smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879661 187292497 /nfs/dbraw/zinc/29/24/97/187292497.db2.gz QMRLURLTVUWVJL-UHFFFAOYSA-N 1 0 211.217 0.203 20 10 BCCDRO Cc1ccc(O)c(C[N@H+](C)CC(N)=O)c1 ZINC000132596138 538016064 /nfs/dbraw/zinc/01/60/64/538016064.db2.gz XPFHERMVLUDAST-UHFFFAOYSA-N 1 0 208.261 0.618 20 10 BCCDRO NC(=O)[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179566474 181283219 /nfs/dbraw/zinc/28/32/19/181283219.db2.gz WWTRFKQTVIVXKR-LLVKDONJSA-N 1 0 236.271 0.078 20 10 BCCDRO OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000083352571 183142945 /nfs/dbraw/zinc/14/29/45/183142945.db2.gz DPEINCFAHKRJNE-LLVKDONJSA-N 1 0 223.272 0.064 20 10 BCCDRO COC[C@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296568732 384190863 /nfs/dbraw/zinc/19/08/63/384190863.db2.gz UXMNTZRHXUBYLI-WDEREUQCSA-N 1 0 237.299 0.976 20 10 BCCDRO CC[N@H+](C)CCNC(=O)c1cccc(O)c1O ZINC000126386399 384795607 /nfs/dbraw/zinc/79/56/07/384795607.db2.gz IEZUIPKFXPMSOT-UHFFFAOYSA-N 1 0 238.287 0.779 20 10 BCCDRO COC[C@@H](CCO)[NH2+]Cc1ccccc1O ZINC000164301652 384958451 /nfs/dbraw/zinc/95/84/51/384958451.db2.gz ILQIGZTXMWVUDA-LLVKDONJSA-N 1 0 225.288 0.879 20 10 BCCDRO COC[C@@H](O)CC[NH2+]Cc1ccccc1O ZINC000127497275 384905659 /nfs/dbraw/zinc/90/56/59/384905659.db2.gz IMFPKADOCKJSKC-NSHDSACASA-N 1 0 225.288 0.879 20 10 BCCDRO CC[N@H+](CC(N)=O)Cc1cccc(OC)c1O ZINC000188466130 385055387 /nfs/dbraw/zinc/05/53/87/385055387.db2.gz NHCDCJHRRUVDSP-UHFFFAOYSA-N 1 0 238.287 0.708 20 10 BCCDRO COC[C@@H](CO)[NH2+]Cc1cc(C)ccc1O ZINC000234866934 386111798 /nfs/dbraw/zinc/11/17/98/386111798.db2.gz UYYUHGDQUNJIAH-LLVKDONJSA-N 1 0 225.288 0.798 20 10 BCCDRO C[C@@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000237446751 386378119 /nfs/dbraw/zinc/37/81/19/386378119.db2.gz XYXIFQPPCFBFEZ-SECBINFHSA-N 1 0 249.314 0.825 20 10 BCCDRO Nc1ccc(CC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000366538170 386775251 /nfs/dbraw/zinc/77/52/51/386775251.db2.gz XYRZYWCLIJQCKB-PJXYFTJBSA-N 1 0 231.299 0.145 20 10 BCCDRO Oc1cc2c(cc1C[NH2+]CC1COC1)OCO2 ZINC000527817124 387737619 /nfs/dbraw/zinc/73/76/19/387737619.db2.gz KYINRRZLFVBGOE-UHFFFAOYSA-N 1 0 237.255 0.857 20 10 BCCDRO C[NH+](C)CC(=O)NCc1ccccc1O ZINC000169810727 410465229 /nfs/dbraw/zinc/46/52/29/410465229.db2.gz ULYJKHIYURFFLW-UHFFFAOYSA-N 1 0 208.261 0.570 20 10 BCCDRO C[N@@H+]1CCCN(C(=O)Cc2ccc(N)cc2)CC1 ZINC000020217551 173012411 /nfs/dbraw/zinc/01/24/11/173012411.db2.gz ZERHVMZWAMLBBO-UHFFFAOYSA-N 1 0 247.342 0.975 20 10 BCCDRO CNC(=O)C[NH2+]Cc1c(O)cccc1Cl ZINC000083551444 173277129 /nfs/dbraw/zinc/27/71/29/173277129.db2.gz IPMAXANPMCXKQQ-UHFFFAOYSA-N 1 0 228.679 0.881 20 10 BCCDRO C[NH2+]CCC(=O)NCc1ccc(N(C)C)cc1 ZINC000043605887 173340528 /nfs/dbraw/zinc/34/05/28/173340528.db2.gz XGYGUHHRBKKNPO-UHFFFAOYSA-N 1 0 235.331 0.978 20 10 BCCDRO COc1ccc(O)c([C@H](C)[NH2+]CC(N)=O)c1 ZINC000021962326 175159839 /nfs/dbraw/zinc/15/98/39/175159839.db2.gz BBVKDYHQOBILBH-ZETCQYMHSA-N 1 0 224.260 0.537 20 10 BCCDRO C[C@H](CO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112017432 176693422 /nfs/dbraw/zinc/69/34/22/176693422.db2.gz AGZJLLIXIPLHSG-QMMMGPOBSA-N 1 0 239.271 0.839 20 10 BCCDRO C[C@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823751 176745731 /nfs/dbraw/zinc/74/57/31/176745731.db2.gz DGOUOBRFQQJMSF-QMMMGPOBSA-N 1 0 208.261 0.698 20 10 BCCDRO COCC[C@H](CO)[NH2+]Cc1ccccc1O ZINC000282350389 491111563 /nfs/dbraw/zinc/11/15/63/491111563.db2.gz VOOHVUMBOJPAGP-LLVKDONJSA-N 1 0 225.288 0.879 20 10 BCCDRO COc1ccc(C[NH2+][C@H](C)CO)c(O)c1OC ZINC000892669711 582946491 /nfs/dbraw/zinc/94/64/91/582946491.db2.gz VMVKCXVAQASGGQ-MRVPVSSYSA-N 1 0 241.287 0.880 20 10 BCCDRO C[C@]1([NH2+]Cc2ccccc2O)CCNC1=O ZINC000897871035 584055952 /nfs/dbraw/zinc/05/59/52/584055952.db2.gz FKWQYZYTLMSZRO-LBPRGKRZSA-N 1 0 220.272 0.760 20 10 BCCDRO CN(C)c1ccc([C@H](CNC(N)=[NH2+])N(C)C)cc1 ZINC000899264110 584188934 /nfs/dbraw/zinc/18/89/34/584188934.db2.gz ZUNSLFOEYKJLKA-LBPRGKRZSA-N 1 0 249.362 0.838 20 10 BCCDRO Cc1ccc(C[NH2+]CCS(C)(=O)=O)c(O)c1 ZINC000876977499 584888399 /nfs/dbraw/zinc/88/83/99/584888399.db2.gz ZGJOVUKFEZGTHJ-UHFFFAOYSA-N 1 0 243.328 0.835 20 10 BCCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCC(=O)NC1=O ZINC000771309783 585592615 /nfs/dbraw/zinc/59/26/15/585592615.db2.gz VEBUNOYFBCCYSI-SNVBAGLBSA-N 1 0 248.282 0.629 20 10 BCCDRO COc1cccc(O)c1C[NH2+][C@@H](C)CC(N)=O ZINC000776250803 585694066 /nfs/dbraw/zinc/69/40/66/585694066.db2.gz MHORENMPWBVXTN-QMMMGPOBSA-N 1 0 238.287 0.754 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1c(O)cccc1OC ZINC000801732992 586270122 /nfs/dbraw/zinc/27/01/22/586270122.db2.gz IIAQDFXNYVGACL-SECBINFHSA-N 1 0 241.287 0.498 20 10 BCCDRO [NH3+][C@@H]1C[C@@H]1C(=O)NCc1ccccc1O ZINC000818212845 586880019 /nfs/dbraw/zinc/88/00/19/586880019.db2.gz CVLFKVHNVRGUCK-DTWKUNHWSA-N 1 0 206.245 0.356 20 10 BCCDRO COc1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c(O)c1 ZINC000818229106 586880719 /nfs/dbraw/zinc/88/07/19/586880719.db2.gz MNRUUIDKSDVEAC-ZJUUUORDSA-N 1 0 236.271 0.364 20 10 BCCDRO C[C@@H]([NH3+])[C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000818545338 586899526 /nfs/dbraw/zinc/89/95/26/586899526.db2.gz YXTPQTHHTNKEOH-NXEZZACHSA-N 1 0 235.331 0.911 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@H]2C[C@H]2[NH3+])cc1 ZINC000818545324 586899584 /nfs/dbraw/zinc/89/95/84/586899584.db2.gz YASOVEIMKAVMIJ-WDEREUQCSA-N 1 0 219.288 0.275 20 10 BCCDRO CO[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H]1O ZINC000825017897 587299106 /nfs/dbraw/zinc/29/91/06/587299106.db2.gz ZPOCZAXKYAUBDG-VXGBXAGGSA-N 1 0 223.272 0.584 20 10 BCCDRO Nc1ccc(NC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000832244368 587652074 /nfs/dbraw/zinc/65/20/74/587652074.db2.gz NUAMEECNCPVXFR-JTQLQIEISA-N 1 0 221.260 0.196 20 10 BCCDRO Nc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000832243995 587652210 /nfs/dbraw/zinc/65/22/10/587652210.db2.gz CYMYHMSIZZMPPZ-LLVKDONJSA-N 1 0 235.287 0.586 20 10 BCCDRO C[C@@H]([NH3+])CC(=O)NCCc1ccc(N)cc1 ZINC000832659275 587675110 /nfs/dbraw/zinc/67/51/10/587675110.db2.gz XKRIXFAKRDBOJL-SECBINFHSA-N 1 0 221.304 0.665 20 10 BCCDRO CC(C)[C@@H]([NH3+])CNC(=O)Cc1ccc(N)cc1 ZINC000832770393 587687731 /nfs/dbraw/zinc/68/77/31/587687731.db2.gz RYSWCPCHXRUMEZ-LBPRGKRZSA-N 1 0 235.331 0.911 20 10 BCCDRO Nc1ccc(CC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000832786582 587689947 /nfs/dbraw/zinc/68/99/47/587689947.db2.gz ZDNVWWPRAPZQQI-LBPRGKRZSA-N 1 0 233.315 0.665 20 10 BCCDRO Oc1c(F)cccc1CN[C@H]1CC[NH2+]C1 ZINC000841044395 587939293 /nfs/dbraw/zinc/93/92/93/587939293.db2.gz DWESFNBNFSDAMP-VIFPVBQESA-N 1 0 210.252 0.983 20 10 BCCDRO Cc1ccc(O)c(CN(CC[NH3+])CCO)c1 ZINC000841059978 587941222 /nfs/dbraw/zinc/94/12/22/587941222.db2.gz ZFOAQEFJOWUWCR-UHFFFAOYSA-N 1 0 224.304 0.454 20 10 BCCDRO C[C@H](C[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000841060149 587941876 /nfs/dbraw/zinc/94/18/76/587941876.db2.gz QSKGTBXYHMLOKW-GFCCVEGCSA-N 1 0 249.358 0.960 20 10 BCCDRO [NH3+]C[C@H](NC(=O)NCc1ccccc1O)C1CC1 ZINC000841945656 587986159 /nfs/dbraw/zinc/98/61/59/587986159.db2.gz BHCQVQCQRPOHQZ-NSHDSACASA-N 1 0 249.314 0.929 20 10 BCCDRO COC1(C(=O)Nc2ccc(N)cc2)CC[NH2+]CC1 ZINC000843292134 588097733 /nfs/dbraw/zinc/09/77/33/588097733.db2.gz DBCYADQJALZMNO-UHFFFAOYSA-N 1 0 249.314 0.976 20 10 BCCDRO COc1ccc(CNC2=[NH+]C[C@H](C)N2)c(O)c1 ZINC000849024890 588440150 /nfs/dbraw/zinc/44/01/50/588440150.db2.gz DQOGYNPGVDVATL-QMMMGPOBSA-N 1 0 235.287 0.838 20 10 BCCDRO COc1ccc(CNC2=[NH+]C[C@@H](C)N2)c(O)c1 ZINC000849024889 588440172 /nfs/dbraw/zinc/44/01/72/588440172.db2.gz DQOGYNPGVDVATL-MRVPVSSYSA-N 1 0 235.287 0.838 20 10 BCCDRO Oc1cc2c(cc1C[NH2+][C@H]1C[C@H](O)C1)OCO2 ZINC000850417796 588544781 /nfs/dbraw/zinc/54/47/81/588544781.db2.gz LXNVIUIITSYPEJ-KYZUINATSA-N 1 0 237.255 0.734 20 10 BCCDRO [NH3+]C[C@@H]1CC(C(=O)NCc2ccccc2O)=NO1 ZINC000852883809 588711386 /nfs/dbraw/zinc/71/13/86/588711386.db2.gz OFXUIHYXVJTENX-VIFPVBQESA-N 1 0 249.270 0.112 20 10 BCCDRO COc1ccc(N2CC[C@@H](NC(=O)C[NH3+])C2)cc1 ZINC000852900703 588712332 /nfs/dbraw/zinc/71/23/32/588712332.db2.gz QAEDOUVOHSTURN-SNVBAGLBSA-N 1 0 249.314 0.349 20 10 BCCDRO C[N@H+](Cc1ccccc1O)[C@]1(CO)CCOC1 ZINC000862426278 589212241 /nfs/dbraw/zinc/21/22/41/589212241.db2.gz CMLMANSWYIRPKE-ZDUSSCGKSA-N 1 0 237.299 0.975 20 10 BCCDRO CN(CCOCC[NH3+])c1ccc(N)cc1 ZINC000863558566 589299146 /nfs/dbraw/zinc/29/91/46/589299146.db2.gz NKZUQFGQBRXHLD-UHFFFAOYSA-N 1 0 209.293 0.680 20 10 BCCDRO Cc1cccc(O)c1C[N@H+](CCO)CCCO ZINC000876723776 590233596 /nfs/dbraw/zinc/23/35/96/590233596.db2.gz HDSLGFJJFHHFNY-UHFFFAOYSA-N 1 0 239.315 0.877 20 10 BCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000876816346 590246049 /nfs/dbraw/zinc/24/60/49/590246049.db2.gz KIJTUJCSOISXSD-JTQLQIEISA-N 1 0 249.314 0.943 20 10 BCCDRO Cc1ccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c(O)c1 ZINC000876817064 590246105 /nfs/dbraw/zinc/24/61/05/590246105.db2.gz WUEXLUSPLCVTRR-LLVKDONJSA-N 1 0 249.314 0.943 20 10 BCCDRO Nc1ccc(CC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000126253814 590261161 /nfs/dbraw/zinc/26/11/61/590261161.db2.gz LLYHJYQDASGPTA-NSHDSACASA-N 1 0 219.288 0.289 20 10 BCCDRO CNC(=O)CC[NH2+]Cc1c(C)cccc1O ZINC000876987495 590265059 /nfs/dbraw/zinc/26/50/59/590265059.db2.gz YECUQCLUXJRZBO-UHFFFAOYSA-N 1 0 222.288 0.926 20 10 BCCDRO C[NH2+][C@@H](C)C(=O)N(C)c1ccc(N)cc1 ZINC000877074338 590278133 /nfs/dbraw/zinc/27/81/33/590278133.db2.gz HJJRVNRZOZVNNK-QMMMGPOBSA-N 1 0 207.277 0.840 20 10 BCCDRO CN(C(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccc(N)cc1 ZINC000877074535 590278439 /nfs/dbraw/zinc/27/84/39/590278439.db2.gz NSILUUPPTUCMMC-WDEREUQCSA-N 1 0 235.287 0.348 20 10 BCCDRO CC[C@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877079306 590279510 /nfs/dbraw/zinc/27/95/10/590279510.db2.gz WXZYGKBIICZLRR-JTQLQIEISA-N 1 0 207.277 0.969 20 10 BCCDRO C[C@@H](CNC(=O)c1cccc(O)c1O)[NH+](C)C ZINC000126363848 590293447 /nfs/dbraw/zinc/29/34/47/590293447.db2.gz MAYQVGNHEVOEFY-QMMMGPOBSA-N 1 0 238.287 0.778 20 10 BCCDRO CNC(=O)C1C[NH+](Cc2c(C)cccc2O)C1 ZINC000877581448 590365329 /nfs/dbraw/zinc/36/53/29/590365329.db2.gz DXONEEIWJOPNMX-UHFFFAOYSA-N 1 0 234.299 0.878 20 10 BCCDRO Cc1ccc(C[NH+](CCO)CCO)c(O)c1 ZINC000877649133 590383777 /nfs/dbraw/zinc/38/37/77/590383777.db2.gz ODPUQXMJFXZVMC-UHFFFAOYSA-N 1 0 225.288 0.487 20 10 BCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877748710 590413553 /nfs/dbraw/zinc/41/35/53/590413553.db2.gz KIHBSBMELFBGNV-OLZOCXBDSA-N 1 0 237.299 0.628 20 10 BCCDRO C[NH+]1CCN(c2ccc(CNC(N)=O)cc2)CC1 ZINC000887337129 592482367 /nfs/dbraw/zinc/48/23/67/592482367.db2.gz UAYPMPNYNHSYCC-UHFFFAOYSA-N 1 0 248.330 0.607 20 10 BCCDRO COc1ccc(C[NH2+]C[C@](C)(O)CO)cc1C ZINC000090286983 631525066 /nfs/dbraw/zinc/52/50/66/631525066.db2.gz YXBJKPOPETYSDV-ZDUSSCGKSA-N 1 0 239.315 0.837 20 10 BCCDRO COc1cccc(O)c1CN1CC[NH2+]CC1 ZINC000258617646 631555060 /nfs/dbraw/zinc/55/50/60/631555060.db2.gz ZKTFMBRHPXWDLS-UHFFFAOYSA-N 1 0 222.288 0.806 20 10 BCCDRO COc1cccc(C[NH2+][C@@H](C)CC(N)=O)c1O ZINC000161578950 632090704 /nfs/dbraw/zinc/09/07/04/632090704.db2.gz YRLBVHKDQMWCNR-QMMMGPOBSA-N 1 0 238.287 0.754 20 10 BCCDRO [NH3+][C@@H](CC(F)F)C(=O)NCc1ccccc1O ZINC000310067448 634147689 /nfs/dbraw/zinc/14/76/89/634147689.db2.gz CCBVHYHQVZSYHN-QMMMGPOBSA-N 1 0 244.241 0.991 20 10 BCCDRO CC[NH2+]CC(=O)N(C)Cc1ccccc1O ZINC000044650606 640447364 /nfs/dbraw/zinc/44/73/64/640447364.db2.gz QTUMGQYAUUXJCL-UHFFFAOYSA-N 1 0 222.288 0.960 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000226618998 640779834 /nfs/dbraw/zinc/77/98/34/640779834.db2.gz NVGBXSFJZYPTMO-UHFFFAOYSA-N 1 0 226.251 0.757 20 10 BCCDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(F)ccc1O ZINC000226615819 640779856 /nfs/dbraw/zinc/77/98/56/640779856.db2.gz PUWHTUGVNGOLGA-ZETCQYMHSA-N 1 0 226.251 0.885 20 10 BCCDRO O=C1NCCN1CC[NH2+]Cc1ccccc1O ZINC000228415728 640873431 /nfs/dbraw/zinc/87/34/31/640873431.db2.gz MYTONAYYFIQPAV-UHFFFAOYSA-N 1 0 235.287 0.507 20 10 BCCDRO C[C@@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccccc1O ZINC000089751454 642131568 /nfs/dbraw/zinc/13/15/68/642131568.db2.gz KVPDFJJVBRJDKX-SCZZXKLOSA-N 1 0 248.282 0.848 20 10 BCCDRO CC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000083345385 643529977 /nfs/dbraw/zinc/52/99/77/643529977.db2.gz YLPCMXIGELJYRO-VIFPVBQESA-N 1 0 208.261 0.746 20 10 BCCDRO CN(C)c1ccc(CNC(N)=[NH2+])cc1F ZINC000303257604 644813157 /nfs/dbraw/zinc/81/31/57/644813157.db2.gz JRDXKOSOUBKTDB-UHFFFAOYSA-N 1 0 210.256 0.875 20 10 BCCDRO CCC[N@@H+](Cc1ccccc1O)C[C@@H](O)CO ZINC000929752705 646283082 /nfs/dbraw/zinc/28/30/82/646283082.db2.gz DZWFQNZJQIQSOX-GFCCVEGCSA-N 1 0 239.315 0.957 20 10 BCCDRO C[C@@H](O)[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000929969926 646382419 /nfs/dbraw/zinc/38/24/19/646382419.db2.gz GEXUPUKDCOKKIJ-BXKDBHETSA-N 1 0 225.288 0.566 20 10 BCCDRO C[C@H](NC(=O)NCC[NH3+])c1ccccc1O ZINC000891976468 711567557 /nfs/dbraw/zinc/56/75/57/711567557.db2.gz MERWNNMSIBZHOM-QMMMGPOBSA-N 1 0 223.276 0.711 20 10 BCCDRO C[C@@H](NC(=O)[C@H](C)[NH3+])c1ccccc1O ZINC000381355146 710627265 /nfs/dbraw/zinc/62/72/65/710627265.db2.gz COWNRBXXMJMOES-JGVFFNPUSA-N 1 0 208.261 0.917 20 10 BCCDRO Nc1ccc(CCNC(=O)CC[NH3+])cc1 ZINC000038853488 710723280 /nfs/dbraw/zinc/72/32/80/710723280.db2.gz BJGPHIONGYJPAN-UHFFFAOYSA-N 1 0 207.277 0.276 20 10 BCCDRO COc1cccc(C[NH2+]Cc2cnn[nH]2)c1O ZINC000398291533 711407166 /nfs/dbraw/zinc/40/71/66/711407166.db2.gz LPQNIUBGMPXTNJ-UHFFFAOYSA-N 1 0 234.259 0.809 20 10 BCCDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000398531145 711411942 /nfs/dbraw/zinc/41/19/42/711411942.db2.gz XOONWQQAGBVGPA-LLVKDONJSA-N 1 0 234.299 0.960 20 10 BCCDRO Oc1ccccc1C[NH2+]C1COCCOC1 ZINC000380837706 710591923 /nfs/dbraw/zinc/59/19/23/710591923.db2.gz SEWWTABRDGPGFG-UHFFFAOYSA-N 1 0 223.272 0.897 20 10 BCCDRO COc1ccc(O)c(C[NH2+]C[C@@H]2COCO2)c1 ZINC000894876003 711774120 /nfs/dbraw/zinc/77/41/20/711774120.db2.gz LOECNTQISVMRON-LLVKDONJSA-N 1 0 239.271 0.863 20 10 BCCDRO C[C@]1(C(=O)Nc2ccc(N)cc2)C[C@H](O)C[NH2+]1 ZINC000911659513 711819231 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384965812 /nfs/dbraw/zinc/96/58/12/384965812.db2.gz BIYGSUGMJMJKDB-VXGBXAGGSA-N 1 0 246.310 0.960 20 10 BCCDRO C[C@H](O)C[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000130729000 385278660 /nfs/dbraw/zinc/27/86/60/385278660.db2.gz JPSLZMVTTQAKJF-QMMMGPOBSA-N 1 0 239.271 0.934 20 10 BCCDRO C[N@H+](CCCO)Cc1cc2c(cc1O)OCO2 ZINC000281641877 385689727 /nfs/dbraw/zinc/68/97/27/385689727.db2.gz ARFHABOULRMNFP-UHFFFAOYSA-N 1 0 239.271 0.935 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1cc(F)ccc1O ZINC000226610454 386343437 /nfs/dbraw/zinc/34/34/37/386343437.db2.gz MAYWZSBDTLVMME-JTQLQIEISA-N 1 0 229.251 0.628 20 10 BCCDRO [O-]c1c(F)cccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294841854 386689602 /nfs/dbraw/zinc/68/96/02/386689602.db2.gz RHBQBXHDFPXOTM-SNVBAGLBSA-N 1 0 241.262 0.724 20 10 BCCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000187665725 387213261 /nfs/dbraw/zinc/21/32/61/387213261.db2.gz CKTSXLKYPCJSMF-QWRGUYRKSA-N 1 0 241.262 0.459 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000237859505 388399458 /nfs/dbraw/zinc/39/94/58/388399458.db2.gz PHDWAKYUJXGTFN-QMMMGPOBSA-N 1 0 205.261 0.817 20 10 BCCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1COCCN1)CC2 ZINC000530227814 388635664 /nfs/dbraw/zinc/63/56/64/388635664.db2.gz VXOFUAVIZXWMOU-VXGBXAGGSA-N 1 0 248.326 0.958 20 10 BCCDRO CNC(=O)C[NH2+]Cc1cccc(C)c1O ZINC000162821635 173277773 /nfs/dbraw/zinc/27/77/73/173277773.db2.gz FMAHLSMPFNAOOT-UHFFFAOYSA-N 1 0 208.261 0.536 20 10 BCCDRO C[NH2+]CC(=O)N(C)Cc1ccccc1O ZINC000037823767 173325353 /nfs/dbraw/zinc/32/53/53/173325353.db2.gz FUPKPBMEGSJYBW-UHFFFAOYSA-N 1 0 208.261 0.570 20 10 BCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H](C)C(N)=O)c1 ZINC000035793370 175160575 /nfs/dbraw/zinc/16/05/75/175160575.db2.gz FTODPOQUKQHEHP-JGVFFNPUSA-N 1 0 238.287 0.925 20 10 BCCDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000186661730 177174841 /nfs/dbraw/zinc/17/48/41/177174841.db2.gz QLYGVDYNASTBDT-GWCFXTLKSA-N 1 0 247.342 0.926 20 10 BCCDRO C[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000126372933 177282662 /nfs/dbraw/zinc/28/26/62/177282662.db2.gz VBCQZOSAHSICAK-JTQLQIEISA-N 1 0 233.315 0.632 20 10 BCCDRO COc1cccc(C[NH2+]C[C@H]2COCO2)c1O ZINC000894872357 583540020 /nfs/dbraw/zinc/54/00/20/583540020.db2.gz IJKSZXZGFBXZDL-JTQLQIEISA-N 1 0 239.271 0.863 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1COCO1 ZINC000894876718 583541632 /nfs/dbraw/zinc/54/16/32/583541632.db2.gz USKVMOXBSJNWDY-JTQLQIEISA-N 1 0 227.235 0.994 20 10 BCCDRO C[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCNC1=O ZINC000897871023 584056198 /nfs/dbraw/zinc/05/61/98/584056198.db2.gz FAYDSBRWEPWANJ-CQSZACIVSA-N 1 0 246.310 0.990 20 10 BCCDRO c1cc(C[NH2+][C@H]2CNOC2)cc2c1OCC2 ZINC000904427217 584881320 /nfs/dbraw/zinc/88/13/20/584881320.db2.gz RVZGBYNYNUIKEY-NSHDSACASA-N 1 0 220.272 0.615 20 10 BCCDRO C[C@@H](C(=O)NCc1ccc(O)c(O)c1)[NH+](C)C ZINC000778917993 585742327 /nfs/dbraw/zinc/74/23/27/585742327.db2.gz BUCBOYIKQAIJGU-QMMMGPOBSA-N 1 0 238.287 0.664 20 10 BCCDRO Cc1cc(C[N@H+](C)CC(N)=O)ccc1N(C)C ZINC000815017616 586664287 /nfs/dbraw/zinc/66/42/87/586664287.db2.gz QNGFDHWANGOEJQ-UHFFFAOYSA-N 1 0 235.331 0.978 20 10 BCCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000818545339 586899832 /nfs/dbraw/zinc/89/98/32/586899832.db2.gz YXTPQTHHTNKEOH-UWVGGRQHSA-N 1 0 235.331 0.911 20 10 BCCDRO Nc1ccc(NC(=O)COC2CC[NH2+]CC2)cc1 ZINC000832250575 587651993 /nfs/dbraw/zinc/65/19/93/587651993.db2.gz UHHSULDAUORLTN-UHFFFAOYSA-N 1 0 249.314 0.976 20 10 BCCDRO Nc1ccc(CC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000832786580 587689981 /nfs/dbraw/zinc/68/99/81/587689981.db2.gz ZDNVWWPRAPZQQI-GFCCVEGCSA-N 1 0 233.315 0.665 20 10 BCCDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834642830 587762656 /nfs/dbraw/zinc/76/26/56/587762656.db2.gz SXWYQLYSAFKVTQ-GWCFXTLKSA-N 1 0 247.342 0.926 20 10 BCCDRO Cc1cccc(C[NH2+]C[C@@H]2CNCCO2)c1O ZINC000841098877 587946381 /nfs/dbraw/zinc/94/63/81/587946381.db2.gz JOIADKAINMFTSD-LBPRGKRZSA-N 1 0 236.315 0.779 20 10 BCCDRO CN(C)c1ccc(CNC(=O)NCC[NH3+])cc1 ZINC000841652733 587967432 /nfs/dbraw/zinc/96/74/32/587967432.db2.gz FVPZJEBHTZOUMM-UHFFFAOYSA-N 1 0 236.319 0.511 20 10 BCCDRO COc1cccc(O)c1CN1CC[C@@H]([NH3+])C1 ZINC000843045521 588076055 /nfs/dbraw/zinc/07/60/55/588076055.db2.gz UGTOLOMTJZGVFT-SECBINFHSA-N 1 0 222.288 0.934 20 10 BCCDRO [NH3+][C@@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843045138 588076231 /nfs/dbraw/zinc/07/62/31/588076231.db2.gz MHPIYLMAOFEXBQ-SECBINFHSA-N 1 0 236.271 0.654 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000843342192 588101187 /nfs/dbraw/zinc/10/11/87/588101187.db2.gz KPWGGFKNWFPWPJ-KLPPZKSPSA-N 