYSA-N 1 0 242.322 1.886 20 10 BDCDRO C[C@H]([NH2+]CC[S@](C)=O)c1ccccc1O ZINC000163980366 640430723 /nfs/dbraw/zinc/43/07/23/640430723.db2.gz JBMCWKXQRIBUDW-BJOHPYRUSA-N 1 0 227.329 1.421 20 10 BDCDRO CN1CC[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000226607212 640779365 /nfs/dbraw/zinc/77/93/65/640779365.db2.gz GEGWKMCZIZDXCZ-LLVKDONJSA-N 1 0 224.279 1.325 20 10 BDCDRO C[C@H](CCCO)[NH2+]Cc1cc(F)ccc1O ZINC000226616743 640780057 /nfs/dbraw/zinc/78/00/57/640780057.db2.gz VZOKSGXQJOPGNQ-SECBINFHSA-N 1 0 227.279 1.782 20 10 BDCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228074550 640859006 /nfs/dbraw/zinc/85/90/06/640859006.db2.gz OSKJWSZOUHNROG-WDEREUQCSA-N 1 0 235.327 1.871 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C[C@H](C)O)c1 ZINC000228086026 640860115 /nfs/dbraw/zinc/86/01/15/640860115.db2.gz ZFMRZCCVIVUSTI-ZJUUUORDSA-N 1 0 239.315 1.650 20 10 BDCDRO C[C@]1(C(=O)NCc2ccccc2O)CC[NH2+]C1 ZINC000228420658 640874084 /nfs/dbraw/zinc/87/40/84/640874084.db2.gz LWUNGFLQLDLZNZ-ZDUSSCGKSA-N 1 0 234.299 1.008 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000087784956 641038479 /nfs/dbraw/zinc/03/84/79/641038479.db2.gz WNAUBPSVOHZYLE-LLVKDONJSA-N 1 0 207.273 1.579 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000041014223 641539502 /nfs/dbraw/zinc/53/95/02/641539502.db2.gz QIMWIHCWXSVIDB-VIFPVBQESA-N 1 0 247.298 1.975 20 10 BDCDRO COc1cccc(C[N@H+](C)[C@@H]2CCOC2)c1O ZINC000156098252 641592540 /nfs/dbraw/zinc/59/25/40/641592540.db2.gz RGSFCADSDADLGF-LLVKDONJSA-N 1 0 237.299 1.622 20 10 BDCDRO NC(=O)c1coc(C[NH2+]Cc2ccccc2O)c1 ZINC000189404616 641806762 /nfs/dbraw/zinc/80/67/62/641806762.db2.gz PFJWEPMLSASXOX-UHFFFAOYSA-N 1 0 246.266 1.374 20 10 BDCDRO OCCC1(C[NH2+]Cc2cc(F)ccc2O)CC1 ZINC000190307905 641857152 /nfs/dbraw/zinc/85/71/52/641857152.db2.gz QTRBALLDBBONPZ-UHFFFAOYSA-N 1 0 239.290 1.784 20 10 BDCDRO CNC(=O)C[N@H+](C)Cc1cc(C)c(C)cc1O ZINC000916567688 641949872 /nfs/dbraw/zinc/94/98/72/641949872.db2.gz MRVXUUZQBPSMEL-UHFFFAOYSA-N 1 0 236.315 1.187 20 10 BDCDRO Cc1ccc(O)c(CN2CCC[NH2+]CC2)c1 ZINC000070955769 642448888 /nfs/dbraw/zinc/44/88/88/642448888.db2.gz XOKGLGDBICQCPZ-UHFFFAOYSA-N 1 0 220.316 1.496 20 10 BDCDRO c1ncc(C[NH2+]Cc2ccc3c(c2)CCO3)[nH]1 ZINC000112344923 643333927 /nfs/dbraw/zinc/33/39/27/643333927.db2.gz JSUJMTSDOIJYEZ-UHFFFAOYSA-N 1 0 229.283 1.634 20 10 BDCDRO CCOC[C@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000044688775 643548765 /nfs/dbraw/zinc/54/87/65/643548765.db2.gz LVWQLACUQYMQKX-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO OC[C@H]1C[C@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000923006856 644225541 /nfs/dbraw/zinc/22/55/41/644225541.db2.gz GNPPJHCXBAHZGN-JLIMDTESSA-N 1 0 241.718 1.906 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC[C@@H](C)O)c1 ZINC000082992626 644398044 /nfs/dbraw/zinc/39/80/44/644398044.db2.gz VWPVXWQCCLLKNA-SECBINFHSA-N 1 0 225.288 1.261 20 10 BDCDRO C[NH+](C)CCCOC(=O)c1cccc(O)c1O ZINC000195963332 644403643 /nfs/dbraw/zinc/40/36/43/644403643.db2.gz JCZNMGFZMJUSOX-UHFFFAOYSA-N 1 0 239.271 1.206 20 10 BDCDRO CN(C)c1ccc(CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000084184164 644420565 /nfs/dbraw/zinc/42/05/65/644420565.db2.gz NSUKFPLNZVHROG-UHFFFAOYSA-N 1 0 249.358 1.496 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCOC1)c1cc(F)ccc1O ZINC000087784335 644502682 /nfs/dbraw/zinc/50/26/82/644502682.db2.gz ZROBVWDEYMQABN-SCZZXKLOSA-N 1 0 225.263 1.971 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2cnc[nH]2)c1 ZINC000088750719 644527942 /nfs/dbraw/zinc/52/79/42/644527942.db2.gz ZNLVMEQMXSTJDY-VIFPVBQESA-N 1 0 247.298 1.975 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000089745338 644564209 /nfs/dbraw/zinc/56/42/09/644564209.db2.gz UORUVHUZOOQPMK-NSHDSACASA-N 1 0 248.326 1.350 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](C)C2)c1 ZINC000249786308 644741227 /nfs/dbraw/zinc/74/12/27/644741227.db2.gz DMQRZQCTPULYJG-WCQYABFASA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c1O ZINC000250090621 644747412 /nfs/dbraw/zinc/74/74/12/644747412.db2.gz QDTPTECCMUAFOU-AAEUAGOBSA-N 1 0 235.327 1.903 20 10 BDCDRO C[C@H](NC(=O)C[NH+]1CCCC1)c1ccccc1O ZINC000827969828 645089159 /nfs/dbraw/zinc/08/91/59/645089159.db2.gz RVPDITFUWKDDIW-NSHDSACASA-N 1 0 248.326 1.665 20 10 BDCDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000841854893 645231477 /nfs/dbraw/zinc/23/14/77/645231477.db2.gz BRFJEMBAFOEUIL-GFCCVEGCSA-N 1 0 249.358 1.301 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1C ZINC000846046708 645391391 /nfs/dbraw/zinc/39/13/91/645391391.db2.gz NICJXMRYJVHRJD-KLPPZKSPSA-N 1 0 248.326 1.363 20 10 BDCDRO OC[C@H](CCF)[NH2+]Cc1c(O)cccc1Cl ZINC000846096565 645403848 /nfs/dbraw/zinc/40/38/48/645403848.db2.gz IRYVPPGSYCMYGH-QMMMGPOBSA-N 1 0 247.697 1.856 20 10 BDCDRO C[C@@H](O)C[N@H+](Cc1ccccc1O)C1CC1 ZINC000848928621 645445827 /nfs/dbraw/zinc/44/58/27/645445827.db2.gz JCEWOWOPMLVSLJ-SNVBAGLBSA-N 1 0 221.300 1.737 20 10 BDCDRO CC(=O)NCC[N@@H+](C)Cc1ccc(C)cc1O ZINC000877605769 645801475 /nfs/dbraw/zinc/80/14/75/645801475.db2.gz IFFMYIZQXONSEI-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO CC(C)[C@H](CO)C[NH2+]Cc1cc(F)ccc1O ZINC000394031190 711681712 /nfs/dbraw/zinc/68/17/12/711681712.db2.gz CJLZEMSTTVPYAS-NSHDSACASA-N 1 0 241.306 1.885 20 10 BDCDRO CCOc1cccc(CN(C)[C@@H](C)C[NH3+])c1O ZINC000382998406 710976213 /nfs/dbraw/zinc/97/62/13/710976213.db2.gz NPMVRSBOEMBQLP-JTQLQIEISA-N 1 0 238.331 1.570 20 10 BDCDRO CN(Cc1cc(F)ccc1O)C1(C[NH3+])CCC1 ZINC000385110906 711006250 /nfs/dbraw/zinc/00/62/50/711006250.db2.gz CTSAHXQZDNGHER-UHFFFAOYSA-N 1 0 238.306 1.845 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000380671495 712902416 /nfs/dbraw/zinc/90/24/16/712902416.db2.gz BKHCCEXHBXNQMM-MNOVXSKESA-N 1 0 221.348 1.578 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cccc(OC)c1O)[C@H](C)O ZINC000386831405 711036488 /nfs/dbraw/zinc/03/64/88/711036488.db2.gz HVKRROJYBZMLPB-GXSJLCMTSA-N 1 0 239.315 1.650 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC2(F)CC2)c1 ZINC000390600885 711128551 /nfs/dbraw/zinc/12/85/51/711128551.db2.gz BEZASAMANOABAL-UHFFFAOYSA-N 1 0 225.263 1.993 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000395404116 711209932 /nfs/dbraw/zinc/20/99/32/711209932.db2.gz BFNCFSKYSOZHKT-GFCCVEGCSA-N 1 0 248.326 1.302 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC2(N(C)C)CC2)c1 ZINC000398006207 711399502 /nfs/dbraw/zinc/39/95/02/711399502.db2.gz VXFMCQLQHHOJSS-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO CN(C)c1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000398195896 711404486 /nfs/dbraw/zinc/40/44/86/711404486.db2.gz ZDGIIQZASQYDPG-UHFFFAOYSA-N 1 0 247.342 1.250 20 10 BDCDRO C[C@H]1CC[C@@H](NCc2ccccc2O)C[NH2+]1 ZINC000398953716 711417457 /nfs/dbraw/zinc/41/74/57/711417457.db2.gz GAIJVANITSRWKI-CMPLNLGQSA-N 1 0 220.316 1.622 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CC23CC(O)C3)c1O ZINC000724971424 710751265 /nfs/dbraw/zinc/75/12/65/710751265.db2.gz OAFZTRJHIUBWDK-MBHSVXNSSA-N 1 0 233.311 1.704 20 10 BDCDRO CC[C@@H]([NH2+]Cc1cnn(C)n1)c1ccccc1O ZINC000389817906 711090874 /nfs/dbraw/zinc/09/08/74/711090874.db2.gz VAKURPBJHGXLKG-GFCCVEGCSA-N 1 0 246.314 1.762 20 10 BDCDRO CN1CCC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000040673169 711483327 /nfs/dbraw/zinc/48/33/27/711483327.db2.gz XQWICYXHGYRQHE-AWEZNQCLSA-N 1 0 246.354 1.805 20 10 BDCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@@H](C)O ZINC000386712234 711642510 /nfs/dbraw/zinc/64/25/10/711642510.db2.gz PSBIXMMZGFSQIF-PWSUYJOCSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+]C[C@@H]2C)c1 ZINC000722393863 711753414 /nfs/dbraw/zinc/75/34/14/711753414.db2.gz DQHOLLZBCKXPHX-NSHDSACASA-N 1 0 220.316 1.494 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C(=O)NCC2(C)C)c1O ZINC000895317499 711780523 /nfs/dbraw/zinc/78/05/23/711780523.db2.gz WLWUOPPKKIMOCB-LBPRGKRZSA-N 1 0 248.326 1.315 20 10 BDCDRO COCC[N@H+](C)Cc1cc2c(cc1O)CCC2 ZINC000921048686 711882068 /nfs/dbraw/zinc/88/20/68/711882068.db2.gz RHUAFNGERUMGKV-UHFFFAOYSA-N 1 0 235.327 1.959 20 10 BDCDRO CO[C@](C)(CO)C[NH2+][C@@H](C)c1ccccc1O ZINC000702513504 712054268 /nfs/dbraw/zinc/05/42/68/712054268.db2.gz HVTGDXRGRZUGOZ-GWCFXTLKSA-N 1 0 239.315 1.440 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCOCCF)c1 ZINC000702645374 712057867 /nfs/dbraw/zinc/05/78/67/712057867.db2.gz LBIYJJWVKGWNHZ-UHFFFAOYSA-N 1 0 243.278 1.477 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1ccccc1O ZINC000706758076 712153976 /nfs/dbraw/zinc/15/39/76/712153976.db2.gz UCYPRVWXPPAQMV-UFGOTCBOSA-N 1 0 237.299 1.193 20 10 BDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000707670178 712176291 /nfs/dbraw/zinc/17/62/91/712176291.db2.gz RKAJZQSHDUDTFW-DKTWLAJQSA-N 1 0 225.263 1.392 20 10 BDCDRO CCN1CC[C@@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000708663946 712196116 /nfs/dbraw/zinc/19/61/16/712196116.db2.gz BBPZLOTTYKWTCE-ZYHUDNBSSA-N 1 0 248.326 1.664 20 10 BDCDRO CCc1cccc(C[NH2+]CC(=O)NC2CC2)c1O ZINC000709429298 712221834 /nfs/dbraw/zinc/22/18/34/712221834.db2.gz GANATUZKTKYEFM-UHFFFAOYSA-N 1 0 248.326 1.323 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1ccccc1O ZINC000710891873 712261550 /nfs/dbraw/zinc/26/15/50/712261550.db2.gz UAGPAMFQYRYTEK-IRUJWGPZSA-N 1 0 237.299 1.193 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000378671324 712357017 /nfs/dbraw/zinc/35/70/17/712357017.db2.gz KFENYAJECBLODM-CHWSQXEVSA-N 1 0 220.316 1.366 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2O)c(O)c1 ZINC000378756479 712360258 /nfs/dbraw/zinc/36/02/58/712360258.db2.gz YIHBNVSUWHXEJN-MVWJERBFSA-N 1 0 221.300 1.875 20 10 BDCDRO C[C@H]1[NH2+]CCN(Cc2ccc(N(C)C)cc2)[C@@H]1C ZINC000379472683 712385626 /nfs/dbraw/zinc/38/56/26/712385626.db2.gz SYFZBMOIWSHATP-CHWSQXEVSA-N 1 0 247.386 1.935 20 10 BDCDRO C[C@@H]([NH3+])CN(C)Cc1cc(Cl)ccc1O ZINC000379793507 712399353 /nfs/dbraw/zinc/39/93/53/712399353.db2.gz JUOFWLXZINKTNQ-MRVPVSSYSA-N 1 0 228.723 1.825 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@H](C)OC ZINC000390661154 712423318 /nfs/dbraw/zinc/42/33/18/712423318.db2.gz SFVGKMOXWWMZQS-VIFPVBQESA-N 1 0 225.288 1.525 20 10 BDCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(=O)N(C)C ZINC000036794366 712496496 /nfs/dbraw/zinc/49/64/96/712496496.db2.gz CQIVYBDWPLYURD-NXEZZACHSA-N 1 0 236.315 1.520 20 10 BDCDRO C[C@@H]([NH2+]CC(=O)N(C)C)c1ccc(N(C)C)cc1 ZINC000037254255 712560689 /nfs/dbraw/zinc/56/06/89/712560689.db2.gz CFZQIFYCVROCGY-LLVKDONJSA-N 1 0 249.358 1.491 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000037261360 712560722 /nfs/dbraw/zinc/56/07/22/712560722.db2.gz BWNVFQBCNIUVPK-VHSXEESVSA-N 1 0 235.331 1.277 20 10 BDCDRO COC(=O)CCC[NH2+][C@H](C)c1ccccc1O ZINC000037417077 712628951 /nfs/dbraw/zinc/62/89/51/712628951.db2.gz TULYAOTUAKHNAS-SNVBAGLBSA-N 1 0 237.299 1.996 20 10 BDCDRO CCc1cccc(C[NH2+]C/C=C\CO)c1O ZINC000717438265 712657813 /nfs/dbraw/zinc/65/78/13/712657813.db2.gz PAONYJUYNCXZHB-ARJAWSKDSA-N 1 0 221.300 1.593 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720951094 712882171 /nfs/dbraw/zinc/88/21/71/712882171.db2.gz IZZMTCXTFOXUJU-HOMQSWHASA-N 1 0 207.273 1.253 20 10 BDCDRO CN(CC[NH+](C)C)Cc1ccc(O)cc1O ZINC001204273128 966950994 /nfs/dbraw/zinc/95/09/94/966950994.db2.gz ZCLPBWLGIOTZOT-UHFFFAOYSA-N 1 0 224.304 1.091 20 10 BDCDRO C[NH2+]C1(C(=O)NCc2ccccc2O)CCC1 ZINC000310275425 971964879 /nfs/dbraw/zinc/96/48/79/971964879.db2.gz OISDZPYZEAMCHX-UHFFFAOYSA-N 1 0 234.299 1.151 20 10 BDCDRO O[C@@H](C[NH2+]Cc1ccc2c(c1)CCO2)C1CCC1 ZINC000316036701 972259283 /nfs/dbraw/zinc/25/92/83/972259283.db2.gz VNRHHQIXGBYINZ-AWEZNQCLSA-N 1 0 247.338 1.872 20 10 BDCDRO Cc1n[nH]cc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001209557166 957503158 /nfs/dbraw/zinc/50/31/58/957503158.db2.gz OBEVMARGCZFSEV-UHFFFAOYSA-N 1 0 243.310 1.982 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2CCN(C)C2)c1 ZINC000310558400 960189932 /nfs/dbraw/zinc/18/99/32/960189932.db2.gz ZKNIXXYJIORODB-CYBMUJFWSA-N 1 0 234.343 1.837 20 10 BDCDRO CSCC[N@H+](C)Cc1cc(O)ccc1O ZINC001141161180 960414585 /nfs/dbraw/zinc/41/45/85/960414585.db2.gz BCAIYVSRZCDBLO-UHFFFAOYSA-N 1 0 227.329 1.893 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC001140744514 960545789 /nfs/dbraw/zinc/54/57/89/960545789.db2.gz ZZRBNTYXUHWTAE-LLVKDONJSA-N 1 0 237.299 1.363 20 10 BDCDRO Cc1ccc(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001140948296 960750675 /nfs/dbraw/zinc/75/06/75/960750675.db2.gz BXLMRMMFCSCBNV-UHFFFAOYSA-N 1 0 233.311 1.779 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](F)[C@H](O)C2)c(O)c1 ZINC001140947744 960751163 /nfs/dbraw/zinc/75/11/63/960751163.db2.gz DBNNZISFPZWESH-WCQYABFASA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(C[N@H+]2CCCN(C)C(=O)C2)c(O)c1 ZINC001140950961 960758878 /nfs/dbraw/zinc/75/88/78/960758878.db2.gz QTNWEYMIFJAORD-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO CC[N@H+](Cc1ccc(C)cc1O)C1CN(C)C1 ZINC001140954118 960763607 /nfs/dbraw/zinc/76/36/07/960763607.db2.gz MGCAVZGBTJFRMX-UHFFFAOYSA-N 1 0 234.343 1.837 20 10 BDCDRO C[C@@H]1CC[C@H](O)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141156072 960892259 /nfs/dbraw/zinc/89/22/59/960892259.db2.gz DSEXBHVKHNTBJM-SKDRFNHKSA-N 1 0 237.299 1.443 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@]3(CCCO3)C2)c1 ZINC001141156745 960892470 /nfs/dbraw/zinc/89/24/70/960892470.db2.gz TYSCMEINIYTWSH-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO C[N@@H+](Cc1cc(O)ccc1O)CC1COC1 ZINC001141159340 960895122 /nfs/dbraw/zinc/89/51/22/960895122.db2.gz FHGCZCPRLYHXJA-UHFFFAOYSA-N 1 0 223.272 1.176 20 10 BDCDRO CC(C)[N@H+](CCCO)Cc1cc(O)ccc1O ZINC001141159957 960894743 /nfs/dbraw/zinc/89/47/43/960894743.db2.gz NFVNAIAYOVDCRS-UHFFFAOYSA-N 1 0 239.315 1.691 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2ccc(Cl)cc2O)C1 ZINC001204782833 963539917 /nfs/dbraw/zinc/53/99/17/963539917.db2.gz KSFFUMQUYMUOLN-GFCCVEGCSA-N 1 0 240.734 1.969 20 10 BDCDRO Cc1c[nH+]c(NCc2ccc(O)c(O)c2)c(N)c1 ZINC001158997895 963969988 /nfs/dbraw/zinc/96/99/88/963969988.db2.gz SVLCHVIZRAEVET-UHFFFAOYSA-N 1 0 245.282 1.996 20 10 BDCDRO Nc1ccc(NC=C2CC[NH2+]CC2)cc1 ZINC001159485793 964110813 /nfs/dbraw/zinc/11/08/13/964110813.db2.gz RAQDLOXBNCRCSD-UHFFFAOYSA-N 1 0 203.289 1.948 20 10 BDCDRO Cc1ncc(C[NH2+]Cc2ccccc2O)n1C ZINC000689765656 964139873 /nfs/dbraw/zinc/13/98/73/964139873.db2.gz DVLSOLNJIJVVEX-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO CCN(CC)c1ccc(CN2CC([NH2+]C)C2)cc1 ZINC001204706845 964237138 /nfs/dbraw/zinc/23/71/38/964237138.db2.gz OGQKCQJPYDDMCY-UHFFFAOYSA-N 1 0 247.386 1.936 20 10 BDCDRO CC[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC ZINC000697916453 964678266 /nfs/dbraw/zinc/67/82/66/964678266.db2.gz LVBDZPYDOYXYNY-GXSJLCMTSA-N 1 0 236.315 1.567 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2COC[C@@H]2C)c1O ZINC000699792035 966092015 /nfs/dbraw/zinc/09/20/15/966092015.db2.gz VBQQRQYFFYCYBY-ONGXEEELSA-N 1 0 237.299 1.525 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H]1CN ZINC001236252713 966320633 /nfs/dbraw/zinc/32/06/33/966320633.db2.gz PBXCQOKXOBKUPF-LLVKDONJSA-N 1 0 220.316 1.624 20 10 BDCDRO OC[C@@H]1C[C@@H](F)C[N@H+](Cc2ccccc2O)C1 ZINC001203550542 966675608 /nfs/dbraw/zinc/67/56/08/966675608.db2.gz YOYRMYQIVYDFJG-ZYHUDNBSSA-N 1 0 239.290 1.545 20 10 BDCDRO Oc1ccccc1C[NH+]1CC2(CC(O)C2)C1 ZINC001203546980 966679034 /nfs/dbraw/zinc/67/90/34/966679034.db2.gz FLQJDABHNWREBH-UHFFFAOYSA-N 1 0 219.284 1.349 20 10 BDCDRO CCC(=O)N1CC[NH+](Cc2ccccc2O)CC1 ZINC001203547246 966680353 /nfs/dbraw/zinc/68/03/53/966680353.db2.gz JVZZGFPEVJIJHY-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO CN1CC2(C1)CC[N@H+](Cc1ccccc1O)C2 ZINC001203561220 966689789 /nfs/dbraw/zinc/68/97/89/966689789.db2.gz NGVYLPNYDDTGKF-UHFFFAOYSA-N 1 0 232.327 1.530 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H]2C)c1 ZINC001203669950 966734576 /nfs/dbraw/zinc/73/45/76/966734576.db2.gz IRTPWXZOFWSGNI-VIFPVBQESA-N 1 0 207.273 1.995 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)cc1O ZINC001203878547 966805381 /nfs/dbraw/zinc/80/53/81/966805381.db2.gz BPKAHODLTNUFIZ-GXFFZTMASA-N 1 0 235.283 1.319 20 10 BDCDRO OC[C@@H]1CCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874426 966805439 /nfs/dbraw/zinc/80/54/39/966805439.db2.gz XIKZZZVSTWLTQO-LLVKDONJSA-N 1 0 237.299 1.302 20 10 BDCDRO CN(CC[NH+](C)C)Cc1ccc(O)c(O)c1 ZINC001203874358 966806615 /nfs/dbraw/zinc/80/66/15/966806615.db2.gz UYDCXPMRVPODPV-UHFFFAOYSA-N 1 0 224.304 1.091 20 10 BDCDRO CCO[C@@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203881054 966809159 /nfs/dbraw/zinc/80/91/59/966809159.db2.gz LGSOIWKYFCZWEL-LLVKDONJSA-N 1 0 237.299 1.709 20 10 BDCDRO CC[N@H+](Cc1ccc(O)c(O)c1)CC(C)(C)O ZINC001203880295 966809171 /nfs/dbraw/zinc/80/91/71/966809171.db2.gz NKTMFPKNISMZAG-UHFFFAOYSA-N 1 0 239.315 1.691 20 10 BDCDRO CN(C)c1ccc(CN2CC[N@@H+]3CC[C@H]3C2)cc1 ZINC001203937442 966824070 /nfs/dbraw/zinc/82/40/70/966824070.db2.gz YXIZPRJEKJIZCB-HNNXBMFYSA-N 1 0 245.370 1.643 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC001203930234 966824406 /nfs/dbraw/zinc/82/44/06/966824406.db2.gz OZUNIUNADUHXBB-IUODEOHRSA-N 1 0 248.370 1.955 20 10 BDCDRO Oc1ccc(C[N@H+]2CCCC[C@H](O)C2)c(O)c1 ZINC001204276122 966952048 /nfs/dbraw/zinc/95/20/48/966952048.db2.gz HOFMPJUKQPUOBL-LBPRGKRZSA-N 1 0 237.299 1.445 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c(O)c1 ZINC001204276115 966953838 /nfs/dbraw/zinc/95/38/38/966953838.db2.gz HEDIKAGEENRMBW-AOOOYVTPSA-N 1 0 205.257 1.550 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCCCC23COC3)c(O)c1 ZINC001204275493 966955602 /nfs/dbraw/zinc/95/56/02/966955602.db2.gz SVIRDALAZKYRBO-UHFFFAOYSA-N 1 0 249.310 1.853 20 10 BDCDRO CN1CC2(C1)CC[N@H+](Cc1ccc(O)cc1O)C2 ZINC001204277407 966957485 /nfs/dbraw/zinc/95/74/85/966957485.db2.gz DBIGZEOLFAUCML-UHFFFAOYSA-N 1 0 248.326 1.235 20 10 BDCDRO C[N@@H+](Cc1ccc(O)cc1O)CC1COC1 ZINC001204278274 966958858 /nfs/dbraw/zinc/95/88/58/966958858.db2.gz CSSNSJXQZPAHSL-UHFFFAOYSA-N 1 0 223.272 1.176 20 10 BDCDRO CC1([NH3+])CN(Cc2cccc(F)c2O)C1 ZINC001204974116 967269612 /nfs/dbraw/zinc/26/96/12/967269612.db2.gz PTCJKFKFRYEBNA-UHFFFAOYSA-N 1 0 210.252 1.064 20 10 BDCDRO COc1ccc(N2CC[C@@H]([NH3+])C2)c2cc[nH]c21 ZINC001164282176 968209320 /nfs/dbraw/zinc/20/93/20/968209320.db2.gz ULMZEFRMCQGPRQ-SECBINFHSA-N 1 0 231.299 1.714 20 10 BDCDRO CCOC(=O)CC[N@@H+]1CCc2cccc(O)c2C1 ZINC001209035967 969332695 /nfs/dbraw/zinc/33/26/95/969332695.db2.gz FNUGJTLXELNCGT-UHFFFAOYSA-N 1 0 249.310 1.704 20 10 BDCDRO CCc1cccc(C[NH2+][C@H](C)CCO)c1O ZINC000691471927 969993575 /nfs/dbraw/zinc/99/35/75/969993575.db2.gz BKURADCYTIZALB-SNVBAGLBSA-N 1 0 223.316 1.815 20 10 BDCDRO [NH3+]Cc1ccc2c(c1)CCCN2C[C@@H]1CCOC1 ZINC000400561279 970605938 /nfs/dbraw/zinc/60/59/38/970605938.db2.gz LXBLWIQNHXUXIY-ZDUSSCGKSA-N 1 0 246.354 1.934 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CC=CC2)c(O)c1 ZINC001144500636 972848258 /nfs/dbraw/zinc/84/82/58/972848258.db2.gz XDXBGHYYTWXIQA-UHFFFAOYSA-N 1 0 207.229 1.175 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2c(O)cc(O)cc2O)C1 ZINC001144503978 972850170 /nfs/dbraw/zinc/85/01/70/972850170.db2.gz GWRVIJNTARVNJX-SECBINFHSA-N 1 0 239.271 1.024 20 10 BDCDRO Nc1ccc(C[N@H+]2CC[C@H](N)[C@@H](F)CC2)cc1 ZINC001206196911 975127642 /nfs/dbraw/zinc/12/76/42/975127642.db2.gz DZWBEFBNWIVIRZ-STQMWFEESA-N 1 0 237.322 1.530 20 10 BDCDRO Cc1cccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001231594638 977640184 /nfs/dbraw/zinc/64/01/84/977640184.db2.gz MEOXQWAONGJDIH-STQMWFEESA-N 1 0 232.327 1.589 20 10 BDCDRO Cc1cccc(CN2CC([NH+]3CCCC3)C2)c1O ZINC001231592292 977640542 /nfs/dbraw/zinc/64/05/42/977640542.db2.gz IWZUMKCDHINXMT-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO CC(=O)C[N@@H+](C)Cc1cccc(C)c1O ZINC001231591034 977640984 /nfs/dbraw/zinc/64/09/84/977640984.db2.gz QQGHEUYJKDSBLM-UHFFFAOYSA-N 1 0 207.273 1.721 20 10 BDCDRO Cc1cccc(C[NH+]2CC3(CC(O)C3)C2)c1O ZINC001231591169 977643945 /nfs/dbraw/zinc/64/39/45/977643945.db2.gz VEBREUAEMMGEPC-UHFFFAOYSA-N 1 0 233.311 1.657 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001204278203 978930501 /nfs/dbraw/zinc/93/05/01/978930501.db2.gz XXYRMLXYPRDKPX-ZDUSSCGKSA-N 1 0 235.283 1.463 20 10 BDCDRO CCc1ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235081223 978971812 /nfs/dbraw/zinc/97/18/12/978971812.db2.gz DNBUKSVDRPIOPF-ZIAGYGMSSA-N 1 0 246.354 1.891 20 10 BDCDRO CN(C)c1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235976295 979245465 /nfs/dbraw/zinc/24/54/65/979245465.db2.gz AQUPKDDHTXAGII-UKRRQHHQSA-N 1 0 245.370 1.676 20 10 BDCDRO Cc1ccc(CN2C[C@@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235988511 979268327 /nfs/dbraw/zinc/26/83/27/979268327.db2.gz GQCJOZMCNVJSAL-JSGCOSHPSA-N 1 0 232.327 1.624 20 10 BDCDRO Oc1cccc(Cl)c1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236284299 979487089 /nfs/dbraw/zinc/48/70/89/979487089.db2.gz HPODOOJWWVWVKU-KWQFWETISA-N 1 0 238.718 1.449 20 10 BDCDRO CCOc1ccc(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236292575 979498254 /nfs/dbraw/zinc/49/82/54/979498254.db2.gz NJPCPABLYJLNLT-DGCLKSJQSA-N 1 0 248.326 1.195 20 10 BDCDRO CCc1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001236789625 979729606 /nfs/dbraw/zinc/72/96/06/979729606.db2.gz BVEIBNRQBNTTBZ-STQMWFEESA-N 1 0 233.311 1.928 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@@H](CO)[C@H]1C ZINC001237484817 979908989 /nfs/dbraw/zinc/90/89/89/979908989.db2.gz IBZIESBYFMGYNI-NEPJUHHUSA-N 1 0 235.327 1.903 20 10 BDCDRO CO[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@@H]1F ZINC001237485787 979911657 /nfs/dbraw/zinc/91/16/57/979911657.db2.gz SJZPCMFRJGTCBB-WCQYABFASA-N 1 0 239.290 1.869 20 10 BDCDRO CCOC(=O)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC001237490205 979918430 /nfs/dbraw/zinc/91/84/30/979918430.db2.gz RXEOXQRGLHKYSW-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H]1CCN(C)C1 ZINC001237488999 979919729 /nfs/dbraw/zinc/91/97/29/979919729.db2.gz BJNPUDWVWOEOCD-LBPRGKRZSA-N 1 0 234.343 1.837 20 10 BDCDRO Cc1cccc(O)c1CN1CC([NH+]2CCCC2)C1 ZINC001237490047 979919924 /nfs/dbraw/zinc/91/99/24/979919924.db2.gz PJPUYUNVGQAOGH-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO CN(C(=O)CC(C)(C)C[NH3+])c1ccc(N)cc1 ZINC001344368934 980376125 /nfs/dbraw/zinc/37/61/25/980376125.db2.gz OALJRKCONWPRNT-UHFFFAOYSA-N 1 0 235.331 1.607 20 10 BDCDRO C[NH2+]C1(C(=O)N(C)c2ccc(N)cc2)CCC1 ZINC001344368455 980376443 /nfs/dbraw/zinc/37/64/43/980376443.db2.gz KKGBWOJZUKUZNT-UHFFFAOYSA-N 1 0 233.315 1.374 20 10 BDCDRO Nc1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC001346222049 980788318 /nfs/dbraw/zinc/78/83/18/980788318.db2.gz VPDFAQRRXGUXQH-UHFFFAOYSA-N 1 0 247.342 1.547 20 10 BDCDRO Oc1c(F)cccc1CN1C[C@H]2CC[NH2+]C[C@H]21 ZINC001580887996 981720771 /nfs/dbraw/zinc/72/07/71/981720771.db2.gz CONOIZZMRDCIEO-BXKDBHETSA-N 1 0 236.290 1.325 20 10 BDCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@@H]1CCOC1 ZINC001203882606 982585548 /nfs/dbraw/zinc/58/55/48/982585548.db2.gz NKHOHTODDYWBBN-SNVBAGLBSA-N 1 0 223.272 1.319 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CO[C@H](C)C2)c(O)c1 ZINC000877608212 983956752 /nfs/dbraw/zinc/95/67/52/983956752.db2.gz RMPDYCVKXDRFNL-ZYHUDNBSSA-N 1 0 221.300 1.968 20 10 BDCDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N)cc1 ZINC001578832585 985405897 /nfs/dbraw/zinc/40/58/97/985405897.db2.gz DPXFUDYEVPOIPE-OLZOCXBDSA-N 1 0 248.326 1.700 20 10 BDCDRO COCC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000691859290 985700940 /nfs/dbraw/zinc/70/09/40/985700940.db2.gz NLVHSEVFTCJMLC-UHFFFAOYSA-N 1 0 221.300 1.908 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718251686 985840986 /nfs/dbraw/zinc/84/09/86/985840986.db2.gz SLFQFJAPZOQHOV-PHIMTYICSA-N 1 0 237.274 1.610 20 10 BDCDRO COc1cc(C)c(C[NH2+]C/C=C/CO)c(O)c1 ZINC001462417928 986381692 /nfs/dbraw/zinc/38/16/92/986381692.db2.gz JHUWYZKSGDVYOB-ONEGZZNKSA-N 1 0 237.299 1.347 20 10 BDCDRO C[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC001473429585 987432466 /nfs/dbraw/zinc/43/24/66/987432466.db2.gz XIMMUXNIYOWPNN-GXTWGEPZSA-N 1 0 248.370 1.955 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001515332341 989027267 /nfs/dbraw/zinc/02/72/67/989027267.db2.gz JKLRMFSLQDLKBS-NWDGAFQWSA-N 1 0 247.342 1.258 20 10 BDCDRO C[NH2+]C1(C(=O)N[C@@H](C)c2ccccc2O)CCC1 ZINC001522344078 989848620 /nfs/dbraw/zinc/84/86/20/989848620.db2.gz SUKXIRYJOVNSQN-JTQLQIEISA-N 1 0 248.326 1.712 20 10 BDCDRO Cc1cc(C[N@@H+]2CC[C@@H](O)C2)ccc1N(C)C ZINC001139670167 990805544 /nfs/dbraw/zinc/80/55/44/990805544.db2.gz YSYPBJQPPHRDFR-CYBMUJFWSA-N 1 0 234.343 1.628 20 10 BDCDRO Cc1c(C[NH+]2CC(CO)C2)c2ccccc2n1C ZINC001138256580 990906634 /nfs/dbraw/zinc/90/66/34/990906634.db2.gz BNTBHKLYJSGXBL-UHFFFAOYSA-N 1 0 244.338 1.911 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CC3(COC3)C2)c1O ZINC001140178343 991549068 /nfs/dbraw/zinc/54/90/68/991549068.db2.gz IVZJATASRUCFBM-UHFFFAOYSA-N 1 0 233.311 1.841 20 10 BDCDRO COc1cc(C)c(C[NH2+][C@H]2C[C@@H](O)C2)c(O)c1 ZINC001560888884 991642351 /nfs/dbraw/zinc/64/23/51/991642351.db2.gz HTCYIRFZYBFMES-AOOOYVTPSA-N 1 0 237.299 1.322 20 10 BDCDRO Oc1cc(Cl)ccc1C[N@H+]1CC[C@@H](O)C1 ZINC001140460990 991644508 /nfs/dbraw/zinc/64/45/08/991644508.db2.gz ALNZSMHDLIHBRX-SNVBAGLBSA-N 1 0 227.691 1.612 20 10 BDCDRO C[C@@H]1[C@H](C(=O)NCc2ccc(N)cc2)CC[N@@H+]1C ZINC001263303661 993215679 /nfs/dbraw/zinc/21/56/79/993215679.db2.gz DDCINMRPDFUTMG-ZWNOBZJWSA-N 1 0 247.342 1.225 20 10 BDCDRO CC1(C)[C@H]([NH2+]Cc2cccc(F)c2[O-])C[C@@H]1[NH3+] ZINC001576380059 993286243 /nfs/dbraw/zinc/28/62/43/993286243.db2.gz GHZHYDPRQFBPFX-WDEREUQCSA-N 1 0 238.306 1.747 20 10 BDCDRO C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(N)cc2)C1 ZINC001576728971 993405416 /nfs/dbraw/zinc/40/54/16/993405416.db2.gz BBBDFUXJHAJGAO-LLVKDONJSA-N 1 0 247.342 1.227 20 10 BDCDRO Nc1ccc(C[NH+]2CCC(CCO)CC2)cc1 ZINC000146385578 342769046 /nfs/dbraw/zinc/76/90/46/342769046.db2.gz HLHMDSSVCDMDCY-UHFFFAOYSA-N 1 0 234.343 1.863 20 10 BDCDRO CN(C)c1ccc(CN2CCC[C@@H]([NH3+])C2)cc1 ZINC000020215727 342977791 /nfs/dbraw/zinc/97/77/91/342977791.db2.gz PWDDGNYRIOGBQC-CYBMUJFWSA-N 1 0 233.359 1.676 20 10 BDCDRO CCOc1cccc(C[NH2+][C@H](C)CO)c1O ZINC000035603283 343299740 /nfs/dbraw/zinc/29/97/40/343299740.db2.gz PSOQUSGHYPBGOA-SECBINFHSA-N 1 0 225.288 1.261 20 10 BDCDRO C[C@@H](Cn1cccn1)[NH2+]Cc1ccccc1O ZINC000037154845 343336963 /nfs/dbraw/zinc/33/69/63/343336963.db2.gz YRWXLBVHCCMDJV-NSHDSACASA-N 1 0 231.299 1.767 20 10 BDCDRO Cc1cccc(C[NH+]2CC3(C2)CCOC3)c1O ZINC000293883168 179074949 /nfs/dbraw/zinc/07/49/49/179074949.db2.gz DFENHQXUOFTPFV-UHFFFAOYSA-N 1 0 233.311 1.923 20 10 BDCDRO Cc1cccc(C[N@H+]2CCNC(=O)C[C@H]2C)c1O ZINC000368132322 179076459 /nfs/dbraw/zinc/07/64/59/179076459.db2.gz FSHZBPKCQXQLPP-LLVKDONJSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](O)C2)c1O ZINC000132492013 179082693 /nfs/dbraw/zinc/08/26/93/179082693.db2.gz DHQPWWPBARCWJI-NSHDSACASA-N 1 0 207.273 1.267 20 10 BDCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000637931316 351807742 /nfs/dbraw/zinc/80/77/42/351807742.db2.gz IZCMZISLGXYTSS-NSHDSACASA-N 1 0 234.274 1.836 20 10 BDCDRO NC(=O)C1CC[NH+](Cc2ccccc2O)CC1 ZINC000084847087 181217404 /nfs/dbraw/zinc/21/74/04/181217404.db2.gz WXMGARHXHXPUGE-UHFFFAOYSA-N 1 0 234.299 1.090 20 10 BDCDRO CCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000063730662 169080718 /nfs/dbraw/zinc/08/07/18/169080718.db2.gz NKHHWAFZBCYECX-UHFFFAOYSA-N 1 0 223.272 1.963 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CCCC[C@H]1O ZINC000226608291 183274675 /nfs/dbraw/zinc/27/46/75/183274675.db2.gz YPARGYYZSKQJEB-WCQYABFASA-N 1 0 239.290 1.924 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@H]1CC[C@H](O)CC1 ZINC000272506145 183275538 /nfs/dbraw/zinc/27/55/38/183275538.db2.gz WJMQZKZCYZWVQO-HAQNSBGRSA-N 1 0 239.290 1.924 20 10 BDCDRO Oc1ccccc1C[NH2+]CC1=CCCOC1 ZINC000124682722 183301433 /nfs/dbraw/zinc/30/14/33/183301433.db2.gz FBJHURLPWUOHCX-UHFFFAOYSA-N 1 0 219.284 1.829 20 10 BDCDRO Oc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000038005679 183303123 /nfs/dbraw/zinc/30/31/23/183303123.db2.gz XMVPDNZHGCFIDG-UHFFFAOYSA-N 1 0 203.245 1.405 20 10 BDCDRO c1cc(C[NH2+]C2CCOCC2)cc2c1OCC2 ZINC000037363107 183368520 /nfs/dbraw/zinc/36/85/20/183368520.db2.gz AUBWQIZATNDGKJ-UHFFFAOYSA-N 1 0 233.311 1.890 20 10 BDCDRO CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1O ZINC000295197003 169273455 /nfs/dbraw/zinc/27/34/55/169273455.db2.gz OSMPLVYVTDRDIA-JTQLQIEISA-N 1 0 236.315 1.397 20 10 BDCDRO CCN(CC[NH3+])c1ccc(OC)c(OC)c1 ZINC000020239431 169839283 /nfs/dbraw/zinc/83/92/83/169839283.db2.gz AYDKMPCGPORFEN-UHFFFAOYSA-N 1 0 224.304 1.489 20 10 BDCDRO CC[C@@H](COC)[NH2+]Cc1ccccc1O ZINC000070625069 383943714 /nfs/dbraw/zinc/94/37/14/383943714.db2.gz WCUWUYYMGRCPAH-NSHDSACASA-N 1 0 209.289 1.907 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000070955054 384143073 /nfs/dbraw/zinc/14/30/73/384143073.db2.gz UGYSWHDGXQEKOV-NSHDSACASA-N 1 0 209.289 1.561 20 10 BDCDRO C[C@H](CCO)[NH2+][C@@H](C)c1ccccc1O ZINC000132432979 384190578 /nfs/dbraw/zinc/19/05/78/384190578.db2.gz HATLBZPDAXAMOR-ZJUUUORDSA-N 1 0 209.289 1.814 20 10 BDCDRO C[C@H](CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000083552153 384311079 /nfs/dbraw/zinc/31/10/79/384311079.db2.gz RFRDYXZNKKLEBY-QMMMGPOBSA-N 1 0 229.707 1.764 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CO)c1 ZINC000035629074 384417349 /nfs/dbraw/zinc/41/73/49/384417349.db2.gz RIBKYERJTKUHEX-UWVGGRQHSA-N 1 0 209.289 1.732 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]CCCO)c1 ZINC000035628919 384419346 /nfs/dbraw/zinc/41/93/46/384419346.db2.gz SKGOBVOLVAGQKA-SNVBAGLBSA-N 1 0 209.289 1.734 20 10 BDCDRO COc1ccc(C[NH2+]CC[C@H](C)O)cc1C ZINC000078781460 384464067 /nfs/dbraw/zinc/46/40/67/384464067.db2.gz KRZRFUSESYPUOQ-NSHDSACASA-N 1 0 223.316 1.864 20 10 BDCDRO CC[C@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000020194905 384592323 /nfs/dbraw/zinc/59/23/23/384592323.db2.gz PFCWRTFIVYPSDM-VHSXEESVSA-N 1 0 209.289 1.814 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000020194902 384592476 /nfs/dbraw/zinc/59/24/76/384592476.db2.gz PFCWRTFIVYPSDM-UWVGGRQHSA-N 1 0 209.289 1.814 20 10 BDCDRO CC(C)(CO)[NH2+]Cc1cc(Cl)ccc1O ZINC000020196587 384596228 /nfs/dbraw/zinc/59/62/28/384596228.db2.gz QLIFVOSOHQTKRM-UHFFFAOYSA-N 1 0 229.707 1.906 20 10 BDCDRO C[C@H](O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000082992609 384734310 /nfs/dbraw/zinc/73/43/10/384734310.db2.gz QNIYSYGPAIQBHS-UWVGGRQHSA-N 1 0 209.289 1.814 20 10 BDCDRO COC[C@H](CO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000234823019 384871838 /nfs/dbraw/zinc/87/18/38/384871838.db2.gz WHBSTPBZUBAACS-WPRPVWTQSA-N 1 0 243.278 1.189 20 10 BDCDRO CC[C@H](O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000163988979 384894625 /nfs/dbraw/zinc/89/46/25/384894625.db2.gz SGYYXRHVLZMHHR-ZJUUUORDSA-N 1 0 239.315 1.822 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)CO)c1cc(F)ccc1O ZINC000087111365 385074428 /nfs/dbraw/zinc/07/44/28/385074428.db2.gz KYKZMGFKYQAOSP-JGVFFNPUSA-N 1 0 213.252 1.563 20 10 BDCDRO C[N@H+](CC(=O)NC1CC1)Cc1ccccc1O ZINC000109771043 385190023 /nfs/dbraw/zinc/19/00/23/385190023.db2.gz BZZORYJVJIBNQZ-UHFFFAOYSA-N 1 0 234.299 1.103 20 10 BDCDRO CC[C@H]([NH2+]CCO)c1ccc(C)cc1O ZINC000279988726 385242719 /nfs/dbraw/zinc/24/27/19/385242719.db2.gz FEHVKSCHTZTDLB-NSHDSACASA-N 1 0 209.289 1.734 20 10 BDCDRO C[C@H](CC[S@](C)=O)[NH2+]Cc1ccccc1O ZINC000131297757 385324233 /nfs/dbraw/zinc/32/42/33/385324233.db2.gz RIHUFTMVZIWJMN-QLJPJBMISA-N 1 0 241.356 1.639 20 10 BDCDRO CO[C@@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000191202123 385291811 /nfs/dbraw/zinc/29/18/11/385291811.db2.gz VSRIFYVAPMRJBL-JTQLQIEISA-N 1 0 221.300 1.746 20 10 BDCDRO COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000193500037 385399312 /nfs/dbraw/zinc/39/93/12/385399312.db2.gz ZBIUMUBHKAQFHO-CMPLNLGQSA-N 1 0 249.310 1.824 20 10 BDCDRO CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000156069266 385434161 /nfs/dbraw/zinc/43/41/61/385434161.db2.gz KDLUGPITGMXEEF-CYBMUJFWSA-N 1 0 234.343 1.918 20 10 BDCDRO COC(=O)CN(C)Cc1cccc(Cl)c1[O-] ZINC000179710335 385486210 /nfs/dbraw/zinc/48/62/10/385486210.db2.gz FYHRQNVMLRRPKN-UHFFFAOYSA-N 1 0 243.690 1.650 20 10 BDCDRO C[C@@H](O)CC[N@H+](C)Cc1cc(F)ccc1O ZINC000180170363 385509730 /nfs/dbraw/zinc/50/97/30/385509730.db2.gz OAWOHJLFBNFHAK-SECBINFHSA-N 1 0 227.279 1.734 20 10 BDCDRO CCOc1ccc(O)c(C[N@H+](CC)CCO)c1 ZINC000271003239 385770276 /nfs/dbraw/zinc/77/02/76/385770276.db2.gz MAMHUHFLXVDKPK-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000294785023 385896027 /nfs/dbraw/zinc/89/60/27/385896027.db2.gz OATZHPNBOJRRKX-QWHCGFSZSA-N 1 0 247.342 1.841 20 10 BDCDRO CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000294785019 385896119 /nfs/dbraw/zinc/89/61/19/385896119.db2.gz OATZHPNBOJRRKX-OLZOCXBDSA-N 1 0 247.342 1.841 20 10 BDCDRO CC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000096810804 385988516 /nfs/dbraw/zinc/98/85/16/385988516.db2.gz ZQIQVTGJWSRKSB-UHFFFAOYSA-N 1 0 209.245 1.573 20 10 BDCDRO COC[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000234841121 386105591 /nfs/dbraw/zinc/10/55/91/386105591.db2.gz VDEGACKVQUGGBT-ZJUUUORDSA-N 1 0 225.288 1.050 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CCC(N)=O)cc1 ZINC000274024406 386061259 /nfs/dbraw/zinc/06/12/59/386061259.db2.gz BHFQHEDJEWWTMK-UHFFFAOYSA-N 1 0 235.331 1.060 20 10 BDCDRO CC[N@H+](CCCO)Cc1ccc(N(C)C)cc1 ZINC000263882911 386188916 /nfs/dbraw/zinc/18/89/16/386188916.db2.gz JXUQYVVCCHUNPN-UHFFFAOYSA-N 1 0 236.359 1.957 20 10 BDCDRO CCN(C)CC[NH2+]Cc1cc(F)ccc1O ZINC000226588209 386341746 /nfs/dbraw/zinc/34/17/46/386341746.db2.gz UOGYSLNPOPUEKK-UHFFFAOYSA-N 1 0 226.295 1.573 20 10 BDCDRO Cn1cc(CC[NH2+]Cc2cc(F)ccc2O)cn1 ZINC000226585650 386335949 /nfs/dbraw/zinc/33/59/49/386335949.db2.gz CYROSHUHTSRCQP-UHFFFAOYSA-N 1 0 249.289 1.597 20 10 BDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@H](C)c1ccccc1O ZINC000290214424 386407946 /nfs/dbraw/zinc/40/79/46/386407946.db2.gz QFSQDXWWDBEWHG-CDMKHQONSA-N 1 0 237.299 1.457 20 10 BDCDRO COC[C@](C)(CCO)[NH2+]Cc1ccccc1O ZINC000267315742 386527825 /nfs/dbraw/zinc/52/78/25/386527825.db2.gz DGVNNBVFUNXFSM-ZDUSSCGKSA-N 1 0 239.315 1.269 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000296026753 386704558 /nfs/dbraw/zinc/70/45/58/386704558.db2.gz SMCBTWJNNKXQTI-MXWKQRLJSA-N 1 0 221.300 1.875 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C(C)(C)C2)c1 ZINC000280554036 386821407 /nfs/dbraw/zinc/82/14/07/386821407.db2.gz UIJVOCZEQYAMMZ-CYBMUJFWSA-N 1 0 235.327 1.903 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000293526396 386828468 /nfs/dbraw/zinc/82/84/68/386828468.db2.gz IZAYXDLWEPKWIK-CQSZACIVSA-N 1 0 234.343 1.973 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000368351291 386965101 /nfs/dbraw/zinc/96/51/01/386965101.db2.gz DIGYKMACIXAGDB-ITGUQSILSA-N 1 0 233.311 1.371 20 10 BDCDRO CN(C)c1ccc(C2=CC[N@H+](CCO)C2)cc1 ZINC000374326163 387442472 /nfs/dbraw/zinc/44/24/72/387442472.db2.gz RYSRUAMRJCGOEB-UHFFFAOYSA-N 1 0 232.327 1.444 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]Cc2cnnn2C)c1 ZINC000287278495 387403439 /nfs/dbraw/zinc/40/34/39/387403439.db2.gz JMKOKWGKZMXXNU-SNVBAGLBSA-N 1 0 246.314 1.680 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]CC1COC1)CC2 ZINC000528032177 387833669 /nfs/dbraw/zinc/83/36/69/387833669.db2.gz XJZPUHMHCNBTRQ-NSHDSACASA-N 1 0 219.284 1.616 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c(O)c1 ZINC000296084268 388416642 /nfs/dbraw/zinc/41/66/42/388416642.db2.gz XNSYNCIFKLTXEW-IRUJWGPZSA-N 1 0 237.299 1.111 20 10 BDCDRO O=C1NCCC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296267219 388419759 /nfs/dbraw/zinc/41/97/59/388419759.db2.gz DMRSSOIAAXOKTO-MNOVXSKESA-N 1 0 246.310 1.248 20 10 BDCDRO CC[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000229967812 388806443 /nfs/dbraw/zinc/80/64/43/388806443.db2.gz SSZWIXLXZWTGJI-QMMMGPOBSA-N 1 0 229.707 1.906 20 10 BDCDRO C[NH2+]Cc1ccc(N2CCN(C)CC2)c(F)c1 ZINC000034823180 132337050 /nfs/dbraw/zinc/33/70/50/132337050.db2.gz KIJMWZVYXHNXQF-UHFFFAOYSA-N 1 0 237.322 1.297 20 10 BDCDRO C[N@H+](CC(=O)N1CCC1)Cc1ccccc1O ZINC000264584269 397921614 /nfs/dbraw/zinc/92/16/14/397921614.db2.gz DKUSUXQIAAHVMJ-UHFFFAOYSA-N 1 0 234.299 1.056 20 10 BDCDRO CC[N@H+](CCO)Cc1ccc(N(C)C)c(C)c1 ZINC000293139294 398113003 /nfs/dbraw/zinc/11/30/03/398113003.db2.gz QGWMDFSZGGWAEK-UHFFFAOYSA-N 1 0 236.359 1.875 20 10 BDCDRO CC1(C[NH2+]Cc2cc(F)ccc2O)COC1 ZINC000226608272 168042288 /nfs/dbraw/zinc/04/22/88/168042288.db2.gz OQYMGYSKCMPEHJ-UHFFFAOYSA-N 1 0 225.263 1.657 20 10 BDCDRO CC1(C[NH2+][C@H]2CCc3cccc(O)c32)OCCO1 ZINC000296660744 168046362 /nfs/dbraw/zinc/04/63/62/168046362.db2.gz FDQVOYXBEWMOHE-NSHDSACASA-N 1 0 249.310 1.732 20 10 BDCDRO COC[C@H](O)C[NH2+]Cc1cc(C)c(C)cc1O ZINC000282607926 411455454 /nfs/dbraw/zinc/45/54/54/411455454.db2.gz IJZAXUUIVKMGOY-GFCCVEGCSA-N 1 0 239.315 1.106 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000071407099 170094896 /nfs/dbraw/zinc/09/48/96/170094896.db2.gz RFGHMZXROOWQOT-JTQLQIEISA-N 1 0 236.315 1.315 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000091545525 172877980 /nfs/dbraw/zinc/87/79/80/172877980.db2.gz AKGMIZGFTKWHHO-JQWIXIFHSA-N 1 0 248.326 1.478 20 10 BDCDRO CN1CCC[C@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226587854 173057558 /nfs/dbraw/zinc/05/75/58/173057558.db2.gz QRXSGDDHOYMHBM-LBPRGKRZSA-N 1 0 238.306 1.715 20 10 BDCDRO CNC(=O)CC[N@H+](C)Cc1cc(C)ccc1O ZINC000179412366 173249534 /nfs/dbraw/zinc/24/95/34/173249534.db2.gz VTCHEMMGSDNAQP-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO CNC(=O)[C@@]1(C)CC[N@H+](Cc2ccccc2O)C1 ZINC000228099597 173300468 /nfs/dbraw/zinc/30/04/68/173300468.db2.gz XNAHWMJRMPYMGI-AWEZNQCLSA-N 1 0 248.326 1.350 20 10 BDCDRO COCC[C@@H](CO)[NH2+][C@@H](C)c1ccccc1O ZINC000281541122 174389950 /nfs/dbraw/zinc/38/99/50/174389950.db2.gz IQXSFCLNWLHEFE-QWRGUYRKSA-N 1 0 239.315 1.440 20 10 BDCDRO COc1ccc(C[NH2+][C@H](C)CCO)cc1C ZINC000096811713 175110690 /nfs/dbraw/zinc/11/06/90/175110690.db2.gz JZWQQYLOIBFNIM-LLVKDONJSA-N 1 0 223.316 1.864 20 10 BDCDRO COc1ccc(O)c(C[N@@H+](C)C[C@H](C)OC)c1 ZINC000289649715 175157432 /nfs/dbraw/zinc/15/74/32/175157432.db2.gz MTLAAJYCEUUOGK-JTQLQIEISA-N 1 0 239.315 1.868 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C(C)(C)CCO)c1 ZINC000164702745 175158141 /nfs/dbraw/zinc/15/81/41/175158141.db2.gz RKEZHKBQDFYASJ-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c1 ZINC000375286501 175158269 /nfs/dbraw/zinc/15/82/69/175158269.db2.gz JOMKAOAHLXWGQQ-CYBMUJFWSA-N 1 0 249.310 1.358 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)CCO)c1 ZINC000132435069 175159961 /nfs/dbraw/zinc/15/99/61/175159961.db2.gz KVZYOEUWXVLTME-ZJUUUORDSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)CCO)c1 ZINC000132434853 175160618 /nfs/dbraw/zinc/16/06/18/175160618.db2.gz KVZYOEUWXVLTME-UWVGGRQHSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@H](O)C3(CC3)C2)c1O ZINC000375285419 175261835 /nfs/dbraw/zinc/26/18/35/175261835.db2.gz BLMQQWHMYBISHC-LBPRGKRZSA-N 1 0 249.310 1.358 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H](C)N(C)C)c1O ZINC000038088871 175265002 /nfs/dbraw/zinc/26/50/02/175265002.db2.gz XBVMRTKZODUYEA-SNVBAGLBSA-N 1 0 238.331 1.441 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CCOC2)c1O ZINC000087784615 175266733 /nfs/dbraw/zinc/26/67/33/175266733.db2.gz YZAXLUWBVRWCBL-SNVBAGLBSA-N 1 0 223.272 1.279 20 10 BDCDRO C[C@H](O)[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000272522034 177015929 /nfs/dbraw/zinc/01/59/29/177015929.db2.gz LLUSNCXLJKZVMF-JSGCOSHPSA-N 1 0 248.370 1.955 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+]CC1COC1)CC2 ZINC000528032176 262904144 /nfs/dbraw/zinc/90/41/44/262904144.db2.gz XJZPUHMHCNBTRQ-LLVKDONJSA-N 1 0 219.284 1.616 20 10 BDCDRO C[NH2+]CCNCc1cc(Cl)ccc1O ZINC000841035652 587937562 /nfs/dbraw/zinc/93/75/62/587937562.db2.gz LNICOAVXBCCQQU-UHFFFAOYSA-N 1 0 214.696 1.355 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccccc1O)[C@@H]1CCOC1 ZINC000127042422 491132064 /nfs/dbraw/zinc/13/20/64/491132064.db2.gz UKCTUNZLCHDHGP-ZYHUDNBSSA-N 1 0 221.300 1.907 20 10 BDCDRO C[C@@H](NC(=O)NC[C@H](C)[NH3+])c1ccccc1O ZINC000892104129 582792290 /nfs/dbraw/zinc/79/22/90/582792290.db2.gz VZLQIPPKRYBARI-DTWKUNHWSA-N 1 0 237.303 1.100 20 10 BDCDRO COc1cccc(O)c1C[NH+]1CCCC1 ZINC000725844484 582900284 /nfs/dbraw/zinc/90/02/84/582900284.db2.gz ZLLZDXPRMWRYKP-UHFFFAOYSA-N 1 0 207.273 1.997 20 10 BDCDRO CON(C)CC[NH2+][C@@H](C)c1ccc(C)cc1O ZINC000850479392 582919423 /nfs/dbraw/zinc/91/94/23/582919423.db2.gz RPSRCEUTAPKAGV-NSHDSACASA-N 1 0 238.331 1.844 20 10 BDCDRO CN1CCCc2cc(C[NH2+][C@H]3CCOC3)ccc21 ZINC000075186317 536396982 /nfs/dbraw/zinc/39/69/82/536396982.db2.gz WGLGTCASJKQVAR-AWEZNQCLSA-N 1 0 246.354 1.948 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1cccc(F)c1O ZINC000853248812 588728823 /nfs/dbraw/zinc/72/88/23/588728823.db2.gz KJLGMMHKAVTBTG-QMMMGPOBSA-N 1 0 212.268 1.229 20 10 BDCDRO COCC[C@@H](C)[NH2+]Cc1cccc(OC)c1O ZINC000112018151 588780244 /nfs/dbraw/zinc/78/02/44/588780244.db2.gz QYDBBYNGCVVGNN-SNVBAGLBSA-N 1 0 239.315 1.915 20 10 BDCDRO C[C@H](NCC12CC(C1)C[NH2+]2)c1ccccc1O ZINC000854226688 588780536 /nfs/dbraw/zinc/78/05/36/588780536.db2.gz JWKPXEGQQAGDSS-IFQILLTASA-N 1 0 232.327 1.795 20 10 BDCDRO C[NH2+]C[C@H](C)N[C@@H](C)c1cc(F)ccc1O ZINC000854231700 588781183 /nfs/dbraw/zinc/78/11/83/588781183.db2.gz JYUAWASRADADPQ-IUCAKERBSA-N 1 0 226.295 1.790 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1cc(C)ccc1O ZINC000854233094 588781536 /nfs/dbraw/zinc/78/15/36/588781536.db2.gz XMEXQAOZVZJPAM-GHMZBOCLSA-N 1 0 222.332 1.959 20 10 BDCDRO C[C@H](CCNC(=O)C1=CC(=O)CS1)[NH+](C)C ZINC000855417658 588832245 /nfs/dbraw/zinc/83/22/45/588832245.db2.gz MHAGKMSWWQZGSN-MRVPVSSYSA-N 1 0 242.344 1.524 20 10 BDCDRO C[C@@H](CCO)[N@H+](C)Cc1ccc(N(C)C)cc1 ZINC000844448563 582588275 /nfs/dbraw/zinc/58/82/75/582588275.db2.gz GDZHGKDGVKHMMC-LBPRGKRZSA-N 1 0 236.359 1.955 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)cc1C ZINC000783731880 582961489 /nfs/dbraw/zinc/96/14/89/582961489.db2.gz AARJBZIAUXNVOL-HIFRSBDPSA-N 1 0 247.338 1.823 20 10 BDCDRO C[NH2+][C@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000219862870 583175872 /nfs/dbraw/zinc/17/58/72/583175872.db2.gz ZBDLGTPZNMLHKF-LBPRGKRZSA-N 1 0 238.306 1.715 20 10 BDCDRO C[C@@H](O)CC[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000114771303 588882093 /nfs/dbraw/zinc/88/20/93/588882093.db2.gz BBFYYZHZMZVTIQ-SNVBAGLBSA-N 1 0 240.322 1.752 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]CC[C@H](C)O)c1 ZINC000114770881 588882331 /nfs/dbraw/zinc/88/23/31/588882331.db2.gz YRFZEKLQJZBIQC-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c(O)c1 ZINC000877461716 583314418 /nfs/dbraw/zinc/31/44/18/583314418.db2.gz JLJXSVJWXOLFLU-OCCSQVGLSA-N 1 0 233.311 1.515 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H]3CN(C)C[C@@H]32)c1O ZINC000814173160 583342581 /nfs/dbraw/zinc/34/25/81/583342581.db2.gz HDIXITNLYCAHNU-OCCSQVGLSA-N 1 0 246.354 1.837 20 10 BDCDRO C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1O ZINC000126770143 583353255 /nfs/dbraw/zinc/35/32/55/583353255.db2.gz DGUZVOCCOSGBTH-MNOVXSKESA-N 1 0 220.316 1.561 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](CO)C1CC1 ZINC000894274112 583404623 /nfs/dbraw/zinc/40/46/23/583404623.db2.gz SHNXVVVXTFWTKD-LBPRGKRZSA-N 1 0 221.300 1.561 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COCO2)cc1 ZINC000894868903 583538879 /nfs/dbraw/zinc/53/88/79/583538879.db2.gz NOLBDLRGXJUIJH-ZDUSSCGKSA-N 1 0 236.315 1.215 20 10 BDCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000895785198 583727271 /nfs/dbraw/zinc/72/72/71/583727271.db2.gz RRHJZEIUDMZESB-SCDSUCTJSA-N 1 0 233.311 1.595 20 10 BDCDRO C[C@H]([NH2+]C1CCN(C=O)CC1)c1ccccc1O ZINC000895852354 583737140 /nfs/dbraw/zinc/73/71/40/583737140.db2.gz SSRCNWDAUAIOLE-NSHDSACASA-N 1 0 248.326 1.664 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]Cc2cnn[nH]2)c1 ZINC000858197417 588938490 /nfs/dbraw/zinc/93/84/90/588938490.db2.gz DJKXXUPDTADIOC-UHFFFAOYSA-N 1 0 248.286 1.199 20 10 BDCDRO CN1C[C@H]([N@H+](C)Cc2ccccc2O)CCC1=O ZINC000862428999 583962566 /nfs/dbraw/zinc/96/25/66/583962566.db2.gz ZIUWNUDJQDSKQT-GFCCVEGCSA-N 1 0 248.326 1.445 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897680117 584038048 /nfs/dbraw/zinc/03/80/48/584038048.db2.gz PIGUGQQMCIHYCD-IUODEOHRSA-N 1 0 248.370 1.874 20 10 BDCDRO Cc1cc(O)c(C[N@H+]2C[C@H](C)[C@H](O)C2)cc1C ZINC000897683428 584040364 /nfs/dbraw/zinc/04/03/64/584040364.db2.gz DDSRVAHVOJHRFF-SMDDNHRTSA-N 1 0 235.327 1.822 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000897684642 584040597 /nfs/dbraw/zinc/04/05/97/584040597.db2.gz UKYCONJMBNVKLS-PRHODGIISA-N 1 0 241.718 1.858 20 10 BDCDRO CCc1cccc(C[NH2+]Cc2cn(C)cn2)c1O ZINC000898043520 584081287 /nfs/dbraw/zinc/08/12/87/584081287.db2.gz SANHYFGTIBDHAC-UHFFFAOYSA-N 1 0 245.326 1.978 20 10 BDCDRO CC[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1ccccc1O ZINC000858495009 588960652 /nfs/dbraw/zinc/96/06/52/588960652.db2.gz RBUYHCYPMCUARF-NHCYSSNCSA-N 1 0 248.326 1.697 20 10 BDCDRO COc1cc(C)cc(C[N@@H+]2CC[C@@H]2CO)c1O ZINC000902629257 584646440 /nfs/dbraw/zinc/64/64/40/584646440.db2.gz ARVGDIKOIIGDRH-LLVKDONJSA-N 1 0 237.299 1.276 20 10 BDCDRO CN(C[C@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000903474008 584776526 /nfs/dbraw/zinc/77/65/26/584776526.db2.gz DXHMARNQABJNOG-LLVKDONJSA-N 1 0 205.305 1.457 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903960646 584828447 /nfs/dbraw/zinc/82/84/47/584828447.db2.gz SKEMFFFRPNUXIC-ZYHUDNBSSA-N 1 0 220.316 1.398 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000904355994 584871507 /nfs/dbraw/zinc/87/15/07/584871507.db2.gz ZHTGWJFQAOBRSI-GHMZBOCLSA-N 1 0 234.343 1.837 20 10 BDCDRO c1cc2c(cc1C[NH2+][C@@H]1CNOC1)CCCO2 ZINC000904424188 584880809 /nfs/dbraw/zinc/88/08/09/584880809.db2.gz PGBOZFVMIURNEL-GFCCVEGCSA-N 1 0 234.299 1.005 20 10 BDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1O ZINC000731872990 584930100 /nfs/dbraw/zinc/93/01/00/584930100.db2.gz VCENYBVUPQGINV-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@H](O)C1CC1 ZINC000734844751 584968768 /nfs/dbraw/zinc/96/87/68/584968768.db2.gz UFHRGSRCAPHZSD-LBPRGKRZSA-N 1 0 237.299 1.261 20 10 BDCDRO C[NH2+]CCN[C@H](C)c1ccc(C)c(C)c1O ZINC000817951066 584991921 /nfs/dbraw/zinc/99/19/21/584991921.db2.gz AWLZTZIGBHAJHS-LLVKDONJSA-N 1 0 222.332 1.879 20 10 BDCDRO C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(F)cc(F)c1[O-] ZINC000817971848 584993806 /nfs/dbraw/zinc/99/38/06/584993806.db2.gz HTTHQUSQVAMYDZ-RQJHMYQMSA-N 1 0 230.258 1.668 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000839192034 585097599 /nfs/dbraw/zinc/09/75/99/585097599.db2.gz GMONDXUOBZMMFA-CMPLNLGQSA-N 1 0 241.262 1.035 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000839193577 585097974 /nfs/dbraw/zinc/09/79/74/585097974.db2.gz SRTOTIGARQEDNW-GXTWGEPZSA-N 1 0 249.310 1.125 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](CO)CC2CC2)c1 ZINC000754835930 585291431 /nfs/dbraw/zinc/29/14/31/585291431.db2.gz YGJLBEFMQQXVEP-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc3c(cc2O)OC[C@H]3O)C1 ZINC000768443969 585538774 /nfs/dbraw/zinc/53/87/74/585538774.db2.gz KEISHHWBFQAHRR-NOZJJQNGSA-N 1 0 249.310 1.660 20 10 BDCDRO C[N@@H+](Cc1cc2c(cc1O)OC[C@@H]2O)CC1CC1 ZINC000768443867 585538917 /nfs/dbraw/zinc/53/89/17/585538917.db2.gz VLPMLVLWMJPDGX-ZDUSSCGKSA-N 1 0 249.310 1.660 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)[C@H]1CCOC1 ZINC000769332224 585553912 /nfs/dbraw/zinc/55/39/12/585553912.db2.gz ZCFGHWNWYNISSB-JTQLQIEISA-N 1 0 237.299 1.622 20 10 BDCDRO Cc1cccc(CN2CC[NH2+]C(C)(C)C2)c1O ZINC000775665923 585682767 /nfs/dbraw/zinc/68/27/67/585682767.db2.gz NUKKXBASZKYQTG-UHFFFAOYSA-N 1 0 234.343 1.884 20 10 BDCDRO CCOc1ccc(C[N@H+](C)C[C@H](C)O)c(O)c1 ZINC000776520802 585699936 /nfs/dbraw/zinc/69/99/36/585699936.db2.gz GTSQWPRRNIFAPI-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H](C)CCO ZINC000779345789 585752227 /nfs/dbraw/zinc/75/22/27/585752227.db2.gz CXXURTOKDXTTRC-LBPRGKRZSA-N 1 0 236.359 1.922 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1 ZINC000783746558 585841835 /nfs/dbraw/zinc/84/18/35/585841835.db2.gz YGLKLWHLSNMBQF-GXTWGEPZSA-N 1 0 233.311 1.515 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)C[C@@H](O)C2CC2)cc1 ZINC000785700063 585878596 /nfs/dbraw/zinc/87/85/96/585878596.db2.gz VFVJSTAZIHGODJ-OAHLLOKOSA-N 1 0 248.370 1.955 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CCN1C ZINC000785765152 585880139 /nfs/dbraw/zinc/88/01/39/585880139.db2.gz DGHNZUUMLUZLEV-ZDUSSCGKSA-N 1 0 247.386 1.889 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1O ZINC000788268582 585920272 /nfs/dbraw/zinc/92/02/72/585920272.db2.gz GKHCDJNANZDBNI-KOLCDFICSA-N 1 0 207.273 1.347 20 10 BDCDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000788270027 585920327 /nfs/dbraw/zinc/92/03/27/585920327.db2.gz OIUGDDMGNQZWJU-GZMMTYOYSA-N 1 0 225.263 1.486 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC1=CCCOC1 ZINC000808429425 586472302 /nfs/dbraw/zinc/47/23/02/586472302.db2.gz BTICPMDNZVWBKI-UHFFFAOYSA-N 1 0 249.310 1.837 20 10 BDCDRO CCOc1ccc(O)c(C[N@H+](C)[C@H](C)CO)c1 ZINC000809745361 586516829 /nfs/dbraw/zinc/51/68/29/586516829.db2.gz HMRVSUMVJUCBLK-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO CCN(C)c1ccc(C[N@H+](C)CCC(N)=O)cc1 ZINC000815116727 586667235 /nfs/dbraw/zinc/66/72/35/586667235.db2.gz BHOVWACDHRNGCV-UHFFFAOYSA-N 1 0 249.358 1.450 20 10 BDCDRO Nc1ccc(CCNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC000817859014 586830491 /nfs/dbraw/zinc/83/04/91/586830491.db2.gz LTUSMIFPOJYLNS-CYBMUJFWSA-N 1 0 247.342 1.055 20 10 BDCDRO Cc1cc(C)c([C@H](C)[NH2+]CCN)c(O)c1 ZINC000817937657 586844404 /nfs/dbraw/zinc/84/44/04/586844404.db2.gz ZAFJEHXLMFBCQX-JTQLQIEISA-N 1 0 208.305 1.618 20 10 BDCDRO Cc1cc(Cl)cc([C@@H](C)NCC[NH3+])c1O ZINC000817937612 586844611 /nfs/dbraw/zinc/84/46/11/586844611.db2.gz YKDMECOPRATMEY-MRVPVSSYSA-N 1 0 228.723 1.963 20 10 BDCDRO Cc1ccc([C@H](C)N[C@H]2CC[NH2+]C2)c(O)c1 ZINC000817944586 586846234 /nfs/dbraw/zinc/84/62/34/586846234.db2.gz HGRSXBNSDIXAFX-QWRGUYRKSA-N 1 0 220.316 1.713 20 10 BDCDRO Cc1cc(C)c([C@@H](C)NC2C[NH2+]C2)c(O)c1 ZINC000817956205 586849991 /nfs/dbraw/zinc/84/99/91/586849991.db2.gz SZFZXEHQWWYQTC-SNVBAGLBSA-N 1 0 220.316 1.631 20 10 BDCDRO C[C@H](C[NH3+])N[C@H](C)c1cc(F)ccc1O ZINC000817966282 586855438 /nfs/dbraw/zinc/85/54/38/586855438.db2.gz KHDXHVNKKFDADO-HTQZYQBOSA-N 1 0 212.268 1.529 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1[O-] ZINC000817977640 586861228 /nfs/dbraw/zinc/86/12/28/586861228.db2.gz MFCQYIGPYXNUKX-XDRUHAPNSA-N 1 0 236.290 1.400 20 10 BDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819094761 586930644 /nfs/dbraw/zinc/93/06/44/586930644.db2.gz LMDPSAHBUUYTPJ-HNNXBMFYSA-N 1 0 246.354 1.923 20 10 BDCDRO C[C@H](O)C[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC000819097073 586930827 /nfs/dbraw/zinc/93/08/27/586930827.db2.gz WUZOAJWZDSCTBO-LBPRGKRZSA-N 1 0 232.327 1.533 20 10 BDCDRO COC[C@](C)(O)CC[NH2+]Cc1ccccc1O ZINC000824559383 587276384 /nfs/dbraw/zinc/27/63/84/587276384.db2.gz RXMSVTFVHDKYFY-CYBMUJFWSA-N 1 0 239.315 1.269 20 10 BDCDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cc(F)ccc1O ZINC000825104004 587304617 /nfs/dbraw/zinc/30/46/17/587304617.db2.gz KACWMQZYYDWHRY-LDYMZIIASA-N 1 0 225.263 1.486 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825257059 587311236 /nfs/dbraw/zinc/31/12/36/587311236.db2.gz SMJONYQAXQIIJP-DTORHVGOSA-N 1 0 223.272 1.014 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@]3(O)C[C@H]3C2)c1 ZINC000827291906 587375777 /nfs/dbraw/zinc/37/57/77/587375777.db2.gz NHQSLLUFAYXOIM-GXTWGEPZSA-N 1 0 233.311 1.657 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC(=O)N(C)CC2)c1 ZINC000827359560 587378197 /nfs/dbraw/zinc/37/81/97/587378197.db2.gz PMTXYKGXSXLZGQ-UHFFFAOYSA-N 1 0 248.326 1.365 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1O ZINC000827936909 587411205 /nfs/dbraw/zinc/41/12/05/587411205.db2.gz GFXAVRVJWSYUBU-MNOVXSKESA-N 1 0 248.326 1.521 20 10 BDCDRO C[C@@H](NC(=O)C1([NH+](C)C)CC1)c1ccccc1O ZINC000827952071 587413022 /nfs/dbraw/zinc/41/30/22/587413022.db2.gz FPTBXJUEEIIBIZ-SNVBAGLBSA-N 1 0 248.326 1.664 20 10 BDCDRO C[NH2+]CCC(=O)NCc1ccc(N(C)C)cc1C ZINC000829764504 587514524 /nfs/dbraw/zinc/51/45/24/587514524.db2.gz NIGNDNKRQYWKNR-UHFFFAOYSA-N 1 0 249.358 1.287 20 10 BDCDRO C[C@H](CO)[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835037020 587779279 /nfs/dbraw/zinc/77/92/79/587779279.db2.gz UDEPFRLSWMRNEY-QMAVJUDZSA-N 1 0 234.343 1.736 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000835054317 587779623 /nfs/dbraw/zinc/77/96/23/587779623.db2.gz JWKRTKKGNKTYIK-DSVOZPAFSA-N 1 0 246.354 1.879 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCO[C@@H](CF)C2)c1O ZINC000840955704 587931862 /nfs/dbraw/zinc/93/18/62/587931862.db2.gz YHNHHMAVGVDMCV-LBPRGKRZSA-N 1 0 239.290 1.871 20 10 BDCDRO COc1ccc(CN[C@@H](C[NH3+])C2CC2)cc1C ZINC000841027387 587935930 /nfs/dbraw/zinc/93/59/30/587935930.db2.gz AOKURCHYOSPRMF-ZDUSSCGKSA-N 1 0 234.343 1.831 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](CN)C2CC2)c1O ZINC000841028772 587936344 /nfs/dbraw/zinc/93/63/44/587936344.db2.gz RLYPBXPXTKBPFB-LBPRGKRZSA-N 1 0 220.316 1.528 20 10 BDCDRO COc1cccc(C[NH2+][C@H](CN)C2CC2)c1O ZINC000841028677 587936412 /nfs/dbraw/zinc/93/64/12/587936412.db2.gz QNWADTKVLICLIG-LLVKDONJSA-N 1 0 236.315 1.228 20 10 BDCDRO Cc1ccc(O)c(CNC[C@H]2CCCC[NH2+]2)c1 ZINC000841033041 587936881 /nfs/dbraw/zinc/93/68/81/587936881.db2.gz NDPFSQFFWMIRSC-CYBMUJFWSA-N 1 0 234.343 1.932 20 10 BDCDRO Nc1ccc(CC[NH2+]C[C@@H]2CCCOC2)cc1 ZINC000841035084 587937328 /nfs/dbraw/zinc/93/73/28/587937328.db2.gz KFLRFWTWLXPAOY-ZDUSSCGKSA-N 1 0 234.343 1.828 20 10 BDCDRO CN(C)c1ccc([C@@H](N)C[NH2+]CC2CC2)cc1 ZINC000841042076 587938779 /nfs/dbraw/zinc/93/87/79/587938779.db2.gz HKJLFBXWGXPBIJ-AWEZNQCLSA-N 1 0 233.359 1.752 20 10 BDCDRO Oc1cccc(Cl)c1CN[C@H]1CCC[NH2+]C1 ZINC000841043868 587939242 /nfs/dbraw/zinc/93/92/42/587939242.db2.gz YBUMHHTUYNGKDL-VIFPVBQESA-N 1 0 240.734 1.887 20 10 BDCDRO Cc1cc(O)c(CN[C@H]2CC[NH2+]C2)cc1C ZINC000841045407 587939435 /nfs/dbraw/zinc/93/94/35/587939435.db2.gz UHSXANOXIOPWEJ-LBPRGKRZSA-N 1 0 220.316 1.461 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2CC[NH2+]C2)cc1F ZINC000841044396 587939445 /nfs/dbraw/zinc/93/94/45/587939445.db2.gz FAEWSUWSUUWZOM-LLVKDONJSA-N 1 0 237.322 1.343 20 10 BDCDRO COc1ccc(CN[C@@H](C)[C@H](C)[NH3+])cc1C ZINC000841081935 587945057 /nfs/dbraw/zinc/94/50/57/587945057.db2.gz VQUJJCGESNGCGK-QWRGUYRKSA-N 1 0 222.332 1.829 20 10 BDCDRO [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000841084533 587945473 /nfs/dbraw/zinc/94/54/73/587945473.db2.gz KHGCNHVDCVFCOF-MWLCHTKSSA-N 1 0 238.306 1.748 20 10 BDCDRO Cc1cccc(CN[C@H]2CCCC[NH2+]C2)c1O ZINC000841090189 587945528 /nfs/dbraw/zinc/94/55/28/587945528.db2.gz MJUXPBLSWGRRME-ZDUSSCGKSA-N 1 0 234.343 1.932 20 10 BDCDRO [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000841084531 587945837 /nfs/dbraw/zinc/94/58/37/587945837.db2.gz KHGCNHVDCVFCOF-GXSJLCMTSA-N 1 0 238.306 1.748 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C[C@@](C)(O)C2)c1O ZINC000841891745 587982035 /nfs/dbraw/zinc/98/20/35/587982035.db2.gz PFVIPCDOANWXGV-BJHJDKERSA-N 1 0 221.300 1.704 20 10 BDCDRO Cc1cccc(CN2CCC[NH2+]CC2)c1O ZINC000843047607 588075700 /nfs/dbraw/zinc/07/57/00/588075700.db2.gz PVYJYOUQNXCOMB-UHFFFAOYSA-N 1 0 220.316 1.496 20 10 BDCDRO C[N@H+](Cc1cccc(F)c1[O-])C1CC[NH2+]CC1 ZINC000843046454 588075742 /nfs/dbraw/zinc/07/57/42/588075742.db2.gz WPMJJZFVJRRPBA-UHFFFAOYSA-N 1 0 238.306 1.715 20 10 BDCDRO CCOc1ccc(O)c(CN(C)[C@@H](C)C[NH3+])c1 ZINC000843051758 588076769 /nfs/dbraw/zinc/07/67/69/588076769.db2.gz LKCFMTOOAMJHNS-JTQLQIEISA-N 1 0 238.331 1.570 20 10 BDCDRO Cc1cccc(CN2C[C@@H](C)[NH2+][C@@H](C)C2)c1O ZINC000843049754 588076838 /nfs/dbraw/zinc/07/68/38/588076838.db2.gz VPZGBYUJKJGTEB-TXEJJXNPSA-N 1 0 234.343 1.883 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cccc(F)c2[O-])CC[C@@H]1[NH3+] ZINC000843051422 588077257 /nfs/dbraw/zinc/07/72/57/588077257.db2.gz HFVBPQZNKFFJFL-CABZTGNLSA-N 1 0 238.306 1.700 20 10 BDCDRO CCC[C@@H]1C[NH2+]CCN1Cc1ccccc1O ZINC000843058422 588077568 /nfs/dbraw/zinc/07/75/68/588077568.db2.gz SIKIRZROYMCOJK-CYBMUJFWSA-N 1 0 234.343 1.966 20 10 BDCDRO C[C@@H]1CN(Cc2cccc(F)c2O)C[C@H]1[NH3+] ZINC000843120517 588083532 /nfs/dbraw/zinc/08/35/32/588083532.db2.gz OFSOFJLSDYRVOV-LDYMZIIASA-N 1 0 224.279 1.310 20 10 BDCDRO C[N@H+](Cc1cccc(F)c1[O-])C1CC([NH3+])C1 ZINC000843125620 588084062 /nfs/dbraw/zinc/08/40/62/588084062.db2.gz ZASJWVLEHBPITQ-UHFFFAOYSA-N 1 0 224.279 1.453 20 10 BDCDRO CN(C(=O)Cc1ccc(N)cc1)C1(C[NH3+])CCC1 ZINC000843483955 588114506 /nfs/dbraw/zinc/11/45/06/588114506.db2.gz GKQNHFCHZSXVAO-UHFFFAOYSA-N 1 0 247.342 1.151 20 10 BDCDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000843503277 588117375 /nfs/dbraw/zinc/11/73/75/588117375.db2.gz JTDPUANMNLLOTO-UWVGGRQHSA-N 1 0 235.331 1.053 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000846073882 588255480 /nfs/dbraw/zinc/25/54/80/588255480.db2.gz SKTILCVJWPJCQR-UDZFHETQSA-N 1 0 249.310 1.810 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)[C@H](C)CCO ZINC000846111896 588257425 /nfs/dbraw/zinc/25/74/25/588257425.db2.gz RWSUWEZFHJWZPJ-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO Cc1cccc(CN[C@@H](C[NH3+])C(F)(F)F)c1O ZINC000848714680 588408082 /nfs/dbraw/zinc/40/80/82/588408082.db2.gz SHZIDEKWAUQOSY-VIFPVBQESA-N 1 0 248.248 1.680 20 10 BDCDRO COc1cccc(CNC2=[NH+]CCCCN2)c1O ZINC000849215730 588462364 /nfs/dbraw/zinc/46/23/64/588462364.db2.gz AEFGDDWXFZWEFL-UHFFFAOYSA-N 1 0 249.314 1.230 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850417885 588545203 /nfs/dbraw/zinc/54/52/03/588545203.db2.gz PWMFBZJZGQOEMI-MGCOHNPYSA-N 1 0 227.691 1.659 20 10 BDCDRO CC[C@@H]([NH2+]CCN(C)OC)c1ccccc1O ZINC000850479158 588550688 /nfs/dbraw/zinc/55/06/88/588550688.db2.gz MPCOOTDJIPKODI-GFCCVEGCSA-N 1 0 238.331 1.926 20 10 BDCDRO O=C(C=C1CC[NH2+]CC1)N1CCc2ccccc21 ZINC000852799030 588703955 /nfs/dbraw/zinc/70/39/55/588703955.db2.gz AJJOXVGPISEXEA-UHFFFAOYSA-N 1 0 242.322 1.886 20 10 BDCDRO COc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1OC ZINC000862444167 589214024 /nfs/dbraw/zinc/21/40/24/589214024.db2.gz YYHRCGDGOHDQCE-AOOOYVTPSA-N 1 0 249.310 1.861 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)c1 ZINC000862444047 589214087 /nfs/dbraw/zinc/21/40/87/589214087.db2.gz WXGREWVCIAYBIF-AOOOYVTPSA-N 1 0 219.284 1.853 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H]3COC(=O)[C@@H]3C2)c1 ZINC000862546177 589219672 /nfs/dbraw/zinc/21/96/72/589219672.db2.gz HYALRLSRIAXORD-VXGBXAGGSA-N 1 0 247.294 1.305 20 10 BDCDRO C[C@H]1CC[C@H](NCc2cc(F)ccc2O)C[NH2+]1 ZINC000863484629 589293234 /nfs/dbraw/zinc/29/32/34/589293234.db2.gz KDHJOHLQDZFPQV-CABZTGNLSA-N 1 0 238.306 1.761 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000863487433 589293850 /nfs/dbraw/zinc/29/38/50/589293850.db2.gz PQBHEGCEOGOEMF-SMDDNHRTSA-N 1 0 233.359 1.593 20 10 BDCDRO CN(C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(N)cc1 ZINC000863558631 589298775 /nfs/dbraw/zinc/29/87/75/589298775.db2.gz QBSKXYYUNLOAEU-ZDUSSCGKSA-N 1 0 247.342 1.226 20 10 BDCDRO COc1ccc(CNC(=[NH2+])N[C@H]2C[C@@H]2C)c(O)c1 ZINC000864465426 589371058 /nfs/dbraw/zinc/37/10/58/589371058.db2.gz WJGUAGWULLINKN-KWQFWETISA-N 1 0 249.314 1.423 20 10 BDCDRO C[C@H](C[NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000870988425 589707148 /nfs/dbraw/zinc/70/71/48/589707148.db2.gz PBKVOIUTUIXQBN-BDAKNGLRSA-N 1 0 222.288 1.164 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1O ZINC000870988329 589707293 /nfs/dbraw/zinc/70/72/93/589707293.db2.gz MTASIQKVRWDBFL-FOGDFJRCSA-N 1 0 248.326 1.567 20 10 BDCDRO C[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000870988073 589707309 /nfs/dbraw/zinc/70/73/09/589707309.db2.gz FWQVTYRFTXPGIY-MNOVXSKESA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1ccccc1O ZINC000870988771 589708014 /nfs/dbraw/zinc/70/80/14/589708014.db2.gz ZDAFYLQGHORIFP-IINYFYTJSA-N 1 0 248.326 1.569 20 10 BDCDRO C[N@@H+]1CCC[C@@H]1C(=O)N1Cc2cccc(O)c2C1 ZINC000871202207 589744548 /nfs/dbraw/zinc/74/45/48/589744548.db2.gz AFNOUPXQFHCZLW-GFCCVEGCSA-N 1 0 246.310 1.329 20 10 BDCDRO Oc1ccc(F)cc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873217472 589997763 /nfs/dbraw/zinc/99/77/63/589997763.db2.gz MLVTYYRBRYPJLP-TXEJJXNPSA-N 1 0 236.290 1.468 20 10 BDCDRO COCC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000020085590 590072937 /nfs/dbraw/zinc/07/29/37/590072937.db2.gz YARDXGAUZIHGPV-SNVBAGLBSA-N 1 0 209.289 1.998 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@H](C(N)=O)C2)c(O)c1 ZINC000876522912 590207751 /nfs/dbraw/zinc/20/77/51/590207751.db2.gz GGZBIDMQKNNZDW-LLVKDONJSA-N 1 0 234.299 1.008 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCCC[C@H]2C(N)=O)c(O)c1 ZINC000876539520 590212303 /nfs/dbraw/zinc/21/23/03/590212303.db2.gz JOISNHINMFTXJH-LBPRGKRZSA-N 1 0 248.326 1.540 20 10 BDCDRO CC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000876915670 590256447 /nfs/dbraw/zinc/25/64/47/590256447.db2.gz XKWAVBSTOSJRIX-CYBMUJFWSA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CCCCNC2=O)c(O)c1 ZINC000876926449 590257881 /nfs/dbraw/zinc/25/78/81/590257881.db2.gz VIEFZVUQHHASES-GFCCVEGCSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2CCOC2)c(O)c1 ZINC000876930127 590258350 /nfs/dbraw/zinc/25/83/50/590258350.db2.gz LVUHOSLKDNYDNH-LLVKDONJSA-N 1 0 221.300 1.827 20 10 BDCDRO Cc1nccn1CC[NH2+]Cc1ccc(C)cc1O ZINC000876991936 590266311 /nfs/dbraw/zinc/26/63/11/590266311.db2.gz WPNSHORDEDJFHR-UHFFFAOYSA-N 1 0 245.326 1.995 20 10 BDCDRO Cc1ccc(C[NH2+]CCC[S@@](C)=O)c(O)c1 ZINC000877051946 590274811 /nfs/dbraw/zinc/27/48/11/590274811.db2.gz ONETXCLNDLPDIQ-MRXNPFEDSA-N 1 0 241.356 1.559 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)CCO ZINC000877052244 590275136 /nfs/dbraw/zinc/27/51/36/590275136.db2.gz UDADQXSWWMXIOQ-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCC(=O)N(C)C1 ZINC000877053117 590275326 /nfs/dbraw/zinc/27/53/26/590275326.db2.gz CZAOPYSLOKSOSK-LLVKDONJSA-N 1 0 248.326 1.411 20 10 BDCDRO CC[NH2+][C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074399 590278248 /nfs/dbraw/zinc/27/82/48/590278248.db2.gz IYDXBCZDQNFIJG-SECBINFHSA-N 1 0 221.304 1.230 20 10 BDCDRO CN(C(=O)C[C@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000877074971 590278312 /nfs/dbraw/zinc/27/83/12/590278312.db2.gz WQPPNCOPHDMRAE-SNVBAGLBSA-N 1 0 233.315 1.231 20 10 BDCDRO CN(C(=O)CC[NH2+]C1CC1)c1ccc(N)cc1 ZINC000877075012 590278333 /nfs/dbraw/zinc/27/83/33/590278333.db2.gz YHEVJFKNSQBEHW-UHFFFAOYSA-N 1 0 233.315 1.374 20 10 BDCDRO CN(C(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(N)cc1 ZINC000877077219 590278868 /nfs/dbraw/zinc/27/88/68/590278868.db2.gz ZMZJGBZCHJMWJR-NSHDSACASA-N 1 0 247.342 1.573 20 10 BDCDRO CC(C)[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877079153 590279473 /nfs/dbraw/zinc/27/94/73/590279473.db2.gz SNVFNVQGZNGTDN-NSHDSACASA-N 1 0 221.304 1.215 20 10 BDCDRO CN(C(=O)[C@@H]([NH3+])C(C)(C)C)c1ccc(N)cc1 ZINC000877079463 590279674 /nfs/dbraw/zinc/27/96/74/590279674.db2.gz ZGXLSODNDKYNRK-LLVKDONJSA-N 1 0 235.331 1.605 20 10 BDCDRO COC[C@H](O)CC[NH2+]Cc1ccc(C)cc1O ZINC000877125507 590289834 /nfs/dbraw/zinc/28/98/34/590289834.db2.gz OBNASCVAGPFPHK-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)O)c(O)c1 ZINC000877195860 590299704 /nfs/dbraw/zinc/29/97/04/590299704.db2.gz PBDIYTNQKWHZFV-GHMZBOCLSA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccccc1O ZINC000877256448 590304209 /nfs/dbraw/zinc/30/42/09/590304209.db2.gz WLENZDPKOULSHI-GOONRYMUSA-N 1 0 246.310 1.035 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)C[S@@](C)=O ZINC000877310524 590312496 /nfs/dbraw/zinc/31/24/96/590312496.db2.gz NQQGBSLUTOYRMO-MGPLVRAMSA-N 1 0 241.356 1.557 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1ccno1 ZINC000877321656 590316352 /nfs/dbraw/zinc/31/63/52/590316352.db2.gz NYTFMTRCHZHKSM-UHFFFAOYSA-N 1 0 218.256 1.978 20 10 BDCDRO Cc1ccc(C[N@H+](C)CC2CC(O)C2)c(O)c1 ZINC000877466113 590333633 /nfs/dbraw/zinc/33/36/33/590333633.db2.gz XWLZLBVBXHWJSC-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO CCn1ncnc1C[NH2+]Cc1c(C)cccc1O ZINC000877492359 590340141 /nfs/dbraw/zinc/34/01/41/590340141.db2.gz WTZHRYZFKYGKKF-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCc1cn[nH]c1 ZINC000877539394 590350777 /nfs/dbraw/zinc/35/07/77/590350777.db2.gz LNQXLOQJSNWYFK-UHFFFAOYSA-N 1 0 231.299 1.756 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@@H](C)O ZINC000877567833 590361636 /nfs/dbraw/zinc/36/16/36/590361636.db2.gz BUIQKSBWIALVJN-PWSUYJOCSA-N 1 0 223.316 1.950 20 10 BDCDRO CC[C@H]([NH2+]Cc1c(C)cccc1O)[C@@H](C)O ZINC000877569078 590362413 /nfs/dbraw/zinc/36/24/13/590362413.db2.gz ZJOJPWFWQPXVHP-PWSUYJOCSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1ccc(C[NH+]2CC(O)(C(C)C)C2)c(O)c1 ZINC000877580237 590364581 /nfs/dbraw/zinc/36/45/81/590364581.db2.gz NPUVDQARHMSFHJ-UHFFFAOYSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[NH2+]C/C=C\CO)c(O)c1 ZINC000877624059 590377211 /nfs/dbraw/zinc/37/72/11/590377211.db2.gz IFYBJGIXTDUVON-IHWYPQMZSA-N 1 0 207.273 1.339 20 10 BDCDRO CCn1nncc1C[NH2+]Cc1ccc(C)cc1O ZINC000877647491 590383875 /nfs/dbraw/zinc/38/38/75/590383875.db2.gz DELUGXMWBBSRKS-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO Nc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000127613736 590722980 /nfs/dbraw/zinc/72/29/80/590722980.db2.gz CWQVMXDQZOFEKK-VIFPVBQESA-N 1 0 219.288 1.207 20 10 BDCDRO C[C@@H]1CN(Cc2ccccc2O)C[C@H](C)[NH2+]1 ZINC000023477146 590844600 /nfs/dbraw/zinc/84/46/00/590844600.db2.gz LHONBGORYCTZFI-PHIMTYICSA-N 1 0 220.316 1.574 20 10 BDCDRO CN(Cc1c(O)cccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000128326876 590991946 /nfs/dbraw/zinc/99/19/46/590991946.db2.gz YCWWYTYBFFTVFO-SECBINFHSA-N 1 0 240.734 1.839 20 10 BDCDRO CC(C)[NH2+]CCC(=O)Nc1ccc(N)cc1 ZINC000131531773 591617689 /nfs/dbraw/zinc/61/76/89/591617689.db2.gz FWVCVUTYXUPPLQ-UHFFFAOYSA-N 1 0 221.304 1.595 20 10 BDCDRO C[C@@H]1CN(Cc2cccc(Cl)c2[O-])CC[NH2+]1 ZINC000132482175 591713788 /nfs/dbraw/zinc/71/37/88/591713788.db2.gz QGQXCGVMCOPHAX-SECBINFHSA-N 1 0 240.734 1.839 20 10 BDCDRO Cc1cc(Cl)cc(C[NH2+][C@H](C)C(N)=O)c1O ZINC000134415875 591926498 /nfs/dbraw/zinc/92/64/98/591926498.db2.gz GVYFFLJFBVKXCH-SSDOTTSWSA-N 1 0 242.706 1.317 20 10 BDCDRO OC1(C[NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000134518918 591932726 /nfs/dbraw/zinc/93/27/26/591932726.db2.gz KVTNPSOKHYXUTC-UHFFFAOYSA-N 1 0 233.311 1.626 20 10 BDCDRO C[C@@H](O)[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000136822214 592151390 /nfs/dbraw/zinc/15/13/90/592151390.db2.gz JDVONYTWGVEICU-VXGBXAGGSA-N 1 0 235.327 1.985 20 10 BDCDRO C[NH2+][C@@H]1CCCN(Cc2cc(F)ccc2O)C1 ZINC000219862818 592259562 /nfs/dbraw/zinc/25/95/62/592259562.db2.gz ZBDLGTPZNMLHKF-GFCCVEGCSA-N 1 0 238.306 1.715 20 10 BDCDRO [NH2+]=C(NCc1ccccc1O)NCC1CC1 ZINC000887348563 592484624 /nfs/dbraw/zinc/48/46/24/592484624.db2.gz OANUNGXWGGZFGZ-UHFFFAOYSA-N 1 0 219.288 1.416 20 10 BDCDRO CCN(CC[NH3+])Cc1ccc(N(C)C)cc1 ZINC000076610951 631298047 /nfs/dbraw/zinc/29/80/47/631298047.db2.gz HAEZIULAKGTYBM-UHFFFAOYSA-N 1 0 221.348 1.533 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1ccc(N(C)C)cc1 ZINC000162187602 632540812 /nfs/dbraw/zinc/54/08/12/632540812.db2.gz HSMYDNAVSBTCDV-NSHDSACASA-N 1 0 221.348 1.450 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC[C@H](C)O ZINC000309917389 632680720 /nfs/dbraw/zinc/68/07/20/632680720.db2.gz QEJUIIYBGDSKMD-VIFPVBQESA-N 1 0 225.288 1.261 20 10 BDCDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccc(N(C)C)cc1 ZINC000310341826 632722758 /nfs/dbraw/zinc/72/27/58/632722758.db2.gz CZJSLUYFAJLHPA-FZMZJTMJSA-N 1 0 233.359 1.674 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@H]1CCCO1 ZINC000725841689 632764789 /nfs/dbraw/zinc/76/47/89/632764789.db2.gz UXZFHNPANNSFDD-SNVBAGLBSA-N 1 0 237.299 1.669 20 10 BDCDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000166201749 633108681 /nfs/dbraw/zinc/10/86/81/633108681.db2.gz BOTTZFHPZVBDQA-SKDRFNHKSA-N 1 0 236.315 1.382 20 10 BDCDRO C[C@@H]1C(=O)N[C@@H](C)[C@@H](C)[N@H+]1Cc1ccccc1O ZINC000895117721 636064197 /nfs/dbraw/zinc/06/41/97/636064197.db2.gz VQQCMSYZAWLOIH-HBNTYKKESA-N 1 0 248.326 1.490 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)[C@H](C)OC)c(O)c1 ZINC000189109055 634163578 /nfs/dbraw/zinc/16/35/78/634163578.db2.gz PRSUEIAYVYYFIK-UWVGGRQHSA-N 1 0 239.315 1.914 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@](C)(O)C2CC2)c1 ZINC000310132940 635182345 /nfs/dbraw/zinc/18/23/45/635182345.db2.gz LBINZXHTPIDVSH-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@H]([NH3+])CCC(=O)NCc1ccccc1O ZINC000162971185 635270564 /nfs/dbraw/zinc/27/05/64/635270564.db2.gz IVQVOEWRJDVDRC-VIFPVBQESA-N 1 0 222.288 1.136 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000862440127 636627761 /nfs/dbraw/zinc/62/77/61/636627761.db2.gz DRMMRAQJFIGLOK-AOOOYVTPSA-N 1 0 219.284 1.853 20 10 BDCDRO Cc1cccc(CN[C@H]2C[NH2+]CC2(C)C)c1O ZINC000904462716 637407230 /nfs/dbraw/zinc/40/72/30/637407230.db2.gz RICWHUOAYYQTKH-LBPRGKRZSA-N 1 0 234.343 1.788 20 10 BDCDRO Cc1cccc(C[NH2+]CC2([NH3+])CC2)c1O ZINC000904449916 637414744 /nfs/dbraw/zinc/41/47/44/637414744.db2.gz NAFYNTVWIPYRHZ-UHFFFAOYSA-N 1 0 206.289 1.282 20 10 BDCDRO CCOc1ccc(C[NH2+]CCCON)c(O)c1 ZINC000904457945 637419152 /nfs/dbraw/zinc/41/91/52/637419152.db2.gz WLEHEQYFUHILGJ-UHFFFAOYSA-N 1 0 240.303 1.161 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+]CCCON)cc1 ZINC000904457848 637419167 /nfs/dbraw/zinc/41/91/67/637419167.db2.gz SUKFJIHWUOEUHN-HYXAFXHYSA-N 1 0 249.358 1.636 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC[C@@H]2O)c1 ZINC000164230690 640458351 /nfs/dbraw/zinc/45/83/51/640458351.db2.gz BVQONXYUTZRNLI-AAEUAGOBSA-N 1 0 221.300 1.704 20 10 BDCDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1O ZINC000228421975 640874198 /nfs/dbraw/zinc/87/41/98/640874198.db2.gz SNSDKJUIOKJBOE-KOLCDFICSA-N 1 0 234.299 1.006 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@H]1CCOC1 ZINC000230162482 641033032 /nfs/dbraw/zinc/03/30/32/641033032.db2.gz DAHAPXXJMSHNIM-NSHDSACASA-N 1 0 221.300 1.908 20 10 BDCDRO CC1(C)OCC([NH2+]Cc2ccccc2O)CO1 ZINC000230695500 641082359 /nfs/dbraw/zinc/08/23/59/641082359.db2.gz HVLKLGQTQRWDGX-UHFFFAOYSA-N 1 0 237.299 1.633 20 10 BDCDRO CN1CCC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000040673170 641534703 /nfs/dbraw/zinc/53/47/03/641534703.db2.gz XQWICYXHGYRQHE-CQSZACIVSA-N 1 0 246.354 1.805 20 10 BDCDRO Cn1cnc(CC[NH2+]Cc2ccccc2O)c1 ZINC000313263182 641546391 /nfs/dbraw/zinc/54/63/91/641546391.db2.gz LJRGWLDEUCQEOG-UHFFFAOYSA-N 1 0 231.299 1.458 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccccc2O)[C@@H]1CO ZINC000191179426 641906129 /nfs/dbraw/zinc/90/61/29/641906129.db2.gz ZVPANAHJGCLZTH-ZYHUDNBSSA-N 1 0 221.300 1.595 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H](O)C1CC1)c1ccccc1O ZINC000070880984 643074946 /nfs/dbraw/zinc/07/49/46/643074946.db2.gz LEMYBCKYWASALJ-NOZJJQNGSA-N 1 0 221.300 1.814 20 10 BDCDRO CC[C@@H]([NH2+]C[C@H](O)COC)c1ccccc1O ZINC000071269700 643113437 /nfs/dbraw/zinc/11/34/37/643113437.db2.gz CBJJIYBUZVNTMR-CMPLNLGQSA-N 1 0 239.315 1.440 20 10 BDCDRO C[NH2+]CCC[NH2+]Cc1cccc(F)c1[O-] ZINC000083347007 643438570 /nfs/dbraw/zinc/43/85/70/643438570.db2.gz HVHOETYGNPKCKW-UHFFFAOYSA-N 1 0 212.268 1.230 20 10 BDCDRO C[C@@H]1C[NH2+]CCN1Cc1cc(Cl)ccc1O ZINC000083368872 643439772 /nfs/dbraw/zinc/43/97/72/643439772.db2.gz AESBLMFNBKDVMY-SECBINFHSA-N 1 0 240.734 1.839 20 10 BDCDRO C[C@@H](CNC(=O)Nc1ccc(N)cc1)[NH+](C)C ZINC000045110177 643551061 /nfs/dbraw/zinc/55/10/61/643551061.db2.gz JFFCJYOTGREWOL-VIFPVBQESA-N 1 0 236.319 1.340 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921863395 643810754 /nfs/dbraw/zinc/81/07/54/643810754.db2.gz VGXVIWIVTBWWOJ-JTQLQIEISA-N 1 0 248.326 1.365 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@H](CO)C2)cc1C ZINC000923003556 644227559 /nfs/dbraw/zinc/22/75/59/644227559.db2.gz GZHOOFBTVYMQTB-AULYBMBSSA-N 1 0 235.327 1.870 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2ccc(N(C)C)c(C)c2)C1 ZINC000923278371 644312257 /nfs/dbraw/zinc/31/22/57/644312257.db2.gz SFSAKVRBBOXYEP-AWEZNQCLSA-N 1 0 247.386 1.855 20 10 BDCDRO CN(CC[NH+]1CCCC1)Cc1ccccc1O ZINC000089912290 644571363 /nfs/dbraw/zinc/57/13/63/644571363.db2.gz NBSCNHSSQCAJFX-UHFFFAOYSA-N 1 0 234.343 1.920 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H](C)C[C@H](C)O ZINC000782977465 644749692 /nfs/dbraw/zinc/74/96/92/644749692.db2.gz FXFSVXNQGGFYMZ-UWVGGRQHSA-N 1 0 239.315 1.650 20 10 BDCDRO C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000843129576 645267975 /nfs/dbraw/zinc/26/79/75/645267975.db2.gz PXIDOIYLXMHSMR-BDAKNGLRSA-N 1 0 226.295 1.747 20 10 BDCDRO COc1cccc(C[NH2+]C2CSC2)c1O ZINC000380277700 712860432 /nfs/dbraw/zinc/86/04/32/712860432.db2.gz YAGYZFJCQCHTSW-UHFFFAOYSA-N 1 0 225.313 1.606 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC(C)(C)O ZINC000390459119 711119460 /nfs/dbraw/zinc/11/94/60/711119460.db2.gz FBZMZLXARQSHPV-UHFFFAOYSA-N 1 0 225.288 1.261 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1CNC(=O)C1)c1ccccc1O ZINC000398363910 711409989 /nfs/dbraw/zinc/40/99/89/711409989.db2.gz YXXMYUUUDVFAQI-NXEZZACHSA-N 1 0 234.299 1.179 20 10 BDCDRO OCC1(C[NH2+][C@H]2CCc3cccc(O)c32)CC1 ZINC000383842227 710951505 /nfs/dbraw/zinc/95/15/05/710951505.db2.gz KOHJYVZSIDRCRA-NSHDSACASA-N 1 0 233.311 1.742 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000396664564 711363668 /nfs/dbraw/zinc/36/36/68/711363668.db2.gz VDZPQDTXWSVJRB-LBPRGKRZSA-N 1 0 248.326 1.459 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H]1C[C@@H]2COC[C@@H]2O1 ZINC000724661986 711606688 /nfs/dbraw/zinc/60/66/88/711606688.db2.gz AKSUXCVNOBJTHN-BZPMIXESSA-N 1 0 249.310 1.286 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H]2CC23CC(O)C3)c1O ZINC000724952225 711633684 /nfs/dbraw/zinc/63/36/84/711633684.db2.gz GWFMRDSJUYPENH-JVWICGRDSA-N 1 0 247.338 1.958 20 10 BDCDRO CON(C)C(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000397521998 711705957 /nfs/dbraw/zinc/70/59/57/711705957.db2.gz JWUGWOHYVXCYEB-VIFPVBQESA-N 1 0 238.287 1.063 20 10 BDCDRO COc1cccc(C[NH2+]Cc2conc2C)c1O ZINC000397842978 711707429 /nfs/dbraw/zinc/70/74/29/711707429.db2.gz CRLASBKZJANCMR-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000226086998 711789368 /nfs/dbraw/zinc/78/93/68/711789368.db2.gz ZIUBKZYTGDRNGM-GFCCVEGCSA-N 1 0 248.330 1.485 20 10 BDCDRO Oc1ccccc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000085282269 711932111 /nfs/dbraw/zinc/93/21/11/711932111.db2.gz DETUCKWDDYMODP-TXEJJXNPSA-N 1 0 218.300 1.043 20 10 BDCDRO COC[C@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700879618 712009347 /nfs/dbraw/zinc/00/93/47/712009347.db2.gz OJKQPAWWOHWKSY-NSHDSACASA-N 1 0 234.343 1.933 20 10 BDCDRO C[NH+](C)C1CC(NCc2ccc3c(c2)CCO3)C1 ZINC000701495902 712024969 /nfs/dbraw/zinc/02/49/69/712024969.db2.gz YDQGNWSBNOKBGY-UHFFFAOYSA-N 1 0 246.354 1.804 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2C[C@@H](CO)C2)c1O ZINC000707509024 712171110 /nfs/dbraw/zinc/17/11/10/712171110.db2.gz WDDDVDFLQXLRAK-JGZJWPJOSA-N 1 0 237.299 1.261 20 10 BDCDRO CC[NH2+][C@@H](C)C(=O)NCc1ccccc1O ZINC000707923361 712173118 /nfs/dbraw/zinc/17/31/18/712173118.db2.gz XUXRTKLJTVARJP-VIFPVBQESA-N 1 0 222.288 1.006 20 10 BDCDRO C[NH+](C)CCC[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708480111 712181170 /nfs/dbraw/zinc/18/11/70/712181170.db2.gz DNLKJIDMVMYLRX-UHFFFAOYSA-N 1 0 244.285 1.712 20 10 BDCDRO C[C@@H]1[C@H](C)[NH2+]CCN1Cc1ccccc1O ZINC000379445589 712384978 /nfs/dbraw/zinc/38/49/78/712384978.db2.gz WWYVHIASCSBOMC-WDEREUQCSA-N 1 0 220.316 1.574 20 10 BDCDRO CCN1CC[C@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000712529983 712441610 /nfs/dbraw/zinc/44/16/10/712441610.db2.gz OQMGZWHQABJWEL-HNNXBMFYSA-N 1 0 247.386 1.936 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)c1nncn1C ZINC000037017448 712529134 /nfs/dbraw/zinc/52/91/34/712529134.db2.gz MVVIGOBWSNPIOU-VHSXEESVSA-N 1 0 246.314 1.933 20 10 BDCDRO c1cc(C[NH2+]CC2OCCCO2)cc2c1OCC2 ZINC000716369880 712556904 /nfs/dbraw/zinc/55/69/04/712556904.db2.gz DFDRLBLKEGPRAC-UHFFFAOYSA-N 1 0 249.310 1.474 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C/C=C\CO)c1 ZINC000717532692 712660478 /nfs/dbraw/zinc/66/04/78/712660478.db2.gz OPYSXNVWTCHTFU-DLRQAJBASA-N 1 0 221.300 1.900 20 10 BDCDRO OC/C=C\C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000717532498 712660657 /nfs/dbraw/zinc/66/06/57/712660657.db2.gz JWYPWEREGSHURQ-UPHRSURJSA-N 1 0 219.284 1.260 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879132 712720707 /nfs/dbraw/zinc/72/07/07/712720707.db2.gz GTHBMDQUJHHUNB-MRVPVSSYSA-N 1 0 239.271 1.245 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C1([NH3+])CCCC1 ZINC000037823799 712768703 /nfs/dbraw/zinc/76/87/03/712768703.db2.gz LLYOJBPZRNELSL-UHFFFAOYSA-N 1 0 248.326 1.622 20 10 BDCDRO C[C@H]([NH2+]Cc1cn[nH]c1)c1ccccc1O ZINC000038005876 712798720 /nfs/dbraw/zinc/79/87/20/712798720.db2.gz UJTFVCYXRNMADA-VIFPVBQESA-N 1 0 217.272 1.966 20 10 BDCDRO Cc1ccc(C[N@@H+](C)C2(C)COC2)c(O)c1 ZINC001140950972 960759622 /nfs/dbraw/zinc/75/96/22/960759622.db2.gz RGYVSKAJIJESLI-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1cc(F)c(F)cc1O ZINC001236868782 979770723 /nfs/dbraw/zinc/77/07/23/979770723.db2.gz IBFZZTPGIMPCDN-VIFPVBQESA-N 1 0 244.285 1.840 20 10 BDCDRO Nc1ccc(CO[C@@H]2CCC[NH2+]C2)cc1 ZINC001217859715 971451884 /nfs/dbraw/zinc/45/18/84/971451884.db2.gz GITJHXYPRRSIQT-GFCCVEGCSA-N 1 0 206.289 1.537 20 10 BDCDRO Nc1ccc(O[C@@H]2CC[C@@]23CC[NH2+]C3)cc1 ZINC001218113891 971599592 /nfs/dbraw/zinc/59/95/92/971599592.db2.gz GVIZGKQOISTKNH-OLZOCXBDSA-N 1 0 218.300 1.790 20 10 BDCDRO CCN1CCc2cc(O[C@@H]3C[NH2+][C@@H]3C)ccc21 ZINC001218393535 971773366 /nfs/dbraw/zinc/77/33/66/971773366.db2.gz VBTTWAPJYUJRJR-QMTHXVAHSA-N 1 0 232.327 1.808 20 10 BDCDRO Oc1ccc(C[NH2+][C@@H]2C[C@H]3C[C@H]3C2)cc1O ZINC000397836226 957849929 /nfs/dbraw/zinc/84/99/29/957849929.db2.gz MQPUEJMYWQNHJO-JGPRNRPPSA-N 1 0 219.284 1.986 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCNC1=O)c1cc(F)ccc1O ZINC000693908730 959531995 /nfs/dbraw/zinc/53/19/95/959531995.db2.gz RNVOQJOAOAXQIA-XVKPBYJWSA-N 1 0 238.262 1.070 20 10 BDCDRO C[C@@H]1CCN(CC[NH2+]Cc2ccccc2O)C1 ZINC000692601764 960333227 /nfs/dbraw/zinc/33/32/27/960333227.db2.gz FOZHECGSHDWEDD-GFCCVEGCSA-N 1 0 234.343 1.824 20 10 BDCDRO CCN1C[C@@H]2C[C@H]1C[N@@H+]2Cc1ccc(C)cc1O ZINC001140954718 960756731 /nfs/dbraw/zinc/75/67/31/960756731.db2.gz XBOSNPRMLAMHIK-KBPBESRZSA-N 1 0 246.354 1.979 20 10 BDCDRO Cc1ccc(C[NH+]2CC(C(=O)N(C)C)C2)c(O)c1 ZINC001140950969 960757265 /nfs/dbraw/zinc/75/72/65/960757265.db2.gz RGKSFMSERBILNY-UHFFFAOYSA-N 1 0 248.326 1.221 20 10 BDCDRO COc1cc(O)c(C[NH+]2CC=CC2)c(OC)c1 ZINC001141032118 960824973 /nfs/dbraw/zinc/82/49/73/960824973.db2.gz TVEKERKNAKQVKK-UHFFFAOYSA-N 1 0 235.283 1.781 20 10 BDCDRO CC[N@H+](C)Cc1ccc2c(c1)OCCN2C ZINC001141139168 960888391 /nfs/dbraw/zinc/88/83/91/960888391.db2.gz LOPQTSFTUIGHAX-UHFFFAOYSA-N 1 0 220.316 1.967 20 10 BDCDRO C[C@H]1CC[C@@H](CO)[N@@H+]1Cc1cc(O)ccc1O ZINC001141156277 960889511 /nfs/dbraw/zinc/88/95/11/960889511.db2.gz IUEJGOUUZVPSDK-ONGXEEELSA-N 1 0 237.299 1.443 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@]3(CCCO3)C2)c1 ZINC001141156746 960891592 /nfs/dbraw/zinc/89/15/92/960891592.db2.gz TYSCMEINIYTWSH-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO COc1ccc(CNC[C@H]2CCC[NH2+]2)cc1C ZINC000258898102 962096553 /nfs/dbraw/zinc/09/65/53/962096553.db2.gz LZGSRLKYKVWCOC-CYBMUJFWSA-N 1 0 234.343 1.845 20 10 BDCDRO CC[N@H+](Cc1ccccc1O)[C@H]1CCN(C)C1 ZINC000710529725 962404909 /nfs/dbraw/zinc/40/49/09/962404909.db2.gz CGHPCSGEWDQLKY-ZDUSSCGKSA-N 1 0 234.343 1.918 20 10 BDCDRO C[C@@]1([NH3+])CCN(Cc2ccc(N)cc2)C1 ZINC001204801190 963656639 /nfs/dbraw/zinc/65/66/39/963656639.db2.gz LCKUDWBRSVMLPD-GFCCVEGCSA-N 1 0 205.305 1.192 20 10 BDCDRO Nc1cccc(NCc2ccc(O)c(O)c2)[nH+]1 ZINC001158994834 963969714 /nfs/dbraw/zinc/96/97/14/963969714.db2.gz YIOUQTQGJKIIRI-UHFFFAOYSA-N 1 0 231.255 1.687 20 10 BDCDRO COc1cccc(N)c1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC001162399775 964959801 /nfs/dbraw/zinc/95/98/01/964959801.db2.gz DPUASFGLTTZDHZ-NXEZZACHSA-N 1 0 235.331 1.959 20 10 BDCDRO Nc1ccc(CNc2cc(C[NH3+])ncn2)cc1 ZINC001162783929 965171595 /nfs/dbraw/zinc/17/15/95/965171595.db2.gz CNTQPVVDPPAGQC-UHFFFAOYSA-N 1 0 229.287 1.130 20 10 BDCDRO [NH3+][C@H]1CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001205103110 965808194 /nfs/dbraw/zinc/80/81/94/965808194.db2.gz ZGRDQBAAJYVYSE-JTQLQIEISA-N 1 0 238.306 1.845 20 10 BDCDRO [NH3+][C@@H]1CCC[N@H+](Cc2c([O-])cccc2F)CC1 ZINC001205103111 965809718 /nfs/dbraw/zinc/80/97/18/965809718.db2.gz ZGRDQBAAJYVYSE-SNVBAGLBSA-N 1 0 238.306 1.845 20 10 BDCDRO Cc1c(O)ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)c1O ZINC001235990605 966211496 /nfs/dbraw/zinc/21/14/96/966211496.db2.gz KLILDQKWWJCPJT-SMDDNHRTSA-N 1 0 248.326 1.329 20 10 BDCDRO Cc1ccc(C)c(CN2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236024895 966240306 /nfs/dbraw/zinc/24/03/06/966240306.db2.gz JSTRENNLUWTDNY-FZMZJTMJSA-N 1 0 232.327 1.542 20 10 BDCDRO Cc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236284163 966335273 /nfs/dbraw/zinc/33/52/73/966335273.db2.gz HELZOPDLVVSCLS-NWDGAFQWSA-N 1 0 218.300 1.104 20 10 BDCDRO CCOc1cccc(CN2C[C@H]3C[NH2+]C[C@@H]32)c1O ZINC001236286199 966339120 /nfs/dbraw/zinc/33/91/20/966339120.db2.gz LTCBRTGHWYZCHS-NEPJUHHUSA-N 1 0 248.326 1.195 20 10 BDCDRO COc1cccc(CN(C)CC(C)=O)c1O ZINC001203585182 966694564 /nfs/dbraw/zinc/69/45/64/966694564.db2.gz NDHKVRABTGZZTR-UHFFFAOYSA-N 1 0 223.272 1.422 20 10 BDCDRO COc1ccc(C[NH+]2CC3(COC3)C2)c(O)c1 ZINC001203620386 966708290 /nfs/dbraw/zinc/70/82/90/966708290.db2.gz CTTKVQKGFDBPQC-UHFFFAOYSA-N 1 0 235.283 1.233 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@@]23CCOC3)c(O)c1 ZINC001203634883 966716874 /nfs/dbraw/zinc/71/68/74/966716874.db2.gz ZPIQUJDHOYMJGD-AWEZNQCLSA-N 1 0 249.310 1.766 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(O)c1 ZINC001203634884 966717269 /nfs/dbraw/zinc/71/72/69/966717269.db2.gz ZPIQUJDHOYMJGD-CQSZACIVSA-N 1 0 249.310 1.766 20 10 BDCDRO C[C@@H]1[C@H](CO)CC[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203874908 966805346 /nfs/dbraw/zinc/80/53/46/966805346.db2.gz FAFNBLIIHMVYKZ-KOLCDFICSA-N 1 0 237.299 1.301 20 10 BDCDRO C[C@@H]1COCC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203874671 966806320 /nfs/dbraw/zinc/80/63/20/966806320.db2.gz BHKOVTLKXSDGSK-JTQLQIEISA-N 1 0 237.299 1.566 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C[C@H]1O ZINC001204276073 966951502 /nfs/dbraw/zinc/95/15/02/966951502.db2.gz FTJDUFXMHQKIHH-NOZJJQNGSA-N 1 0 237.299 1.301 20 10 BDCDRO CC[N@H+](CCOC)Cc1ccc(O)cc1O ZINC001204272211 966955118 /nfs/dbraw/zinc/95/51/18/966955118.db2.gz JRQRYGOEYQCRRD-UHFFFAOYSA-N 1 0 225.288 1.566 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204276096 966956011 /nfs/dbraw/zinc/95/60/11/966956011.db2.gz GLLFPMKIAKDNBR-CABZTGNLSA-N 1 0 237.299 1.301 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCOC3(CC3)C2)c(O)c1 ZINC001204277483 966959185 /nfs/dbraw/zinc/95/91/85/966959185.db2.gz DXYACATWFCMLJV-UHFFFAOYSA-N 1 0 235.283 1.463 20 10 BDCDRO Oc1ccc(C[NH+]2CC3(CSC3)C2)c(O)c1 ZINC001204278102 966960796 /nfs/dbraw/zinc/96/07/96/966960796.db2.gz SWXQFNZDHJYIOF-UHFFFAOYSA-N 1 0 237.324 1.647 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC[C@@]23CCOC3)c(O)c1 ZINC001204279962 966960815 /nfs/dbraw/zinc/96/08/15/966960815.db2.gz GPEULJRTOMGWRI-AWEZNQCLSA-N 1 0 249.310 1.853 20 10 BDCDRO O[C@@H]1CC[N@H+](Cc2ccc(N3CCCC3)cc2)C1 ZINC001204320328 966971752 /nfs/dbraw/zinc/97/17/52/966971752.db2.gz STILPYBQCLSXNP-OAHLLOKOSA-N 1 0 246.354 1.853 20 10 BDCDRO CN1CC[C@H]2C[N@H+](Cc3ccccc3O)C[C@H]21 ZINC001203558490 967009910 /nfs/dbraw/zinc/00/99/10/967009910.db2.gz KGKVPNFOPYEGLX-WCQYABFASA-N 1 0 232.327 1.528 20 10 BDCDRO CN(C)c1ccc(CN2CCC[NH2+]CC2)c(O)c1 ZINC001204675141 967131273 /nfs/dbraw/zinc/13/12/73/967131273.db2.gz IGTUVXPXZFQUGV-UHFFFAOYSA-N 1 0 249.358 1.254 20 10 BDCDRO C[C@H]1CC[C@@H](C[NH3+])N1Cc1cccc(F)c1O ZINC001205068166 967326036 /nfs/dbraw/zinc/32/60/36/967326036.db2.gz DSHSIUFKTVTOIP-ONGXEEELSA-N 1 0 238.306 1.843 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2C[C@@H]3COC[C@H]23)c(O)c1 ZINC001205517271 967657611 /nfs/dbraw/zinc/65/76/11/967657611.db2.gz LPTDQWNOHUOFRE-KGYLQXTDSA-N 1 0 249.310 1.525 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCNC2=O)c(O)c1 ZINC000710445067 967956123 /nfs/dbraw/zinc/95/61/23/967956123.db2.gz NAMKICJCAFUSOU-ONGXEEELSA-N 1 0 234.299 1.240 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N)cc2)C[C@H]1[NH3+] ZINC001206070438 968040936 /nfs/dbraw/zinc/04/09/36/968040936.db2.gz JNMXAFYMUXFCPY-BXKDBHETSA-N 1 0 205.305 1.048 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1[NH2+]C[C@@H]2C[C@@H]21)c1ccccc1O ZINC001119006275 968268533 /nfs/dbraw/zinc/26/85/33/968268533.db2.gz VGIHHVJGVQYFJO-UPBCOZELSA-N 1 0 246.310 1.177 20 10 BDCDRO COc1ccc(C[NH2+][C@H]2CCOC2)c(O)c1 ZINC000087784037 968857810 /nfs/dbraw/zinc/85/78/10/968857810.db2.gz KUTMMAZMRPPNJE-JTQLQIEISA-N 1 0 223.272 1.279 20 10 BDCDRO CC(C)[C@H](O)C[NH2+]CCc1ccc(O)c(O)c1 ZINC001253780967 969402266 /nfs/dbraw/zinc/40/22/66/969402266.db2.gz YSXFGPFYAMKJQS-CYBMUJFWSA-N 1 0 239.315 1.247 20 10 BDCDRO Fc1cc(N2CCOCC2)ccc1C1=CC[NH2+]C1 ZINC001243112438 970360538 /nfs/dbraw/zinc/36/05/38/970360538.db2.gz WAHFQFWEEFIWCV-UHFFFAOYSA-N 1 0 248.301 1.649 20 10 BDCDRO CNc1ccccc1NCC1C[NH+](C)C1 ZINC001170259687 970645347 /nfs/dbraw/zinc/64/53/47/970645347.db2.gz ZIGHISLJYKKBTN-UHFFFAOYSA-N 1 0 205.305 1.702 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC3(CC3)C2)c(O)c1 ZINC001144504139 972850842 /nfs/dbraw/zinc/85/08/42/972850842.db2.gz MQHHNGQDQZPABE-UHFFFAOYSA-N 1 0 235.283 1.789 20 10 BDCDRO Nc1ccc(C[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000042825297 973089703 /nfs/dbraw/zinc/08/97/03/973089703.db2.gz JLZUPUMLLOIWIK-ZDUSSCGKSA-N 1 0 220.316 1.928 20 10 BDCDRO Nc1cc(Nc2cc[nH+]cc2)c(O)cc1O ZINC001173884595 975963682 /nfs/dbraw/zinc/96/36/82/975963682.db2.gz MKVNJEVJHPCHTH-UHFFFAOYSA-N 1 0 217.228 1.241 20 10 BDCDRO COc1cccc(O)c1Nc1cc[nH+]cc1 ZINC001173884662 975968282 /nfs/dbraw/zinc/96/82/82/975968282.db2.gz QFIHPAYWIXTSAH-UHFFFAOYSA-N 1 0 216.240 1.961 20 10 BDCDRO COC(=O)[C@]1(C)CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001334773997 976635896 /nfs/dbraw/zinc/63/58/96/976635896.db2.gz CBHUFAPERVPIBA-CQSZACIVSA-N 1 0 248.326 1.654 20 10 BDCDRO C[NH2+]C1CCN(Cc2ccc(N)cc2)CC1 ZINC001335285568 976922694 /nfs/dbraw/zinc/92/26/94/976922694.db2.gz PRUWPAPCAKPYSF-UHFFFAOYSA-N 1 0 219.332 1.453 20 10 BDCDRO C[C@H]1[C@H](CO)CCC[N@@H+]1Cc1ccc(N)cc1 ZINC001335288428 976928336 /nfs/dbraw/zinc/92/83/36/976928336.db2.gz FVEKJEDXLVGCRC-AAEUAGOBSA-N 1 0 234.343 1.862 20 10 BDCDRO C[N@@H+]1CCC=C(Nc2ccc(N)cc2)C1 ZINC001175580728 977603829 /nfs/dbraw/zinc/60/38/29/977603829.db2.gz RCPAONSIEYGAPL-UHFFFAOYSA-N 1 0 203.289 1.900 20 10 BDCDRO c1cc(N2CCCC2)ccc1C[NH2+][C@@H]1CNOC1 ZINC001336287098 977620099 /nfs/dbraw/zinc/62/00/99/977620099.db2.gz XOBQCMBZARNCKV-CYBMUJFWSA-N 1 0 247.342 1.280 20 10 BDCDRO COc1cc(C[NH+]2CC(C)C2)c(O)cc1O ZINC001231634037 977651307 /nfs/dbraw/zinc/65/13/07/977651307.db2.gz GPCDCBDVABEVBE-UHFFFAOYSA-N 1 0 223.272 1.558 20 10 BDCDRO COc1cc(C[N@@H+]2CC[C@H]2C)c(O)cc1O ZINC001231635094 977656446 /nfs/dbraw/zinc/65/64/46/977656446.db2.gz VSZJWSGCCTZXSY-MRVPVSSYSA-N 1 0 223.272 1.701 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CC(C)(O)C2)c(O)c1 ZINC001231842136 977763763 /nfs/dbraw/zinc/76/37/63/977763763.db2.gz KESFKZGHKLWQTL-UHFFFAOYSA-N 1 0 221.300 1.576 20 10 BDCDRO Cc1cc(C)c(C[N@@H+]2CCC[C@H](O)C2)c(O)c1 ZINC001231842653 977763857 /nfs/dbraw/zinc/76/38/57/977763857.db2.gz WPGAEGBKCAUOFA-LBPRGKRZSA-N 1 0 235.327 1.966 20 10 BDCDRO C[NH+](C)Cc1cc(Cl)c(O)cc1O ZINC001232258564 977983158 /nfs/dbraw/zinc/98/31/58/977983158.db2.gz KNIOIRSIBXKBJC-UHFFFAOYSA-N 1 0 201.653 1.813 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)C2COC2)c(O)c1 ZINC001232838645 978308150 /nfs/dbraw/zinc/30/81/50/978308150.db2.gz IDZYALQHYIRGHZ-UHFFFAOYSA-N 1 0 236.315 1.289 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)c(O)c2)C1 ZINC001233009999 978408334 /nfs/dbraw/zinc/40/83/34/978408334.db2.gz GMNWZCUCUBEHPX-QMMMGPOBSA-N 1 0 223.272 1.645 20 10 BDCDRO CC1(C)[C@@H]2C[N@@H+](Cc3cc(O)c(O)c(O)c3)C[C@@H]21 ZINC001233016524 978412481 /nfs/dbraw/zinc/41/24/81/978412481.db2.gz GSJJTZGGYNEENT-AOOOYVTPSA-N 1 0 249.310 1.891 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@@H]2CF)cc1O ZINC001233487727 978611424 /nfs/dbraw/zinc/61/14/24/978611424.db2.gz PSNJEQVEZDFDBC-SECBINFHSA-N 1 0 241.262 1.737 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233482972 978612574 /nfs/dbraw/zinc/61/25/74/978612574.db2.gz JIMNSNAPPFBOGG-SECBINFHSA-N 1 0 239.271 1.024 20 10 BDCDRO CC(=O)[C@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277401 978930916 /nfs/dbraw/zinc/93/09/16/978930916.db2.gz CTUOXWVCLHSXTP-JTQLQIEISA-N 1 0 235.283 1.509 20 10 BDCDRO C[NH+](C)C1(C)CN(Cc2ccc(O)cc2O)C1 ZINC001204278895 978931025 /nfs/dbraw/zinc/93/10/25/978931025.db2.gz MEYIKCFOMLKGAG-UHFFFAOYSA-N 1 0 236.315 1.234 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@]23CCOC3)c(O)c1 ZINC001204278202 978931107 /nfs/dbraw/zinc/93/11/07/978931107.db2.gz XXYRMLXYPRDKPX-CYBMUJFWSA-N 1 0 235.283 1.463 20 10 BDCDRO Cc1ccc(O)c(CN2CC[C@@H]3[NH2+]CC[C@H]32)c1 ZINC001235044132 978961608 /nfs/dbraw/zinc/96/16/08/978961608.db2.gz JLXMZKSQFKINCJ-QWHCGFSZSA-N 1 0 232.327 1.637 20 10 BDCDRO Oc1cccc(F)c1CN1CC[C@@H]2[NH2+]CC[C@H]21 ZINC001235042103 978961638 /nfs/dbraw/zinc/96/16/38/978961638.db2.gz PXEPMVDRZFJFAT-NWDGAFQWSA-N 1 0 236.290 1.468 20 10 BDCDRO Cc1cc(C)c(CN2CC[C@H]3[NH2+]CC[C@H]32)c(O)c1 ZINC001235079014 978971803 /nfs/dbraw/zinc/97/18/03/978971803.db2.gz MUWYYEPNLMYBAN-ZIAGYGMSSA-N 1 0 246.354 1.945 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CCN(Cc1cc(O)ccc1O)C2 ZINC001235159381 978984750 /nfs/dbraw/zinc/98/47/50/978984750.db2.gz RJAXYJNFWIDZPR-GXFFZTMASA-N 1 0 234.299 1.021 20 10 BDCDRO [NH3+][C@]12CC[C@H]1CN(Cc1ccccc1O)C2 ZINC001235977267 979238843 /nfs/dbraw/zinc/23/88/43/979238843.db2.gz FYUAGQBMNBEJSQ-AAEUAGOBSA-N 1 0 218.300 1.315 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@H]3C[C@@]3([NH3+])C2)c1 ZINC001236025217 979318896 /nfs/dbraw/zinc/31/88/96/979318896.db2.gz KTPOLUUOAMEZSI-DGCLKSJQSA-N 1 0 218.300 1.234 20 10 BDCDRO Cc1cc(C)c(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236288505 979493264 /nfs/dbraw/zinc/49/32/64/979493264.db2.gz IDTBWVWSNYCHGN-DGCLKSJQSA-N 1 0 232.327 1.413 20 10 BDCDRO CC(C)c1ccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236292584 979499662 /nfs/dbraw/zinc/49/96/62/979499662.db2.gz NJVLQBQFHALFJJ-UONOGXRCSA-N 1 0 246.354 1.919 20 10 BDCDRO COc1cc(C)c(C[N@@H+]2C[C@@H]3C[C@H]2CO3)c(O)c1 ZINC001236811308 979747798 /nfs/dbraw/zinc/74/77/98/979747798.db2.gz OIRHFCDZIRKVCM-JQWIXIFHSA-N 1 0 249.310 1.682 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CC[C@H]2O)cc1Cl ZINC001343077574 979998381 /nfs/dbraw/zinc/99/83/81/979998381.db2.gz PQCDNTOPKKNZEX-GHMZBOCLSA-N 1 0 241.718 1.967 20 10 BDCDRO C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001343567327 980150604 /nfs/dbraw/zinc/15/06/04/980150604.db2.gz PESBKEKLWYXZQC-ZDUSSCGKSA-N 1 0 247.342 1.369 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1CC(=O)N(C)c1ccc(N)cc1 ZINC001344369245 980376870 /nfs/dbraw/zinc/37/68/70/980376870.db2.gz REVJMKIPJGKJHW-GHMZBOCLSA-N 1 0 247.342 1.477 20 10 BDCDRO Nc1ccc(CN2CCC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC001345159830 980569756 /nfs/dbraw/zinc/56/97/56/980569756.db2.gz NQWZSVHMNVCNOE-GXTWGEPZSA-N 1 0 231.343 1.453 20 10 BDCDRO Cn1c(=O)cc(C2=CCC[NH2+]C2)c2ccccc21 ZINC001240670063 981580221 /nfs/dbraw/zinc/58/02/21/981580221.db2.gz DKLPSQWJPMISID-UHFFFAOYSA-N 1 0 240.306 1.915 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)cc1O ZINC001203875153 982555128 /nfs/dbraw/zinc/55/51/28/982555128.db2.gz JCXUENDQLIXOGJ-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO C[N@@H+]1C[C@@H]2CCN(Cc3ccc(O)c(O)c3)[C@@H]2C1 ZINC001275821395 984674545 /nfs/dbraw/zinc/67/45/45/984674545.db2.gz PEYMBPKCORELGD-NWDGAFQWSA-N 1 0 248.326 1.234 20 10 BDCDRO CN(C)c1ccc(CN2[C@@H]3C[C@H]2C[N@@H+](C)C3)cc1 ZINC001275833710 984683391 /nfs/dbraw/zinc/68/33/91/984683391.db2.gz PPFKNNFIOSCBFY-GASCZTMLSA-N 1 0 245.370 1.641 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](O)C(C)(C)O)c1ccccc1O ZINC001460635124 985869215 /nfs/dbraw/zinc/86/92/15/985869215.db2.gz BKCZUCCJJUHGBR-SKDRFNHKSA-N 1 0 239.315 1.175 20 10 BDCDRO C[C@H]([NH3+])CC[NH2+]Cc1ccc(Cl)cc1[O-] ZINC001579480280 986001111 /nfs/dbraw/zinc/00/11/11/986001111.db2.gz ZZOFJEDUYQPPDK-QMMMGPOBSA-N 1 0 228.723 1.873 20 10 BDCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)C(=O)NC ZINC000697934833 987369641 /nfs/dbraw/zinc/36/96/41/987369641.db2.gz GDQWIRRTSBZAJC-JTQLQIEISA-N 1 0 240.278 1.146 20 10 BDCDRO COC(=O)[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1O ZINC001116771990 987703075 /nfs/dbraw/zinc/70/30/75/987703075.db2.gz XUMFJJQFVQDQKZ-NWDGAFQWSA-N 1 0 249.310 1.824 20 10 BDCDRO CN1CC[C@H]1C[NH2+]Cc1ccc(Cl)cc1O ZINC001474716729 987807944 /nfs/dbraw/zinc/80/79/44/987807944.db2.gz BTGIABOECPIKJK-NSHDSACASA-N 1 0 240.734 1.839 20 10 BDCDRO CC[C@H]([NH2+]Cc1c(O)cccc1OC)[C@H](C)O ZINC001325133332 989100521 /nfs/dbraw/zinc/10/05/21/989100521.db2.gz PIVRNMDTXAPWHX-ONGXEEELSA-N 1 0 239.315 1.650 20 10 BDCDRO Nc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)cc1 ZINC001120370957 989642131 /nfs/dbraw/zinc/64/21/31/989642131.db2.gz KZGFZNGIBQTFBG-LBPRGKRZSA-N 1 0 224.279 1.175 20 10 BDCDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(N)cc1 ZINC001524009419 989965739 /nfs/dbraw/zinc/96/57/39/989965739.db2.gz QUOBPNUKDRZVNO-UHFFFAOYSA-N 1 0 249.358 1.650 20 10 BDCDRO CC(C)(C[NH3+])CC(=O)NCc1ccc(N)cc1 ZINC001122539442 990411770 /nfs/dbraw/zinc/41/17/70/990411770.db2.gz MFZJWYVNKUSRFS-UHFFFAOYSA-N 1 0 235.331 1.260 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C[C@H]1O ZINC001138123773 990886631 /nfs/dbraw/zinc/88/66/31/990886631.db2.gz LDYNZELRUFXMNO-BXKDBHETSA-N 1 0 239.290 1.734 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1C[C@@H]2CC[C@H]1O2 ZINC001308989292 991256495 /nfs/dbraw/zinc/25/64/95/991256495.db2.gz ZNCOWWBTNQLBHB-DMDPSCGWSA-N 1 0 237.274 1.941 20 10 BDCDRO CC[N@H+](Cc1cc(F)ccc1O)C1CN(C)C1 ZINC001140060084 991507777 /nfs/dbraw/zinc/50/77/77/991507777.db2.gz KDQOBKYMSWBXJL-UHFFFAOYSA-N 1 0 238.306 1.667 20 10 BDCDRO C[N@@H+]1C[C@@H]2C[C@H]1CN2Cc1cc(F)ccc1O ZINC001140055439 991511693 /nfs/dbraw/zinc/51/16/93/991511693.db2.gz YOMRTSKRWIEOEB-RYUDHWBXSA-N 1 0 236.290 1.420 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](O)C2)c1O ZINC001140180720 991550118 /nfs/dbraw/zinc/55/01/18/991550118.db2.gz PIOVVRHOQNMAKQ-GFCCVEGCSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](C(N)=O)C2)c1O ZINC001140182296 991559252 /nfs/dbraw/zinc/55/92/52/991559252.db2.gz NQEDDNQWEVEQQY-LLVKDONJSA-N 1 0 248.326 1.316 20 10 BDCDRO OCC1C[NH+](Cc2ccc(Cl)cc2O)C1 ZINC001140467285 991642948 /nfs/dbraw/zinc/64/29/48/991642948.db2.gz UIRGGJPRMPBFKG-UHFFFAOYSA-N 1 0 227.691 1.470 20 10 BDCDRO CC[C@](C)(CCO)[NH2+]Cc1ccc(N)cc1 ZINC001262487789 992893458 /nfs/dbraw/zinc/89/34/58/992893458.db2.gz GEOMNLLKBADHOM-CYBMUJFWSA-N 1 0 222.332 1.910 20 10 BDCDRO CCOC[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC000383288134 993486920 /nfs/dbraw/zinc/48/69/20/993486920.db2.gz MJSHHDQTZONJBO-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccnn1C)c1ccccc1O ZINC000071333131 398147043 /nfs/dbraw/zinc/14/70/43/398147043.db2.gz CFYNLBOCSUFDAV-SNVBAGLBSA-N 1 0 231.299 1.977 20 10 BDCDRO Cc1cc(O)c(C[N@H+](C)CCO)cc1C ZINC000127914702 178195965 /nfs/dbraw/zinc/19/59/65/178195965.db2.gz SNLZKXFHVLLEAR-UHFFFAOYSA-N 1 0 209.289 1.433 20 10 BDCDRO CC[C@@H](O)CC[NH2+]Cc1cccc(OC)c1O ZINC000127403823 345179309 /nfs/dbraw/zinc/17/93/09/345179309.db2.gz HLNNAVCGFGNSNB-LLVKDONJSA-N 1 0 239.315 1.651 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CCC[C@H]2CO)cc1C ZINC000092455743 345621087 /nfs/dbraw/zinc/62/10/87/345621087.db2.gz FXJMCFLFQDTULY-ZDUSSCGKSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cccc(C[N@H+](C)CCCO)c1O ZINC000281722875 179067930 /nfs/dbraw/zinc/06/79/30/179067930.db2.gz IQFMMRSCDOXZGX-UHFFFAOYSA-N 1 0 209.289 1.515 20 10 BDCDRO Cc1cccc(CN2CC[N@@H+]3CCC[C@@H]3C2)c1O ZINC000124595710 179077592 /nfs/dbraw/zinc/07/75/92/179077592.db2.gz NIDSSBGVZJDEDF-CQSZACIVSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000132486436 179077822 /nfs/dbraw/zinc/07/78/22/179077822.db2.gz COAOLCAPPABMIQ-GFCCVEGCSA-N 1 0 221.300 1.657 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](CO)C2)c1O ZINC000132498774 179079381 /nfs/dbraw/zinc/07/93/81/179079381.db2.gz IHBUAVIEQVTPEP-LLVKDONJSA-N 1 0 221.300 1.515 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000367777115 179083964 /nfs/dbraw/zinc/08/39/64/179083964.db2.gz IANJXJBWEYKJEB-ITGUQSILSA-N 1 0 233.311 1.371 20 10 BDCDRO Cc1cccc(C[NH2+]CC(=O)NC(C)C)c1O ZINC000124640742 179089904 /nfs/dbraw/zinc/08/99/04/179089904.db2.gz POGSTTCJZHWMEO-UHFFFAOYSA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H](C)CCO)c1 ZINC000085126297 191008617 /nfs/dbraw/zinc/00/86/17/191008617.db2.gz CSWJMSMLCLLTOX-NSHDSACASA-N 1 0 223.316 1.809 20 10 BDCDRO [NH3+][C@H]1CC=C(C(=O)N2CCc3ccccc32)C1 ZINC000637871339 351733049 /nfs/dbraw/zinc/73/30/49/351733049.db2.gz LYSCEAFAJZSMPZ-LBPRGKRZSA-N 1 0 228.295 1.623 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@H](O)C(F)F ZINC000295127615 353802782 /nfs/dbraw/zinc/80/27/82/353802782.db2.gz XOJSIWYRSIWTRQ-KOLCDFICSA-N 1 0 245.269 1.886 20 10 BDCDRO Nc1ccc(CC(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000262597526 181360163 /nfs/dbraw/zinc/36/01/63/181360163.db2.gz KUMNYOMDPUMYNX-UHFFFAOYSA-N 1 0 247.342 1.199 20 10 BDCDRO OCCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000083362454 183047024 /nfs/dbraw/zinc/04/70/24/183047024.db2.gz VZULUNQTNSJHTB-UHFFFAOYSA-N 1 0 235.327 1.874 20 10 BDCDRO OCCC[NH2+]Cc1c(O)cccc1Cl ZINC000083551238 183059026 /nfs/dbraw/zinc/05/90/26/183059026.db2.gz VOCCKAFWHIUOCT-UHFFFAOYSA-N 1 0 215.680 1.518 20 10 BDCDRO O[C@@H]1CC[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000188849994 183204013 /nfs/dbraw/zinc/20/40/13/183204013.db2.gz TWVHGIWHVVOUHV-GXTWGEPZSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCn1ccnc1 ZINC000226582680 183274721 /nfs/dbraw/zinc/27/47/21/183274721.db2.gz CUHPVAJYWUBTIC-UHFFFAOYSA-N 1 0 235.262 1.518 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+]C[C@H](O)C1CC1 ZINC000083599854 183292402 /nfs/dbraw/zinc/29/24/02/183292402.db2.gz IFZQPOGBJMMXQG-LBPRGKRZSA-N 1 0 241.718 1.906 20 10 BDCDRO c1cc(C[NH2+]C[C@@H]2COCCO2)cc2c1OCC2 ZINC000038052587 183368165 /nfs/dbraw/zinc/36/81/65/183368165.db2.gz NSGCCTCJKARSJY-CYBMUJFWSA-N 1 0 249.310 1.127 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052480 383824729 /nfs/dbraw/zinc/82/47/29/383824729.db2.gz QLYMTGCCTHJOGC-LBPRGKRZSA-N 1 0 223.316 1.864 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[NH2+]1 ZINC000037823726 384025707 /nfs/dbraw/zinc/02/57/07/384025707.db2.gz SJRPNYJELHNESX-NSHDSACASA-N 1 0 234.299 1.103 20 10 BDCDRO COC[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000072629625 384013843 /nfs/dbraw/zinc/01/38/43/384013843.db2.gz IBVFMJLFYQFRMG-JTQLQIEISA-N 1 0 209.289 1.859 20 10 BDCDRO C[C@@H](CO)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000077421952 384067685 /nfs/dbraw/zinc/06/76/85/384067685.db2.gz JEZVMNNYFZAZIL-VHSXEESVSA-N 1 0 209.289 1.499 20 10 BDCDRO C[C@H]([NH2+]C1CC1)C(=O)N(C)Cc1ccccc1O ZINC000296454123 384141480 /nfs/dbraw/zinc/14/14/80/384141480.db2.gz OJCGOTAPTJKRMY-JTQLQIEISA-N 1 0 248.326 1.491 20 10 BDCDRO C[C@H](CCO)[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000132546772 384235793 /nfs/dbraw/zinc/23/57/93/384235793.db2.gz AKKOQATZGVEWMQ-BDAKNGLRSA-N 1 0 