1 0 233.315 0.665 20 10 BCCDRO O=C(NCc1ccccc1O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843488567 588114960 /nfs/dbraw/zinc/11/49/60/588114960.db2.gz FXDJDQJTWKPKKY-IAZYJMLFSA-N 1 0 232.283 0.474 20 10 BCCDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000846046578 588254573 /nfs/dbraw/zinc/25/45/73/588254573.db2.gz JFYPSFOAOKZIKA-AOOOYVTPSA-N 1 0 220.272 0.746 20 10 BCCDRO CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(N)cc1 ZINC000851633502 588612309 /nfs/dbraw/zinc/61/23/09/588612309.db2.gz LSIIKJXUFDQLMM-NSHDSACASA-N 1 0 237.303 0.960 20 10 BCCDRO CN(C(=O)C=C1CC[NH2+]CC1)c1cnn(C)c1 ZINC000852869949 588709459 /nfs/dbraw/zinc/70/94/59/588709459.db2.gz HWZMLLGXYAKIEY-UHFFFAOYSA-N 1 0 234.303 0.693 20 10 BCCDRO C[N@H+](CCOCC[NH3+])Cc1cccc(F)c1[O-] ZINC000863651515 589307501 /nfs/dbraw/zinc/30/75/01/589307501.db2.gz KIBKFKTTWKTAGE-UHFFFAOYSA-N 1 0 242.294 0.938 20 10 BCCDRO C[C@H]([NH3+])CN(C)Cc1cc2c(cc1O)OCO2 ZINC000863653616 589307940 /nfs/dbraw/zinc/30/79/40/589307940.db2.gz OESIFIRSYUQWEE-QMMMGPOBSA-N 1 0 238.287 0.900 20 10 BCCDRO CN1CCN(Cc2ccccc2O)[C@H](C[NH3+])C1 ZINC000122445641 589591409 /nfs/dbraw/zinc/59/14/09/589591409.db2.gz KFANVXUSTAIXQL-GFCCVEGCSA-N 1 0 235.331 0.467 20 10 BCCDRO COC[C@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000870988365 589706991 /nfs/dbraw/zinc/70/69/91/589706991.db2.gz NTBFLNSMAUCGSL-SCZZXKLOSA-N 1 0 238.287 0.543 20 10 BCCDRO COCCN(C)C(=[NH2+])NCc1ccccc1O ZINC000871603108 589773639 /nfs/dbraw/zinc/77/36/39/589773639.db2.gz FSASGPGZFREVHG-UHFFFAOYSA-N 1 0 237.303 0.995 20 10 BCCDRO CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000876504494 590203961 /nfs/dbraw/zinc/20/39/61/590203961.db2.gz OPSPBGYXSSABRD-AAEUAGOBSA-N 1 0 249.314 0.974 20 10 BCCDRO CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000876504497 590204084 /nfs/dbraw/zinc/20/40/84/590204084.db2.gz OPSPBGYXSSABRD-YPMHNXCESA-N 1 0 249.314 0.974 20 10 BCCDRO CNC(=O)CC[NH2+]Cc1ccc(C)cc1O ZINC000876987192 590265211 /nfs/dbraw/zinc/26/52/11/590265211.db2.gz SDSRNVPEQJKZDH-UHFFFAOYSA-N 1 0 222.288 0.926 20 10 BCCDRO CN(C(=O)C1=NO[C@H](C[NH3+])C1)c1ccc(N)cc1 ZINC000877074416 590278274 /nfs/dbraw/zinc/27/82/74/590278274.db2.gz JJGIISYCEALLCD-JTQLQIEISA-N 1 0 248.286 0.335 20 10 BCCDRO C[C@H](C[NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877077244 590278720 /nfs/dbraw/zinc/27/87/20/590278720.db2.gz AEIBVTCWPJZUGZ-MRVPVSSYSA-N 1 0 207.277 0.826 20 10 BCCDRO Cc1cccc(O)c1C[NH2+]CCc1nnnn1C ZINC000877133346 590291117 /nfs/dbraw/zinc/29/11/17/590291117.db2.gz FTMYHOWMPGOFNC-UHFFFAOYSA-N 1 0 247.302 0.556 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1c(C)cccc1O ZINC000877143026 590291892 /nfs/dbraw/zinc/29/18/92/590291892.db2.gz YVOBNWDSPSDSAF-UHFFFAOYSA-N 1 0 222.288 0.926 20 10 BCCDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc(N)cc1 ZINC000877174110 590296745 /nfs/dbraw/zinc/29/67/45/590296745.db2.gz PXXOERLPVWWBIP-SKDRFNHKSA-N 1 0 233.315 0.759 20 10 BCCDRO Cc1ccc(C[NH2+][C@@]2(CO)CCOC2)c(O)c1 ZINC000877335665 590317956 /nfs/dbraw/zinc/31/79/56/590317956.db2.gz KGSSXLGCDWJUDN-CYBMUJFWSA-N 1 0 237.299 0.942 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1c(C)cccc1O ZINC000877505573 590342988 /nfs/dbraw/zinc/34/29/88/590342988.db2.gz VZFFBVJAWTZXNX-SNVBAGLBSA-N 1 0 225.288 0.798 20 10 BCCDRO CNC(=O)C[N@H+](C)Cc1ccc(C)cc1O ZINC000877642974 590382318 /nfs/dbraw/zinc/38/23/18/590382318.db2.gz YUDUZLZUVHMFAK-UHFFFAOYSA-N 1 0 222.288 0.878 20 10 BCCDRO Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c(O)c1 ZINC000877651289 590384898 /nfs/dbraw/zinc/38/48/98/590384898.db2.gz WAEUMNTXJNCSTL-RYUDHWBXSA-N 1 0 223.272 0.238 20 10 BCCDRO OC[C@H]1C[N@H+](Cc2ccccc2O)C[C@H]1CO ZINC000877765091 590420170 /nfs/dbraw/zinc/42/01/70/590420170.db2.gz XNWGVBPJFUEJJT-TXEJJXNPSA-N 1 0 237.299 0.425 20 10 BCCDRO CN(C)c1ccc(CN2CCO[C@H](C[NH3+])C2)cc1 ZINC000026472300 591504803 /nfs/dbraw/zinc/50/48/03/591504803.db2.gz GQGHEJTXFALWOH-CQSZACIVSA-N 1 0 249.358 0.912 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000131837789 591668325 /nfs/dbraw/zinc/66/83/25/591668325.db2.gz VOTMRYWRATXNLK-GFCCVEGCSA-N 1 0 247.342 0.927 20 10 BCCDRO Cc1ccc(O)c(C[NH+](CCO)CCO)c1 ZINC000196830458 634388524 /nfs/dbraw/zinc/38/85/24/634388524.db2.gz QVQQFPVUKIUUTP-UHFFFAOYSA-N 1 0 225.288 0.487 20 10 BCCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1CNOC1)CC2 ZINC000925866528 635569902 /nfs/dbraw/zinc/56/99/02/635569902.db2.gz MAVRSFRZEIOBBT-UWVGGRQHSA-N 1 0 220.272 0.873 20 10 BCCDRO C[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000078072924 631337485 /nfs/dbraw/zinc/33/74/85/631337485.db2.gz AGZHDXBWFLKEFA-MRVPVSSYSA-N 1 0 207.277 0.275 20 10 BCCDRO c1cc(C[NH2+]C[C@@H]2CNCCO2)cc2c1OCC2 ZINC000258874795 635218242 /nfs/dbraw/zinc/21/82/42/635218242.db2.gz IHSMPRUJOSDEEG-ZDUSSCGKSA-N 1 0 248.326 0.700 20 10 BCCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1CNOC1)CC2 ZINC000925859978 635553003 /nfs/dbraw/zinc/55/30/03/635553003.db2.gz MAVRSFRZEIOBBT-ZJUUUORDSA-N 1 0 220.272 0.873 20 10 BCCDRO C[C@@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccc1O ZINC000305749079 636329413 /nfs/dbraw/zinc/32/94/13/636329413.db2.gz WPQCKKGAVYVDIU-ZYHUDNBSSA-N 1 0 237.299 0.974 20 10 BCCDRO NOCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000904457628 637418555 /nfs/dbraw/zinc/41/85/55/637418555.db2.gz RBBSDVDGPWITLN-UHFFFAOYSA-N 1 0 240.259 0.491 20 10 BCCDRO CN1CC[NH2+]C[C@@H]1C(=O)Nc1ccc(N)cc1 ZINC000911661502 639694241 /nfs/dbraw/zinc/69/42/41/639694241.db2.gz VTHRXUYYQKOUTR-LLVKDONJSA-N 1 0 234.303 0.111 20 10 BCCDRO COc1cccc(C[NH2+][C@H](C)C(N)=O)c1O ZINC000035793581 639947709 /nfs/dbraw/zinc/94/77/09/639947709.db2.gz WJYKSLOJDYFBRQ-SSDOTTSWSA-N 1 0 224.260 0.364 20 10 BCCDRO Cc1cc(O)c(C[NH2+][C@H](C)C(N)=O)cc1C ZINC000164416393 640480325 /nfs/dbraw/zinc/48/03/25/640480325.db2.gz XIZGHXGMTBLPHI-SECBINFHSA-N 1 0 222.288 0.972 20 10 BCCDRO O[C@@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000229641405 640970098 /nfs/dbraw/zinc/97/00/98/640970098.db2.gz HBXYCYXAGPSEIE-CQSZACIVSA-N 1 0 249.310 0.863 20 10 BCCDRO Nc1ccc(NC(=O)CN2CC[NH2+]CC2)cc1 ZINC000062460563 641051146 /nfs/dbraw/zinc/05/11/46/641051146.db2.gz CDCHQLBIVJKBDI-UHFFFAOYSA-N 1 0 234.303 0.113 20 10 BCCDRO Nc1ccc(CC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000157841566 641624747 /nfs/dbraw/zinc/62/47/47/641624747.db2.gz WEOVGZFUDWDXHV-GFCCVEGCSA-N 1 0 233.315 0.761 20 10 BCCDRO C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1O ZINC000915517055 641836000 /nfs/dbraw/zinc/83/60/00/641836000.db2.gz FOUPHWSYEMJNER-NSHDSACASA-N 1 0 249.314 0.896 20 10 BCCDRO Cc1cccc(C[NH2+]C2(C(N)=O)CC2)c1O ZINC000191481079 641922609 /nfs/dbraw/zinc/92/26/09/641922609.db2.gz HDKGHNGHSIEMTP-UHFFFAOYSA-N 1 0 220.272 0.808 20 10 BCCDRO CN(Cc1cc(F)ccc1O)C1C[NH2+]C1 ZINC000234281593 642332134 /nfs/dbraw/zinc/33/21/34/642332134.db2.gz XAEUBJIQVJFTRR-UHFFFAOYSA-N 1 0 210.252 0.935 20 10 BCCDRO C[C@@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccc1O ZINC000305749077 642687273 /nfs/dbraw/zinc/68/72/73/642687273.db2.gz WPQCKKGAVYVDIU-PWSUYJOCSA-N 1 0 237.299 0.974 20 10 BCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@@H](O)CO)c1 ZINC000090282806 643129312 /nfs/dbraw/zinc/12/93/12/643129312.db2.gz NFKXNRKCQDRJDQ-RKDXNWHRSA-N 1 0 241.287 0.405 20 10 BCCDRO Oc1cc2c(cc1CN1CC[NH2+]CC1)OCO2 ZINC000082653544 643362643 /nfs/dbraw/zinc/36/26/43/643362643.db2.gz GTYQZTJCOOTBHA-UHFFFAOYSA-N 1 0 236.271 0.526 20 10 BCCDRO O=C1NCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922237078 643914316 /nfs/dbraw/zinc/91/43/16/643914316.db2.gz NXNGNRBGWWLUKV-LBPRGKRZSA-N 1 0 246.310 0.990 20 10 BCCDRO C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000929969931 646382632 /nfs/dbraw/zinc/38/26/32/646382632.db2.gz GEXUPUKDCOKKIJ-SKDRFNHKSA-N 1 0 225.288 0.566 20 10 BCCDRO Oc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706791650 712155813 /nfs/dbraw/zinc/15/58/13/712155813.db2.gz VAAINFVVPIBGSM-ZYHUDNBSSA-N 1 0 223.272 0.632 20 10 BCCDRO C[C@@H](O)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000717309601 712646225 /nfs/dbraw/zinc/64/62/25/712646225.db2.gz VFCKCBQABNESJO-SBMIAAHKSA-N 1 0 225.288 0.785 20 10 BCCDRO COc1ccc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1C ZINC000717394682 712654154 /nfs/dbraw/zinc/65/41/54/712654154.db2.gz KBTJENJQVLXIJW-PWSUYJOCSA-N 1 0 239.315 0.835 20 10 BCCDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccccc2O)C1 ZINC000386349262 711027887 /nfs/dbraw/zinc/02/78/87/711027887.db2.gz UKTVRQBAEQVTCO-NSHDSACASA-N 1 0 234.299 0.960 20 10 BCCDRO O=C1C[C@@H](C[NH2+]Cc2ccc3c(c2)CCO3)CN1 ZINC000398379797 711409799 /nfs/dbraw/zinc/40/97/99/711409799.db2.gz TWMZCRYDSOOPHY-NSHDSACASA-N 1 0 246.310 0.847 20 10 BCCDRO [NH3+]C1(C(=O)NCc2ccccc2O)CCC1 ZINC000162968888 711748050 /nfs/dbraw/zinc/74/80/50/711748050.db2.gz UATQHZXTMYANEB-UHFFFAOYSA-N 1 0 220.272 0.890 20 10 BCCDRO C[C@@]1(C(=O)Nc2ccc(N)cc2)C[C@@H](O)C[NH2+]1 ZINC000911659515 711819227 /nfs/dbraw/zinc/81/92/27/711819227.db2.gz AQCXLVBEPIXATQ-PWSUYJOCSA-N 1 0 235.287 0.320 20 10 BCCDRO Cc1cccc(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1O ZINC000700618211 712002325 /nfs/dbraw/zinc/00/23/25/712002325.db2.gz BZYHCKKBDJLLCA-NSHDSACASA-N 1 0 249.314 0.943 20 10 BCCDRO Cc1cccc(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1O ZINC000700618209 712002357 /nfs/dbraw/zinc/00/23/57/712002357.db2.gz BZYHCKKBDJLLCA-LLVKDONJSA-N 1 0 249.314 0.943 20 10 BCCDRO CN1CC[C@](O)(C[NH2+]Cc2ccccc2O)C1 ZINC000702550853 712055128 /nfs/dbraw/zinc/05/51/28/712055128.db2.gz NECFPEGCKCWQDV-ZDUSSCGKSA-N 1 0 236.315 0.548 20 10 BCCDRO O=C(NC12CC[NH+](CC1)C2)c1cccc(O)c1O ZINC000715555481 712528108 /nfs/dbraw/zinc/52/81/08/712528108.db2.gz JEISLJLTYKMLOB-UHFFFAOYSA-N 1 0 248.282 0.676 20 10 BCCDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000717388570 712653113 /nfs/dbraw/zinc/65/31/13/712653113.db2.gz QVRVSNLKTNKYRS-SKDRFNHKSA-N 1 0 237.299 0.453 20 10 BCCDRO O=S1(=O)CC[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000019899838 342961471 /nfs/dbraw/zinc/96/14/71/342961471.db2.gz GHJAOSNZIPXXAE-JTQLQIEISA-N 1 0 241.312 0.669 20 10 BCCDRO CNC(=O)CC[NH2+]Cc1cccc(OC)c1O ZINC000044988260 343520669 /nfs/dbraw/zinc/52/06/69/343520669.db2.gz LNDWGBUYBQPENA-UHFFFAOYSA-N 1 0 238.287 0.627 20 10 BCCDRO [NH3+]C1(C(=O)NCc2ccccc2O)CC1 ZINC000083344644 181328154 /nfs/dbraw/zinc/32/81/54/181328154.db2.gz CPDXIQCULBPCTD-UHFFFAOYSA-N 1 0 206.245 0.500 20 10 BCCDRO Oc1ccc(F)cc1C[N@H+]1CCOC[C@H](O)C1 ZINC000294662499 183275577 /nfs/dbraw/zinc/27/55/77/183275577.db2.gz AGWZXYIKUYKKOV-LLVKDONJSA-N 1 0 241.262 0.724 20 10 BCCDRO Oc1cc2c(cc1C[NH2+][C@H]1C[C@@H](O)C1)OCO2 ZINC000294834229 183261647 /nfs/dbraw/zinc/26/16/47/183261647.db2.gz LXNVIUIITSYPEJ-DTORHVGOSA-N 1 0 237.255 0.734 20 10 BCCDRO Oc1ccccc1C[NH2+]C[C@H]1COCCO1 ZINC000038060167 183303490 /nfs/dbraw/zinc/30/34/90/183303490.db2.gz UOKKJZJXGMAZSS-NSHDSACASA-N 1 0 223.272 0.897 20 10 BCCDRO Oc1ccccc1C[NH2+]C[C@]1(O)CCOC1 ZINC000126186053 183304054 /nfs/dbraw/zinc/30/40/54/183304054.db2.gz WJFPPAUFABZUPQ-GFCCVEGCSA-N 1 0 223.272 0.633 20 10 BCCDRO C[C@@H](CO)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000112017435 383887849 /nfs/dbraw/zinc/88/78/49/383887849.db2.gz AGZJLLIXIPLHSG-MRVPVSSYSA-N 1 0 239.271 0.839 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1cccc(OC)c1O ZINC000071268433 384159569 /nfs/dbraw/zinc/15/95/69/384159569.db2.gz YXGSAGPIJCBVPH-SNVBAGLBSA-N 1 0 241.287 0.498 20 10 BCCDRO CS(=O)(=O)CC[NH2+]Cc1ccccc1O ZINC000037740442 384519189 /nfs/dbraw/zinc/51/91/89/384519189.db2.gz MHPOYLOPFAYKIZ-UHFFFAOYSA-N 1 0 229.301 0.526 20 10 BCCDRO CCN(C)C(=O)C[NH2+]Cc1ccccc1O ZINC000162955138 384708023 /nfs/dbraw/zinc/70/80/23/384708023.db2.gz CYBXZCUMSVVVCX-UHFFFAOYSA-N 1 0 222.288 0.960 20 10 BCCDRO CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000145825244 384781531 /nfs/dbraw/zinc/78/15/31/384781531.db2.gz BAPHUBUIIRWKEM-LLVKDONJSA-N 1 0 222.288 0.992 20 10 BCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000083884429 384807829 /nfs/dbraw/zinc/80/78/29/384807829.db2.gz FJFONWHHKCAVNL-QMMMGPOBSA-N 1 0 239.294 0.855 20 10 BCCDRO O=C1NCCC[C@@H]1[NH2+]Cc1cc(F)ccc1O ZINC000226588165 386337133 /nfs/dbraw/zinc/33/71/33/386337133.db2.gz JLBFSUJPMJAUIJ-JTQLQIEISA-N 1 0 238.262 0.900 20 10 BCCDRO Cc1ccc(O)c(C[N@@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000359975640 387791480 /nfs/dbraw/zinc/79/14/80/387791480.db2.gz RGQHSMHCXLASKB-NWDGAFQWSA-N 1 0 237.299 0.628 20 10 BCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)CC[NH3+] ZINC000237101472 132457119 /nfs/dbraw/zinc/45/71/19/132457119.db2.gz UTDBYDJOGBZOET-UHFFFAOYSA-N 1 0 249.314 0.827 20 10 BCCDRO CN1CCN(C)[C@@H](C[NH2+]Cc2ccccc2O)C1 ZINC000225322029 173076346 /nfs/dbraw/zinc/07/63/46/173076346.db2.gz RGOPXECFBGNPRH-ZDUSSCGKSA-N 1 0 249.358 0.728 20 10 BCCDRO C[NH2+]CC(=O)N(C)Cc1ccc(N(C)C)cc1 ZINC000037495176 173324943 /nfs/dbraw/zinc/32/49/43/173324943.db2.gz OHCXUSJZSKWGBA-UHFFFAOYSA-N 1 0 235.331 0.930 20 10 BCCDRO COc1ccc(O)c(CN2CC[NH2+]CC2)c1 ZINC000038086751 175157074 /nfs/dbraw/zinc/15/70/74/175157074.db2.gz YJKQPNUYRTYIMC-UHFFFAOYSA-N 1 0 222.288 0.806 20 10 BCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@@H](C)C(N)=O)c1 ZINC000035793366 175160742 /nfs/dbraw/zinc/16/07/42/175160742.db2.gz FTODPOQUKQHEHP-SFYZADRCSA-N 1 0 238.287 0.925 20 10 BCCDRO COc1cccc(C[NH2+]CCCO)c1O ZINC000020187974 175264618 /nfs/dbraw/zinc/26/46/18/175264618.db2.gz KWBMGAPAKLYVQE-UHFFFAOYSA-N 1 0 211.261 0.873 20 10 BCCDRO CN(C(=O)[C@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000221257767 582610363 /nfs/dbraw/zinc/61/03/63/582610363.db2.gz AUQIADGDTJIZNY-LLVKDONJSA-N 1 0 219.288 0.984 20 10 BCCDRO O=C(N[C@@H]1CC[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000892003349 582758820 /nfs/dbraw/zinc/75/88/20/582758820.db2.gz WGHGAIINZSIQKR-SNVBAGLBSA-N 1 0 247.298 0.779 20 10 BCCDRO COc1cccc(C[NH2+]C[C@@H]2COCO2)c1O ZINC000894872358 583540595 /nfs/dbraw/zinc/54/05/95/583540595.db2.gz IJKSZXZGFBXZDL-SNVBAGLBSA-N 1 0 239.271 0.863 20 10 BCCDRO CON(C)C(=O)C[NH2+]Cc1c(C)cccc1O ZINC000895046713 583572477 /nfs/dbraw/zinc/57/24/77/583572477.db2.gz RCYTZIKFBLKUQM-UHFFFAOYSA-N 1 0 238.287 0.810 20 10 BCCDRO COc1cccc(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1O ZINC000895646601 583698759 /nfs/dbraw/zinc/69/87/59/583698759.db2.gz HMTRTCYLDOLDOA-GWCFXTLKSA-N 1 0 235.283 0.967 20 10 BCCDRO Oc1cc2c(cc1C[N@@H+]1C[C@H]3C[C@@]3(O)C1)OCO2 ZINC000895645217 583700834 /nfs/dbraw/zinc/70/08/34/583700834.db2.gz AGHPTORNQLHDNP-NOZJJQNGSA-N 1 0 249.266 0.688 20 10 BCCDRO COc1ccc(O)c(C[N@@H+]2C[C@@H]3C[C@]3(O)C2)c1 ZINC000895651905 583703393 /nfs/dbraw/zinc/70/33/93/583703393.db2.gz DFTJMMXXIJXDQA-GWCFXTLKSA-N 1 0 235.283 0.967 20 10 BCCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccccc1O ZINC000842000093 583964093 /nfs/dbraw/zinc/96/40/93/583964093.db2.gz ABGCLMAYTUEKNG-BDAKNGLRSA-N 1 0 237.303 0.927 20 10 BCCDRO CCOc1cccc(C[NH2+][C@H]2CNOC2)c1O ZINC000904426782 584881437 /nfs/dbraw/zinc/88/14/37/584881437.db2.gz IOSIRZRTOBNMJE-JTQLQIEISA-N 1 0 238.287 0.784 20 10 BCCDRO CCOc1ccc(C[NH2+][C@@H]2CNOC2)c(O)c1 ZINC000904421680 584881950 /nfs/dbraw/zinc/88/19/50/584881950.db2.gz NTVDCBQDFMTIOP-SNVBAGLBSA-N 1 0 238.287 0.784 20 10 BCCDRO CCOc1ccc(O)c(C[NH2+][C@@H]2CNOC2)c1 ZINC000904421588 584882328 /nfs/dbraw/zinc/88/23/28/584882328.db2.gz KFLUWNGEZZLACZ-SNVBAGLBSA-N 1 0 238.287 0.784 20 10 BCCDRO CO[C@@H](C[NH3+])CC(=O)N(C)c1ccc(N)cc1 ZINC000877077640 584889613 /nfs/dbraw/zinc/88/96/13/584889613.db2.gz PSZBCCDEEHPAGI-LLVKDONJSA-N 1 0 237.303 0.595 20 10 BCCDRO COc1cccc(O)c1C[N@@H+]1CC[C@H](O)C1 ZINC000768410531 585538197 /nfs/dbraw/zinc/53/81/97/585538197.db2.gz YGRSYBYBFUSBDW-VIFPVBQESA-N 1 0 223.272 0.967 20 10 BCCDRO CC1(C)C[NH2+][C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000818545021 586899413 /nfs/dbraw/zinc/89/94/13/586899413.db2.gz AXYKYGKDJAQCBO-GFCCVEGCSA-N 1 0 247.342 0.926 20 10 BCCDRO Nc1ccc(NC(=O)CCOC2C[NH2+]C2)cc1 ZINC000818556292 586900281 /nfs/dbraw/zinc/90/02/81/586900281.db2.gz JARFPAWEYJBICZ-UHFFFAOYSA-N 1 0 235.287 0.586 20 10 BCCDRO COc1ccc(CNC(=O)C[C@H](C)[NH3+])c(O)c1 ZINC000832178418 587648523 /nfs/dbraw/zinc/64/85/23/587648523.db2.gz RAKKUQZGXMXAQJ-QMMMGPOBSA-N 1 0 238.287 0.754 20 10 BCCDRO Nc1ccc(CCNC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000832659032 587674509 /nfs/dbraw/zinc/67/45/09/587674509.db2.gz HYAVRKSNXVTWAT-GFCCVEGCSA-N 1 0 247.342 0.927 20 10 BCCDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659260 587675082 /nfs/dbraw/zinc/67/50/82/587675082.db2.gz WYKXEKRSZSYHTG-GWCFXTLKSA-N 1 0 247.342 0.926 20 10 BCCDRO CC[C@@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000832659210 587675115 /nfs/dbraw/zinc/67/51/15/587675115.db2.gz TUWMCUGGIVBLGJ-LLVKDONJSA-N 1 0 221.304 0.665 20 10 BCCDRO C[C@@H](CC[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000834452167 587755045 /nfs/dbraw/zinc/75/50/45/587755045.db2.gz HILVMBLJQAFSJM-VIFPVBQESA-N 1 0 221.304 0.665 20 10 BCCDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834642832 587762604 /nfs/dbraw/zinc/76/26/04/587762604.db2.gz SXWYQLYSAFKVTQ-MFKMUULPSA-N 1 0 247.342 0.926 20 10 BCCDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000834822944 587767777 /nfs/dbraw/zinc/76/77/77/587767777.db2.gz ZYHSQENWIYFXEY-IUCAKERBSA-N 1 0 221.304 0.663 20 10 BCCDRO C[C@@H](O)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000840979919 587933380 /nfs/dbraw/zinc/93/33/80/587933380.db2.gz VOWLEZLGAKJMLP-MFKMUULPSA-N 1 0 237.299 0.974 20 10 BCCDRO Oc1cc2c(cc1CN[C@@H]1CC[NH2+]C1)OCO2 ZINC000841045396 587938922 /nfs/dbraw/zinc/93/89/22/587938922.db2.gz TVJNRZYZXXASHD-SECBINFHSA-N 1 0 236.271 0.572 20 10 BCCDRO COc1cccc(O)c1CN[C@H](C)C[NH3+] ZINC000841060374 587941451 /nfs/dbraw/zinc/94/14/51/587941451.db2.gz XEYNDBQFGUHCFS-MRVPVSSYSA-N 1 0 210.277 0.838 20 10 BCCDRO COc1cccc(O)c1CN[C@@H](C)C[NH3+] ZINC000841064268 587942160 /nfs/dbraw/zinc/94/21/60/587942160.db2.gz XEYNDBQFGUHCFS-QMMMGPOBSA-N 1 0 210.277 0.838 20 10 BCCDRO [O-]c1c(F)cccc1C[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841077404 587944548 /nfs/dbraw/zinc/94/45/48/587944548.db2.gz KSSHUPHCMRPZDK-JZYVYDRUSA-N 1 0 222.263 0.839 20 10 BCCDRO C[C@@H]([NH3+])[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000841082128 587945221 /nfs/dbraw/zinc/94/52/21/587945221.db2.gz WGFOTMJUGVSBEV-HTQZYQBOSA-N 1 0 238.287 0.946 20 10 BCCDRO CN(Cc1c(O)cccc1Cl)C[C@@H](O)C[NH3+] ZINC000841093811 587946602 /nfs/dbraw/zinc/94/66/02/587946602.db2.gz ULGYRBUTCNKQBE-QMMMGPOBSA-N 1 0 244.722 0.797 20 10 BCCDRO COc1cccc(O)c1CN1CC[C@H]([NH3+])C1 ZINC000843047403 588076149 /nfs/dbraw/zinc/07/61/49/588076149.db2.gz UGTOLOMTJZGVFT-VIFPVBQESA-N 1 0 222.288 0.934 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000843291993 588097755 /nfs/dbraw/zinc/09/77/55/588097755.db2.gz HPFVBBRHLQZPNB-URLYPYJESA-N 1 0 217.272 0.673 