227.279 1.953 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CCOC[C@@H]2C)c1 ZINC000132605207 384239189 /nfs/dbraw/zinc/23/91/89/384239189.db2.gz HTHVMGYXEQOQPS-NSHDSACASA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)CC(=O)N(C)C)c1 ZINC000132120232 384217760 /nfs/dbraw/zinc/21/77/60/384217760.db2.gz KFLRMGYBZZMAAW-UHFFFAOYSA-N 1 0 236.315 1.221 20 10 BDCDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000134735137 384383336 /nfs/dbraw/zinc/38/33/36/384383336.db2.gz AKKCRFDCTQIEJJ-GHMZBOCLSA-N 1 0 221.300 1.595 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2CCCNC2=O)c1 ZINC000050394925 384622878 /nfs/dbraw/zinc/62/28/78/384622878.db2.gz SMJBGLWKCLSXRA-JQWIXIFHSA-N 1 0 248.326 1.630 20 10 BDCDRO C[C@@H]([NH2+]CCO)c1cc2c(cc1O)CCCC2 ZINC000184890326 384660306 /nfs/dbraw/zinc/66/03/06/384660306.db2.gz QGPDCQOMGHNUME-SNVBAGLBSA-N 1 0 235.327 1.914 20 10 BDCDRO C[C@H]([NH2+]CCO)c1cc2c(cc1O)CCCC2 ZINC000184890308 384660589 /nfs/dbraw/zinc/66/05/89/384660589.db2.gz QGPDCQOMGHNUME-JTQLQIEISA-N 1 0 235.327 1.914 20 10 BDCDRO COC[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083748641 384796141 /nfs/dbraw/zinc/79/61/41/384796141.db2.gz MYASJQAGJQEQIP-QMMMGPOBSA-N 1 0 245.706 1.143 20 10 BDCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N2CCCC2)cc1 ZINC000083884420 384808025 /nfs/dbraw/zinc/80/80/25/384808025.db2.gz UHRBBODRIIHMSS-NSHDSACASA-N 1 0 247.342 1.250 20 10 BDCDRO C[C@H](C[NH2+]Cc1ccccc1O)N(C)C1CC1 ZINC000105488257 384870165 /nfs/dbraw/zinc/87/01/65/384870165.db2.gz VBNXYEUSZNCLRU-LLVKDONJSA-N 1 0 234.343 1.965 20 10 BDCDRO C[C@H](C[S@](C)=O)[NH2+][C@@H](C)c1ccccc1O ZINC000164490325 384998108 /nfs/dbraw/zinc/99/81/08/384998108.db2.gz LAYSUMWEBRFCOO-KCWFYHRYSA-N 1 0 241.356 1.810 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)CCO)cc1F ZINC000127913992 384962912 /nfs/dbraw/zinc/96/29/12/384962912.db2.gz GXEZCQVFRQLEHD-UHFFFAOYSA-N 1 0 226.295 1.316 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C(=O)NCC[C@H]2C)c1 ZINC000193692235 385409048 /nfs/dbraw/zinc/40/90/48/385409048.db2.gz UIIMQPUZGSFFKD-ZWNOBZJWSA-N 1 0 248.326 1.315 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]CCCO)c(O)c1 ZINC000020188563 385423703 /nfs/dbraw/zinc/42/37/03/385423703.db2.gz SLDLGLJMPFMBTC-SNVBAGLBSA-N 1 0 209.289 1.734 20 10 BDCDRO CN(C)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000156069371 385433995 /nfs/dbraw/zinc/43/39/95/385433995.db2.gz KDLUGPITGMXEEF-ZDUSSCGKSA-N 1 0 234.343 1.918 20 10 BDCDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1cccc(C)c1O ZINC000179660992 385482313 /nfs/dbraw/zinc/48/23/13/385482313.db2.gz HFYCYAGMWGRWNV-GFCCVEGCSA-N 1 0 249.310 1.838 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@](C)(O)C2)cc1 ZINC000180183177 385510802 /nfs/dbraw/zinc/51/08/02/385510802.db2.gz FPSUVSZHBYXAFL-CQSZACIVSA-N 1 0 234.343 1.709 20 10 BDCDRO Cc1ccc(O)c(CN2CC(=O)N(C)[C@H](C)C2)c1 ZINC000282266896 385747289 /nfs/dbraw/zinc/74/72/89/385747289.db2.gz CIWLNOVUPNECSB-LLVKDONJSA-N 1 0 248.326 1.363 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CCC(CO)CC2)c1 ZINC000271029820 385772632 /nfs/dbraw/zinc/77/26/32/385772632.db2.gz GFPLMPIQNAIJOJ-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1O ZINC000183629691 385779425 /nfs/dbraw/zinc/77/94/25/385779425.db2.gz JOQGPRGPCPOCSW-MFKMUULPSA-N 1 0 237.299 1.194 20 10 BDCDRO C[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccccc1O ZINC000272864232 385946074 /nfs/dbraw/zinc/94/60/74/385946074.db2.gz NLFPUZFQVHALLO-MNOVXSKESA-N 1 0 246.314 1.723 20 10 BDCDRO CO[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1OC ZINC000234883892 386111955 /nfs/dbraw/zinc/11/19/55/386111955.db2.gz UECJBNHHLOIQLA-BETUJISGSA-N 1 0 237.299 1.238 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCc2cn[nH]c2)cc1 ZINC000289992901 386266115 /nfs/dbraw/zinc/26/61/15/386266115.db2.gz XQVYDQWISTWXLN-UHFFFAOYSA-N 1 0 244.342 1.808 20 10 BDCDRO C[N@H+](CCCCO)Cc1cc(F)ccc1O ZINC000276613428 386353855 /nfs/dbraw/zinc/35/38/55/386353855.db2.gz GYBSRNDJCXGLPJ-UHFFFAOYSA-N 1 0 227.279 1.736 20 10 BDCDRO CC[NH+](CC)CC(=O)NCc1ccccc1O ZINC000299585290 386469339 /nfs/dbraw/zinc/46/93/39/386469339.db2.gz RZGVWZOCCLODCL-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000299548735 386465207 /nfs/dbraw/zinc/46/52/07/386465207.db2.gz QFVFSXDECYYDOV-LBPRGKRZSA-N 1 0 248.326 1.445 20 10 BDCDRO COC[C@@H](CCO)[NH2+][C@@H](C)c1ccccc1O ZINC000228793911 386618472 /nfs/dbraw/zinc/61/84/72/386618472.db2.gz SPWVTWJNSOXVAH-WDEREUQCSA-N 1 0 239.315 1.440 20 10 BDCDRO CO[C@H](C)C[NH2+]Cc1cccc(C)c1O ZINC000191203638 386774178 /nfs/dbraw/zinc/77/41/78/386774178.db2.gz KNUMPAKDOWJTCS-SNVBAGLBSA-N 1 0 209.289 1.825 20 10 BDCDRO C[C@@H](C[NH3+])NCc1ccc2c(c1)CCO2 ZINC000162047135 387299834 /nfs/dbraw/zinc/29/98/34/387299834.db2.gz YDEKOGOSGFVSJZ-VIFPVBQESA-N 1 0 206.289 1.058 20 10 BDCDRO Oc1c(F)cccc1CN1CC(n2ccnn2)C1 ZINC000378543558 387788943 /nfs/dbraw/zinc/78/89/43/387788943.db2.gz WXYIWCDENCROGN-UHFFFAOYSA-N 1 0 248.261 1.180 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCCN2C)cc1 ZINC000221162753 387930024 /nfs/dbraw/zinc/93/00/24/387930024.db2.gz USGLSNQBJOSJRG-HNNXBMFYSA-N 1 0 247.386 1.936 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@H](O)C(F)(F)F)c1 ZINC000226646642 387950536 /nfs/dbraw/zinc/95/05/36/387950536.db2.gz OTOAGTMUTJZYCL-JTQLQIEISA-N 1 0 249.232 1.713 20 10 BDCDRO C[C@H](CO)C[NH2+]Cc1cc(F)ccc1O ZINC000226586252 388724544 /nfs/dbraw/zinc/72/45/44/388724544.db2.gz YZJFCRSJFNISOD-QMMMGPOBSA-N 1 0 213.252 1.249 20 10 BDCDRO COc1ccc(N2CCN(C[C@H](C)[NH3+])CC2)cc1 ZINC000019275602 132324553 /nfs/dbraw/zinc/32/45/53/132324553.db2.gz YGDCCZHHAZMAMZ-LBPRGKRZSA-N 1 0 249.358 1.164 20 10 BDCDRO CC[C@@H](CO)[NH2+]Cc1cc(C)c(C)cc1O ZINC000164406880 135243217 /nfs/dbraw/zinc/24/32/17/135243217.db2.gz DHRCJTLIAHHZED-LBPRGKRZSA-N 1 0 223.316 1.870 20 10 BDCDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc(N)cc1 ZINC000262614251 135308656 /nfs/dbraw/zinc/30/86/56/135308656.db2.gz FIOBAFSILPNZBJ-UHFFFAOYSA-N 1 0 249.358 1.445 20 10 BDCDRO CN1CC[C@@H]2CC[N@H+](Cc3ccccc3O)C[C@H]21 ZINC000378499298 173133046 /nfs/dbraw/zinc/13/30/46/173133046.db2.gz PPJOURGSIRUZTE-TZMCWYRMSA-N 1 0 246.354 1.918 20 10 BDCDRO CN1CC[C@H]2CC[N@H+](Cc3ccccc3O)[C@H]2C1 ZINC000272698312 173159504 /nfs/dbraw/zinc/15/95/04/173159504.db2.gz YGCJJBYKJFOWPC-JSGCOSHPSA-N 1 0 246.354 1.918 20 10 BDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H](C)c1ccccc1O ZINC000290214427 174901242 /nfs/dbraw/zinc/90/12/42/174901242.db2.gz QFSQDXWWDBEWHG-GAFUQQFSSA-N 1 0 237.299 1.457 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CCCOC2)c(O)c1 ZINC000103964512 175110351 /nfs/dbraw/zinc/11/03/51/175110351.db2.gz MFCOUBNVBWPNBV-LLVKDONJSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H](O)C2CC2)c1 ZINC000071300243 175159467 /nfs/dbraw/zinc/15/94/67/175159467.db2.gz JJYLVQHACNFNEI-ZDUSSCGKSA-N 1 0 237.299 1.261 20 10 BDCDRO COc1cccc(C[N@H+](C)CCCCO)c1O ZINC000276617971 175254764 /nfs/dbraw/zinc/25/47/64/175254764.db2.gz HPJBIEFQUONOFI-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO COc1cccc(C[NH2+][C@@H](C)CCCO)c1O ZINC000094942276 175265588 /nfs/dbraw/zinc/26/55/88/175265588.db2.gz FYYHIWWCFFITPV-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2CCO[C@@H]2C)c1O ZINC000134247271 175267507 /nfs/dbraw/zinc/26/75/07/175267507.db2.gz AAENLCDLRXBGHD-KOLCDFICSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1CO ZINC000191187227 176175989 /nfs/dbraw/zinc/17/59/89/176175989.db2.gz SJHXNKMPUKVEMC-IUODEOHRSA-N 1 0 248.370 1.955 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)[C@@H]1CO ZINC000191187239 177164246 /nfs/dbraw/zinc/16/42/46/177164246.db2.gz SJHXNKMPUKVEMC-SWLSCSKDSA-N 1 0 248.370 1.955 20 10 BDCDRO Cc1cccc(C[NH2+]CC2COC2)c1O ZINC000529673271 324376089 /nfs/dbraw/zinc/37/60/89/324376089.db2.gz IVCCSYFGBDDSBO-UHFFFAOYSA-N 1 0 207.273 1.437 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1ccc(N(C)C)cc1C ZINC000853250013 588729406 /nfs/dbraw/zinc/72/94/06/588729406.db2.gz YBBCVULVJLRZLH-LBPRGKRZSA-N 1 0 235.375 1.759 20 10 BDCDRO C[C@H](C[NH3+])NC(=O)N[C@@H](C)c1ccccc1O ZINC000892062816 582780455 /nfs/dbraw/zinc/78/04/55/582780455.db2.gz VSRCXCPRGJAOOB-BDAKNGLRSA-N 1 0 237.303 1.100 20 10 BDCDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1Cc1ccccc1O ZINC000840979161 583214888 /nfs/dbraw/zinc/21/48/88/583214888.db2.gz RXQNGRDCNFIACW-DGCLKSJQSA-N 1 0 235.327 1.985 20 10 BDCDRO COc1ccc(C[NH+]2CC(C)C2)c(O)c1OC ZINC000894157326 583320868 /nfs/dbraw/zinc/32/08/68/583320868.db2.gz BUOZXRUFKXNXAW-UHFFFAOYSA-N 1 0 237.299 1.861 20 10 BDCDRO COC(=O)C1CC([NH2+]Cc2cc(C)ccc2O)C1 ZINC000877721266 583345049 /nfs/dbraw/zinc/34/50/49/583345049.db2.gz LKGXNIVJHNYBAR-UHFFFAOYSA-N 1 0 249.310 1.742 20 10 BDCDRO COc1cc(C)cc(C[NH2+]C[C@H](C)O)c1O ZINC000894359466 583436534 /nfs/dbraw/zinc/43/65/34/583436534.db2.gz PNZGJBMQKBSBHZ-VIFPVBQESA-N 1 0 225.288 1.180 20 10 BDCDRO COc1cccc(C[NH2+]Cc2ocnc2C)c1O ZINC000894764204 583518157 /nfs/dbraw/zinc/51/81/57/583518157.db2.gz DMGTVUYTHLKHFR-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894871358 583539583 /nfs/dbraw/zinc/53/95/83/583539583.db2.gz BRQHZMJSKJXAQZ-SNVBAGLBSA-N 1 0 243.690 1.508 20 10 BDCDRO COc1cc(C)cc(C[NH2+]Cc2cnn[nH]2)c1O ZINC000895381061 583662334 /nfs/dbraw/zinc/66/23/34/583662334.db2.gz XJTFFSJFSBVADU-UHFFFAOYSA-N 1 0 248.286 1.117 20 10 BDCDRO COC(OC)[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000895791135 583728441 /nfs/dbraw/zinc/72/84/41/583728441.db2.gz ZPXCEZVEDWGFFC-JTQLQIEISA-N 1 0 239.315 1.798 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000897357642 583936884 /nfs/dbraw/zinc/93/68/84/583936884.db2.gz MVLNDKLCDFILMR-UMSPYCQHSA-N 1 0 221.300 1.561 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897678368 584036176 /nfs/dbraw/zinc/03/61/76/584036176.db2.gz ASNUPLVHCVFXPY-GWCFXTLKSA-N 1 0 221.300 1.513 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC000897681624 584039181 /nfs/dbraw/zinc/03/91/81/584039181.db2.gz XSTYFWGMVUACMM-JQWIXIFHSA-N 1 0 221.300 1.513 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2c(O)cccc2Cl)C[C@H]1O ZINC000897684876 584040031 /nfs/dbraw/zinc/04/00/31/584040031.db2.gz YHTRMTLNWXJSSK-PRHODGIISA-N 1 0 241.718 1.858 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000897684682 584040574 /nfs/dbraw/zinc/04/05/74/584040574.db2.gz VDMZRTZDZTXBSP-BXKDBHETSA-N 1 0 237.299 1.213 20 10 BDCDRO C[C@H]1C[N@H+](Cc2cc(Cl)ccc2O)C[C@H]1O ZINC000897684643 584040705 /nfs/dbraw/zinc/04/07/05/584040705.db2.gz UKYCONJMBNVKLS-QPUJVOFHSA-N 1 0 241.718 1.858 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)c1ccc(F)cc1[O-] ZINC000873253028 584128341 /nfs/dbraw/zinc/12/83/41/584128341.db2.gz XVIWMGVYNDIWFG-KKZNHRDASA-N 1 0 238.306 1.919 20 10 BDCDRO Oc1cccc2c1[C@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902464258 584613340 /nfs/dbraw/zinc/61/33/40/584613340.db2.gz BDSZAGCCZUPYDC-YVECIDJPSA-N 1 0 244.338 1.862 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)c1ccc(F)cc1[O-] ZINC000902485237 584624640 /nfs/dbraw/zinc/62/46/40/584624640.db2.gz JSMCLYUZIVAPNM-FXPVBKGRSA-N 1 0 238.306 1.919 20 10 BDCDRO OC[C@@H]1CC[N@@H+]1Cc1cc2c(cc1O)CCCC2 ZINC000902630399 584647152 /nfs/dbraw/zinc/64/71/52/584647152.db2.gz AUARUIYIWYVZFK-AWEZNQCLSA-N 1 0 247.338 1.838 20 10 BDCDRO C[C@@H]([NH2+]Cc1cccc(F)c1[O-])[C@H](C)[NH3+] ZINC000841076130 584742423 /nfs/dbraw/zinc/74/24/23/584742423.db2.gz ASDWYSWNJYHMOZ-JGVFFNPUSA-N 1 0 212.268 1.357 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc2c(c1)CCO2 ZINC000903960389 584828517 /nfs/dbraw/zinc/82/85/17/584828517.db2.gz IEBGDKUGAXASEI-ZWNOBZJWSA-N 1 0 232.327 1.319 20 10 BDCDRO Nc1ccc(NC2CCN(CC[NH3+])CC2)cc1 ZINC000904353640 584870512 /nfs/dbraw/zinc/87/05/12/584870512.db2.gz POPCCNZRHSKDRZ-UHFFFAOYSA-N 1 0 234.347 1.104 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2CNOC2)cc1C ZINC000904426760 584881443 /nfs/dbraw/zinc/88/14/43/584881443.db2.gz HQUCCIZCJWSDNU-NSHDSACASA-N 1 0 222.288 1.002 20 10 BDCDRO C[C@H]([NH2+][C@H](CN)C1CC1)c1cc(F)ccc1O ZINC000817959296 584992374 /nfs/dbraw/zinc/99/23/74/584992374.db2.gz FJIHXJJFTGQVFB-QPUJVOFHSA-N 1 0 238.306 1.919 20 10 BDCDRO CCNC(=O)C1C[NH+](Cc2cc(C)ccc2O)C1 ZINC000839137571 585094384 /nfs/dbraw/zinc/09/43/84/585094384.db2.gz CIHJOQPRGRVSJI-UHFFFAOYSA-N 1 0 248.326 1.269 20 10 BDCDRO CC(=O)NCC[N@@H+](C)Cc1ccc(N(C)C)cc1 ZINC000741447870 585114135 /nfs/dbraw/zinc/11/41/35/585114135.db2.gz QXQFWYQBIRUOKC-UHFFFAOYSA-N 1 0 249.358 1.321 20 10 BDCDRO C[C@@H](C(=O)N(C)Cc1ccccc1O)[NH+](C)C ZINC000750017282 585209613 /nfs/dbraw/zinc/20/96/13/585209613.db2.gz SBIAMATWGOAYSD-JTQLQIEISA-N 1 0 236.315 1.301 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)C2CC(O)C2)cc1 ZINC000761223406 585412423 /nfs/dbraw/zinc/41/24/23/585412423.db2.gz QMDXPUDAYCWDDV-UHFFFAOYSA-N 1 0 234.343 1.708 20 10 BDCDRO COc1cccc(O)c1C[N@H+](CCO)C1CC1 ZINC000768330170 585535867 /nfs/dbraw/zinc/53/58/67/585535867.db2.gz OHRLWNBOVDQZSU-UHFFFAOYSA-N 1 0 237.299 1.358 20 10 BDCDRO CCN(C)c1ccc(C[N@H+](CC)CC(N)=O)cc1 ZINC000773887215 585646034 /nfs/dbraw/zinc/64/60/34/585646034.db2.gz DNZIXCAAQOYENH-UHFFFAOYSA-N 1 0 249.358 1.450 20 10 BDCDRO O=CN1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000774162597 585652474 /nfs/dbraw/zinc/65/24/74/585652474.db2.gz QEZUKANTYLTNTB-UHFFFAOYSA-N 1 0 234.299 1.103 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CCN(C)C2)cc1C ZINC000776175029 585691581 /nfs/dbraw/zinc/69/15/81/585691581.db2.gz VWYWJPRRHCUJIA-CYBMUJFWSA-N 1 0 234.343 1.803 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(N(C)C)cc1 ZINC000788268491 585920113 /nfs/dbraw/zinc/92/01/13/585920113.db2.gz DLEGAVLLHHKIBJ-RISCZKNCSA-N 1 0 234.343 1.708 20 10 BDCDRO Cc1cccc(C[NH2+]C2(CC(N)=O)CCC2)c1O ZINC000789554480 585943998 /nfs/dbraw/zinc/94/39/98/585943998.db2.gz QXQCAXWYBPIUJI-UHFFFAOYSA-N 1 0 248.326 1.588 20 10 BDCDRO CC1C[NH+](Cc2cc3c(cc2O)OCO3)C1 ZINC000802651651 586307909 /nfs/dbraw/zinc/30/79/09/586307909.db2.gz VHMGHEKXUBUPJS-UHFFFAOYSA-N 1 0 221.256 1.573 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@](F)(CO)C2)c1O ZINC000802661478 586308490 /nfs/dbraw/zinc/30/84/90/586308490.db2.gz QMOUUZNNMQBOKO-ZDUSSCGKSA-N 1 0 239.290 1.607 20 10 BDCDRO C[C@H]([NH2+]CCN1CCNC1=O)c1ccccc1O ZINC000808744283 586486733 /nfs/dbraw/zinc/48/67/33/586486733.db2.gz XTFNMHOKNMPYDE-JTQLQIEISA-N 1 0 249.314 1.068 20 10 BDCDRO Cc1c[nH+]ccc1NCCc1ccc(O)c(O)c1 ZINC000811811402 586567336 /nfs/dbraw/zinc/56/73/36/586567336.db2.gz SKMHCZSSRHLTJZ-UHFFFAOYSA-N 1 0 244.294 1.878 20 10 BDCDRO Cc1ccc([C@@H](C)N[C@H]2CC[NH2+]C2)c(O)c1 ZINC000817944585 586846325 /nfs/dbraw/zinc/84/63/25/586846325.db2.gz HGRSXBNSDIXAFX-MNOVXSKESA-N 1 0 220.316 1.713 20 10 BDCDRO CC[NH2+]CCN[C@H](C)c1ccc(C)cc1O ZINC000817951985 586848322 /nfs/dbraw/zinc/84/83/22/586848322.db2.gz MMTDSDPECMJLBH-LLVKDONJSA-N 1 0 222.332 1.961 20 10 BDCDRO C[C@H]1C[C@@H](NC2C[NH2+]C2)c2c1c(F)ccc2O ZINC000817955441 586850166 /nfs/dbraw/zinc/85/01/66/586850166.db2.gz AVZBVQWXOLELBU-OIBJUYFYSA-N 1 0 236.290 1.641 20 10 BDCDRO C[C@@H]1CCNC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817969218 586856461 /nfs/dbraw/zinc/85/64/61/586856461.db2.gz SDFDXCQHKTUGKH-RTXFEEFZSA-N 1 0 246.354 1.967 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817977116 586860206 /nfs/dbraw/zinc/86/02/06/586860206.db2.gz BQNXHWPDZLZDLP-CIUDSAMLSA-N 1 0 226.295 1.918 20 10 BDCDRO CC(C)[C@@H](C(=O)Nc1ccc(N)cc1)[C@H](C)[NH3+] ZINC000818556218 586900272 /nfs/dbraw/zinc/90/02/72/586900272.db2.gz BLRQSZJEEZVFFG-JOYOIKCWSA-N 1 0 235.331 1.827 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000827293012 587375876 /nfs/dbraw/zinc/37/58/76/587375876.db2.gz VQNHXTJDPAOTHI-WCQYABFASA-N 1 0 219.284 1.349 20 10 BDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000827500834 587384374 /nfs/dbraw/zinc/38/43/74/587384374.db2.gz LKGXNIVJHNYBAR-KLPPZKSPSA-N 1 0 249.310 1.742 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1ccccc1O ZINC000827936828 587410997 /nfs/dbraw/zinc/41/09/97/587410997.db2.gz DARVTNUONIKZOJ-ZYHUDNBSSA-N 1 0 248.326 1.664 20 10 BDCDRO CC(C)(C)[NH2+]CCNC(=O)Cc1ccc(N)cc1 ZINC000830171961 587540316 /nfs/dbraw/zinc/54/03/16/587540316.db2.gz WQCHGDPEXUFZIG-UHFFFAOYSA-N 1 0 249.358 1.316 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244145 587652323 /nfs/dbraw/zinc/65/23/23/587652323.db2.gz LWHABRWHCIXCKS-KWQFWETISA-N 1 0 219.288 1.205 20 10 BDCDRO C[C@@H]1CN(C(=O)Cc2ccc(N)cc2)CC[C@@H]1[NH3+] ZINC000832736871 587681419 /nfs/dbraw/zinc/68/14/19/587681419.db2.gz FIQGNKIABHFZIO-MFKMUULPSA-N 1 0 247.342 1.007 20 10 BDCDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)Cc1ccc(N)cc1 ZINC000834361292 587752977 /nfs/dbraw/zinc/75/29/77/587752977.db2.gz HLSQBNXQQPUVST-CMPLNLGQSA-N 1 0 247.342 1.007 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CCc2cccc(O)c21 ZINC000840826806 587923789 /nfs/dbraw/zinc/92/37/89/587923789.db2.gz WEQDVSWZTPHSTD-GMXVVIOVSA-N 1 0 249.310 1.383 20 10 BDCDRO Cc1cc(O)c(C[NH2+]C[C@@H](C)O)c(Cl)c1 ZINC000840871623 587926371 /nfs/dbraw/zinc/92/63/71/587926371.db2.gz DOSZUQGEKSJNFE-MRVPVSSYSA-N 1 0 229.707 1.824 20 10 BDCDRO Oc1c(F)cccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841026543 587935319 /nfs/dbraw/zinc/93/53/19/587935319.db2.gz HPYHORIUJWTFFC-SKDRFNHKSA-N 1 0 236.290 1.325 20 10 BDCDRO C[C@H]1OCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000841033806 587937012 /nfs/dbraw/zinc/93/70/12/587937012.db2.gz BJOZTJLHIXCFEN-MFKMUULPSA-N 1 0 220.316 1.578 20 10 BDCDRO CC(C)C[C@@H](CN)[NH2+]Cc1ccccc1O ZINC000841037603 587937577 /nfs/dbraw/zinc/93/75/77/587937577.db2.gz BBKKJXNLUBQRAL-LBPRGKRZSA-N 1 0 222.332 1.855 20 10 BDCDRO c1cc(N2CCCC2)ccc1CN[C@@H]1CC[NH2+]C1 ZINC000841045514 587939255 /nfs/dbraw/zinc/93/92/55/587939255.db2.gz XOALYSPSIXPVJU-CQSZACIVSA-N 1 0 245.370 1.738 20 10 BDCDRO CCC[NH2+]CCNCc1cc(C)ccc1O ZINC000841047058 587939460 /nfs/dbraw/zinc/93/94/60/587939460.db2.gz TZJUAQICNZHTLI-UHFFFAOYSA-N 1 0 222.332 1.790 20 10 BDCDRO COc1ccc(CNCC2([NH3+])CCC2)cc1C ZINC000841050874 587939687 /nfs/dbraw/zinc/93/96/87/587939687.db2.gz JIIZOSQUCZJNPU-UHFFFAOYSA-N 1 0 234.343 1.975 20 10 BDCDRO C[C@H](CN)[NH2+]Cc1cc(Cl)cc(F)c1[O-] ZINC000841059613 587940397 /nfs/dbraw/zinc/94/03/97/587940397.db2.gz IGXYQTMGCDUSSK-ZCFIWIBFSA-N 1 0 232.686 1.622 20 10 BDCDRO C[C@@H](C[NH3+])NCc1ccc(N(C)C)c(F)c1 ZINC000841064142 587942227 /nfs/dbraw/zinc/94/22/27/587942227.db2.gz UJBGNCBHADCKJF-VIFPVBQESA-N 1 0 225.311 1.329 20 10 BDCDRO CC[C@H]([NH3+])C[NH2+]Cc1cc(C)c(C)cc1O ZINC000841073577 587943955 /nfs/dbraw/zinc/94/39/55/587943955.db2.gz ZZFNVUUHVMCYRV-LBPRGKRZSA-N 1 0 222.332 1.836 20 10 BDCDRO Oc1ccccc1CN[C@H]1C[NH2+]CCC1(F)F ZINC000841075764 587944022 /nfs/dbraw/zinc/94/40/22/587944022.db2.gz WDHLGJQTRYSDGP-NSHDSACASA-N 1 0 242.269 1.479 20 10 BDCDRO CC[C@@H]([NH3+])C[NH2+]Cc1cc(C)c(C)cc1O ZINC000841073576 587944408 /nfs/dbraw/zinc/94/44/08/587944408.db2.gz ZZFNVUUHVMCYRV-GFCCVEGCSA-N 1 0 222.332 1.836 20 10 BDCDRO CN(C)c1ccc(CN[C@H]2CCCC[NH2+]C2)cc1 ZINC000841088608 587945588 /nfs/dbraw/zinc/94/55/88/587945588.db2.gz AZVBDNYLVNLPSO-AWEZNQCLSA-N 1 0 247.386 1.984 20 10 BDCDRO C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000841846483 587977136 /nfs/dbraw/zinc/97/71/36/587977136.db2.gz OYXOIHZAAPBHGV-JOYOIKCWSA-N 1 0 233.315 1.595 20 10 BDCDRO COc1cccc(O)c1CN(C)[C@H](C)C[NH3+] ZINC000843052292 588077123 /nfs/dbraw/zinc/07/71/23/588077123.db2.gz SHOOHMOFDFWMAL-SECBINFHSA-N 1 0 224.304 1.180 20 10 BDCDRO CCOc1ccc(CN(C)[C@@H](C)C[NH3+])c(O)c1 ZINC000843051473 588077155 /nfs/dbraw/zinc/07/71/55/588077155.db2.gz JCJWSNPWPBXJRQ-JTQLQIEISA-N 1 0 238.331 1.570 20 10 BDCDRO C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cccc(F)c1[O-] ZINC000843058045 588077630 /nfs/dbraw/zinc/07/76/30/588077630.db2.gz NZRRFYRTVYDVOW-NXEZZACHSA-N 1 0 238.306 1.700 20 10 BDCDRO C[N@H+](Cc1cccc(F)c1[O-])CC(C)(C)C[NH3+] ZINC000843056441 588077746 /nfs/dbraw/zinc/07/77/46/588077746.db2.gz KAUDENMQMOCDFL-UHFFFAOYSA-N 1 0 240.322 1.948 20 10 BDCDRO C[NH2+]C[C@H]1CCCN1Cc1cccc(C)c1O ZINC000843055206 588078023 /nfs/dbraw/zinc/07/80/23/588078023.db2.gz GTINOONIZKBDSM-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO C[N@H+](Cc1cccc(Cl)c1[O-])C1CC([NH3+])C1 ZINC000843125041 588083466 /nfs/dbraw/zinc/08/34/66/588083466.db2.gz LZTUAFLRJYTBKH-UHFFFAOYSA-N 1 0 240.734 1.967 20 10 BDCDRO C[C@@]1(F)C[NH2+]CCN(Cc2ccccc2O)C1 ZINC000843124402 588083833 /nfs/dbraw/zinc/08/38/33/588083833.db2.gz AEWFUQDWQFXORV-CYBMUJFWSA-N 1 0 238.306 1.526 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H](NCCc2ccc(N)cc2)C1 ZINC000843127148 588085282 /nfs/dbraw/zinc/08/52/82/588085282.db2.gz ZRQPHGCBKYBMQS-SMDDNHRTSA-N 1 0 233.359 1.399 20 10 BDCDRO C[C@](C[NH3+])(NC(=O)Cc1ccc(N)cc1)C1CC1 ZINC000843343948 588101314 /nfs/dbraw/zinc/10/13/14/588101314.db2.gz DOOGRSUJZALLQE-CQSZACIVSA-N 1 0 247.342 1.055 20 10 BDCDRO Cc1cc(O)c(C[NH+]2CC(C)(C(N)=O)C2)cc1C ZINC000843415097 588106968 /nfs/dbraw/zinc/10/69/68/588106968.db2.gz CGELFQVWTKGVKL-UHFFFAOYSA-N 1 0 248.326 1.316 20 10 BDCDRO CCN(CC)c1ccc(CN(C)C(=O)C[NH3+])cc1 ZINC000844167191 588171459 /nfs/dbraw/zinc/17/14/59/588171459.db2.gz UXBISSJPEALFGS-UHFFFAOYSA-N 1 0 249.358 1.450 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)CCF)c1 ZINC000846101190 588256518 /nfs/dbraw/zinc/25/65/18/588256518.db2.gz RAJOMMPDFMHSCT-JTQLQIEISA-N 1 0 243.278 1.211 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cccc(OC)c1O ZINC000846135204 588258506 /nfs/dbraw/zinc/25/85/06/588258506.db2.gz CBSCDJISGIIBOI-UWVGGRQHSA-N 1 0 239.315 1.822 20 10 BDCDRO C[C@@H]([NH2+][C@@H](CO)CCF)c1cc(F)ccc1O ZINC000846208309 588260066 /nfs/dbraw/zinc/26/00/66/588260066.db2.gz IGFCZLBSEFVSLV-PSASIEDQSA-N 1 0 245.269 1.902 20 10 BDCDRO CCc1cccc(C[NH+]2CCC(O)CC2)c1O ZINC000848879805 588416108 /nfs/dbraw/zinc/41/61/08/588416108.db2.gz CXDRNVJOSUAJFZ-UHFFFAOYSA-N 1 0 235.327 1.911 20 10 BDCDRO CCc1cccc(C[N@H+](C)[C@@H]2CCNC2=O)c1O ZINC000848890002 588417645 /nfs/dbraw/zinc/41/76/45/588417645.db2.gz ONULVZXVBWYJPD-GFCCVEGCSA-N 1 0 248.326 1.275 20 10 BDCDRO CCc1cccc(C[N@H+](C)[C@H]2CCNC2=O)c1O ZINC000848890004 588417660 /nfs/dbraw/zinc/41/76/60/588417660.db2.gz ONULVZXVBWYJPD-LBPRGKRZSA-N 1 0 248.326 1.275 20 10 BDCDRO COc1ccc(CNC(=[NH2+])NC(C)C)c(O)c1 ZINC000849024821 588439896 /nfs/dbraw/zinc/43/98/96/588439896.db2.gz BFIOYJVDHPDODV-UHFFFAOYSA-N 1 0 237.303 1.423 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CCNC2=O)c(O)c1C ZINC000850481856 588551403 /nfs/dbraw/zinc/55/14/03/588551403.db2.gz NROCVAUNVMGIEM-JQWIXIFHSA-N 1 0 248.326 1.548 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2C[C@H](O)C2)c(O)c1 ZINC000850577891 588560955 /nfs/dbraw/zinc/56/09/55/588560955.db2.gz DYLBHEQSEROZOG-GMTAPVOTSA-N 1 0 221.300 1.875 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1 ZINC000850579200 588561777 /nfs/dbraw/zinc/56/17/77/588561777.db2.gz SSBAMZHCRLBOTD-GUBZILKMSA-N 1 0 237.299 1.575 20 10 BDCDRO C[C@@H]1[NH2+]CC[C@H]1NCc1c(O)cccc1Cl ZINC000863487913 589293844 /nfs/dbraw/zinc/29/38/44/589293844.db2.gz YKGSFRXRVZPIBO-GZMMTYOYSA-N 1 0 240.734 1.886 20 10 BDCDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccccc1O ZINC000864454069 589366065 /nfs/dbraw/zinc/36/60/65/589366065.db2.gz STLFRFMULZNUIT-WCBMZHEXSA-N 1 0 219.288 1.415 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C2(CO)CC2)cc1 ZINC000120396321 589409528 /nfs/dbraw/zinc/40/95/28/589409528.db2.gz DBJOAKYVAJFZKG-UHFFFAOYSA-N 1 0 220.316 1.367 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870932269 589697823 /nfs/dbraw/zinc/69/78/23/589697823.db2.gz BLXWYQIJQQBAKB-MGCOHNPYSA-N 1 0 233.315 1.725 20 10 BDCDRO C[NH2+]CCC(=O)N[C@@H](C)c1ccccc1O ZINC000870988461 589706911 /nfs/dbraw/zinc/70/69/11/589706911.db2.gz PWIFMXMFINUPJU-VIFPVBQESA-N 1 0 222.288 1.179 20 10 BDCDRO C[C@@H](NC(=O)CCC[NH3+])c1ccccc1O ZINC000870988685 589706928 /nfs/dbraw/zinc/70/69/28/589706928.db2.gz XAQRCQKSQXCKRE-SECBINFHSA-N 1 0 222.288 1.308 20 10 BDCDRO CC(C)[NH2+]CC(=O)N[C@@H](C)c1ccccc1O ZINC000870988681 589707010 /nfs/dbraw/zinc/70/70/10/589707010.db2.gz XAADAUNNRPCACB-JTQLQIEISA-N 1 0 236.315 1.567 20 10 BDCDRO C[C@@H](NC(=O)C[NH2+]CC1CC1)c1ccccc1O ZINC000870988260 589707195 /nfs/dbraw/zinc/70/71/95/589707195.db2.gz LALLYPXRRAODRE-SNVBAGLBSA-N 1 0 248.326 1.569 20 10 BDCDRO C[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988579 589707317 /nfs/dbraw/zinc/70/73/17/589707317.db2.gz TZVQAIOUADXMDP-IUCAKERBSA-N 1 0 222.288 1.177 20 10 BDCDRO CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)c1ccc(N)cc1 ZINC000872307956 589908942 /nfs/dbraw/zinc/90/89/42/589908942.db2.gz PZPDYHRYEYFLMR-PUYPPJJSSA-N 1 0 245.326 1.359 20 10 BDCDRO COc1ccc(C[NH2+]CC[S@@](C)=O)cc1C ZINC000124198624 589959798 /nfs/dbraw/zinc/95/97/98/589959798.db2.gz VYGVACHEHFUIOT-INIZCTEOSA-N 1 0 241.356 1.472 20 10 BDCDRO Oc1ccccc1CN[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873229690 590002362 /nfs/dbraw/zinc/00/23/62/590002362.db2.gz DVJZGEWFALIQDO-KBPBESRZSA-N 1 0 232.327 1.766 20 10 BDCDRO CCN(C[C@H](C)[NH3+])c1ccc(OC)c(OC)c1 ZINC000020239640 590090846 /nfs/dbraw/zinc/09/08/46/590090846.db2.gz MECWGCBKYYFRTL-JTQLQIEISA-N 1 0 238.331 1.877 20 10 BDCDRO Nc1ccc(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876504772 590203999 /nfs/dbraw/zinc/20/39/99/590203999.db2.gz WFNLQIGVOREDEZ-UVYAAXSVSA-N 1 0 245.326 1.763 20 10 BDCDRO CC[N@H+](CCO)Cc1ccc(C)cc1O ZINC000876527299 590208948 /nfs/dbraw/zinc/20/89/48/590208948.db2.gz YZZHFNNFXMKANG-UHFFFAOYSA-N 1 0 209.289 1.515 20 10 BDCDRO Cc1ccc(CN2CC[N@@H+]3CCC[C@H]3C2)c(O)c1 ZINC000876713629 590232757 /nfs/dbraw/zinc/23/27/57/590232757.db2.gz LWFNSLHWXQBLGS-AWEZNQCLSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1cccc(O)c1CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876714005 590232802 /nfs/dbraw/zinc/23/28/02/590232802.db2.gz SAGWKUJXWZEMMU-CYBMUJFWSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCN2C)c(O)c1 ZINC000876985973 590265093 /nfs/dbraw/zinc/26/50/93/590265093.db2.gz YQBWDULKGWELKX-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCN1C ZINC000876985692 590265121 /nfs/dbraw/zinc/26/51/21/590265121.db2.gz MSIRUNSCHBAPHN-GFCCVEGCSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000876994117 590266178 /nfs/dbraw/zinc/26/61/78/590266178.db2.gz DFNVDOWTGBIHBE-NSHDSACASA-N 1 0 234.299 1.021 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877076930 590278660 /nfs/dbraw/zinc/27/86/60/590278660.db2.gz XHOHEXKVNJZYNP-STQMWFEESA-N 1 0 247.342 1.620 20 10 BDCDRO CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccc(N)cc1 ZINC000877077683 590279083 /nfs/dbraw/zinc/27/90/83/590279083.db2.gz QVYSMSKSXUFYON-JSGCOSHPSA-N 1 0 245.326 1.231 20 10 BDCDRO CC(C)C[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877078704 590279274 /nfs/dbraw/zinc/27/92/74/590279274.db2.gz ACYQFMHMKFKZNP-LBPRGKRZSA-N 1 0 235.331 1.605 20 10 BDCDRO CN(C(=O)CCC(C)(C)[NH3+])c1ccc(N)cc1 ZINC000877078986 590279418 /nfs/dbraw/zinc/27/94/18/590279418.db2.gz MNRXKGFXCAHFHG-UHFFFAOYSA-N 1 0 235.331 1.749 20 10 BDCDRO Cc1ccc(C[NH2+]CC2(C)OCCO2)c(O)c1 ZINC000877118241 590288526 /nfs/dbraw/zinc/28/85/26/590288526.db2.gz SMJGNQPSAHRIBB-UHFFFAOYSA-N 1 0 237.299 1.553 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[C@H](C)O ZINC000877195269 590299666 /nfs/dbraw/zinc/29/96/66/590299666.db2.gz FWVZDSPZDRFHBD-MNOVXSKESA-N 1 0 223.316 1.950 20 10 BDCDRO C[C@@H](NC(=O)CCC1C[NH2+]C1)c1ccccc1O ZINC000877255628 590304190 /nfs/dbraw/zinc/30/41/90/590304190.db2.gz FXQPQYUJAAJJHQ-SNVBAGLBSA-N 1 0 248.326 1.569 20 10 BDCDRO C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1ccccc1O ZINC000877256475 590304262 /nfs/dbraw/zinc/30/42/62/590304262.db2.gz XAKQJTIXDZJIMU-GUBZILKMSA-N 1 0 234.299 1.307 20 10 BDCDRO Cc1ccc(C[NH2+]CC2(CO)CCC2)c(O)c1 ZINC000877315160 590312795 /nfs/dbraw/zinc/31/27/95/590312795.db2.gz AEVZSFWFQXFQAA-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000877433984 590326836 /nfs/dbraw/zinc/32/68/36/590326836.db2.gz LCLVUBDQFLSKHU-DGCLKSJQSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c(O)c1 ZINC000877499636 590341233 /nfs/dbraw/zinc/34/12/33/590341233.db2.gz RNAYJPSLONIVJV-MFKMUULPSA-N 1 0 248.326 1.315 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@@H](C)CO)c(O)c1 ZINC000877525822 590347558 /nfs/dbraw/zinc/34/75/58/590347558.db2.gz COZVQYJSKMLKPW-JTQLQIEISA-N 1 0 209.289 1.513 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H](O)C2CC2)c(O)c1 ZINC000877526130 590347956 /nfs/dbraw/zinc/34/79/56/590347956.db2.gz PWPFLBAMHKOIHU-CYBMUJFWSA-N 1 0 221.300 1.561 20 10 BDCDRO Cc1ccc(C[NH2+]C2COCCOC2)c(O)c1 ZINC000877545902 590353526 /nfs/dbraw/zinc/35/35/26/590353526.db2.gz FJHKAEHBTKPWQP-UHFFFAOYSA-N 1 0 237.299 1.206 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877571824 590362833 /nfs/dbraw/zinc/36/28/33/590362833.db2.gz AHFKZLWNOYWQKK-SNVBAGLBSA-N 1 0 236.315 1.315 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)C(=O)NC ZINC000877575810 590363838 /nfs/dbraw/zinc/36/38/38/590363838.db2.gz FFHVEPUOXSMVCN-NSHDSACASA-N 1 0 236.315 1.315 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(C)cc1O ZINC000877586960 590367619 /nfs/dbraw/zinc/36/76/19/590367619.db2.gz ZQTFFZOGPHGKHF-WCQYABFASA-N 1 0 237.299 1.204 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](CO)CCF ZINC000877614628 590373689 /nfs/dbraw/zinc/37/36/89/590373689.db2.gz KCMKEEZAAMXFPB-JTQLQIEISA-N 1 0 227.279 1.511 20 10 BDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877634756 590379910 /nfs/dbraw/zinc/37/99/10/590379910.db2.gz VPOOJKYHODNENB-PHIMTYICSA-N 1 0 249.310 1.742 20 10 BDCDRO Cc1ccc(C[NH2+]CC[C@H](O)C(F)F)c(O)c1 ZINC000877676783 590390579 /nfs/dbraw/zinc/39/05/79/590390579.db2.gz GFTLMKVEJASKDW-JTQLQIEISA-N 1 0 245.269 1.806 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(C)=O)c1 ZINC000878361030 590554105 /nfs/dbraw/zinc/55/41/05/590554105.db2.gz VULOWFKIWQVAGT-VIFPVBQESA-N 1 0 223.272 1.640 20 10 BDCDRO C[C@H]([NH2+]CC[C@@H]1CCOC1=O)c1ccccc1O ZINC000879651319 590843524 /nfs/dbraw/zinc/84/35/24/590843524.db2.gz RCVVZUFPHCBRKU-WDEREUQCSA-N 1 0 249.310 1.996 20 10 BDCDRO C[C@@H]([NH3+])c1cn(Cc2ccc(N(C)C)cc2)nn1 ZINC000881270877 591177383 /nfs/dbraw/zinc/17/73/83/591177383.db2.gz CZBMCGCGYSTACA-SNVBAGLBSA-N 1 0 245.330 1.412 20 10 BDCDRO CC(C)[NH2+]CCC(=O)NCCc1ccc(N)cc1 ZINC000131837565 591668561 /nfs/dbraw/zinc/66/85/61/591668561.db2.gz YZYYAJRWEDUFNZ-UHFFFAOYSA-N 1 0 249.358 1.316 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000300050388 592501625 /nfs/dbraw/zinc/50/16/25/592501625.db2.gz ZKHSCGZQBRARRE-ZYHUDNBSSA-N 1 0 220.316 1.480 20 10 BDCDRO Cc1cc(O)c(C[NH+]2CCN(C)CC2)cc1C ZINC000125076860 634460663 /nfs/dbraw/zinc/46/06/63/634460663.db2.gz IEKLEOSKEXLWNI-UHFFFAOYSA-N 1 0 234.343 1.756 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CNOC2)c(O)c1C ZINC000925861516 635555671 /nfs/dbraw/zinc/55/56/71/635555671.db2.gz DCHJCSIXERGAJR-WDEREUQCSA-N 1 0 236.315 1.563 20 10 BDCDRO C[C@@H](CN(C)C)[NH2+]Cc1cc(F)ccc1O ZINC000235110856 635566517 /nfs/dbraw/zinc/56/65/17/635566517.db2.gz OMRCXKHIBIEEFU-VIFPVBQESA-N 1 0 226.295 1.571 20 10 BDCDRO Cc1cc(C)c([C@@H](C)[NH2+][C@H]2CNOC2)c(O)c1 ZINC000925866693 635569754 /nfs/dbraw/zinc/56/97/54/635569754.db2.gz OGYPTPXODZJPMT-MNOVXSKESA-N 1 0 236.315 1.563 20 10 BDCDRO CCOc1cccc(CN(C)C2C[NH2+]C2)c1O ZINC000090289557 631526489 /nfs/dbraw/zinc/52/64/89/631526489.db2.gz ZCODKSVWNRSJMK-UHFFFAOYSA-N 1 0 236.315 1.195 20 10 BDCDRO CN(Cc1ccccc1O)CC(C)(C)[NH3+] ZINC000309394707 632023520 /nfs/dbraw/zinc/02/35/20/632023520.db2.gz GIWMKTNRQQJAFH-UHFFFAOYSA-N 1 0 208.305 1.561 20 10 BDCDRO OC[C@H]([NH2+]Cc1ccccc1O)C1CC1 ZINC000308903672 632119173 /nfs/dbraw/zinc/11/91/73/632119173.db2.gz KMOLYIRVBCRSQN-NSHDSACASA-N 1 0 207.273 1.253 20 10 BDCDRO O=C(C[C@@H]1CCC[NH2+]C1)NCc1ccccc1O ZINC000228420367 632472242 /nfs/dbraw/zinc/47/22/42/632472242.db2.gz JNOUOJAFMKFIMF-NSHDSACASA-N 1 0 248.326 1.398 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCC2(C1)OCCO2 ZINC000179569105 632746509 /nfs/dbraw/zinc/74/65/09/632746509.db2.gz FXLLMKFSAJUXOS-UHFFFAOYSA-N 1 0 235.283 1.341 20 10 BDCDRO Cc1cccc(C[NH2+]CC2(CO)CC2)c1O ZINC000162869736 633041502 /nfs/dbraw/zinc/04/15/02/633041502.db2.gz IIJNXZVBQAICRX-UHFFFAOYSA-N 1 0 221.300 1.563 20 10 BDCDRO Nc1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000168803298 633149721 /nfs/dbraw/zinc/14/97/21/633149721.db2.gz XNTWVFQJNSOYNP-SNVBAGLBSA-N 1 0 233.315 1.597 20 10 BDCDRO C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(N)cc1 ZINC000168896376 633152218 /nfs/dbraw/zinc/15/22/18/633152218.db2.gz ANFDUXCUAOICFE-VIFPVBQESA-N 1 0 236.319 1.340 20 10 BDCDRO CSC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000309911881 633933144 /nfs/dbraw/zinc/93/31/44/633933144.db2.gz NDGZLHOAFJPIJB-UWVGGRQHSA-N 1 0 241.356 1.767 20 10 BDCDRO [NH3+][C@@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000259024258 635234329 /nfs/dbraw/zinc/23/43/29/635234329.db2.gz OGXBHZJNOYARLE-CHWSQXEVSA-N 1 0 232.327 1.591 20 10 BDCDRO COc1ccc(CN[C@H]2CC[NH2+]C2)cc1C ZINC000259155735 635246682 /nfs/dbraw/zinc/24/66/82/635246682.db2.gz VEPXOIYFAXVNAV-LBPRGKRZSA-N 1 0 220.316 1.455 20 10 BDCDRO CNC(=O)C[C@@H](C)[NH2+][C@H](C)c1ccccc1O ZINC000322758376 636878010 /nfs/dbraw/zinc/87/80/10/636878010.db2.gz FTQANWNWKHFYRF-NXEZZACHSA-N 1 0 236.315 1.567 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000322758377 636879177 /nfs/dbraw/zinc/87/91/77/636879177.db2.gz FTQANWNWKHFYRF-UWVGGRQHSA-N 1 0 236.315 1.567 20 10 BDCDRO C[C@H]([NH2+]CCCON)c1cc(F)ccc1O ZINC000902426119 637304560 /nfs/dbraw/zinc/30/45/60/637304560.db2.gz QRGDUQKRLVVONB-QMMMGPOBSA-N 1 0 228.267 1.462 20 10 BDCDRO [NH3+]C1(CNCc2cc(F)ccc2O)CC1 ZINC000904449573 637414175 /nfs/dbraw/zinc/41/41/75/637414175.db2.gz KTWRFPKSRGLWHK-UHFFFAOYSA-N 1 0 210.252 1.112 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCCON)c1 ZINC000904458394 637421025 /nfs/dbraw/zinc/42/10/25/637421025.db2.gz XGDOFWIGUDSYHD-UHFFFAOYSA-N 1 0 210.277 1.071 20 10 BDCDRO CCOc1cccc(C[NH2+]CCCON)c1O ZINC000904458422 637421178 /nfs/dbraw/zinc/42/11/78/637421178.db2.gz YLDQERLFMVSYMB-UHFFFAOYSA-N 1 0 240.303 1.161 20 10 BDCDRO [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000906518308 638188265 /nfs/dbraw/zinc/18/82/65/638188265.db2.gz VQMUPZAJESZTTH-KYZUINATSA-N 1 0 210.252 1.111 20 10 BDCDRO Nc1ccc(NC(=O)C23CCC(CC2)[NH2+]3)cc1 ZINC000911660966 639692141 /nfs/dbraw/zinc/69/21/41/639692141.db2.gz PYUBCOFANMBFEZ-UHFFFAOYSA-N 1 0 231.299 1.492 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2[C@@H]3CC[NH2+]C[C@@H]32)cc1 ZINC000911660964 639693488 /nfs/dbraw/zinc/69/34/88/639693488.db2.gz PXDCDRIVLIOPGI-WOPDTQHZSA-N 1 0 231.299 1.063 20 10 BDCDRO C[C@@H](O)C[C@H](C)[NH2+]Cc1ccccc1O ZINC000164460696 640484734 /nfs/dbraw/zinc/48/47/34/640484734.db2.gz HSAHIEWZJYYFIA-VHSXEESVSA-N 1 0 209.289 1.641 20 10 BDCDRO C[C@@H](CCCO)[NH2+]Cc1cc(F)ccc1O ZINC000226616736 640780142 /nfs/dbraw/zinc/78/01/42/640780142.db2.gz VZOKSGXQJOPGNQ-VIFPVBQESA-N 1 0 227.279 1.782 20 10 BDCDRO CC(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000228356043 640872515 /nfs/dbraw/zinc/87/25/15/640872515.db2.gz SMCRVUWEJIXKIS-ZDUSSCGKSA-N 1 0 248.326 1.411 20 10 BDCDRO COc1ccc(O)c(CN2CC[NH2+][C@@H](C)C2)c1 ZINC000088058611 641305705 /nfs/dbraw/zinc/30/57/05/641305705.db2.gz BGMDXLOXSRZUPK-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@H](C)C2)c1 ZINC000190068747 641833675 /nfs/dbraw/zinc/83/36/75/641833675.db2.gz DMQRZQCTPULYJG-DGCLKSJQSA-N 1 0 235.327 1.903 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000921474265 642634003 /nfs/dbraw/zinc/63/40/03/642634003.db2.gz RYXUFDODUCXBEL-CYBMUJFWSA-N 1 0 235.327 1.872 20 10 BDCDRO CC[C@@H](N[C@@H](C)c1ccccc1O)C(=O)OC ZINC000305450816 642660415 /nfs/dbraw/zinc/66/04/15/642660415.db2.gz LQAHRUFDDCFUKX-GXSJLCMTSA-N 1 0 237.299 1.994 20 10 BDCDRO CC[C@@H](N[C@H](C)c1ccccc1O)C(=O)OC ZINC000305450819 642661964 /nfs/dbraw/zinc/66/19/64/642661964.db2.gz LQAHRUFDDCFUKX-MWLCHTKSSA-N 1 0 237.299 1.994 20 10 BDCDRO CNC(=O)CC[N@H+](C)Cc1cccc(C)c1O ZINC000180030308 642765403 /nfs/dbraw/zinc/76/54/03/642765403.db2.gz ZMUIDPWAPHUSSQ-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000180197288 642777481 /nfs/dbraw/zinc/77/74/81/642777481.db2.gz WXFZNDAYUURPRP-ZDUSSCGKSA-N 1 0 221.300 1.657 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000070075013 642964539 /nfs/dbraw/zinc/96/45/39/642964539.db2.gz DSTUZCGLBSVYMD-CHWSQXEVSA-N 1 0 247.386 1.935 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2COCCO2)c1 ZINC000071408217 643143854 /nfs/dbraw/zinc/14/38/54/643143854.db2.gz SQLZITMIRKRLON-GFCCVEGCSA-N 1 0 237.299 1.206 20 10 BDCDRO C[NH+](C)CC(=O)NCc1cccc(Cl)c1O ZINC000890758144 643343980 /nfs/dbraw/zinc/34/39/80/643343980.db2.gz RSDYLBRUWZZPAS-UHFFFAOYSA-N 1 0 242.706 1.223 20 10 BDCDRO COc1ccc(N(C)CCC[NH3+])cc1F ZINC000082595214 643350714 /nfs/dbraw/zinc/35/07/14/643350714.db2.gz MAUBWJZYCRMOBW-UHFFFAOYSA-N 1 0 212.268 1.619 20 10 BDCDRO COC[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000083345898 643435556 /nfs/dbraw/zinc/43/55/56/643435556.db2.gz JFVPBQSRTLPTTJ-JTQLQIEISA-N 1 0 209.289 1.825 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CCSC)c1 ZINC000068994319 643436177 /nfs/dbraw/zinc/43/61/77/643436177.db2.gz NYMSGCQIUMAPAI-UHFFFAOYSA-N 1 0 227.329 1.853 20 10 BDCDRO COc1ccc(N(C)CCOCC[NH3+])cc1 ZINC000086435619 644132874 /nfs/dbraw/zinc/13/28/74/644132874.db2.gz IANDZTUSJPJWMI-UHFFFAOYSA-N 1 0 224.304 1.107 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1 ZINC000079928907 644220084 /nfs/dbraw/zinc/22/00/84/644220084.db2.gz MPIFLRPQLMRIMM-LBPRGKRZSA-N 1 0 247.342 1.121 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1O ZINC000079952421 644221571 /nfs/dbraw/zinc/22/15/71/644221571.db2.gz GTRHRSYDNRYRLU-ZJUUUORDSA-N 1 0 234.299 1.321 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000923006431 644226648 /nfs/dbraw/zinc/22/66/48/644226648.db2.gz CKTCTHUHIJKBLH-MGCOHNPYSA-N 1 0 237.299 1.261 20 10 BDCDRO COc1ccc(O)c([C@H](C)[NH2+]Cc2ncc[nH]2)c1 ZINC000080581902 644277344 /nfs/dbraw/zinc/27/73/44/644277344.db2.gz YTPLYKRLRTYERP-VIFPVBQESA-N 1 0 247.298 1.975 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)[C@H]1CO ZINC000249039819 644709597 /nfs/dbraw/zinc/70/95/97/644709597.db2.gz CYVDFJJFHIDGLN-SKDRFNHKSA-N 1 0 239.290 1.734 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)CC[C@H]1O ZINC000249958453 644745951 /nfs/dbraw/zinc/74/59/51/644745951.db2.gz JKRKDOHPOANPPD-CMPLNLGQSA-N 1 0 221.300 1.595 20 10 BDCDRO COc1ccc(C[NH2+][C@H](C)CCO)c(O)c1 ZINC000096811509 644840906 /nfs/dbraw/zinc/84/09/06/644840906.db2.gz SIADBJTUWVECCJ-SECBINFHSA-N 1 0 225.288 1.261 20 10 BDCDRO C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cccc(F)c1[O-] ZINC000843129581 645267743 /nfs/dbraw/zinc/26/77/43/645267743.db2.gz PXIDOIYLXMHSMR-RKDXNWHRSA-N 1 0 226.295 1.747 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CC12CC(O)C2 ZINC000724948575 711633667 /nfs/dbraw/zinc/63/36/67/711633667.db2.gz ZDIJRXXFESMSFQ-YXMLORGKSA-N 1 0 219.284 1.395 20 10 BDCDRO CC[C@H]([NH2+]Cc1cc(C)ccc1O)[C@H](C)O ZINC000386712227 711642612 /nfs/dbraw/zinc/64/26/12/711642612.db2.gz PSBIXMMZGFSQIF-JQWIXIFHSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cccc(C[NH2+]CCN2CCC2)c1O ZINC000309706108 711662750 /nfs/dbraw/zinc/66/27/50/711662750.db2.gz ONLWAGRZGPAOBS-UHFFFAOYSA-N 1 0 220.316 1.496 20 10 BDCDRO Cc1ccc(O)c(CN2CC[NH2+][C@@H](C)C2)c1 ZINC000083814061 711810126 /nfs/dbraw/zinc/81/01/26/711810126.db2.gz JFWZSKPYFWRNAJ-NSHDSACASA-N 1 0 220.316 1.494 20 10 BDCDRO C[C@@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1O ZINC000378718531 712357970 /nfs/dbraw/zinc/35/79/70/712357970.db2.gz DKSPLOJTIMDIEM-HLUHBDAQSA-N 1 0 207.273 1.566 20 10 BDCDRO Cc1cccc(C[NH2+]CCCn2cncn2)c1O ZINC000381751772 710702285 /nfs/dbraw/zinc/70/22/85/710702285.db2.gz DWMJBPUVFYHPLI-UHFFFAOYSA-N 1 0 246.314 1.472 20 10 BDCDRO Cc1cccc(C[NH2+]CCc2cnccn2)c1O ZINC000389948744 711099997 /nfs/dbraw/zinc/09/99/97/711099997.db2.gz NCLAFRJLGCZOTA-UHFFFAOYSA-N 1 0 243.310 1.823 20 10 BDCDRO CCN1C[C@H]([NH2+]Cc2cccc(C)c2O)CC1=O ZINC000391598508 711138721 /nfs/dbraw/zinc/13/87/21/711138721.db2.gz IQJJZXCBPKBRLQ-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Oc1ccccc1C[NH2+]CCN1CCC1 ZINC000389982858 711102403 /nfs/dbraw/zinc/10/24/03/711102403.db2.gz KECRFYFHFYUMMQ-UHFFFAOYSA-N 1 0 206.289 1.188 20 10 BDCDRO Cc1nnc([C@H](C)[NH2+]Cc2ccccc2O)[nH]1 ZINC000392461322 711148439 /nfs/dbraw/zinc/14/84/39/711148439.db2.gz LHVOWMZMUHWMSE-QMMMGPOBSA-N 1 0 232.287 1.670 20 10 BDCDRO CCOC[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000382449040 711505017 /nfs/dbraw/zinc/50/50/17/711505017.db2.gz HPNOKGNRLCONMW-GHMZBOCLSA-N 1 0 239.315 1.440 20 10 BDCDRO CC[C@H]([NH2+]Cc1cccc(C)c1O)[C@@H](C)O ZINC000386737654 711654280 /nfs/dbraw/zinc/65/42/80/711654280.db2.gz XHQXRQRBRPRZTQ-PWSUYJOCSA-N 1 0 223.316 1.950 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCOC2)c1 ZINC000087416134 711835327 /nfs/dbraw/zinc/83/53/27/711835327.db2.gz FVRYQPUOCPWYCW-JTQLQIEISA-N 1 0 223.272 1.279 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1ccc2c(c1)CCCO2 ZINC000229101097 711837741 /nfs/dbraw/zinc/83/77/41/711837741.db2.gz UQTCECHVDJXCHH-LLVKDONJSA-N 1 0 234.343 1.709 20 10 BDCDRO [NH3+]Cc1ccc2c(c1)CCCN2CCF ZINC000700923646 712010536 /nfs/dbraw/zinc/01/05/36/712010536.db2.gz LUQCFFCXGHXCGL-UHFFFAOYSA-N 1 0 208.280 1.867 20 10 BDCDRO CO[C@@](C)(CO)C[NH2+][C@@H](C)c1ccccc1O ZINC000702513505 712054247 /nfs/dbraw/zinc/05/42/47/712054247.db2.gz HVTGDXRGRZUGOZ-GXFFZTMASA-N 1 0 239.315 1.440 20 10 BDCDRO Oc1ccccc1C[NH2+]CCOCCF ZINC000702633919 712058144 /nfs/dbraw/zinc/05/81/44/712058144.db2.gz XCYYPPPZJORFTN-UHFFFAOYSA-N 1 0 213.252 1.468 20 10 BDCDRO CN1CCC[C@@H]([NH2+]Cc2ccccc2O)C1=O ZINC000704366827 712105199 /nfs/dbraw/zinc/10/51/99/712105199.db2.gz HWDJWWLDJNEHPS-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO CO[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000706539467 712149197 /nfs/dbraw/zinc/14/91/97/712149197.db2.gz VISHEDMAZOGAOL-JOCQHMNTSA-N 1 0 233.311 1.889 20 10 BDCDRO CCc1cccc(C[NH2+]C2(CO)CC2)c1O ZINC000709402426 712220793 /nfs/dbraw/zinc/22/07/93/712220793.db2.gz QTXIINMHGZJHAZ-UHFFFAOYSA-N 1 0 221.300 1.569 20 10 BDCDRO CCc1cccc(C[NH2+][C@@H](C)CO)c1O ZINC000709418469 712221209 /nfs/dbraw/zinc/22/12/09/712221209.db2.gz SKNWSMKEPAOYLI-VIFPVBQESA-N 1 0 209.289 1.425 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000710086341 712244752 /nfs/dbraw/zinc/24/47/52/712244752.db2.gz YQTUDJSYXSJVCW-GFCCVEGCSA-N 1 0 248.326 1.349 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COCC[C@H]1O)CC2 ZINC000710859855 712259662 /nfs/dbraw/zinc/25/96/62/712259662.db2.gz JFSMXELLICTNTH-IJLUTSLNSA-N 1 0 249.310 1.119 20 10 BDCDRO C[C@H]([NH2+][C@@H]1CC[C@H]1O)c1ccccc1O ZINC000378718532 712358096 /nfs/dbraw/zinc/35/80/96/712358096.db2.gz DKSPLOJTIMDIEM-MKPLZMMCSA-N 1 0 207.273 1.566 20 10 BDCDRO CCN1CC[C@H]1C[NH2+]Cc1cccc(C)c1O ZINC000712560975 712446004 /nfs/dbraw/zinc/44/60/04/712446004.db2.gz BUJFTSZLIDNGES-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2[nH]ncc2C)c1 ZINC000716455876 712562327 /nfs/dbraw/zinc/56/23/27/712562327.db2.gz DNRVMVIMHNNPPE-UHFFFAOYSA-N 1 0 247.298 1.722 20 10 BDCDRO COC(C[NH2+][C@H](C)c1ccccc1O)OC ZINC000037473016 712644211 /nfs/dbraw/zinc/64/42/11/712644211.db2.gz RMUVODFMUWQKCZ-SECBINFHSA-N 1 0 225.288 1.662 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]C/C=C/CO)c(O)c1 ZINC000717531293 712660491 /nfs/dbraw/zinc/66/04/91/712660491.db2.gz DPJUROGCWZQKRK-PGLGOXFNSA-N 1 0 221.300 1.900 20 10 BDCDRO OC[C@@H](CC(F)F)[NH2+]Cc1cc(F)ccc1O ZINC000717712903 712666495 /nfs/dbraw/zinc/66/64/95/712666495.db2.gz KQNCLTIOOHRVGU-SECBINFHSA-N 1 0 249.232 1.637 20 10 BDCDRO CN1CC[C@@H]([NH2+][C@H]2CCc3cccc(O)c32)C1 ZINC000380211685 712726538 /nfs/dbraw/zinc/72/65/38/712726538.db2.gz HYELYVPSKVIFFA-NEPJUHHUSA-N 1 0 232.327 1.673 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1COCCO1)c1ccccc1O ZINC000038060523 712804205 /nfs/dbraw/zinc/80/42/05/712804205.db2.gz RGYADTQDGYJZCU-GHMZBOCLSA-N 1 0 237.299 1.458 20 10 BDCDRO O[C@H]1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000720992196 712886208 /nfs/dbraw/zinc/88/62/08/712886208.db2.gz JTBRYVFVJPUQTH-BJHJDKERSA-N 1 0 233.311 1.482 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141155924 960406782 /nfs/dbraw/zinc/40/67/82/960406782.db2.gz AVJVUQWTHSIOTG-KCJUWKMLSA-N 1 0 223.272 1.053 20 10 BDCDRO Cc1cccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236022894 966234706 /nfs/dbraw/zinc/23/47/06/966234706.db2.gz AZBBGEVZXYDWHA-DGCLKSJQSA-N 1 0 218.300 1.234 20 10 BDCDRO Cc1cccc(O)c1CN1CC[C@@H]([NH3+])[C@H]1C ZINC001205202350 967424820 /nfs/dbraw/zinc/42/48/20/967424820.db2.gz RNKJADZOPAPGRV-ZYHUDNBSSA-N 1 0 220.316 1.622 20 10 BDCDRO Nc1ccc(CN2C[C@@H]([NH3+])C[C@H](F)C2)cc1 ZINC001206445228 979021937 /nfs/dbraw/zinc/02/19/37/979021937.db2.gz NVMOLSQXNYWQJD-JQWIXIFHSA-N 1 0 223.295 1.140 20 10 BDCDRO [NH3+]C[C@H]1CCCN1Cc1c(O)cccc1F ZINC001236246365 979468020 /nfs/dbraw/zinc/46/80/20/979468020.db2.gz YAGIRPMIEQWKQG-SECBINFHSA-N 1 0 224.279 1.454 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2O)CO1 ZINC000402183633 970770182 /nfs/dbraw/zinc/77/01/82/970770182.db2.gz BQCFVGZFAGROPQ-KCJUWKMLSA-N 1 0 225.263 1.798 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@@](C)([NH3+])C2)cc1 ZINC000405820380 971311224 /nfs/dbraw/zinc/31/12/24/971311224.db2.gz JZJGAMDOWMPIEF-CQSZACIVSA-N 1 0 233.359 1.676 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@H]1OCc1ccc(N)cc1 ZINC001217790326 971406839 /nfs/dbraw/zinc/40/68/39/971406839.db2.gz ZRSATDSVYRJTGP-ZWNOBZJWSA-N 1 0 220.316 1.783 20 10 BDCDRO CCN1CCc2cc(O[C@H]3CC[NH2+]C3)ccc21 ZINC001218184001 971621929 /nfs/dbraw/zinc/62/19/29/971621929.db2.gz XUJMWQLKBPLSOC-ZDUSSCGKSA-N 1 0 232.327 1.810 20 10 BDCDRO Oc1cccc2c1C[N@H+](Cc1ccnnc1)CC2 ZINC001139985384 957295080 /nfs/dbraw/zinc/29/50/80/957295080.db2.gz PXPOVALFMUEUOG-UHFFFAOYSA-N 1 0 241.294 1.741 20 10 BDCDRO CNC(=O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037253990 957740822 /nfs/dbraw/zinc/74/08/22/957740822.db2.gz KTOWZTVAZJBOAY-JTQLQIEISA-N 1 0 235.331 1.149 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCN3CC[C@H]3C2)c1 ZINC001140624089 959223406 /nfs/dbraw/zinc/22/34/06/959223406.db2.gz FSSDNVCQQVXOAO-ZDUSSCGKSA-N 1 0 232.327 1.591 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@@H](F)C2)c1O ZINC000689863350 959537451 /nfs/dbraw/zinc/53/74/51/959537451.db2.gz PNBQRBREEBNTFF-SNVBAGLBSA-N 1 0 225.263 1.945 20 10 BDCDRO C[NH2+]C[C@H](C)NC(=O)N1Cc2cccc(O)c2C1 ZINC001353489444 960334979 /nfs/dbraw/zinc/33/49/79/960334979.db2.gz BVEVGMQVGSAILE-VIFPVBQESA-N 1 0 249.314 1.025 20 10 BDCDRO Oc1ccc(O)c(C[N@H+]2CCCC[C@@H](O)C2)c1 ZINC001141155961 960406925 /nfs/dbraw/zinc/40/69/25/960406925.db2.gz CANAZBGYSFEUAQ-GFCCVEGCSA-N 1 0 237.299 1.445 20 10 BDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(O)ccc1O ZINC001141155925 960408093 /nfs/dbraw/zinc/40/80/93/960408093.db2.gz AVJVUQWTHSIOTG-LDYMZIIASA-N 1 0 223.272 1.053 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@H](O)C2)c(O)c1 ZINC001140948202 960748871 /nfs/dbraw/zinc/74/88/71/960748871.db2.gz YANIUUQRYWXAEB-BXUZGUMPSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@](C)(CO)C2)c(O)c1 ZINC001140947958 960748982 /nfs/dbraw/zinc/74/89/82/960748982.db2.gz MZOCUJZQKHGEPW-AWEZNQCLSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1ccc(C[N@H+]2CCC3(CN(C)C3)C2)c(O)c1 ZINC001140957505 960755904 /nfs/dbraw/zinc/75/59/04/960755904.db2.gz BWDFCVJBYBBCOU-UHFFFAOYSA-N 1 0 246.354 1.838 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1ccc(C)cc1O ZINC001140957717 960758198 /nfs/dbraw/zinc/75/81/98/960758198.db2.gz LDNPNJYUFZMTJE-UHFFFAOYSA-N 1 0 237.299 1.696 20 10 BDCDRO CC[N@H+](Cc1ccc(C)cc1O)C1COC1 ZINC001140950878 960759867 /nfs/dbraw/zinc/75/98/67/960759867.db2.gz MPUIMWSLDSMCFN-UHFFFAOYSA-N 1 0 221.300 1.921 20 10 BDCDRO COC(C[N@H+](C)Cc1cc(O)ccc1O)OC ZINC001141161154 960894252 /nfs/dbraw/zinc/89/42/52/960894252.db2.gz MYTGLSOAOLCTAZ-UHFFFAOYSA-N 1 0 241.287 1.149 20 10 BDCDRO CN(Cc1cc(O)ccc1O)[C@H]1CC[N@H+](C)C1 ZINC001141159242 960895894 /nfs/dbraw/zinc/89/58/94/960895894.db2.gz DJOVIDSPMSNYCU-NSHDSACASA-N 1 0 236.315 1.234 20 10 BDCDRO Oc1ccc(O)c(CN2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC001141158791 960896234 /nfs/dbraw/zinc/89/62/34/960896234.db2.gz NLTNHMGSLNMSQT-GFCCVEGCSA-N 1 0 248.326 1.378 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3CCO[C@@H]3C2)c1 ZINC001141160970 960896567 /nfs/dbraw/zinc/89/65/67/960896567.db2.gz LGHQPCKYULOYGG-TVQRCGJNSA-N 1 0 235.283 1.319 20 10 BDCDRO C[C@@H](CCNC(=O)Cc1ccc(N)cc1)[NH+](C)C ZINC000697921093 964687218 /nfs/dbraw/zinc/68/72/18/964687218.db2.gz TUFNPGDXMCDHJK-NSHDSACASA-N 1 0 249.358 1.268 20 10 BDCDRO COc1cccc(N)c1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC001162399778 964959975 /nfs/dbraw/zinc/95/99/75/964959975.db2.gz DPUASFGLTTZDHZ-ZJUUUORDSA-N 1 0 235.331 1.959 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2ccc(Cl)cc2O)C1 ZINC001236169173 966283536 /nfs/dbraw/zinc/28/35/36/966283536.db2.gz BCEZGPIEPBPJIA-SNVBAGLBSA-N 1 0 226.707 1.579 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CC[C@H]2OCC[C@H]21 ZINC001203550219 966677635 /nfs/dbraw/zinc/67/76/35/966677635.db2.gz MVAXGJJKWKYRQR-DGCLKSJQSA-N 1 0 219.284 1.755 20 10 BDCDRO Cn1ncc2c1CC[N@H+](Cc1ccccc1O)C2 ZINC001203558700 966686651 /nfs/dbraw/zinc/68/66/51/966686651.db2.gz WTFDVAZLNJPKIJ-UHFFFAOYSA-N 1 0 243.310 1.684 20 10 BDCDRO Oc1ccccc1C[N@@H+]1CCCC12COC2 ZINC001203556956 966688884 /nfs/dbraw/zinc/68/88/84/966688884.db2.gz XMDOLDDJQLZMGD-UHFFFAOYSA-N 1 0 219.284 1.757 20 10 BDCDRO CC1(C(N)=O)CC[NH+](Cc2ccccc2O)CC1 ZINC001203555766 966689577 /nfs/dbraw/zinc/68/95/77/966689577.db2.gz HYNUDUPTINRYHP-UHFFFAOYSA-N 1 0 248.326 1.480 20 10 BDCDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1Cc1ccc(O)c(O)c1 ZINC001203875735 966804792 /nfs/dbraw/zinc/80/47/92/966804792.db2.gz TWHZAOUQXYHMDI-MWLCHTKSSA-N 1 0 237.299 1.443 20 10 BDCDRO Oc1ccc(CN2CC[N@@H+]3CCC[C@@H]3C2)cc1O ZINC001203879647 966805806 /nfs/dbraw/zinc/80/58/06/966805806.db2.gz WIRQEKRNVSVDMK-GFCCVEGCSA-N 1 0 248.326 1.378 20 10 BDCDRO C[C@]1(O)CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875582 966806437 /nfs/dbraw/zinc/80/64/37/966806437.db2.gz