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)N[C@H]1CC[NH2+]C1 ZINC000851672367 588614431 /nfs/dbraw/zinc/61/44/31/588614431.db2.gz GHDXEFUHFMXIEJ-NSHDSACASA-N 1 0 249.314 0.896 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000852791225 588702927 /nfs/dbraw/zinc/70/29/27/588702927.db2.gz ZIPGVNSESNTINQ-XWEPSHTISA-N 1 0 205.261 0.945 20 10 BCCDRO OCC[NH+](CCO)Cc1cc(Cl)ccc1O ZINC000862429442 589212309 /nfs/dbraw/zinc/21/23/09/589212309.db2.gz HYBQTIDMHFVEGV-UHFFFAOYSA-N 1 0 245.706 0.832 20 10 BCCDRO C[C@@H](C[NH3+])n1cc(COc2ccc(N)cc2)nn1 ZINC000864631265 589385670 /nfs/dbraw/zinc/38/56/70/589385670.db2.gz XBPDFJREJRYFLP-VIFPVBQESA-N 1 0 247.302 0.959 20 10 BCCDRO Cc1ccc(O)c(CN2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000122482371 589594277 /nfs/dbraw/zinc/59/42/77/589594277.db2.gz SWTVMHOVSBNDCO-ZDUSSCGKSA-N 1 0 249.358 0.775 20 10 BCCDRO CN(C(=O)/C=C\[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000876770922 590239795 /nfs/dbraw/zinc/23/97/95/590239795.db2.gz KQXQYYVBEGMOEA-ISALQUGTSA-N 1 0 248.330 0.939 20 10 BCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000876816463 590245896 /nfs/dbraw/zinc/24/58/96/590245896.db2.gz KIJTUJCSOISXSD-SNVBAGLBSA-N 1 0 249.314 0.943 20 10 BCCDRO CN(C(=O)[C@H]1C[NH2+]CCO1)c1ccc(N)cc1 ZINC000877077645 590279227 /nfs/dbraw/zinc/27/92/27/590279227.db2.gz PYFRNNUFUBHXES-LLVKDONJSA-N 1 0 235.287 0.220 20 10 BCCDRO Nc1ccc(CC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000877168031 590295456 /nfs/dbraw/zinc/29/54/56/590295456.db2.gz DEYMIJXMWODONH-BETUJISGSA-N 1 0 245.326 0.774 20 10 BCCDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc(N)cc1 ZINC000877174107 590296795 /nfs/dbraw/zinc/29/67/95/590296795.db2.gz PXXOERLPVWWBIP-CABZTGNLSA-N 1 0 233.315 0.759 20 10 BCCDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c(O)c1 ZINC000877420517 590325567 /nfs/dbraw/zinc/32/55/67/590325567.db2.gz WIWFXQBOXDYCSL-RYUDHWBXSA-N 1 0 237.299 0.628 20 10 BCCDRO Cc1cccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c1O ZINC000877749110 590412959 /nfs/dbraw/zinc/41/29/59/590412959.db2.gz FYMKSPWYTVSUIP-NEPJUHHUSA-N 1 0 237.299 0.628 20 10 BCCDRO Oc1ccccc1C[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748446 590413688 /nfs/dbraw/zinc/41/36/88/590413688.db2.gz BPZDLUCNBQXRIH-NEPJUHHUSA-N 1 0 223.272 0.320 20 10 BCCDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000132618753 591724735 /nfs/dbraw/zinc/72/47/35/591724735.db2.gz ZPYPLVJVYUBNJH-MFKMUULPSA-N 1 0 236.315 0.940 20 10 BCCDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1O ZINC000134824020 591952800 /nfs/dbraw/zinc/95/28/00/591952800.db2.gz SSZFNQZJVFACKN-UISBYWKRSA-N 1 0 223.272 0.803 20 10 BCCDRO O[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1O ZINC000886255948 592188037 /nfs/dbraw/zinc/18/80/37/592188037.db2.gz QKGJLWIBXDAWKV-CLLJXQQHSA-N 1 0 249.310 0.595 20 10 BCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@H]2CNOC2)c1 ZINC000925869887 635579758 /nfs/dbraw/zinc/57/97/58/635579758.db2.gz RVAUXVRSLNENHB-IUCAKERBSA-N 1 0 238.287 0.955 20 10 BCCDRO NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1O ZINC000179558427 632743555 /nfs/dbraw/zinc/74/35/55/632743555.db2.gz WQEIMZRYXXGZBJ-SNVBAGLBSA-N 1 0 220.272 0.842 20 10 BCCDRO c1cc(C[NH2+]C[C@H]2CNCCO2)cc2c1OCC2 ZINC000258874794 635216788 /nfs/dbraw/zinc/21/67/88/635216788.db2.gz IHSMPRUJOSDEEG-CYBMUJFWSA-N 1 0 248.326 0.700 20 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COc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1C ZINC000323561993 637094540 /nfs/dbraw/zinc/09/45/40/637094540.db2.gz QUQSODGRGTYFOX-NEPJUHHUSA-N 1 0 237.299 0.853 20 10 BCCDRO NOCCC[NH2+]Cc1cc(F)ccc1O ZINC000904458186 637421191 /nfs/dbraw/zinc/42/11/91/637421191.db2.gz UXTJYFSZWUZPGK-UHFFFAOYSA-N 1 0 214.240 0.901 20 10 BCCDRO C[NH2+]CCN(C)C(=O)Cc1ccc(N)cc1 ZINC000069803203 642918200 /nfs/dbraw/zinc/91/82/00/642918200.db2.gz YSYDSVHVKSUVNK-UHFFFAOYSA-N 1 0 221.304 0.489 20 10 BCCDRO Cc1ccc(O)c(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278315899 643028128 /nfs/dbraw/zinc/02/81/28/643028128.db2.gz FQAQVQPKPKQPEN-RYUDHWBXSA-N 1 0 223.272 0.238 20 10 BCCDRO CC[C@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000083365742 643442099 /nfs/dbraw/zinc/44/20/99/643442099.db2.gz OYYYWGNZTPGXAI-JTQLQIEISA-N 1 0 238.287 0.754 20 10 BCCDRO COc1ccc(CNC(=O)CCC[NH3+])c(O)c1 ZINC000083365705 643442258 /nfs/dbraw/zinc/44/22/58/643442258.db2.gz RCCBXXCEFLRESD-UHFFFAOYSA-N 1 0 238.287 0.756 20 10 BCCDRO O=C1NCCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000050395413 643697676 /nfs/dbraw/zinc/69/76/76/643697676.db2.gz UKZZTCCHAMOAQK-LBPRGKRZSA-N 1 0 246.310 0.990 20 10 BCCDRO C[C@@H]([NH2+]C[C@H](O)CO)c1ccccc1O ZINC000085246038 643698751 /nfs/dbraw/zinc/69/87/51/643698751.db2.gz YYKTVORTIFKDIU-BDAKNGLRSA-N 1 0 211.261 0.396 20 10 BCCDRO Oc1cccc2c1[C@H]([NH2+]C[C@@H]1CNCCO1)CC2 ZINC000817983595 644993841 /nfs/dbraw/zinc/99/38/41/644993841.db2.gz OMTWGRLFIQZBRJ-NWDGAFQWSA-N 1 0 248.326 0.958 20 10 BCCDRO COc1ccc(O)c(CNCc2cnn(C)n2)c1 ZINC000389812801 711088734 /nfs/dbraw/zinc/08/87/34/711088734.db2.gz JAJHDXPAVFXKRR-UHFFFAOYSA-N 1 0 248.286 0.819 20 10 BCCDRO CON(C)C(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000397521814 711385422 /nfs/dbraw/zinc/38/54/22/711385422.db2.gz FCHNFJKFDTWCGA-UHFFFAOYSA-N 1 0 242.250 0.641 20 10 BCCDRO O=C1C[C@H](C[NH2+]Cc2ccc3c(c2)CCO3)CN1 ZINC000398379791 711409690 /nfs/dbraw/zinc/40/96/90/711409690.db2.gz TWMZCRYDSOOPHY-LLVKDONJSA-N 1 0 246.310 0.847 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@H]1O ZINC000706720983 712153238 /nfs/dbraw/zinc/15/32/38/712153238.db2.gz FRGFZXDJMAVTKE-ZYHUDNBSSA-N 1 0 241.262 0.771 20 10 BCCDRO C[C@H]([NH2+]C[C@@H](O)CN(C)C)c1ccccc1O ZINC000717276469 712642334 /nfs/dbraw/zinc/64/23/34/712642334.db2.gz FXCAFRMHTHOCNF-WDEREUQCSA-N 1 0 238.331 0.965 20 10 BCCDRO C[NH2+]CC(=O)N[C@@H](C)c1cc(OC)ccc1O ZINC000193129531 712727706 /nfs/dbraw/zinc/72/77/06/712727706.db2.gz HMRIAOARELEXHA-QMMMGPOBSA-N 1 0 238.287 0.797 20 10 BCCDRO O=C(C[NH2+]Cc1ccc2c(c1)CCO2)NC1CC1 ZINC000037363090 343343736 /nfs/dbraw/zinc/34/37/36/343343736.db2.gz MBBJBMSOLWXODF-UHFFFAOYSA-N 1 0 246.310 0.990 20 10 BCCDRO CCN(C(=O)C1=CC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000638396502 352203636 /nfs/dbraw/zinc/20/36/36/352203636.db2.gz LTBDEABZQCWXCY-JTQLQIEISA-N 1 0 234.303 0.821 20 10 BCCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCn3nccc32)C1 ZINC000639035192 353309337 /nfs/dbraw/zinc/30/93/37/353309337.db2.gz WBQOFBPRIRTDLJ-SECBINFHSA-N 1 0 218.260 0.277 20 10 BCCDRO NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000183293783 181270774 /nfs/dbraw/zinc/27/07/74/181270774.db2.gz WFWJKAIVAOGUBP-SNVBAGLBSA-N 1 0 220.272 0.699 20 10 BCCDRO O=C(NCc1ccccc1O)[C@@H]1CCC[NH2+]1 ZINC000162965622 182258100 /nfs/dbraw/zinc/25/81/00/182258100.db2.gz YUPGBOGHUOXSDP-JTQLQIEISA-N 1 0 220.272 0.760 20 10 BCCDRO OC[C@@]1([NH2+]Cc2cc(F)ccc2O)CCOC1 ZINC000184189589 183134020 /nfs/dbraw/zinc/13/40/20/183134020.db2.gz VKGNVSAQSSHIGF-LBPRGKRZSA-N 1 0 241.262 0.772 20 10 BCCDRO O[C@@H]1COC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000295715798 183209664 /nfs/dbraw/zinc/20/96/64/183209664.db2.gz UXYKPZYIIBVNNW-VXGBXAGGSA-N 1 0 235.283 0.471 20 10 BCCDRO Oc1ccc(F)cc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278329635 183274933 /nfs/dbraw/zinc/27/49/33/183274933.db2.gz HAXZYUNRSVUSTN-GHMZBOCLSA-N 1 0 227.235 0.069 20 10 BCCDRO Oc1cccc(Cl)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278114227 183292512 /nfs/dbraw/zinc/29/25/12/183292512.db2.gz AFQHGFFJQNNYSJ-QWRGUYRKSA-N 1 0 243.690 0.583 20 10 BCCDRO CCN(CCO)CC[NH2+]Cc1ccccc1O ZINC000184550421 384619709 /nfs/dbraw/zinc/61/97/09/384619709.db2.gz TYPPDYRASYGUTR-UHFFFAOYSA-N 1 0 238.331 0.796 20 10 BCCDRO COC[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000127935425 384969551 /nfs/dbraw/zinc/96/95/51/384969551.db2.gz MVXBYZQJUSBSQW-LLVKDONJSA-N 1 0 225.288 0.831 20 10 BCCDRO CC[N@H+](CC(N)=O)Cc1cc(OC)ccc1O ZINC000188466061 385056232 /nfs/dbraw/zinc/05/62/32/385056232.db2.gz LNDDDEOUFYZRON-UHFFFAOYSA-N 1 0 238.287 0.708 20 10 BCCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1O ZINC000252824908 385661046 /nfs/dbraw/zinc/66/10/46/385661046.db2.gz SSZFNQZJVFACKN-MKPLZMMCSA-N 1 0 223.272 0.803 20 10 BCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000271233791 385807913 /nfs/dbraw/zinc/80/79/13/385807913.db2.gz AJYWWPGTFHWFJD-LLVKDONJSA-N 1 0 249.314 0.943 20 10 BCCDRO Nc1ccc(CCNC(=O)C[NH2+]CC2CC2)cc1 ZINC000262576866 385862516 /nfs/dbraw/zinc/86/25/16/385862516.db2.gz JVXARKSAYDEBFK-UHFFFAOYSA-N 1 0 247.342 0.927 20 10 BCCDRO 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/nfs/dbraw/zinc/41/01/81/343410181.db2.gz ABKHLHNFNHJGLV-UHFFFAOYSA-N 1 0 221.304 0.718 20 10 BCCDRO OCC(CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000083690342 183034223 /nfs/dbraw/zinc/03/42/23/183034223.db2.gz NWJVMNNNHONLGH-UHFFFAOYSA-N 1 0 223.272 0.064 20 10 BCCDRO OCCOCC[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296075534 183086288 /nfs/dbraw/zinc/08/62/88/183086288.db2.gz SINWTWCHQGMTBI-NSHDSACASA-N 1 0 237.299 0.978 20 10 BCCDRO OC[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000127344753 183110592 /nfs/dbraw/zinc/11/05/92/183110592.db2.gz LCTOBYOCGSRGAJ-ZETCQYMHSA-N 1 0 231.679 0.488 20 10 BCCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000370384163 183129199 /nfs/dbraw/zinc/12/91/99/183129199.db2.gz CKTSXLKYPCJSMF-WDEREUQCSA-N 1 0 241.262 0.459 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000070589595 383938179 /nfs/dbraw/zinc/93/81/79/383938179.db2.gz QYOUYRWDPBMYJL-JTQLQIEISA-N 1 0 211.261 0.489 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000071270286 384157799 /nfs/dbraw/zinc/15/77/99/384157799.db2.gz COIGUUFOZMVWDS-ZDUSSCGKSA-N 1 0 238.331 0.850 20 10 BCCDRO CC[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879564 384251534 /nfs/dbraw/zinc/25/15/34/384251534.db2.gz ALHMGGWBQMHKKK-VIFPVBQESA-N 1 0 239.271 0.981 20 10 BCCDRO CC(C)(O)C[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000096480961 384461135 /nfs/dbraw/zinc/46/11/35/384461135.db2.gz BYIIPULENCMMTM-UHFFFAOYSA-N 1 0 239.271 0.981 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1cccc(C)c1O ZINC000162865421 384700030 /nfs/dbraw/zinc/70/00/30/384700030.db2.gz OIJRTSBTFMWJBN-NSHDSACASA-N 1 0 225.288 0.798 20 10 BCCDRO CC[N@H+](C)CCNC(=O)Cc1ccc(N)cc1 ZINC000054109991 384821164 /nfs/dbraw/zinc/82/11/64/384821164.db2.gz VSSCCINPTGNVIT-UHFFFAOYSA-N 1 0 235.331 0.879 20 10 BCCDRO C[C@H](C[NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000054343805 384834390 /nfs/dbraw/zinc/83/43/90/384834390.db2.gz WJFWQFHHIIJIAZ-SNVBAGLBSA-N 1 0 235.331 0.964 20 10 BCCDRO CN(C)c1ccc(CNC(=O)C[NH3+])cc1F ZINC000083884428 384807173 /nfs/dbraw/zinc/80/71/73/384807173.db2.gz XXIHLZWTHKAVGR-UHFFFAOYSA-N 1 0 225.267 0.467 20 10 BCCDRO C[C@H](C(N)=O)[N@H+](C)Cc1ccccc1O ZINC000109770252 385190990 /nfs/dbraw/zinc/19/09/90/385190990.db2.gz XYAZDZFBSDIBHT-MRVPVSSYSA-N 1 0 208.261 0.698 20 10 BCCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000062115987 385160300 /nfs/dbraw/zinc/16/03/00/385160300.db2.gz LMGKFUUJQXCJRJ-LBPRGKRZSA-N 1 0 247.342 0.978 20 10 BCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000062115986 385160427 /nfs/dbraw/zinc/16/04/27/385160427.db2.gz LMGKFUUJQXCJRJ-GFCCVEGCSA-N 1 0 247.342 0.978 20 10 BCCDRO C[NH2+]CC(=O)NCc1ccc2c(c1)CCCN2C ZINC000166475607 385247516 /nfs/dbraw/zinc/24/75/16/385247516.db2.gz YMUCFUOPILLPQC-UHFFFAOYSA-N 1 0 247.342 0.905 20 10 BCCDRO C[NH+](C)C1CN(C(=O)c2cccc(O)c2O)C1 ZINC000279830659 385205527 /nfs/dbraw/zinc/20/55/27/385205527.db2.gz NEKJGJFISXKAJQ-UHFFFAOYSA-N 1 0 236.271 0.484 20 10 BCCDRO COC[C@H](CO)[NH2+]Cc1cc(F)ccc1O ZINC000234787755 386099121 /nfs/dbraw/zinc/09/91/21/386099121.db2.gz IHIDEBNUJVFINB-JTQLQIEISA-N 1 0 229.251 0.628 20 10 BCCDRO C[NH+](C)CCNC(=O)c1c(F)ccc(O)c1O ZINC000277465644 386437185 /nfs/dbraw/zinc/43/71/85/386437185.db2.gz MYISDUVUCZTEFR-UHFFFAOYSA-N 1 0 242.250 0.528 20 10 BCCDRO C[N@H+](CCC(N)=O)Cc1ccccc1O ZINC000264677043 388992347 /nfs/dbraw/zinc/99/23/47/388992347.db2.gz BAVALYVTANTMHT-UHFFFAOYSA-N 1 0 208.261 0.699 20 10 BCCDRO CN(C)C(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801570 132388524 /nfs/dbraw/zinc/38/85/24/132388524.db2.gz SXDRNXLWNIUIAL-UHFFFAOYSA-N 1 0 247.342 0.986 20 10 BCCDRO CN1CCc2cc(CNC(=O)C[NH+](C)C)ccc21 ZINC000169810759 398031640 /nfs/dbraw/zinc/03/16/40/398031640.db2.gz NZGSZHFWRLCWOH-UHFFFAOYSA-N 1 0 247.342 0.857 20 10 BCCDRO CNC(=O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363025 173277366 /nfs/dbraw/zinc/27/73/66/173277366.db2.gz QUDXRHJZSSWPLB-UHFFFAOYSA-N 1 0 220.272 0.457 20 10 BCCDRO CNC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000087728085 173278214 /nfs/dbraw/zinc/27/82/14/173278214.db2.gz BBYNHPCJYDLKRM-QMMMGPOBSA-N 1 0 208.261 0.789 20 10 BCCDRO COCC[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000282350400 174389417 /nfs/dbraw/zinc/38/94/17/174389417.db2.gz VOOHVUMBOJPAGP-NSHDSACASA-N 1 0 225.288 0.879 20 10 BCCDRO COc1ccc(O)c([C@@H](C)[NH2+][C@H](C)C(N)=O)c1 ZINC000035793373 175160809 /nfs/dbraw/zinc/16/08/09/175160809.db2.gz FTODPOQUKQHEHP-HTQZYQBOSA-N 1 0 238.287 0.925 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2COCCN2)c1 ZINC000530181301 324512547 /nfs/dbraw/zinc/51/25/47/324512547.db2.gz LMHIJYWNYQIFEC-LBPRGKRZSA-N 1 0 236.315 0.779 20 10 BCCDRO C[NH2+]C[C@@H](C)NCc1cc2c(cc1O)OCO2 ZINC000853249295 588728734 /nfs/dbraw/zinc/72/87/34/588728734.db2.gz PEXFQDVHIHBNCR-MRVPVSSYSA-N 1 0 238.287 0.818 20 10 BCCDRO C[C@H]([NH3+])CCNC(=O)NCc1ccccc1O ZINC000857110904 588889299 /nfs/dbraw/zinc/88/92/99/588889299.db2.gz WHUBNYUCPMHWLX-VIFPVBQESA-N 1 0 237.303 0.929 20 10 BCCDRO Oc1ccccc1C[NH2+]CCN1CC[C@@H](O)C1 ZINC000858297463 588943026 /nfs/dbraw/zinc/94/30/26/588943026.db2.gz DJNAIJXPXIECBZ-GFCCVEGCSA-N 1 0 236.315 0.548 20 10 BCCDRO CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1O ZINC000858325239 588945671 /nfs/dbraw/zinc/94/56/71/588945671.db2.gz RKBHBXMLOFWMCF-SECBINFHSA-N 1 0 238.287 0.890 20 10 BCCDRO C[C@@]1([NH2+]Cc2ccccc2O)CCNC1=O ZINC000897871034 584055781 /nfs/dbraw/zinc/05/57/81/584055781.db2.gz FKWQYZYTLMSZRO-GFCCVEGCSA-N 1 0 220.272 0.760 20 10 BCCDRO COc1cccc(C[NH2+][C@H]2CNOC2)c1O ZINC000904427087 584881346 /nfs/dbraw/zinc/88/13/46/584881346.db2.gz QVSCZNPUFKOBLL-VIFPVBQESA-N 1 0 224.260 0.394 20 10 BCCDRO Cc1cccc(C[NH2+][C@H]2CNOC2)c1O ZINC000904425833 584881464 /nfs/dbraw/zinc/88/14/64/584881464.db2.gz ZNOFTVOTUIGYMY-JTQLQIEISA-N 1 0 208.261 0.694 20 10 BCCDRO COc1cccc(O)c1C[NH2+][C@H]1CNOC1 ZINC000904427083 584881608 /nfs/dbraw/zinc/88/16/08/584881608.db2.gz QJHBYQCFMOOXLI-QMMMGPOBSA-N 1 0 224.260 0.394 20 10 BCCDRO CCNC(=O)C1C[NH+](Cc2ccccc2O)C1 ZINC000839137685 585094423 /nfs/dbraw/zinc/09/44/23/585094423.db2.gz DXNNFHZYJVLXFW-UHFFFAOYSA-N 1 0 234.299 0.960 20 10 BCCDRO Cn1cccc1CNC(=S)NCC[NH+](C)C ZINC000743062216 585133477 /nfs/dbraw/zinc/13/34/77/585133477.db2.gz VMWCPSALHCGJLM-UHFFFAOYSA-N 1 0 240.376 0.551 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]CCc2nnnn2C)c1 ZINC000771875337 585602980 /nfs/dbraw/zinc/60/29/80/585602980.db2.gz FXSWELATRNSJPE-UHFFFAOYSA-N 1 0 247.302 0.556 20 10 BCCDRO Nc1ccc(CC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000832244054 587651960 /nfs/dbraw/zinc/65/19/60/587651960.db2.gz IBAKZSKYXXXNOW-LLVKDONJSA-N 1 0 219.288 0.371 20 10 BCCDRO C[C@H]([NH3+])CCNC(=O)Cc1ccc(N)cc1 ZINC000832565944 587667018 /nfs/dbraw/zinc/66/70/18/587667018.db2.gz TZRPNPTYMFWWJD-VIFPVBQESA-N 1 0 221.304 0.665 20 10 BCCDRO C[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659263 587675072 /nfs/dbraw/zinc/67/50/72/587675072.db2.gz WYKXEKRSZSYHTG-ZWNOBZJWSA-N 1 0 247.342 0.926 20 10 BCCDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000832659261 587675243 /nfs/dbraw/zinc/67/52/43/587675243.db2.gz WYKXEKRSZSYHTG-GXFFZTMASA-N 1 0 247.342 0.926 20 10 BCCDRO C[C@@H](NC(=O)Cc1ccc(N)cc1)[C@H](C)[NH3+] ZINC000834822942 587767780 /nfs/dbraw/zinc/76/77/80/587767780.db2.gz ZYHSQENWIYFXEY-DTWKUNHWSA-N 1 0 221.304 0.663 20 10 BCCDRO Nc1ccc(CC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000834870886 587769206 /nfs/dbraw/zinc/76/92/06/587769206.db2.gz YWKKJPUMRCCHAQ-YPMHNXCESA-N 1 0 245.326 0.632 20 10 BCCDRO C[C@@H](O)[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000840979920 587932892 /nfs/dbraw/zinc/93/28/92/587932892.db2.gz VOWLEZLGAKJMLP-ZWNOBZJWSA-N 1 0 237.299 0.974 20 10 BCCDRO CC[C@@H]([NH3+])CNCc1cc2c(cc1O)OCO2 ZINC000841071189 587942897 /nfs/dbraw/zinc/94/28/97/587942897.db2.gz ZYHDSSYCHVHGHD-SECBINFHSA-N 1 0 238.287 0.948 20 10 BCCDRO CN(Cc1c(O)cccc1Cl)C[C@H](O)C[NH3+] ZINC000841093810 587946242 /nfs/dbraw/zinc/94/62/42/587946242.db2.gz ULGYRBUTCNKQBE-MRVPVSSYSA-N 1 0 244.722 0.797 20 10 BCCDRO COc1cc(O)c(CN(C)CC[NH3+])cc1OC ZINC000841100674 587946335 /nfs/dbraw/zinc/94/63/35/587946335.db2.gz LLNBKRUMQDGAPX-UHFFFAOYSA-N 1 0 240.303 0.800 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1CNCCO1 ZINC000841098081 587946756 /nfs/dbraw/zinc/94/67/56/587946756.db2.gz BQOUAHDOUVKDGV-NSHDSACASA-N 1 0 240.278 0.609 20 10 BCCDRO [NH3+]C[C@@H]1CN(Cc2cccc(F)c2O)CCO1 ZINC000843066259 588078350 /nfs/dbraw/zinc/07/83/50/588078350.db2.gz TXJJOAWMOOWHPJ-SNVBAGLBSA-N 1 0 240.278 0.691 20 10 BCCDRO Nc1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852790258 588702760 /nfs/dbraw/zinc/70/27/60/588702760.db2.gz NBSDUGLXJWEIMH-SECBINFHSA-N 1 0 234.259 0.311 20 10 BCCDRO Nc1ccc(CCNC(=O)CC2([NH3+])CC2)cc1 ZINC000852797368 588703708 /nfs/dbraw/zinc/70/37/08/588703708.db2.gz QDYPRFNRYKBLDP-UHFFFAOYSA-N 1 0 233.315 0.809 20 10 BCCDRO Nc1ccc(CC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000852858480 588708833 /nfs/dbraw/zinc/70/88/33/588708833.db2.gz AYXNEANRZOWHSM-UHFFFAOYSA-N 1 0 245.326 0.761 20 10 BCCDRO COc1cccc(CN[C@@H]2CC[NH2+]C2)c1O ZINC000863488236 589293838 /nfs/dbraw/zinc/29/38/38/589293838.db2.gz JZRNPPXUMABMKX-SNVBAGLBSA-N 1 0 222.288 0.852 20 10 BCCDRO CN(C[C@H]1C[NH2+]CCO1)c1ccc(N)cc1 ZINC000863558222 589299027 /nfs/dbraw/zinc/29/90/27/589299027.db2.gz AGRBRBKOLDMIHP-GFCCVEGCSA-N 1 0 221.304 0.693 20 10 BCCDRO C[C@@H]([NH3+])CN(C)Cc1cc2c(cc1O)OCO2 ZINC000863653615 589307998 /nfs/dbraw/zinc/30/79/98/589307998.db2.gz OESIFIRSYUQWEE-MRVPVSSYSA-N 1 0 238.287 0.900 20 10 BCCDRO C[NH2+]CCCN(C)C(=O)Cc1ccc(N)cc1 ZINC000124639054 590068286 /nfs/dbraw/zinc/06/82/86/590068286.db2.gz CJYPBSALXZPZKO-UHFFFAOYSA-N 1 0 235.331 0.879 20 10 BCCDRO C[C@]1(C(=O)Nc2ccc(N)cc2)C[NH2+]CCO1 ZINC000876504098 590204108 /nfs/dbraw/zinc/20/41/08/590204108.db2.gz JMHVSMNNXQGTMG-GFCCVEGCSA-N 1 0 235.287 0.586 20 10 BCCDRO CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000876504496 590204155 /nfs/dbraw/zinc/20/41/55/590204155.db2.gz OPSPBGYXSSABRD-WCQYABFASA-N 1 0 249.314 0.974 20 10 BCCDRO [O-]c1c(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)ccc(F)c1F ZINC000876749359 