QSIBKRDAWNWELC-LBPRGKRZSA-N 1 0 223.272 1.055 20 10 BDCDRO CN1CCC[N@H+](Cc2ccc(O)cc2O)CC1 ZINC001204273067 966949565 /nfs/dbraw/zinc/94/95/65/966949565.db2.gz WGEMPULNRRSYRC-UHFFFAOYSA-N 1 0 236.315 1.235 20 10 BDCDRO Oc1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(O)c1 ZINC001204277011 966954742 /nfs/dbraw/zinc/95/47/42/966954742.db2.gz VUSNZOSGNZOCEZ-PHIMTYICSA-N 1 0 235.283 1.176 20 10 BDCDRO Cn1cc(C[N@H+](C)Cc2ccc(O)cc2O)cn1 ZINC001204273115 966956001 /nfs/dbraw/zinc/95/60/01/966956001.db2.gz YUXQOYZHGDMJQT-UHFFFAOYSA-N 1 0 247.298 1.463 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@H]3OCC[C@H]32)c(O)c1 ZINC001204276586 966960198 /nfs/dbraw/zinc/96/01/98/966960198.db2.gz NTOBLMDIIASYGM-DGCLKSJQSA-N 1 0 235.283 1.461 20 10 BDCDRO [NH3+][C@H]1CN(Cc2c([O-])cc(F)cc2F)C[C@H]1F ZINC001204824871 967186221 /nfs/dbraw/zinc/18/62/21/967186221.db2.gz WOCGRLUKIIOYIU-ZJUUUORDSA-N 1 0 246.232 1.151 20 10 BDCDRO Cc1ccc(C)c(CN2CC(C)([NH3+])C2)c1O ZINC001204979976 967274185 /nfs/dbraw/zinc/27/41/85/967274185.db2.gz WOVNKYUETKPUNW-UHFFFAOYSA-N 1 0 220.316 1.542 20 10 BDCDRO C/C(=C\C=C\N)c1ccc(N2CC[NH2+]CC2)cc1 ZINC001205563925 967699389 /nfs/dbraw/zinc/69/93/89/967699389.db2.gz ICTQAUNYCPZJFL-JRJWWQKUSA-N 1 0 243.354 1.972 20 10 BDCDRO COc1ccc(N2CC[C@H]([NH3+])C2)c2[nH]ccc21 ZINC001164282603 968208693 /nfs/dbraw/zinc/20/86/93/968208693.db2.gz YXRLECGOSVSIJK-VIFPVBQESA-N 1 0 231.299 1.714 20 10 BDCDRO CO/C=C/c1ccc(N2CC[C@H]([NH3+])C2)cc1 ZINC001164286046 968211073 /nfs/dbraw/zinc/21/10/73/968211073.db2.gz DDRZGRKVSKHPMI-CRALRDPISA-N 1 0 218.300 1.841 20 10 BDCDRO Oc1ccccc1C[NH2+]CC1CSC1 ZINC000829324579 968828843 /nfs/dbraw/zinc/82/88/43/968828843.db2.gz HLENVQWUFYLDHF-UHFFFAOYSA-N 1 0 209.314 1.845 20 10 BDCDRO COC(=O)[C@H](C)C[N@@H+]1CCc2cccc(O)c2C1 ZINC001208723162 969208719 /nfs/dbraw/zinc/20/87/19/969208719.db2.gz MQFTXVNPVPZLIN-SNVBAGLBSA-N 1 0 249.310 1.559 20 10 BDCDRO C/C(=C\C=C\N)[NH2+]Cc1ccc(O)c(O)c1 ZINC001169994788 969974536 /nfs/dbraw/zinc/97/45/36/969974536.db2.gz HWXGOVANJRYIBE-YGQDEOHPSA-N 1 0 220.272 1.564 20 10 BDCDRO Cc1[nH+]ccc(NCc2ccc(O)c(O)c2)c1F ZINC001169996983 969978497 /nfs/dbraw/zinc/97/84/97/969978497.db2.gz PKERFQWLMOFWJB-UHFFFAOYSA-N 1 0 248.257 1.974 20 10 BDCDRO Nc1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001327959426 972832515 /nfs/dbraw/zinc/83/25/15/972832515.db2.gz BDDUSEKGKHRYBE-UHFFFAOYSA-N 1 0 245.326 1.836 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCC[C@H]3C[C@H]32)c(O)c1 ZINC001144515831 972856769 /nfs/dbraw/zinc/85/67/69/972856769.db2.gz GOTRWJOUUJFUOG-GZMMTYOYSA-N 1 0 235.283 1.788 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1ccc(N2CCCC2)cc1 ZINC001328508082 973118620 /nfs/dbraw/zinc/11/86/20/973118620.db2.gz VNHGWXULYLLCMK-CYBMUJFWSA-N 1 0 247.386 1.984 20 10 BDCDRO COc1ccc(N2CC3(CC[N@@H+]3C)C2)cc1 ZINC001276925129 973301507 /nfs/dbraw/zinc/30/15/07/973301507.db2.gz WLGBLGJJHAHQKR-UHFFFAOYSA-N 1 0 218.300 1.590 20 10 BDCDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C3(CC3)C2)c(O)c1 ZINC001333370397 975716928 /nfs/dbraw/zinc/71/69/28/975716928.db2.gz IMDGHSXXGOKQNZ-CYBMUJFWSA-N 1 0 233.311 1.657 20 10 BDCDRO COc1ccc(Nc2cc[nH+]cc2)c(O)c1 ZINC001173883460 975957097 /nfs/dbraw/zinc/95/70/97/975957097.db2.gz QFVQUOKAMQRRAH-UHFFFAOYSA-N 1 0 216.240 1.961 20 10 BDCDRO CC1(C)OC[C@@H]2C[C@@]21[NH2+]Cc1ccc(N)cc1 ZINC001334753958 976619409 /nfs/dbraw/zinc/61/94/09/976619409.db2.gz KGWMABICENWHJI-SMDDNHRTSA-N 1 0 232.327 1.926 20 10 BDCDRO C[NH2+][C@@H]1CCCN(Cc2ccc(N)cc2)C1 ZINC001334775456 976642613 /nfs/dbraw/zinc/64/26/13/976642613.db2.gz YHMILKHXUWOLKS-CYBMUJFWSA-N 1 0 219.332 1.453 20 10 BDCDRO Cc1c[nH+]ccc1Nc1c(N)cccc1O ZINC001174538497 976825112 /nfs/dbraw/zinc/82/51/12/976825112.db2.gz HRYUJMKRTQLXPQ-UHFFFAOYSA-N 1 0 215.256 1.843 20 10 BDCDRO COCCC[N@H+](CCO)Cc1ccc(N)cc1 ZINC001336287001 977620116 /nfs/dbraw/zinc/62/01/16/977620116.db2.gz VRPMDGJQSSUQBS-UHFFFAOYSA-N 1 0 238.331 1.100 20 10 BDCDRO Cc1cccc(C[NH+]2CC(C(=O)N(C)C)C2)c1O ZINC001231591968 977639758 /nfs/dbraw/zinc/63/97/58/977639758.db2.gz DJNYJRZYXRJCCL-UHFFFAOYSA-N 1 0 248.326 1.221 20 10 BDCDRO Cc1cccc(C[NH+]2CC(CO)C2)c1O ZINC001231593432 977639785 /nfs/dbraw/zinc/63/97/85/977639785.db2.gz YAEDJWRDHPEJMH-UHFFFAOYSA-N 1 0 207.273 1.125 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](F)C2)c1O ZINC001231591057 977641696 /nfs/dbraw/zinc/64/16/96/977641696.db2.gz RJJHITWVAPYDDP-WDEREUQCSA-N 1 0 225.263 1.215 20 10 BDCDRO Cc1cc(C)c(C[NH+]2CC3(CC(O)C3)C2)c(O)c1 ZINC001231843371 977760425 /nfs/dbraw/zinc/76/04/25/977760425.db2.gz XEZWFDYVMQAPEG-UHFFFAOYSA-N 1 0 247.338 1.966 20 10 BDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1c([O-])ccc(F)c1F ZINC001233332596 978566450 /nfs/dbraw/zinc/56/64/50/978566450.db2.gz QIDKPGYKIQAYQG-HTQZYQBOSA-N 1 0 243.253 1.626 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc(O)c(O)cc2O)C1 ZINC001233483237 978613046 /nfs/dbraw/zinc/61/30/46/978613046.db2.gz RSZOPUZVZAZZBK-QMMMGPOBSA-N 1 0 223.272 1.645 20 10 BDCDRO CC(=O)C1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204278603 978930739 /nfs/dbraw/zinc/93/07/39/978930739.db2.gz GJVNECJVFPAEEA-UHFFFAOYSA-N 1 0 249.310 1.899 20 10 BDCDRO Oc1ccc(CN2CC[NH+]3CCC2CC3)c(O)c1 ZINC001204280371 978942496 /nfs/dbraw/zinc/94/24/96/978942496.db2.gz KCSBWPCBQXWGGA-UHFFFAOYSA-N 1 0 248.326 1.378 20 10 BDCDRO Cc1c(O)ccc(CN2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235074840 978969529 /nfs/dbraw/zinc/96/95/29/978969529.db2.gz HLLIPWDWSKWDDX-VXGBXAGGSA-N 1 0 248.326 1.342 20 10 BDCDRO Oc1ccc(F)cc1CN1CC[C@H]2[NH2+]CC[C@H]21 ZINC001235079576 978972004 /nfs/dbraw/zinc/97/20/04/978972004.db2.gz VEHVWXZIPXFKON-VXGBXAGGSA-N 1 0 236.290 1.468 20 10 BDCDRO Nc1ccc(CN2C[C@H](F)C[C@H]([NH3+])C2)cc1 ZINC001206445230 979022697 /nfs/dbraw/zinc/02/26/97/979022697.db2.gz NVMOLSQXNYWQJD-PWSUYJOCSA-N 1 0 223.295 1.140 20 10 BDCDRO Cc1ccc(CN2C[C@H]3CC[C@@]3([NH3+])C2)c(O)c1 ZINC001235988513 979265468 /nfs/dbraw/zinc/26/54/68/979265468.db2.gz GQCJOZMCNVJSAL-TZMCWYRMSA-N 1 0 232.327 1.624 20 10 BDCDRO CCOc1cccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236019382 979312709 /nfs/dbraw/zinc/31/27/09/979312709.db2.gz XEPDTVGKLGWKHR-FZMZJTMJSA-N 1 0 248.326 1.324 20 10 BDCDRO [NH3+][C@@]12C[C@@H]1CN(Cc1c(O)ccc(F)c1F)C2 ZINC001236023111 979318014 /nfs/dbraw/zinc/31/80/14/979318014.db2.gz GBSQLCYQVALBCB-JMCQJSRRSA-N 1 0 240.253 1.203 20 10 BDCDRO C[C@@H]1C[C@H]([NH3+])CN(Cc2ccc(N)cc2)C1 ZINC001236048103 979342774 /nfs/dbraw/zinc/34/27/74/979342774.db2.gz BQJXVEFYTUHEAU-MFKMUULPSA-N 1 0 219.332 1.438 20 10 BDCDRO Cc1c(C[N@H+](C)CCO)c2ccccc2n1C ZINC001236254180 979471084 /nfs/dbraw/zinc/47/10/84/979471084.db2.gz QYTOWPMRIUPAFZ-UHFFFAOYSA-N 1 0 232.327 1.911 20 10 BDCDRO Nc1ccc(CNC(=O)[C@H]([NH3+])C2CCC2)cc1 ZINC001342019510 979621132 /nfs/dbraw/zinc/62/11/32/979621132.db2.gz DUHYBRQGADYSEA-GFCCVEGCSA-N 1 0 233.315 1.012 20 10 BDCDRO CC(C)[NH2+]CCC(=O)NCc1ccc(N)cc1 ZINC001342019362 979622235 /nfs/dbraw/zinc/62/22/35/979622235.db2.gz CVWWQPXJSVAAQQ-UHFFFAOYSA-N 1 0 235.331 1.273 20 10 BDCDRO Nc1ccc(CNC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC001342023217 979624516 /nfs/dbraw/zinc/62/45/16/979624516.db2.gz UBAQYNIYEXCHTP-GFCCVEGCSA-N 1 0 233.315 1.012 20 10 BDCDRO C[NH+](C)Cc1cc(O)c(Br)cc1O ZINC001236773822 979722303 /nfs/dbraw/zinc/72/23/03/979722303.db2.gz ULCRZERHKQPEDX-UHFFFAOYSA-N 1 0 246.104 1.922 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](F)[C@@H](O)C1 ZINC001237482387 979908371 /nfs/dbraw/zinc/90/83/71/979908371.db2.gz LAMNUMCQUJWRCP-AAEUAGOBSA-N 1 0 239.290 1.605 20 10 BDCDRO CC(=O)C[N@@H+](C)Cc1c(C)cccc1O ZINC001237486203 979909033 /nfs/dbraw/zinc/90/90/33/979909033.db2.gz XOIIAZZRENQFHI-UHFFFAOYSA-N 1 0 207.273 1.721 20 10 BDCDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1c(C)cccc1O ZINC001237485800 979910070 /nfs/dbraw/zinc/91/00/70/979910070.db2.gz SYZLDKAPHQALTR-LBPRGKRZSA-N 1 0 249.310 1.838 20 10 BDCDRO C[NH2+][C@H](C)CC[NH2+]Cc1cccc(F)c1[O-] ZINC001345105047 980551333 /nfs/dbraw/zinc/55/13/33/980551333.db2.gz OYZGCCCCXPDCJS-SECBINFHSA-N 1 0 226.295 1.619 20 10 BDCDRO CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(N)cc1 ZINC001346209409 980786017 /nfs/dbraw/zinc/78/60/17/980786017.db2.gz ISHBSEHRHSZKFD-GFCCVEGCSA-N 1 0 235.331 1.258 20 10 BDCDRO C[C@H](NC(=O)NCC1([NH3+])CC1)c1ccccc1O ZINC001346663612 980877102 /nfs/dbraw/zinc/87/71/02/980877102.db2.gz FENBBFOQZKLLQE-VIFPVBQESA-N 1 0 249.314 1.244 20 10 BDCDRO C[C@@]12COC[C@@H]1C[N@H+](Cc1ccc(N)cc1)C2 ZINC001352788641 982582227 /nfs/dbraw/zinc/58/22/27/982582227.db2.gz FVWOKKREPUSZNZ-GXTWGEPZSA-N 1 0 232.327 1.737 20 10 BDCDRO C[C@@H]1C[C@H](C(=O)N(C)c2ccc(N)cc2)CC[NH2+]1 ZINC001354436636 983305286 /nfs/dbraw/zinc/30/52/86/983305286.db2.gz MOELXNLLIGOYLQ-GHMZBOCLSA-N 1 0 247.342 1.620 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000717401339 984193999 /nfs/dbraw/zinc/19/39/99/984193999.db2.gz SXMVNWQZCPLIOR-SNVBAGLBSA-N 1 0 249.232 1.795 20 10 BDCDRO Oc1ccc(CC[NH2+][C@H]2CCCOC2)cc1O ZINC001254364502 986591436 /nfs/dbraw/zinc/59/14/36/986591436.db2.gz UVNWPKKGLWGOTE-NSHDSACASA-N 1 0 237.299 1.409 20 10 BDCDRO [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cl)cc2[O-])C1 ZINC001580423378 986841742 /nfs/dbraw/zinc/84/17/42/986841742.db2.gz YHWPWJPLVNNTFY-AOOOYVTPSA-N 1 0 226.707 1.625 20 10 BDCDRO C[C@H](NCc1ccc(N(C)C)cc1)[C@@H]1CCC[NH2+]1 ZINC000400714373 987299828 /nfs/dbraw/zinc/29/98/28/987299828.db2.gz FHLTUKRMAUATTN-WFASDCNBSA-N 1 0 247.386 1.983 20 10 BDCDRO C[NH2+]C[C@@H](C)C[NH2+]Cc1c(O)cccc1OC ZINC001117953178 987959293 /nfs/dbraw/zinc/95/92/93/987959293.db2.gz BVPVGQPXMPHNRD-SNVBAGLBSA-N 1 0 238.331 1.346 20 10 BDCDRO CC(C)[C@H](C(=O)NCc1ccc(N)cc1)[C@H](C)[NH3+] ZINC001515331481 989026303 /nfs/dbraw/zinc/02/63/03/989026303.db2.gz FFDFRQPUJDECCT-GWCFXTLKSA-N 1 0 249.358 1.504 20 10 BDCDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(N)cc1 ZINC001515331534 989026434 /nfs/dbraw/zinc/02/64/34/989026434.db2.gz FMONNPPYKSXWQH-UHFFFAOYSA-N 1 0 235.331 1.225 20 10 BDCDRO CC[C@H]([NH2+]Cc1c(O)cccc1OC)[C@@H](C)O ZINC001325133330 989095868 /nfs/dbraw/zinc/09/58/68/989095868.db2.gz PIVRNMDTXAPWHX-KOLCDFICSA-N 1 0 239.315 1.650 20 10 BDCDRO C[C@@H](NC(=O)CC1CC([NH3+])C1)c1ccccc1O ZINC001122191707 990286900 /nfs/dbraw/zinc/28/69/00/990286900.db2.gz OGAVPASMUHAJNR-KPPDAEKUSA-N 1 0 248.326 1.697 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2O)C[C@H]1O ZINC001308955017 991233048 /nfs/dbraw/zinc/23/30/48/991233048.db2.gz WNUDPAWNKQJWCS-PRHODGIISA-N 1 0 241.718 1.858 20 10 BDCDRO Oc1ccc(F)cc1C[N@@H+]1CC[C@@H](F)[C@@H](O)C1 ZINC001140058324 991510696 /nfs/dbraw/zinc/51/06/96/991510696.db2.gz WWOVZAHNKOIAON-PWSUYJOCSA-N 1 0 243.253 1.436 20 10 BDCDRO Oc1ccc(F)cc1CN1CC[N@@H+]2CC[C@@H]2C1 ZINC001140056251 991511515 /nfs/dbraw/zinc/51/15/15/991511515.db2.gz NZRDVPHXOZYKOZ-GFCCVEGCSA-N 1 0 236.290 1.421 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC001140179801 991548938 /nfs/dbraw/zinc/54/89/38/991548938.db2.gz PNDNZBLXPJLBLS-LBPRGKRZSA-N 1 0 235.327 1.823 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CC(C)(CO)C2)c1O ZINC001140178494 991549207 /nfs/dbraw/zinc/54/92/07/991549207.db2.gz MQPBOSSCXYZVTJ-UHFFFAOYSA-N 1 0 235.327 1.823 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@](C)(O)C2)c1O ZINC001140178165 991550995 /nfs/dbraw/zinc/55/09/95/991550995.db2.gz BKHBDEMPGBQVLQ-AWEZNQCLSA-N 1 0 235.327 1.966 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC001560811244 991609633 /nfs/dbraw/zinc/60/96/33/991609633.db2.gz COQMLGAJUCUYFQ-TVQRCGJNSA-N 1 0 239.290 1.734 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C1 ZINC001262486809 992891536 /nfs/dbraw/zinc/89/15/36/992891536.db2.gz BCJBKOGTGVQEIS-LLVKDONJSA-N 1 0 234.299 1.264 20 10 BDCDRO C[NH2+]C[C@H](C)C(=O)NCc1c(O)cccc1F ZINC001263199832 993160997 /nfs/dbraw/zinc/16/09/97/993160997.db2.gz RVVKEJMUBQWEMU-QMMMGPOBSA-N 1 0 240.278 1.003 20 10 BDCDRO CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC001576380057 993284068 /nfs/dbraw/zinc/28/40/68/993284068.db2.gz GHZHYDPRQFBPFX-MNOVXSKESA-N 1 0 238.306 1.747 20 10 BDCDRO CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC001576380058 993287637 /nfs/dbraw/zinc/28/76/37/993287637.db2.gz GHZHYDPRQFBPFX-QWRGUYRKSA-N 1 0 238.306 1.747 20 10 BDCDRO COc1cccc(CN2CC[C@@H]([NH3+])[C@H]2C)c1O ZINC000383435508 993492693 /nfs/dbraw/zinc/49/26/93/993492693.db2.gz FGTLPJXATNLFGM-MWLCHTKSSA-N 1 0 236.315 1.322 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)CCCN2C ZINC000386020882 993675111 /nfs/dbraw/zinc/67/51/11/993675111.db2.gz WQVOCCLNMWBTOB-LBPRGKRZSA-N 1 0 247.386 1.848 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@@H]1CO ZINC000700439449 993836179 /nfs/dbraw/zinc/83/61/79/993836179.db2.gz SRCMMJHNKODLHX-DGCLKSJQSA-N 1 0 234.343 1.719 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC001307638538 995422202 /nfs/dbraw/zinc/42/22/02/995422202.db2.gz OZUNIUNADUHXBB-SWLSCSKDSA-N 1 0 248.370 1.955 20 10 BDCDRO CN(C)CC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297197749 343996534 /nfs/dbraw/zinc/99/65/34/343996534.db2.gz FVCXVOTYSVJPMR-LLVKDONJSA-N 1 0 220.316 1.531 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+][C@H]2C[C@@H](O)C2)c1 ZINC000294790457 398263747 /nfs/dbraw/zinc/26/37/47/398263747.db2.gz HNLYEYVPQFKGEY-PHIMTYICSA-N 1 0 237.299 1.404 20 10 BDCDRO COC[C@H](C)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000044477940 343502149 /nfs/dbraw/zinc/50/21/49/343502149.db2.gz UEBMIUFERKQLFF-LLVKDONJSA-N 1 0 235.327 1.994 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C(=O)NCC[C@H]2C)c1 ZINC000193692250 178798877 /nfs/dbraw/zinc/79/88/77/178798877.db2.gz UIIMQPUZGSFFKD-MFKMUULPSA-N 1 0 248.326 1.315 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H](C)N(C)C)c1O ZINC000163729323 179092677 /nfs/dbraw/zinc/09/26/77/179092677.db2.gz PHTIJEIQRXKHCP-LLVKDONJSA-N 1 0 222.332 1.740 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1O ZINC000128233416 179100012 /nfs/dbraw/zinc/10/00/12/179100012.db2.gz XMQCEBJYXGJSSU-VXGBXAGGSA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000294846638 179100055 /nfs/dbraw/zinc/10/00/55/179100055.db2.gz NALOOAHEUMJXII-PHIMTYICSA-N 1 0 207.273 1.314 20 10 BDCDRO Cc1cccc2c1N(C(=O)C1=CC[C@H]([NH3+])C1)CC2 ZINC000638287699 352123532 /nfs/dbraw/zinc/12/35/32/352123532.db2.gz YXFZSOMGCBWSRT-ZDUSSCGKSA-N 1 0 242.322 1.932 20 10 BDCDRO COc1ccc(N(C)C(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638382381 352191710 /nfs/dbraw/zinc/19/17/10/352191710.db2.gz TXYWNUSODDKHID-LLVKDONJSA-N 1 0 246.310 1.706 20 10 BDCDRO C[N@H+](CCC(N)=O)Cc1c(O)cccc1Cl ZINC000289575461 538110371 /nfs/dbraw/zinc/11/03/71/538110371.db2.gz JREKWKKGUVDGSK-UHFFFAOYSA-N 1 0 242.706 1.353 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccccc1O ZINC000294896031 353792727 /nfs/dbraw/zinc/79/27/27/353792727.db2.gz RFOIFYXRJDVRLC-JFGNBEQYSA-N 1 0 221.300 1.956 20 10 BDCDRO NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000179553362 181279853 /nfs/dbraw/zinc/27/98/53/181279853.db2.gz NCDJOEODXNQVSW-LLVKDONJSA-N 1 0 234.299 1.232 20 10 BDCDRO OCC1([NH2+]Cc2ccc3c(c2)CCO3)CCC1 ZINC000133141304 183037937 /nfs/dbraw/zinc/03/79/37/183037937.db2.gz OMZVGIRUXORYLC-UHFFFAOYSA-N 1 0 233.311 1.626 20 10 BDCDRO OCC1([NH2+]Cc2ccccc2O)CCC1 ZINC000157498295 183038701 /nfs/dbraw/zinc/03/87/01/183038701.db2.gz NGBWUDPUXYQUEA-UHFFFAOYSA-N 1 0 207.273 1.397 20 10 BDCDRO Oc1ccccc1C[NH2+]CCN1CC=CCC1 ZINC000279776656 183301593 /nfs/dbraw/zinc/30/15/93/183301593.db2.gz KXESFHSHMNMETO-UHFFFAOYSA-N 1 0 232.327 1.744 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188818690 183303193 /nfs/dbraw/zinc/30/31/93/183303193.db2.gz IWYRJVOFKJLDAE-CMPLNLGQSA-N 1 0 221.300 1.643 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCC[C@@H]1O ZINC000125265886 183304075 /nfs/dbraw/zinc/30/40/75/183304075.db2.gz PYBCVWXVNMKILQ-JQWIXIFHSA-N 1 0 207.273 1.395 20 10 BDCDRO CCCNC(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000375310505 169211018 /nfs/dbraw/zinc/21/10/18/169211018.db2.gz RTXZFHYOVLIEIY-UHFFFAOYSA-N 1 0 246.358 1.703 20 10 BDCDRO CCC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823775 169386825 /nfs/dbraw/zinc/38/68/25/169386825.db2.gz FFZFGHGWWUQEDH-LLVKDONJSA-N 1 0 236.315 1.478 20 10 BDCDRO CC[C@H](CO)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052482 383824107 /nfs/dbraw/zinc/82/41/07/383824107.db2.gz QLYMTGCCTHJOGC-GFCCVEGCSA-N 1 0 223.316 1.864 20 10 BDCDRO CC(C)[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000038313032 384081299 /nfs/dbraw/zinc/08/12/99/384081299.db2.gz SHVPVNHYJGUUJF-LLVKDONJSA-N 1 0 209.289 1.499 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C2(CO)CCC2)cc1 ZINC000133142806 384274309 /nfs/dbraw/zinc/27/43/09/384274309.db2.gz UNVUVIKTKQCHTN-UHFFFAOYSA-N 1 0 234.343 1.757 20 10 BDCDRO CCOc1cccc(C[N@H+](C)CCOC)c1O ZINC000133463051 384293446 /nfs/dbraw/zinc/29/34/46/384293446.db2.gz WKDHZYWVZGXCPV-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC(C)(C)O)c1 ZINC000078638699 384454222 /nfs/dbraw/zinc/45/42/22/384454222.db2.gz VPZDPDQDCDMTES-UHFFFAOYSA-N 1 0 209.289 1.561 20 10 BDCDRO CC[C@](C)(O)C[NH2+]Cc1cccc(OC)c1O ZINC000096478745 384462987 /nfs/dbraw/zinc/46/29/87/384462987.db2.gz DJPNKXXXJXTXBD-ZDUSSCGKSA-N 1 0 239.315 1.651 20 10 BDCDRO COc1cc(Cl)cc(C[N@H+](C)CCO)c1O ZINC000184671998 384636854 /nfs/dbraw/zinc/63/68/54/384636854.db2.gz FEAKPYSVISEAGG-UHFFFAOYSA-N 1 0 245.706 1.478 20 10 BDCDRO COC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000124812874 384679063 /nfs/dbraw/zinc/67/90/63/384679063.db2.gz IHYLDVGOLPNJQP-GFCCVEGCSA-N 1 0 249.310 1.838 20 10 BDCDRO C[C@@H](CCCO)[NH2+]Cc1ccccc1O ZINC000087358344 384773720 /nfs/dbraw/zinc/77/37/20/384773720.db2.gz XDEPVGPDLNLPRS-JTQLQIEISA-N 1 0 209.289 1.643 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@H](C)CO)c(O)c1 ZINC000083219204 384751771 /nfs/dbraw/zinc/75/17/71/384751771.db2.gz DMCHHMIEBFEDPQ-WDEREUQCSA-N 1 0 223.316 1.980 20 10 BDCDRO C[C@@H]([NH2+]C[C@H](C)CO)c1cc(F)ccc1O ZINC000087111425 385076014 /nfs/dbraw/zinc/07/60/14/385076014.db2.gz IJJORDKEBAVHLH-DTWKUNHWSA-N 1 0 227.279 1.810 20 10 BDCDRO C[C@@H](CC[S@@](C)=O)[NH2+]Cc1ccccc1O ZINC000131297885 385325221 /nfs/dbraw/zinc/32/52/21/385325221.db2.gz RIHUFTMVZIWJMN-QFYYESIMSA-N 1 0 241.356 1.639 20 10 BDCDRO CCN(CC)c1ccc(CNC(=O)C[NH2+]C)cc1 ZINC000178712009 385414474 /nfs/dbraw/zinc/41/44/74/385414474.db2.gz JBZQRIRNTVUOKH-UHFFFAOYSA-N 1 0 249.358 1.368 20 10 BDCDRO C[C@@H](O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180861535 385552862 /nfs/dbraw/zinc/55/28/62/385552862.db2.gz DWKXXHQEYMKAFM-NXEZZACHSA-N 1 0 239.290 1.734 20 10 BDCDRO CCOc1ccc(O)c(C[N@H+](C)CCOC)c1 ZINC000271046501 385778239 /nfs/dbraw/zinc/77/82/39/385778239.db2.gz QXSVHSFZAFCXOZ-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO CC[N@H+](CCCO)Cc1cccc(OC)c1O ZINC000271182875 385800573 /nfs/dbraw/zinc/80/05/73/385800573.db2.gz IFYXMRNDBPYPMY-UHFFFAOYSA-N 1 0 239.315 1.605 20 10 BDCDRO Cc1c(C[NH2+]Cc2cc(F)ccc2O)cnn1C ZINC000226618454 386346373 /nfs/dbraw/zinc/34/63/73/386346373.db2.gz DMBQABMZSJUCKQ-UHFFFAOYSA-N 1 0 249.289 1.863 20 10 BDCDRO COC[C@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000226565064 386334191 /nfs/dbraw/zinc/33/41/91/386334191.db2.gz JUQBDERIMXIGSV-JTQLQIEISA-N 1 0 239.290 2.000 20 10 BDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000291735696 386576680 /nfs/dbraw/zinc/57/66/80/386576680.db2.gz OJXLJFPCPMIEGK-NSHDSACASA-N 1 0 240.322 1.752 20 10 BDCDRO O=C1C[C@]2(CC[N@@H+](Cc3ccccc3O)C2)CN1 ZINC000279322500 386663368 /nfs/dbraw/zinc/66/33/68/386663368.db2.gz CGSGSSYTNZAZMT-CQSZACIVSA-N 1 0 246.310 1.104 20 10 BDCDRO CCC[C@](C)([NH3+])C(=O)NCc1ccccc1O ZINC000166202120 386765240 /nfs/dbraw/zinc/76/52/40/386765240.db2.gz OASVFSFRYKMVLU-ZDUSSCGKSA-N 1 0 236.315 1.526 20 10 BDCDRO O=C(C[NH2+]Cc1ccccc1O)NCC1CC1 ZINC000165909094 386741594 /nfs/dbraw/zinc/74/15/94/386741594.db2.gz NKSPMYRKAFYORR-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1cc(F)ccc1O ZINC000293749376 386872413 /nfs/dbraw/zinc/87/24/13/386872413.db2.gz WPXABYQLDFKOAZ-LLVKDONJSA-N 1 0 225.263 1.752 20 10 BDCDRO CO[C@H](C[NH2+]Cc1ccccc1O)C1CC1 ZINC000292884429 387249357 /nfs/dbraw/zinc/24/93/57/387249357.db2.gz CHPLSSKSPCZIBL-CYBMUJFWSA-N 1 0 221.300 1.907 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)C(=O)N1CCCC1 ZINC000134405608 387807067 /nfs/dbraw/zinc/80/70/67/387807067.db2.gz NXIKDWNTTQBMNS-NSHDSACASA-N 1 0 248.326 1.493 20 10 BDCDRO Cc1nocc1C[NH2+]Cc1ccccc1O ZINC000293668441 388357990 /nfs/dbraw/zinc/35/79/90/388357990.db2.gz UQPQBPSMDNKBJZ-UHFFFAOYSA-N 1 0 218.256 1.978 20 10 BDCDRO Cn1nccc1C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000295771550 388413138 /nfs/dbraw/zinc/41/31/38/388413138.db2.gz AJSKLMAYEBDILO-LBPRGKRZSA-N 1 0 243.310 1.903 20 10 BDCDRO C[C@H](CCO)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297529347 388431057 /nfs/dbraw/zinc/43/10/57/388431057.db2.gz DLRNSVXYGKQESH-ZYHUDNBSSA-N 1 0 235.327 1.988 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C)C2)c(O)c1 ZINC000273612485 389043527 /nfs/dbraw/zinc/04/35/27/389043527.db2.gz WLQPPFWFXAPTTN-MNOVXSKESA-N 1 0 248.326 1.582 20 10 BDCDRO CC[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1ccccc1O ZINC000274859957 170909328 /nfs/dbraw/zinc/90/93/28/170909328.db2.gz CQOUTCQKYXWLAW-ZYHUDNBSSA-N 1 0 248.326 1.664 20 10 BDCDRO CC[C@@]1(C(=O)Nc2ccc(N)cc2)CC[NH2+]C1 ZINC000119220562 171197991 /nfs/dbraw/zinc/19/79/91/171197991.db2.gz FHFCKUVRBLUXPW-CYBMUJFWSA-N 1 0 233.315 1.597 20 10 BDCDRO CN1CCC[C@@H]1C[NH2+]Cc1cc(F)ccc1O ZINC000226587847 173032454 /nfs/dbraw/zinc/03/24/54/173032454.db2.gz QRXSGDDHOYMHBM-GFCCVEGCSA-N 1 0 238.306 1.715 20 10 BDCDRO CN1CC[N@H+](Cc2ccccc2O)C(C)(C)C1 ZINC000271474367 173090820 /nfs/dbraw/zinc/09/08/20/173090820.db2.gz ZRYLXUJUUDSTJZ-UHFFFAOYSA-N 1 0 234.343 1.918 20 10 BDCDRO CNC(=O)CCC[NH2+]Cc1ccccc1O ZINC000136403516 173242100 /nfs/dbraw/zinc/24/21/00/173242100.db2.gz OZFMXNWEGKKHAM-UHFFFAOYSA-N 1 0 222.288 1.008 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC000042342113 173303256 /nfs/dbraw/zinc/30/32/56/173303256.db2.gz FTOPBNASTOOWHK-JTQLQIEISA-N 1 0 236.315 1.228 20 10 BDCDRO C[NH2+]CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171597 173330069 /nfs/dbraw/zinc/33/00/69/173330069.db2.gz GBABAMSCOPOBDW-UHFFFAOYSA-N 1 0 247.342 1.122 20 10 BDCDRO COCCC[NH2+]Cc1cc(F)ccc1O ZINC000083347384 174247178 /nfs/dbraw/zinc/24/71/78/174247178.db2.gz XHMUTIXIZGMASG-UHFFFAOYSA-N 1 0 213.252 1.657 20 10 BDCDRO COCC[NH2+][C@H](C)c1cc(F)ccc1O ZINC000087111306 174339546 /nfs/dbraw/zinc/33/95/46/174339546.db2.gz YKDWRNBLDPUVGG-MRVPVSSYSA-N 1 0 213.252 1.828 20 10 BDCDRO COc1ccc(C[NH2+][C@H](C)CO)cc1C ZINC000037258696 175111611 /nfs/dbraw/zinc/11/16/11/175111611.db2.gz HIHHVUZEXSXNQO-SNVBAGLBSA-N 1 0 209.289 1.474 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000180634268 175157966 /nfs/dbraw/zinc/15/79/66/175157966.db2.gz IOLBFYOOOUCRDW-ZDUSSCGKSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cn[nH]c2)c1 ZINC000038005974 175158978 /nfs/dbraw/zinc/15/89/78/175158978.db2.gz JTYVPWZKQCWLSE-UHFFFAOYSA-N 1 0 233.271 1.414 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@H]2C)c1 ZINC000134236758 175158980 /nfs/dbraw/zinc/15/89/80/175158980.db2.gz MKZPQFMIXJHXTD-CABZTGNLSA-N 1 0 237.299 1.668 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)c2cn[nH]c2)c1 ZINC000224935460 175158982 /nfs/dbraw/zinc/15/89/82/175158982.db2.gz AVERPQRYTUTPMX-SECBINFHSA-N 1 0 247.298 1.975 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCO)c1 ZINC000132517190 175158984 /nfs/dbraw/zinc/15/89/84/175158984.db2.gz SNCVBTVCDSRCNY-SECBINFHSA-N 1 0 225.288 1.261 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CCO[C@@H]2C)c1 ZINC000134236741 175159105 /nfs/dbraw/zinc/15/91/05/175159105.db2.gz MKZPQFMIXJHXTD-SKDRFNHKSA-N 1 0 237.299 1.668 20 10 BDCDRO COc1cccc(C[N@@H+](C)C[C@H](C)OC)c1O ZINC000289211768 175254958 /nfs/dbraw/zinc/25/49/58/175254958.db2.gz CAFOEZPRYOJURK-JTQLQIEISA-N 1 0 239.315 1.868 20 10 BDCDRO COc1cccc(CN2CCC[NH2+]CC2)c1O ZINC000038086963 175258726 /nfs/dbraw/zinc/25/87/26/175258726.db2.gz KQBHGZHAWVTRHV-UHFFFAOYSA-N 1 0 236.315 1.196 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H]2CCOC2)c1O ZINC000037738183 175264623 /nfs/dbraw/zinc/26/46/23/175264623.db2.gz BXLPZQVJIQYZBW-JTQLQIEISA-N 1 0 237.299 1.527 20 10 BDCDRO C[C@@H]1CN(Cc2cc(Cl)ccc2O)CC[NH2+]1 ZINC000083368862 176302213 /nfs/dbraw/zinc/30/22/13/176302213.db2.gz NMMDMEAHCWQPCY-SECBINFHSA-N 1 0 240.734 1.839 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000132475033 176307976 /nfs/dbraw/zinc/30/79/76/176307976.db2.gz BYDJSZQDXJOBQO-SNVBAGLBSA-N 1 0 207.273 1.613 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000193545413 176459281 /nfs/dbraw/zinc/45/92/81/176459281.db2.gz GZDWSNYHEZAOME-GXFFZTMASA-N 1 0 247.342 1.068 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000156759316 176574298 /nfs/dbraw/zinc/57/42/98/176574298.db2.gz XSTOFIDUSPSWHN-WDEREUQCSA-N 1 0 249.358 1.352 20 10 BDCDRO C[C@H](CO)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000088195048 176693302 /nfs/dbraw/zinc/69/33/02/176693302.db2.gz NAGJLYSHLZJTTM-NSHDSACASA-N 1 0 222.332 1.471 20 10 BDCDRO C[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296196307 176706700 /nfs/dbraw/zinc/70/67/00/176706700.db2.gz YTMGUYXZDVLFDU-PSASIEDQSA-N 1 0 207.273 1.350 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000156759590 176769301 /nfs/dbraw/zinc/76/93/01/176769301.db2.gz XSTOFIDUSPSWHN-QWRGUYRKSA-N 1 0 249.358 1.352 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccc(N)cc2)CCO1 ZINC000022145278 177263028 /nfs/dbraw/zinc/26/30/28/177263028.db2.gz KDMDLLJWRQXWLR-JTQLQIEISA-N 1 0 206.289 1.490 20 10 BDCDRO C[C@H]1COCC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000369451439 177288309 /nfs/dbraw/zinc/28/83/09/177288309.db2.gz JNLNVPMNQUVDPZ-SNVBAGLBSA-N 1 0 239.290 2.000 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CCCN2C)cc1 ZINC000221162815 490151620 /nfs/dbraw/zinc/15/16/20/490151620.db2.gz USGLSNQBJOSJRG-OAHLLOKOSA-N 1 0 247.386 1.936 20 10 BDCDRO COCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892429897 582885862 /nfs/dbraw/zinc/88/58/62/582885862.db2.gz UGBGLKAYLYUPJX-UHFFFAOYSA-N 1 0 241.287 1.145 20 10 BDCDRO CON(C)CC[NH2+][C@H](C)c1ccc(C)cc1O ZINC000850479391 582919487 /nfs/dbraw/zinc/91/94/87/582919487.db2.gz RPSRCEUTAPKAGV-LLVKDONJSA-N 1 0 238.331 1.844 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](N)C2)c1 ZINC000853248056 588728804 /nfs/dbraw/zinc/72/88/04/588728804.db2.gz KWDVYIWAQSGXKA-VXGBXAGGSA-N 1 0 238.306 1.572 20 10 BDCDRO CC[NH2+]CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000891997114 582757325 /nfs/dbraw/zinc/75/73/25/582757325.db2.gz TVZRUDZFPZZXQL-UHFFFAOYSA-N 1 0 249.314 1.027 20 10 BDCDRO CCOc1ccc(C[NH2+][C@@H](C)COC)c(O)c1 ZINC000725844029 582898106 /nfs/dbraw/zinc/89/81/06/582898106.db2.gz JYACYNASOVQBMK-JTQLQIEISA-N 1 0 239.315 1.915 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@H](CF)C2)c1 ZINC000840955384 583183341 /nfs/dbraw/zinc/18/33/41/583183341.db2.gz UMIOPGPGQMNWBF-GFCCVEGCSA-N 1 0 239.290 1.871 20 10 BDCDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1Cc1ccccc1O ZINC000840979170 583214361 /nfs/dbraw/zinc/21/43/61/583214361.db2.gz RXQNGRDCNFIACW-YPMHNXCESA-N 1 0 235.327 1.985 20 10 BDCDRO Cc1nnc([C@@H](C)[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000894779233 583519997 /nfs/dbraw/zinc/51/99/97/583519997.db2.gz XGVDRMGAABLHNE-SECBINFHSA-N 1 0 246.314 1.978 20 10 BDCDRO c1cc(C[NH2+]C[C@@H]2COCO2)cc2c1OCC2 ZINC000894870550 583539515 /nfs/dbraw/zinc/53/95/15/583539515.db2.gz LXFSKMSYCSIOQG-GFCCVEGCSA-N 1 0 235.283 1.084 20 10 BDCDRO OCC[N@@H+](Cc1ccccc1O)CC1CC1 ZINC000128551093 583548609 /nfs/dbraw/zinc/54/86/09/583548609.db2.gz MZXZANILEJNQDJ-UHFFFAOYSA-N 1 0 221.300 1.597 20 10 BDCDRO CC1=NO[C@@H](C[NH2+]Cc2cccc(C)c2O)C1 ZINC000895307066 583647771 /nfs/dbraw/zinc/64/77/71/583647771.db2.gz NYODNHDQYHYELB-GFCCVEGCSA-N 1 0 234.299 1.955 20 10 BDCDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895647350 583699306 /nfs/dbraw/zinc/69/93/06/583699306.db2.gz KMJFXLOJHSACFK-PRHODGIISA-N 1 0 239.702 1.612 20 10 BDCDRO COc1cc(C)cc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895644903 583700623 /nfs/dbraw/zinc/70/06/23/583700623.db2.gz HYCDUDATDGTORF-FZMZJTMJSA-N 1 0 249.310 1.276 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895655202 583701109 /nfs/dbraw/zinc/70/11/09/583701109.db2.gz UYCMPVIYGBNEDV-JSGCOSHPSA-N 1 0 233.311 1.521 20 10 BDCDRO Nc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000143358990 583913459 /nfs/dbraw/zinc/91/34/59/583913459.db2.gz KQIWJRSJNXKRKT-UHFFFAOYSA-N 1 0 219.288 1.207 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H]1C[C@H](CO)C1 ZINC000897355594 583931171 /nfs/dbraw/zinc/93/11/71/583931171.db2.gz XMYQZWSLTQVZDX-MQMHXKEQSA-N 1 0 248.370 1.922 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1O ZINC000897683791 584040313 /nfs/dbraw/zinc/04/03/13/584040313.db2.gz GXIMLUQHBPNXFB-KOLCDFICSA-N 1 0 237.299 1.213 20 10 BDCDRO COc1ccc(C[NH2+][C@@]2(C)CCNC2=O)cc1C ZINC000897873901 584056511 /nfs/dbraw/zinc/05/65/11/584056511.db2.gz ROAYHSHCHCQDFL-AWEZNQCLSA-N 1 0 248.326 1.372 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CC[C@H](O)C1CC1 ZINC000898198238 584098206 /nfs/dbraw/zinc/09/82/06/584098206.db2.gz OZBMFTIOWMKYOF-ZDUSSCGKSA-N 1 0 235.327 1.951 20 10 BDCDRO CC1(C)C[NH2+]C[C@@H]1N[C@@H]1CCc2cccc(O)c21 ZINC000902446232 584594223 /nfs/dbraw/zinc/59/42/23/584594223.db2.gz SSAZZMAUXADVQM-YPMHNXCESA-N 1 0 246.354 1.967 20 10 BDCDRO Oc1cccc2c1[C@@H](N[C@@H]1C[C@H]3CC[C@@H]1[NH2+]3)CC2 ZINC000902464255 584612973 /nfs/dbraw/zinc/61/29/73/584612973.db2.gz BDSZAGCCZUPYDC-MROQNXINSA-N 1 0 244.338 1.862 20 10 BDCDRO COc1ccc(CN[C@@H]2C[NH2+]C[C@H]2C)cc1C ZINC000903960576 584828282 /nfs/dbraw/zinc/82/82/82/584828282.db2.gz PHGZSLGWKXESSF-DGCLKSJQSA-N 1 0 234.343 1.701 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@@H]1CNOC1 ZINC000904424128 584881009 /nfs/dbraw/zinc/88/10/09/584881009.db2.gz NAMXRWWDRHVLNA-GFCCVEGCSA-N 1 0 235.331 1.054 20 10 BDCDRO Cc1cc(Cl)cc(C[NH2+]C/C=C/CO)c1O ZINC000826936599 584896449 /nfs/dbraw/zinc/89/64/49/584896449.db2.gz ACEMUXPTACNZJM-NSCUHMNNSA-N 1 0 241.718 1.992 20 10 BDCDRO CC(C)[N@H+](C)CCNC(=O)C1=CC(=O)CS1 ZINC000732281866 584936047 /nfs/dbraw/zinc/93/60/47/584936047.db2.gz DIUSWOFFFFEXRW-UHFFFAOYSA-N 1 0 242.344 1.524 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000734161567 584959138 /nfs/dbraw/zinc/95/91/38/584959138.db2.gz VSNZFTDNTAXVME-AWEZNQCLSA-N 1 0 234.343 1.613 20 10 BDCDRO C[N@H+](Cc1ccccc1O)CC1(C)COC1 ZINC000744401640 585149880 /nfs/dbraw/zinc/14/98/80/585149880.db2.gz FRUSOTDWGWGTTP-UHFFFAOYSA-N 1 0 221.300 1.861 20 10 BDCDRO CCN(C)c1ccc(C[N@@H+]2C[C@H](C)[C@H](O)C2)cc1 ZINC000773819066 585644608 /nfs/dbraw/zinc/64/46/08/585644608.db2.gz OBLFKLCHNAKRMB-SWLSCSKDSA-N 1 0 248.370 1.955 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000783735430 585841352 /nfs/dbraw/zinc/84/13/52/585841352.db2.gz QEODIIAWHJBMJX-IINYFYTJSA-N 1 0 249.310 1.215 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000788270028 585920277 /nfs/dbraw/zinc/92/02/77/585920277.db2.gz OIUGDDMGNQZWJU-KCJUWKMLSA-N 1 0 225.263 1.486 20 10 BDCDRO CCOc1ccc(C[N@H+](C)[C@H](C)CO)c(O)c1 ZINC000809746746 586517113 /nfs/dbraw/zinc/51/71/13/586517113.db2.gz ZZPIJSBDXLWBIM-SNVBAGLBSA-N 1 0 239.315 1.604 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](C)C[C@H](O)C2CC2)c1 ZINC000809751775 586517443 /nfs/dbraw/zinc/51/74/43/586517443.db2.gz KGFPMAQVECMUKO-AWEZNQCLSA-N 1 0 235.327 1.903 20 10 BDCDRO CN1C[C@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000814172863 586615481 /nfs/dbraw/zinc/61/54/81/586615481.db2.gz BXRBGQLEWYADTF-DGCLKSJQSA-N 1 0 232.327 1.528 20 10 BDCDRO CCN(C)c1ccc(C[N@H+](C)[C@H](C)CO)cc1 ZINC000815114096 586667322 /nfs/dbraw/zinc/66/73/22/586667322.db2.gz ORPIVNCWNYVVCN-GFCCVEGCSA-N 1 0 236.359 1.955 20 10 BDCDRO C[NH2+]CCN[C@@H](C)c1cc(Cl)ccc1O ZINC000817952805 586848910 /nfs/dbraw/zinc/84/89/10/586848910.db2.gz SUTBVAQUTIFAGP-QMMMGPOBSA-N 1 0 228.723 1.916 20 10 BDCDRO C[C@H]1CN(C)C[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817955710 586849836 /nfs/dbraw/zinc/84/98/36/586849836.db2.gz FVJZTQWWVDJCDW-FZMZJTMJSA-N 1 0 233.359 1.351 20 10 BDCDRO C[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)cc(F)c1[O-] ZINC000817964891 586854357 /nfs/dbraw/zinc/85/43/57/586854357.db2.gz IPPLOYFJABWOTR-SSDOTTSWSA-N 1 0 242.269 1.540 20 10 BDCDRO C[C@@H]([NH3+])CN[C@@H](C)c1cc(F)ccc1O ZINC000817972762 586859244 /nfs/dbraw/zinc/85/92/44/586859244.db2.gz OIOFJEYESTZWBM-SFYZADRCSA-N 1 0 212.268 1.529 20 10 BDCDRO CC(C)[C@H](C(=O)Nc1ccc(N)cc1)[C@H](C)[NH3+] ZINC000818556217 586900347 /nfs/dbraw/zinc/90/03/47/586900347.db2.gz BLRQSZJEEZVFFG-CABZTGNLSA-N 1 0 235.331 1.827 20 10 BDCDRO C[C@@H]1C[C@H](O)C[N@H+](Cc2ccc(N(C)C)cc2)C1 ZINC000825312430 587314295 /nfs/dbraw/zinc/31/42/95/587314295.db2.gz SSSQVFRFYMATSD-DOMZBBRYSA-N 1 0 248.370 1.955 20 10 BDCDRO COc1cccc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000827579945 587389806 /nfs/dbraw/zinc/38/98/06/587389806.db2.gz MOIAUYWMGKSNME-SECBINFHSA-N 1 0 237.299 1.404 20 10 BDCDRO C[C@H](O)C1([NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000827579903 587390004 /nfs/dbraw/zinc/39/00/04/587390004.db2.gz LANARPURSWWWON-JTQLQIEISA-N 1 0 233.311 1.625 20 10 BDCDRO CCc1cccc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000827585512 587390179 /nfs/dbraw/zinc/39/01/79/587390179.db2.gz KOBHSTOCOLOSOM-SNVBAGLBSA-N 1 0 235.327 1.958 20 10 BDCDRO Cc1cccc(C[NH2+]C2([C@@H](C)O)CC2)c1O ZINC000827585747 587390568 /nfs/dbraw/zinc/39/05/68/587390568.db2.gz PIWFACRTXZLLHW-SNVBAGLBSA-N 1 0 221.300 1.704 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC(=O)[C@H]1CC[NH2+]1 ZINC000829763951 587514580 /nfs/dbraw/zinc/51/45/80/587514580.db2.gz DFPRYCRBLHCMMC-CYBMUJFWSA-N 1 0 247.342 1.039 20 10 BDCDRO CC(C)([NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000832659265 587675213 /nfs/dbraw/zinc/67/52/13/587675213.db2.gz XEJBSVYMJIJKND-UHFFFAOYSA-N 1 0 235.331 1.055 20 10 BDCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000834598282 587760345 /nfs/dbraw/zinc/76/03/45/587760345.db2.gz AWRKAKSVCZUXQR-CHWSQXEVSA-N 1 0 247.342 1.197 20 10 BDCDRO Nc1ccc(CC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000834598283 587760436 /nfs/dbraw/zinc/76/04/36/587760436.db2.gz AWRKAKSVCZUXQR-OLZOCXBDSA-N 1 0 247.342 1.197 20 10 BDCDRO Nc1ccc(CC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000834860623 587768741 /nfs/dbraw/zinc/76/87/41/587768741.db2.gz CKRAUQBJEQKKQX-DGCLKSJQSA-N 1 0 247.342 1.055 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](C)CO ZINC000840930585 587930697 /nfs/dbraw/zinc/93/06/97/587930697.db2.gz LYXJFGLDOBQEJE-LLVKDONJSA-N 1 0 222.332 1.531 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cccc(F)c1O ZINC000841023791 587935596 /nfs/dbraw/zinc/93/55/96/587935596.db2.gz FVOBREODOTYWMM-LDYMZIIASA-N 1 0 224.279 1.453 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H](CN)C2CC2)cc1C ZINC000841027657 587936301 /nfs/dbraw/zinc/93/63/01/587936301.db2.gz DTYZWRVHVPQZRY-CYBMUJFWSA-N 1 0 234.343 1.836 20 10 BDCDRO COc1cccc(O)c1CNCC(C)(C)[NH3+] ZINC000841031708 587937048 /nfs/dbraw/zinc/93/70/48/587937048.db2.gz ZJAAFBWGMUCVJV-UHFFFAOYSA-N 1 0 224.304 1.228 20 10 BDCDRO Oc1cccc(Cl)c1CNC[C@@H]1CCC[NH2+]1 ZINC000841035685 587937943 /nfs/dbraw/zinc/93/79/43/587937943.db2.gz JSOXUVIJGJNIHX-VIFPVBQESA-N 1 0 240.734 1.887 20 10 BDCDRO C[C@H](C[NH3+])C[NH2+]Cc1c([O-])ccc(Cl)c1F ZINC000841047694 587939180 /nfs/dbraw/zinc/93/91/80/587939180.db2.gz BSZSBOUZVIFEHL-SSDOTTSWSA-N 1 0 246.713 1.869 20 10 BDCDRO CCC[NH2+]CCNCc1cc(F)ccc1O ZINC000841046567 587939478 /nfs/dbraw/zinc/93/94/78/587939478.db2.gz HKTVHHXYZANDFO-UHFFFAOYSA-N 1 0 226.295 1.621 20 10 BDCDRO C[C@@H](CC[NH3+])[NH2+]Cc1cccc(F)c1[O-] ZINC000841052275 587939790 /nfs/dbraw/zinc/93/97/90/587939790.db2.gz SQRXWZDGQZUXDI-QMMMGPOBSA-N 1 0 212.268 1.358 20 10 BDCDRO C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1[O-] ZINC000841062604 587941431 /nfs/dbraw/zinc/94/14/31/587941431.db2.gz AWKYRBZSGXDTNV-SKDRFNHKSA-N 1 0 238.306 1.619 20 10 BDCDRO C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2[O-])CC[NH2+]1 ZINC000841061167 587941981 /nfs/dbraw/zinc/94/19/81/587941981.db2.gz FRFTWNBXPGAIAV-ONGXEEELSA-N 1 0 238.306 1.761 20 10 BDCDRO C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(N)cc2)C1 ZINC000841846294 587977128 /nfs/dbraw/zinc/97/71/28/587977128.db2.gz OYXOIHZAAPBHGV-CABZTGNLSA-N 1 0 233.315 1.595 20 10 BDCDRO C[C@H]1C[NH2+]CCN1Cc1cccc(F)c1O ZINC000843046874 588075198 /nfs/dbraw/zinc/07/51/98/588075198.db2.gz CUMYLOWIZDPXHQ-VIFPVBQESA-N 1 0 224.279 1.325 20 10 BDCDRO [NH3+][C@H]1CCCN(Cc2cccc(F)c2O)C1 ZINC000843043697 588075363 /nfs/dbraw/zinc/07/53/63/588075363.db2.gz DCFGRELQECGGIA-JTQLQIEISA-N 1 0 224.279 1.454 20 10 BDCDRO COc1cccc(O)c1CN1CCC[C@H]([NH3+])C1 ZINC000843043830 588075756 /nfs/dbraw/zinc/07/57/56/588075756.db2.gz JPZHSFXFFDEUHK-JTQLQIEISA-N 1 0 236.315 1.324 20 10 BDCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@@H]2C)cc1C ZINC000843047843 588075819 /nfs/dbraw/zinc/07/58/19/588075819.db2.gz YLUNOWCAHNRCLW-LBPRGKRZSA-N 1 0 234.343 1.803 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000843045467 588076118 /nfs/dbraw/zinc/07/61/18/588076118.db2.gz SHSZDWHBORMNLE-GFCCVEGCSA-N 1 0 220.316 1.494 20 10 BDCDRO C[NH2+][C@H]1CCN(Cc2cccc(C)c2O)C1 ZINC000843045468 588076407 /nfs/dbraw/zinc/07/64/07/588076407.db2.gz SHSZDWHBORMNLE-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO C[C@H]1[NH2+]CCN(Cc2cccc(F)c2O)[C@H]1C ZINC000843057229 588077564 /nfs/dbraw/zinc/07/75/64/588077564.db2.gz GXSVQLWCTJRGIF-ZJUUUORDSA-N 1 0 238.306 1.714 20 10 BDCDRO C[NH2+]C[C@H]1CCCN1Cc1cccc(F)c1O ZINC000843056157 588078014 /nfs/dbraw/zinc/07/80/14/588078014.db2.gz VTQXVSXKDPPXBG-LLVKDONJSA-N 1 0 238.306 1.715 20 10 BDCDRO C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000843058757 588078202 /nfs/dbraw/zinc/07/82/02/588078202.db2.gz XNTFKSGCMNVVJB-ZJUUUORDSA-N 1 0 238.306 1.700 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H](C)N1Cc1cccc(F)c1O ZINC000843065526 588078695 /nfs/dbraw/zinc/07/86/95/588078695.db2.gz MSHJILUOILFOKK-AOOOYVTPSA-N 1 0 238.306 1.714 20 10 BDCDRO Cc1cc(O)c(CN(C)C2C[NH2+]C2)cc1C ZINC000843124987 588083554 /nfs/dbraw/zinc/08/35/54/588083554.db2.gz UZCVHGZSHRGUSJ-UHFFFAOYSA-N 1 0 220.316 1.413 20 10 BDCDRO CN(C)c1ccc(/C=C/CN(C)C2C[NH2+]C2)cc1 ZINC000843125832 588084192 /nfs/dbraw/zinc/08/41/92/588084192.db2.gz ANGFOSQFVBACIN-SNAWJCMRSA-N 1 0 245.370 1.669 20 10 BDCDRO COC(=O)CC1([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000846026953 588253989 /nfs/dbraw/zinc/25/39/89/588253989.db2.gz JKGUZRMHSCTHAJ-UHFFFAOYSA-N 1 0 249.310 1.886 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@@H](C)CO)c1O ZINC000846148193 588258652 /nfs/dbraw/zinc/25/86/52/588258652.db2.gz OZECMJFTQYRFQV-IUCAKERBSA-N 1 0 225.288 1.432 20 10 BDCDRO Cc1cccc(CN2CC[NH2+]CC2)c1O ZINC000106886559 588314241 /nfs/dbraw/zinc/31/42/41/588314241.db2.gz NNLRLFCECBRPIT-UHFFFAOYSA-N 1 0 206.289 1.106 20 10 BDCDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(N(C)C)cc1C ZINC000848415406 588380836 /nfs/dbraw/zinc/38/08/36/588380836.db2.gz UETJJEVZMMYINS-NSHDSACASA-N 1 0 249.358 1.285 20 10 BDCDRO CCc1cccc(C[N@@H+]2CCC[C@H]2CO)c1O ZINC000848883086 588416917 /nfs/dbraw/zinc/41/69/17/588416917.db2.gz JAUQUCYTZBHTPT-ZDUSSCGKSA-N 1 0 235.327 1.911 20 10 BDCDRO Oc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000850113861 588520328 /nfs/dbraw/zinc/52/03/28/588520328.db2.gz XYGWEGRXLZVHGZ-UHFFFAOYSA-N 1 0 243.310 1.825 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+]C/C=C\CO)c1 ZINC000850357526 588538884 /nfs/dbraw/zinc/53/88/84/588538884.db2.gz MNURYDNZCLSPTH-ARJAWSKDSA-N 1 0 237.299 1.429 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]C/C=C/CO)c1O ZINC000850510218 588554801 /nfs/dbraw/zinc/55/48/01/588554801.db2.gz VZCLDENULHUBDD-HMDXOVGESA-N 1 0 237.299 1.600 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@H](O)C2)c1O ZINC000850578604 588561729 /nfs/dbraw/zinc/56/17/29/588561729.db2.gz LZMMZDFMZMCHJO-GUBZILKMSA-N 1 0 237.299 1.575 20 10 BDCDRO C[C@H]([NH2+]Cc1cn(C)cn1)c1ccccc1O ZINC000851895207 588641923 /nfs/dbraw/zinc/64/19/23/588641923.db2.gz CCGWRXPANCGYTC-JTQLQIEISA-N 1 0 231.299 1.977 20 10 BDCDRO CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000852789772 588702774 /nfs/dbraw/zinc/70/27/74/588702774.db2.gz FPNRUGQHEPBUJH-LLVKDONJSA-N 1 0 233.315 1.595 20 10 BDCDRO CCN(C(=O)C=C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000852896434 588711953 /nfs/dbraw/zinc/71/19/53/588711953.db2.gz AEWNPOPWGSSSEI-UHFFFAOYSA-N 1 0 248.330 1.083 20 10 BDCDRO OCC1(C[NH2+]Cc2c(O)cccc2Cl)CC1 ZINC000118907028 589204549 /nfs/dbraw/zinc/20/45/49/589204549.db2.gz NNPKTUJVDOFIBT-UHFFFAOYSA-N 1 0 241.718 1.908 20 10 BDCDRO Cc1ccc(O)c(CNC(=O)[C@@H]2CC[N@@H+](C)C2)c1 ZINC000862756307 589237535 /nfs/dbraw/zinc/23/75/35/589237535.db2.gz VOIMTTYOYIFHHE-LLVKDONJSA-N 1 0 248.326 1.269 20 10 BDCDRO COc1cccc(O)c1CN(C)C[C@H](C)[NH3+] ZINC000863653175 589307613 /nfs/dbraw/zinc/30/76/13/589307613.db2.gz DRMROXVRCXSLAD-VIFPVBQESA-N 1 0 224.304 1.180 20 10 BDCDRO COc1cccc(O)c1CN(C)C[C@@H](C)[NH3+] ZINC000863653174 589307991 /nfs/dbraw/zinc/30/79/91/589307991.db2.gz DRMROXVRCXSLAD-SECBINFHSA-N 1 0 224.304 1.180 20 10 BDCDRO [NH2+]=C(NCCC1CC1)NCc1ccccc1O ZINC000864452466 589365305 /nfs/dbraw/zinc/36/53/05/589365305.db2.gz GYBQISACVCFGFI-UHFFFAOYSA-N 1 0 233.315 1.806 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC2(CO)CC2)c1 ZINC000122350335 589582638 /nfs/dbraw/zinc/58/26/38/589582638.db2.gz JEUVDWTUOZXYBW-UHFFFAOYSA-N 1 0 237.299 1.263 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1O ZINC000870987735 589706844 /nfs/dbraw/zinc/70/68/44/589706844.db2.gz CAATWVJZYIMGHD-KOLCDFICSA-N 1 0 234.299 1.321 20 10 BDCDRO C[C@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1ccccc1O ZINC000870988030 589706937 /nfs/dbraw/zinc/70/69/37/589706937.db2.gz DNYXHLDNZJFTSV-JOYOIKCWSA-N 1 0 248.326 1.567 20 10 BDCDRO C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1ccccc1O ZINC000870988331 589707046 /nfs/dbraw/zinc/70/70/46/589707046.db2.gz MTASIQKVRWDBFL-JBLDHEPKSA-N 1 0 248.326 1.567 20 10 BDCDRO CC(C)[N@H+](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871201726 589744493 /nfs/dbraw/zinc/74/44/93/589744493.db2.gz ZVEURDRBGJFPLZ-UHFFFAOYSA-N 1 0 248.326 1.575 20 10 BDCDRO Nc1ccc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876504047 590204005 /nfs/dbraw/zinc/20/40/05/590204005.db2.gz ILRAFXKDDUKUPA-GZMMTYOYSA-N 1 0 237.278 1.155 20 10 BDCDRO CCOC(=O)CN(C)Cc1c(C)cccc1O ZINC000876566035 590216982 /nfs/dbraw/zinc/21/69/82/590216982.db2.gz WCAJOCWXFYTWPL-UHFFFAOYSA-N 1 0 237.299 1.696 20 10 BDCDRO CO[C@@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876751326 590238073 /nfs/dbraw/zinc/23/80/73/590238073.db2.gz VYASDDOZUUDIRU-GFCCVEGCSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]Cc1nncn1C ZINC000876929554 590258331 /nfs/dbraw/zinc/25/83/31/590258331.db2.gz KDXLRCRQSQJYRH-UHFFFAOYSA-N 1 0 232.287 1.119 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H](O)C(C)C)c(O)c1 ZINC000877037623 590272472 /nfs/dbraw/zinc/27/24/72/590272472.db2.gz SZGFBRNBDBUHOM-ZDUSSCGKSA-N 1 0 223.316 1.807 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](CO)C2CC2)c(O)c1 ZINC000877045539 590274086 /nfs/dbraw/zinc/27/40/86/590274086.db2.gz XWRNEMMBAPFGGD-GFCCVEGCSA-N 1 0 221.300 1.561 20 10 BDCDRO C[C@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)C[NH2+]1 ZINC000877047526 590274491 /nfs/dbraw/zinc/27/44/91/590274491.db2.gz BQELDEOUYDMGSA-GWCFXTLKSA-N 1 0 247.342 1.068 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H](C)[C@H](C)CO ZINC000877058266 590275561 /nfs/dbraw/zinc/27/55/61/590275561.db2.gz WYBZCVAKMUFUIS-MNOVXSKESA-N 1 0 223.316 1.807 20 10 BDCDRO CC[C@@]1(C(=O)N(C)c2ccc(N)cc2)CCC[NH2+]1 ZINC000877077366 590278656 /nfs/dbraw/zinc/27/86/56/590278656.db2.gz FTQPZZZACYYVAP-AWEZNQCLSA-N 1 0 247.342 1.764 20 10 BDCDRO CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(N)cc1 ZINC000877076607 590278684 /nfs/dbraw/zinc/27/86/84/590278684.db2.gz OHMSKTCZYITFOM-NWDGAFQWSA-N 1 0 247.342 1.605 20 10 BDCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)c1ccc(N)cc1 ZINC000877077502 590279029 /nfs/dbraw/zinc/27/90/29/590279029.db2.gz KXFKDULTSBYITR-BXKDBHETSA-N 1 0 233.315 1.230 20 10 BDCDRO CN(C(=O)[C@@]1(C)CC[NH2+]C1)c1ccc(N)cc1 ZINC000877079016 590279435 /nfs/dbraw/zinc/27/94/35/590279435.db2.gz NVEXKBOHNDVLBS-ZDUSSCGKSA-N 1 0 233.315 1.231 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)CC(N)=O)c(O)c1 ZINC000877095218 590281854 /nfs/dbraw/zinc/28/18/54/590281854.db2.gz PTJQIJIKDYGSPS-VIFPVBQESA-N 1 0 222.288 1.054 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877141573 590291498 /nfs/dbraw/zinc/29/14/98/590291498.db2.gz AGVXUXTVNBZYSM-SNVBAGLBSA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1ccc(C[NH2+]Cc2cn(C)nn2)c(O)c1 ZINC000877194455 590299420 /nfs/dbraw/zinc/29/94/20/590299420.db2.gz NEDZDCIPLCMURC-UHFFFAOYSA-N 1 0 232.287 1.119 20 10 BDCDRO Cc1ccc(C[NH2+]CC2(CCO)CC2)c(O)c1 ZINC000877441487 590328226 /nfs/dbraw/zinc/32/82/26/590328226.db2.gz BSAZGPMMMNHHLA-UHFFFAOYSA-N 1 0 235.327 1.953 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000877463040 590332653 /nfs/dbraw/zinc/33/26/53/590332653.db2.gz YYMQTQMLMWKSTD-SMDDNHRTSA-N 1 0 233.311 1.515 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC(=O)N(C)[C@H](C)C1 ZINC000877500838 590341077 /nfs/dbraw/zinc/34/10/77/590341077.db2.gz DTBBWEZTYAFJQM-LLVKDONJSA-N 1 0 248.326 1.363 20 10 BDCDRO CC[N@H+](Cc1ccc(C)cc1O)[C@H]1CCNC1=O ZINC000877499168 590341169 /nfs/dbraw/zinc/34/11/69/590341169.db2.gz LZWBQOKAHWYDSC-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[NH2+]CC(=O)NC2CC2)c(O)c1 ZINC000877530973 590349429 /nfs/dbraw/zinc/34/94/29/590349429.db2.gz HCOHDWXXYOESHU-UHFFFAOYSA-N 1 0 234.299 1.069 20 10 BDCDRO CC[N@H+](Cc1ccc(C)cc1O)[C@H](C)CO ZINC000877543262 590352106 /nfs/dbraw/zinc/35/21/06/590352106.db2.gz BCTQZMQQJWBDIN-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO CCc1nnc(C[NH2+]Cc2ccc(C)cc2O)[nH]1 ZINC000877555048 590356621 /nfs/dbraw/zinc/35/66/21/590356621.db2.gz SFWJTJWWEUEESS-UHFFFAOYSA-N 1 0 246.314 1.671 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@@H](O)C2)c(O)c1 ZINC000877574759 590363294 /nfs/dbraw/zinc/36/32/94/590363294.db2.gz UNTZDYDLEIHMLN-PHIMTYICSA-N 1 0 207.273 1.314 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@H]1CCCNC1=O ZINC000877586357 590368046 /nfs/dbraw/zinc/36/80/46/590368046.db2.gz BNJGKXWOYARNTA-LLVKDONJSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C1CSC1 ZINC000877633940 590378932 /nfs/dbraw/zinc/37/89/32/590378932.db2.gz AUCRHOWZCGBAIW-UHFFFAOYSA-N 1 0 209.314 1.906 20 10 BDCDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2O)C1 ZINC000877634894 590379449 /nfs/dbraw/zinc/37/94/49/590379449.db2.gz ZDXWIDDVYLSMPM-TXEJJXNPSA-N 1 0 249.310 1.742 20 10 BDCDRO CCOc1cccc(C[NH2+]C2(C)COC2)c1O ZINC000877691221 590392838 /nfs/dbraw/zinc/39/28/38/590392838.db2.gz LHPIQRVDRNKNBW-UHFFFAOYSA-N 1 0 237.299 1.669 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C2(C)COC2)c1 ZINC000877691930 590392959 /nfs/dbraw/zinc/39/29/59/590392959.db2.gz XRFYHIPDWOFOQG-UHFFFAOYSA-N 1 0 223.272 1.279 20 10 BDCDRO C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1O ZINC000126769969 590441446 /nfs/dbraw/zinc/44/14/46/590441446.db2.gz DGUZVOCCOSGBTH-WDEREUQCSA-N 1 0 220.316 1.561 20 10 BDCDRO Oc1ccccc1CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000132222051 591694124 /nfs/dbraw/zinc/69/41/24/591694124.db2.gz RRIDUCTXKCYAPD-OLZOCXBDSA-N 1 0 232.327 1.719 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1O ZINC000134812040 591952245 /nfs/dbraw/zinc/95/22/45/591952245.db2.gz GJRWTRFGDASHGU-GAFUQQFSSA-N 1 0 221.300 1.956 20 10 BDCDRO CC[C@H]([NH2+][C@@H](C)CC(N)=O)c1ccccc1O ZINC000136100932 592093681 /nfs/dbraw/zinc/09/36/81/592093681.db2.gz XFJLXWAYNKYDFC-ONGXEEELSA-N 1 0 236.315 1.697 20 10 BDCDRO COc1cccc(C[NH2+]C2CC(OC)C2)c1O ZINC000230690753 635492524 /nfs/dbraw/zinc/49/25/24/635492524.db2.gz YPJZDRRQEHIEJQ-UHFFFAOYSA-N 1 0 237.299 1.668 20 10 BDCDRO COC(OC)[C@H](C)[NH2+]Cc1cc(F)ccc1O ZINC000234595465 635556326 /nfs/dbraw/zinc/55/63/26/635556326.db2.gz BUCVCTXRQDUVAL-QMMMGPOBSA-N 1 0 243.278 1.628 20 10 BDCDRO COc1cccc(C[NH2+]CC[C@@H](C)O)c1O ZINC000078780551 631349551 /nfs/dbraw/zinc/34/95/51/631349551.db2.gz UYLNFNWRLJYAID-SECBINFHSA-N 1 0 225.288 1.261 20 10 BDCDRO CC[N@H+](C)Cc1ccc(OC)c(OC)c1O ZINC000891571745 631393271 /nfs/dbraw/zinc/39/32/71/631393271.db2.gz DGTRZDDXCIDHIV-UHFFFAOYSA-N 1 0 225.288 1.861 20 10 BDCDRO C[C@H](CCO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000096811529 635635100 /nfs/dbraw/zinc/63/51/00/635635100.db2.gz OGKFCMMMGFYFLI-LLVKDONJSA-N 1 0 222.332 1.613 20 10 BDCDRO C[NH2+]CCCN(C)c1ccc(OC)cc1 ZINC000049971128 631921889 /nfs/dbraw/zinc/92/18/89/631921889.db2.gz JDYSYBCAEUFTHC-UHFFFAOYSA-N 1 0 208.305 1.741 20 10 BDCDRO CC[C@@H]([NH2+][C@@H](C)CC(N)=O)c1ccccc1O ZINC000136100976 632542119 /nfs/dbraw/zinc/54/21/19/632542119.db2.gz XFJLXWAYNKYDFC-GXSJLCMTSA-N 1 0 236.315 1.697 20 10 BDCDRO C[C@@H](O)[C@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000309956559 632686620 /nfs/dbraw/zinc/68/66/20/632686620.db2.gz IPIMTQCXEMDFHY-WDEREUQCSA-N 1 0 222.332 1.612 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2COCCOC2)c1 ZINC000310461850 632745116 /nfs/dbraw/zinc/74/51/16/632745116.db2.gz FLXSYYPLHZEMJX-UHFFFAOYSA-N 1 0 237.299 1.206 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCN(C)C2)c1O ZINC000162861243 633039268 /nfs/dbraw/zinc/03/92/68/633039268.db2.gz WYNCNXVRGLCSOM-LBPRGKRZSA-N 1 0 220.316 1.494 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)C[C@@H](C)O)c1O ZINC000164591390 633079558 /nfs/dbraw/zinc/07/95/58/633079558.db2.gz AQYRANUDWXQLOD-GHMZBOCLSA-N 1 0 223.316 1.950 20 10 BDCDRO CC(C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000167879079 633133778 /nfs/dbraw/zinc/13/37/78/633133778.db2.gz MASLDVGJXUUWIF-SNVBAGLBSA-N 1 0 236.315 1.395 20 10 BDCDRO OC[C@@]12C[C@@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000783737989 633161294 /nfs/dbraw/zinc/16/12/94/633161294.db2.gz ASOILFOSERJYIN-MFKMUULPSA-N 1 0 237.274 1.346 20 10 BDCDRO C[NH2+]C1CCN(Cc2ccc(N(C)C)cc2)CC1 ZINC000142264709 636111320 /nfs/dbraw/zinc/11/13/20/636111320.db2.gz RFCAZRKQWQBERH-UHFFFAOYSA-N 1 0 247.386 1.936 20 10 BDCDRO COc1ccc(C[NH2+][C@H](C)[C@@H](C)O)cc1C ZINC000309936000 633961772 /nfs/dbraw/zinc/96/17/72/633961772.db2.gz ZUSGYLOKECPAIM-GHMZBOCLSA-N 1 0 223.316 1.863 20 10 BDCDRO CC1(C)[NH2+]CC[C@H]1NCCc1ccc(N)cc1 ZINC000925691694 634320689 /nfs/dbraw/zinc/32/06/89/634320689.db2.gz JTSGSAVAYOCCAL-CYBMUJFWSA-N 1 0 233.359 1.541 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+][C@@H]2CNOC2)c(O)c1 ZINC000925862609 635560943 /nfs/dbraw/zinc/56/09/43/635560943.db2.gz VXHUSCCRAOVAFK-NXEZZACHSA-N 1 0 222.288 1.255 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@H]2CNOC2)c(O)c1 ZINC000925870311 635583274 /nfs/dbraw/zinc/58/32/74/635583274.db2.gz VXHUSCCRAOVAFK-UWVGGRQHSA-N 1 0 222.288 1.255 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CO)C2)c1 ZINC000305205684 636324968 /nfs/dbraw/zinc/32/49/68/636324968.db2.gz ODXCSSBRXNCKBN-GFCCVEGCSA-N 1 0 235.327 1.905 20 10 BDCDRO CC[C@H](COC)[NH2+]CCc1ccc(N)cc1 ZINC000841034583 636831852 /nfs/dbraw/zinc/83/18/52/636831852.db2.gz HXSGKCLZDYVNHO-CYBMUJFWSA-N 1 0 222.332 1.826 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CC23CC(O)C3)c(O)c1 ZINC000897841945 636836298 /nfs/dbraw/zinc/83/62/98/636836298.db2.gz RMPSGHCEYYWBAN-HRDQMINSSA-N 1 0 233.311 1.704 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035134261 636854946 /nfs/dbraw/zinc/85/49/46/636854946.db2.gz HOGDKJPXXKWUCV-LLVKDONJSA-N 1 0 249.358 1.367 20 10 BDCDRO CC[C@H]([NH2+]C[C@@H]1CCC(=O)N1)c1ccccc1O ZINC000079928562 636861802 /nfs/dbraw/zinc/86/18/02/636861802.db2.gz VTQOEWQEHIUIDB-JQWIXIFHSA-N 1 0 248.326 1.712 20 10 BDCDRO COc1ccc(O)c(CN2CCC[C@H]([NH3+])C2)c1 ZINC000041027944 636950882 /nfs/dbraw/zinc/95/08/82/636950882.db2.gz DFFHIAXTDUIVOQ-NSHDSACASA-N 1 0 236.315 1.324 20 10 BDCDRO Cc1cccc(C[NH2+]C2CC([NH3+])C2)c1O ZINC000906509558 638181588 /nfs/dbraw/zinc/18/15/88/638181588.db2.gz JFPYPOSWKUFDIP-UHFFFAOYSA-N 1 0 206.289 1.280 20 10 BDCDRO [NH3+]C1CC([NH2+]Cc2c([O-])ccc(Cl)c2F)C1 ZINC000906510588 638182966 /nfs/dbraw/zinc/18/29/66/638182966.db2.gz MNIOBRYYZLGTHE-UHFFFAOYSA-N 1 0 244.697 1.764 20 10 BDCDRO [NH3+]C1CC([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000906510760 638184728 /nfs/dbraw/zinc/18/47/28/638184728.db2.gz VQMUPZAJESZTTH-UHFFFAOYSA-N 1 0 210.252 1.111 20 10 BDCDRO CC[C@@H](C)C[C@@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000911660887 639693505 /nfs/dbraw/zinc/69/35/05/639693505.db2.gz NWISYQBOKOCACX-BXKDBHETSA-N 1 0 235.331 1.971 20 10 BDCDRO CNC(=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000044988443 640478847 /nfs/dbraw/zinc/47/88/47/640478847.db2.gz JVXRFAIYGQOQON-VIFPVBQESA-N 1 0 222.288 1.179 20 10 BDCDRO CC[C@H](CCO)[NH2+]Cc1cc(OC)ccc1O ZINC000164723388 640503205 /nfs/dbraw/zinc/50/32/05/640503205.db2.gz NGVHWCXBPSNJRQ-LLVKDONJSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H](Cn1ccnc1)[NH2+]Cc1cc(F)ccc1O ZINC000226584588 640779013 /nfs/dbraw/zinc/77/90/13/640779013.db2.gz YEMFFIMTIKENQZ-SNVBAGLBSA-N 1 0 249.289 1.906 20 10 BDCDRO C[C@H](C[C@H](C)O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000228074539 640859048 /nfs/dbraw/zinc/85/90/48/640859048.db2.gz OSKJWSZOUHNROG-MNOVXSKESA-N 1 0 235.327 1.871 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H](C)C[C@H](C)O)c1 ZINC000228086017 640859733 /nfs/dbraw/zinc/85/97/33/640859733.db2.gz ZFMRZCCVIVUSTI-UWVGGRQHSA-N 1 0 239.315 1.650 20 10 BDCDRO CC[C@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000229966365 641000755 /nfs/dbraw/zinc/00/07/55/641000755.db2.gz GZZXFXRHFIXTBU-ZDUSSCGKSA-N 1 0 222.332 1.613 20 10 BDCDRO COCC[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000062351278 641039960 /nfs/dbraw/zinc/03/99/60/641039960.db2.gz FADVVXYEEIZZOJ-UHFFFAOYSA-N 1 0 221.300 1.748 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC[C@@H]2CO)c1 ZINC000230681996 641081564 /nfs/dbraw/zinc/08/15/64/641081564.db2.gz CIDYJAXKFAANQV-DGCLKSJQSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(C[N@@H+](C)CC2(CO)CC2)c1O ZINC000188962179 641778359 /nfs/dbraw/zinc/77/83/59/641778359.db2.gz ZGAZVHXQRCLIQC-UHFFFAOYSA-N 1 0 235.327 1.905 20 10 BDCDRO COc1ccc(O)c(C[N@H+](CCO)C2CC2)c1 ZINC000305780348 642693795 /nfs/dbraw/zinc/69/37/95/642693795.db2.gz SUWPLWTUOAZEJX-UHFFFAOYSA-N 1 0 237.299 1.358 20 10 BDCDRO CNC(=O)CC[N@H+](C)Cc1cc(F)ccc1O ZINC000180065405 642769291 /nfs/dbraw/zinc/76/92/91/642769291.db2.gz MBUDOYQQTSYECH-UHFFFAOYSA-N 1 0 240.278 1.099 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2ncc[nH]2)c1 ZINC000080581906 642841473 /nfs/dbraw/zinc/84/14/73/642841473.db2.gz YTPLYKRLRTYERP-SECBINFHSA-N 1 0 247.298 1.975 20 10 BDCDRO C[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000082538506 643340937 /nfs/dbraw/zinc/34/09/37/643340937.db2.gz LUXUAIQORNEFKE-JTQLQIEISA-N 1 0 221.300 1.482 20 10 BDCDRO c1cc2c(cc1C[NH2+][C@H]1CCOC1)CCCO2 ZINC000921930976 643828965 /nfs/dbraw/zinc/82/89/65/643828965.db2.gz WXWQTNSJJMDTOF-ZDUSSCGKSA-N 1 0 233.311 1.890 20 10 BDCDRO CC(=O)c1cc(F)cc(Cn2ccnc2)c1O ZINC000079396634 644178204 /nfs/dbraw/zinc/17/82/04/644178204.db2.gz WKYGCGFTVWXZLV-UHFFFAOYSA-N 1 0 234.230 1.979 20 10 BDCDRO OC[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000923006879 644225781 /nfs/dbraw/zinc/22/57/81/644225781.db2.gz HASTWMPDKWMTNL-AULYBMBSSA-N 1 0 233.311 1.482 20 10 BDCDRO Cc1cc(CN(C)[C@@H]2CC[NH2+]C2)ccc1N(C)C ZINC000923288568 644322855 /nfs/dbraw/zinc/32/28/55/644322855.db2.gz XTLQIMBELRSTQA-CQSZACIVSA-N 1 0 247.386 1.855 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC[C@H](C)O)c1 ZINC000082992625 644397379 /nfs/dbraw/zinc/39/73/79/644397379.db2.gz VWPVXWQCCLLKNA-VIFPVBQESA-N 1 0 225.288 1.261 20 10 BDCDRO CCN(CC[NH3+])Cc1ccc(N(C)C)c(C)c1 ZINC000923398193 644405367 /nfs/dbraw/zinc/40/53/67/644405367.db2.gz IJGHDLLUNYZCDJ-UHFFFAOYSA-N 1 0 235.375 1.842 20 10 BDCDRO COc1ccc2c(c1)CCCN2CCC[NH3+] ZINC000084781428 644431994 /nfs/dbraw/zinc/43/19/94/644431994.db2.gz SWUQCIBTLQNRES-UHFFFAOYSA-N 1 0 220.316 1.797 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1CCOC1 ZINC000087784409 644503869 /nfs/dbraw/zinc/50/38/69/644503869.db2.gz NTBIMHREWYAGHS-JTQLQIEISA-N 1 0 227.691 1.924 20 10 BDCDRO CCN1CC[N@H+](Cc2ccccc2O)C[C@H]1C ZINC000250322180 644754933 /nfs/dbraw/zinc/75/49/33/644754933.db2.gz NHNRZMHLKUOKDS-GFCCVEGCSA-N 1 0 234.343 1.918 20 10 BDCDRO CN1CC(C[N@H+](C)Cc2ccccc2O)C1 ZINC000827126184 645074278 /nfs/dbraw/zinc/07/42/78/645074278.db2.gz XDAXHPQLSJIXRW-UHFFFAOYSA-N 1 0 220.316 1.386 20 10 BDCDRO CN(C)c1ccc(/C=C\C[NH2+]C2(CO)CC2)cc1 ZINC000835045082 645163392 /nfs/dbraw/zinc/16/33/92/645163392.db2.gz RVSMAAMRGMSINE-ARJAWSKDSA-N 1 0 246.354 1.880 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843390377 645289249 /nfs/dbraw/zinc/28/92/49/645289249.db2.gz PCRPNGTVZQCFKF-UTUOFQBUSA-N 1 0 246.310 1.101 20 10 BDCDRO CC[C@H]([NH2+]Cc1cc(F)ccc1O)[C@H](C)O ZINC000386728551 711649717 /nfs/dbraw/zinc/64/97/17/711649717.db2.gz ARUAUBDJMVGVLL-KWQFWETISA-N 1 0 227.279 1.780 20 10 BDCDRO CC[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823777 712764773 /nfs/dbraw/zinc/76/47/73/712764773.db2.gz MVFBZCMJGDJGAD-SNVBAGLBSA-N 1 0 222.288 1.088 20 10 BDCDRO Oc1ccccc1C[NH2+]CCCn1cncn1 ZINC000381751785 710700877 /nfs/dbraw/zinc/70/08/77/710700877.db2.gz DWTQGUYWPGGTBN-UHFFFAOYSA-N 1 0 232.287 1.164 20 10 BDCDRO C[NH2+]CCN(C)Cc1cccc(C)c1O ZINC000381857052 710757384 /nfs/dbraw/zinc/75/73/84/710757384.db2.gz VBQDRNYKYMWEGC-UHFFFAOYSA-N 1 0 208.305 1.352 20 10 BDCDRO COC[C@@](C)(O)C[NH2+]Cc1cccc(C)c1O ZINC000382551132 710972924 /nfs/dbraw/zinc/97/29/24/710972924.db2.gz HMJIGOARQUTUGC-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCc2cnccn2)c1 ZINC000389928770 711098782 /nfs/dbraw/zinc/09/87/82/711098782.db2.gz IHSZEDIHIXPPLO-UHFFFAOYSA-N 1 0 243.310 1.823 20 10 BDCDRO COCC1([NH2+]Cc2cc(C)ccc2O)CC1 ZINC000390454614 711118014 /nfs/dbraw/zinc/11/80/14/711118014.db2.gz BTJAOBIJWNOJMJ-UHFFFAOYSA-N 1 0 221.300 1.969 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccccc1O ZINC000396609274 711359958 /nfs/dbraw/zinc/35/99/58/711359958.db2.gz AVVDSZOTLKLNFT-JQWIXIFHSA-N 1 0 220.316 1.622 20 10 BDCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000398507959 711410766 /nfs/dbraw/zinc/41/07/66/711410766.db2.gz LBNMRCGMHIRSIT-GFCCVEGCSA-N 1 0 248.326 1.269 20 10 BDCDRO CNC(=O)[C@H]1CC[N@H+](Cc2cccc(C)c2O)C1 ZINC000398507960 711410798 /nfs/dbraw/zinc/41/07/98/711410798.db2.gz LBNMRCGMHIRSIT-LBPRGKRZSA-N 1 0 248.326 1.269 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1COCCO1)CC2 ZINC000386534198 711031769 /nfs/dbraw/zinc/03/17/69/711031769.db2.gz PRSZTEAAHPQUPJ-RYUDHWBXSA-N 1 0 249.310 1.385 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@H](C)O ZINC000395372181 711208183 /nfs/dbraw/zinc/20/81/83/711208183.db2.gz VAVRPNFYCPEUKL-ONGXEEELSA-N 1 0 209.289 1.641 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000396726136 711368314 /nfs/dbraw/zinc/36/83/14/711368314.db2.gz YSWDGASQCPBEAK-WFASDCNBSA-N 1 0 247.386 1.983 20 10 BDCDRO COc1cccc(C[NH2+]CC2=CCOCC2)c1O ZINC000397749448 711391055 /nfs/dbraw/zinc/39/10/55/711391055.db2.gz DYZVOQNENIYNLR-UHFFFAOYSA-N 1 0 249.310 1.837 20 10 BDCDRO OC[C@@H](CC(F)(F)F)[NH2+]Cc1ccccc1O ZINC000717788447 711621206 /nfs/dbraw/zinc/62/12/06/711621206.db2.gz BMUBNVWPYOOSOS-SECBINFHSA-N 1 0 249.232 1.795 20 10 BDCDRO COc1cccc(C[NH2+][C@@H]2CC23CC(O)C3)c1O ZINC000724931374 711630609 /nfs/dbraw/zinc/63/06/09/711630609.db2.gz NKDSYGSRAJNMEP-KSGYAGIASA-N 1 0 249.310 1.404 20 10 BDCDRO CC[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000707977969 712174435 /nfs/dbraw/zinc/17/44/35/712174435.db2.gz DCYYMNLZHLDGPZ-JTQLQIEISA-N 1 0 236.315 1.349 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCCN(C)C2=O)c1 ZINC000707762966 712177385 /nfs/dbraw/zinc/17/73/85/712177385.db2.gz QAFOQWGLUKTWJB-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO CCN1CC[C@H]([NH2+][C@H](C)c2ccccc2O)C1=O ZINC000708663943 712196487 /nfs/dbraw/zinc/19/64/87/712196487.db2.gz BBPZLOTTYKWTCE-PWSUYJOCSA-N 1 0 248.326 1.664 20 10 BDCDRO COc1ccc(C[NH2+][C@@H]2CC[C@H]2O)cc1C ZINC000378684476 712357629 /nfs/dbraw/zinc/35/76/29/712357629.db2.gz BPFRJTRAWSBAFF-VXGBXAGGSA-N 1 0 221.300 1.617 20 10 BDCDRO C[C@@H]([NH3+])CCC(=O)Nc1ccc(N)cc1 ZINC000390508876 712419669 /nfs/dbraw/zinc/41/96/69/712419669.db2.gz YMCQRIPLDRHWGP-MRVPVSSYSA-N 1 0 207.277 1.335 20 10 BDCDRO CN1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000712583049 712434210 /nfs/dbraw/zinc/43/42/10/712434210.db2.gz SQAHKYJJVNQPTB-CYBMUJFWSA-N 1 0 232.327 1.415 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1CCN1C)c1cc(F)ccc1O ZINC000712596584 712436359 /nfs/dbraw/zinc/43/63/59/712436359.db2.gz VCFOZTXVDYJMFZ-MWLCHTKSSA-N 1 0 238.306 1.886 20 10 BDCDRO CCN1CC[C@H]1C[NH2+]Cc1cc(C)ccc1O ZINC000712566286 712446702 /nfs/dbraw/zinc/44/67/02/712446702.db2.gz STACBISGLQTISC-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO CNC(=O)C[NH2+][C@H](C)c1ccc(N(C)C)cc1 ZINC000037253992 712560661 /nfs/dbraw/zinc/56/06/61/712560661.db2.gz KTOWZTVAZJBOAY-SNVBAGLBSA-N 1 0 235.331 1.149 20 10 BDCDRO CCc1cccc(C[NH2+]C/C=C/CO)c1O ZINC000717438270 712657833 /nfs/dbraw/zinc/65/78/33/712657833.db2.gz PAONYJUYNCXZHB-ONEGZZNKSA-N 1 0 221.300 1.593 20 10 BDCDRO OC/C=C\C[NH2+]Cc1cc(Cl)ccc1O ZINC000717533689 712660584 /nfs/dbraw/zinc/66/05/84/712660584.db2.gz NCCHUPFQBWXBDT-UPHRSURJSA-N 1 0 227.691 1.684 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+]C/C=C/CO)c1 ZINC000717532693 712660631 /nfs/dbraw/zinc/66/06/31/712660631.db2.gz OPYSXNVWTCHTFU-PGLGOXFNSA-N 1 0 221.300 1.900 20 10 BDCDRO CC[C@@H]([NH2+]C/C=C/CO)c1ccccc1O ZINC000717533781 712660769 /nfs/dbraw/zinc/66/07/69/712660769.db2.gz ZNXRWDODVZPDFP-BTDICHCPSA-N 1 0 221.300 1.981 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](CO)C2CCC2)c1O ZINC000717602607 712662001 /nfs/dbraw/zinc/66/20/01/712662001.db2.gz CVTUTQDGXHARGN-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO COc1ccc(O)c([C@H](C)NCC[NH3+])c1 ZINC000037712456 712745097 /nfs/dbraw/zinc/74/50/97/712745097.db2.gz FHIYHFGNJWNNRJ-QMMMGPOBSA-N 1 0 210.277 1.010 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1C[C@H](O)C1)CC2 ZINC000720935794 712879894 /nfs/dbraw/zinc/87/98/94/712879894.db2.gz IMZKOUDRTPHHKO-DLOVCJGASA-N 1 0 233.311 1.740 20 10 BDCDRO O[C@H]1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000720935863 712879992 /nfs/dbraw/zinc/87/99/92/712879992.db2.gz JTBRYVFVJPUQTH-AULYBMBSSA-N 1 0 233.311 1.482 20 10 BDCDRO O=C1NCC[C@@H]1[NH2+]Cc1ccc(Cl)cc1O ZINC001206801058 968486377 /nfs/dbraw/zinc/48/63/77/968486377.db2.gz RQPICBBOPSSEPJ-VIFPVBQESA-N 1 0 240.690 1.024 20 10 BDCDRO CC1(C)C[NH2+]CCN1Cc1ccc(N)cc1 ZINC001235825777 979164128 /nfs/dbraw/zinc/16/41/28/979164128.db2.gz NTWMOGRQLVFSDA-UHFFFAOYSA-N 1 0 219.332 1.453 20 10 BDCDRO Nc1ccc(CO[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC001217928554 971533041 /nfs/dbraw/zinc/53/30/41/971533041.db2.gz AXJCFXZSXOQEPO-NSHDSACASA-N 1 0 242.269 1.783 20 10 BDCDRO CC(=O)c1cc(O)c(O)cc1O[C@H]1CC[NH2+]C1 ZINC001218180674 971614692 /nfs/dbraw/zinc/61/46/92/971614692.db2.gz AKDMAYUYPAIXNO-QMMMGPOBSA-N 1 0 237.255 1.041 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@@H]1Oc1ccc(N)cc1 ZINC001218481264 971827331 /nfs/dbraw/zinc/82/73/31/971827331.db2.gz JTGBIJBBFVHSEK-SKDRFNHKSA-N 1 0 206.289 1.646 20 10 BDCDRO Cc1c[nH]c(C[NH2+]Cc2ccccc2O)n1 ZINC000693496185 958571082 /nfs/dbraw/zinc/57/10/82/958571082.db2.gz TXCBYPZSONUERN-UHFFFAOYSA-N 1 0 217.272 1.714 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000693606582 958974364 /nfs/dbraw/zinc/97/43/64/958974364.db2.gz UGLHCOKVNGVNAC-XYPYZODXSA-N 1 0 234.299 1.088 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC(CO)C2)cc1 ZINC000164416178 959983108 /nfs/dbraw/zinc/98/31/08/959983108.db2.gz NHFBYKCWLAVVSR-UHFFFAOYSA-N 1 0 220.316 1.177 20 10 BDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1O ZINC001140741735 960541749 /nfs/dbraw/zinc/54/17/49/960541749.db2.gz BEZMAAUFLCPEQA-TXEJJXNPSA-N 1 0 249.310 1.769 20 10 BDCDRO Cc1c(O)ccc(CN(C)CC[NH+](C)C)c1O ZINC001140742176 960545581 /nfs/dbraw/zinc/54/55/81/960545581.db2.gz JKBHXWZTLLEECP-UHFFFAOYSA-N 1 0 238.331 1.400 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+](C)[C@@H]2CCOC2)c1O ZINC001140746251 960550310 /nfs/dbraw/zinc/55/03/10/960550310.db2.gz XFHNLCOTMCYLPF-LLVKDONJSA-N 1 0 237.299 1.627 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](F)[C@@H](O)C2)c(O)c1 ZINC001140947742 960744918 /nfs/dbraw/zinc/74/49/18/960744918.db2.gz DBNNZISFPZWESH-AAEUAGOBSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1ccc(CN2CCC23COC3)c(O)c1 ZINC001140950324 960759008 /nfs/dbraw/zinc/75/90/08/960759008.db2.gz YTMGXSNSFLBLFI-UHFFFAOYSA-N 1 0 219.284 1.675 20 10 BDCDRO Cc1cc(C[N@@H+]2CCc3cccc(O)c3C2)[nH]n1 ZINC001203081822 960766408 /nfs/dbraw/zinc/76/64/08/960766408.db2.gz HQJBJKYFEFNFSF-UHFFFAOYSA-N 1 0 243.310 1.982 20 10 BDCDRO COCC[N@H+](C)Cc1cc(O)ccc1O ZINC001141156084 960889786 /nfs/dbraw/zinc/88/97/86/960889786.db2.gz PXZDSRBDEICAEU-UHFFFAOYSA-N 1 0 211.261 1.176 20 10 BDCDRO C[N@H+](Cc1cc(O)ccc1O)CC1(C)COC1 ZINC001141160388 960891048 /nfs/dbraw/zinc/89/10/48/960891048.db2.gz WRCRLYQPMKWSAF-UHFFFAOYSA-N 1 0 237.299 1.566 20 10 BDCDRO CO[C@H]1CCC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156194 960891301 /nfs/dbraw/zinc/89/13/01/960891301.db2.gz TYLPCWDAKSTYQU-LBPRGKRZSA-N 1 0 237.299 1.709 20 10 BDCDRO C[C@H]1C[C@@H](CO)[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156259 960892570 /nfs/dbraw/zinc/89/25/70/960892570.db2.gz ISEDTQFCVILDDA-ONGXEEELSA-N 1 0 237.299 1.301 20 10 BDCDRO C[C@@H]1C[C@H](O)CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141160430 960897253 /nfs/dbraw/zinc/89/72/53/960897253.db2.gz YIDPFZHELDBJGN-BXKDBHETSA-N 1 0 237.299 1.443 20 10 BDCDRO COC[C@H]1CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141162987 960898667 /nfs/dbraw/zinc/89/86/67/960898667.db2.gz NLCKOPAJFNDFSX-SNVBAGLBSA-N 1 0 223.272 1.319 20 10 BDCDRO Oc1ccc(O)c(C[NH+]2CC3CC(C3)C2)c1 ZINC001141162511 960899757 /nfs/dbraw/zinc/89/97/57/960899757.db2.gz VLXRWNOEGJIYBU-UHFFFAOYSA-N 1 0 219.284 1.940 20 10 BDCDRO CC[N@H+](Cc1cc(O)ccc1O)CC(C)(C)O ZINC001141161523 960901199 /nfs/dbraw/zinc/90/11/99/960901199.db2.gz TYIYQUFTFBAJFV-UHFFFAOYSA-N 1 0 239.315 1.691 20 10 BDCDRO C[C@@H]1CN(Cc2cc(O)ccc2O)[C@H](C)CO1 ZINC001141161725 960902286 /nfs/dbraw/zinc/90/22/86/960902286.db2.gz VNTQHJNXKHMEKN-NXEZZACHSA-N 1 0 237.299 1.707 20 10 BDCDRO c1cc(CNC[C@H]2CCCC[NH2+]2)cc2c1OCC2 ZINC000258800266 961063574 /nfs/dbraw/zinc/06/35/74/961063574.db2.gz CWLLXBLVRKMGBU-CQSZACIVSA-N 1 0 246.354 1.853 20 10 BDCDRO CC1(C[N@@H+]2CCc3cccc(O)c3C2)COC1 ZINC001207801970 961812624 /nfs/dbraw/zinc/81/26/24/961812624.db2.gz 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/nfs/dbraw/zinc/75/97/36/977759736.db2.gz SLDJOLBSUKZQRB-UHFFFAOYSA-N 1 0 249.310 1.614 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H](O)C2)c(O)c1 ZINC001232834165 978306310 /nfs/dbraw/zinc/30/63/10/978306310.db2.gz IQDRMELGSUZISD-GFCCVEGCSA-N 1 0 236.315 1.025 20 10 BDCDRO CCC[N@H+](C)Cc1cc(O)c(O)c(O)c1 ZINC001233010085 978407296 /nfs/dbraw/zinc/40/72/96/978407296.db2.gz KTOWUUXERYIVAS-UHFFFAOYSA-N 1 0 211.261 1.645 20 10 BDCDRO CC(C)C[N@H+](C)Cc1cc(O)c(O)cc1O ZINC001233482353 978612342 /nfs/dbraw/zinc/61/23/42/978612342.db2.gz KTUOKIRSMFQAFJ-UHFFFAOYSA-N 1 0 225.288 1.891 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CC3(CCC3)C2)cc1O ZINC001233482872 978613054 /nfs/dbraw/zinc/61/30/54/978613054.db2.gz FQVDCVCJNDSLKW-UHFFFAOYSA-N 1 0 235.283 1.789 20 10 BDCDRO COc1cc(C)cc(C[NH2+][C@]23C[C@H]2COC3)c1O ZINC001338310836 978658961 /nfs/dbraw/zinc/65/89/61/978658961.db2.gz VAUNHWVMMVLIAE-FZMZJTMJSA-N 1 0 249.310 1.588 20 10 BDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204277402 978931334 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979273417 /nfs/dbraw/zinc/27/34/17/979273417.db2.gz NFAVIPNKYNXNJD-OCCSQVGLSA-N 1 0 232.327 1.624 20 10 BDCDRO Cc1cc(CN2C[C@@H]3C[C@]3([NH3+])C2)ccc1N(C)C ZINC001236027857 979324417 /nfs/dbraw/zinc/32/44/17/979324417.db2.gz QGZKVXYLPPUSSB-ZFWWWQNUSA-N 1 0 245.370 1.594 20 10 BDCDRO CCOc1ccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c(O)c1 ZINC001236027729 979325815 /nfs/dbraw/zinc/32/58/15/979325815.db2.gz OGJGRDFPVLQEHC-FZMZJTMJSA-N 1 0 248.326 1.324 20 10 BDCDRO CC[N@H+](CCCCO)Cc1ccccc1O ZINC001236043943 979332222 /nfs/dbraw/zinc/33/22/22/979332222.db2.gz GQTCDJRQWCNIKH-UHFFFAOYSA-N 1 0 223.316 1.987 20 10 BDCDRO C[NH2+]CCCCC(=O)N(C)c1ccc(N)cc1 ZINC001341478721 979427054 /nfs/dbraw/zinc/42/70/54/979427054.db2.gz YYKMESBIHLHRDE-UHFFFAOYSA-N 1 0 235.331 1.621 20 10 BDCDRO Nc1ccc(CN2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC001236221582 979455113 /nfs/dbraw/zinc/45/51/13/979455113.db2.gz FTEMREVXDXHLFM-HNNXBMFYSA-N 1 0 245.370 1.985 20 10 BDCDRO CCc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2C)c(O)c1 ZINC001236782307 979728060 /nfs/dbraw/zinc/72/80/60/979728060.db2.gz AINQOFRJFQZMMX-ZWNOBZJWSA-N 1 0 235.327 1.910 20 10 BDCDRO CCc1ccc(C[NH+]2CC3(CN(C)C3)C2)c(O)c1 ZINC001236787238 979731062 /nfs/dbraw/zinc/73/10/62/979731062.db2.gz HOZJNMDWAGKHPU-UHFFFAOYSA-N 1 0 246.354 1.702 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1cc(OC)ccc1O ZINC001236864749 979765509 /nfs/dbraw/zinc/76/55/09/979765509.db2.gz DZUBVWFTJZOXII-NSHDSACASA-N 1 0 238.331 1.570 20 10 BDCDRO CC(C)c1ccc(C[NH+]2CC(CO)C2)c(O)c1 ZINC001237054296 979811977 /nfs/dbraw/zinc/81/19/77/979811977.db2.gz VEIZSYANHLYDDH-UHFFFAOYSA-N 1 0 235.327 1.940 20 10 BDCDRO Oc1ccc(F)c(Cl)c1C[N@H+]1CC[C@@H](O)C1 ZINC001237119069 979820794 /nfs/dbraw/zinc/82/07/94/979820794.db2.gz AHYPUWCXEPNTBO-SSDOTTSWSA-N 1 0 245.681 1.751 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC001343566677 980150187 /nfs/dbraw/zinc/15/01/87/980150187.db2.gz JQCWRVFKYZSPDT-DGCLKSJQSA-N 1 0 247.342 1.403 20 10 BDCDRO COC(=O)C(C)(C)C[NH2+]Cc1ccc(N)cc1 ZINC001345160277 980570142 /nfs/dbraw/zinc/57/01/42/980570142.db2.gz TUFDYVWJHIRKGX-UHFFFAOYSA-N 1 0 236.315 1.558 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(N)cc1 ZINC001346208931 980786626 /nfs/dbraw/zinc/78/66/26/980786626.db2.gz CWRACYPZSKGRRD-LBPRGKRZSA-N 1 0 247.342 1.131 20 10 BDCDRO CC(C)[C@H]1C(=O)NCCN1Cc1ccc(N)cc1 ZINC001356083596 983570536 /nfs/dbraw/zinc/57/05/36/983570536.db2.gz UHDDZAJKJWFEJW-ZDUSSCGKSA-N 1 0 247.342 1.225 20 10 BDCDRO CCC[N@H+](C)CC(=O)NCc1ccc(N)cc1 ZINC001356228822 983589272 /nfs/dbraw/zinc/58/92/72/983589272.db2.gz VOJWKHGJYQQKIN-UHFFFAOYSA-N 1 0 235.331 1.227 20 10 BDCDRO CCN(CC[NH3+])Cc1c(C)cc(OC)cc1O ZINC001577721082 984667087 /nfs/dbraw/zinc/66/70/87/984667087.db2.gz SMBXFQQMSSZANB-UHFFFAOYSA-N 1 0 238.331 1.490 20 10 BDCDRO Cc1c2ccccc2n(C)c1C[NH2+][C@@H]1CNOC1 ZINC001579534933 986073835 /nfs/dbraw/zinc/07/38/35/986073835.db2.gz XXRUOHMRGMAVHD-LLVKDONJSA-N 1 0 245.326 1.480 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC[C@H]1CC[NH2+]1 ZINC001579616697 986133567 /nfs/dbraw/zinc/13/35/67/986133567.db2.gz DXNAVJGHSPXIGK-CYBMUJFWSA-N 1 0 233.359 1.513 20 10 BDCDRO C[C@@H]1CC[C@H](NCc2cccc(O)c2O)C[NH2+]1 ZINC001246314580 987720007 /nfs/dbraw/zinc/72/00/07/987720007.db2.gz HCZGINPPUWTMOA-KOLCDFICSA-N 1 0 236.315 1.328 20 10 BDCDRO COc1ccc2c(c1)CCCN2C[C@H](C)[NH3+] ZINC001118260673 988166839 /nfs/dbraw/zinc/16/68/39/988166839.db2.gz FBWNITSPIBYHEQ-JTQLQIEISA-N 1 0 220.316 1.795 20 10 BDCDRO C[C@H](NC(=O)C12CC(C1)C[NH2+]2)c1ccccc1O ZINC001122190654 990286684 /nfs/dbraw/zinc/28/66/84/990286684.db2.gz DQMQIRZGRHNNFQ-IPWFMCSPSA-N 1 0 246.310 1.321 20 10 BDCDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N)cc1 ZINC001122535813 990408842 /nfs/dbraw/zinc/40/88/42/990408842.db2.gz IIEQYOQRWWPYLP-QWHCGFSZSA-N 1 0 247.342 1.273 20 10 BDCDRO Cc1cc(C[NH+]2CC(C)(CO)C2)ccc1N(C)C ZINC001139669567 990791906 /nfs/dbraw/zinc/79/19/06/990791906.db2.gz BAKZUWSYAYWRET-UHFFFAOYSA-N 1 0 248.370 1.875 20 10 BDCDRO COc1cc(C)c(C[N@H+](C)[C@H](C)CO)c(O)c1 ZINC001560810485 991606682 /nfs/dbraw/zinc/60/66/82/991606682.db2.gz BENLEGUGGMTRBX-SNVBAGLBSA-N 1 0 239.315 1.522 20 10 BDCDRO OC[C@@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466433 991644800 /nfs/dbraw/zinc/64/48/00/991644800.db2.gz FNSNFDWKLMFWDV-SECBINFHSA-N 1 0 241.718 1.860 20 10 BDCDRO CN(C(=O)[C@H]1CCCC[C@H]1[NH3+])c1ccc(N)cc1 ZINC001262009183 992591552 /nfs/dbraw/zinc/59/15/52/992591552.db2.gz NFLZUODABKBUGR-QWHCGFSZSA-N 1 0 247.342 1.749 20 10 BDCDRO CC(C)C[NH2+]CC(=O)N(C)c1ccc(N)cc1 ZINC001262009172 992593028 /nfs/dbraw/zinc/59/30/28/992593028.db2.gz NBQGDHYOGRKOQI-UHFFFAOYSA-N 1 0 235.331 1.477 20 10 BDCDRO CN(C(=O)C1=CCC[NH2+]CC1)c1ccc(N)cc1 ZINC001263168592 993146246 /nfs/dbraw/zinc/14/62/46/993146246.db2.gz RMAPMBYTQORKAN-UHFFFAOYSA-N 1 0 245.326 1.541 20 10 BDCDRO C[C@@H]1[C@H]([NH3+])CCN1Cc1cc(Cl)ccc1O ZINC000390602637 993798680 /nfs/dbraw/zinc/79/86/80/993798680.db2.gz WQAPTGINQRMYQW-LDYMZIIASA-N 1 0 240.734 1.967 20 10 BDCDRO Cc1cc(O)c(C[N@H+](C)CCCO)cc1C ZINC000281800936 178195767 /nfs/dbraw/zinc/19/57/67/178195767.db2.gz PDCGZHHWJUXGLO-UHFFFAOYSA-N 1 0 223.316 1.823 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CC(=O)NC2CC2)cc1C ZINC000266232976 178197502 /nfs/dbraw/zinc/19/75/02/178197502.db2.gz VDLTUVMPJFABNT-UHFFFAOYSA-N 1 0 248.326 1.377 20 10 BDCDRO C[C@H]([NH2+]C[C@H](O)C(F)(F)F)c1ccccc1O ZINC000228791623 398341744 /nfs/dbraw/zinc/34/17/44/398341744.db2.gz MJQPSMBSCAOCDA-XVKPBYJWSA-N 1 0 249.232 1.966 20 10 BDCDRO CC[C@H]([NH2+]CCOCCO)c1ccccc1O ZINC000020198902 342976281 /nfs/dbraw/zinc/97/62/81/342976281.db2.gz RRKHTSQVELCDHR-LBPRGKRZSA-N 1 0 239.315 1.442 20 10 BDCDRO C[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035603827 343300108 /nfs/dbraw/zinc/30/01/08/343300108.db2.gz QYOVVUOICGPJHS-JTQLQIEISA-N 1 0 208.305 1.223 20 10 BDCDRO CCN1CCC([NH2+]Cc2ccccc2O)CC1 ZINC000038097903 343370858 /nfs/dbraw/zinc/37/08/58/343370858.db2.gz PJBMMFXMSINBFE-UHFFFAOYSA-N 1 0 234.343 1.966 20 10 BDCDRO CCN1CC[NH+](Cc2cc(C)ccc2O)CC1 ZINC000131701072 345305669 /nfs/dbraw/zinc/30/56/69/345305669.db2.gz QRSKAWUHUGOEMP-UHFFFAOYSA-N 1 0 234.343 1.838 20 10 BDCDRO Cc1cccc(C[N@@H+](CCO)C(C)C)c1O ZINC000132484166 179072238 /nfs/dbraw/zinc/07/22/38/179072238.db2.gz UUIMRWXAHHAQGG-UHFFFAOYSA-N 1 0 223.316 1.903 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCC[C@@H](CO)C2)c1O ZINC000271841930 179073318 /nfs/dbraw/zinc/07/33/18/179073318.db2.gz TYWXWDHTQIGACN-GFCCVEGCSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC000132488192 179078248 /nfs/dbraw/zinc/07/82/48/179078248.db2.gz DHQPWWPBARCWJI-LLVKDONJSA-N 1 0 207.273 1.267 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@H](CC(N)=O)C2)c1O ZINC000377852921 179081103 /nfs/dbraw/zinc/08/11/03/179081103.db2.gz VFWZSFRQOOQXJM-LLVKDONJSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@H](F)C[C@H]2CO)c1O ZINC000372646741 179085193 /nfs/dbraw/zinc/08/51/93/179085193.db2.gz CLVZQKKCCNLMHZ-NEPJUHHUSA-N 1 0 239.290 1.605 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)c1O ZINC000235915318 179082530 /nfs/dbraw/zinc/08/25/30/179082530.db2.gz TWCNCBVSUOYZBE-CQSZACIVSA-N 1 0 248.326 1.398 20 10 BDCDRO Cc1cccc(C[N@@H+]2C[C@H](O)C(C)(C)C2)c1O ZINC000280452570 179084688 /nfs/dbraw/zinc/08/46/88/179084688.db2.gz LJJSUQYJCXZHGC-LBPRGKRZSA-N 1 0 235.327 1.903 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCO2)c1O ZINC000083351374 179093518 /nfs/dbraw/zinc/09/35/18/179093518.db2.gz VDUVSYJXBGXLOF-GFCCVEGCSA-N 1 0 221.300 1.969 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2CC[C@H](O)C2)c1O ZINC000187987336 179094471 /nfs/dbraw/zinc/09/44/71/179094471.db2.gz BVFAMUXVBMKLCW-AAEUAGOBSA-N 1 0 235.327 1.951 20 10 BDCDRO CC(C)(C)[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000034510913 350470059 /nfs/dbraw/zinc/47/00/59/350470059.db2.gz WHJPLZJRKJLOTE-GFCCVEGCSA-N 1 0 223.316 1.889 20 10 BDCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1ccc(F)cc1 ZINC000637931315 351807871 /nfs/dbraw/zinc/80/78/71/351807871.db2.gz IZCMZISLGXYTSS-LLVKDONJSA-N 1 0 234.274 1.836 20 10 BDCDRO O=C(NCc1ccccc1O)C1CC[NH2+]CC1 ZINC000082280620 182258618 /nfs/dbraw/zinc/25/86/18/182258618.db2.gz CBUSYKFDNHNFQO-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO OCC1CC[NH+](Cc2cc(F)ccc2O)CC1 ZINC000179915180 183040462 /nfs/dbraw/zinc/04/04/62/183040462.db2.gz LPYPBZHBJRRYSM-UHFFFAOYSA-N 1 0 239.290 1.736 20 10 BDCDRO OCC1([NH2+]Cc2ccccc2O)CCCC1 ZINC000053044529 183038263 /nfs/dbraw/zinc/03/82/63/183038263.db2.gz RGYGFTPHLKAKSZ-UHFFFAOYSA-N 1 0 221.300 1.787 20 10 BDCDRO OC[C@H]1[C@@H]2C[N@H+](Cc3cc(F)ccc3O)C[C@H]12 ZINC000367777819 183132717 /nfs/dbraw/zinc/13/27/17/183132717.db2.gz KAJKRHDWOCHXKL-GDNZZTSVSA-N 1 0 237.274 1.201 20 10 BDCDRO OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccccc1O ZINC000364842827 183130024 /nfs/dbraw/zinc/13/00/24/183130024.db2.gz KBRDRUIPQSBAMV-QWRGUYRKSA-N 1 0 225.263 1.297 20 10 BDCDRO Oc1ccc(C[NH+]2CCC(O)CC2)c(O)c1 ZINC000039098686 183268613 /nfs/dbraw/zinc/26/86/13/183268613.db2.gz LLIMGRMTEUMWFI-UHFFFAOYSA-N 1 0 223.272 1.055 20 10 BDCDRO Oc1ccc(C[N@H+]2CCC[C@H](O)C2)c(O)c1 ZINC000039098684 183269161 /nfs/dbraw/zinc/26/91/61/183269161.db2.gz HORYLZZXUCKIHB-NSHDSACASA-N 1 0 223.272 1.055 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000187985546 183274483 /nfs/dbraw/zinc/27/44/83/183274483.db2.gz OAXBFHIXOVXFMX-SKDRFNHKSA-N 1 0 239.290 1.782 20 10 BDCDRO Oc1cc2c(cc1C[NH2+]Cc1cc[nH]n1)OCO2 ZINC000042880407 183260746 /nfs/dbraw/zinc/26/07/46/183260746.db2.gz CFTUVEZKLSRACR-UHFFFAOYSA-N 1 0 247.254 1.134 20 10 BDCDRO CCCN(Cc1ccccc1O)C(=O)C[NH3+] ZINC000236731960 169177182 /nfs/dbraw/zinc/17/71/82/169177182.db2.gz YKOOWDUKPTYGMF-UHFFFAOYSA-N 1 0 222.288 1.090 20 10 BDCDRO CCC[N@H+](CCO)Cc1cc(C)ccc1O ZINC000128037947 169165119 /nfs/dbraw/zinc/16/51/19/169165119.db2.gz CITQESJJLIJNBE-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO CCC[N@H+](CCO)Cc1cccc(C)c1O ZINC000132483143 169166741 /nfs/dbraw/zinc/16/67/41/169166741.db2.gz KRBGJNKMESXGLG-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO Oc1ccccc1C[NH+]1CCN(C2CC2)CC1 ZINC000179556306 183301843 /nfs/dbraw/zinc/30/18/43/183301843.db2.gz HXHHIOJZNOIOKA-UHFFFAOYSA-N 1 0 232.327 1.672 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CCSC1 ZINC000076642623 183302981 /nfs/dbraw/zinc/30/29/81/183302981.db2.gz BRWWFGWLMVPDPZ-SNVBAGLBSA-N 1 0 209.314 1.987 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000084228023 183303246 /nfs/dbraw/zinc/30/32/46/183303246.db2.gz LOJOXOOXHQVLSA-WCQYABFASA-N 1 0 221.300 1.643 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188818630 183303637 /nfs/dbraw/zinc/30/36/37/183303637.db2.gz IWYRJVOFKJLDAE-PWSUYJOCSA-N 1 0 221.300 1.643 20 10 BDCDRO C[C@@H](CO)[C@H](C)[NH2+]Cc1ccccc1O ZINC000077421961 384066436 /nfs/dbraw/zinc/06/64/36/384066436.db2.gz JEZVMNNYFZAZIL-UWVGGRQHSA-N 1 0 209.289 1.499 20 10 BDCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825818 384165492 /nfs/dbraw/zinc/16/54/92/384165492.db2.gz WZZBIVWNRLYLBZ-CYBMUJFWSA-N 1 0 249.358 1.352 20 10 BDCDRO CCOCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879815 384251740 /nfs/dbraw/zinc/25/17/40/384251740.db2.gz SMOJNFRNAKNCBF-UHFFFAOYSA-N 1 0 239.271 1.247 20 10 BDCDRO CC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000133275339 384281638 /nfs/dbraw/zinc/28/16/38/384281638.db2.gz ZKJKXJIEYXFRGQ-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO CC[N@H+](CCOC)Cc1cc(OC)ccc1O ZINC000133265931 384282541 /nfs/dbraw/zinc/28/25/41/384282541.db2.gz KUZSTBNZACATGS-UHFFFAOYSA-N 1 0 239.315 1.869 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)[C@@H]2CCOC2)cc1 ZINC000120180020 384333989 /nfs/dbraw/zinc/33/39/89/384333989.db2.gz XHDQNYYLOZCKFB-CQSZACIVSA-N 1 0 234.343 1.973 20 10 BDCDRO CCOc1cccc(C[NH2+][C@H](C)CCO)c1O ZINC000096811725 384480796 /nfs/dbraw/zinc/48/07/96/384480796.db2.gz FPXQKPIEXSCIQE-SNVBAGLBSA-N 1 0 239.315 1.651 20 10 BDCDRO CN(C)C1(C[NH2+]Cc2ccccc2O)CCC1 ZINC000097928847 384580260 /nfs/dbraw/zinc/58/02/60/384580260.db2.gz CGHUOIIVUWREPK-UHFFFAOYSA-N 1 0 234.343 1.966 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000020195335 384592236 /nfs/dbraw/zinc/59/22/36/384592236.db2.gz MBOKSNBRCAFLER-ZJUUUORDSA-N 1 0 239.315 1.822 20 10 BDCDRO CCC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000163195264 384763916 /nfs/dbraw/zinc/76/39/16/384763916.db2.gz JOIHVJVWIDTTDG-JTQLQIEISA-N 1 0 222.288 1.136 20 10 BDCDRO CNC(=O)CC[NH2+]Cc1c(O)cccc1Cl ZINC000083599848 384782107 /nfs/dbraw/zinc/78/21/07/384782107.db2.gz LPBPMPCDRGXPED-UHFFFAOYSA-N 1 0 242.706 1.271 20 10 BDCDRO CC[C@@H](C[NH2+]Cc1cc(OC)ccc1O)OC ZINC000290818271 384787289 /nfs/dbraw/zinc/78/72/89/384787289.db2.gz GQUKAZNLKDEDSK-NSHDSACASA-N 1 0 239.315 1.915 20 10 BDCDRO CC[C@H](O)CC[NH2+]Cc1cccc(OC)c1O ZINC000127403617 384894145 /nfs/dbraw/zinc/89/41/45/384894145.db2.gz HLNNAVCGFGNSNB-NSHDSACASA-N 1 0 239.315 1.651 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2C[C@@H](O)C2(C)C)c1 ZINC000128112935 384995778 /nfs/dbraw/zinc/99/57/78/384995778.db2.gz FVGLOUWQJLPNTB-CHWSQXEVSA-N 1 0 235.327 1.950 20 10 BDCDRO C[C@H](CO)C[NH2+][C@@H](C)c1cc(F)ccc1O ZINC000087111423 385076041 /nfs/dbraw/zinc/07/60/41/385076041.db2.gz IJJORDKEBAVHLH-IUCAKERBSA-N 1 0 227.279 1.810 20 10 BDCDRO CCN(C)c1ccc([C@H](C)[NH2+]CCO)cc1 ZINC000166477186 385246325 /nfs/dbraw/zinc/24/63/25/385246325.db2.gz VSIWJEDNNZJBLY-NSHDSACASA-N 1 0 222.332 1.786 20 10 BDCDRO CCN(C)c1ccc([C@@H](C)[NH2+]CCO)cc1 ZINC000166477083 385247298 /nfs/dbraw/zinc/24/72/98/385247298.db2.gz VSIWJEDNNZJBLY-LLVKDONJSA-N 1 0 222.332 1.786 20 10 BDCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(N)cc1 ZINC000294873979 385284760 /nfs/dbraw/zinc/28/47/60/385284760.db2.gz CQOFXJYUUJXALP-HTQZYQBOSA-N 1 0 207.277 1.191 20 10 BDCDRO CCOc1cccc(C[NH2+]CCF)c1O ZINC000280677001 385350863 /nfs/dbraw/zinc/35/08/63/385350863.db2.gz MSVSAEIVFHMSBP-UHFFFAOYSA-N 1 0 213.252 1.850 20 10 BDCDRO C[C@]1(O)CCC[N@H+](Cc2ccccc2O)C1 ZINC000179578387 385476684 /nfs/dbraw/zinc/47/66/84/385476684.db2.gz JGJLSSFIQJVNQB-ZDUSSCGKSA-N 1 0 221.300 1.739 20 10 BDCDRO C[C@H](O)CC[N@H+](C)Cc1cc(F)ccc1O ZINC000180170344 385510038 /nfs/dbraw/zinc/51/00/38/385510038.db2.gz OAWOHJLFBNFHAK-VIFPVBQESA-N 1 0 227.279 1.734 20 10 BDCDRO COC(=O)C[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000180195765 385512689 /nfs/dbraw/zinc/51/26/89/385512689.db2.gz LUBIUSZYQRYTRW-GFCCVEGCSA-N 1 0 249.310 1.920 20 10 BDCDRO CC[C@H](O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000229969014 385695201 /nfs/dbraw/zinc/69/52/01/385695201.db2.gz FLDRMTRCODXQPP-LBPRGKRZSA-N 1 0 223.316 1.864 20 10 BDCDRO CC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000229964595 385695714 /nfs/dbraw/zinc/69/57/14/385695714.db2.gz XNYISUZYZDPDII-LBPRGKRZSA-N 1 0 221.300 1.482 20 10 BDCDRO Cc1noc(CC[NH2+][C@@H](C)c2ccccc2O)n1 ZINC000183595553 385773622 /nfs/dbraw/zinc/77/36/22/385773622.db2.gz IKRBIKJXQSFJDR-VIFPVBQESA-N 1 0 247.298 1.977 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000294779907 385896153 /nfs/dbraw/zinc/89/61/53/385896153.db2.gz NSHMIMSSHGMWOI-ONGXEEELSA-N 1 0 233.315 1.725 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1O ZINC000272378024 385899048 /nfs/dbraw/zinc/89/90/48/385899048.db2.gz HIESWTNHJVMHHW-GWCFXTLKSA-N 1 0 221.300 1.595 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000294888183 385909314 /nfs/dbraw/zinc/90/93/14/385909314.db2.gz QRVUPIRCLXEOJF-BJHJDKERSA-N 1 0 220.316 1.366 20 10 BDCDRO CO[C@H]1COC[C@@H]1[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297441341 386255924 /nfs/dbraw/zinc/25/59/24/386255924.db2.gz WEQDVSWZTPHSTD-MDZLAQPJSA-N 1 0 249.310 1.383 20 10 BDCDRO COc1cc(O)c(C[NH2+][C@H](C)CF)cc1OC ZINC000289247164 386278519 /nfs/dbraw/zinc/27/85/19/386278519.db2.gz ASGBKBGWCHUWTA-MRVPVSSYSA-N 1 0 243.278 1.857 20 10 BDCDRO Cc1ccc(O)c(C[N@H+](C)CCCCO)c1 ZINC000276524362 386338938 /nfs/dbraw/zinc/33/89/38/386338938.db2.gz COSIUZCBNATNJI-UHFFFAOYSA-N 1 0 223.316 1.905 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1cc(F)ccc1O ZINC000295907316 386705181 /nfs/dbraw/zinc/70/51/81/386705181.db2.gz IYUCEQYNSRSHPF-UJNFCWOMSA-N 1 0 225.263 1.705 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CC2COC2)cc1C ZINC000527819724 387743706 /nfs/dbraw/zinc/74/37/06/387743706.db2.gz ZQLIRRAKSYTXIN-UHFFFAOYSA-N 1 0 221.300 1.745 20 10 BDCDRO CC[C@H](COC)[NH2+]Cc1cc(OC)ccc1O ZINC000079732928 387956496 /nfs/dbraw/zinc/95/64/96/387956496.db2.gz PFPUQDSLZDIWCX-LLVKDONJSA-N 1 0 239.315 1.915 20 10 BDCDRO Cc1cccc(CN2CC[N@@H+]3CCC[C@H]3C2)c1O ZINC000245855412 387987936 /nfs/dbraw/zinc/98/79/36/387987936.db2.gz NIDSSBGVZJDEDF-AWEZNQCLSA-N 1 0 246.354 1.981 20 10 BDCDRO C[C@@H]([NH2+]CCO)c1cc(Cl)ccc1O ZINC000134910566 388481499 /nfs/dbraw/zinc/48/14/99/388481499.db2.gz UIBUDCOAVONEEH-SSDOTTSWSA-N 1 0 215.680 1.689 20 10 BDCDRO C[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000295809563 388414326 /nfs/dbraw/zinc/41/43/26/388414326.db2.gz CRYGRDVUZQCENP-PSASIEDQSA-N 1 0 207.273 1.350 20 10 BDCDRO [NH3+]Cc1nccnc1Sc1nccs1 ZINC000054378856 388593863 /nfs/dbraw/zinc/59/38/63/388593863.db2.gz LPSYGCBESWJZOK-UHFFFAOYSA-N 1 0 224.314 1.543 20 10 BDCDRO CCOCC[NH2+]Cc1cc(F)ccc1O ZINC000226619316 388724412 /nfs/dbraw/zinc/72/44/12/388724412.db2.gz UKRXCKPBELERKM-UHFFFAOYSA-N 1 0 213.252 1.657 20 10 BDCDRO Cn1nncc1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000267509764 389001201 /nfs/dbraw/zinc/00/12/01/389001201.db2.gz JTLRLBVNTIHEFR-UHFFFAOYSA-N 1 0 244.298 1.040 20 10 BDCDRO CC1(C[NH2+]Cc2ccccc2O)OCCCO1 ZINC000192251734 168043073 /nfs/dbraw/zinc/04/30/73/168043073.db2.gz HPXBAZQGPHRWNG-UHFFFAOYSA-N 1 0 237.299 1.635 20 10 BDCDRO CC[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)C[C@H]1O ZINC000271353990 171088455 /nfs/dbraw/zinc/08/84/55/171088455.db2.gz QACQIIMMPJLHIZ-UKRRQHHQSA-N 1 0 248.370 1.955 20 10 BDCDRO CN1CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000042544017 173123871 /nfs/dbraw/zinc/12/38/71/173123871.db2.gz ORSJPWUATGTDEW-LLVKDONJSA-N 1 0 206.289 1.186 20 10 BDCDRO CN1CC[C@H]2CC[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000378499294 173161216 /nfs/dbraw/zinc/16/12/16/173161216.db2.gz PPJOURGSIRUZTE-JSGCOSHPSA-N 1 0 246.354 1.918 20 10 BDCDRO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000133042497 173297838 /nfs/dbraw/zinc/29/78/38/173297838.db2.gz BBMNPYSGKVEWLD-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO COCCC[N@H+](C)Cc1cc(F)ccc1O ZINC000179997701 174219067 /nfs/dbraw/zinc/21/90/67/174219067.db2.gz CHBORTPFMAPJCW-UHFFFAOYSA-N 1 0 227.279 2.000 20 10 BDCDRO COCC[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000068960638 174279966 /nfs/dbraw/zinc/27/99/66/174279966.db2.gz WFGRSQDKOROOJB-UHFFFAOYSA-N 1 0 239.271 1.199 20 10 BDCDRO COCC[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000019881557 174338373 /nfs/dbraw/zinc/33/83/73/174338373.db2.gz BGZSZAZEECOFOQ-VIFPVBQESA-N 1 0 225.288 1.698 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CCCC2)c1 ZINC000163165837 175157041 /nfs/dbraw/zinc/15/70/41/175157041.db2.gz XLVZWOQRHOYSOQ-UHFFFAOYSA-N 1 0 207.273 1.997 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)C(C)C)c1 ZINC000092392548 175159058 /nfs/dbraw/zinc/15/90/58/175159058.db2.gz WGFVDJYUFNFEGX-GFCCVEGCSA-N 1 0 239.315 1.507 20 10 BDCDRO COc1cccc(C[NH2+]CC2(C)COC2)c1O ZINC000083523064 175262973 /nfs/dbraw/zinc/26/29/73/175262973.db2.gz SITXACGSATZLBO-UHFFFAOYSA-N 1 0 237.299 1.527 20 10 BDCDRO COc1cccc(C[NH2+]CCC(C)(C)O)c1O ZINC000274774092 175263604 /nfs/dbraw/zinc/26/36/04/175263604.db2.gz SVFMQHJOMWWTHF-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@@H](c1nncn1C)N(C)Cc1ccccc1O ZINC000287761029 176039348 /nfs/dbraw/zinc/03/93/48/176039348.db2.gz MGVBECVMTKBQBX-JTQLQIEISA-N 1 0 246.314 1.714 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1cc(Cl)ccc1O ZINC000853250085 588729093 /nfs/dbraw/zinc/72/90/93/588729093.db2.gz ZSZFOWNBKWUQTA-QMMMGPOBSA-N 1 0 228.723 1.743 20 10 BDCDRO CC[C@@H]([NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892148083 582801281 /nfs/dbraw/zinc/80/12/81/582801281.db2.gz SHSIRLZLRSEJTJ-SNVBAGLBSA-N 1 0 249.314 1.155 20 10 BDCDRO Oc1ccc(Cl)cc1CNC1=[NH+]CCCN1 ZINC000849214874 582843353 /nfs/dbraw/zinc/84/33/53/582843353.db2.gz ZGUHPFVBCURODT-UHFFFAOYSA-N 1 0 239.706 1.485 20 10 BDCDRO CC[N@H+](CCO)Cc1cc(C)cc(OC)c1O ZINC000893872282 583238084 /nfs/dbraw/zinc/23/80/84/583238084.db2.gz QBZHHJBDOWIKDT-UHFFFAOYSA-N 1 0 239.315 1.523 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c(O)c1 ZINC000877464002 583314825 /nfs/dbraw/zinc/31/48/25/583314825.db2.gz IETOMNYOXFVPCQ-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO COC[C@@H](C)[NH2+]Cc1cc(C)cc(OC)c1O ZINC000894150000 583319143 /nfs/dbraw/zinc/31/91/43/583319143.db2.gz TVJKTLKQVMUWIC-SNVBAGLBSA-N 1 0 239.315 1.834 20 10 BDCDRO Cc1c[nH]nc1CN1Cc2cccc(O)c2C1 ZINC000877702743 583343619 /nfs/dbraw/zinc/34/36/19/583343619.db2.gz FVISJHIUNNZUPD-UHFFFAOYSA-N 1 0 229.283 1.940 20 10 BDCDRO CC1(C)C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000841848805 583364591 /nfs/dbraw/zinc/36/45/91/583364591.db2.gz DXFKDUOCXYIDDQ-UHFFFAOYSA-N 1 0 247.342 1.022 20 10 BDCDRO CC1=NO[C@H](C[NH2+]Cc2c(C)cccc2O)C1 ZINC000895305425 583643136 /nfs/dbraw/zinc/64/31/36/583643136.db2.gz SDZBIJAWKCSQKB-NSHDSACASA-N 1 0 234.299 1.955 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCc3n[nH]cc3C2)c1 ZINC000857878178 588919047 /nfs/dbraw/zinc/91/90/47/588919047.db2.gz UNVCFHASCVVUNX-UHFFFAOYSA-N 1 0 243.310 1.982 20 10 BDCDRO CCOc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895647812 583699502 /nfs/dbraw/zinc/69/95/02/583699502.db2.gz MICMZWRJHWICFV-BXUZGUMPSA-N 1 0 249.310 1.358 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895656475 583701664 /nfs/dbraw/zinc/70/16/64/583701664.db2.gz YXAYCCFEAZUCEM-UKRRQHHQSA-N 1 0 246.354 1.628 20 10 BDCDRO COCC1C[NH+](Cc2cc(OC)ccc2O)C1 ZINC000895971098 583756153 /nfs/dbraw/zinc/75/61/53/583756153.db2.gz KVOTYRZYEGZUNW-UHFFFAOYSA-N 1 0 237.299 1.479 20 10 BDCDRO CC[N@H+](CCC(N)=O)Cc1cc(F)ccc1O ZINC000896712545 583826129 /nfs/dbraw/zinc/82/61/29/583826129.db2.gz QYUHJZPTHIRXLI-UHFFFAOYSA-N 1 0 240.278 1.229 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000897678370 584036597 /nfs/dbraw/zinc/03/65/97/584036597.db2.gz ASNUPLVHCVFXPY-MFKMUULPSA-N 1 0 221.300 1.513 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@@H](C)[C@H](O)C2)c1O ZINC000897680532 584037990 /nfs/dbraw/zinc/03/79/90/584037990.db2.gz SGAMOMRIGLTCBV-ZWNOBZJWSA-N 1 0 235.327 1.767 20 10 BDCDRO C[C@H](C[NH3+])C[NH2+]Cc1cccc(F)c1[O-] ZINC000841047942 584124510 /nfs/dbraw/zinc/12/45/10/584124510.db2.gz FEHLEGZDIDGLPT-MRVPVSSYSA-N 1 0 212.268 1.216 20 10 BDCDRO [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000841058273 584125963 /nfs/dbraw/zinc/12/59/63/584125963.db2.gz RJWQTQKSDMQWMA-WDEREUQCSA-N 1 0 238.306 1.891 20 10 BDCDRO Cn1cnc(C[NH2+][C@H]2CCc3cccc(O)c32)c1 ZINC000903351112 584755387 /nfs/dbraw/zinc/75/53/87/584755387.db2.gz HGSJBNARLGWKSI-LBPRGKRZSA-N 1 0 243.310 1.903 20 10 BDCDRO [NH3+]CC[C@@H]1CC[N@H+](Cc2cccc(F)c2[O-])C1 ZINC000904405450 584878616 /nfs/dbraw/zinc/87/86/16/584878616.db2.gz JANPNSPCACDTTR-SNVBAGLBSA-N 1 0 238.306 1.702 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H](CO)C2CC2)cc1 ZINC000734161569 584959209 /nfs/dbraw/zinc/95/92/09/584959209.db2.gz VSNZFTDNTAXVME-CQSZACIVSA-N 1 0 234.343 1.613 20 10 BDCDRO CC[C@@H](N[C@H]1CC[NH2+]C1)c1ccc(F)cc1O ZINC000817945164 584991955 /nfs/dbraw/zinc/99/19/55/584991955.db2.gz WARRLEVCSNVKJT-CMPLNLGQSA-N 1 0 238.306 1.934 20 10 BDCDRO C[C@H](CN)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000817966088 584992720 /nfs/dbraw/zinc/99/27/20/584992720.db2.gz GFAGOWMBBNIUMJ-PSASIEDQSA-N 1 0 206.289 1.316 20 10 BDCDRO CCC[N@H+](CC(N)=O)Cc1ccc(N(C)C)cc1 ZINC000746137218 585163638 /nfs/dbraw/zinc/16/36/38/585163638.db2.gz MHNTZFDNZJKNOL-UHFFFAOYSA-N 1 0 249.358 1.450 20 10 BDCDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000765794967 585492695 /nfs/dbraw/zinc/49/26/95/585492695.db2.gz GOLGTKMDZJJSCX-RYUDHWBXSA-N 1 0 248.326 1.397 20 10 BDCDRO COc1cccc(O)c1C[NH+]1CCSCC1 ZINC000768237354 585534405 /nfs/dbraw/zinc/53/44/05/585534405.db2.gz PLIZGBVOVUIYFZ-UHFFFAOYSA-N 1 0 239.340 1.950 20 10 BDCDRO C[C@@H]1CCC[N@@H+]1Cc1cc2c(cc1O)OC[C@H]2O ZINC000768465785 585539107 /nfs/dbraw/zinc/53/91/07/585539107.db2.gz LHKXTFYXLQIWMY-NOZJJQNGSA-N 1 0 249.310 1.802 20 10 BDCDRO C[N@H+](Cc1cn[nH]c1)Cc1ccccc1O ZINC000768872895 585545230 /nfs/dbraw/zinc/54/52/30/585545230.db2.gz LLBKTPOSDJYQJM-UHFFFAOYSA-N 1 0 217.272 1.747 20 10 BDCDRO COc1cccc(O)c1C[N@@H+]1CCCOCC1 ZINC000768889746 585545297 /nfs/dbraw/zinc/54/52/97/585545297.db2.gz QIRWTOUISXDANN-UHFFFAOYSA-N 1 0 237.299 1.623 20 10 BDCDRO NC(=O)C[C@@H]1CCCC[N@@H+]1Cc1ccccc1O ZINC000770509484 585575190 /nfs/dbraw/zinc/57/51/90/585575190.db2.gz ATXWDGFGCAOVIG-LBPRGKRZSA-N 1 0 248.326 1.622 20 10 BDCDRO CN(C)c1ccnc(NCc2ccccc2O)n1 ZINC000774522857 585660573 /nfs/dbraw/zinc/66/05/73/585660573.db2.gz APUIBBZMEKUNTF-UHFFFAOYSA-N 1 0 244.298 1.860 20 10 BDCDRO COc1cccc(O)c1C[N@H+](C)C[C@H](C)O ZINC000776521273 585699918 /nfs/dbraw/zinc/69/99/18/585699918.db2.gz OLDSYTPAMGMXSQ-VIFPVBQESA-N 1 0 225.288 1.213 20 10 BDCDRO CN1CCC[C@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000778949492 585742485 /nfs/dbraw/zinc/74/24/85/585742485.db2.gz JEKHFSJBIOWKSU-LBPRGKRZSA-N 1 0 248.326 1.445 20 10 BDCDRO C[C@@]1(CO)CCC[N@@H+]1Cc1cc(F)ccc1O ZINC000788435041 585923243 /nfs/dbraw/zinc/92/32/43/585923243.db2.gz DISOIGPMKPEQEV-ZDUSSCGKSA-N 1 0 239.290 1.878 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CCC[C@H](C)O ZINC000788524828 585926281 /nfs/dbraw/zinc/92/62/81/585926281.db2.gz VQPLOHZJKRAACG-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO COc1cccc(O)c1C[NH+]1CC(C)C1 ZINC000802651622 586307788 /nfs/dbraw/zinc/30/77/88/586307788.db2.gz UEUWQOBFZKQYMC-UHFFFAOYSA-N 1 0 207.273 1.853 20 10 BDCDRO Nc1ccc(CCNC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000817859015 586830990 /nfs/dbraw/zinc/83/09/90/586830990.db2.gz LTUSMIFPOJYLNS-ZDUSSCGKSA-N 1 0 247.342 1.055 20 10 BDCDRO C[C@@H](NCc1ccc2c(c1)CCO2)[C@@H]1CCC[NH2+]1 ZINC000817902855 586835979 /nfs/dbraw/zinc/83/59/79/586835979.db2.gz ZNNRTBVTYNACIH-RISCZKNCSA-N 1 0 246.354 1.852 20 10 BDCDRO C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)cc1[O-] ZINC000817934970 586843517 /nfs/dbraw/zinc/84/35/17/586843517.db2.gz DEGQFFIJEMJYHE-VIFPVBQESA-N 1 0 238.306 1.934 20 10 BDCDRO C[NH2+]CCC[NH2+][C@@H](C)c1ccc(F)cc1[O-] ZINC000817941355 586844905 /nfs/dbraw/zinc/84/49/05/586844905.db2.gz UABWZIBTKAQUIS-VIFPVBQESA-N 1 0 226.295 1.791 20 10 BDCDRO Oc1cccc2c1[C@@H](N[C@@H]1CCC[NH2+]C1)CC2 ZINC000817941953 586845002 /nfs/dbraw/zinc/84/50/02/586845002.db2.gz USIHIAPPXGQHCV-NEPJUHHUSA-N 1 0 232.327 1.721 20 10 BDCDRO C[C@H](N[C@@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817945302 586846331 /nfs/dbraw/zinc/84/63/31/586846331.db2.gz ZBPSFXMPMBJCFF-WCBMZHEXSA-N 1 0 224.279 1.544 20 10 BDCDRO C[C@@H](NC[C@@H]1CCC[NH2+]1)c1cc(F)ccc1O ZINC000817951620 586847897 /nfs/dbraw/zinc/84/78/97/586847897.db2.gz HOSVXMSNMAKAKG-KOLCDFICSA-N 1 0 238.306 1.934 20 10 BDCDRO Oc1cccc2c1[C@@H](NC[C@H]1CCC[NH2+]1)CC2 ZINC000817953600 586848901 /nfs/dbraw/zinc/84/89/01/586848901.db2.gz OXXXQNLHKJOAEM-NEPJUHHUSA-N 1 0 232.327 1.721 20 10 BDCDRO C[C@H]([NH2+]CCc1ccc(N)cc1)c1nccn1C ZINC000817955489 586849721 /nfs/dbraw/zinc/84/97/21/586849721.db2.gz BZQXXKUXISRLSQ-NSHDSACASA-N 1 0 244.342 1.896 20 10 BDCDRO C[C@H]1C[C@H](NC2C[NH2+]C2)c2c1c(F)ccc2O ZINC000817955443 586849725 /nfs/dbraw/zinc/84/97/25/586849725.db2.gz AVZBVQWXOLELBU-XVKPBYJWSA-N 1 0 236.290 1.641 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]CCc2ccc(N)cc2)CCO1 ZINC000817956437 586850341 /nfs/dbraw/zinc/85/03/41/586850341.db2.gz YYPPZWLLNXKDNF-RISCZKNCSA-N 1 0 234.343 1.968 20 10 BDCDRO C[C@@H]([NH2+]CCc1ccc(N)cc1)[C@H]1CCCO1 ZINC000817957874 586850820 /nfs/dbraw/zinc/85/08/20/586850820.db2.gz QIRNHEGRXCKETH-BXUZGUMPSA-N 1 0 234.343 1.968 20 10 BDCDRO CC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(F)cc1[O-] ZINC000817964945 586853678 /nfs/dbraw/zinc/85/36/78/586853678.db2.gz KBSKADQNZIZHQQ-LBPRGKRZSA-N 1 0 238.306 1.791 20 10 BDCDRO CCC[NH2+]CCN[C@H]1CCc2cccc(O)c21 ZINC000817963663 586853841 /nfs/dbraw/zinc/85/38/41/586853841.db2.gz WWUYSOKIMVMJEN-LBPRGKRZSA-N 1 0 234.343 1.969 20 10 BDCDRO C[C@H](C[NH3+])N[C@@H](C)c1ccc(N(C)C)cc1 ZINC000817966842 586854997 /nfs/dbraw/zinc/85/49/97/586854997.db2.gz WXTMJRLROFBMPS-MNOVXSKESA-N 1 0 221.348 1.750 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@@H]2CCOC2)cc1F ZINC000818236337 586881583 /nfs/dbraw/zinc/88/15/83/586881583.db2.gz PQDOGBGNNMOEQC-LLVKDONJSA-N 1 0 238.306 1.770 20 10 BDCDRO OCCC[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000825338940 587315718 /nfs/dbraw/zinc/31/57/18/587315718.db2.gz WXWQCBCVYFMAOP-GFCCVEGCSA-N 1 0 235.327 1.987 20 10 BDCDRO C[C@]12COC[C@@H]1C[N@H+](Cc1ccccc1O)C2 ZINC000827284723 587375056 /nfs/dbraw/zinc/37/50/56/587375056.db2.gz VWWDKNPTSINGSL-JSGCOSHPSA-N 1 0 233.311 1.861 20 10 BDCDRO C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(N)cc1 ZINC000832244125 587652179 /nfs/dbraw/zinc/65/21/79/587652179.db2.gz LFXGPATUEFHMLQ-LBPRGKRZSA-N 1 0 233.315 1.692 20 10 BDCDRO C[C@@H](CCCC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000834786803 587766865 /nfs/dbraw/zinc/76/68/65/587766865.db2.gz SUKGTHHAWPAQGT-NSHDSACASA-N 1 0 249.358 1.445 20 10 BDCDRO Cc1cc(N(C)C)ccc1CNC[C@H]1CCC[NH2+]1 ZINC000841036585 587938063 /nfs/dbraw/zinc/93/80/63/587938063.db2.gz RKJKIDGAVQQTFJ-CQSZACIVSA-N 1 0 247.386 1.903 20 10 BDCDRO CCN(CC)c1ccc(CN[C@H]2CC[NH2+]C2)cc1 ZINC000841045617 587939001 /nfs/dbraw/zinc/93/90/01/587939001.db2.gz ZCDZYVYGMCYQOM-AWEZNQCLSA-N 1 0 247.386 1.984 20 10 BDCDRO C[C@@H](C[NH3+])NC/C=C/c1ccc(N(C)C)cc1 ZINC000841067476 587942612 /nfs/dbraw/zinc/94/26/12/587942612.db2.gz ZLKRYKFIDBVGJG-ITKZLYELSA-N 1 0 233.359 1.703 20 10 BDCDRO CC[C@H]([NH3+])C[NH2+]Cc1cccc(C)c1O ZINC000841071342 587942674 /nfs/dbraw/zinc/94/26/74/587942674.db2.gz DJHNWRUUFDPJJT-NSHDSACASA-N 1 0 208.305 1.528 20 10 BDCDRO CC[NH2+][C@H](C)CNCc1cc(OC)ccc1O ZINC000841067055 587943121 /nfs/dbraw/zinc/94/31/21/587943121.db2.gz ZZVATBSLZVGQHS-SNVBAGLBSA-N 1 0 238.331 1.488 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000841078480 587945020 /nfs/dbraw/zinc/94/50/20/587945020.db2.gz RZPXWEUKXZMCLA-WDNDVIMCSA-N 1 0 231.343 1.060 20 10 BDCDRO COc1ccc(CN[C@@H](C)[C@@H](C)[NH3+])cc1C ZINC000841081934 587945086 /nfs/dbraw/zinc/94/50/86/587945086.db2.gz VQUJJCGESNGCGK-MNOVXSKESA-N 1 0 222.332 1.829 20 10 BDCDRO Cc1cccc(CN[C@@H]2CCCC[NH2+]C2)c1O ZINC000841090187 587945548 /nfs/dbraw/zinc/94/55/48/587945548.db2.gz MJUXPBLSWGRRME-CYBMUJFWSA-N 1 0 234.343 1.932 20 10 BDCDRO Oc1ccc(F)cc1CN[C@@H]1CCCC[NH2+]C1 ZINC000841090405 587946026 /nfs/dbraw/zinc/94/60/26/587946026.db2.gz OQBGADUQGHAIPB-GFCCVEGCSA-N 1 0 238.306 1.763 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@@](C)(O)C1)c1ccccc1O ZINC000841760660 587974350 /nfs/dbraw/zinc/97/43/50/587974350.db2.gz XOFGGIJJIBUVPN-BREBYQMCSA-N 1 0 221.300 1.956 20 10 BDCDRO CC(C)(C)[C@H](C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000841854895 587978300 /nfs/dbraw/zinc/97/83/00/587978300.db2.gz BRFJEMBAFOEUIL-LBPRGKRZSA-N 1 0 249.358 1.301 20 10 BDCDRO Nc1ccc(Cc2nc([C@@H]3CCC[NH2+]3)no2)cc1 ZINC000842644277 588047986 /nfs/dbraw/zinc/04/79/86/588047986.db2.gz UMDVFIUNBUWNPY-NSHDSACASA-N 1 0 244.298 1.667 20 10 BDCDRO CCOc1ccc(CN2CC[C@@H]([NH3+])C2)c(O)c1 ZINC000843045554 588075841 /nfs/dbraw/zinc/07/58/41/588075841.db2.gz UXUVONKJKSFTFN-LLVKDONJSA-N 1 0 236.315 1.324 20 10 BDCDRO Cc1cc(O)c(CN2CCC[C@H]([NH3+])C2)cc1C ZINC000843043844 588076102 /nfs/dbraw/zinc/07/61/02/588076102.db2.gz KYSYDQWGRCJGLV-ZDUSSCGKSA-N 1 0 234.343 1.932 20 10 BDCDRO Cc1cc(O)c(CN2CCC[NH2+]CC2)cc1C ZINC000843047754 588076282 /nfs/dbraw/zinc/07/62/82/588076282.db2.gz ZSIPRUMPPZXQII-UHFFFAOYSA-N 1 0 234.343 1.804 20 10 BDCDRO CCOc1ccc(O)c(CN(C)CC[NH2+]C)c1 ZINC000843057689 588077721 /nfs/dbraw/zinc/07/77/21/588077721.db2.gz RGFPGIGNCDOHJX-UHFFFAOYSA-N 1 0 238.331 1.442 20 10 BDCDRO C[NH2+]C[C@@H]1CCCN1Cc1cccc(F)c1O ZINC000843056158 588078114 /nfs/dbraw/zinc/07/81/14/588078114.db2.gz VTQXVSXKDPPXBG-NSHDSACASA-N 1 0 238.306 1.715 20 10 BDCDRO CCn1nncc1C[NH2+][C@H](C)c1ccccc1O ZINC000845990991 588252816 /nfs/dbraw/zinc/25/28/16/588252816.db2.gz SOKKUBYXECOXNG-SNVBAGLBSA-N 1 0 246.314 1.854 20 10 BDCDRO OC[C@@H](CCF)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000846210319 588259802 /nfs/dbraw/zinc/25/98/02/588259802.db2.gz XZNCRZMAPNEVPG-MNOVXSKESA-N 1 0 239.290 1.690 20 10 BDCDRO C[C@H]([NH2+][C@@H](CO)CCF)c1ccccc1O ZINC000846207676 588259884 /nfs/dbraw/zinc/25/98/84/588259884.db2.gz BCJSORLFVRDVDB-VHSXEESVSA-N 1 0 227.279 1.763 20 10 BDCDRO CCc1cccc(C[NH2+][C@H](CO)CCF)c1O ZINC000848918723 588420714 /nfs/dbraw/zinc/42/07/14/588420714.db2.gz JNMCZADOOVPYEO-LBPRGKRZSA-N 1 0 241.306 1.765 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]C/C=C/CO)c1O ZINC000850510217 588554501 /nfs/dbraw/zinc/55/45/01/588554501.db2.gz VZCLDENULHUBDD-FSIBCCDJSA-N 1 0 237.299 1.600 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CC2(CO)CC2)c1 ZINC000118906770 589204390 /nfs/dbraw/zinc/20/43/90/589204390.db2.gz AVTDHBGLNVEFFV-UHFFFAOYSA-N 1 0 221.300 1.563 20 10 BDCDRO Oc1ccc(F)cc1CN1CC2(C1)CCCO2 ZINC000862484138 589217122 /nfs/dbraw/zinc/21/71/22/589217122.db2.gz DGTUCYHPZLAEEU-UHFFFAOYSA-N 1 0 237.274 1.896 20 10 BDCDRO Cc1cccc(CN[C@@H]2CC[C@@H](C)[NH2+]C2)c1O ZINC000863483821 589293062 /nfs/dbraw/zinc/29/30/62/589293062.db2.gz DULUZDOYRXOHSY-DGCLKSJQSA-N 1 0 234.343 1.931 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2cccc(F)c2O)C[NH2+]1 ZINC000863485160 589293410 /nfs/dbraw/zinc/29/34/10/589293410.db2.gz VOQLEKYPDSZJMO-MWLCHTKSSA-N 1 0 238.306 1.761 20 10 BDCDRO Cc1cccc(CN[C@@H]2CC[NH2+][C@H]2C)c1O ZINC000863487672 589293658 /nfs/dbraw/zinc/29/36/58/589293658.db2.gz TXBUMDBTFLVJMS-CMPLNLGQSA-N 1 0 220.316 1.541 20 10 BDCDRO Cn1ccc(C[NH2+]CCc2ccc(N)cc2)c1 ZINC000863641934 589306293 /nfs/dbraw/zinc/30/62/93/589306293.db2.gz MPOCBXAYYMYSEN-UHFFFAOYSA-N 1 0 229.327 1.940 20 10 BDCDRO COc1ccc(CNC(=[NH2+])N[C@@H]2C[C@H]2C)c(O)c1 ZINC000864465427 589371065 /nfs/dbraw/zinc/37/10/65/589371065.db2.gz WJGUAGWULLINKN-LDYMZIIASA-N 1 0 249.314 1.423 20 10 BDCDRO C[C@@H](NC(=O)[C@@H](C)[NH2+]C1CC1)c1ccccc1O ZINC000870988614 589706731 /nfs/dbraw/zinc/70/67/31/589706731.db2.gz VATPWBINCHFODC-NXEZZACHSA-N 1 0 248.326 1.710 20 10 BDCDRO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1ccccc1O ZINC000870988336 589706905 /nfs/dbraw/zinc/70/69/05/589706905.db2.gz MTFFTBCUXMCUJH-AEJSXWLSSA-N 1 0 236.315 1.553 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccccc1O ZINC000870988562 589706907 /nfs/dbraw/zinc/70/69/07/589706907.db2.gz SNMSONWTUKBZNJ-RNCFNFMXSA-N 1 0 248.326 1.697 20 10 BDCDRO CC(C)[NH2+]CC(=O)N[C@H](C)c1ccccc1O ZINC000870988682 589707053 /nfs/dbraw/zinc/70/70/53/589707053.db2.gz XAADAUNNRPCACB-SNVBAGLBSA-N 1 0 236.315 1.567 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CCOC[C@H]1O)CC2 ZINC000872139329 589880374 /nfs/dbraw/zinc/88/03/74/589880374.db2.gz BSQITMFZXUSZIA-NTZNESFSSA-N 1 0 249.310 1.119 20 10 BDCDRO COc1cccc(C[NH2+]CC(C)(C)CO)c1O ZINC000124324054 589976560 /nfs/dbraw/zinc/97/65/60/589976560.db2.gz SPNPVNWBBPDDCW-UHFFFAOYSA-N 1 0 239.315 1.509 20 10 BDCDRO CC(C)[C@H](C[NH3+])CNc1ccc(N)cc1 ZINC000873210572 589993969 /nfs/dbraw/zinc/99/39/69/589993969.db2.gz KGPWTIFSUFGIND-SNVBAGLBSA-N 1 0 207.321 1.912 20 10 BDCDRO Cc1cccc(C[NH2+]CCn2ccnc2)c1O ZINC000124663350 590071170 /nfs/dbraw/zinc/07/11/70/590071170.db2.gz UTHQSMLBCOFCHY-UHFFFAOYSA-N 1 0 231.299 1.687 20 10 BDCDRO COc1ccc(N(C)CC[NH3+])cc1Cl ZINC000020239737 590091024 /nfs/dbraw/zinc/09/10/24/590091024.db2.gz SLPKTNUERIFXBF-UHFFFAOYSA-N 1 0 214.696 1.744 20 10 BDCDRO Cc1ccc(C[N@@H+]2CCC[C@H](CO)C2)c(O)c1 ZINC000876509730 590205044 /nfs/dbraw/zinc/20/50/44/590205044.db2.gz HBHPYACLTUKSBM-LBPRGKRZSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1ccc(C[NH2+]CCc2cnn(C)c2)c(O)c1 ZINC000876955141 590260972 /nfs/dbraw/zinc/26/09/72/590260972.db2.gz SJPHQWIDQFLYKP-UHFFFAOYSA-N 1 0 245.326 1.766 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)c(O)c1 ZINC000876994116 590266121 /nfs/dbraw/zinc/26/61/21/590266121.db2.gz DFNVDOWTGBIHBE-LLVKDONJSA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CCN(C)C1 ZINC000877019729 590269932 /nfs/dbraw/zinc/26/99/32/590269932.db2.gz QACMBRFMRGQSAU-LLVKDONJSA-N 1 0 220.316 1.494 20 10 BDCDRO COC[C@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000877026280 590271052 /nfs/dbraw/zinc/27/10/52/590271052.db2.gz BMEQLRQNCMLZFI-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO CC(C)CC[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877074761 590278216 /nfs/dbraw/zinc/27/82/16/590278216.db2.gz RYSHBTGMJGXSGP-ZDUSSCGKSA-N 1 0 249.358 1.995 20 10 BDCDRO CN(C(=O)C[C@@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000877077930 590279066 /nfs/dbraw/zinc/27/90/66/590279066.db2.gz WQPPNCOPHDMRAE-JTQLQIEISA-N 1 0 233.315 1.231 20 10 BDCDRO Cc1ccc(C[NH2+]CCN2CCC2)c(O)c1 ZINC000877113006 590287383 /nfs/dbraw/zinc/28/73/83/590287383.db2.gz XPUXBHPZTJLAAE-UHFFFAOYSA-N 1 0 220.316 1.496 20 10 BDCDRO Cc1ccc(C[NH2+][C@](C)(CO)C2CC2)c(O)c1 ZINC000877159041 590294031 /nfs/dbraw/zinc/29/40/31/590294031.db2.gz REYSKXLKNXTSGX-CQSZACIVSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000877184003 590298386 /nfs/dbraw/zinc/29/83/86/590298386.db2.gz JYSGMWKGCRDJID-RYUDHWBXSA-N 1 0 235.327 1.903 20 10 BDCDRO C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccccc1O ZINC000877256474 590304264 /nfs/dbraw/zinc/30/42/64/590304264.db2.gz XAKQJTIXDZJIMU-BBBLOLIVSA-N 1 0 234.299 1.307 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)C[S@](C)=O ZINC000877310523 590312263 /nfs/dbraw/zinc/31/22/63/590312263.db2.gz NQQGBSLUTOYRMO-HWPZZCPQSA-N 1 0 241.356 1.557 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)C2(C)C)c(O)c1 ZINC000877430721 590326405 /nfs/dbraw/zinc/32/64/05/590326405.db2.gz POQAZVNFQOALQQ-STQMWFEESA-N 1 0 235.327 1.950 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000877433985 590327649 /nfs/dbraw/zinc/32/76/49/590327649.db2.gz LCLVUBDQFLSKHU-WCQYABFASA-N 1 0 235.327 1.903 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1c(C)cccc1O ZINC000877469787 590335216 /nfs/dbraw/zinc/33/52/16/590335216.db2.gz ZEWOGWVUMVLTAD-UHFFFAOYSA-N 1 0 222.288 1.008 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000877545081 590353349 /nfs/dbraw/zinc/35/33/49/590353349.db2.gz GDLOQIRYVKWHOB-ITGUQSILSA-N 1 0 233.311 1.371 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccc(C)cc1O)[C@H](C)O ZINC000877567832 590361547 /nfs/dbraw/zinc/36/15/47/590361547.db2.gz BUIQKSBWIALVJN-JQWIXIFHSA-N 1 0 223.316 1.950 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1 ZINC000877574659 590362702 /nfs/dbraw/zinc/36/27/02/590362702.db2.gz REZSSILBFQABBH-WDEREUQCSA-N 1 0 248.326 1.444 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2CCCNC2=O)c(O)c1 ZINC000877586937 590368087 /nfs/dbraw/zinc/36/80/87/590368087.db2.gz YLATXURFIABTTC-GFCCVEGCSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1ccc(C[NH2+]C2(C(=O)N(C)C)CC2)c(O)c1 ZINC000877588813 590369496 /nfs/dbraw/zinc/36/94/96/590369496.db2.gz ZBNHIQOXHAMERB-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2CC[C@H]2O)c(O)c1 ZINC000877597638 590371507 /nfs/dbraw/zinc/37/15/07/590371507.db2.gz SMCBGFONONNNRU-GHMZBOCLSA-N 1 0 207.273 1.314 20 10 BDCDRO CCn1nncc1C[NH2+]Cc1c(C)cccc1O ZINC000877648789 590383981 /nfs/dbraw/zinc/38/39/81/590383981.db2.gz VNWVTAPSFZWKQV-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO CC(=O)N1CC[C@@H]([NH2+]Cc2c(C)cccc2O)C1 ZINC000877646565 590384149 /nfs/dbraw/zinc/38/41/49/590384149.db2.gz JYOSWEROAJMCLT-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(C[NH2+]CC[C@@H](O)C(F)F)c(O)c1 ZINC000877676784 590389952 /nfs/dbraw/zinc/38/99/52/590389952.db2.gz GFTLMKVEJASKDW-SNVBAGLBSA-N 1 0 245.269 1.806 20 10 BDCDRO COC(=O)C1CC([NH2+]Cc2cccc(C)c2O)C1 ZINC000877721701 590401710 /nfs/dbraw/zinc/40/17/10/590401710.db2.gz ZERWDJJXOSCJLH-UHFFFAOYSA-N 1 0 249.310 1.742 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000131533269 591618306 /nfs/dbraw/zinc/61/83/06/591618306.db2.gz IIFMUYAWEHWMMS-SECBINFHSA-N 1 0 219.288 1.207 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CCC[C@@H]1O)c1ccccc1O ZINC000134812063 591952270 /nfs/dbraw/zinc/95/22/70/591952270.db2.gz GJRWTRFGDASHGU-CDMKHQONSA-N 1 0 221.300 1.956 20 10 BDCDRO C[C@@H]1CN(Cc2ccc(N(C)C)cc2)C[C@H]1[NH3+] ZINC000300048538 592501670 /nfs/dbraw/zinc/50/16/70/592501670.db2.gz LBKIXPNWTVAPAT-BXUZGUMPSA-N 1 0 233.359 1.532 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CCOC2)c1 ZINC000087416133 631478680 /nfs/dbraw/zinc/47/86/80/631478680.db2.gz FVRYQPUOCPWYCW-SNVBAGLBSA-N 1 0 223.272 1.279 20 10 BDCDRO CN(C)c1ccc(C[N@@H+]2CC[C@@H]2CO)cc1 ZINC000934014716 631588246 /nfs/dbraw/zinc/58/82/46/631588246.db2.gz NZZMRLSJGGEPKB-CYBMUJFWSA-N 1 0 220.316 1.319 20 10 BDCDRO Cc1cc(C[N@@H+]2CC[C@@H]2CO)ccc1N(C)C ZINC000934019357 631618509 /nfs/dbraw/zinc/61/85/09/631618509.db2.gz PLOSJVAVOXURCI-CYBMUJFWSA-N 1 0 234.343 1.628 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2cccc(F)c2O)C1 ZINC000309559481 632495852 /nfs/dbraw/zinc/49/58/52/632495852.db2.gz NYCQOIBPNHCUNS-VIFPVBQESA-N 1 0 210.252 1.064 20 10 BDCDRO OC[C@@H]([NH2+]Cc1cc(F)ccc1O)C1CC1 ZINC000309580577 632545588 /nfs/dbraw/zinc/54/55/88/632545588.db2.gz QFZIMLMKUJXIER-LLVKDONJSA-N 1 0 225.263 1.392 20 10 BDCDRO COCC1([NH2+]Cc2cccc(C)c2O)CC1 ZINC000309671330 632637661 /nfs/dbraw/zinc/63/76/61/632637661.db2.gz WAUIGLQOBBLASU-UHFFFAOYSA-N 1 0 221.300 1.969 20 10 BDCDRO C[C@@]1(C(=O)NCc2ccccc2O)CCC[NH2+]1 ZINC000166203129 633108819 /nfs/dbraw/zinc/10/88/19/633108819.db2.gz NJUXDHXVOJABJV-ZDUSSCGKSA-N 1 0 234.299 1.151 20 10 BDCDRO OC[C@]12C[C@H]1C[N@H+](Cc1cc(F)ccc1O)C2 ZINC000783737984 633161392 /nfs/dbraw/zinc/16/13/92/633161392.db2.gz ASOILFOSERJYIN-GXFFZTMASA-N 1 0 237.274 1.346 20 10 BDCDRO OC[C@@H]1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000294100232 633752831 /nfs/dbraw/zinc/75/28/31/633752831.db2.gz RZZTZBIDJZAPRL-GFCCVEGCSA-N 1 0 235.327 1.987 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)O)cc1C ZINC000309936007 633961333 /nfs/dbraw/zinc/96/13/33/633961333.db2.gz ZUSGYLOKECPAIM-WDEREUQCSA-N 1 0 223.316 1.863 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)C(C)(C)O)c1O ZINC000309779555 634004982 /nfs/dbraw/zinc/00/49/82/634004982.db2.gz MPDLTCPQGDYCTR-JTQLQIEISA-N 1 0 223.316 1.950 20 10 BDCDRO C[NH2+][C@H]1CCCN(Cc2ccccc2O)C1 ZINC000053201578 634072477 /nfs/dbraw/zinc/07/24/77/634072477.db2.gz QRDBOWAMQSERFB-LBPRGKRZSA-N 1 0 220.316 1.576 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)CO)c1O ZINC000162671532 634273027 /nfs/dbraw/zinc/27/30/27/634273027.db2.gz KBECCLUOTJTVEC-QWRGUYRKSA-N 1 0 223.316 1.807 20 10 BDCDRO CC1(C)[NH2+]CC[C@@H]1NCCc1ccc(N)cc1 ZINC000925691784 634320295 /nfs/dbraw/zinc/32/02/95/634320295.db2.gz JTSGSAVAYOCCAL-ZDUSSCGKSA-N 1 0 233.359 1.541 20 10 BDCDRO COc1ccc(N(C)C[C@H]2CC[NH2+]C2)cc1F ZINC000258854552 635213543 /nfs/dbraw/zinc/21/35/43/635213543.db2.gz IEPBHUDWOLWMGH-JTQLQIEISA-N 1 0 238.306 1.880 20 10 BDCDRO [NH3+][C@H]1CCC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000259024267 635234104 /nfs/dbraw/zinc/23/41/04/635234104.db2.gz OGXBHZJNOYARLE-QWHCGFSZSA-N 1 0 232.327 1.591 20 10 BDCDRO Nc1ccc(CC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000238062936 635620863 /nfs/dbraw/zinc/62/08/63/635620863.db2.gz ILWQDIZEBVXFOC-LBPRGKRZSA-N 1 0 247.342 1.009 20 10 BDCDRO C[C@@H]1C(=O)N[C@@H](C)[C@H](C)[N@H+]1Cc1ccccc1O ZINC000895117520 636065696 /nfs/dbraw/zinc/06/56/96/636065696.db2.gz VQQCMSYZAWLOIH-GARJFASQSA-N 1 0 248.326 1.490 20 10 BDCDRO CCc1cccc(C[NH2+][C@H]2C[C@H](CO)C2)c1O ZINC000897355430 636378360 /nfs/dbraw/zinc/37/83/60/636378360.db2.gz QYMFAYSGRGDHBL-MJHDQNEOSA-N 1 0 235.327 1.815 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C1CC(CCO)C1 ZINC000898010129 636851310 /nfs/dbraw/zinc/85/13/10/636851310.db2.gz GBJDIDIZRNMYCS-UHFFFAOYSA-N 1 0 235.327 1.951 20 10 BDCDRO C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000841064777 636972596 /nfs/dbraw/zinc/97/25/96/636972596.db2.gz JLAWDFRSBBKWGC-RISCZKNCSA-N 1 0 246.354 1.852 20 10 BDCDRO CC1(C)C[NH2+]C[C@H]1NCc1cccc(F)c1O ZINC000904461862 637406701 /nfs/dbraw/zinc/40/67/01/637406701.db2.gz KTRXUMMPKREXMU-LLVKDONJSA-N 1 0 238.306 1.619 20 10 BDCDRO CCOc1cccc(C[NH2+]CC2([NH3+])CC2)c1O ZINC000904449729 637413796 /nfs/dbraw/zinc/41/37/96/637413796.db2.gz KMVMTNVGXKJIEF-UHFFFAOYSA-N 1 0 236.315 1.372 20 10 BDCDRO C[NH2+][C@@H]1CCN(Cc2c(O)cccc2Cl)C1 ZINC000150075301 639299046 /nfs/dbraw/zinc/29/90/46/639299046.db2.gz PKILYXKCDGUNCD-SECBINFHSA-N 1 0 240.734 1.839 20 10 BDCDRO C[NH2+]C1(C(=O)Nc2ccc(N)cc2)CCC1 ZINC000911661537 639694115 /nfs/dbraw/zinc/69/41/15/639694115.db2.gz WLYSZQANDBADOF-UHFFFAOYSA-N 1 0 219.288 1.349 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H](C)C[C@@H](C)O)c1 ZINC000164504061 640489150 /nfs/dbraw/zinc/48/91/50/640489150.db2.gz CPTHIUNDRQPSNZ-GHMZBOCLSA-N 1 0 223.316 1.950 20 10 BDCDRO COC1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000230689985 641086821 /nfs/dbraw/zinc/08/68/21/641086821.db2.gz VISHEDMAZOGAOL-UHFFFAOYSA-N 1 0 233.311 1.889 20 10 BDCDRO Cn1nccc1CC[NH2+]Cc1cccc(F)c1[O-] ZINC000231036693 641128099 /nfs/dbraw/zinc/12/80/99/641128099.db2.gz WGERUZSNWNODMS-UHFFFAOYSA-N 1 0 249.289 1.597 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cnn(C)c2)c1 ZINC000041158949 641542399 /nfs/dbraw/zinc/54/23/99/641542399.db2.gz RZTUCQHYYPDEOU-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO COc1ccc(C[NH2+][C@@H](C)[C@@H](C)OC)c(O)c1 ZINC000189109030 641787104 /nfs/dbraw/zinc/78/71/04/641787104.db2.gz PRSUEIAYVYYFIK-VHSXEESVSA-N 1 0 239.315 1.914 20 10 BDCDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)Cc1ccc(N)cc1 ZINC000237598283 642720142 /nfs/dbraw/zinc/72/01/42/642720142.db2.gz QYYKDHPTONFRNY-GXFFZTMASA-N 1 0 247.342 1.150 20 10 BDCDRO C[C@H]1CCC[N@H+](Cc2ccccc2O)[C@@H]1CN ZINC000070175711 642987491 /nfs/dbraw/zinc/98/74/91/642987491.db2.gz YSGNHAYMMQYRNB-WCQYABFASA-N 1 0 234.343 1.951 20 10 BDCDRO CCOc1ccc(O)c(CN2CC[NH2+]CC2)c1 ZINC000071455128 643147654 /nfs/dbraw/zinc/14/76/54/643147654.db2.gz YQAAOGOSYWWBKW-UHFFFAOYSA-N 1 0 236.315 1.196 20 10 BDCDRO CCOc1cccc(CN(CC)CC[NH3+])c1O ZINC000306044622 643286359 /nfs/dbraw/zinc/28/63/59/643286359.db2.gz UTOGLNXTPUXNKD-UHFFFAOYSA-N 1 0 238.331 1.572 20 10 BDCDRO Oc1ccccc1C[NH2+]CC1(O)CCCC1 ZINC000082687294 643365307 /nfs/dbraw/zinc/36/53/07/643365307.db2.gz FWEFARZWUHVWMA-UHFFFAOYSA-N 1 0 221.300 1.787 20 10 BDCDRO COc1ccc(CN[C@@H]2CCC[NH2+]C2)cc1C ZINC000084529863 643665335 /nfs/dbraw/zinc/66/53/35/643665335.db2.gz WSRUNZXHQQNQOR-CYBMUJFWSA-N 1 0 234.343 1.845 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)[C@H](C)O ZINC000922130014 643866897 /nfs/dbraw/zinc/86/68/97/643866897.db2.gz WHIHQKWXLIRBRI-MNOVXSKESA-N 1 0 235.327 1.871 20 10 BDCDRO OCC1CC([NH2+]Cc2ccc3c(c2)CCCO3)C1 ZINC000922266369 643932451 /nfs/dbraw/zinc/93/24/51/643932451.db2.gz BXFQLLIEGCFIOR-UHFFFAOYSA-N 1 0 247.338 1.872 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC(=O)N2)c(O)c1 ZINC000079926269 644217931 /nfs/dbraw/zinc/21/79/31/644217931.db2.gz DTOOHDBWWZTLGN-MNOVXSKESA-N 1 0 248.326 1.630 20 10 BDCDRO Cc1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)ccc1N(C)C ZINC000923366136 644378460 /nfs/dbraw/zinc/37/84/60/644378460.db2.gz JUERLLQJZJKZRZ-TZMCWYRMSA-N 1 0 247.386 1.840 20 10 BDCDRO CC[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1ccccc1O ZINC000846046965 645392132 /nfs/dbraw/zinc/39/21/32/645392132.db2.gz RBUYHCYPMCUARF-UMNHJUIQSA-N 1 0 248.326 1.697 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](CO)CCF)c1O ZINC000846098391 645404468 /nfs/dbraw/zinc/40/44/68/645404468.db2.gz AYBOKINOVNCRCC-LLVKDONJSA-N 1 0 227.279 1.511 20 10 BDCDRO OC[C@H](CCF)[NH2+]Cc1cc(F)ccc1O ZINC000846097095 645405235 /nfs/dbraw/zinc/40/52/35/645405235.db2.gz DNBFWFRWSDIUOO-JTQLQIEISA-N 1 0 231.242 1.341 20 10 BDCDRO C[C@@H]1NCCC[C@@H]1[NH2+]CCc1ccc(N)cc1 ZINC000925689553 646415878 /nfs/dbraw/zinc/41/58/78/646415878.db2.gz BXKNOEXKDGFNJK-FZMZJTMJSA-N 1 0 233.359 1.541 20 10 BDCDRO C[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1cc(F)ccc1O ZINC000925783629 646479672 /nfs/dbraw/zinc/47/96/72/646479672.db2.gz KKGWIGRNWGVECJ-VDDIYKPWSA-N 1 0 238.306 1.790 20 10 BDCDRO CC[C@H]([NH2+][C@H]1CNOC1)c1ccc(C)cc1O ZINC000925865685 646518911 /nfs/dbraw/zinc/51/89/11/646518911.db2.gz HYJNAVSXPMXGHQ-JQWIXIFHSA-N 1 0 236.315 1.645 20 10 BDCDRO CC[C@H]([NH2+][C@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925868526 646519400 /nfs/dbraw/zinc/51/94/00/646519400.db2.gz RFBKZLREBVCEEA-JSGCOSHPSA-N 1 0 249.358 1.697 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1C[C@H](O)C1 ZINC000720894750 712876938 /nfs/dbraw/zinc/87/69/38/712876938.db2.gz YBLFTQAIQBTAMX-JLIMDTESSA-N 1 0 225.263 1.392 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2ccc(N(C)C)cc2)C[NH2+]1 ZINC000399000020 711417651 /nfs/dbraw/zinc/41/76/51/711417651.db2.gz BPPGBQOCPDANQL-TZMCWYRMSA-N 1 0 247.386 1.983 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C1COCCOC1 ZINC000383684119 710602579 /nfs/dbraw/zinc/60/25/79/710602579.db2.gz RMSLGCLNNBXSQL-UHFFFAOYSA-N 1 0 241.262 1.036 20 10 BDCDRO CCC[N@H+](CC(N)=O)Cc1cc(C)ccc1O ZINC000383607658 710985089 /nfs/dbraw/zinc/98/50/89/710985089.db2.gz RVXSEBMAAJUORA-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO CC[C@@H]([NH2+]Cc1ccccc1O)[C@@H](C)O ZINC000395372180 711208129 /nfs/dbraw/zinc/20/81/29/711208129.db2.gz VAVRPNFYCPEUKL-MWLCHTKSSA-N 1 0 209.289 1.641 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCNC(=O)CC1)c1ccccc1O ZINC000396670727 711365174 /nfs/dbraw/zinc/36/51/74/711365174.db2.gz YNNYPGLOUXRISB-WDEREUQCSA-N 1 0 248.326 1.712 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC2(N(C)C)CC2)cc1 ZINC000397855078 711393656 /nfs/dbraw/zinc/39/36/56/711393656.db2.gz LYOUOSBKMLJLEX-UHFFFAOYSA-N 1 0 247.386 1.936 20 10 BDCDRO C[C@@H]([NH2+]Cc1cnn[nH]1)c1ccccc1O ZINC000398319860 711407829 /nfs/dbraw/zinc/40/78/29/711407829.db2.gz YSHHTVNQAXGNTJ-MRVPVSSYSA-N 1 0 218.260 1.361 20 10 BDCDRO CC(C)[NH2+]CC(=O)NCc1ccccc1O ZINC000162968648 711748019 /nfs/dbraw/zinc/74/80/19/711748019.db2.gz FGBRQQVREBFLBW-UHFFFAOYSA-N 1 0 222.288 1.006 20 10 BDCDRO CCC[NH2+]CCNCc1ccc(N(C)C)cc1 ZINC000228719124 711835984 /nfs/dbraw/zinc/83/59/84/711835984.db2.gz WGKHEZCCAGOQJT-UHFFFAOYSA-N 1 0 235.375 1.842 20 10 BDCDRO CO[C@@](C)(CO)C[NH2+]Cc1cc(C)ccc1O ZINC000702514987 712054431 /nfs/dbraw/zinc/05/44/31/712054431.db2.gz UVILTCYBXHFGOE-CYBMUJFWSA-N 1 0 239.315 1.188 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2C[C@H](OC)C2)c1O ZINC000706498888 712147257 /nfs/dbraw/zinc/14/72/57/712147257.db2.gz YPJZDRRQEHIEJQ-XYPYZODXSA-N 1 0 237.299 1.668 20 10 BDCDRO OCC[NH2+]Cc1c(O)cccc1Br ZINC000706808777 712372219 /nfs/dbraw/zinc/37/22/19/712372219.db2.gz ZTSZDVAIELQXBK-UHFFFAOYSA-N 1 0 246.104 1.237 20 10 BDCDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000712619634 712438744 /nfs/dbraw/zinc/43/87/44/712438744.db2.gz YOYVYJNQEJXYQG-CQSZACIVSA-N 1 0 246.354 1.805 20 10 BDCDRO CCN1CC[C@@H]1C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000712529986 712441784 /nfs/dbraw/zinc/44/17/84/712441784.db2.gz OQMGZWHQABJWEL-OAHLLOKOSA-N 1 0 247.386 1.936 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1ccccc1O ZINC000712537139 712442592 /nfs/dbraw/zinc/44/25/92/712442592.db2.gz AMQNDKUIEYUIMF-QWRGUYRKSA-N 1 0 220.316 1.747 20 10 BDCDRO CCNC(=O)C[NH2+]Cc1cc(Cl)ccc1O ZINC000036780451 712494583 /nfs/dbraw/zinc/49/45/83/712494583.db2.gz WSALTRDLOGOZGE-UHFFFAOYSA-N 1 0 242.706 1.271 20 10 BDCDRO C[C@@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(N)=O ZINC000037261361 712560691 /nfs/dbraw/zinc/56/06/91/712560691.db2.gz BWNVFQBCNIUVPK-NXEZZACHSA-N 1 0 235.331 1.277 20 10 BDCDRO NC(=O)CC1CC([NH2+]Cc2ccccc2O)C1 ZINC000718426885 712760464 /nfs/dbraw/zinc/76/04/64/712760464.db2.gz YSWCBUUCLXSEMT-UHFFFAOYSA-N 1 0 234.299 1.136 20 10 BDCDRO Cc1cccc(C[NH2+][C@H]2CCN(C)[C@H]2C)c1O ZINC000719647668 712819923 /nfs/dbraw/zinc/81/99/23/712819923.db2.gz NZYNKOBMUYSWPU-AAEUAGOBSA-N 1 0 234.343 1.883 20 10 BDCDRO CN1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1 ZINC000393766357 959901824 /nfs/dbraw/zinc/90/18/24/959901824.db2.gz CAEZGBBVLKLTPD-GFCCVEGCSA-N 1 0 220.316 1.528 20 10 BDCDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000160800876 964846082 /nfs/dbraw/zinc/84/60/82/964846082.db2.gz NOIHHLLVZRFTGE-SSDOTTSWSA-N 1 0 242.706 1.399 20 10 BDCDRO CN(CCC[NH+](C)C)Cc1ccc(O)cc1O ZINC001204271635 978897152 /nfs/dbraw/zinc/89/71/52/978897152.db2.gz ATAQAJWTQGZONN-UHFFFAOYSA-N 1 0 238.331 1.481 20 10 BDCDRO C[C@@H]([NH2+]CCCSc1nccs1)[C@H](C)O ZINC001327976842 972839781 /nfs/dbraw/zinc/83/97/81/972839781.db2.gz AOTJTOWCOATBFE-BDAKNGLRSA-N 1 0 246.401 1.984 20 10 BDCDRO Nc1ccc(O[C@@H]2CCCC[NH2+]C2)cc1 ZINC001217967437 971551768 /nfs/dbraw/zinc/55/17/68/971551768.db2.gz AOAINJAVTVZPMK-GFCCVEGCSA-N 1 0 206.289 1.790 20 10 BDCDRO Cc1ccc(C)c(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c1O ZINC001140184550 957729756 /nfs/dbraw/zinc/72/97/56/957729756.db2.gz ZGNPFQGZJRSPSF-STQMWFEESA-N 1 0 246.354 1.897 20 10 BDCDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1cc(Cl)ccc1O ZINC000390602636 972373310 /nfs/dbraw/zinc/37/33/10/972373310.db2.gz WQAPTGINQRMYQW-KWQFWETISA-N 1 0 240.734 1.967 20 10 BDCDRO Nc1ccc(CN2CC[C@]3(C2)CCCC[NH2+]3)cc1 ZINC001222436410 972481018 /nfs/dbraw/zinc/48/10/18/972481018.db2.gz XNTWVGVWSNDJNJ-HNNXBMFYSA-N 1 0 245.370 1.987 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CCC[C@]23CCOC3)c1 ZINC001141160928 960414518 /nfs/dbraw/zinc/41/45/18/960414518.db2.gz JROIYZWMWZADDO-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO COC(=O)CC[N@H+](C)Cc1cc(C)ccc1O ZINC001140623931 960461956 /nfs/dbraw/zinc/46/19/56/960461956.db2.gz XPVRWMWVSRKIPZ-UHFFFAOYSA-N 1 0 237.299 1.696 20 10 BDCDRO Cc1c(O)ccc(C[NH+]2CC3(C2)CCOC3)c1O ZINC001140741846 960543547 /nfs/dbraw/zinc/54/35/47/960543547.db2.gz DPVQPKVCRSSDNP-UHFFFAOYSA-N 1 0 249.310 1.629 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2CCC3(COC3)C2)c1O ZINC001140743977 960544683 /nfs/dbraw/zinc/54/46/83/960544683.db2.gz HDVRZUMEMJUHMU-UHFFFAOYSA-N 1 0 249.310 1.629 20 10 BDCDRO Cc1c(O)ccc(C[N@@H+]2C[C@H](O)[C@@H](C)C2)c1O ZINC001140744220 960545397 /nfs/dbraw/zinc/54/53/97/960545397.db2.gz PUYWQUYKIJJMCS-UFBFGSQYSA-N 1 0 237.299 1.219 20 10 BDCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(O)c(C)c1O ZINC001140751493 960554937 /nfs/dbraw/zinc/55/49/37/960554937.db2.gz ZAWUNLWFGHDIFC-LBPRGKRZSA-N 1 0 249.310 1.960 20 10 BDCDRO Cc1ccc(C[N@H+]2C[C@@H]3C[C@H]2CN3C)c(O)c1 ZINC001140957707 960762534 /nfs/dbraw/zinc/76/25/34/960762534.db2.gz KKGSATLEMUSOOY-STQMWFEESA-N 1 0 232.327 1.589 20 10 BDCDRO CC1C[NH+](Cc2ccc3c(c2)OCCN3C)C1 ZINC001141140060 960887438 /nfs/dbraw/zinc/88/74/38/960887438.db2.gz HUJRADVSVQFQSZ-UHFFFAOYSA-N 1 0 232.327 1.967 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@@H](O)C2)c1 ZINC001141156256 960889868 /nfs/dbraw/zinc/88/98/68/960889868.db2.gz IQZCOYTYWVQBOE-PWSUYJOCSA-N 1 0 241.262 1.003 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3[C@@H](F)C2)c1 ZINC001141158181 960890326 /nfs/dbraw/zinc/89/03/26/960890326.db2.gz VNHFRSNHZQQDBW-UWJYBYFXSA-N 1 0 237.274 1.888 20 10 BDCDRO Oc1ccc(O)c(C[N@H+]2CCC[C@H](O)CC2)c1 ZINC001141156475 960891178 /nfs/dbraw/zinc/89/11/78/960891178.db2.gz LTYNAJYBTXVXAD-NSHDSACASA-N 1 0 237.299 1.445 20 10 BDCDRO COC[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141156937 960897421 /nfs/dbraw/zinc/89/74/21/960897421.db2.gz YIAHAXYIQFPFHD-JTQLQIEISA-N 1 0 237.299 1.566 20 10 BDCDRO CC(=O)[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141162598 960898465 /nfs/dbraw/zinc/89/84/65/960898465.db2.gz WUGMZMGYIWQBQN-JTQLQIEISA-N 1 0 235.283 1.509 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(O)ccc1O ZINC001141162986 960905053 /nfs/dbraw/zinc/90/50/53/960905053.db2.gz NLCKOPAJFNDFSX-JTQLQIEISA-N 1 0 223.272 1.319 20 10 BDCDRO C[C@H]1C[C@H]([NH2+]Cc2ccccc2O)CO1 ZINC000401968300 961688455 /nfs/dbraw/zinc/68/84/55/961688455.db2.gz IBLUXNBKZIKOMC-ONGXEEELSA-N 1 0 207.273 1.659 20 10 BDCDRO CN1CCOc2cc(CN3CC(C)([NH3+])C3)ccc21 ZINC001204979657 963303537 /nfs/dbraw/zinc/30/35/37/963303537.db2.gz HYJAOMFTAZOZGK-UHFFFAOYSA-N 1 0 247.342 1.048 20 10 BDCDRO COc1cccc(N)c1N[C@H]1CCC[C@H]([NH3+])C1 ZINC001162399776 964960508 /nfs/dbraw/zinc/96/05/08/964960508.db2.gz DPUASFGLTTZDHZ-UWVGGRQHSA-N 1 0 235.331 1.959 20 10 BDCDRO CCc1cc(OC)ccc1N(CC[NH3+])CCO ZINC001163832303 965601890 /nfs/dbraw/zinc/60/18/90/965601890.db2.gz LUJHUZMVMCNCHD-UHFFFAOYSA-N 1 0 238.331 1.015 20 10 BDCDRO Nc1ccc(CN2C[C@@H]3CC[C@@]3([NH3+])C2)cc1 ZINC001235986441 966202918 /nfs/dbraw/zinc/20/29/18/966202918.db2.gz DWEULTAJFZETLV-WCQYABFASA-N 1 0 217.316 1.192 20 10 BDCDRO [NH3+][C@]12CC[C@@H]1CN(Cc1cc(F)ccc1O)C2 ZINC001235994754 966214463 /nfs/dbraw/zinc/21/44/63/966214463.db2.gz QCJUIBPVYRBYJO-MFKMUULPSA-N 1 0 236.290 1.454 20 10 BDCDRO Cc1cccc(CN2C[C@@H]3C[C@]3([NH3+])C2)c1O ZINC001236022889 966236290 /nfs/dbraw/zinc/23/62/90/966236290.db2.gz AZBBGEVZXYDWHA-AAEUAGOBSA-N 1 0 218.300 1.234 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1ccccc1O ZINC001236865758 966599344 /nfs/dbraw/zinc/59/93/44/966599344.db2.gz ODNLXGBUTCNPBF-NSHDSACASA-N 1 0 208.305 1.561 20 10 BDCDRO C[C@H]1CCC[N@H+](Cc2ccccc2O)[C@@H]1CO ZINC001203549901 966673103 /nfs/dbraw/zinc/67/31/03/966673103.db2.gz BWQMQDVNVRMICU-WCQYABFASA-N 1 0 235.327 1.985 20 10 BDCDRO CC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1O ZINC001203562557 966692814 /nfs/dbraw/zinc/69/28/14/966692814.db2.gz LOWWNBTZJCVYPV-LBPRGKRZSA-N 1 0 219.284 1.946 20 10 BDCDRO COc1ccc(C[NH+]2CC(C3COC3)C2)c(O)c1 ZINC001203620975 966709647 /nfs/dbraw/zinc/70/96/47/966709647.db2.gz LUULWRWZIAVTOS-UHFFFAOYSA-N 1 0 249.310 1.479 20 10 BDCDRO COc1ccc(C[NH+]2CC3(C2)CCOC3)c(O)c1 ZINC001203621523 966711318 /nfs/dbraw/zinc/71/13/18/966711318.db2.gz WRTKPQYBFZCPMM-UHFFFAOYSA-N 1 0 249.310 1.623 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)cc1O ZINC001203882197 966810787 /nfs/dbraw/zinc/81/07/87/966810787.db2.gz GASAMNMJWCMENH-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO CN(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)C2)cc1 ZINC001203933666 966820798 /nfs/dbraw/zinc/82/07/98/966820798.db2.gz DQCCJRXLCVCBSV-HNNXBMFYSA-N 1 0 247.386 1.889 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC3(COC3)C2)cc1 ZINC001203929860 966823918 /nfs/dbraw/zinc/82/39/18/966823918.db2.gz HTJORWKNIDTDKR-UHFFFAOYSA-N 1 0 232.327 1.585 20 10 BDCDRO C[NH+]1CCN(c2ccc(C3=CCOC3)cc2)CC1 ZINC001239485770 966903606 /nfs/dbraw/zinc/90/36/06/966903606.db2.gz GKIZEQWVUJYCIH-UHFFFAOYSA-N 1 0 244.338 1.852 20 10 BDCDRO COCC[N@H+](Cc1ccc(O)cc1O)C(C)C ZINC001204274701 966949791 /nfs/dbraw/zinc/94/97/91/966949791.db2.gz GSRKQNTVEWMWPD-UHFFFAOYSA-N 1 0 239.315 1.955 20 10 BDCDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(O)cc1O ZINC001204276109 966951558 /nfs/dbraw/zinc/95/15/58/966951558.db2.gz GZEVJTWVKAFJHS-LDYMZIIASA-N 1 0 223.272 1.053 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)cc2O)CC[C@@H]1O ZINC001204276098 966953517 /nfs/dbraw/zinc/95/35/17/966953517.db2.gz GLLFPMKIAKDNBR-SKDRFNHKSA-N 1 0 237.299 1.301 20 10 BDCDRO OCC1CC[NH+](Cc2ccc(O)cc2O)CC1 ZINC001204276546 966958505 /nfs/dbraw/zinc/95/85/05/966958505.db2.gz MOVCKTXFHDVJMS-UHFFFAOYSA-N 1 0 237.299 1.302 20 10 BDCDRO C[C@@]1([NH3+])CCCN(Cc2ccc(N)cc2)C1 ZINC001204945049 967251569 /nfs/dbraw/zinc/25/15/69/967251569.db2.gz DTFYTQRLLSPLHZ-CYBMUJFWSA-N 1 0 219.332 1.582 20 10 BDCDRO Cc1cc(F)cc(CN2C[C@@H](C)[C@H]([NH3+])C2)c1O ZINC001206075611 968043720 /nfs/dbraw/zinc/04/37/20/968043720.db2.gz RWDRTGQOLMQLRO-BXKDBHETSA-N 1 0 238.306 1.619 20 10 BDCDRO [NH3+][C@H]1CCN(c2ccc3c(c2)C=CC3)C1 ZINC001164286618 968211326 /nfs/dbraw/zinc/21/13/26/968211326.db2.gz TWPCBXNGDAAQTA-LBPRGKRZSA-N 1 0 200.285 1.793 20 10 BDCDRO CC1=NO[C@@H](C[NH2+]Cc2cc(F)ccc2O)C1 ZINC000826567401 968669351 /nfs/dbraw/zinc/66/93/51/968669351.db2.gz XVIHQRWAUVPTKB-LLVKDONJSA-N 1 0 238.262 1.786 20 10 BDCDRO [NH3+]Cc1cc(NCc2ccc(O)c(O)c2)ccn1 ZINC001169995252 969973896 /nfs/dbraw/zinc/97/38/96/969973896.db2.gz WADWUXBPXMRTAS-UHFFFAOYSA-N 1 0 245.282 1.564 20 10 BDCDRO CN1CC[C@@H]([N@@H+]2CCc3cccc(O)c3C2)C1 ZINC001255444704 970180851 /nfs/dbraw/zinc/18/08/51/970180851.db2.gz OKJLJMKTACRNML-GFCCVEGCSA-N 1 0 232.327 1.454 20 10 BDCDRO COc1ccc(C[N@H+](C)C2CC2)c(O)c1 ZINC000179305932 970504390 /nfs/dbraw/zinc/50/43/90/970504390.db2.gz HSORMKIUYUAJGZ-UHFFFAOYSA-N 1 0 207.273 1.995 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@@](C)(O)C2)c(O)c1 ZINC000180199915 970532259 /nfs/dbraw/zinc/53/22/59/970532259.db2.gz WCZNXIUVCITQLU-CYBMUJFWSA-N 1 0 237.299 1.358 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@@H]2CO[C@@H](C)C2)c1 ZINC000402023697 970759694 /nfs/dbraw/zinc/75/96/94/970759694.db2.gz GDNVGJUMKWBRPY-ONGXEEELSA-N 1 0 237.299 1.668 20 10 BDCDRO [NH3+][C@@H]1CN(Cc2ccccc2O)CC(F)(F)C1 ZINC001206117950 972780698 /nfs/dbraw/zinc/78/06/98/972780698.db2.gz ZXKYJKSBOLUFLO-JTQLQIEISA-N 1 0 242.269 1.561 20 10 BDCDRO CC[N@H+](Cc1c(O)cc(O)cc1O)C1CC1 ZINC001144499172 972847084 /nfs/dbraw/zinc/84/70/84/972847084.db2.gz CZAWRUBLLGCUHF-UHFFFAOYSA-N 1 0 223.272 1.788 20 10 BDCDRO CC(C)[N@H+](C)Cc1c(O)cc(O)cc1O ZINC001144499394 972848127 /nfs/dbraw/zinc/84/81/27/972848127.db2.gz FSGAHWLLGBTNHF-UHFFFAOYSA-N 1 0 211.261 1.644 20 10 BDCDRO Cc1ccc(O)c2c1[C@H](C)C[C@H]2[NH2+][C@@H]1CNOC1 ZINC001332880544 975306357 /nfs/dbraw/zinc/30/63/57/975306357.db2.gz WWBASPXVIQSLDM-GMTAPVOTSA-N 1 0 248.326 1.742 20 10 BDCDRO C[NH2+][C@H]1CCCN(Cc2ccc(N)cc2)C1 ZINC001334775457 976645025 /nfs/dbraw/zinc/64/50/25/976645025.db2.gz YHMILKHXUWOLKS-ZDUSSCGKSA-N 1 0 219.332 1.453 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(N)cc2)[C@@H]1C ZINC001335290430 976932386 /nfs/dbraw/zinc/93/23/86/976932386.db2.gz WJWKAZAPSZOMAY-ZWNOBZJWSA-N 1 0 248.326 1.652 20 10 BDCDRO C[N@@H+]1CCC=C(Nc2cccc(O)c2O)C1 ZINC001175579139 977593373 /nfs/dbraw/zinc/59/33/73/977593373.db2.gz NXYSADFERDAKIG-UHFFFAOYSA-N 1 0 220.272 1.729 20 10 BDCDRO Nc1ccc(CN[C@@H](CC[NH3+])C(F)F)cc1 ZINC001336284774 977613751 /nfs/dbraw/zinc/61/37/51/977613751.db2.gz CSISPTQEWZPZAP-JTQLQIEISA-N 1 0 229.274 1.341 20 10 BDCDRO Cc1cccc(C[N@@H+]2CC[C@](C)(CO)C2)c1O ZINC001231590569 977640655 /nfs/dbraw/zinc/64/06/55/977640655.db2.gz AWXSGPTWADDKJH-AWEZNQCLSA-N 1 0 235.327 1.905 20 10 BDCDRO Cc1ccc(C[NH2+]C23CC(C(N)=O)(C2)C3)c(O)c1 ZINC001277567835 977752470 /nfs/dbraw/zinc/75/24/70/977752470.db2.gz IFQVZYIKWZTKPR-UHFFFAOYSA-N 1 0 246.310 1.198 20 10 BDCDRO Cc1ccc(C[NH+]2CC3(C[C@H]3C(N)=O)C2)c(O)c1 ZINC001277569503 977757582 /nfs/dbraw/zinc/75/75/82/977757582.db2.gz ZRUWECKPEOXOIC-NSHDSACASA-N 1 0 246.310 1.008 20 10 BDCDRO Cc1cc(C)c(C[N@H+]2C[C@@H](O)C[C@H]2C)c(O)c1 ZINC001231842541 977761367 /nfs/dbraw/zinc/76/13/67/977761367.db2.gz OAPKKSPYMSOHSD-NEPJUHHUSA-N 1 0 235.327 1.964 20 10 BDCDRO COCC[N@H+](C)Cc1cc(Cl)c(O)cc1O ZINC001232258811 977982196 /nfs/dbraw/zinc/98/21/96/977982196.db2.gz PWRLPXNEKYHLMB-UHFFFAOYSA-N 1 0 245.706 1.829 20 10 BDCDRO Oc1cc(O)c(C[NH+]2CCC(F)CC2)cc1O ZINC001233483222 978610718 /nfs/dbraw/zinc/61/07/18/978610718.db2.gz RCPDURGKRMAZKP-UHFFFAOYSA-N 1 0 241.262 1.737 20 10 BDCDRO CC[N@H+](CCC(=O)OC)Cc1ccc(N)cc1 ZINC000069318134 978711932 /nfs/dbraw/zinc/71/19/32/978711932.db2.gz ILEKBNMTGQHUSN-UHFFFAOYSA-N 1 0 236.315 1.654 20 10 BDCDRO Cc1ccc(O)c(CN2C[C@@H]([NH3+])C[C@H](F)C2)c1 ZINC001206425165 978923699 /nfs/dbraw/zinc/92/36/99/978923699.db2.gz UYGIFYFXSJLBGH-RYUDHWBXSA-N 1 0 238.306 1.572 20 10 BDCDRO CCN(C(=O)C1=CCC[NH2+]CC1)c1cnn(C)c1 ZINC001340574482 979037627 /nfs/dbraw/zinc/03/76/27/979037627.db2.gz SZLKBOYVFHOPJZ-UHFFFAOYSA-N 1 0 248.330 1.083 20 10 BDCDRO CC[C@H]1CN(Cc2ccc(N)cc2)CC[NH2+]1 ZINC001235731435 979140121 /nfs/dbraw/zinc/14/01/21/979140121.db2.gz WXRYCXNKJJXBMZ-ZDUSSCGKSA-N 1 0 219.332 1.453 20 10 BDCDRO CCc1ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c(O)c1 ZINC001235991531 979276478 /nfs/dbraw/zinc/27/64/78/979276478.db2.gz OJXFEIJQJBQZDZ-HIFRSBDPSA-N 1 0 246.354 1.878 20 10 BDCDRO [NH3+][C@@]12CC[C@@H]1CN(Cc1cc(O)ccc1O)C2 ZINC001235991234 979278353 /nfs/dbraw/zinc/27/83/53/979278353.db2.gz KSLPVTZRHNSMLL-ZWNOBZJWSA-N 1 0 234.299 1.021 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2c(O)cccc2F)C1 ZINC001236170053 979424504 /nfs/dbraw/zinc/42/45/04/979424504.db2.gz UJNGSKCQIWEYLC-MRVPVSSYSA-N 1 0 210.252 1.064 20 10 BDCDRO C[C@@H](NC(=O)[C@@H]1C[C@@H]1C[NH3+])c1ccccc1O ZINC001341540861 979459481 /nfs/dbraw/zinc/45/94/81/979459481.db2.gz JXQCBLVPAYOQGU-FXPVBKGRSA-N 1 0 234.299 1.164 20 10 BDCDRO Oc1cc(Cl)ccc1CN1C[C@H]2C[NH2+]C[C@H]21 ZINC001236284270 979487052 /nfs/dbraw/zinc/48/70/52/979487052.db2.gz HIQVGGJXWLHXJI-MWLCHTKSSA-N 1 0 238.718 1.449 20 10 BDCDRO Cc1cc(CN2C[C@@H]3C[NH2+]C[C@H]32)ccc1N(C)C ZINC001236286099 979489908 /nfs/dbraw/zinc/48/99/08/979489908.db2.gz KTRAKLWWKNJKTL-DZGCQCFKSA-N 1 0 245.370 1.465 20 10 BDCDRO Cc1cccc(CN2C[C@@H]3C[NH2+]C[C@H]32)c1O ZINC001236288546 979492280 /nfs/dbraw/zinc/49/22/80/979492280.db2.gz IFUNWUOCHNYZHR-NWDGAFQWSA-N 1 0 218.300 1.104 20 10 BDCDRO CCc1ccc(CN2CC([NH+](C)C)C2)c(O)c1 ZINC001236784679 979724047 /nfs/dbraw/zinc/72/40/47/979724047.db2.gz YIICXDCPHVPVJM-UHFFFAOYSA-N 1 0 234.343 1.700 20 10 BDCDRO CCc1ccc(C[N@@H+]2CCC[C@H]2C(N)=O)c(O)c1 ZINC001236781517 979725023 /nfs/dbraw/zinc/72/50/23/979725023.db2.gz FFTZQIMOCFSJEN-LBPRGKRZSA-N 1 0 248.326 1.404 20 10 BDCDRO CCc1ccc(C[N@H+](C)CC(=O)NC)c(O)c1 ZINC001236784380 979731090 /nfs/dbraw/zinc/73/10/90/979731090.db2.gz VQLHMXRZDDGXDM-UHFFFAOYSA-N 1 0 236.315 1.132 20 10 BDCDRO Cc1cccc(O)c1CN(C)C[C@H](C)[NH3+] ZINC001236909674 979785803 /nfs/dbraw/zinc/78/58/03/979785803.db2.gz VDIOBEPUTAONHS-JTQLQIEISA-N 1 0 208.305 1.480 20 10 BDCDRO Nc1ccc(CNC(=O)[C@@H]([NH3+])CC2CC2)cc1 ZINC001342699420 979870810 /nfs/dbraw/zinc/87/08/10/979870810.db2.gz LUGIABRJXUAANQ-LBPRGKRZSA-N 1 0 233.315 1.012 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@@H](C)C[C@H]1CO ZINC001237485802 979911791 /nfs/dbraw/zinc/91/17/91/979911791.db2.gz TVTCVEHYXUZTLQ-JQWIXIFHSA-N 1 0 235.327 1.903 20 10 BDCDRO Nc1ccc(CN[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC001352788102 982576664 /nfs/dbraw/zinc/57/66/64/982576664.db2.gz CAGZMZICBHPBFE-KGLIPLIRSA-N 1 0 231.343 1.643 20 10 BDCDRO Nc1ccc(CN[C@@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC001352788104 982578869 /nfs/dbraw/zinc/57/88/69/982578869.db2.gz CAGZMZICBHPBFE-ZIAGYGMSSA-N 1 0 231.343 1.643 20 10 BDCDRO CN(Cc1c[nH]cn1)Cc1ccc(N)cc1 ZINC001356083548 983571069 /nfs/dbraw/zinc/57/10/69/983571069.db2.gz SDZZHZKEWQZYQL-UHFFFAOYSA-N 1 0 216.288 1.624 20 10 BDCDRO Cc1nn(C)c(C)c1C[NH2+]Cc1ccc(N)cc1 ZINC001356083487 983571647 /nfs/dbraw/zinc/57/16/47/983571647.db2.gz PIZOOTFAJXFZHK-UHFFFAOYSA-N 1 0 244.342 1.909 20 10 BDCDRO CC[N@H+](CCO)Cc1c(C)cc(OC)cc1O ZINC001462017522 986262514 /nfs/dbraw/zinc/26/25/14/986262514.db2.gz VADOSOCBUSLHCK-UHFFFAOYSA-N 1 0 239.315 1.523 20 10 BDCDRO COc1cc(C)c(C[NH2+]CCF)c(O)c1 ZINC001462168445 986302373 /nfs/dbraw/zinc/30/23/73/986302373.db2.gz GSHYSPOHNJIBHD-UHFFFAOYSA-N 1 0 213.252 1.768 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1ccc(Cl)cc1O ZINC001462191961 986307546 /nfs/dbraw/zinc/30/75/46/986307546.db2.gz WDVJAIDBYSBZJI-UHFFFAOYSA-N 1 0 242.706 1.353 20 10 BDCDRO Cc1ccc(C[N@H+]2CC[C@H](C)[C@H](O)C2)c(O)c1 ZINC001462203786 986315071 /nfs/dbraw/zinc/31/50/71/986315071.db2.gz YANIUUQRYWXAEB-SMDDNHRTSA-N 1 0 235.327 1.903 20 10 BDCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N2CC=CC2)cc1 ZINC001327979789 986420013 /nfs/dbraw/zinc/42/00/13/986420013.db2.gz XMCSHSNTDMJVAT-STQMWFEESA-N 1 0 246.354 1.922 20 10 BDCDRO Nc1ccc(C[NH2+][C@H]2CCNC(=O)CC2)cc1 ZINC001580445717 986853681 /nfs/dbraw/zinc/85/36/81/986853681.db2.gz RFIKSSJCFYPSBK-GFCCVEGCSA-N 1 0 233.315 1.027 20 10 BDCDRO CN(C)C1(C[NH2+]Cc2ccccc2O)CC1 ZINC000397767804 986999163 /nfs/dbraw/zinc/99/91/63/986999163.db2.gz KORNDMSJNNSVFL-UHFFFAOYSA-N 1 0 220.316 1.576 20 10 BDCDRO COC(=O)[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1O ZINC001116771991 987704229 /nfs/dbraw/zinc/70/42/29/987704229.db2.gz XUMFJJQFVQDQKZ-RYUDHWBXSA-N 1 0 249.310 1.824 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCOCCCO)c1 ZINC001323698581 988581514 /nfs/dbraw/zinc/58/15/14/988581514.db2.gz DAHFXUUVYHJYGK-UHFFFAOYSA-N 1 0 239.315 1.189 20 10 BDCDRO C[C@H](NC(=O)C1(C)C[NH2+]C1)c1ccccc1O ZINC001119056158 988821900 /nfs/dbraw/zinc/82/19/00/988821900.db2.gz KKIBXPOSCUJMGL-VIFPVBQESA-N 1 0 234.299 1.179 20 10 BDCDRO CC(C)C[NH2+]CC(=O)NCc1ccc(N)cc1 ZINC001515331748 989025806 /nfs/dbraw/zinc/02/58/06/989025806.db2.gz GMCKJQGJYBNXOH-UHFFFAOYSA-N 1 0 235.331 1.131 20 10 BDCDRO [NH3+]CCCCNC(=O)N1Cc2cccc(O)c2C1 ZINC001119477310 989099767 /nfs/dbraw/zinc/09/97/67/989099767.db2.gz UHNXFLMKDROSPE-UHFFFAOYSA-N 1 0 249.314 1.156 20 10 BDCDRO C[C@@H]1CCCN(Cc2ccc(N)cc2)[C@H]1C[NH3+] ZINC001120263966 989620839 /nfs/dbraw/zinc/62/08/39/989620839.db2.gz YGYDIFMYWQDIHU-RISCZKNCSA-N 1 0 233.359 1.828 20 10 BDCDRO Nc1ccc(C[N@@H+]2CC[C@H](n3cncn3)C2)cc1 ZINC001120268175 989621760 /nfs/dbraw/zinc/62/17/60/989621760.db2.gz BDDUVSMCFJYLSM-ZDUSSCGKSA-N 1 0 243.314 1.307 20 10 BDCDRO Nc1ccc(CN2CCCCC[C@H]([NH3+])C2)cc1 ZINC001120269260 989624816 /nfs/dbraw/zinc/62/48/16/989624816.db2.gz PPOPZDWFPUJORX-AWEZNQCLSA-N 1 0 233.359 1.972 20 10 BDCDRO C[C@@H]1CN(C)[C@@H](C)C[N@@H+]1Cc1ccc(N)cc1 ZINC001120371045 989639828 /nfs/dbraw/zinc/63/98/28/989639828.db2.gz NSKVUXFKFFFPJV-NWDGAFQWSA-N 1 0 233.359 1.793 20 10 BDCDRO CC[C@H](C)C[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC001122172275 990276437 /nfs/dbraw/zinc/27/64/37/990276437.db2.gz BLIHYHPTGDYKMA-GWCFXTLKSA-N 1 0 249.358 1.995 20 10 BDCDRO CN(Cc1c(O)cccc1F)[C@@H]1CC[N@H+](C)C1 ZINC001137837569 990855974 /nfs/dbraw/zinc/85/59/74/990855974.db2.gz MDCSMIMPRPBZNF-SNVBAGLBSA-N 1 0 238.306 1.667 20 10 BDCDRO CC[NH+]1CCN(Cc2c(O)cccc2F)CC1 ZINC001137831830 990856479 /nfs/dbraw/zinc/85/64/79/990856479.db2.gz PCOQRTMFJVUFBA-UHFFFAOYSA-N 1 0 238.306 1.669 20 10 BDCDRO CNC(=O)C[N@H+](C)Cc1c(C)ccc(C)c1O ZINC001140178205 991550185 /nfs/dbraw/zinc/55/01/85/991550185.db2.gz CJVJHKWOHSNVGY-UHFFFAOYSA-N 1 0 236.315 1.187 20 10 BDCDRO Cc1ccc(C)c(C[NH+]2CC(O)C2)c1O ZINC001140178518 991551204 /nfs/dbraw/zinc/55/12/04/991551204.db2.gz NLFSOSKCOTYVMF-UHFFFAOYSA-N 1 0 207.273 1.186 20 10 BDCDRO Cc1ccc(C)c(CN2CC3(CCO3)C2)c1O ZINC001140182690 991557146 /nfs/dbraw/zinc/55/71/46/991557146.db2.gz XITYGKJBHQKPBM-UHFFFAOYSA-N 1 0 233.311 1.984 20 10 BDCDRO C[C@@H](O)C[N@H+](C)Cc1ccc(Cl)cc1O ZINC001560853179 991621746 /nfs/dbraw/zinc/62/17/46/991621746.db2.gz SPJBWWAVJXRNRV-MRVPVSSYSA-N 1 0 229.707 1.858 20 10 BDCDRO C[C@@]1(NCc2cc(F)c(F)cc2O)CC[NH2+]C1 ZINC001573627303 992658617 /nfs/dbraw/zinc/65/86/17/992658617.db2.gz ZCEAUSTWDIWKQN-GFCCVEGCSA-N 1 0 242.269 1.512 20 10 BDCDRO Nc1ccc(CNC[C@H]([NH3+])C2CC2)cc1 ZINC001262487993 992892300 /nfs/dbraw/zinc/89/23/00/992892300.db2.gz MOBCVKWFKYKPCY-LBPRGKRZSA-N 1 0 205.305 1.096 20 10 BDCDRO CCN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000389110903 993737018 /nfs/dbraw/zinc/73/70/18/993737018.db2.gz AKEKOACUFONKFW-AWEZNQCLSA-N 1 0 246.354 1.805 20 10 BDCDRO CCN1CC[C@@H]([NH2+]Cc2cccc(O)c2O)C1 ZINC000389147132 993740312 /nfs/dbraw/zinc/74/03/12/993740312.db2.gz IMUGQMJCRFNXAC-LLVKDONJSA-N 1 0 236.315 1.282 20 10 BDCDRO Nc1ccc(CN2CCO[C@@H](CCF)C2)cc1 ZINC000700557519 993841796 /nfs/dbraw/zinc/84/17/96/993841796.db2.gz TUJODHAJRXAALH-ZDUSSCGKSA-N 1 0 238.306 1.829 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccc(N(C)C)cc2)C[C@@H]1O ZINC001307638542 995421742 /nfs/dbraw/zinc/42/17/42/995421742.db2.gz OZUNIUNADUHXBB-WFASDCNBSA-N 1 0 248.370 1.955 20 10 BDCDRO Cc1cc(O)c(C[N@H+](CCO)C2CC2)cc1C ZINC000271079218 178194918 /nfs/dbraw/zinc/19/49/18/178194918.db2.gz QEHMFXPSJNDUOD-UHFFFAOYSA-N 1 0 235.327 1.966 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H](O)C3(CC3)C2)cc1C ZINC000373515313 178195006 /nfs/dbraw/zinc/19/50/06/178195006.db2.gz JWXYCRQVNOBYGT-CQSZACIVSA-N 1 0 247.338 1.966 20 10 BDCDRO Cc1cc(O)c(CN2CCNC(=O)[C@H]2C)cc1C ZINC000123439899 178195540 /nfs/dbraw/zinc/19/55/40/178195540.db2.gz MZOLEOIKMNEBCH-LLVKDONJSA-N 1 0 248.326 1.329 20 10 BDCDRO Cc1cc(O)c(CN2CC(=O)N[C@H](C)C2)cc1C ZINC000295127927 178196064 /nfs/dbraw/zinc/19/60/64/178196064.db2.gz YDFVELAZHNWKQZ-LLVKDONJSA-N 1 0 248.326 1.329 20 10 BDCDRO CCOc1cccc(C[NH2+]CCCO)c1O ZINC000020187968 342975156 /nfs/dbraw/zinc/97/51/56/342975156.db2.gz WAGABYNOQJLGLK-UHFFFAOYSA-N 1 0 225.288 1.263 20 10 BDCDRO CCOc1cccc(C[NH2+][C@@H](CC)CO)c1O ZINC000020195031 342975702 /nfs/dbraw/zinc/97/57/02/342975702.db2.gz ISLXXYOOFICIMX-NSHDSACASA-N 1 0 239.315 1.651 20 10 BDCDRO CC[C@H]([NH2+]CCCO)c1ccccc1O ZINC000020188187 342975712 /nfs/dbraw/zinc/97/57/12/342975712.db2.gz UXMDTNUBKYZNRL-NSHDSACASA-N 1 0 209.289 1.815 20 10 BDCDRO CCOc1cccc(C[NH2+]C(C)(C)CO)c1O ZINC000020196437 342976255 /nfs/dbraw/zinc/97/62/55/342976255.db2.gz OJTVHVIVLBICLX-UHFFFAOYSA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@H](C[NH2+]Cc1ccccc1O)N(C)C ZINC000038088757 343060718 /nfs/dbraw/zinc/06/07/18/343060718.db2.gz IMETWNOLLUKPIG-SNVBAGLBSA-N 1 0 208.305 1.432 20 10 BDCDRO C[C@@H]([NH2+][C@@H](C)CO)c1ccc(N(C)C)cc1 ZINC000037258357 343341716 /nfs/dbraw/zinc/34/17/16/343341716.db2.gz BWVNROJIOMNVKB-WDEREUQCSA-N 1 0 222.332 1.784 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@H](CO)C2)c1O ZINC000092764288 343784862 /nfs/dbraw/zinc/78/48/62/343784862.db2.gz XYEWNBROQCPQAN-JTQLQIEISA-N 1 0 237.299 1.215 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CCN(C)CC2)c1 ZINC000034217515 178792146 /nfs/dbraw/zinc/79/21/46/178792146.db2.gz IGQYWSPZTBDXQL-UHFFFAOYSA-N 1 0 220.316 1.448 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@H]2CCCN2C)c1O ZINC000224569607 179093522 /nfs/dbraw/zinc/09/35/22/179093522.db2.gz SEGHZEJGPAPJNX-CYBMUJFWSA-N 1 0 234.343 1.884 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H](C)c2ncnn2C)c1O ZINC000276411310 179097439 /nfs/dbraw/zinc/09/74/39/179097439.db2.gz FILQQLLEUIGTFI-JTQLQIEISA-N 1 0 246.314 1.680 20 10 BDCDRO COc1ccc(N(C)C(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638382382 352191645 /nfs/dbraw/zinc/19/16/45/352191645.db2.gz TXYWNUSODDKHID-NSHDSACASA-N 1 0 246.310 1.706 20 10 BDCDRO CC[N@H+](Cc1ccccc1O)[C@H](C)CO ZINC000292680046 352326770 /nfs/dbraw/zinc/32/67/70/352326770.db2.gz APZYSPPQZJMINS-SNVBAGLBSA-N 1 0 209.289 1.595 20 10 BDCDRO [NH3+]CCC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000195171462 181367808 /nfs/dbraw/zinc/36/78/08/181367808.db2.gz AKACGOZVEKHILC-UHFFFAOYSA-N 1 0 247.342 1.252 20 10 BDCDRO CC(C)(C[NH2+][C@@H]1CCc2cccc(O)c21)C(N)=O ZINC000296766397 364784855 /nfs/dbraw/zinc/78/48/55/364784855.db2.gz KIAICKZQGBIELF-SNVBAGLBSA-N 1 0 248.326 1.481 20 10 BDCDRO OC[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000180026209 183122262 /nfs/dbraw/zinc/12/22/62/183122262.db2.gz HKOQCUSWJFARRP-SECBINFHSA-N 1 0 225.263 1.346 20 10 BDCDRO O[C@H]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000188849940 183241030 /nfs/dbraw/zinc/24/10/30/183241030.db2.gz TWVHGIWHVVOUHV-OCCSQVGLSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367690579 183275271 /nfs/dbraw/zinc/27/52/71/183275271.db2.gz UDXJULPDFHQTLL-CNDDSTCGSA-N 1 0 237.274 1.513 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCN1CCCC1 ZINC000226619007 183275279 /nfs/dbraw/zinc/27/52/79/183275279.db2.gz KASQBCITNCAPSE-UHFFFAOYSA-N 1 0 238.306 1.717 20 10 BDCDRO Oc1ccccc1C[NH+]1CCC2(CC1)OCCO2 ZINC000179556013 183301995 /nfs/dbraw/zinc/30/19/95/183301995.db2.gz JVLOWZXCXMJLSC-UHFFFAOYSA-N 1 0 249.310 1.731 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCSC1 ZINC000076642625 183303053 /nfs/dbraw/zinc/30/30/53/183303053.db2.gz BRWWFGWLMVPDPZ-JTQLQIEISA-N 1 0 209.314 1.987 20 10 BDCDRO C[C@H](CF)[NH2+]Cc1cc(F)ccc1O ZINC000290264107 383889283 /nfs/dbraw/zinc/88/92/83/383889283.db2.gz XAXKHBPALMUODW-SSDOTTSWSA-N 1 0 201.216 1.979 20 10 BDCDRO C[C@@H](CF)[NH2+]Cc1cc(F)ccc1O ZINC000290264108 383889442 /nfs/dbraw/zinc/88/94/42/383889442.db2.gz XAXKHBPALMUODW-ZETCQYMHSA-N 1 0 201.216 1.979 20 10 BDCDRO CCOCC[NH2+]Cc1cccc(OCC)c1O ZINC000036229022 383890445 /nfs/dbraw/zinc/89/04/45/383890445.db2.gz WNJIBRBPGYDLMW-UHFFFAOYSA-N 1 0 239.315 1.917 20 10 BDCDRO CCN(CC)c1ccc(C[NH2+]CC(=O)NC)cc1 ZINC000037207218 383956802 /nfs/dbraw/zinc/95/68/02/383956802.db2.gz SAITUMDKOGEVJE-UHFFFAOYSA-N 1 0 249.358 1.368 20 10 BDCDRO COC[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000070589892 384122137 /nfs/dbraw/zinc/12/21/37/384122137.db2.gz GCLLXKUDJSCVBT-UWVGGRQHSA-N 1 0 225.288 1.050 20 10 BDCDRO C[C@H]([NH2+]Cc1nccn1C)c1ccccc1O ZINC000071273072 384159982 /nfs/dbraw/zinc/15/99/82/384159982.db2.gz YYPMOROQHVKZLN-JTQLQIEISA-N 1 0 231.299 1.977 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]CCN2CCCC2)c1 ZINC000071406421 384165130 /nfs/dbraw/zinc/16/51/30/384165130.db2.gz CTXRPAJLBDAIMH-UHFFFAOYSA-N 1 0 234.343 1.886 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000092764595 384192783 /nfs/dbraw/zinc/19/27/83/384192783.db2.gz VEQYQCRGMKYXLI-NSHDSACASA-N 1 0 221.300 1.515 20 10 BDCDRO C[N@H+](CC(=O)N1CCCC1)Cc1ccccc1O ZINC000121145340 384401184 /nfs/dbraw/zinc/40/11/84/384401184.db2.gz GLNUAGICQSGJAZ-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO Cc1ccc([C@@H](C)[NH2+]C[C@@H](C)O)c(O)c1 ZINC000035601539 384411505 /nfs/dbraw/zinc/41/15/05/384411505.db2.gz YPIMBHDITIXSNT-NXEZZACHSA-N 1 0 209.289 1.732 20 10 BDCDRO CCN(CC)c1ccc(CN2CC[NH2+]CC2)cc1 ZINC000019726887 384534680 /nfs/dbraw/zinc/53/46/80/384534680.db2.gz VHOBJZNOFDFYFB-UHFFFAOYSA-N 1 0 247.386 1.938 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000020195331 384591659 /nfs/dbraw/zinc/59/16/59/384591659.db2.gz MBOKSNBRCAFLER-UWVGGRQHSA-N 1 0 239.315 1.822 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H](C)C[S@@](C)=O)c1 ZINC000164301378 384957660 /nfs/dbraw/zinc/95/76/60/384957660.db2.gz VZIPTOJJZANOFJ-QFYYESIMSA-N 1 0 241.356 1.557 20 10 BDCDRO Cn1cncc1C[N@H+](C)Cc1ccccc1O ZINC000177065176 385173059 /nfs/dbraw/zinc/17/30/59/385173059.db2.gz URBNJKSJZLFGOZ-UHFFFAOYSA-N 1 0 231.299 1.758 20 10 BDCDRO C[C@H](O)CCC[NH2+]Cc1ccccc1O ZINC000227959718 385297807 /nfs/dbraw/zinc/29/78/07/385297807.db2.gz NPCVAJAHXXVEAQ-JTQLQIEISA-N 1 0 209.289 1.643 20 10 BDCDRO C[C@H]([NH2+]CCCCO)c1cc(F)ccc1O ZINC000193283028 385390641 /nfs/dbraw/zinc/39/06/41/385390641.db2.gz IXVNBAXJYLILRD-VIFPVBQESA-N 1 0 227.279 1.954 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@@H]2CC(=O)N(C)C2)c1 ZINC000273564588 385856740 /nfs/dbraw/zinc/85/67/40/385856740.db2.gz JCVRFFBKBLRGON-WDEREUQCSA-N 1 0 248.326 1.582 20 10 BDCDRO CC(C)[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000283832480 385834790 /nfs/dbraw/zinc/83/47/90/385834790.db2.gz GXRBRWHLHUNUCY-ZDUSSCGKSA-N 1 0 223.316 1.841 20 10 BDCDRO CC(C)[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000283832455 385835383 /nfs/dbraw/zinc/83/53/83/385835383.db2.gz GXRBRWHLHUNUCY-CYBMUJFWSA-N 1 0 223.316 1.841 20 10 BDCDRO Cc1ccc(O)c(CN2CC(=O)NCC2(C)C)c1 ZINC000282881203 385792558 /nfs/dbraw/zinc/79/25/58/385792558.db2.gz YOCNIVMVXLBWRT-UHFFFAOYSA-N 1 0 248.326 1.411 20 10 BDCDRO CC[N@H+](CC(N)=O)Cc1ccc(N(C)C)c(C)c1 ZINC000294649854 385878929 /nfs/dbraw/zinc/87/89/29/385878929.db2.gz QMDUPFHHTRPRAG-UHFFFAOYSA-N 1 0 249.358 1.368 20 10 BDCDRO C[NH+](C)[C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000234241136 386034139 /nfs/dbraw/zinc/03/41/39/386034139.db2.gz DKWPAWNPESHYFB-LBPRGKRZSA-N 1 0 238.306 1.667 20 10 BDCDRO C[C@@H](C[NH2+]Cc1cc(F)ccc1O)N(C)C ZINC000226619571 386346616 /nfs/dbraw/zinc/34/66/16/386346616.db2.gz DJMXUNIXBOLXHS-VIFPVBQESA-N 1 0 226.295 1.571 20 10 BDCDRO C[C@](O)(C[NH2+]Cc1ccccc1O)c1ccco1 ZINC000266141049 386402742 /nfs/dbraw/zinc/40/27/42/386402742.db2.gz HECCGBIFXHXCAW-AWEZNQCLSA-N 1 0 247.294 1.983 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000122783611 386520059 /nfs/dbraw/zinc/52/00/59/386520059.db2.gz XFCSOBBTVUPZIU-JTQLQIEISA-N 1 0 235.331 1.106 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(F)c(F)c1[O-] ZINC000295987797 386708160 /nfs/dbraw/zinc/70/81/60/386708160.db2.gz PHEVGJFSEAUYGX-BIIVOSGPSA-N 1 0 243.253 1.844 20 10 BDCDRO CC[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296224280 386712350 /nfs/dbraw/zinc/71/23/50/386712350.db2.gz ZXIAQPFFUPNMQR-WDEREUQCSA-N 1 0 221.300 1.740 20 10 BDCDRO Cc1cc(C[N@H+](C)CCC(N)=O)ccc1N(C)C ZINC000293571187 386841158 /nfs/dbraw/zinc/84/11/58/386841158.db2.gz NABOXUPKSFJZAP-UHFFFAOYSA-N 1 0 249.358 1.368 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1cc(F)ccc1O ZINC000293749378 386871457 /nfs/dbraw/zinc/87/14/57/386871457.db2.gz WPXABYQLDFKOAZ-NSHDSACASA-N 1 0 225.263 1.752 20 10 BDCDRO C[C@H](C[NH3+])NCc1ccc2c(c1)CCO2 ZINC000162047238 387299421 /nfs/dbraw/zinc/29/94/21/387299421.db2.gz YDEKOGOSGFVSJZ-SECBINFHSA-N 1 0 206.289 1.058 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CC(=O)N(C)C2)c1 ZINC000264977738 387357059 /nfs/dbraw/zinc/35/70/59/387357059.db2.gz SWVHMRQKIXUGLI-NSHDSACASA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CCC(=O)N(C)C2)c1 ZINC000077900076 387917210 /nfs/dbraw/zinc/91/72/10/387917210.db2.gz WNSVWDFWZLIPMU-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO COC[C@H](O)CC[NH2+]Cc1cccc(C)c1O ZINC000224933010 387941559 /nfs/dbraw/zinc/94/15/59/387941559.db2.gz BWHUPOHPEJYIIJ-GFCCVEGCSA-N 1 0 239.315 1.188 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000237988702 134848192 /nfs/dbraw/zinc/84/81/92/134848192.db2.gz WXRPEZBWVBXEAW-LBPRGKRZSA-N 1 0 245.326 1.597 20 10 BDCDRO CC1(C)[C@H](O)C[C@H]1[NH2+]Cc1cc(F)ccc1O ZINC000189967872 168008386 /nfs/dbraw/zinc/00/83/86/168008386.db2.gz RISCGNHGUPMMPW-VXGBXAGGSA-N 1 0 239.290 1.780 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000036795283 170087901 /nfs/dbraw/zinc/08/79/01/170087901.db2.gz XTLQJXHIAIUBPV-VHSXEESVSA-N 1 0 236.315 1.567 20 10 BDCDRO CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000036794753 170088218 /nfs/dbraw/zinc/08/82/18/170088218.db2.gz FNGYXNZCTHFGAR-SECBINFHSA-N 1 0 222.288 1.006 20 10 BDCDRO CCOCCC[NH2+]Cc1ccccc1O ZINC000019962880 170381786 /nfs/dbraw/zinc/38/17/86/170381786.db2.gz UUQOHHOURDGAKD-UHFFFAOYSA-N 1 0 209.289 1.908 20 10 BDCDRO CN(C)C(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226588152 172359913 /nfs/dbraw/zinc/35/99/13/172359913.db2.gz NIFGXCAUNJEUJH-UHFFFAOYSA-N 1 0 240.278 1.099 20 10 BDCDRO CN1CC[C@@H]2CC[N@H+](Cc3ccccc3O)[C@@H]2C1 ZINC000272699122 173132943 /nfs/dbraw/zinc/13/29/43/173132943.db2.gz YGCJJBYKJFOWPC-TZMCWYRMSA-N 1 0 246.354 1.918 20 10 BDCDRO CN1CC[C@H]2CC[N@H+](Cc3ccccc3O)C[C@H]21 ZINC000378499292 173160652 /nfs/dbraw/zinc/16/06/52/173160652.db2.gz PPJOURGSIRUZTE-GXTWGEPZSA-N 1 0 246.354 1.918 20 10 BDCDRO CNC(=O)CCC[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297589313 173242314 /nfs/dbraw/zinc/24/23/14/173242314.db2.gz HOEPDKUFLZIJQC-LLVKDONJSA-N 1 0 248.326 1.495 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccccc1O ZINC000042560266 173303306 /nfs/dbraw/zinc/30/33/06/173303306.db2.gz OTWYEEWJIQQPFP-IUCAKERBSA-N 1 0 222.288 1.177 20 10 BDCDRO CNC(=O)[C@H]1CCC[N@@H+]1Cc1cc(C)ccc1O ZINC000133591926 173306934 /nfs/dbraw/zinc/30/69/34/173306934.db2.gz PYGOEHZCAVGMLU-GFCCVEGCSA-N 1 0 248.326 1.411 20 10 BDCDRO COCCOCC[NH2+][C@@H](C)c1ccccc1O ZINC000044693511 174358180 /nfs/dbraw/zinc/35/81/80/174358180.db2.gz SMVIPYYKWBPBOO-NSHDSACASA-N 1 0 239.315 1.706 20 10 BDCDRO COCCOCC[NH2+][C@H](C)c1ccccc1O ZINC000044693513 174358728 /nfs/dbraw/zinc/35/87/28/174358728.db2.gz SMVIPYYKWBPBOO-LLVKDONJSA-N 1 0 239.315 1.706 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](CO)C2)c1 ZINC000271732849 175157650 /nfs/dbraw/zinc/15/76/50/175157650.db2.gz NMWQQESXPPMKTA-JTQLQIEISA-N 1 0 237.299 1.215 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)CCCO)c1 ZINC000094942655 175158692 /nfs/dbraw/zinc/15/86/92/175158692.db2.gz BSDFBTAKMCZZMQ-SNVBAGLBSA-N 1 0 239.315 1.651 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)CF)c1 ZINC000290279744 175159579 /nfs/dbraw/zinc/15/95/79/175159579.db2.gz YYWRAWUWYAAKBK-MRVPVSSYSA-N 1 0 213.252 1.848 20 10 BDCDRO COc1cccc(C[N@@H+](C)C[C@@H](C)OC)c1O ZINC000289211770 175254818 /nfs/dbraw/zinc/25/48/18/175254818.db2.gz CAFOEZPRYOJURK-SNVBAGLBSA-N 1 0 239.315 1.868 20 10 BDCDRO COc1cccc(C[NH2+]CCC[C@H](C)O)c1O ZINC000227954031 175264998 /nfs/dbraw/zinc/26/49/98/175264998.db2.gz WLJGMXCAVOHHEB-JTQLQIEISA-N 1 0 239.315 1.651 20 10 BDCDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1Cc1ccc(N)cc1 ZINC000044412914 176196811 /nfs/dbraw/zinc/19/68/11/176196811.db2.gz JEIPMVWMTHKPFU-ZYHUDNBSSA-N 1 0 247.342 1.355 20 10 BDCDRO C[C@H](O)C[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000037257682 176989445 /nfs/dbraw/zinc/98/94/45/176989445.db2.gz CZLVRXCMSXZNIW-QWRGUYRKSA-N 1 0 222.332 1.784 20 10 BDCDRO CCC[C@](C)([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000294702130 487779067 /nfs/dbraw/zinc/77/90/67/487779067.db2.gz GPQNSQWNUDBQOK-LBPRGKRZSA-N 1 0 221.304 1.725 20 10 BDCDRO COc1ccc(O)c(C[NH2+]CC23CC(C2)CO3)c1 ZINC000529662502 324372787 /nfs/dbraw/zinc/37/27/87/324372787.db2.gz LQIVKWNTKGVFPG-UHFFFAOYSA-N 1 0 249.310 1.669 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]1COCCN1)c1ccccc1O ZINC000530218583 324535464 /nfs/dbraw/zinc/53/54/64/324535464.db2.gz CVRWBYJEPWMBMJ-MNOVXSKESA-N 1 0 236.315 1.031 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@@H](O)C2)cc1F ZINC000294775183 488024343 /nfs/dbraw/zinc/02/43/43/488024343.db2.gz GIDDLBATGHDPAM-PHIMTYICSA-N 1 0 238.306 1.505 20 10 BDCDRO CC[NH2+]Cc1ccc(N2CCOCC2)cc1 ZINC000020084520 535478753 /nfs/dbraw/zinc/47/87/53/535478753.db2.gz DBNITQSGHYUPES-UHFFFAOYSA-N 1 0 220.316 1.633 20 10 BDCDRO Cc1cccc(CNCC23CC(C2)C[NH2+]3)c1O ZINC000853246923 588728436 /nfs/dbraw/zinc/72/84/36/588728436.db2.gz WLCNBFBRXQMGPO-UHFFFAOYSA-N 1 0 232.327 1.542 20 10 BDCDRO Oc1ccccc1CNCC12CC(C1)C[NH2+]2 ZINC000853246716 588728537 /nfs/dbraw/zinc/72/85/37/588728537.db2.gz QTAKXMROOICIPM-UHFFFAOYSA-N 1 0 218.300 1.234 20 10 BDCDRO CC(C)[C@H]([NH3+])CC[NH2+]Cc1cccc(F)c1[O-] ZINC000853247415 588728831 /nfs/dbraw/zinc/72/88/31/588728831.db2.gz OVSXEMLYFPYAJO-GFCCVEGCSA-N 1 0 240.322 1.994 20 10 BDCDRO C[NH2+]C[C@@H](C)NCc1cccc(C)c1O ZINC000853249639 588728840 /nfs/dbraw/zinc/72/88/40/588728840.db2.gz SGZVSLYJUCVUIV-SNVBAGLBSA-N 1 0 208.305 1.398 20 10 BDCDRO Cc1ccc(O)c(CNCC23CC(C2)C[NH2+]3)c1 ZINC000853246972 588728941 /nfs/dbraw/zinc/72/89/41/588728941.db2.gz XQUBYLGYSYKGAJ-UHFFFAOYSA-N 1 0 232.327 1.542 20 10 BDCDRO Oc1cccc2c1[C@@H](NCC13CC(C1)C[NH2+]3)CC2 ZINC000854226183 588780701 /nfs/dbraw/zinc/78/07/01/588780701.db2.gz DSOCYVCBVGALLL-JYHUIVOISA-N 1 0 244.338 1.721 20 10 BDCDRO C[NH2+]C[C@@H](C)N[C@H](C)c1cc(OC)ccc1O ZINC000854231373 588781468 /nfs/dbraw/zinc/78/14/68/588781468.db2.gz GSKJPQUSAUWNCD-NXEZZACHSA-N 1 0 238.331 1.659 20 10 BDCDRO C[C@H](CC[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892055638 582778226 /nfs/dbraw/zinc/77/82/26/582778226.db2.gz KZDRLCLZLWSYCO-SECBINFHSA-N 1 0 249.314 1.155 20 10 BDCDRO CC[C@H]([NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892148082 582800995 /nfs/dbraw/zinc/80/09/95/582800995.db2.gz SHSIRLZLRSEJTJ-JTQLQIEISA-N 1 0 249.314 1.155 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CCO)c(Cl)c1 ZINC000840875775 582873504 /nfs/dbraw/zinc/87/35/04/582873504.db2.gz HKNLHLGBRRTBDF-UHFFFAOYSA-N 1 0 215.680 1.436 20 10 BDCDRO Cc1ccc(C[NH2+]C2([C@@H](C)O)CC2)c(O)c1 ZINC000877637480 583339918 /nfs/dbraw/zinc/33/99/18/583339918.db2.gz IWDDSGWBJIZKMN-SNVBAGLBSA-N 1 0 221.300 1.704 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2C)c1O ZINC000788269449 583600250 /nfs/dbraw/zinc/60/02/50/583600250.db2.gz NRVMJFHJCGSIIE-KOLCDFICSA-N 1 0 237.299 1.356 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H]2C(=O)NCC2(C)C)c(O)c1 ZINC000895324854 583651231 /nfs/dbraw/zinc/65/12/31/583651231.db2.gz NCKLCVQQQVWYHV-GFCCVEGCSA-N 1 0 248.326 1.315 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1C ZINC000895645855 583701141 /nfs/dbraw/zinc/70/11/41/583701141.db2.gz DOCUOQJXOFUNGA-JSGCOSHPSA-N 1 0 233.311 1.576 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651745 583703022 /nfs/dbraw/zinc/70/30/22/583703022.db2.gz BRKHQWDHELZMCW-ZWNOBZJWSA-N 1 0 219.284 1.267 20 10 BDCDRO COCC1C[NH+](Cc2ccc(N(C)C)cc2)C1 ZINC000895970851 583756209 /nfs/dbraw/zinc/75/62/09/583756209.db2.gz HIWVKVDVZWODID-UHFFFAOYSA-N 1 0 234.343 1.831 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+]C[C@@H]1CCN1C ZINC000896595346 583816783 /nfs/dbraw/zinc/81/67/83/583816783.db2.gz JJBFSURYXJNODM-HNNXBMFYSA-N 1 0 247.386 1.855 20 10 BDCDRO CC[N@H+](CCC(N)=O)Cc1cc(C)ccc1O ZINC000896715326 583826451 /nfs/dbraw/zinc/82/64/51/583826451.db2.gz QEQGMWQDTJSNFG-UHFFFAOYSA-N 1 0 236.315 1.398 20 10 BDCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H](C)[C@@H](O)C2)c1 ZINC000897681365 584039325 /nfs/dbraw/zinc/03/93/25/584039325.db2.gz SQYCQZDEEOPFET-RNCFNFMXSA-N 1 0 237.299 1.213 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1O ZINC000897684466 584040560 /nfs/dbraw/zinc/04/05/60/584040560.db2.gz PPMTWQJDBJEWHT-JOYOIKCWSA-N 1 0 207.273 1.205 20 10 BDCDRO OCCC1CC([NH2+]Cc2ccccc2O)C1 ZINC000898008048 584070657 /nfs/dbraw/zinc/07/06/57/584070657.db2.gz KJYQAAMXWXKATA-UHFFFAOYSA-N 1 0 221.300 1.643 20 10 BDCDRO Cc1ccc(C[NH2+]CC[C@@H](O)C2CC2)c(O)c1 ZINC000898195702 584096851 /nfs/dbraw/zinc/09/68/51/584096851.db2.gz YWPMNKBALSYCGN-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2[O-])C1 ZINC000841058258 584125724 /nfs/dbraw/zinc/12/57/24/584125724.db2.gz RJWQTQKSDMQWMA-GHMZBOCLSA-N 1 0 238.306 1.891 20 10 BDCDRO OC[C@H]1CC[N@@H+]1Cc1c(O)ccc2ccncc21 ZINC000902631548 584647317 /nfs/dbraw/zinc/64/73/17/584647317.db2.gz YXIOSPDWMQFKFO-LLVKDONJSA-N 1 0 244.294 1.507 20 10 BDCDRO C[C@@H](NCc1ccc(N(C)C)c(F)c1)[C@H](C)[NH3+] ZINC000841076703 584753319 /nfs/dbraw/zinc/75/33/19/584753319.db2.gz MMLVXRQAVZPNQX-VHSXEESVSA-N 1 0 239.338 1.717 20 10 BDCDRO COc1cccc(C[NH2+]CCC(C)(C)[NH3+])c1O ZINC000903938786 584827257 /nfs/dbraw/zinc/82/72/57/584827257.db2.gz KJJKDRNKUJGVLB-UHFFFAOYSA-N 1 0 238.331 1.618 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@@H]1C[NH2+]C[C@H]1C ZINC000903964359 584834071 /nfs/dbraw/zinc/83/40/71/584834071.db2.gz KEFVHOXPXOZQQB-IUODEOHRSA-N 1 0 247.386 1.759 20 10 BDCDRO CCC[N@H+](C)CC(=O)NCc1ccccc1O ZINC000730281208 584898900 /nfs/dbraw/zinc/89/89/00/584898900.db2.gz GEZUQSJVSYEMDE-UHFFFAOYSA-N 1 0 236.315 1.350 20 10 BDCDRO C[NH+]1CCC(NC(=O)C2=CC(=O)CS2)CC1 ZINC000731864902 584929976 /nfs/dbraw/zinc/92/99/76/584929976.db2.gz DJAROXZUMRLSRK-UHFFFAOYSA-N 1 0 240.328 1.278 20 10 BDCDRO C[C@@H]1C[C@H]([NH2+]CCc2ccc(N)cc2)[C@H](C)O1 ZINC000817956796 584991522 /nfs/dbraw/zinc/99/15/22/584991522.db2.gz DBVJPFMIXBEELH-SUNKGSAMSA-N 1 0 234.343 1.967 20 10 BDCDRO CN(C)c1ccc(C[NH+]2CC(CCO)C2)cc1 ZINC000839141539 585094582 /nfs/dbraw/zinc/09/45/82/585094582.db2.gz YZPRASCKHLQVMB-UHFFFAOYSA-N 1 0 234.343 1.567 20 10 BDCDRO OC[C@H](CC1CC1)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000754835027 585291381 /nfs/dbraw/zinc/29/13/81/585291381.db2.gz QZLMEJNYXYEXKS-AWEZNQCLSA-N 1 0 247.338 1.872 20 10 BDCDRO C[NH+](C)C(C)(C)CNC(=O)C1=CC(=O)CS1 ZINC000757753319 585345350 /nfs/dbraw/zinc/34/53/50/585345350.db2.gz AIYGXKWUAXQWIX-UHFFFAOYSA-N 1 0 242.344 1.524 20 10 BDCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCCNC1=O ZINC000766884482 585509058 /nfs/dbraw/zinc/50/90/58/585509058.db2.gz AUAQCUNSNUWEAX-LLVKDONJSA-N 1 0 234.299 1.103 20 10 BDCDRO C[N@H+](Cc1cc2c(cc1O)OC[C@H]2O)C1CC1 ZINC000768439914 585538395 /nfs/dbraw/zinc/53/83/95/585538395.db2.gz ACURHDAIXZJSGT-GFCCVEGCSA-N 1 0 235.283 1.412 20 10 BDCDRO OCCC[N@H+](Cc1ccccc1O)C1CC1 ZINC000779020492 585744137 /nfs/dbraw/zinc/74/41/37/585744137.db2.gz VEKKKJRSEGCZFU-UHFFFAOYSA-N 1 0 221.300 1.739 20 10 BDCDRO CCOc1ccc(C[NH2+][C@@H](CC)CO)c(O)c1 ZINC000780583164 585781759 /nfs/dbraw/zinc/78/17/59/585781759.db2.gz MNRFDQQMCPHSEJ-NSHDSACASA-N 1 0 239.315 1.651 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(CO)C2)c1 ZINC000783746564 585841867 /nfs/dbraw/zinc/84/18/67/585841867.db2.gz YGLKLWHLSNMBQF-OCCSQVGLSA-N 1 0 233.311 1.515 20 10 BDCDRO COc1ccc(O)c(C[NH2+]Cc2cn(C)cn2)c1 ZINC000808390293 586470428 /nfs/dbraw/zinc/47/04/28/586470428.db2.gz QEVLOACTMAXJQD-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808425214 586472368 /nfs/dbraw/zinc/47/23/68/586472368.db2.gz QRBFPLJEVZLJFJ-UWVGGRQHSA-N 1 0 240.322 1.751 20 10 BDCDRO CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccccc2O)C1 ZINC000814172862 586615331 /nfs/dbraw/zinc/61/53/31/586615331.db2.gz BXRBGQLEWYADTF-AAEUAGOBSA-N 1 0 232.327 1.528 20 10 BDCDRO Cc1cccc(C[NH2+]CC2(CC(N)=O)CC2)c1O ZINC000817411650 586801879 /nfs/dbraw/zinc/80/18/79/586801879.db2.gz WXDHLJLUOLPDAT-UHFFFAOYSA-N 1 0 248.326 1.446 20 10 BDCDRO CCN(C)c1ccc([C@H](C)NCC[NH3+])cc1 ZINC000817934445 586843401 /nfs/dbraw/zinc/84/34/01/586843401.db2.gz IQFRMASAHGLZHQ-NSHDSACASA-N 1 0 221.348 1.752 20 10 BDCDRO C[NH2+]CCC[NH2+][C@H](C)c1ccc(F)cc1[O-] ZINC000817941354 586844917 /nfs/dbraw/zinc/84/49/17/586844917.db2.gz UABWZIBTKAQUIS-SECBINFHSA-N 1 0 226.295 1.791 20 10 BDCDRO Oc1cccc2c1[C@H](N[C@@H]1CC[NH2+]C1)CC2 ZINC000817944607 586846269 /nfs/dbraw/zinc/84/62/69/586846269.db2.gz IAOHRXDULMPLMM-GHMZBOCLSA-N 1 0 218.300 1.331 20 10 BDCDRO C[C@@H](N[C@H]1CC[NH2+]C1)c1cc(F)ccc1O ZINC000817945301 586846339 /nfs/dbraw/zinc/84/63/39/586846339.db2.gz ZBPSFXMPMBJCFF-SCZZXKLOSA-N 1 0 224.279 1.544 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)NC2C[NH2+]C2)c1 ZINC000817955786 586850181 /nfs/dbraw/zinc/85/01/81/586850181.db2.gz HTHDQTOLIFSDED-SECBINFHSA-N 1 0 206.289 1.323 20 10 BDCDRO COc1ccc(O)c([C@H](C)NC2C[NH2+]C2)c1 ZINC000817955481 586850197 /nfs/dbraw/zinc/85/01/97/586850197.db2.gz BUCIRZXNTRQNPH-QMMMGPOBSA-N 1 0 222.288 1.023 20 10 BDCDRO CC[C@@H]([NH3+])CN[C@H](C)c1cc(F)ccc1O ZINC000817979278 586861180 /nfs/dbraw/zinc/86/11/80/586861180.db2.gz JMLJGCGPIZNPGV-PSASIEDQSA-N 1 0 226.295 1.919 20 10 BDCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CC[C@H]1O)CC2 ZINC000818358283 586888975 /nfs/dbraw/zinc/88/89/75/586888975.db2.gz SRRYNPUUXFDBGR-OUAUKWLOSA-N 1 0 219.284 1.492 20 10 BDCDRO Cc1cc(O)c(C[N@H+](C)CCO)cc1Cl ZINC000824484472 587271195 /nfs/dbraw/zinc/27/11/95/587271195.db2.gz JEBWSSSSJKKSLR-UHFFFAOYSA-N 1 0 229.707 1.778 20 10 BDCDRO COc1cccc(O)c1C[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842773590 587352826 /nfs/dbraw/zinc/35/28/26/587352826.db2.gz BLKJKFCFVAMJDV-ZJUUUORDSA-N 1 0 237.299 1.668 20 10 BDCDRO C[C@@H](O)C1([NH2+]Cc2ccc(N(C)C)cc2)CC1 ZINC000827579543 587390088 /nfs/dbraw/zinc/39/00/88/587390088.db2.gz FWHZSSUCAGHZJP-LLVKDONJSA-N 1 0 234.343 1.756 20 10 BDCDRO C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1ccccc1O ZINC000827964031 587413280 /nfs/dbraw/zinc/41/32/80/587413280.db2.gz GFXAVRVJWSYUBU-QWRGUYRKSA-N 1 0 248.326 1.521 20 10 BDCDRO C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(N)cc1 ZINC000832243988 587652029 /nfs/dbraw/zinc/65/20/29/587652029.db2.gz CRQIOLQTTDZFAQ-QMMMGPOBSA-N 1 0 219.288 1.348 20 10 BDCDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000832244123 587652060 /nfs/dbraw/zinc/65/20/60/587652060.db2.gz LEXTYFRPGPSHKZ-SNVBAGLBSA-N 1 0 239.344 1.288 20 10 BDCDRO CCC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832283914 587653072 /nfs/dbraw/zinc/65/30/72/587653072.db2.gz CZWISKCQRGXHEJ-GFCCVEGCSA-N 1 0 235.331 1.279 20 10 BDCDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000834460318 587755527 /nfs/dbraw/zinc/75/55/27/587755527.db2.gz GMUMQLUXXLRPIH-CMPLNLGQSA-N 1 0 247.342 1.007 20 10 BDCDRO C[C@@H](CCC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000834812998 587767469 /nfs/dbraw/zinc/76/74/69/587767469.db2.gz BEOONRPPKKSLIP-JTQLQIEISA-N 1 0 235.331 1.055 20 10 BDCDRO C[C@H](O)C[NH2+]C/C=C\c1ccc(N(C)C)cc1 ZINC000835034349 587779337 /nfs/dbraw/zinc/77/93/37/587779337.db2.gz ULHSHULDTPLUJI-RXNFCKPNSA-N 1 0 234.343 1.736 20 10 BDCDRO Cc1cccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)c1O ZINC000841026649 587935292 /nfs/dbraw/zinc/93/52/92/587935292.db2.gz NKNJRRYIXJHTMI-YPMHNXCESA-N 1 0 232.327 1.494 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[NH2+][C@H](CN)C1CC1 ZINC000841028252 587936170 /nfs/dbraw/zinc/93/61/70/587936170.db2.gz NSBRQYUTODJVOT-OAHLLOKOSA-N 1 0 247.386 1.888 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](CN)C2CC2)c1 ZINC000841027960 587936368 /nfs/dbraw/zinc/93/63/68/587936368.db2.gz HUWPCYBLNFQDCC-GFCCVEGCSA-N 1 0 236.315 1.228 20 10 BDCDRO Oc1c(F)cccc1CNC[C@H]1CCCC[NH2+]1 ZINC000841033624 587937253 /nfs/dbraw/zinc/93/72/53/587937253.db2.gz YCOUPOSMSUHCTF-LLVKDONJSA-N 1 0 238.306 1.763 20 10 BDCDRO Cc1cccc(CNC[C@@H]2CCC[NH2+]2)c1O ZINC000841036104 587937626 /nfs/dbraw/zinc/93/76/26/587937626.db2.gz NZGAVCHMKUVJAW-LBPRGKRZSA-N 1 0 220.316 1.542 20 10 BDCDRO C[NH2+]CCNCc1cc(Cl)cc(OC)c1O ZINC000841036029 587937740 /nfs/dbraw/zinc/93/77/40/587937740.db2.gz NFOPLBMNOBOTCO-UHFFFAOYSA-N 1 0 244.722 1.363 20 10 BDCDRO CC[NH2+]CCNCc1ccc(N(C)C)cc1C ZINC000841035735 587937767 /nfs/dbraw/zinc/93/77/67/587937767.db2.gz LDFIFKDBGGSKIF-UHFFFAOYSA-N 1 0 235.375 1.760 20 10 BDCDRO CC[NH2+]CCNCc1cc(OCC)ccc1O ZINC000841035707 587938164 /nfs/dbraw/zinc/93/81/64/587938164.db2.gz JOLMIHLBDGYBLJ-UHFFFAOYSA-N 1 0 238.331 1.490 20 10 BDCDRO Nc1ccc(CC[NH2+]CC2(F)CC2)cc1 ZINC000841038792 587938382 /nfs/dbraw/zinc/93/83/82/587938382.db2.gz QIRIRGNUQGZGOW-UHFFFAOYSA-N 1 0 208.280 1.903 20 10 BDCDRO Oc1ccc(Cl)cc1CN[C@@H]1CC[NH2+]C1 ZINC000841045468 587939439 /nfs/dbraw/zinc/93/94/39/587939439.db2.gz WDGVSQDHAIAOHO-SNVBAGLBSA-N 1 0 226.707 1.497 20 10 BDCDRO C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N(C)C)cc1 ZINC000841059393 587940918 /nfs/dbraw/zinc/94/09/18/587940918.db2.gz RMGNIIKWWRGANC-DOMZBBRYSA-N 1 0 247.386 1.840 20 10 BDCDRO COc1cc(Cl)cc(CN[C@@H](C)C[NH3+])c1O ZINC000841064209 587941118 /nfs/dbraw/zinc/94/11/18/587941118.db2.gz VQHPHRTXVBTDJF-ZETCQYMHSA-N 1 0 244.722 1.491 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@@H]1NCc1cc(F)ccc1O ZINC000841063573 587941740 /nfs/dbraw/zinc/94/17/40/587941740.db2.gz NQFJXCDNSPOVNN-CABZTGNLSA-N 1 0 238.306 1.761 20 10 BDCDRO CCN(CC)c1ccc(CN[C@H](C)C[NH3+])cc1 ZINC000841059885 587941959 /nfs/dbraw/zinc/94/19/59/587941959.db2.gz KYLUMQASRUJLPW-GFCCVEGCSA-N 1 0 235.375 1.970 20 10 BDCDRO c1cc(CN[C@@H]2CCCC[NH2+]C2)cc2c1OCC2 ZINC000841091485 587946617 /nfs/dbraw/zinc/94/66/17/587946617.db2.gz YVVGPTXZNCDOIT-CQSZACIVSA-N 1 0 246.354 1.853 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2C[C@@](C)(O)C2)c1 ZINC000841892058 587981739 /nfs/dbraw/zinc/98/17/39/587981739.db2.gz SLRWMGXLEFHHTM-BJHJDKERSA-N 1 0 221.300 1.704 20 10 BDCDRO CN(C)c1ccc(CN2CC[C@H]([NH3+])C2)cc1F ZINC000843047230 588075736 /nfs/dbraw/zinc/07/57/36/588075736.db2.gz OWYCOWJILIBLTD-NSHDSACASA-N 1 0 237.322 1.425 20 10 BDCDRO Cc1cc(O)c(CN2CC[NH2+]C[C@H]2C)cc1C ZINC000843047842 588076248 /nfs/dbraw/zinc/07/62/48/588076248.db2.gz YLUNOWCAHNRCLW-GFCCVEGCSA-N 1 0 234.343 1.803 20 10 BDCDRO Cc1cc(Cl)cc(CN2CC[C@H]([NH3+])C2)c1O ZINC000843047332 588076254 /nfs/dbraw/zinc/07/62/54/588076254.db2.gz RCXYHQMLPWXHBY-NSHDSACASA-N 1 0 240.734 1.887 20 10 BDCDRO CCN(CC)c1ccc(CN(C)C2C[NH2+]C2)cc1 ZINC000843125142 588083933 /nfs/dbraw/zinc/08/39/33/588083933.db2.gz XMELTTIJOWZCFS-UHFFFAOYSA-N 1 0 247.386 1.936 20 10 BDCDRO Cc1cccc(C[NH+]2CC(C)(C(N)=O)C2)c1O ZINC000843416768 588107513 /nfs/dbraw/zinc/10/75/13/588107513.db2.gz WSCKWCQGZMHPIV-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO COc1cccc([C@H](C)[NH2+]C[C@H](C)O)c1O ZINC000846138303 588258404 /nfs/dbraw/zinc/25/84/04/588258404.db2.gz QEOVCYYSVFFBJN-IUCAKERBSA-N 1 0 225.288 1.432 20 10 BDCDRO Cc1ccc(O)c([C@H](C)[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000846193116 588259653 /nfs/dbraw/zinc/25/96/53/588259653.db2.gz YWMIUNFAFKGXAJ-GARJFASQSA-N 1 0 248.326 1.615 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848393239 588376510 /nfs/dbraw/zinc/37/65/10/588376510.db2.gz WADVVWJOSWXJOS-TZMCWYRMSA-N 1 0 245.326 1.597 20 10 BDCDRO CCc1cccc(C[N@@H+]2CCC[C@@H]2CO)c1O ZINC000848880717 588416049 /nfs/dbraw/zinc/41/60/49/588416049.db2.gz JAUQUCYTZBHTPT-CYBMUJFWSA-N 1 0 235.327 1.911 20 10 BDCDRO CCc1cccc(C[N@@H+]2CCNC(=O)CC2)c1O ZINC000848884798 588416606 /nfs/dbraw/zinc/41/66/06/588416606.db2.gz FUYDJPIXGIWLLN-UHFFFAOYSA-N 1 0 248.326 1.277 20 10 BDCDRO CCc1cccc(C[NH+]2CC(C(=O)NC)C2)c1O ZINC000848916534 588419839 /nfs/dbraw/zinc/41/98/39/588419839.db2.gz HZMFEUKSLGVVFF-UHFFFAOYSA-N 1 0 248.326 1.132 20 10 BDCDRO COc1ccc(O)c(CNC(=[NH2+])N2CCC2)c1 ZINC000849009068 588434103 /nfs/dbraw/zinc/43/41/03/588434103.db2.gz YILHCAGAWVHXBH-UHFFFAOYSA-N 1 0 235.287 1.131 20 10 BDCDRO OCC1(C[NH2+]Cc2ccccc2O)CC1 ZINC000118906811 589204367 /nfs/dbraw/zinc/20/43/67/589204367.db2.gz QKYBREDRXUMMCL-UHFFFAOYSA-N 1 0 207.273 1.254 20 10 BDCDRO CC[C@@H]1[NH2+]CC[C@H]1NCc1ccc2c(c1)CCO2 ZINC000863482005 589292688 /nfs/dbraw/zinc/29/26/88/589292688.db2.gz PJUVPXYXBGJAQQ-UONOGXRCSA-N 1 0 246.354 1.852 20 10 BDCDRO CN(CC[C@@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863558595 589298948 /nfs/dbraw/zinc/29/89/48/589298948.db2.gz ONOPUSVSLMACIZ-NSHDSACASA-N 1 0 219.332 1.705 20 10 BDCDRO CN(C[C@H]1CC[NH2+]C1)c1ccc(N)cc1 ZINC000863556565 589299190 /nfs/dbraw/zinc/29/91/90/589299190.db2.gz UJEIYBCKGXROGI-JTQLQIEISA-N 1 0 205.305 1.315 20 10 BDCDRO CC[C@@H](C(=O)NCCc1ccc(N)cc1)[NH+](C)C ZINC000863585378 589302101 /nfs/dbraw/zinc/30/21/01/589302101.db2.gz XCNSPBIBKQLJNK-ZDUSSCGKSA-N 1 0 249.358 1.268 20 10 BDCDRO COc1cccc(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)c1O ZINC000864455967 589367035 /nfs/dbraw/zinc/36/70/35/589367035.db2.gz AZHVGNLNKASTQI-WCBMZHEXSA-N 1 0 249.314 1.423 20 10 BDCDRO COc1ccc(O)c(CNC(=[NH2+])N[C@H]2C[C@H]2C)c1 ZINC000864462052 589369308 /nfs/dbraw/zinc/36/93/08/589369308.db2.gz RCQWKHIPLSHDHQ-KCJUWKMLSA-N 1 0 249.314 1.423 20 10 BDCDRO CCOc1cccc(C[NH2+]C2(CO)CC2)c1O ZINC000120340973 589404934 /nfs/dbraw/zinc/40/49/34/589404934.db2.gz JUSKPRHBISCUSP-UHFFFAOYSA-N 1 0 237.299 1.405 20 10 BDCDRO CC(C)[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000123279178 589685286 /nfs/dbraw/zinc/68/52/86/589685286.db2.gz UBZYWAQVUCRSIA-ZDUSSCGKSA-N 1 0 223.316 1.889 20 10 BDCDRO CC(C)[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988044 589706925 /nfs/dbraw/zinc/70/69/25/589706925.db2.gz FAIVLJKMSZMUHI-BXKDBHETSA-N 1 0 236.315 1.553 20 10 BDCDRO C[C@H](NC(=O)CC1(C[NH3+])CC1)c1ccccc1O ZINC000870988496 589707108 /nfs/dbraw/zinc/70/71/08/589707108.db2.gz QTNHRFIKNFBICQ-JTQLQIEISA-N 1 0 248.326 1.698 20 10 BDCDRO CCC[N@H+](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871202379 589744155 /nfs/dbraw/zinc/74/41/55/589744155.db2.gz GAMCYBPPJHWPBG-UHFFFAOYSA-N 1 0 248.326 1.576 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H]2CCC(=O)N2)c1O ZINC000124843075 590093590 /nfs/dbraw/zinc/09/35/90/590093590.db2.gz QDPAEJMXEXSIQY-NSHDSACASA-N 1 0 234.299 1.069 20 10 BDCDRO Nc1ccc(NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000876503895 590203984 /nfs/dbraw/zinc/20/39/84/590203984.db2.gz GULBBZGXYGCKBF-JTQLQIEISA-N 1 0 217.272 1.255 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1CCCN(C)CC1 ZINC000876511087 590205427 /nfs/dbraw/zinc/20/54/27/590205427.db2.gz WAKDACVXSGKCPT-UHFFFAOYSA-N 1 0 234.343 1.838 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CCC[C@@H](O)C1 ZINC000876528375 590209192 /nfs/dbraw/zinc/20/91/92/590209192.db2.gz WHCNWVDMYNRHMO-LLVKDONJSA-N 1 0 221.300 1.657 20 10 BDCDRO COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1O ZINC000876563194 590216352 /nfs/dbraw/zinc/21/63/52/590216352.db2.gz ZWGYGBCJSOXGLP-LBPRGKRZSA-N 1 0 249.310 1.838 20 10 BDCDRO CC[N@H+](CC(=O)NC)Cc1c(C)cccc1O ZINC000876577845 590218345 /nfs/dbraw/zinc/21/83/45/590218345.db2.gz QTEHJRJEMNGBAD-UHFFFAOYSA-N 1 0 236.315 1.269 20 10 BDCDRO Cc1ccc(C[N@@H+](C)[C@@H]2CCNC2=O)c(O)c1 ZINC000876814217 590245362 /nfs/dbraw/zinc/24/53/62/590245362.db2.gz DOJXMDZCHUAEQX-LLVKDONJSA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1ccc2c(c1)CCN2C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000876883956 590253416 /nfs/dbraw/zinc/25/34/16/590253416.db2.gz CXABOJABIWPAMM-CYBMUJFWSA-N 1 0 242.322 1.932 20 10 BDCDRO Cc1ccc(C[NH2+]CCNC(=O)C2CC2)c(O)c1 ZINC000876892796 590255258 /nfs/dbraw/zinc/25/52/58/590255258.db2.gz UDYBTHGXWCCEEM-UHFFFAOYSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2COCCO2)c(O)c1 ZINC000876951893 590260212 /nfs/dbraw/zinc/26/02/12/590260212.db2.gz QRNSJVHRUIEJGY-LBPRGKRZSA-N 1 0 237.299 1.206 20 10 BDCDRO Cc1ccc(C[NH2+][C@H](C)C(C)(C)O)c(O)c1 ZINC000876996296 590266725 /nfs/dbraw/zinc/26/67/25/590266725.db2.gz RJOHMPNQQUZQIS-SNVBAGLBSA-N 1 0 223.316 1.950 20 10 BDCDRO COC[C@@](C)(O)C[NH2+]Cc1c(C)cccc1O ZINC000877026281 590271003 /nfs/dbraw/zinc/27/10/03/590271003.db2.gz BMEQLRQNCMLZFI-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H](C)[C@H](C)CO ZINC000877058265 590275750 /nfs/dbraw/zinc/27/57/50/590275750.db2.gz WYBZCVAKMUFUIS-GHMZBOCLSA-N 1 0 223.316 1.807 20 10 BDCDRO CN(C(=O)CCC1C[NH2+]C1)c1ccc(N)cc1 ZINC000877077090 590278602 /nfs/dbraw/zinc/27/86/02/590278602.db2.gz WWYFMBSVHOYLRF-UHFFFAOYSA-N 1 0 233.315 1.231 20 10 BDCDRO C[C@@H](C(=O)N(C)c1ccc(N)cc1)[NH+](C)C ZINC000877076661 590278796 /nfs/dbraw/zinc/27/87/96/590278796.db2.gz OURUEYRNRRRSJL-VIFPVBQESA-N 1 0 221.304 1.182 20 10 BDCDRO C[C@H]([NH3+])[C@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877077533 590279183 /nfs/dbraw/zinc/27/91/83/590279183.db2.gz LYEBGIHDDOVAMO-IUCAKERBSA-N 1 0 221.304 1.215 20 10 BDCDRO Cc1ccc(C[NH2+]CCCn2ccnn2)c(O)c1 ZINC000877310723 590312099 /nfs/dbraw/zinc/31/20/99/590312099.db2.gz QLMBBXGSQKXQRR-UHFFFAOYSA-N 1 0 246.314 1.472 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](C)C2)c(O)c1 ZINC000877434745 590326609 /nfs/dbraw/zinc/32/66/09/590326609.db2.gz TZKCBRDXGPDEQK-AAEUAGOBSA-N 1 0 235.327 1.903 20 10 BDCDRO CO[C@@H](C)C[NH2+]Cc1c(C)cccc1O ZINC000877463451 590332985 /nfs/dbraw/zinc/33/29/85/590332985.db2.gz DHDVNCIYUYZHOM-JTQLQIEISA-N 1 0 209.289 1.825 20 10 BDCDRO Cc1ccc(C[N@@H+]2CC[C@@](F)(CO)C2)c(O)c1 ZINC000877503770 590342222 /nfs/dbraw/zinc/34/22/22/590342222.db2.gz AGPQUKPNUAIFTA-ZDUSSCGKSA-N 1 0 239.290 1.607 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1c(C)cccc1O ZINC000877571822 590363244 /nfs/dbraw/zinc/36/32/44/590363244.db2.gz AHFKZLWNOYWQKK-JTQLQIEISA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1ccc(C[NH+]2CC(C)(CO)C2)c(O)c1 ZINC000877581898 590365778 /nfs/dbraw/zinc/36/57/78/590365778.db2.gz XRSIJYPMRHRULX-UHFFFAOYSA-N 1 0 221.300 1.515 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H]2CCCNC2=O)c(O)c1 ZINC000877586938 590368239 /nfs/dbraw/zinc/36/82/39/590368239.db2.gz YLATXURFIABTTC-LBPRGKRZSA-N 1 0 248.326 1.316 20 10 BDCDRO Cc1cccc(O)c1C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000877610311 590372201 /nfs/dbraw/zinc/37/22/01/590372201.db2.gz NPYNPEQKNFNBMH-AOOOYVTPSA-N 1 0 234.299 1.054 20 10 BDCDRO Cc1ccc(C[NH2+][C@H]2C[C@H](O)C2)c(O)c1 ZINC000877641454 590382383 /nfs/dbraw/zinc/38/23/83/590382383.db2.gz UNTZDYDLEIHMLN-XYPYZODXSA-N 1 0 207.273 1.314 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCOCCF ZINC000877643263 590382846 /nfs/dbraw/zinc/38/28/46/590382846.db2.gz FVSPSQXWLUUNLJ-UHFFFAOYSA-N 1 0 227.279 1.776 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCCNC(=O)C1)c1ccccc1O ZINC000877758359 590418544 /nfs/dbraw/zinc/41/85/44/590418544.db2.gz VUSGJEOELNAOQC-QWRGUYRKSA-N 1 0 248.326 1.712 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)c(O)c1 ZINC000877810911 590426413 /nfs/dbraw/zinc/42/64/13/590426413.db2.gz APYJSDMRSMILNK-UMSPYCQHSA-N 1 0 221.300 1.561 20 10 BDCDRO C[C@H]([NH2+]CC(=O)N(C)C1CC1)c1ccccc1O ZINC000879650835 590842911 /nfs/dbraw/zinc/84/29/11/590842911.db2.gz SLVDIHOBXQLPCG-JTQLQIEISA-N 1 0 248.326 1.664 20 10 BDCDRO Cc1cc(C[N@@H+]2CC=C[C@H]2CO)ccc1N(C)C ZINC000880492668 591072062 /nfs/dbraw/zinc/07/20/62/591072062.db2.gz UTVAHMDVBLACON-AWEZNQCLSA-N 1 0 246.354 1.794 20 10 BDCDRO C[C@@H](O)C[N@H+](C)Cc1cc(Cl)ccc1O ZINC000130639729 591490240 /nfs/dbraw/zinc/49/02/40/591490240.db2.gz QCHQLSNQXBZIKK-MRVPVSSYSA-N 1 0 229.707 1.858 20 10 BDCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(=O)NC1CC1 ZINC000135718845 592033196 /nfs/dbraw/zinc/03/31/96/592033196.db2.gz WGDJEZFLUWTWHE-UWVGGRQHSA-N 1 0 248.326 1.710 20 10 BDCDRO C[C@@H](O)[C@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000136822314 592151413 /nfs/dbraw/zinc/15/14/13/592151413.db2.gz JDVONYTWGVEICU-NEPJUHHUSA-N 1 0 235.327 1.985 20 10 BDCDRO CCOc1ccc(O)c(C[NH2+][C@]23C[C@H]2COC3)c1 ZINC000886201727 592175073 /nfs/dbraw/zinc/17/50/73/592175073.db2.gz PADTWLBPFSDTHJ-FZMZJTMJSA-N 1 0 249.310 1.669 20 10 BDCDRO Cn1ccc(C[NH2+]Cc2cc(F)ccc2O)n1 ZINC000226618361 635437798 /nfs/dbraw/zinc/43/77/98/635437798.db2.gz YFGKPBMVSVEMBK-UHFFFAOYSA-N 1 0 235.262 1.555 20 10 BDCDRO Cc1cc(C)c([C@H](C)[NH2+][C@H]2CNOC2)c(O)c1 ZINC000925866694 635569508 /nfs/dbraw/zinc/56/95/08/635569508.db2.gz OGYPTPXODZJPMT-QWRGUYRKSA-N 1 0 236.315 1.563 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CNOC1)c1cc(Cl)ccc1O ZINC000925869667 635581507 /nfs/dbraw/zinc/58/15/07/635581507.db2.gz OHVAIEVVLWOQAY-APPZFPTMSA-N 1 0 242.706 1.600 20 10 BDCDRO CC[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000309511667 632432597 /nfs/dbraw/zinc/43/25/97/632432597.db2.gz PQBATQJHLFZQES-MNOVXSKESA-N 1 0 221.300 1.740 20 10 BDCDRO CC(C)(CO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000310465466 632744187 /nfs/dbraw/zinc/74/41/87/632744187.db2.gz GNYNVGHMDSQHIE-NSHDSACASA-N 1 0 235.327 1.988 20 10 BDCDRO Cc1cccc(C[NH2+]CC2(O)CCC2)c1O ZINC000162639090 633033876 /nfs/dbraw/zinc/03/38/76/633033876.db2.gz IPDAHXVZDQUSNB-UHFFFAOYSA-N 1 0 221.300 1.705 20 10 BDCDRO CC(C)([NH3+])CC(=O)NCc1ccccc1O ZINC000162966618 633041964 /nfs/dbraw/zinc/04/19/64/633041964.db2.gz NOWPCBNPIKJGSV-UHFFFAOYSA-N 1 0 222.288 1.136 20 10 BDCDRO COc1cccc(C[NH2+]CC[C@H](C)O)c1O ZINC000078780548 636051061 /nfs/dbraw/zinc/05/10/61/636051061.db2.gz UYLNFNWRLJYAID-VIFPVBQESA-N 1 0 225.288 1.261 20 10 BDCDRO OCCCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000193279842 634274954 /nfs/dbraw/zinc/27/49/54/634274954.db2.gz ZQNOKPNDCCVVAP-UHFFFAOYSA-N 1 0 221.300 1.484 20 10 BDCDRO [NH3+][C@@H]1CCC[C@@H]1NCc1ccc2c(c1)CCO2 ZINC000259024263 635234867 /nfs/dbraw/zinc/23/48/67/635234867.db2.gz OGXBHZJNOYARLE-OLZOCXBDSA-N 1 0 232.327 1.591 20 10 BDCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CCC[C@H]1O ZINC000305745878 636329934 /nfs/dbraw/zinc/32/99/34/636329934.db2.gz OXXVDSISGAZFLD-TZMCWYRMSA-N 1 0 235.327 1.985 20 10 BDCDRO C[C@H]([NH2+]CCCON)c1ccccc1O ZINC000902419918 637303070 /nfs/dbraw/zinc/30/30/70/637303070.db2.gz VPDVMKLIIUNXPQ-VIFPVBQESA-N 1 0 210.277 1.323 20 10 BDCDRO NOCCC[NH2+]Cc1c(O)cccc1Cl ZINC000904455715 637416299 /nfs/dbraw/zinc/41/62/99/637416299.db2.gz AKHORJQMDCBPOA-UHFFFAOYSA-N 1 0 230.695 1.416 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CCCON)cc1 ZINC000904456776 637419708 /nfs/dbraw/zinc/41/97/08/637419708.db2.gz LFEXWCURKGUEPQ-UHFFFAOYSA-N 1 0 223.320 1.123 20 10 BDCDRO [NH3+]C1CC([NH2+]Cc2c(O)cccc2Cl)C1 ZINC000906509559 638182408 /nfs/dbraw/zinc/18/24/08/638182408.db2.gz JJWYSOKWIOPIDV-UHFFFAOYSA-N 1 0 226.707 1.625 20 10 BDCDRO CC[S@](=O)CC[NH2+][C@@H](C)c1ccccc1O ZINC000163978635 640432583 /nfs/dbraw/zinc/43/25/83/640432583.db2.gz HHEDPFKAYLNQAQ-MGPLVRAMSA-N 1 0 241.356 1.811 20 10 BDCDRO C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(N)cc1 ZINC000226087009 640728145 /nfs/dbraw/zinc/72/81/45/640728145.db2.gz ZIUBKZYTGDRNGM-LBPRGKRZSA-N 1 0 248.330 1.485 20 10 BDCDRO CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000228420788 640873535 /nfs/dbraw/zinc/87/35/35/640873535.db2.gz QMHGMWNZFBYIOX-LLVKDONJSA-N 1 0 236.315 1.382 20 10 BDCDRO O=C(C[NH2+]CC1CC1)NCc1ccccc1O ZINC000228420289 640873793 /nfs/dbraw/zinc/87/37/93/640873793.db2.gz USOAJQXQVVLDPD-UHFFFAOYSA-N 1 0 234.299 1.008 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]Cc2cc[nH]n2)c1 ZINC000041014226 641539084 /nfs/dbraw/zinc/53/90/84/641539084.db2.gz QIMWIHCWXSVIDB-SECBINFHSA-N 1 0 247.298 1.975 20 10 BDCDRO COC(OC)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000158775516 641650202 /nfs/dbraw/zinc/65/02/02/641650202.db2.gz PASUJBYYTDBAAK-JTQLQIEISA-N 1 0 239.315 1.798 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C2CSC2)cc1 ZINC000075151138 641744922 /nfs/dbraw/zinc/74/49/22/641744922.db2.gz MVTNPYWWHUDVDK-UHFFFAOYSA-N 1 0 222.357 1.958 20 10 BDCDRO CC[NH+](CC)Cc1cc2c(cc1O)OCO2 ZINC000000013982 642737692 /nfs/dbraw/zinc/73/76/92/642737692.db2.gz CYSCVKUICDKDAJ-UHFFFAOYSA-N 1 0 223.272 1.963 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+]C[C@H](O)C1CC1 ZINC000070880908 643075485 /nfs/dbraw/zinc/07/54/85/643075485.db2.gz RAIQJKRIBQUSSJ-LBPRGKRZSA-N 1 0 241.718 1.906 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000044684077 643547068 /nfs/dbraw/zinc/54/70/68/643547068.db2.gz CIMNARQAPXWVFM-GFCCVEGCSA-N 1 0 232.327 1.719 20 10 BDCDRO C[N@@H+]1CC[C@H](CNC(=O)C2=CC(=O)CS2)C1 ZINC000735688505 643555465 /nfs/dbraw/zinc/55/54/65/643555465.db2.gz XBIIOIHGBROAEY-MRVPVSSYSA-N 1 0 240.328 1.135 20 10 BDCDRO COC1CC([NH2+]Cc2ccccc2O)C1 ZINC000230690270 644526530 /nfs/dbraw/zinc/52/65/30/644526530.db2.gz FQHYPFJLISJBTP-UHFFFAOYSA-N 1 0 207.273 1.659 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC3(C2)OCCO3)c1 ZINC000093013629 644674612 /nfs/dbraw/zinc/67/46/12/644674612.db2.gz DCADHMAVYBVKCP-UHFFFAOYSA-N 1 0 249.310 1.649 20 10 BDCDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1Cc1ccccc1O ZINC000824637838 645057401 /nfs/dbraw/zinc/05/74/01/645057401.db2.gz ZYVTXMJWVWEXKQ-OLZOCXBDSA-N 1 0 235.327 1.985 20 10 BDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000707607014 712176101 /nfs/dbraw/zinc/17/61/01/712176101.db2.gz UBVWPXVROHIHLD-JGZJWPJOSA-N 1 0 207.273 1.253 20 10 BDCDRO CCN1CC[C@H]1C[NH2+]Cc1ccccc1O ZINC000712546274 712443966 /nfs/dbraw/zinc/44/39/66/712443966.db2.gz CDWAZGVVKOLRBS-LBPRGKRZSA-N 1 0 220.316 1.576 20 10 BDCDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000722272638 710706977 /nfs/dbraw/zinc/70/69/77/710706977.db2.gz NSHCCGJQWLGJPK-BXUZGUMPSA-N 1 0 246.354 1.661 20 10 BDCDRO CCN1C[C@@H]([NH2+]Cc2cccc(C)c2O)CC1=O ZINC000391598510 711138157 /nfs/dbraw/zinc/13/81/57/711138157.db2.gz IQJJZXCBPKBRLQ-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCNC(=O)CC2)c1 ZINC000396664130 711362552 /nfs/dbraw/zinc/36/25/52/711362552.db2.gz VDZPQDTXWSVJRB-GFCCVEGCSA-N 1 0 248.326 1.459 20 10 BDCDRO C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(N(C)C)cc1 ZINC000396726135 711368438 /nfs/dbraw/zinc/36/84/38/711368438.db2.gz YSWDGASQCPBEAK-SWLSCSKDSA-N 1 0 247.386 1.983 20 10 BDCDRO CN(C)C1(C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000397873608 711394042 /nfs/dbraw/zinc/39/40/42/711394042.db2.gz UQGXNJCEJZMXHS-UHFFFAOYSA-N 1 0 246.354 1.805 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cnc(C)o2)c1O ZINC000397927186 711396708 /nfs/dbraw/zinc/39/67/08/711396708.db2.gz RVHOXDHPUQFHKU-UHFFFAOYSA-N 1 0 248.282 1.987 20 10 BDCDRO CCN1CCC[C@@H]([NH2+]Cc2ccccc2O)C1=O ZINC000722341521 711741217 /nfs/dbraw/zinc/74/12/17/711741217.db2.gz IUZIPLIBJRKZFH-GFCCVEGCSA-N 1 0 248.326 1.493 20 10 BDCDRO Cc1ccc(C[NH2+]CC[C@H]2CNC(=O)C2)c(O)c1 ZINC000896896855 711783181 /nfs/dbraw/zinc/78/31/81/711783181.db2.gz NYOPYVIDPLFUHX-LLVKDONJSA-N 1 0 248.326 1.316 20 10 BDCDRO COC[C@@H](C)N1CCCc2cc(C[NH3+])ccc21 ZINC000700879615 712009332 /nfs/dbraw/zinc/00/93/32/712009332.db2.gz OJKQPAWWOHWKSY-LLVKDONJSA-N 1 0 234.343 1.933 20 10 BDCDRO OC[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)ccc2O)C1 ZINC000707593124 712175578 /nfs/dbraw/zinc/17/55/78/712175578.db2.gz GNPPJHCXBAHZGN-DKTWLAJQSA-N 1 0 241.718 1.906 20 10 BDCDRO CO[C@@]1(C)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1[O-] ZINC000708556373 712213004 /nfs/dbraw/zinc/21/30/04/712213004.db2.gz UQDNPCYLYQDZNF-PWSUYJOCSA-N 1 0 243.253 1.937 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@@H](O)COC)c1O ZINC000709414398 712221299 /nfs/dbraw/zinc/22/12/99/712221299.db2.gz CDCNVNCWQAHLNW-GFCCVEGCSA-N 1 0 239.315 1.052 20 10 BDCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)c1nncn1C ZINC000037017446 712529206 /nfs/dbraw/zinc/52/92/06/712529206.db2.gz MVVIGOBWSNPIOU-UWVGGRQHSA-N 1 0 246.314 1.933 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@H](O)C(F)F ZINC000716682306 712569736 /nfs/dbraw/zinc/56/97/36/712569736.db2.gz CAWNTUWIYLQABX-JTQLQIEISA-N 1 0 231.242 1.498 20 10 BDCDRO COC[C@@](C)(CO)[NH2+]Cc1cc(F)ccc1O ZINC000716814766 712576145 /nfs/dbraw/zinc/57/61/45/712576145.db2.gz ZUKNGKJBTJLQIJ-GFCCVEGCSA-N 1 0 243.278 1.018 20 10 BDCDRO Cc1ccc(C[NH2+]CCC[C@@H](C)O)c(O)c1 ZINC000877484903 712631150 /nfs/dbraw/zinc/63/11/50/712631150.db2.gz SKEYAEQMCHZWFE-LLVKDONJSA-N 1 0 223.316 1.951 20 10 BDCDRO CN(C)c1ccc(C[NH2+]C/C=C/CO)cc1 ZINC000717529657 712660695 /nfs/dbraw/zinc/66/06/95/712660695.db2.gz AAMXLDYUOLOXET-ONEGZZNKSA-N 1 0 220.316 1.391 20 10 BDCDRO C[C@@H]([NH2+]Cc1nncn1C)c1ccccc1O ZINC000038007599 712798809 /nfs/dbraw/zinc/79/88/09/712798809.db2.gz XZDXUDHVSZOJMG-SECBINFHSA-N 1 0 232.287 1.372 20 10 BDCDRO CN(C)c1ccc(CN2C[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000720832522 712869034 /nfs/dbraw/zinc/86/90/34/712869034.db2.gz ASHIHPUJNFDLRV-AWEZNQCLSA-N 1 0 247.386 1.922 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000720958342 712883000 /nfs/dbraw/zinc/88/30/00/712883000.db2.gz YBLFTQAIQBTAMX-DKTWLAJQSA-N 1 0 225.263 1.392 20 10 BDCDRO [NH3+][C@@H]1CCN(Cc2cc(F)c(F)cc2O)C1 ZINC001236169129 966285551 /nfs/dbraw/zinc/28/55/51/966285551.db2.gz AVWJYVXOLWSHCG-MRVPVSSYSA-N 1 0 228.242 1.203 20 10 BDCDRO [O-]c1cc(F)c(F)cc1C[NH2+][C@H]1CCOC1 ZINC001184329063 980029366 /nfs/dbraw/zinc/02/93/66/980029366.db2.gz XITSZEJXOLIAMP-QMMMGPOBSA-N 1 0 229.226 1.549 20 10 BDCDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccc(N(C)C)cc1 ZINC001574073382 984071564 /nfs/dbraw/zinc/07/15/64/984071564.db2.gz CPHXHNJCISDMEI-VHSXEESVSA-N 1 0 235.331 1.277 20 10 BDCDRO Cc1cccc(C[NH2+][C@@H]2CO[C@@H](C)C2)c1O ZINC000402145568 970765412 /nfs/dbraw/zinc/76/54/12/970765412.db2.gz NKGUQNRZVJWDFQ-JQWIXIFHSA-N 1 0 221.300 1.968 20 10 BDCDRO C[C@@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CO1 ZINC000402183637 970769922 /nfs/dbraw/zinc/76/99/22/970769922.db2.gz BQCFVGZFAGROPQ-LDYMZIIASA-N 1 0 225.263 1.798 20 10 BDCDRO Oc1ccccc1C[NH2+]CC[C@@]1(O)CCOC1 ZINC000404225629 971149201 /nfs/dbraw/zinc/14/92/01/971149201.db2.gz LCNAIXWRVSJRAR-CYBMUJFWSA-N 1 0 237.299 1.023 20 10 BDCDRO COc1ccc(O)c(CN2CC[C@@](C)([NH3+])C2)c1 ZINC000405906235 971320424 /nfs/dbraw/zinc/32/04/24/971320424.db2.gz VPCUIFNDBXVWKO-CYBMUJFWSA-N 1 0 236.315 1.324 20 10 BDCDRO Nc1ccc(O[C@@H]2CC[C@@H]3C[NH2+]C[C@H]23)cc1 ZINC001218474740 971827619 /nfs/dbraw/zinc/82/76/19/971827619.db2.gz WWTNCMYUOZXMCI-JIMOISOXSA-N 1 0 218.300 1.646 20 10 BDCDRO CC1(C)C[C@H]([NH2+]Cc2ccc(O)cc2O)CO1 ZINC000396619947 957068989 /nfs/dbraw/zinc/06/89/89/957068989.db2.gz XALWRVNHILAAHS-JTQLQIEISA-N 1 0 237.299 1.755 20 10 BDCDRO Cc1cc(C)c(CNC(=O)[C@@H](C)C[NH3+])c(O)c1 ZINC001220825792 972261359 /nfs/dbraw/zinc/26/13/59/972261359.db2.gz RFOFVWCJKALOPA-JTQLQIEISA-N 1 0 236.315 1.220 20 10 BDCDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(Cl)ccc1O ZINC000160800735 958234157 /nfs/dbraw/zinc/23/41/57/958234157.db2.gz NOIHHLLVZRFTGE-ZETCQYMHSA-N 1 0 242.706 1.399 20 10 BDCDRO CCn1cc(C[NH2+]Cc2cc(C)ccc2O)nn1 ZINC000404485447 959294216 /nfs/dbraw/zinc/29/42/16/959294216.db2.gz AZPSVURHFMYBGN-UHFFFAOYSA-N 1 0 246.314 1.602 20 10 BDCDRO Cc1c(O)ccc(C[N@H+]2C[C@H](O)C[C@H]2C)c1O ZINC001140742511 960544249 /nfs/dbraw/zinc/54/42/49/960544249.db2.gz QKNQLBOHYIYOHT-LDYMZIIASA-N 1 0 237.299 1.361 20 10 BDCDRO CO[C@H]1CC[N@H+](Cc2cc(O)ccc2O)C1 ZINC001141155941 960891281 /nfs/dbraw/zinc/89/12/81/960891281.db2.gz BDUKSUMRYVBYLB-NSHDSACASA-N 1 0 223.272 1.319 20 10 BDCDRO Oc1ccc(O)c(C[N@@H+]2CC[C@@H](F)[C@H](O)C2)c1 ZINC001141156257 960892015 /nfs/dbraw/zinc/89/20/15/960892015.db2.gz IQZCOYTYWVQBOE-ZYHUDNBSSA-N 1 0 241.262 1.003 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@@H](CO)C2)c(O)c1 ZINC000092764858 961873423 /nfs/dbraw/zinc/87/34/23/961873423.db2.gz FVMCWXKQEQWDSR-SNVBAGLBSA-N 1 0 237.299 1.215 20 10 BDCDRO Cc1cc(F)cc(CN2CC(C)([NH3+])C2)c1O ZINC001204993904 963392479 /nfs/dbraw/zinc/39/24/79/963392479.db2.gz PKQABBWRNGQLAI-UHFFFAOYSA-N 1 0 224.279 1.373 20 10 BDCDRO Cc1cccc(O)c1CN1CC[C@](C)([NH3+])C1 ZINC001204801403 963665970 /nfs/dbraw/zinc/66/59/70/963665970.db2.gz OGUNMWBXVJVNTM-ZDUSSCGKSA-N 1 0 220.316 1.624 20 10 BDCDRO [NH3+][C@H]1CN(Cc2cc(Cl)ccc2O)C[C@H]1F ZINC001204820964 963866075 /nfs/dbraw/zinc/86/60/75/963866075.db2.gz WNTVGBQMFHBGPQ-ZJUUUORDSA-N 1 0 244.697 1.527 20 10 BDCDRO C[NH2+]C1CN(Cc2c3ccccc3n(C)c2C)C1 ZINC001204706230 964187390 /nfs/dbraw/zinc/18/73/90/964187390.db2.gz IRPUYOWKHCRQNH-UHFFFAOYSA-N 1 0 243.354 1.890 20 10 BDCDRO C[C@H](CCNC(=O)Cc1ccc(N)cc1)[NH+](C)C ZINC000697921091 964686841 /nfs/dbraw/zinc/68/68/41/964686841.db2.gz TUFNPGDXMCDHJK-LLVKDONJSA-N 1 0 249.358 1.268 20 10 BDCDRO Cc1cccc(C[NH2+][C@H](C)C2(CO)CC2)c1O ZINC000696064434 965228944 /nfs/dbraw/zinc/22/89/44/965228944.db2.gz VUEOKZWBDXQVIM-LLVKDONJSA-N 1 0 235.327 1.951 20 10 BDCDRO CNc1ccccc1N[C@@H]1COCCC12C[NH2+]C2 ZINC001163080517 965255805 /nfs/dbraw/zinc/25/58/05/965255805.db2.gz HFHUREULKYCJLW-CYBMUJFWSA-N 1 0 247.342 1.519 20 10 BDCDRO COc1cccc(N)c1N[C@H]1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC001163267193 965321820 /nfs/dbraw/zinc/32/18/20/965321820.db2.gz LROLSHPHXUCHLU-SCVCMEIPSA-N 1 0 247.342 1.687 20 10 BDCDRO CCOc1ccc(N2CC[C@@H]([NH3+])C2)cc1C ZINC001164282088 965825566 /nfs/dbraw/zinc/82/55/66/965825566.db2.gz SOEAPECTIWJQNH-LLVKDONJSA-N 1 0 220.316 1.931 20 10 BDCDRO [NH3+][C@@H]1CCN(c2ccc(Cn3ccnc3)cc2)C1 ZINC001164282076 965826117 /nfs/dbraw/zinc/82/61/17/965826117.db2.gz SHXYXMNRLLXMQM-CYBMUJFWSA-N 1 0 242.326 1.469 20 10 BDCDRO COCc1cc(OC)ccc1N1CC[C@H]([NH3+])C1 ZINC001164287083 965831603 /nfs/dbraw/zinc/83/16/03/965831603.db2.gz BFMQFAJIGZTXDT-NSHDSACASA-N 1 0 236.315 1.379 20 10 BDCDRO Cc1c(O)ccc(CN2C[C@H]3CC[C@]3([NH3+])C2)c1O ZINC001235990601 966210931 /nfs/dbraw/zinc/21/09/31/966210931.db2.gz KLILDQKWWJCPJT-RISCZKNCSA-N 1 0 248.326 1.329 20 10 BDCDRO Oc1ccc(Cl)cc1CN1C[C@H]2C[NH2+]C[C@@H]21 ZINC001236281902 966330426 /nfs/dbraw/zinc/33/04/26/966330426.db2.gz CCKPTLFBOOBPMJ-KOLCDFICSA-N 1 0 238.718 1.449 20 10 BDCDRO COc1cc(C)c(CN2C[C@H]3C[NH2+]C[C@H]32)c(O)c1 ZINC001236285528 966337060 /nfs/dbraw/zinc/33/70/60/966337060.db2.gz BGSZRWNFCFGJJA-ZWNOBZJWSA-N 1 0 248.326 1.113 20 10 BDCDRO C[C@H]([NH3+])CN(C)Cc1ccc2c(c1)OCCN2C ZINC001236900226 966612095 /nfs/dbraw/zinc/61/20/95/966612095.db2.gz QJUMULLONLZIHN-NSHDSACASA-N 1 0 249.358 1.294 20 10 BDCDRO C[C@H]1CC[N@H+](Cc2ccccc2O)CC[C@H]1O ZINC001203550486 966677240 /nfs/dbraw/zinc/67/72/40/966677240.db2.gz VYJGEAUFQZLHCU-WCQYABFASA-N 1 0 235.327 1.985 20 10 BDCDRO COc1cccc(C[N@@H+]2CC[C@H](C(C)=O)C2)c1O ZINC001203600237 966702173 /nfs/dbraw/zinc/70/21/73/966702173.db2.gz YNOQMCSTBYLVQY-NSHDSACASA-N 1 0 249.310 1.812 20 10 BDCDRO COc1ccc(C[N@@H+]2CC[C@H]2C)c(O)c1 ZINC001203621274 966711592 /nfs/dbraw/zinc/71/15/92/966711592.db2.gz QWPHSNQMCFXIIM-SECBINFHSA-N 1 0 207.273 1.995 20 10 BDCDRO OCC1C[NH+](Cc2cc(Cl)ccc2O)C1 ZINC001203657761 966726570 /nfs/dbraw/zinc/72/65/70/966726570.db2.gz NBWUTQAZMJTXCE-UHFFFAOYSA-N 1 0 227.691 1.470 20 10 BDCDRO COc1ccc(O)c(CN2CC([NH+](C)C)C2)c1 ZINC001203670353 966733044 /nfs/dbraw/zinc/73/30/44/966733044.db2.gz OPEFYEAPNVHTBR-UHFFFAOYSA-N 1 0 236.315 1.147 20 10 BDCDRO CC1(O)CC[NH+](Cc2ccc(O)c(O)c2)CC1 ZINC001203874779 966805759 /nfs/dbraw/zinc/80/57/59/966805759.db2.gz CUWNWJOGMRVJIZ-UHFFFAOYSA-N 1 0 237.299 1.445 20 10 BDCDRO C[NH+]1CC2(C1)CCN(Cc1ccc(O)c(O)c1)C2 ZINC001203878741 966806731 /nfs/dbraw/zinc/80/67/31/966806731.db2.gz BCIHUKAXUOWLBC-UHFFFAOYSA-N 1 0 248.326 1.235 20 10 BDCDRO COC[C@H]1CC[N@H+](Cc2ccc(O)c(O)c2)C1 ZINC001203875647 966807189 /nfs/dbraw/zinc/80/71/89/966807189.db2.gz SFXIKHIRTJTENX-NSHDSACASA-N 1 0 237.299 1.566 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@@H]3OCC[C@@H]3C2)cc1O ZINC001203880557 966810633 /nfs/dbraw/zinc/81/06/33/966810633.db2.gz VLUQTLYETIABGL-RISCZKNCSA-N 1 0 249.310 1.709 20 10 BDCDRO Oc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)O3)c(O)c1 ZINC001204272800 966950643 /nfs/dbraw/zinc/95/06/43/966950643.db2.gz SIEZIZJIQYQALN-TXEJJXNPSA-N 1 0 235.283 1.461 20 10 BDCDRO CC1(C)COCC[N@@H+]1Cc1ccc(O)cc1O ZINC001204274715 966950719 /nfs/dbraw/zinc/95/07/19/966950719.db2.gz HIMRCNAOQLVIRJ-UHFFFAOYSA-N 1 0 237.299 1.709 20 10 BDCDRO C[C@]1(CO)CC[N@H+](Cc2ccc(O)cc2O)C1 ZINC001204276308 966953245 /nfs/dbraw/zinc/95/32/45/966953245.db2.gz JZWCMYGSIYMGMS-ZDUSSCGKSA-N 1 0 237.299 1.302 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC[C@]23CCOC3)c(O)c1 ZINC001204279963 966956633 /nfs/dbraw/zinc/95/66/33/966956633.db2.gz GPEULJRTOMGWRI-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO Oc1ccc(C[N@@H+]2CC[C@]3(CCCO3)C2)c(O)c1 ZINC001204277015 966958385 /nfs/dbraw/zinc/95/83/85/966958385.db2.gz VYTRHIIBDQWISR-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO COc1cc(C[N@@H+]2CC[C@H](C)C2)cc(O)c1O ZINC001204344077 966972938 /nfs/dbraw/zinc/97/29/38/966972938.db2.gz UYLPWTSEIAUTRR-VIFPVBQESA-N 1 0 237.299 1.948 20 10 BDCDRO CN1C[C@H]2[C@H](C1)CCC[N@@H+]2Cc1ccccc1O ZINC001203556880 966973237 /nfs/dbraw/zinc/97/32/37/966973237.db2.gz WKRMAZKERGKXMF-JSGCOSHPSA-N 1 0 246.354 1.918 20 10 BDCDRO Cn1cncc1C[N@@H+]1CCc2cccc(O)c2C1 ZINC001204386424 966986516 /nfs/dbraw/zinc/98/65/16/966986516.db2.gz BSNXDMUNWWWJMO-UHFFFAOYSA-N 1 0 243.310 1.684 20 10 BDCDRO CNc1ccccc1NC[C@]12C[NH2+]C[C@H]1COC2 ZINC001163158324 967993563 /nfs/dbraw/zinc/99/35/63/967993563.db2.gz IUCOACOYDFETBC-FZMZJTMJSA-N 1 0 247.342 1.376 20 10 BDCDRO Cc1cc(C)c(CN2C[C@@H](C)[C@H]([NH3+])C2)c(O)c1 ZINC001206065173 968035925 /nfs/dbraw/zinc/03/59/25/968035925.db2.gz PMBDBUIQKFGJQB-DGCLKSJQSA-N 1 0 234.343 1.788 20 10 BDCDRO O=c1cc(C2=CCC[NH2+]C2)ccn1CC1CC1 ZINC001240670672 968633863 /nfs/dbraw/zinc/63/38/63/968633863.db2.gz MEIGUMMTIGQHIN-UHFFFAOYSA-N 1 0 230.311 1.635 20 10 BDCDRO Oc1ccc(CC[NH2+]C2CCOCC2)cc1O ZINC001255032277 969855990 /nfs/dbraw/zinc/85/59/90/969855990.db2.gz RQXAAGBJSGCDSU-UHFFFAOYSA-N 1 0 237.299 1.409 20 10 BDCDRO Cc1ccc(NCc2ccc(O)c(O)c2)[nH+]c1N ZINC001169990241 969947712 /nfs/dbraw/zinc/94/77/12/969947712.db2.gz CVLGVHVUYFNNFF-UHFFFAOYSA-N 1 0 245.282 1.996 20 10 BDCDRO CCc1cccc(C[NH2+]C[C@H](C)O)c1O ZINC000691458861 969959362 /nfs/dbraw/zinc/95/93/62/969959362.db2.gz DHEQMZUQXNPGQX-VIFPVBQESA-N 1 0 209.289 1.425 20 10 BDCDRO CN(c1ccc2c(c1)NCCO2)C(C)(C)C[NH3+] ZINC001170058682 970108042 /nfs/dbraw/zinc/10/80/42/970108042.db2.gz AFWKMRZBIJPCGK-UHFFFAOYSA-N 1 0 235.331 1.664 20 10 BDCDRO COc1ccc(O)c(Nc2cc[nH+]cc2OC)c1 ZINC001211260356 970202827 /nfs/dbraw/zinc/20/28/27/970202827.db2.gz LNVQCGNMVIYINK-UHFFFAOYSA-N 1 0 246.266 1.970 20 10 BDCDRO COc1c[nH+]ccc1Nc1cc(N)c(O)cc1O ZINC001211264340 970209864 /nfs/dbraw/zinc/20/98/64/970209864.db2.gz DJSFKXMOGJSANR-UHFFFAOYSA-N 1 0 247.254 1.249 20 10 BDCDRO COc1c[nH+]ccc1Nc1c(N)cccc1O ZINC001211264688 970211047 /nfs/dbraw/zinc/21/10/47/970211047.db2.gz IPVISTSAGORRMN-UHFFFAOYSA-N 1 0 231.255 1.544 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CO[C@@H](C)C2)c1 ZINC000402034273 970758998 /nfs/dbraw/zinc/75/89/98/970758998.db2.gz CHRMXFAJHIHYHB-CMPLNLGQSA-N 1 0 221.300 1.968 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H]2CO[C@@H](C)C2)c1 ZINC000402023689 970760096 /nfs/dbraw/zinc/76/00/96/970760096.db2.gz GDNVGJUMKWBRPY-GXSJLCMTSA-N 1 0 237.299 1.668 20 10 BDCDRO CN(C)c1ccc(O[C@H]2CC[N@H+](C)C2)cc1 ZINC001227939107 975801231 /nfs/dbraw/zinc/80/12/31/975801231.db2.gz LMYUMPNQACABDD-ZDUSSCGKSA-N 1 0 220.316 1.836 20 10 BDCDRO Nc1ccc(CN[C@H]2CC[NH2+]C23CCC3)cc1 ZINC001334753529 976619019 /nfs/dbraw/zinc/61/90/19/976619019.db2.gz GOSBFRVFVHOMNM-ZDUSSCGKSA-N 1 0 231.343 1.643 20 10 BDCDRO Nc1ccc(CN2CC[NH2+]C[C@@H]2C(F)F)cc1 ZINC001335288922 976930021 /nfs/dbraw/zinc/93/00/21/976930021.db2.gz KFAUATFZVBMDDL-LLVKDONJSA-N 1 0 241.285 1.308 20 10 BDCDRO Cc1cccc(CN2CC([NH+](C)C)C2)c1O ZINC001231590839 977639791 /nfs/dbraw/zinc/63/97/91/977639791.db2.gz IQYALHUGNMSOMN-UHFFFAOYSA-N 1 0 220.316 1.446 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCN3CC[C@H]3C2)c1O ZINC001231594787 977640788 /nfs/dbraw/zinc/64/07/88/977640788.db2.gz KICLWUMAINWDFY-ZDUSSCGKSA-N 1 0 232.327 1.591 20 10 BDCDRO Cc1cc(C)c(CN2CC([NH+](C)C)C2)c(O)c1 ZINC001231843370 977762711 /nfs/dbraw/zinc/76/27/11/977762711.db2.gz XBORVOZDQASNBA-UHFFFAOYSA-N 1 0 234.343 1.755 20 10 BDCDRO Cc1cc(Nc2cc(N)c(O)cc2O)cc(C)[nH+]1 ZINC001176059641 977908435 /nfs/dbraw/zinc/90/84/35/977908435.db2.gz GHQIRVGUYHHGMV-UHFFFAOYSA-N 1 0 245.282 1.857 20 10 BDCDRO C[C@@H]1CCC[N@@H+]1Cc1cc(O)c(O)c(O)c1 ZINC001233009787 978406259 /nfs/dbraw/zinc/40/62/59/978406259.db2.gz ATHUMYVVSDXSRI-MRVPVSSYSA-N 1 0 223.272 1.788 20 10 BDCDRO C[N@H+](Cc1cc(O)c(O)c(O)c1)C1CC1 ZINC001233010868 978415640 /nfs/dbraw/zinc/41/56/40/978415640.db2.gz WAQPKGVKHQVBQW-UHFFFAOYSA-N 1 0 209.245 1.398 20 10 BDCDRO C[C@H]([NH3+])CCNC(=O)N1Cc2cccc(O)c2C1 ZINC001337958512 978575956 /nfs/dbraw/zinc/57/59/56/978575956.db2.gz OZCCPRGXGFVTNJ-VIFPVBQESA-N 1 0 249.314 1.155 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2CCCC23CC3)cc1O ZINC001233482566 978610919 /nfs/dbraw/zinc/61/09/19/978610919.db2.gz SJBUKTNADNOUCV-UHFFFAOYSA-N 1 0 235.283 1.932 20 10 BDCDRO Oc1cc(O)c(C[N@@H+]2C[C@@H]3C[C@@H]3C2)cc1O ZINC001233483340 978612561 /nfs/dbraw/zinc/61/25/61/978612561.db2.gz WHTIIXUQUGZIME-OCAPTIKFSA-N 1 0 221.256 1.255 20 10 BDCDRO Oc1ccc(C[N@@H+]2CCC[C@@]3(CCO3)C2)c(O)c1 ZINC001204279096 978933982 /nfs/dbraw/zinc/93/39/82/978933982.db2.gz QLWWOPPELUQPMS-CQSZACIVSA-N 1 0 249.310 1.853 20 10 BDCDRO Cc1ccc(C)c(CN2CC[C@H]3[NH2+]CC[C@H]32)c1O ZINC001235076055 978969066 /nfs/dbraw/zinc/96/90/66/978969066.db2.gz DPHPKASQFXAINE-ZIAGYGMSSA-N 1 0 246.354 1.945 20 10 BDCDRO Cc1cc(C)c(CN2CC[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001235174707 978989074 /nfs/dbraw/zinc/98/90/74/978989074.db2.gz XKLSZHSYGFWRIW-SWLSCSKDSA-N 1 0 246.354 1.932 20 10 BDCDRO CC[C@@H]1C[NH2+]CCN1Cc1ccc(N)cc1 ZINC001235775397 979147764 /nfs/dbraw/zinc/14/77/64/979147764.db2.gz WUTQBZFHFJFNAN-CYBMUJFWSA-N 1 0 219.332 1.453 20 10 BDCDRO CCOc1cccc(CN2C[C@H]3C[C@@]3([NH3+])C2)c1O ZINC001236019380 979309248 /nfs/dbraw/zinc/30/92/48/979309248.db2.gz XEPDTVGKLGWKHR-BXUZGUMPSA-N 1 0 248.326 1.324 20 10 BDCDRO Cc1cc(C)c(CN2C[C@H]3C[C@@]3([NH3+])C2)c(O)c1 ZINC001236030087 979327730 /nfs/dbraw/zinc/32/77/30/979327730.db2.gz PQFDMEHZXZAXHH-BXUZGUMPSA-N 1 0 232.327 1.542 20 10 BDCDRO CCc1ccc(CN(C2CC2)C2C[NH2+]C2)c(O)c1 ZINC001236063391 979353874 /nfs/dbraw/zinc/35/38/74/979353874.db2.gz GQCCIDYONMZUFA-UHFFFAOYSA-N 1 0 246.354 1.891 20 10 BDCDRO Nc1ccc(CN2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC001236094030 979384778 /nfs/dbraw/zinc/38/47/78/979384778.db2.gz YVMYTZYQOGGCER-OKILXGFUSA-N 1 0 231.343 1.595 20 10 BDCDRO Oc1cc(Cl)ccc1CN1C[C@@H]2C[NH2+]C[C@@H]21 ZINC001236284272 979488735 /nfs/dbraw/zinc/48/87/35/979488735.db2.gz HIQVGGJXWLHXJI-ONGXEEELSA-N 1 0 238.718 1.449 20 10 BDCDRO C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cc(C(=O)[O-])ccc1O ZINC001604260770 979602617 /nfs/dbraw/zinc/60/26/17/979602617.db2.gz YRZSNSJWUZYLEF-SFYZADRCSA-N 1 0 238.287 1.088 20 10 BDCDRO C[NH2+]C1CC(C(=O)N(C)c2ccc(N)cc2)C1 ZINC001342331122 979772540 /nfs/dbraw/zinc/77/25/40/979772540.db2.gz HZMKLEKQFSQWBN-UHFFFAOYSA-N 1 0 233.315 1.230 20 10 BDCDRO CC[C@H]([NH3+])CN(C)Cc1ccc(N)cc1 ZINC001236883895 979775912 /nfs/dbraw/zinc/77/59/12/979775912.db2.gz HMDHEMCRBGAVKY-NSHDSACASA-N 1 0 207.321 1.438 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](F)[C@H](O)C1 ZINC001237482392 979911459 /nfs/dbraw/zinc/91/14/59/979911459.db2.gz LAMNUMCQUJWRCP-DGCLKSJQSA-N 1 0 239.290 1.605 20 10 BDCDRO COC(=O)CC1C[NH+](Cc2c(C)cccc2O)C1 ZINC001237489579 979914702 /nfs/dbraw/zinc/91/47/02/979914702.db2.gz IVLCGKIFCMYNMG-UHFFFAOYSA-N 1 0 249.310 1.696 20 10 BDCDRO CC(=O)N(C)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC001237490420 979916228 /nfs/dbraw/zinc/91/62/28/979916228.db2.gz USBUBGISYHHXFJ-UHFFFAOYSA-N 1 0 248.326 1.363 20 10 BDCDRO Cc1cc(F)cc(C[N@H+](C)CC2COC2)c1O ZINC001238068959 980136478 /nfs/dbraw/zinc/13/64/78/980136478.db2.gz HGRLCSICEJSMKR-UHFFFAOYSA-N 1 0 239.290 1.918 20 10 BDCDRO C[C@@H]([NH2+]Cc1ccc(N)cc1)c1ccnn1C ZINC001345160088 980568888 /nfs/dbraw/zinc/56/88/88/980568888.db2.gz QTLKQLKFSUGPAP-SNVBAGLBSA-N 1 0 230.315 1.853 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2CCCC[C@@H]2[NH3+])cc1 ZINC001349363438 981535054 /nfs/dbraw/zinc/53/50/54/981535054.db2.gz YJGIMRZYMLYHNZ-RYUDHWBXSA-N 1 0 233.315 1.725 20 10 BDCDRO Cn1ccc(-c2cccn3c[nH+]cc23)cc1=O ZINC001240996078 982077310 /nfs/dbraw/zinc/07/73/10/982077310.db2.gz NIBJFBPHRAPVER-UHFFFAOYSA-N 1 0 225.251 1.700 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(O)c(O)c2)CC[C@H]1O ZINC001203875822 982558751 /nfs/dbraw/zinc/55/87/51/982558751.db2.gz WKJBFTLGZWXLLB-MWLCHTKSSA-N 1 0 237.299 1.301 20 10 BDCDRO C[N@H+](Cc1ccc(O)c(O)c1)[C@H]1CCOC1 ZINC001203882605 982584085 /nfs/dbraw/zinc/58/40/85/982584085.db2.gz NKHOHTODDYWBBN-JTQLQIEISA-N 1 0 223.272 1.319 20 10 BDCDRO Cn1ccc2c1ncnc2C1=CCC[N@H+](C)C1 ZINC001241566548 982810670 /nfs/dbraw/zinc/81/06/70/982810670.db2.gz YQNKBNBHSQJEOA-UHFFFAOYSA-N 1 0 228.299 1.687 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H]2C[C@@H](O)C2)cc1Cl ZINC000826100516 983969834 /nfs/dbraw/zinc/96/98/34/983969834.db2.gz QKGZMLNXEKKTOD-AOOOYVTPSA-N 1 0 241.718 1.967 20 10 BDCDRO C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC001575953871 984137729 /nfs/dbraw/zinc/13/77/29/984137729.db2.gz ORDASRLXPYDAKJ-SNVBAGLBSA-N 1 0 235.331 1.795 20 10 BDCDRO Fc1cc(C2=CC[NH2+]C2)ccc1N1CCOCC1 ZINC001243112028 984582267 /nfs/dbraw/zinc/58/22/67/984582267.db2.gz MKBHVSMOVIVFDL-UHFFFAOYSA-N 1 0 248.301 1.649 20 10 BDCDRO Cc1ccc(O)c(CN(C)CC(C)(C)[NH3+])c1 ZINC000691986367 985107742 /nfs/dbraw/zinc/10/77/42/985107742.db2.gz SGHJXQPTGTXFJU-UHFFFAOYSA-N 1 0 222.332 1.870 20 10 BDCDRO CC(C)[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000040419250 985138816 /nfs/dbraw/zinc/13/88/16/985138816.db2.gz RBUNIQBQCZUBHJ-UHFFFAOYSA-N 1 0 249.358 1.367 20 10 BDCDRO Oc1cccc2c1C[N@@H+]([C@H]1CCCOC1)CC2 ZINC001254386488 986609885 /nfs/dbraw/zinc/60/98/85/986609885.db2.gz RMGYTSSBYKATHA-LBPRGKRZSA-N 1 0 233.311 1.929 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2cccc(O)c2O)C[NH2+]1 ZINC001246314581 987721739 /nfs/dbraw/zinc/72/17/39/987721739.db2.gz HCZGINPPUWTMOA-MWLCHTKSSA-N 1 0 236.315 1.328 20 10 BDCDRO C[C@H]1CC[C@H](N2CCc3cccc(O)c3C2)C[NH2+]1 ZINC001246871291 988632969 /nfs/dbraw/zinc/63/29/69/988632969.db2.gz YWGLXFMBTHVDJX-AAEUAGOBSA-N 1 0 246.354 1.891 20 10 BDCDRO Cc1ccc(O)c2c1[C@@H](C)C[C@H]2NC1C[NH2+]C1 ZINC001326034891 989334255 /nfs/dbraw/zinc/33/42/55/989334255.db2.gz BCZCJMCPWLMTPT-GXSJLCMTSA-N 1 0 232.327 1.810 20 10 BDCDRO C[NH2+]CCN(C)Cc1ccc(N2CCCC2)cc1 ZINC001326232948 989439219 /nfs/dbraw/zinc/43/92/19/989439219.db2.gz UOMTZLXZGUSGLZ-UHFFFAOYSA-N 1 0 247.386 1.938 20 10 BDCDRO Oc1cccc2c1C[N@H+](Cc1cccnn1)CC2 ZINC001139973846 991445392 /nfs/dbraw/zinc/44/53/92/991445392.db2.gz LSBQNFACTVXKSQ-UHFFFAOYSA-N 1 0 241.294 1.741 20 10 BDCDRO CC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC001140059905 991510397 /nfs/dbraw/zinc/51/03/97/991510397.db2.gz AJEWANSRXVJGCN-SNVBAGLBSA-N 1 0 237.274 1.942 20 10 BDCDRO Cc1ccc(C)c(C[N@@H+]2CC[C@@H](O)C2)c1O ZINC001140178692 991553090 /nfs/dbraw/zinc/55/30/90/991553090.db2.gz UZBNTGAARDKOMV-LLVKDONJSA-N 1 0 221.300 1.576 20 10 BDCDRO OC[C@H]1CC[N@H+](Cc2ccc(Cl)cc2O)C1 ZINC001140466434 991644304 /nfs/dbraw/zinc/64/43/04/991644304.db2.gz FNSNFDWKLMFWDV-VIFPVBQESA-N 1 0 241.718 1.860 20 10 BDCDRO C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(N)cc1 ZINC001575953870 993139234 /nfs/dbraw/zinc/13/92/34/993139234.db2.gz ORDASRLXPYDAKJ-JTQLQIEISA-N 1 0 235.331 1.795 20 10 BDCDRO Oc1ccc(C[NH2+][C@@H]2CCCOCC2)cc1O ZINC000380029282 993307058 /nfs/dbraw/zinc/30/70/58/993307058.db2.gz OPGUIWBYSHHOFI-LLVKDONJSA-N 1 0 237.299 1.757 20 10 BDCDRO CCN1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000389110904 993736045 /nfs/dbraw/zinc/73/60/45/993736045.db2.gz AKEKOACUFONKFW-CQSZACIVSA-N 1 0 246.354 1.805 20 10 BDCDRO C[C@@H]1CC[N@H+](Cc2ccc(N)cc2)C[C@H]1CO ZINC000700439453 993835233 /nfs/dbraw/zinc/83/52/33/993835233.db2.gz SRCMMJHNKODLHX-YPMHNXCESA-N 1 0 234.343 1.719 20 10 BDCDRO Cc1cc(O)c(C[N@@H+]2CC[C@@H](O)C2)cc1C ZINC000128081070 178194659 /nfs/dbraw/zinc/19/46/59/178194659.db2.gz KFFUYWYGXXVWIX-GFCCVEGCSA-N 1 0 221.300 1.576 20 10 BDCDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC)c1ccccc1O ZINC000042560616 343443866 /nfs/dbraw/zinc/44/38/66/343443866.db2.gz GMEZAELQMJKUES-GXSJLCMTSA-N 1 0 236.315 1.567 20 10 BDCDRO Cc1cccc(C[N@H+]2CCOC[C@H]2C)c1O ZINC000162813610 179078869 /nfs/dbraw/zinc/07/88/69/179078869.db2.gz HLSLAWRMBLJUNJ-LLVKDONJSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@@H]([C@@H](C)O)C2)c1O ZINC000272568237 179079043 /nfs/dbraw/zinc/07/90/43/179079043.db2.gz VHBPEGLBXDRAEN-VXGBXAGGSA-N 1 0 235.327 1.903 20 10 BDCDRO CC1(C)C[N@H+](Cc2cc(F)ccc2O)C[C@@H]1O ZINC000280572538 351851626 /nfs/dbraw/zinc/85/16/26/351851626.db2.gz VZJZGNHNGSFBGZ-LBPRGKRZSA-N 1 0 239.290 1.734 20 10 BDCDRO COc1ccc(N(C)C(=O)C2=CC[C@H]([NH3+])C2)cn1 ZINC000638428717 352237344 /nfs/dbraw/zinc/23/73/44/352237344.db2.gz YFTFPXZDVKESAF-JTQLQIEISA-N 1 0 247.298 1.101 20 10 BDCDRO CC[N@H+](Cc1cccc(C)c1O)[C@H](C)CO ZINC000292856373 352331771 /nfs/dbraw/zinc/33/17/71/352331771.db2.gz UVBWGOVPHXIRCM-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO OC[C@@H]1CCC[N@H+](Cc2ccccc2O)C1 ZINC000124985068 183118865 /nfs/dbraw/zinc/11/88/65/183118865.db2.gz VWOKGBNPRSQDFQ-LLVKDONJSA-N 1 0 221.300 1.597 20 10 BDCDRO O[C@H]1CCC[C@@H]1C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000089162747 183236897 /nfs/dbraw/zinc/23/68/97/183236897.db2.gz RJLDIOUALLSFRB-KGLIPLIRSA-N 1 0 247.338 1.872 20 10 BDCDRO Oc1ccc(F)cc1C[NH2+]CCOCC(F)F ZINC000189001989 183275589 /nfs/dbraw/zinc/27/55/89/183275589.db2.gz TYISXAPPLMAESM-UHFFFAOYSA-N 1 0 249.232 1.903 20 10 BDCDRO Oc1ccccc1C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188818670 183303718 /nfs/dbraw/zinc/30/37/18/183303718.db2.gz IWYRJVOFKJLDAE-ZYHUDNBSSA-N 1 0 221.300 1.643 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000051991276 183304144 /nfs/dbraw/zinc/30/41/44/183304144.db2.gz OXIYYLGPQMPKBV-DGCLKSJQSA-N 1 0 221.300 1.785 20 10 BDCDRO CCC[NH2+][C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000295167360 169285301 /nfs/dbraw/zinc/28/53/01/169285301.db2.gz LBQSSXMFWUVFHY-LLVKDONJSA-N 1 0 249.358 1.316 20 10 BDCDRO COc1ccc(C[NH2+]C[C@@H](C)CO)cc1C ZINC000088195387 383886063 /nfs/dbraw/zinc/88/60/63/383886063.db2.gz JMIMDAZBEVMVEV-SNVBAGLBSA-N 1 0 223.316 1.722 20 10 BDCDRO CN(C)c1ccc(C[NH2+]CC(C)(C)O)cc1F ZINC000113340746 383976420 /nfs/dbraw/zinc/97/64/20/383976420.db2.gz UGCSAQKXEMCJOP-UHFFFAOYSA-N 1 0 240.322 1.752 20 10 BDCDRO C[C@H]([NH2+]CCS(C)(=O)=O)c1ccccc1O ZINC000037740563 384007751 /nfs/dbraw/zinc/00/77/51/384007751.db2.gz XDTUPCLSHKKSKQ-VIFPVBQESA-N 1 0 243.328 1.087 20 10 BDCDRO C[C@H]([NH2+][C@H]1CCCNC1=O)c1ccccc1O ZINC000050394509 384621479 /nfs/dbraw/zinc/62/14/79/384621479.db2.gz DCFJVIQDGRVSHP-ONGXEEELSA-N 1 0 234.299 1.321 20 10 BDCDRO C[C@H]([NH2+]Cc1cncn1C)c1ccccc1O ZINC000271722138 384636300 /nfs/dbraw/zinc/63/63/00/384636300.db2.gz YCXITRLCRPMZHO-JTQLQIEISA-N 1 0 231.299 1.977 20 10 BDCDRO C[C@@H]([NH2+]CC[C@H](C)O)c1ccccc1O ZINC000082992612 384733370 /nfs/dbraw/zinc/73/33/70/384733370.db2.gz QNIYSYGPAIQBHS-VHSXEESVSA-N 1 0 209.289 1.814 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]C[C@@H](C)CO)c(O)c1 ZINC000083219202 384751668 /nfs/dbraw/zinc/75/16/68/384751668.db2.gz DMCHHMIEBFEDPQ-MNOVXSKESA-N 1 0 223.316 1.980 20 10 BDCDRO COC(=O)[C@@H](C)NCc1cccc(F)c1O ZINC000083355202 384761242 /nfs/dbraw/zinc/76/12/42/384761242.db2.gz JNLKUJPIGYMGAY-SSDOTTSWSA-N 1 0 227.235 1.182 20 10 BDCDRO CC[C@@H]([NH2+][C@@H](CO)COC)c1ccccc1O ZINC000233897958 384900517 /nfs/dbraw/zinc/90/05/17/384900517.db2.gz KESVOTAXZBYOJP-CMPLNLGQSA-N 1 0 239.315 1.440 20 10 BDCDRO Cc1ccc(O)c(C[NH+]2CCN(C3CC3)CC2)c1 ZINC000127942159 384969343 /nfs/dbraw/zinc/96/93/43/384969343.db2.gz WCSVQYHCFNJHKL-UHFFFAOYSA-N 1 0 246.354 1.981 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000127995182 384977157 /nfs/dbraw/zinc/97/71/57/384977157.db2.gz UOJFEJXYMIPTGK-LBPRGKRZSA-N 1 0 221.300 1.657 20 10 BDCDRO CC[C@H]([NH2+][C@@H](CO)COC)c1ccccc1O ZINC000234028614 385262542 /nfs/dbraw/zinc/26/25/42/385262542.db2.gz KESVOTAXZBYOJP-JQWIXIFHSA-N 1 0 239.315 1.440 20 10 BDCDRO CCOc1cccc(C[N@H+](C)C[C@H](C)O)c1O ZINC000130718063 385277794 /nfs/dbraw/zinc/27/77/94/385277794.db2.gz VLALTXAQQJZBGT-JTQLQIEISA-N 1 0 239.315 1.604 20 10 BDCDRO Cc1ccc(O)c(C[N@H+]2CC[C@@H](C)[C@@H]2CO)c1 ZINC000191185899 385289565 /nfs/dbraw/zinc/28/95/65/385289565.db2.gz LFMPQMBZVVSUBL-YPMHNXCESA-N 1 0 235.327 1.903 20 10 BDCDRO CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000167056967 385296203 /nfs/dbraw/zinc/29/62/03/385296203.db2.gz UTEQTJKBUJFORV-NSHDSACASA-N 1 0 221.304 1.581 20 10 BDCDRO Nc1ccc(CCNC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000131836663 385366054 /nfs/dbraw/zinc/36/60/54/385366054.db2.gz GHLSLZKBCURNCB-ZDUSSCGKSA-N 1 0 247.342 1.070 20 10 BDCDRO COCC[C@H](CO)[NH2+][C@H](C)c1ccccc1O ZINC000281541111 385678230 /nfs/dbraw/zinc/67/82/30/385678230.db2.gz IQXSFCLNWLHEFE-GHMZBOCLSA-N 1 0 239.315 1.440 20 10 BDCDRO C[N@H+](CCCO)Cc1cc(F)ccc1O ZINC000281854185 385707430 /nfs/dbraw/zinc/70/74/30/385707430.db2.gz UTBRJKMJROOZMK-UHFFFAOYSA-N 1 0 213.252 1.346 20 10 BDCDRO CC[C@H](C[NH2+]Cc1cccc(OC)c1O)OC ZINC000289926689 385731905 /nfs/dbraw/zinc/73/19/05/385731905.db2.gz VTYQZGNYRCPMLM-LLVKDONJSA-N 1 0 239.315 1.915 20 10 BDCDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1ccccc1O ZINC000183629672 385778746 /nfs/dbraw/zinc/77/87/46/385778746.db2.gz JOQGPRGPCPOCSW-GWCFXTLKSA-N 1 0 237.299 1.194 20 10 BDCDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C)ccc2O)C1 ZINC000271066198 385782049 /nfs/dbraw/zinc/78/20/49/385782049.db2.gz CJTAKLVXLFAVJP-LLVKDONJSA-N 1 0 249.310 1.696 20 10 BDCDRO CCN(CC(N)=O)Cc1c(O)cccc1Cl ZINC000231829989 385823364 /nfs/dbraw/zinc/82/33/64/385823364.db2.gz RTKPNHUYGOJZAH-UHFFFAOYSA-N 1 0 242.706 1.353 20 10 BDCDRO CC[C@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000272355108 385898244 /nfs/dbraw/zinc/89/82/44/385898244.db2.gz DQWGERXUKJTDKS-TVQRCGJNSA-N 1 0 239.290 1.734 20 10 BDCDRO COC[C@H](CO)[NH2+][C@H](C)c1ccc(C)cc1O ZINC000234838686 386106343 /nfs/dbraw/zinc/10/63/43/386106343.db2.gz VASWKLQCASEKSW-MNOVXSKESA-N 1 0 239.315 1.359 20 10 BDCDRO O=C1CCN(C[NH2+]Cc2ccccc2O)CC1 ZINC000275720490 386233415 /nfs/dbraw/zinc/23/34/15/386233415.db2.gz MAUZHZYHKLJANX-UHFFFAOYSA-N 1 0 234.299 1.104 20 10 BDCDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1O ZINC000227976229 386525024 /nfs/dbraw/zinc/52/50/24/386525024.db2.gz GVMJINDZUHHTOR-GWCFXTLKSA-N 1 0 237.299 1.022 20 10 BDCDRO COC[C@H](CCO)[NH2+][C@H](C)c1ccccc1O ZINC000228793936 386617659 /nfs/dbraw/zinc/61/76/59/386617659.db2.gz SPWVTWJNSOXVAH-MNOVXSKESA-N 1 0 239.315 1.440 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@@H](O)C1)c1ccc(N(C)C)cc1 ZINC000296094810 386708936 /nfs/dbraw/zinc/70/89/36/386708936.db2.gz YJZIETOCHFVXQO-VHRBIJSZSA-N 1 0 234.343 1.927 20 10 BDCDRO CC[C@H](C[NH2+]Cc1ccccc1O)OC ZINC000289984252 387108047 /nfs/dbraw/zinc/10/80/47/387108047.db2.gz ZZAYYBAPPFUZAN-LLVKDONJSA-N 1 0 209.289 1.907 20 10 BDCDRO Nc1ccc(NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000376245054 387614836 /nfs/dbraw/zinc/61/48/36/387614836.db2.gz OQIDGYIHSVUQHU-DGCLKSJQSA-N 1 0 231.299 1.207 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@H]2CCC(=O)N(C)C2)c1 ZINC000077900078 387918471 /nfs/dbraw/zinc/91/84/71/387918471.db2.gz WNSVWDFWZLIPMU-LBPRGKRZSA-N 1 0 248.326 1.411 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+]CCO)c(O)c1C ZINC000134911063 388481417 /nfs/dbraw/zinc/48/14/17/388481417.db2.gz KUYMPOPFDIGABL-JTQLQIEISA-N 1 0 209.289 1.652 20 10 BDCDRO Cc1ccc(O)c([C@@H](C)[NH2+][C@@H]2COC[C@H]2O)c1 ZINC000296052679 388416587 /nfs/dbraw/zinc/41/65/87/388416587.db2.gz VGJXPMAPCXAGSA-IRUJWGPZSA-N 1 0 237.299 1.111 20 10 BDCDRO C[C@@H](CCO)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297529343 388429212 /nfs/dbraw/zinc/42/92/12/388429212.db2.gz DLRNSVXYGKQESH-JQWIXIFHSA-N 1 0 235.327 1.988 20 10 BDCDRO CCCC[C@H](C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000262596513 135307859 /nfs/dbraw/zinc/30/78/59/135307859.db2.gz KZLZQRILGCHSGT-CYBMUJFWSA-N 1 0 249.358 1.445 20 10 BDCDRO CC(C)OCC[NH2+]Cc1ccccc1O ZINC000134123822 167241208 /nfs/dbraw/zinc/24/12/08/167241208.db2.gz ZWWWQEVQLQYSKJ-UHFFFAOYSA-N 1 0 209.289 1.907 20 10 BDCDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000036781641 167061263 /nfs/dbraw/zinc/06/12/63/167061263.db2.gz JPFMCVPMJOABMV-SNVBAGLBSA-N 1 0 236.315 1.567 20 10 BDCDRO CCNC(=O)[C@H](C)[NH2+]Cc1cccc(C)c1O ZINC000127869491 170095311 /nfs/dbraw/zinc/09/53/11/170095311.db2.gz QHKIFUIRJYYHID-JTQLQIEISA-N 1 0 236.315 1.315 20 10 BDCDRO CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000169816531 171396329 /nfs/dbraw/zinc/39/63/29/171396329.db2.gz OHOVGZVHSMDYTL-KWQFWETISA-N 1 0 221.304 1.581 20 10 BDCDRO CN(C)C(=[NH2+])NCc1ccc2c(c1)CCN2C ZINC000364414820 172353065 /nfs/dbraw/zinc/35/30/65/172353065.db2.gz JZTVZTYQHREYOG-UHFFFAOYSA-N 1 0 232.331 1.265 20 10 BDCDRO CN1CC[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000042546028 173153540 /nfs/dbraw/zinc/15/35/40/173153540.db2.gz XQFLFERGZXYKHM-ZDUSSCGKSA-N 1 0 232.327 1.415 20 10 BDCDRO CNC(=O)CCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297589331 173243937 /nfs/dbraw/zinc/24/39/37/173243937.db2.gz HOEPDKUFLZIJQC-NSHDSACASA-N 1 0 248.326 1.495 20 10 BDCDRO CNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(N(C)C)cc1 ZINC000042561809 173303051 /nfs/dbraw/zinc/30/30/51/173303051.db2.gz JHTVXEZBDCOCPM-QWRGUYRKSA-N 1 0 249.358 1.538 20 10 BDCDRO C[NH2+]C[C@H](C)C(=O)NCc1ccc(N(C)C)cc1 ZINC000092135704 173374553 /nfs/dbraw/zinc/37/45/53/173374553.db2.gz BOMBDRPPTRBQTL-NSHDSACASA-N 1 0 249.358 1.224 20 10 BDCDRO COCCC[NH2+]Cc1cc(OC)ccc1O ZINC000020143038 174246957 /nfs/dbraw/zinc/24/69/57/174246957.db2.gz CWSXKYCTBMSDHD-UHFFFAOYSA-N 1 0 225.288 1.527 20 10 BDCDRO COCCC[NH2+]Cc1cccc(OC)c1O ZINC000020142381 174248439 /nfs/dbraw/zinc/24/84/39/174248439.db2.gz NMADKNFDXSKFFL-UHFFFAOYSA-N 1 0 225.288 1.527 20 10 BDCDRO COc1ccc(O)c(C[N@H+]2CC[C@H](OC)C2)c1 ZINC000234891114 175157022 /nfs/dbraw/zinc/15/70/22/175157022.db2.gz RQGDNTRCNHMSOP-LBPRGKRZSA-N 1 0 237.299 1.622 20 10 BDCDRO COc1ccc(O)c(C[N@H+](C)C[C@@H](C)O)c1 ZINC000130695426 175157228 /nfs/dbraw/zinc/15/72/28/175157228.db2.gz NTARVJUBXJIWQJ-SECBINFHSA-N 1 0 225.288 1.213 20 10 BDCDRO COc1ccc(O)c(C[NH2+]C[C@H](C)OC)c1 ZINC000191204764 175159055 /nfs/dbraw/zinc/15/90/55/175159055.db2.gz GUQZTYYIHCMZGT-VIFPVBQESA-N 1 0 225.288 1.525 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC[C@@H](C)O)c1 ZINC000085983766 175160162 /nfs/dbraw/zinc/16/01/62/175160162.db2.gz HXWSWCHZYGUJAC-NXEZZACHSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc(CN(C)[C@H]2CC[NH2+]C2)c1O ZINC000071309235 175254849 /nfs/dbraw/zinc/25/48/49/175254849.db2.gz KYDFPZDDAAUKNY-NSHDSACASA-N 1 0 236.315 1.195 20 10 BDCDRO COc1cccc(C[NH2+]C2(CO)CCC2)c1O ZINC000133165525 175263739 /nfs/dbraw/zinc/26/37/39/175263739.db2.gz HTSYNKSSXSHCQG-UHFFFAOYSA-N 1 0 237.299 1.405 20 10 BDCDRO COc1cccc(C[NH2+]C[C@@H](C)OC)c1O ZINC000191201259 175264031 /nfs/dbraw/zinc/26/40/31/175264031.db2.gz AHTLKBZOCFERLP-SECBINFHSA-N 1 0 225.288 1.525 20 10 BDCDRO COc1cccc(C[NH2+]CCCCCO)c1O ZINC000083367179 175264596 /nfs/dbraw/zinc/26/45/96/175264596.db2.gz SHDUTMMWHVWHRR-UHFFFAOYSA-N 1 0 239.315 1.653 20 10 BDCDRO COc1cccc(C[NH2+][C@H]2CCOC2)c1O ZINC000087784617 175268252 /nfs/dbraw/zinc/26/82/52/175268252.db2.gz YZAXLUWBVRWCBL-JTQLQIEISA-N 1 0 223.272 1.279 20 10 BDCDRO Nc1ccc(CCNC(=O)CC[NH2+]C2CC2)cc1 ZINC000848394631 582760862 /nfs/dbraw/zinc/76/08/62/582760862.db2.gz NGNVQUWOLWTVGG-UHFFFAOYSA-N 1 0 247.342 1.070 20 10 BDCDRO CCC[NH2+]Cc1ccc(OC)c(OC)c1O ZINC000892443520 582888181 /nfs/dbraw/zinc/88/81/81/582888181.db2.gz HHZSAFNEOGBVSF-UHFFFAOYSA-N 1 0 225.288 1.909 20 10 BDCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(CO)C2)c1O ZINC000783739759 582961801 /nfs/dbraw/zinc/96/18/01/582961801.db2.gz HTIFDQVGURGVGC-SMDDNHRTSA-N 1 0 249.310 1.215 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCO[C@@H](CF)C2)c1 ZINC000840955389 583183315 /nfs/dbraw/zinc/18/33/15/583183315.db2.gz UMIOPGPGQMNWBF-LBPRGKRZSA-N 1 0 239.290 1.871 20 10 BDCDRO Cc1cccc(C[N@H+]2CC[C@H]3CN(C)C[C@H]32)c1O ZINC000814173155 583342799 /nfs/dbraw/zinc/34/27/99/583342799.db2.gz HDIXITNLYCAHNU-GXTWGEPZSA-N 1 0 246.354 1.837 20 10 BDCDRO C[NH+](C)C1CC(NC(=O)C2=CC(=O)CS2)C1 ZINC000857231215 588896997 /nfs/dbraw/zinc/89/69/97/588896997.db2.gz ZISZQRXMXLWLAN-UHFFFAOYSA-N 1 0 240.328 1.276 20 10 BDCDRO C[C@@H]([NH2+]C1CCN(C=O)CC1)c1ccccc1O ZINC000895852353 583736606 /nfs/dbraw/zinc/73/66/06/583736606.db2.gz SSRCNWDAUAIOLE-LLVKDONJSA-N 1 0 248.326 1.664 20 10 BDCDRO COCC1C[NH+](Cc2ccccc2O)C1 ZINC000895971267 583756465 /nfs/dbraw/zinc/75/64/65/583756465.db2.gz KMUQSNLBUIRPPD-UHFFFAOYSA-N 1 0 207.273 1.470 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]Cc2cn(C)cn2)c1 ZINC000858239570 588940426 /nfs/dbraw/zinc/94/04/26/588940426.db2.gz PREQEAQSSQGJDK-UHFFFAOYSA-N 1 0 231.299 1.724 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000863484853 583992110 /nfs/dbraw/zinc/99/21/10/583992110.db2.gz NYUXJVCBLDKPRW-AAEUAGOBSA-N 1 0 234.343 1.931 20 10 BDCDRO Cc1cc(N(C)C)ccc1C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000897680119 584038599 /nfs/dbraw/zinc/03/85/99/584038599.db2.gz PIGUGQQMCIHYCD-WFASDCNBSA-N 1 0 248.370 1.874 20 10 BDCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H]1O ZINC000897684465 584040522 /nfs/dbraw/zinc/04/05/22/584040522.db2.gz PPMTWQJDBJEWHT-CABZTGNLSA-N 1 0 207.273 1.205 20 10 BDCDRO OCCC1CC([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000898008059 584070457 /nfs/dbraw/zinc/07/04/57/584070457.db2.gz KQGDXEWMMONGAU-UHFFFAOYSA-N 1 0 247.338 1.872 20 10 BDCDRO COc1cccc(C[NH2+]Cc2cn(C)cn2)c1O ZINC000898045240 584072865 /nfs/dbraw/zinc/07/28/65/584072865.db2.gz JUNOXILWPARAFD-UHFFFAOYSA-N 1 0 247.298 1.424 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@@H](F)C1 ZINC000898188126 584093811 /nfs/dbraw/zinc/09/38/11/584093811.db2.gz KGDUNVCQJLOXQC-WCQYABFASA-N 1 0 239.290 1.605 20 10 BDCDRO [NH3+]C1(C[NH2+]Cc2cc(F)ccc2O)CCC1 ZINC000841049243 584124948 /nfs/dbraw/zinc/12/49/48/584124948.db2.gz PNINAMWAINBNMM-UHFFFAOYSA-N 1 0 224.279 1.502 20 10 BDCDRO Cc1ccc(O)c(CN[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000841059554 584126098 /nfs/dbraw/zinc/12/60/98/584126098.db2.gz UJYDYXAGSDGXKZ-YPMHNXCESA-N 1 0 234.343 1.788 20 10 BDCDRO CC[C@H]1C(=O)NCCC[N@H+]1Cc1ccccc1O ZINC000898558199 584141871 /nfs/dbraw/zinc/14/18/71/584141871.db2.gz NZXQXZPQOWFOLK-LBPRGKRZSA-N 1 0 248.326 1.493 20 10 BDCDRO COc1ccc(O)c(CN[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903964115 584833804 /nfs/dbraw/zinc/83/38/04/584833804.db2.gz MEJSVHRXKVPNJL-BXKDBHETSA-N 1 0 236.315 1.098 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc2c(c1)CCCO2 ZINC000904388068 584877726 /nfs/dbraw/zinc/87/77/26/584877726.db2.gz AYVAPMWZPWBEQX-BXUZGUMPSA-N 1 0 246.354 1.709 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H]2CNOC2)cc1C ZINC000904421511 584881861 /nfs/dbraw/zinc/88/18/61/584881861.db2.gz HQUCCIZCJWSDNU-LLVKDONJSA-N 1 0 222.288 1.002 20 10 BDCDRO COc1cccc(O)c1C[NH2+]CC1(O)CCC1 ZINC000732229294 584934876 /nfs/dbraw/zinc/93/48/76/584934876.db2.gz OWCJFEXGQSAUQV-UHFFFAOYSA-N 1 0 237.299 1.405 20 10 BDCDRO COc1cccc(C[NH+]2CC(C)(CO)C2)c1O ZINC000839145485 585092095 /nfs/dbraw/zinc/09/20/95/585092095.db2.gz LYEOYAWDMJVOAG-UHFFFAOYSA-N 1 0 237.299 1.215 20 10 BDCDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(C)ccc1O ZINC000839193600 585097908 /nfs/dbraw/zinc/09/79/08/585097908.db2.gz UBRLGSMQOKPAMB-WCQYABFASA-N 1 0 237.299 1.204 20 10 BDCDRO O=C1NCCC[C@@H]1C[NH2+]Cc1ccccc1O ZINC000839196651 585098782 /nfs/dbraw/zinc/09/87/82/585098782.db2.gz WRUOOWZWTLRZAW-LLVKDONJSA-N 1 0 234.299 1.008 20 10 BDCDRO [NH3+][C@H]1CCN(Cc2cc(F)ccc2O)C1 ZINC000219836505 585149545 /nfs/dbraw/zinc/14/95/45/585149545.db2.gz IEILJIJOVPAZBY-JTQLQIEISA-N 1 0 210.252 1.064 20 10 BDCDRO Cc1nc[nH]c1CNC(=O)C1=CC(=O)CS1 ZINC000748405857 585192321 /nfs/dbraw/zinc/19/23/21/585192321.db2.gz NKZNTKNNDQSCTO-UHFFFAOYSA-N 1 0 237.284 1.415 20 10 BDCDRO COC(=O)/C(C)=C\C[N@H+](C)Cc1ccccc1O ZINC000748815557 585196674 /nfs/dbraw/zinc/19/66/74/585196674.db2.gz BDOCVLHGXSKWEU-FLIBITNWSA-N 1 0 249.310 1.943 20 10 BDCDRO Cc1cc(C[NH2+]Cc2ccccc2O)ncn1 ZINC000756989014 585326147 /nfs/dbraw/zinc/32/61/47/585326147.db2.gz AUUFHCBNQFWVJM-UHFFFAOYSA-N 1 0 229.283 1.780 20 10 BDCDRO C[C@H](Cc1cnn(C)c1)[NH2+]Cc1ccccc1O ZINC000768400929 585537905 /nfs/dbraw/zinc/53/79/05/585537905.db2.gz BODBABPFVDYDNJ-LLVKDONJSA-N 1 0 245.326 1.847 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)[C@H]2CCNC2=O)c1 ZINC000770377674 585573459 /nfs/dbraw/zinc/57/34/59/585573459.db2.gz BDCUJJLZVNJWAF-NSHDSACASA-N 1 0 234.299 1.021 20 10 BDCDRO Cc1cccc(C[N@@H+]2CCCNC(=O)C2)c1O ZINC000775663688 585682626 /nfs/dbraw/zinc/68/26/26/585682626.db2.gz NFOLRIJFTHJTMF-UHFFFAOYSA-N 1 0 234.299 1.023 20 10 BDCDRO C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2O)CCN1C ZINC000775985862 585688916 /nfs/dbraw/zinc/68/89/16/585688916.db2.gz PGZKXTOGCMQLMF-NEPJUHHUSA-N 1 0 234.343 1.917 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](CO)C2CC2)c1 ZINC000776176980 585691854 /nfs/dbraw/zinc/69/18/54/585691854.db2.gz HDTFAGCSZVLGJJ-GFCCVEGCSA-N 1 0 237.299 1.261 20 10 BDCDRO Oc1ccc(F)cc1CN1CCc2c[nH]nc2C1 ZINC000779021461 585744251 /nfs/dbraw/zinc/74/42/51/585744251.db2.gz YXTSMBCBHSESMT-UHFFFAOYSA-N 1 0 247.273 1.813 20 10 BDCDRO Cc1ccc(O)c(C[NH2+]C2(CC(N)=O)CCC2)c1 ZINC000779364674 585752638 /nfs/dbraw/zinc/75/26/38/585752638.db2.gz DPYAOPXPMROMFI-UHFFFAOYSA-N 1 0 248.326 1.588 20 10 BDCDRO COc1cc(O)c(C[NH+]2CC(C)C2)cc1OC ZINC000802651100 586307402 /nfs/dbraw/zinc/30/74/02/586307402.db2.gz IQVBXOQQZZEEIT-UHFFFAOYSA-N 1 0 237.299 1.861 20 10 BDCDRO CC(=O)C(=O)CSCC[NH+](C(C)C)C(C)C ZINC000808029022 586459319 /nfs/dbraw/zinc/45/93/19/586459319.db2.gz PDFBPXLINGOKPT-UHFFFAOYSA-N 1 0 245.388 1.997 20 10 BDCDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000808425213 586472073 /nfs/dbraw/zinc/47/20/73/586472073.db2.gz QRBFPLJEVZLJFJ-NXEZZACHSA-N 1 0 240.322 1.751 20 10 BDCDRO C[N@@H+](Cc1cc(F)ccc1O)C[C@@H](O)C1CC1 ZINC000809753148 586518069 /nfs/dbraw/zinc/51/80/69/586518069.db2.gz ZUNXYDPLBQJDSY-CYBMUJFWSA-N 1 0 239.290 1.734 20 10 BDCDRO C[NH2+]CCN[C@H](C)c1cc(OC)ccc1O ZINC000817951401 586847903 /nfs/dbraw/zinc/84/79/03/586847903.db2.gz FKLAJPWYEURIGL-SECBINFHSA-N 1 0 224.304 1.271 20 10 BDCDRO CC[NH2+]CCN[C@H](C)c1ccccc1O ZINC000817953297 586848717 /nfs/dbraw/zinc/84/87/17/586848717.db2.gz ZGIVZFLPOSXBMT-SNVBAGLBSA-N 1 0 208.305 1.652 20 10 BDCDRO C[NH2+]CCN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817953168 586849204 /nfs/dbraw/zinc/84/92/04/586849204.db2.gz OAGOLQLPSXRSIJ-LLVKDONJSA-N 1 0 221.348 1.623 20 10 BDCDRO C[C@H](NC1C[NH2+]C1)c1cc(Cl)ccc1O ZINC000817955483 586850088 /nfs/dbraw/zinc/85/00/88/586850088.db2.gz BWTODNNLFXBEDZ-ZETCQYMHSA-N 1 0 226.707 1.668 20 10 BDCDRO C[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(N)cc1 ZINC000817957634 586850632 /nfs/dbraw/zinc/85/06/32/586850632.db2.gz NHBJGIHSTBYUOL-BXUZGUMPSA-N 1 0 234.343 1.826 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(C)(C)[NH3+])c1 ZINC000817960567 586851358 /nfs/dbraw/zinc/85/13/58/586851358.db2.gz OKAGZENZMJUEBO-SECBINFHSA-N 1 0 238.331 1.789 20 10 BDCDRO C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)cc1[O-] ZINC000817965928 586855059 /nfs/dbraw/zinc/85/50/59/586855059.db2.gz XCTLLZKVBKZMII-PELKAZGASA-N 1 0 238.306 1.919 20 10 BDCDRO C[C@@H](N[C@@H](C)C[NH3+])c1ccc(N(C)C)cc1 ZINC000817970476 586858124 /nfs/dbraw/zinc/85/81/24/586858124.db2.gz WXTMJRLROFBMPS-WDEREUQCSA-N 1 0 221.348 1.750 20 10 BDCDRO C[C@@H]([NH3+])CN[C@H](C)c1ccc(N(C)C)cc1 ZINC000817972183 586859760 /nfs/dbraw/zinc/85/97/60/586859760.db2.gz UWPPINVTCIYUCL-GHMZBOCLSA-N 1 0 221.348 1.750 20 10 BDCDRO C[C@@H](NC[C@H](C)[NH3+])c1cc(F)ccc1O ZINC000817972760 586859826 /nfs/dbraw/zinc/85/98/26/586859826.db2.gz OIOFJEYESTZWBM-JGVFFNPUSA-N 1 0 212.268 1.529 20 10 BDCDRO C[C@@H]([NH2+]C[C@@H]1C[C@H](F)CN1)c1ccccc1O ZINC000817976848 586860380 /nfs/dbraw/zinc/86/03/80/586860380.db2.gz VLXBKAZERBGAKS-VWYCJHECSA-N 1 0 238.306 1.743 20 10 BDCDRO C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(F)cc1[O-] ZINC000817977639 586862123 /nfs/dbraw/zinc/86/21/23/586862123.db2.gz MFCQYIGPYXNUKX-UVRHIYEWSA-N 1 0 236.290 1.400 20 10 BDCDRO COc1ccc(O)c(C[NH+]2CC3(CC3)C2)c1 ZINC000824533113 587273588 /nfs/dbraw/zinc/27/35/88/587273588.db2.gz AWLKHYCYQDKTLW-UHFFFAOYSA-N 1 0 219.284 1.997 20 10 BDCDRO Oc1ccc(Cl)cc1C[NH2+][C@H]1C[C@@H](O)C1 ZINC000825256990 587311211 /nfs/dbraw/zinc/31/12/11/587311211.db2.gz PWMFBZJZGQOEMI-AOOOYVTPSA-N 1 0 227.691 1.659 20 10 BDCDRO Nc1ccc(CC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000834860627 587768853 /nfs/dbraw/zinc/76/88/53/587768853.db2.gz CKRAUQBJEQKKQX-YPMHNXCESA-N 1 0 247.342 1.055 20 10 BDCDRO C[C@]1(C[NH2+]Cc2ccccc2O)CCC(=O)N1 ZINC000835059828 587780020 /nfs/dbraw/zinc/78/00/20/587780020.db2.gz DXAFVEJOFDEYCU-CYBMUJFWSA-N 1 0 234.299 1.151 20 10 BDCDRO Cc1cc(O)c(C[NH2+]CCCO)c(Cl)c1 ZINC000840871576 587926537 /nfs/dbraw/zinc/92/65/37/587926537.db2.gz DGZYOICWHNUKKB-UHFFFAOYSA-N 1 0 229.707 1.826 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@@H](C)CO)c(Cl)c1 ZINC000840903712 587928684 /nfs/dbraw/zinc/92/86/84/587928684.db2.gz HWVALNXRNPNGGT-QMMMGPOBSA-N 1 0 229.707 1.824 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@H]1CCC[NH2+]C1 ZINC000841043870 587939056 /nfs/dbraw/zinc/93/90/56/587939056.db2.gz YBUWOJJOZLFIIP-AWEZNQCLSA-N 1 0 247.386 1.903 20 10 BDCDRO Cc1cc(N(C)C)ccc1CN[C@H]1CC[NH2+]C1 ZINC000841045327 587939065 /nfs/dbraw/zinc/93/90/65/587939065.db2.gz SVVBEJPBXMBIND-ZDUSSCGKSA-N 1 0 233.359 1.513 20 10 BDCDRO COc1cccc(CN[C@H]2CCC[NH2+]C2)c1O ZINC000841043663 587939391 /nfs/dbraw/zinc/93/93/91/587939391.db2.gz UWQLBEXCZCHNDR-NSHDSACASA-N 1 0 236.315 1.242 20 10 BDCDRO C[C@H]1CC[NH2+]C[C@@H]1NCc1cc(F)ccc1O ZINC000841058452 587940482 /nfs/dbraw/zinc/94/04/82/587940482.db2.gz HEMWVDSLODJIKO-CABZTGNLSA-N 1 0 238.306 1.619 20 10 BDCDRO c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc2c1OCC2 ZINC000841057766 587940725 /nfs/dbraw/zinc/94/07/25/587940725.db2.gz NHCPCPPTTLVKSU-CQSZACIVSA-N 1 0 246.354 1.853 20 10 BDCDRO [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000841058202 587940760 /nfs/dbraw/zinc/94/07/60/587940760.db2.gz QKQSOEKQXVBMKY-RYUDHWBXSA-N 1 0 238.306 1.891 20 10 BDCDRO Cc1cc(O)c(CN[C@H](C)C[NH3+])c(Cl)c1 ZINC000841059757 587942178 /nfs/dbraw/zinc/94/21/78/587942178.db2.gz BKBVHYVYIMNNAD-MRVPVSSYSA-N 1 0 228.723 1.791 20 10 BDCDRO CC[C@H]([NH3+])CNCc1ccc(N(C)C)cc1 ZINC000841070595 587942754 /nfs/dbraw/zinc/94/27/54/587942754.db2.gz RIJNJQNDJIIUBC-LBPRGKRZSA-N 1 0 221.348 1.580 20 10 BDCDRO CN(C)c1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1F ZINC000841078535 587945014 /nfs/dbraw/zinc/94/50/14/587945014.db2.gz UNVNWVTZQQGJSO-YABSGUDNSA-N 1 0 249.333 1.199 20 10 BDCDRO Cc1ccc(O)c(CN[C@@H]2CCCC[NH2+]C2)c1 ZINC000841091403 587946654 /nfs/dbraw/zinc/94/66/54/587946654.db2.gz XCHSDJQCGVSVBZ-CYBMUJFWSA-N 1 0 234.343 1.932 20 10 BDCDRO Cc1cc(O)c(CN(C)CC[NH3+])cc1C ZINC000841100043 587946722 /nfs/dbraw/zinc/94/67/22/587946722.db2.gz DAQAQUFLSCEYLZ-UHFFFAOYSA-N 1 0 208.305 1.400 20 10 BDCDRO COc1cccc(O)c1CN(C)[C@H]1CC[NH2+]C1 ZINC000843049599 588076822 /nfs/dbraw/zinc/07/68/22/588076822.db2.gz SJPWJGGOTJZNNV-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO Cc1cccc(CN2CC[NH2+][C@H](C)[C@@H]2C)c1O ZINC000843058276 588078223 /nfs/dbraw/zinc/07/82/23/588078223.db2.gz QSMRZGWLHWAIGT-NEPJUHHUSA-N 1 0 234.343 1.883 20 10 BDCDRO CC1([NH3+])CC[NH+](Cc2cccc(F)c2[O-])CC1 ZINC000843108014 588081748 /nfs/dbraw/zinc/08/17/48/588081748.db2.gz QUYUVUKVUBXBQN-UHFFFAOYSA-N 1 0 238.306 1.845 20 10 BDCDRO C[C@@H]1C[NH2+]C[C@@H](Nc2ccc(N)cc2)C1 ZINC000843126668 588084094 /nfs/dbraw/zinc/08/40/94/588084094.db2.gz SOEGIIHVRNLVDY-CABZTGNLSA-N 1 0 205.305 1.679 20 10 BDCDRO Nc1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000843294795 588098115 /nfs/dbraw/zinc/09/81/15/588098115.db2.gz JVHBJNJPJOVIOF-UHFFFAOYSA-N 1 0 219.288 1.479 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]CCCO)c1O ZINC000846138541 588258306 /nfs/dbraw/zinc/25/83/06/588258306.db2.gz WCVVVJPQWXMNOK-SECBINFHSA-N 1 0 225.288 1.434 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]CC(C)(C)O)c1O ZINC000846148191 588258625 /nfs/dbraw/zinc/25/86/25/588258625.db2.gz YBHUZFSEMVBQDK-SECBINFHSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@@H](C)[NH2+]Cc2cc[nH]n2)c1O ZINC000846148161 588258662 /nfs/dbraw/zinc/25/86/62/588258662.db2.gz XUFGKJLBMGEZGO-SECBINFHSA-N 1 0 247.298 1.975 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@H](C)CCO)c1O ZINC000846148457 588258842 /nfs/dbraw/zinc/25/88/42/588258842.db2.gz ZQIAZJMAXXYUFA-ZJUUUORDSA-N 1 0 239.315 1.822 20 10 BDCDRO COc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](O)C2)c1O ZINC000846168812 588259134 /nfs/dbraw/zinc/25/91/34/588259134.db2.gz LZMMZDFMZMCHJO-LPEHRKFASA-N 1 0 237.299 1.575 20 10 BDCDRO C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(F)c1[O-] ZINC000846701859 588283806 /nfs/dbraw/zinc/28/38/06/588283806.db2.gz DUANCMORAXKYFR-KOLCDFICSA-N 1 0 238.306 1.843 20 10 BDCDRO Nc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000848393236 588376601 /nfs/dbraw/zinc/37/66/01/588376601.db2.gz WADVVWJOSWXJOS-GXTWGEPZSA-N 1 0 245.326 1.597 20 10 BDCDRO CCc1cccc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1O ZINC000848912256 588419683 /nfs/dbraw/zinc/41/96/83/588419683.db2.gz CTWDIWACXGIERZ-WDNDVIMCSA-N 1 0 247.338 1.625 20 10 BDCDRO NC(=[NH2+])NCc1cc(Br)ccc1O ZINC000849049106 588451470 /nfs/dbraw/zinc/45/14/70/588451470.db2.gz DNUBSFPWKRIQNN-UHFFFAOYSA-N 1 0 244.092 1.138 20 10 BDCDRO OC[C@@H](C[NH2+]Cc1ccccc1O)CC1CC1 ZINC000850386583 588542556 /nfs/dbraw/zinc/54/25/56/588542556.db2.gz MHDJLWJVYYIXOO-GFCCVEGCSA-N 1 0 235.327 1.890 20 10 BDCDRO Oc1cccc(Cl)c1C[NH2+][C@H]1C[C@H](O)C1 ZINC000850417959 588545152 /nfs/dbraw/zinc/54/51/52/588545152.db2.gz SQSKGLOHNIBGBS-ZKCHVHJHSA-N 1 0 227.691 1.659 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1CCNC1=O)c1ccc(C)cc1O ZINC000850481253 588551824 /nfs/dbraw/zinc/55/18/24/588551824.db2.gz IFNAYRGLZOGLSI-NEPJUHHUSA-N 1 0 248.326 1.630 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1ccccc1O ZINC000850579043 588561461 /nfs/dbraw/zinc/56/14/61/588561461.db2.gz RFOIFYXRJDVRLC-CKYFFXLPSA-N 1 0 221.300 1.956 20 10 BDCDRO C[C@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(F)ccc1O ZINC000850578284 588561718 /nfs/dbraw/zinc/56/17/18/588561718.db2.gz IYUCEQYNSRSHPF-HGNGGELXSA-N 1 0 225.263 1.705 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@H](O)C1)c1cc(F)ccc1O ZINC000850578285 588561869 /nfs/dbraw/zinc/56/18/69/588561869.db2.gz IYUCEQYNSRSHPF-SZEHBUNVSA-N 1 0 225.263 1.705 20 10 BDCDRO CCN1CC[C@@H]([N@H+](C)Cc2ccccc2O)C1=O ZINC000851841493 588634440 /nfs/dbraw/zinc/63/44/40/588634440.db2.gz UBISZYARWFDVJO-GFCCVEGCSA-N 1 0 248.326 1.445 20 10 BDCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@@H]3C1)OCO2 ZINC000862440000 589212983 /nfs/dbraw/zinc/21/29/83/589212983.db2.gz DCRHELDULOQMAF-DTORHVGOSA-N 1 0 233.267 1.573 20 10 BDCDRO C[C@@H]1CC[C@@H](NCc2cc(F)ccc2O)C[NH2+]1 ZINC000863484628 589293103 /nfs/dbraw/zinc/29/31/03/589293103.db2.gz KDHJOHLQDZFPQV-BXKDBHETSA-N 1 0 238.306 1.761 20 10 BDCDRO Nc1ccc(CC[NH2+]CC2=CCCOC2)cc1 ZINC000863642044 589306469 /nfs/dbraw/zinc/30/64/69/589306469.db2.gz PHTKDIKRUMHRRF-UHFFFAOYSA-N 1 0 232.327 1.748 20 10 BDCDRO C[C@H](CCO)[NH2+]Cc1ccc(N(C)C)c(F)c1 ZINC000119654569 589322254 /nfs/dbraw/zinc/32/22/54/589322254.db2.gz YSNGHHGMFFIHDR-SNVBAGLBSA-N 1 0 240.322 1.752 20 10 BDCDRO COc1ccc(O)c(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)c1 ZINC000864462051 589369103 /nfs/dbraw/zinc/36/91/03/589369103.db2.gz RCQWKHIPLSHDHQ-GZMMTYOYSA-N 1 0 249.314 1.423 20 10 BDCDRO C[C@H]([NH2+]Cc1ccccc1O)[C@H](O)C(F)(F)F ZINC000865711768 589458039 /nfs/dbraw/zinc/45/80/39/589458039.db2.gz QIGBYQYMOODXPY-XVKPBYJWSA-N 1 0 249.232 1.794 20 10 BDCDRO CN(C)c1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000123081302 589660925 /nfs/dbraw/zinc/66/09/25/589660925.db2.gz GTBUJRVWGWCUOG-UHFFFAOYSA-N 1 0 249.358 1.354 20 10 BDCDRO C[C@@H](NC(=O)CC[NH2+]C1CC1)c1ccccc1O ZINC000870988422 589707262 /nfs/dbraw/zinc/70/72/62/589707262.db2.gz OWRCQFPXGLXZDR-SNVBAGLBSA-N 1 0 248.326 1.712 20 10 BDCDRO C[C@H](NC(=O)CCCC[NH3+])c1ccccc1O ZINC000870988302 589707214 /nfs/dbraw/zinc/70/72/14/589707214.db2.gz MESNODMMMIHFAY-JTQLQIEISA-N 1 0 236.315 1.698 20 10 BDCDRO CCOc1cccc(C[NH2+]CCCOC)c1O ZINC000020142375 590078383 /nfs/dbraw/zinc/07/83/83/590078383.db2.gz BIUVCAYKMDKWBP-UHFFFAOYSA-N 1 0 239.315 1.917 20 10 BDCDRO COc1ccc(N(C)CC[NH3+])c(OC)c1 ZINC000020239759 590090715 /nfs/dbraw/zinc/09/07/15/590090715.db2.gz JQZNBNUKHBGZEA-UHFFFAOYSA-N 1 0 210.277 1.099 20 10 BDCDRO Cc1cccc(O)c1C[NH+]1CCC(C(N)=O)CC1 ZINC000876526815 590208859 /nfs/dbraw/zinc/20/88/59/590208859.db2.gz GVODVRSWIVJTQC-UHFFFAOYSA-N 1 0 248.326 1.398 20 10 BDCDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C)cc2O)C1 ZINC000876594914 590219610 /nfs/dbraw/zinc/21/96/10/590219610.db2.gz TXJZDMDYSAJRAT-LBPRGKRZSA-N 1 0 249.310 1.696 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCn1ccnc1 ZINC000876891596 590255034 /nfs/dbraw/zinc/25/50/34/590255034.db2.gz BUXYAORGUGBYAB-UHFFFAOYSA-N 1 0 231.299 1.687 20 10 BDCDRO CC(=O)NCCC[NH2+]Cc1ccc(C)cc1O ZINC000876913484 590256359 /nfs/dbraw/zinc/25/63/59/590256359.db2.gz RQKVMDXXCZRUNG-UHFFFAOYSA-N 1 0 236.315 1.316 20 10 BDCDRO C[C@@H]1CC[C@H](NC(=O)Cc2ccc(N)cc2)C[NH2+]1 ZINC000877047528 590274447 /nfs/dbraw/zinc/27/44/47/590274447.db2.gz BQELDEOUYDMGSA-MFKMUULPSA-N 1 0 247.342 1.068 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](C)CCO)c(O)c1 ZINC000877052116 590274765 /nfs/dbraw/zinc/27/47/65/590274765.db2.gz RLDYHBHHSROUQP-JTQLQIEISA-N 1 0 209.289 1.561 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]CCC[S@](C)=O ZINC000877052458 590275446 /nfs/dbraw/zinc/27/54/46/590275446.db2.gz XGFJEHVABHLVGG-INIZCTEOSA-N 1 0 241.356 1.559 20 10 BDCDRO Cc1ccc(C[NH2+]C[C@@H](C)CCO)c(O)c1 ZINC000877068498 590277164 /nfs/dbraw/zinc/27/71/64/590277164.db2.gz XSZMJNWGUHYVHD-NSHDSACASA-N 1 0 223.316 1.809 20 10 BDCDRO CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)c1ccc(N)cc1 ZINC000877077682 590279299 /nfs/dbraw/zinc/27/92/99/590279299.db2.gz QVYSMSKSXUFYON-GXTWGEPZSA-N 1 0 245.326 1.231 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](CO)CC2CC2)c(O)c1 ZINC000877117535 590288284 /nfs/dbraw/zinc/28/82/84/590288284.db2.gz GRRUUMDXVJZOOT-CYBMUJFWSA-N 1 0 235.327 1.951 20 10 BDCDRO Cc1ccc(C[NH2+][C@@](C)(CO)C2CC2)c(O)c1 ZINC000877159040 590293845 /nfs/dbraw/zinc/29/38/45/590293845.db2.gz REYSKXLKNXTSGX-AWEZNQCLSA-N 1 0 235.327 1.951 20 10 BDCDRO CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccccc1O ZINC000877255649 590304127 /nfs/dbraw/zinc/30/41/27/590304127.db2.gz GMNNGZXJLSKZIH-ZJUUUORDSA-N 1 0 236.315 1.567 20 10 BDCDRO Cc1ccc(C[NH2+]CCC[C@H](C)O)c(O)c1 ZINC000877484905 590334829 /nfs/dbraw/zinc/33/48/29/590334829.db2.gz SKEYAEQMCHZWFE-NSHDSACASA-N 1 0 223.316 1.951 20 10 BDCDRO Cc1ccc(C[NH2+][C@@H](CO)CC(F)F)c(O)c1 ZINC000877479306 590336590 /nfs/dbraw/zinc/33/65/90/590336590.db2.gz UYPUWOUVDCGYRT-SNVBAGLBSA-N 1 0 245.269 1.806 20 10 BDCDRO Cc1cccc(O)c1C[N@H+](C)CCOCCO ZINC000877502641 590342483 /nfs/dbraw/zinc/34/24/83/590342483.db2.gz OTPJQQYSTCZDJJ-UHFFFAOYSA-N 1 0 239.315 1.141 20 10 BDCDRO COC[C@@H]1CC[N@@H+]1Cc1ccc(C)cc1O ZINC000877550147 590354727 /nfs/dbraw/zinc/35/47/27/590354727.db2.gz MQZGNNDDODYNTD-LBPRGKRZSA-N 1 0 221.300 1.921 20 10 BDCDRO Cc1cccc(O)c1C[N@H+]1C[C@H]2CCN(C)[C@H]2C1 ZINC000877568197 590361524 /nfs/dbraw/zinc/36/15/24/590361524.db2.gz ZTUZVOAUILEVCQ-OCCSQVGLSA-N 1 0 246.354 1.837 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C)cc1O ZINC000877573635 590362630 /nfs/dbraw/zinc/36/26/30/590362630.db2.gz SWNYFNRLBRKRSB-JTQLQIEISA-N 1 0 236.315 1.315 20 10 BDCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(C)CCC(=O)N1 ZINC000877578058 590363621 /nfs/dbraw/zinc/36/36/21/590363621.db2.gz SFVXDHVIUVICQL-AWEZNQCLSA-N 1 0 248.326 1.459 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)[C@H](C)CCO ZINC000877614610 590373835 /nfs/dbraw/zinc/37/38/35/590373835.db2.gz FRRYHKXSPRQMCP-LLVKDONJSA-N 1 0 223.316 1.903 20 10 BDCDRO C[NH2+]C[C@@H]1CCCN1Cc1cc(C)ccc1O ZINC000133040077 591757469 /nfs/dbraw/zinc/75/74/69/591757469.db2.gz QGAWFIQZLPUHPP-ZDUSSCGKSA-N 1 0 234.343 1.884 20 10 BDCDRO CCOc1ccc(C[NH2+][C@]23C[C@H]2COC3)c(O)c1 ZINC000886201929 592174563 /nfs/dbraw/zinc/17/45/63/592174563.db2.gz WTGKDGMOQCSPKS-FZMZJTMJSA-N 1 0 249.310 1.669 20 10 BDCDRO CC1(C)COC[C@@H]1[NH2+]Cc1ccccc1O ZINC000313109055 634451918 /nfs/dbraw/zinc/45/19/18/634451918.db2.gz CYHSRBWSHFTSGX-LBPRGKRZSA-N 1 0 221.300 1.907 20 10 BDCDRO Cc1ccc(C[NH+]2CCN(C)CC2)c(O)c1 ZINC000258232705 634601383 /nfs/dbraw/zinc/60/13/83/634601383.db2.gz YUPBKLBVZXHXQL-UHFFFAOYSA-N 1 0 220.316 1.448 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1CNOC1)c1ccccc1O ZINC000925869461 635579245 /nfs/dbraw/zinc/57/92/45/635579245.db2.gz LOZOWNZFEZICPJ-GXSJLCMTSA-N 1 0 222.288 1.336 20 10 BDCDRO COc1ccc(N(C)CC(C)(C)[NH3+])cc1OC ZINC000084536558 631442288 /nfs/dbraw/zinc/44/22/88/631442288.db2.gz DSPFOCDFAOZILM-UHFFFAOYSA-N 1 0 238.331 1.877 20 10 BDCDRO C[NH2+]C[C@H](C)C(=O)N(C)Cc1ccccc1O ZINC000092134793 632962878 /nfs/dbraw/zinc/96/28/78/632962878.db2.gz CFIJWDGWPCHNNF-JTQLQIEISA-N 1 0 236.315 1.206 20 10 BDCDRO CC[C@@H]([NH2+][C@H](C)c1ccccc1O)C(N)=O ZINC000310005225 634066667 /nfs/dbraw/zinc/06/66/67/634066667.db2.gz GIZSQSNYJJPFJH-PSASIEDQSA-N 1 0 222.288 1.307 20 10 BDCDRO Oc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000162938197 635203349 /nfs/dbraw/zinc/20/33/49/635203349.db2.gz BEESRBDQLYDCGZ-NSHDSACASA-N 1 0 206.289 1.234 20 10 BDCDRO Cc1ccc([C@H](C)[NH2+][C@@H]2CNOC2)c(O)c1 ZINC000925862610 635560849 /nfs/dbraw/zinc/56/08/49/635560849.db2.gz VXHUSCCRAOVAFK-VHSXEESVSA-N 1 0 222.288 1.255 20 10 BDCDRO CC[C@@H]([NH2+][C@@H]1CNOC1)c1ccccc1O ZINC000925862137 635561027 /nfs/dbraw/zinc/56/10/27/635561027.db2.gz LOZOWNZFEZICPJ-MWLCHTKSSA-N 1 0 222.288 1.336 20 10 BDCDRO C[C@H]([NH2+][C@H]1CNOC1)c1cc(F)ccc1O ZINC000925870456 635582506 /nfs/dbraw/zinc/58/25/06/635582506.db2.gz WTEYOXGPHMYZLW-CBAPKCEASA-N 1 0 226.251 1.085 20 10 BDCDRO Cc1ccc(O)c(C[NH2+][C@@]2(C)CCNC2=O)c1 ZINC000897873200 636841473 /nfs/dbraw/zinc/84/14/73/636841473.db2.gz YDTWFUMVSXJOFX-ZDUSSCGKSA-N 1 0 234.299 1.069 20 10 BDCDRO CNC(=O)C[C@H](C)[NH2+]Cc1cc(C)ccc1O ZINC000322748325 636878471 /nfs/dbraw/zinc/87/84/71/636878471.db2.gz CZMXZMNLGZEVOO-JTQLQIEISA-N 1 0 236.315 1.315 20 10 BDCDRO O[C@@H]1CCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000323277181 636912517 /nfs/dbraw/zinc/91/25/17/636912517.db2.gz KLIUJYPIDSNRAX-CHWSQXEVSA-N 1 0 233.311 1.625 20 10 BDCDRO COc1ccc(O)c(CN2CCC[C@@H]([NH3+])C2)c1 ZINC000041027945 636951366 /nfs/dbraw/zinc/95/13/66/636951366.db2.gz DFFHIAXTDUIVOQ-LLVKDONJSA-N 1 0 236.315 1.324 20 10 BDCDRO Oc1cc2c(cc1C[NH2+]C/C=C\Cl)OCO2 ZINC000898436967 637042044 /nfs/dbraw/zinc/04/20/44/637042044.db2.gz XFJSEQWRPYJBHL-UPHRSURJSA-N 1 0 241.674 1.963 20 10 BDCDRO C[C@@H]([NH2+][C@H]1C[C@H](CO)C1)c1ccccc1O ZINC000927151665 637061065 /nfs/dbraw/zinc/06/10/65/637061065.db2.gz YMLXWCVQSWSBQC-GMTAPVOTSA-N 1 0 221.300 1.814 20 10 BDCDRO Cc1cccc(C[NH2+]CC[C@@H](C)O)c1O ZINC000162864788 637339953 /nfs/dbraw/zinc/33/99/53/637339953.db2.gz TZPPMRGDNYVTQU-SNVBAGLBSA-N 1 0 209.289 1.561 20 10 BDCDRO [NH3+]C1CC([NH2+]Cc2cccc(Cl)c2[O-])C1 ZINC000906510107 638183357 /nfs/dbraw/zinc/18/33/57/638183357.db2.gz MSVSEAHMEDXRNJ-UHFFFAOYSA-N 1 0 226.707 1.625 20 10 BDCDRO C[C@@H]([NH2+]CC[N+](=O)[O-])c1ccccc1O ZINC000931554441 640273275 /nfs/dbraw/zinc/27/32/75/640273275.db2.gz PVONLZNBGQUDHS-MRVPVSSYSA-N 1 0 210.233 1.320 20 10 BDCDRO Cc1cccc(C[NH2+]C[C@@H](O)C(F)(F)F)c1O ZINC000224553796 640625508 /nfs/dbraw/zinc/62/55/08/640625508.db2.gz FWNKIWOAEVKNJQ-SECBINFHSA-N 1 0 249.232 1.713 20 10 BDCDRO CC(C)[NH2+]CCC(=O)NCc1ccccc1O ZINC000228423194 640873844 /nfs/dbraw/zinc/87/38/44/640873844.db2.gz FZTKGPVZAZFHSU-UHFFFAOYSA-N 1 0 236.315 1.397 20 10 BDCDRO Cn1nccc1CC[NH2+]Cc1ccccc1O ZINC000231033186 641127952 /nfs/dbraw/zinc/12/79/52/641127952.db2.gz BZKHYAOJINWWSM-UHFFFAOYSA-N 1 0 231.299 1.458 20 10 BDCDRO CCNC(=O)C(C)(C)[NH2+]Cc1ccccc1O ZINC000312835332 641512955 /nfs/dbraw/zinc/51/29/55/641512955.db2.gz ZPISKDNGVSEGGW-UHFFFAOYSA-N 1 0 236.315 1.397 20 10 BDCDRO Oc1ccccc1C[NH2+][C@@H]1COC[C@H]1C1CC1 ZINC000914433011 641701222 /nfs/dbraw/zinc/70/12/22/641701222.db2.gz IZYFJCKAVVQUOW-QWHCGFSZSA-N 1 0 233.311 1.907 20 10 BDCDRO C[C@@H]1C[N@H+](Cc2ccc(N(C)C)cc2)CC[C@H]1O ZINC000253232224 642633390 /nfs/dbraw/zinc/63/33/90/642633390.db2.gz BBXURCOIUWHRRZ-IUODEOHRSA-N 1 0 248.370 1.955 20 10 BDCDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1Cc1ccccc1O ZINC000179558839 642726430 /nfs/dbraw/zinc/72/64/30/642726430.db2.gz ZVZBHXFMJJFVTC-JQWIXIFHSA-N 1 0 248.326 1.478 20 10 BDCDRO COc1cccc(C[NH2+]Cc2ccno2)c1O ZINC000231881923 643319233 /nfs/dbraw/zinc/31/92/33/643319233.db2.gz GZOHMLRMUONJCO-UHFFFAOYSA-N 1 0 234.255 1.679 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCN(C2CC2)C1 ZINC000044684079 643547493 /nfs/dbraw/zinc/54/74/93/643547493.db2.gz CIMNARQAPXWVFM-LBPRGKRZSA-N 1 0 232.327 1.719 20 10 BDCDRO c1cc2c(cc1C[NH2+]CCN1CCC1)CCCO2 ZINC000921925675 643828332 /nfs/dbraw/zinc/82/83/32/643828332.db2.gz RWSTXFANCRRIOW-UHFFFAOYSA-N 1 0 246.354 1.807 20 10 BDCDRO C[C@H](O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922130015 643867762 /nfs/dbraw/zinc/86/77/62/643867762.db2.gz WHIHQKWXLIRBRI-QWRGUYRKSA-N 1 0 235.327 1.871 20 10 BDCDRO COc1cccc(O)c1C[NH2+]C[C@@H]1CCN1C ZINC000922575768 644028857 /nfs/dbraw/zinc/02/88/57/644028857.db2.gz MZJLDRHJSBZTOK-JTQLQIEISA-N 1 0 236.315 1.195 20 10 BDCDRO CN(C)c1ccc(C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000923008614 644231680 /nfs/dbraw/zinc/23/16/80/644231680.db2.gz ROPONDRHRBJZHK-JOCQHMNTSA-N 1 0 234.343 1.613 20 10 BDCDRO COc1ccc(O)c([C@@H](C)[NH2+]CCCCO)c1 ZINC000193283069 644231873 /nfs/dbraw/zinc/23/18/73/644231873.db2.gz SZQMSUMCFHQXHY-SNVBAGLBSA-N 1 0 239.315 1.824 20 10 BDCDRO Cc1cc(CN2C[C@@H]([NH3+])C[C@@H]2C)ccc1N(C)C ZINC000923412916 644415243 /nfs/dbraw/zinc/41/52/43/644415243.db2.gz KYJIUBWCPIEFQH-JSGCOSHPSA-N 1 0 247.386 1.983 20 10 BDCDRO CN(C)c1ccc(CN2CC[NH2+]C(C)(C)C2)cc1 ZINC000084571212 644428135 /nfs/dbraw/zinc/42/81/35/644428135.db2.gz CELCXNRGHVMZSU-UHFFFAOYSA-N 1 0 247.386 1.936 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)C[C@H]1CC[NH2+]C1 ZINC000089745341 644564341 /nfs/dbraw/zinc/56/43/41/644564341.db2.gz UORUVHUZOOQPMK-LLVKDONJSA-N 1 0 248.326 1.350 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+]2CCCNC(=O)C2)c1 ZINC000769113964 644678532 /nfs/dbraw/zinc/67/85/32/644678532.db2.gz FXSCNFSVDGKKKR-UHFFFAOYSA-N 1 0 234.299 1.023 20 10 BDCDRO CC[C@@H](O)C[NH2+]CCCSc1nccs1 ZINC000819062428 645003110 /nfs/dbraw/zinc/00/31/10/645003110.db2.gz DJMBZSAUDNNXEH-SECBINFHSA-N 1 0 246.401 1.986 20 10 BDCDRO Cc1ccc(O)c(C[N@@H+](C)CC2CN(C)C2)c1 ZINC000827126213 645074469 /nfs/dbraw/zinc/07/44/69/645074469.db2.gz XTXNAPAGMDAQEJ-UHFFFAOYSA-N 1 0 234.343 1.694 20 10 BDCDRO Cc1cc(O)c(C[NH2+][C@H](CO)CCF)cc1C ZINC000846096062 645401479 /nfs/dbraw/zinc/40/14/79/645401479.db2.gz FAPVSRNBRDNVFC-LBPRGKRZSA-N 1 0 241.306 1.819 20 10 BDCDRO CCN1C[C@H](C[NH2+]Cc2ccccc2O)CC1=O ZINC000846092479 645402424 /nfs/dbraw/zinc/40/24/24/645402424.db2.gz DILHDJAIROOFML-NSHDSACASA-N 1 0 248.326 1.350 20 10 BDCDRO OC[C@H](CCF)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000846097525 645405319 /nfs/dbraw/zinc/40/53/19/645405319.db2.gz QSOVDWXRLWBXAI-LBPRGKRZSA-N 1 0 239.290 1.432 20 10 BDCDRO C[C@@H]([NH2+]CC[C@H]1CNC(=O)C1)c1ccccc1O ZINC000926984188 645507899 /nfs/dbraw/zinc/50/78/99/645507899.db2.gz DULLJUICYDUKEE-GHMZBOCLSA-N 1 0 248.326 1.569 20 10 BDCDRO Cc1cccc(O)c1C[N@@H+](C)CC1CN(C)C1 ZINC000877626955 645801920 /nfs/dbraw/zinc/80/19/20/645801920.db2.gz DJLORSCBHYSJDC-UHFFFAOYSA-N 1 0 234.343 1.694 20 10 BDCDRO CC[C@@H]([NH2+][C@H]1CNOC1)c1ccc(C)cc1O ZINC000925865684 646518265 /nfs/dbraw/zinc/51/82/65/646518265.db2.gz HYJNAVSXPMXGHQ-CMPLNLGQSA-N 1 0 236.315 1.645 20 10 BDCDRO C[C@@H]([NH2+][C@H]1CNOC1)c1ccc(N(C)C)cc1 ZINC000925870856 646522299 /nfs/dbraw/zinc/52/22/99/646522299.db2.gz XQXMNSXBMVJELC-PWSUYJOCSA-N 1 0 235.331 1.307 20 10 BDCDRO COc1ccc(O)c(C[NH2+][C@H](C)C(C)(C)O)c1 ZINC000393977318 711681288 /nfs/dbraw/zinc/68/12/88/711681288.db2.gz SPNMWBWESZYDED-SECBINFHSA-N 1 0 239.315 1.650 20 10 BDCDRO CC[C@@H]([NH2+]C)C(=O)N(C)Cc1ccccc1O ZINC000709305195 712219421 /nfs/dbraw/zinc/21/94/21/712219421.db2.gz NASPVMHXRACYAU-LLVKDONJSA-N 1 0 236.315 1.349 20 10 BDCDRO CCc1cccc(C[N@H+](CC)CC(N)=O)c1O ZINC000709322425 712219826 /nfs/dbraw/zinc/21/98/26/712219826.db2.gz YMUZBYRZOAILHZ-UHFFFAOYSA-N 1 0 236.315 1.262 20 10 BDCDRO COC[C@](C)(CO)[NH2+]Cc1cccc(C)c1O ZINC000716954475 712599537 /nfs/dbraw/zinc/59/95/37/712599537.db2.gz MCYRPQFCVGQCAA-ZDUSSCGKSA-N 1 0 239.315 1.188 20 10 BDCDRO OC/C=C/C[NH2+]Cc1c(O)cccc1Cl ZINC000717536375 712660890 /nfs/dbraw/zinc/66/08/90/712660890.db2.gz XXBKHSLRCJHQFF-OWOJBTEDSA-N 1 0 227.691 1.684 20 10 BDCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CCOC1)CC2 ZINC000381496012 710646713 /nfs/dbraw/zinc/64/67/13/710646713.db2.gz BFMOYAIFBIECIT-WDEREUQCSA-N 1 0 219.284 1.758 20 10 BDCDRO C[C@H]1C[NH2+]CCN1Cc1cc(F)ccc1O ZINC000722393973 710712835 /nfs/dbraw/zinc/71/28/35/710712835.db2.gz CNXVPUGWLJKLRA-VIFPVBQESA-N 1 0 224.279 1.325 20 10 BDCDRO C[C@@H]([NH3+])CN(C)Cc1ccc(N(C)C)cc1 ZINC000393804186 710755569 /nfs/dbraw/zinc/75/55/69/710755569.db2.gz VFYXZCDJSKRHJN-LLVKDONJSA-N 1 0 221.348 1.532 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccc2c(c1)CCO2)[C@H](C)O ZINC000386857607 711038354 /nfs/dbraw/zinc/03/83/54/711038354.db2.gz JBHXACFPALARIC-GWCFXTLKSA-N 1 0 235.327 1.871 20 10 BDCDRO Oc1ccccc1C[NH2+][C@H]1CCn2ccnc21 ZINC000393962927 711180319 /nfs/dbraw/zinc/18/03/19/711180319.db2.gz VKUCRYNSWZQDPP-NSHDSACASA-N 1 0 229.283 1.823 20 10 BDCDRO C[C@H]1CC[C@H](NCc2ccccc2O)C[NH2+]1 ZINC000398953718 711417888 /nfs/dbraw/zinc/41/78/88/711417888.db2.gz GAIJVANITSRWKI-JQWIXIFHSA-N 1 0 220.316 1.622 20 10 BDCDRO CC[C@H]([NH2+]Cc1ccccc1O)[C@@H](C)O ZINC000395372179 711208234 /nfs/dbraw/zinc/20/82/34/711208234.db2.gz VAVRPNFYCPEUKL-KOLCDFICSA-N 1 0 209.289 1.641 20 10 BDCDRO CN(Cc1ccccc1O)C[C@H]1CCC[NH2+]1 ZINC000234330839 711529948 /nfs/dbraw/zinc/52/99/48/711529948.db2.gz OSNSXQKTQIZYCO-GFCCVEGCSA-N 1 0 220.316 1.576 20 10 BDCDRO COc1ccc(CNCC(C)(C)[NH3+])cc1C ZINC000258737648 711741002 /nfs/dbraw/zinc/74/10/02/711741002.db2.gz FPFLKXCWKKJSDK-UHFFFAOYSA-N 1 0 222.332 1.831 20 10 BDCDRO CN(Cc1ccccc1O)C(=O)[C@H]([NH3+])C1CCC1 ZINC000399006212 711742903 /nfs/dbraw/zinc/74/29/03/711742903.db2.gz YLGOELQCMSIITL-CYBMUJFWSA-N 1 0 248.326 1.478 20 10 BDCDRO COC[C@H](C[NH2+]Cc1ccccc1O)OC ZINC000227706659 711832636 /nfs/dbraw/zinc/83/26/36/711832636.db2.gz OXOIFNUHIRDKTR-NSHDSACASA-N 1 0 225.288 1.143 20 10 BDCDRO C[NH2+]C[C@H](C)NCc1ccc2c(c1)CCCO2 ZINC000229101103 711837737 /nfs/dbraw/zinc/83/77/37/711837737.db2.gz UQTCECHVDJXCHH-NSHDSACASA-N 1 0 234.343 1.709 20 10 BDCDRO CO[C@H]1C[C@H]([NH2+]Cc2cc(C)ccc2O)C1 ZINC000706547458 712149503 /nfs/dbraw/zinc/14/95/03/712149503.db2.gz XPDOVUZQTIUJQW-HAQNSBGRSA-N 1 0 221.300 1.968 20 10 BDCDRO OC[C@H]1C[C@@H]([NH2+][C@@H]2CCc3cccc(O)c32)C1 ZINC000707622204 712175965 /nfs/dbraw/zinc/17/59/65/712175965.db2.gz XBPKFBOQYPTHQL-ADEWGFFLSA-N 1 0 233.311 1.740 20 10 BDCDRO CC1(C)C[NH2+][C@H]1C(=O)NCc1ccccc1O ZINC000710039299 712243170 /nfs/dbraw/zinc/24/31/70/712243170.db2.gz KJCJDIMDKYHEHQ-NSHDSACASA-N 1 0 234.299 1.006 20 10 BDCDRO COc1ccc(C[NH2+]C[C@H]2CCN2C)cc1C ZINC000712588736 712434617 /nfs/dbraw/zinc/43/46/17/712434617.db2.gz XAFAFTYYPYRIHI-CYBMUJFWSA-N 1 0 234.343 1.797 20 10 BDCDRO COc1ccc(C[NH2+]C[C@@H]2CCN2C)cc1C ZINC000712588738 712434907 /nfs/dbraw/zinc/43/49/07/712434907.db2.gz XAFAFTYYPYRIHI-ZDUSSCGKSA-N 1 0 234.343 1.797 20 10 BDCDRO C[C@H]([NH2+]C[C@@H]1CCN1C)c1cc(F)ccc1O ZINC000712596588 712436240 /nfs/dbraw/zinc/43/62/40/712436240.db2.gz VCFOZTXVDYJMFZ-ONGXEEELSA-N 1 0 238.306 1.886 20 10 BDCDRO CN1CC[C@H]1C[NH2+]Cc1cc(Cl)ccc1O ZINC000712569760 712447063 /nfs/dbraw/zinc/44/70/63/712447063.db2.gz CFEDBZDGEAIKGZ-NSHDSACASA-N 1 0 240.734 1.839 20 10 BDCDRO CO[C@H]1C[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000714654199 712495107 /nfs/dbraw/zinc/49/51/07/712495107.db2.gz GISYIOPHOBHVDG-UMSPYCQHSA-N 1 0 221.300 1.907 20 10 BDCDRO C[C@@H]([NH2+]C1COCCOC1)c1ccccc1O ZINC000379848276 712616875 /nfs/dbraw/zinc/61/68/75/712616875.db2.gz JFWMBFKQEGRLHJ-SNVBAGLBSA-N 1 0 237.299 1.458 20 10 BDCDRO COC(=O)CCC[NH2+][C@@H](C)c1ccccc1O ZINC000037417075 712628869 /nfs/dbraw/zinc/62/88/69/712628869.db2.gz TULYAOTUAKHNAS-JTQLQIEISA-N 1 0 237.299 1.996 20 10 BDCDRO OC[C@H]([NH2+]Cc1ccccc1O)C1CCC1 ZINC000717617445 712662793 /nfs/dbraw/zinc/66/27/93/712662793.db2.gz WATBBQATYRCWHG-LBPRGKRZSA-N 1 0 221.300 1.643 20 10 BDCDRO Cc1cccc(C[NH2+]C2COCCOC2)c1O ZINC000380009060 712669647 /nfs/dbraw/zinc/66/96/47/712669647.db2.gz KMRWSEIHBVGCGW-UHFFFAOYSA-N 1 0 237.299 1.206 20 10 BDCDRO C[C@H]1[C@H]([NH2+]Cc2ccccc2O)CCN1C ZINC000719579655 712812426 /nfs/dbraw/zinc/81/24/26/712812426.db2.gz IRSGNGYTYCIVTL-CMPLNLGQSA-N 1 0 220.316 1.574 20 10 BDCDRO C[C@@H]1[C@H]([NH2+]Cc2ccccc2O)CCN1C ZINC000719579662 712812601 /nfs/dbraw/zinc/81/26/01/712812601.db2.gz IRSGNGYTYCIVTL-ZYHUDNBSSA-N 1 0 220.316 1.574 20 10 BDCDRO