590237341 /nfs/dbraw/zinc/23/73/41/590237341.db2.gz JVVMBKYIKINAEL-DTORHVGOSA-N 1 0 245.225 0.208 20 10 BCCDRO CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000876770921 590239940 /nfs/dbraw/zinc/23/99/40/590239940.db2.gz KQXQYYVBEGMOEA-GZTOBOFZSA-N 1 0 248.330 0.939 20 10 BCCDRO Cc1cccc(O)c1C[NH2+]CCOCCO ZINC000876889486 590254356 /nfs/dbraw/zinc/25/43/56/590254356.db2.gz OGKUGEVFIWTGRA-UHFFFAOYSA-N 1 0 225.288 0.799 20 10 BCCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000877112128 590287113 /nfs/dbraw/zinc/28/71/13/590287113.db2.gz PITIMWITFIQSDZ-JOYOIKCWSA-N 1 0 233.315 0.678 20 10 BCCDRO Cc1cccc(O)c1C[NH2+]CC1(CO)COC1 ZINC000877114173 590287865 /nfs/dbraw/zinc/28/78/65/590287865.db2.gz VKROMMCZXFEUAS-UHFFFAOYSA-N 1 0 237.299 0.799 20 10 BCCDRO Cc1cccc(O)c1C[NH2+]C[C@@]1(O)CCOC1 ZINC000877118333 590288148 /nfs/dbraw/zinc/28/81/48/590288148.db2.gz XOCZFZXWSCRNRQ-ZDUSSCGKSA-N 1 0 237.299 0.942 20 10 BCCDRO Cc1ccc(C[NH2+]C[C@@]2(O)CCOC2)c(O)c1 ZINC000877118227 590288447 /nfs/dbraw/zinc/28/84/47/590288447.db2.gz RWAOWRLMEZTNQC-ZDUSSCGKSA-N 1 0 237.299 0.942 20 10 BCCDRO Cc1cccc(O)c1C[NH2+]CC(=O)N(C)C ZINC000877150256 590292756 /nfs/dbraw/zinc/29/27/56/590292756.db2.gz NHSVOHNYYBXFPX-UHFFFAOYSA-N 1 0 222.288 0.878 20 10 BCCDRO O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CCn2nccc21 ZINC000877293098 590307533 /nfs/dbraw/zinc/30/75/33/590307533.db2.gz IKFMVXYTOJMHJM-PGLGOXFNSA-N 1 0 246.314 0.786 20 10 BCCDRO CN1CC[N@H+](Cc2ccccc2O)[C@@H](CO)C1 ZINC000877643151 590383245 /nfs/dbraw/zinc/38/32/45/590383245.db2.gz AXUYKQPXHDAXDV-GFCCVEGCSA-N 1 0 236.315 0.501 20 10 BCCDRO Cn1nnnc1CC[N@H+](C)Cc1ccccc1O ZINC000878242943 590528007 /nfs/dbraw/zinc/52/80/07/590528007.db2.gz XOMNMHROHKBOOU-UHFFFAOYSA-N 1 0 247.302 0.590 20 10 BCCDRO C[C@@](O)(CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000127345354 590624929 /nfs/dbraw/zinc/62/49/29/590624929.db2.gz KCIDDQUEAKSSSW-NSHDSACASA-N 1 0 245.706 0.879 20 10 BCCDRO CN(C)c1ccc(C[NH2+]C(CO)CO)cc1 ZINC000083692385 631427277 /nfs/dbraw/zinc/42/72/77/631427277.db2.gz ITIOWPLGPHZZJG-UHFFFAOYSA-N 1 0 224.304 0.195 20 10 BCCDRO Nc1ccc(CC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000178729198 635675198 /nfs/dbraw/zinc/67/51/98/635675198.db2.gz CDNBQRKSMQMFLD-LBPRGKRZSA-N 1 0 233.315 0.680 20 10 BCCDRO Nc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000309632173 633977885 /nfs/dbraw/zinc/97/78/85/633977885.db2.gz RJSUTJRSEBEGCR-UHFFFAOYSA-N 1 0 205.261 0.959 20 10 BCCDRO OC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000259032491 635234295 /nfs/dbraw/zinc/23/42/95/635234295.db2.gz OVJQCVBGADEOON-GFCCVEGCSA-N 1 0 237.299 0.454 20 10 BCCDRO COc1cccc(CN(C)CC[NH3+])c1O ZINC000054416745 636636196 /nfs/dbraw/zinc/63/61/96/636636196.db2.gz BXSLUHMKXGPMEC-UHFFFAOYSA-N 1 0 210.277 0.791 20 10 BCCDRO CNC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801574 641091898 /nfs/dbraw/zinc/09/18/98/641091898.db2.gz VRJGXPDAJIUDAB-UHFFFAOYSA-N 1 0 233.315 0.644 20 10 BCCDRO Nc1ccc(CC(=O)NCCC[NH3+])cc1 ZINC000040832379 641537880 /nfs/dbraw/zinc/53/78/80/641537880.db2.gz WVFPJNSBVAQVKJ-UHFFFAOYSA-N 1 0 207.277 0.276 20 10 BCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@@H](O)CO)c1 ZINC000090282805 643130096 /nfs/dbraw/zinc/13/00/96/643130096.db2.gz NFKXNRKCQDRJDQ-DTWKUNHWSA-N 1 0 241.287 0.405 20 10 BCCDRO CC[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000083345386 643435546 /nfs/dbraw/zinc/43/55/46/643435546.db2.gz YLPCMXIGELJYRO-SECBINFHSA-N 1 0 208.261 0.746 20 10 BCCDRO c1cc(CN[C@@H]2C[NH2+]CCOC2)cc2c1OCC2 ZINC000925560019 646335299 /nfs/dbraw/zinc/33/52/99/646335299.db2.gz VVZMUDVHNIZCGB-CYBMUJFWSA-N 1 0 248.326 0.700 20 10 BCCDRO CN(C)c1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000036747082 712489106 /nfs/dbraw/zinc/48/91/06/712489106.db2.gz NJTKPQJZZGPMFY-UHFFFAOYSA-N 1 0 221.304 0.718 20 10 BCCDRO C[C@H]([NH2+][C@@H]1CCNC1=O)c1ccccc1O ZINC000381328647 710622374 /nfs/dbraw/zinc/62/23/74/710622374.db2.gz SCRLTYWXDCFJAL-WCBMZHEXSA-N 1 0 220.272 0.931 20 10 BCCDRO Cn1ncc(CNCc2cc(F)ccc2O)n1 ZINC000389836059 711090563 /nfs/dbraw/zinc/09/05/63/711090563.db2.gz OWKXOJCAAVOOIF-UHFFFAOYSA-N 1 0 236.250 0.950 20 10 BCCDRO C[C@H]([NH2+]C[C@H](O)CN(C)C)c1ccccc1O ZINC000717276467 712642191 /nfs/dbraw/zinc/64/21/91/712642191.db2.gz FXCAFRMHTHOCNF-QWRGUYRKSA-N 1 0 238.331 0.965 20 10 BCCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825822 343410141 /nfs/dbraw/zinc/41/01/41/343410141.db2.gz FUMLAYQQFXPUQV-SECBINFHSA-N 1 0 221.304 0.716 20 10 BCCDRO Cc1cccc(C[NH2+]CCS(C)(=O)=O)c1O ZINC000162832075 179091478 /nfs/dbraw/zinc/09/14/78/179091478.db2.gz ZXKDEAGYIRYRRH-UHFFFAOYSA-N 1 0 243.328 0.835 20 10 BCCDRO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1O ZINC000359973384 188258613 /nfs/dbraw/zinc/25/86/13/188258613.db2.gz KYEWFXUMHLTRNQ-GHMZBOCLSA-N 1 0 223.272 0.320 20 10 BCCDRO NC(=O)[C@@H]1CC[N@H+](Cc2cc(F)ccc2O)C1 ZINC000183293384 181270880 /nfs/dbraw/zinc/27/08/80/181270880.db2.gz DYIHZHZKVQEWPC-MRVPVSSYSA-N 1 0 238.262 0.839 20 10 BCCDRO OCCOCC[NH2+]Cc1cc(F)ccc1O ZINC000083356603 183083781 /nfs/dbraw/zinc/08/37/81/183083781.db2.gz MXRRLYCIEFUIFB-UHFFFAOYSA-N 1 0 229.251 0.630 20 10 BCCDRO OC[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000370384162 183156116 /nfs/dbraw/zinc/15/61/16/183156116.db2.gz CKTSXLKYPCJSMF-MNOVXSKESA-N 1 0 241.262 0.459 20 10 BCCDRO Oc1ccc(F)cc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278329640 183275616 /nfs/dbraw/zinc/27/56/16/183275616.db2.gz HAXZYUNRSVUSTN-PHIMTYICSA-N 1 0 227.235 0.069 20 10 BCCDRO Oc1ccccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000363891257 183301854 /nfs/dbraw/zinc/30/18/54/183301854.db2.gz TUCGKKQTKQUOKS-CYBMUJFWSA-N 1 0 248.326 0.909 20 10 BCCDRO CCC[NH2+]CCNC(=O)Cc1ccc(N)cc1 ZINC000236770497 169258229 /nfs/dbraw/zinc/25/82/29/169258229.db2.gz LCSAFPQTWMGOPF-UHFFFAOYSA-N 1 0 235.331 0.927 20 10 BCCDRO C[C@H](C[NH3+])C(=O)N(C)Cc1ccccc1O ZINC000054342017 384833707 /nfs/dbraw/zinc/83/37/07/384833707.db2.gz ZWDNZUURIVAQAH-SECBINFHSA-N 1 0 222.288 0.945 20 10 BCCDRO C[C@@H]([NH3+])C(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000083884430 384807755 /nfs/dbraw/zinc/80/77/55/384807755.db2.gz FJFONWHHKCAVNL-MRVPVSSYSA-N 1 0 239.294 0.855 20 10 BCCDRO C[N@H+](CC(=O)NC(N)=O)Cc1ccccc1O ZINC000109772571 385190865 /nfs/dbraw/zinc/19/08/65/385190865.db2.gz BUSPXMDUKRINRU-UHFFFAOYSA-N 1 0 237.259 0.019 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000229640861 385648342 /nfs/dbraw/zinc/64/83/42/385648342.db2.gz FRPLUWUCTXZQNP-CYBMUJFWSA-N 1 0 237.299 0.942 20 10 BCCDRO C[C@@H]([NH2+]Cc1ccccc1O)C(=O)NCCF ZINC000282670404 385776945 /nfs/dbraw/zinc/77/69/45/385776945.db2.gz MUJFGXXRTVHRPB-SECBINFHSA-N 1 0 240.278 0.956 20 10 BCCDRO CN(C)c1ccc(C[NH2+]C[C@@H](O)CO)cc1F ZINC000276745933 386372717 /nfs/dbraw/zinc/37/27/17/386372717.db2.gz LFIQHVUAFLSJDF-SNVBAGLBSA-N 1 0 242.294 0.335 20 10 BCCDRO CS(=O)(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226586707 386336413 /nfs/dbraw/zinc/33/64/13/386336413.db2.gz HSSAOHZNPMMJDM-UHFFFAOYSA-N 1 0 247.291 0.666 20 10 BCCDRO C[C@H]([NH3+])C(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000178863364 397850426 /nfs/dbraw/zinc/85/04/26/397850426.db2.gz XYXIFQPPCFBFEZ-VIFPVBQESA-N 1 0 249.314 0.825 20 10 BCCDRO COc1ccc(O)c(C[N@H+](C)CCO)c1 ZINC000163118495 175157424 /nfs/dbraw/zinc/15/74/24/175157424.db2.gz UZRVTXFOCVVNMN-UHFFFAOYSA-N 1 0 211.261 0.825 20 10 BCCDRO COc1cccc(C[N@H+](C)CCC(N)=O)c1O ZINC000289588973 175255724 /nfs/dbraw/zinc/25/57/24/175255724.db2.gz KHNDFGNNWBJYEM-UHFFFAOYSA-N 1 0 238.287 0.708 20 10 BCCDRO C[NH2+]CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000891992080 582755213 /nfs/dbraw/zinc/75/52/13/582755213.db2.gz BLEQSXBHDOPLMI-UHFFFAOYSA-N 1 0 235.287 0.637 20 10 BCCDRO C[C@H](C[NH3+])NC(=O)N1Cc2cccc(O)c2C1 ZINC000892061628 582779948 /nfs/dbraw/zinc/77/99/48/582779948.db2.gz IQZVPBYTRNHMQO-MRVPVSSYSA-N 1 0 235.287 0.765 20 10 BCCDRO [NH3+]C/C=C\CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892123011 582795379 /nfs/dbraw/zinc/79/53/79/582795379.db2.gz WRJBGBQRYOSQEG-UPHRSURJSA-N 1 0 247.298 0.932 20 10 BCCDRO [NH3+]C/C=C/CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892123010 582795640 /nfs/dbraw/zinc/79/56/40/582795640.db2.gz WRJBGBQRYOSQEG-OWOJBTEDSA-N 1 0 247.298 0.932 20 10 BCCDRO COc1cc(C)cc(C[NH2+]CCO)c1O ZINC000894385234 583443366 /nfs/dbraw/zinc/44/33/66/583443366.db2.gz SZHYTIKOAGFHMF-UHFFFAOYSA-N 1 0 211.261 0.791 20 10 BCCDRO COC[C@@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000894616644 583495591 /nfs/dbraw/zinc/49/55/91/583495591.db2.gz GWJZQSQXGFJXJW-SNVBAGLBSA-N 1 0 225.288 0.798 20 10 BCCDRO CN(C(=O)C(C)(C)[NH3+])c1ccc(N)cc1 ZINC000140894087 583545136 /nfs/dbraw/zinc/54/51/36/583545136.db2.gz OURFEBBCVRUWMF-UHFFFAOYSA-N 1 0 207.277 0.969 20 10 BCCDRO C[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCNC1=O ZINC000897871022 584056116 /nfs/dbraw/zinc/05/61/16/584056116.db2.gz FAYDSBRWEPWANJ-AWEZNQCLSA-N 1 0 246.310 0.990 20 10 BCCDRO [NH3+][C@@]1(CO)CCCN(Cc2ccccc2O)C1 ZINC000904402082 584878217 /nfs/dbraw/zinc/87/82/17/584878217.db2.gz MBWWXFVWWJPDJP-ZDUSSCGKSA-N 1 0 236.315 0.678 20 10 BCCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CNOC1)OCO2 ZINC000904421564 584882169 /nfs/dbraw/zinc/88/21/69/584882169.db2.gz JPFAUBFHHWKJSE-MRVPVSSYSA-N 1 0 238.243 0.114 20 10 BCCDRO c1cc(C[NH2+][C@@H]2CNOC2)cc2c1OCC2 ZINC000904421788 584882525 /nfs/dbraw/zinc/88/25/25/584882525.db2.gz RVZGBYNYNUIKEY-LLVKDONJSA-N 1 0 220.272 0.615 20 10 BCCDRO OC[C@]1(O)CCC[N@H+](Cc2ccccc2O)C1 ZINC000839161025 585098207 /nfs/dbraw/zinc/09/82/07/585098207.db2.gz YYNXJSPEBKHAHW-ZDUSSCGKSA-N 1 0 237.299 0.711 20 10 BCCDRO CC1(C)C[NH2+][C@H]1C(=O)NCCc1ccc(N)cc1 ZINC000818545022 586899411 /nfs/dbraw/zinc/89/94/11/586899411.db2.gz AXYKYGKDJAQCBO-LBPRGKRZSA-N 1 0 247.342 0.926 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000818545321 586899650 /nfs/dbraw/zinc/89/96/50/586899650.db2.gz XWNJTYYZLFJTMG-LLVKDONJSA-N 1 0 219.288 0.289 20 10 BCCDRO CO[C@@H]1C[N@H+](Cc2cc(F)ccc2O)C[C@H]1O ZINC000825017909 587299139 /nfs/dbraw/zinc/29/91/39/587299139.db2.gz ZTPXHNXGDWSZRV-VXGBXAGGSA-N 1 0 241.262 0.723 20 10 BCCDRO CO[C@@H]1C[N@H+](Cc2cccc(C)c2O)C[C@H]1O ZINC000825017392 587299345 /nfs/dbraw/zinc/29/93/45/587299345.db2.gz QDBCVTSJZHIAFF-VXGBXAGGSA-N 1 0 237.299 0.892 20 10 BCCDRO CC(=O)NC[C@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284066 587653173 /nfs/dbraw/zinc/65/31/73/587653173.db2.gz HGWSXBRIWCDXFV-LBPRGKRZSA-N 1 0 221.304 0.889 20 10 BCCDRO Nc1ccc(CC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000832554135 587665920 /nfs/dbraw/zinc/66/59/20/587665920.db2.gz GISAGWIRGLLAAQ-LLVKDONJSA-N 1 0 233.315 0.619 20 10 BCCDRO CC[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000832659211 587675198 /nfs/dbraw/zinc/67/51/98/587675198.db2.gz TUWMCUGGIVBLGJ-NSHDSACASA-N 1 0 221.304 0.665 20 10 BCCDRO Cc1cc(N(C)C)ccc1C[N@H+](C)CC(N)=O ZINC000840911051 587929371 /nfs/dbraw/zinc/92/93/71/587929371.db2.gz VLBYKIOSUANALT-UHFFFAOYSA-N 1 0 235.331 0.978 20 10 BCCDRO C[C@H](O)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000840979916 587932907 /nfs/dbraw/zinc/93/29/07/587932907.db2.gz VOWLEZLGAKJMLP-GWCFXTLKSA-N 1 0 237.299 0.974 20 10 BCCDRO COc1ccc(O)c(CN[C@H]2CC[NH2+]C2)c1 ZINC000841044382 587939205 /nfs/dbraw/zinc/93/92/05/587939205.db2.gz DOUMLLCZIZNREB-JTQLQIEISA-N 1 0 222.288 0.852 20 10 BCCDRO CN(CC[NH3+])Cc1cc2c(cc1O)OCO2 ZINC000841100444 587946570 /nfs/dbraw/zinc/94/65/70/587946570.db2.gz YNLXJNYYKKCMQI-UHFFFAOYSA-N 1 0 224.260 0.511 20 10 BCCDRO O=C(NCC[NH2+]C1CC1)NCc1ccccc1O ZINC000841929086 587985691 /nfs/dbraw/zinc/98/56/91/587985691.db2.gz RXKIVGSCSVYXDC-UHFFFAOYSA-N 1 0 249.314 0.943 20 10 BCCDRO CCN(OC)C(=O)C[NH2+]Cc1ccccc1O ZINC000842768574 588061505 /nfs/dbraw/zinc/06/15/05/588061505.db2.gz RFVPUYCOUZQNPO-UHFFFAOYSA-N 1 0 238.287 0.892 20 10 BCCDRO C[C@H](C[NH3+])N(C)Cc1cc2c(cc1O)OCO2 ZINC000843052528 588077065 /nfs/dbraw/zinc/07/70/65/588077065.db2.gz VMYHRCNXRDWHER-MRVPVSSYSA-N 1 0 238.287 0.900 20 10 BCCDRO Nc1ccc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000843294929 588098295 /nfs/dbraw/zinc/09/82/95/588098295.db2.gz MHIFSOLTVFHVNB-LBPRGKRZSA-N 1 0 249.314 0.976 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000843343533 588101250 /nfs/dbraw/zinc/10/12/50/588101250.db2.gz YNCGGIBAEHYPDT-RTXFEEFZSA-N 1 0 245.326 0.678 20 10 BCCDRO CC1(C(N)=O)C[NH+](Cc2cc(F)ccc2O)C1 ZINC000843415559 588107127 /nfs/dbraw/zinc/10/71/27/588107127.db2.gz IZWVFCRYQKNUMR-UHFFFAOYSA-N 1 0 238.262 0.839 20 10 BCCDRO CC1(C(N)=O)C[NH+](Cc2ccccc2O)C1 ZINC000843415469 588107293 /nfs/dbraw/zinc/10/72/93/588107293.db2.gz GIECOHPHDKQCBP-UHFFFAOYSA-N 1 0 220.272 0.699 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000861704524 589175359 /nfs/dbraw/zinc/17/53/59/589175359.db2.gz GHDXEFUHFMXIEJ-LLVKDONJSA-N 1 0 249.314 0.896 20 10 BCCDRO C[C@@H]([NH3+])Cn1cc(COc2ccc(N)cc2)nn1 ZINC000864632816 589385743 /nfs/dbraw/zinc/38/57/43/589385743.db2.gz RBLGDAXRBWDGFB-SECBINFHSA-N 1 0 247.302 0.787 20 10 BCCDRO C[NH+](C)CC(=O)NCCc1ccc(O)c(O)c1 ZINC000122170338 589560428 /nfs/dbraw/zinc/56/04/28/589560428.db2.gz XPIMMQWPLOWMOE-UHFFFAOYSA-N 1 0 238.287 0.318 20 10 BCCDRO Nc1ccc(CCNC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000876528408 590209241 /nfs/dbraw/zinc/20/92/41/590209241.db2.gz XINXUHFQLSUIFC-ZDUSSCGKSA-N 1 0 245.326 0.975 20 10 BCCDRO CC[NH2+][C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000876527461 590209385 /nfs/dbraw/zinc/20/93/85/590209385.db2.gz GJKQBWGZGYGVRW-SNVBAGLBSA-N 1 0 235.331 0.926 20 10 BCCDRO CN(C(=O)C1=CC[C@@H]([NH3+])C1)c1cn[nH]c1 ZINC000876778358 590240118 /nfs/dbraw/zinc/24/01/18/590240118.db2.gz CFZBHLPASQMOBK-MRVPVSSYSA-N 1 0 206.249 0.420 20 10 BCCDRO CN(C(=O)CN1CC[NH2+]CC1)c1ccc(N)cc1 ZINC000877076434 590278884 /nfs/dbraw/zinc/27/88/84/590278884.db2.gz MONQAFXEQPYUOJ-UHFFFAOYSA-N 1 0 248.330 0.137 20 10 BCCDRO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1ccc(N)cc1 ZINC000877077625 590279092 /nfs/dbraw/zinc/27/90/92/590279092.db2.gz PCZLBOSHEMQHSR-GDNZZTSVSA-N 1 0 231.299 0.697 20 10 BCCDRO CN(C(=O)[C@]1(F)CC[NH2+]C1)c1ccc(N)cc1 ZINC000877079312 590279437 /nfs/dbraw/zinc/27/94/37/590279437.db2.gz XGSRMBCOKMPTID-LBPRGKRZSA-N 1 0 237.278 0.933 20 10 BCCDRO Oc1cc2c(cc1C[N@H+]1CC[C@@H](O)C1)OCO2 ZINC000126339025 590283053 /nfs/dbraw/zinc/28/30/53/590283053.db2.gz OWJLCKYLCAYSTQ-SECBINFHSA-N 1 0 237.255 0.688 20 10 BCCDRO Cc1ccc(C[NH2+]CC2(CO)COC2)c(O)c1 ZINC000877113256 590287101 /nfs/dbraw/zinc/28/71/01/590287101.db2.gz FSQPQGOGUDDACA-UHFFFAOYSA-N 1 0 237.299 0.799 20 10 BCCDRO O=C(C=C1CC[NH2+]CC1)N1CCn2nccc21 ZINC000877293620 590307586 /nfs/dbraw/zinc/30/75/86/590307586.db2.gz QPSDOUYIMBKOLZ-UHFFFAOYSA-N 1 0 232.287 0.540 20 10 BCCDRO COC[C@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877492077 590340370 /nfs/dbraw/zinc/34/03/70/590340370.db2.gz QLFCXWFBJAMRCB-NSHDSACASA-N 1 0 225.288 0.798 20 10 BCCDRO COC[C@@H](CO)[NH2+]Cc1ccc(C)cc1O ZINC000877492076 590340475 /nfs/dbraw/zinc/34/04/75/590340475.db2.gz QLFCXWFBJAMRCB-LLVKDONJSA-N 1 0 225.288 0.798 20 10 BCCDRO Cc1ccc(C[N@@H+]2CCOC[C@H](O)C2)c(O)c1 ZINC000877560655 590360159 /nfs/dbraw/zinc/36/01/59/590360159.db2.gz XKRDFJFWEMVOFO-GFCCVEGCSA-N 1 0 237.299 0.894 20 10 BCCDRO CO[C@@H]1C[N@H+](Cc2c(C)cccc2O)C[C@H]1O ZINC000877570743 590362423 /nfs/dbraw/zinc/36/24/23/590362423.db2.gz RLMMJHJZBXBWKA-CHWSQXEVSA-N 1 0 237.299 0.892 20 10 BCCDRO COC[C@@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883107737 591541092 /nfs/dbraw/zinc/54/10/92/591541092.db2.gz ISEUIEANKLKMQE-SECBINFHSA-N 1 0 241.287 0.498 20 10 BCCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccccc1O ZINC000134823997 591953236 /nfs/dbraw/zinc/95/32/36/591953236.db2.gz SSZFNQZJVFACKN-XRNSZHNASA-N 1 0 223.272 0.803 20 10 BCCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000135729312 592042385 /nfs/dbraw/zinc/04/23/85/592042385.db2.gz CRUIMHNQWWWCKV-SECBINFHSA-N 1 0 234.299 0.975 20 10 BCCDRO Oc1cccc2c1[C@H]([NH2+][C@H]1CNOC1)CC2 ZINC000925866531 635569642 /nfs/dbraw/zinc/56/96/42/635569642.db2.gz MAVRSFRZEIOBBT-VHSXEESVSA-N 1 0 220.272 0.873 20 10 BCCDRO O=C(NCc1ccccc1O)N[C@@H]1CC[NH2+]C1 ZINC000258340220 635117790 /nfs/dbraw/zinc/11/77/90/635117790.db2.gz ZDNHEQRKNVLNDH-SNVBAGLBSA-N 1 0 235.287 0.553 20 10 BCCDRO C[C@H](C[NH3+])C(=O)NCc1ccccc1O ZINC000162966491 635260078 /nfs/dbraw/zinc/26/00/78/635260078.db2.gz HLLLCCXQRREAEA-MRVPVSSYSA-N 1 0 208.261 0.603 20 10 BCCDRO CC[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000044291205 640176008 /nfs/dbraw/zinc/17/60/08/640176008.db2.gz DTDKGQQNTZLOJF-UHFFFAOYSA-N 1 0 235.331 0.978 20 10 BCCDRO [NH3+]C[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000165491027 640580933 /nfs/dbraw/zinc/58/09/33/640580933.db2.gz ASHYSCGYNFYPDP-LLVKDONJSA-N 1 0 222.288 0.552 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000169813110 640877504 /nfs/dbraw/zinc/87/75/04/640877504.db2.gz QQNOILXMRRKCMS-GFCCVEGCSA-N 1 0 233.315 0.680 20 10 BCCDRO CN(C)c1ccc(C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000191487749 641924403 /nfs/dbraw/zinc/92/44/03/641924403.db2.gz JQSOPEQSUJSXAZ-UHFFFAOYSA-N 1 0 233.315 0.860 20 10 BCCDRO C[C@@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccccc1O ZINC000089751449 642131314 /nfs/dbraw/zinc/13/13/14/642131314.db2.gz KVPDFJJVBRJDKX-PSASIEDQSA-N 1 0 248.282 0.848 20 10 BCCDRO C[C@H]([NH2+][C@H]1CCC(=O)NC1=O)c1ccccc1O ZINC000089751452 642132346 /nfs/dbraw/zinc/13/23/46/642132346.db2.gz KVPDFJJVBRJDKX-WPRPVWTQSA-N 1 0 248.282 0.848 20 10 BCCDRO CNC(=O)CC[NH2+]Cc1cc(C)ccc1O ZINC000070955567 643085748 /nfs/dbraw/zinc/08/57/48/643085748.db2.gz VKMBTGRQEIHFMZ-UHFFFAOYSA-N 1 0 222.288 0.926 20 10 BCCDRO C[NH2+]CC(=O)NCCCSc1nccs1 ZINC000237223500 643697961 /nfs/dbraw/zinc/69/79/61/643697961.db2.gz FEHGRHOWXMJBPF-UHFFFAOYSA-N 1 0 245.373 0.961 20 10 BCCDRO COc1cccc(CN(C)C2C[NH2+]C2)c1O ZINC000085257383 643705242 /nfs/dbraw/zinc/70/52/42/643705242.db2.gz IYRJYKJXHYPDHR-UHFFFAOYSA-N 1 0 222.288 0.804 20 10 BCCDRO O=C1NCC[C@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922237076 643913750 /nfs/dbraw/zinc/91/37/50/643913750.db2.gz NXNGNRBGWWLUKV-GFCCVEGCSA-N 1 0 246.310 0.990 20 10 BCCDRO CN1C[C@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000386308586 711028277 /nfs/dbraw/zinc/02/82/77/711028277.db2.gz GSAFAQAMXBJKAS-GFCCVEGCSA-N 1 0 246.310 0.942 20 10 BCCDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000398531147 711411791 /nfs/dbraw/zinc/41/17/91/711411791.db2.gz XOONWQQAGBVGPA-NSHDSACASA-N 1 0 234.299 0.960 20 10 BCCDRO C[C@@H]([NH2+][C@@H]1CCNC1=O)c1ccccc1O ZINC000381328645 710622503 /nfs/dbraw/zinc/62/25/03/710622503.db2.gz SCRLTYWXDCFJAL-PSASIEDQSA-N 1 0 220.272 0.931 20 10 BCCDRO O[C@@H]1COCC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000706726515 712153405 /nfs/dbraw/zinc/15/34/05/712153405.db2.gz CGVYIMRJEYVOHB-CHWSQXEVSA-N 1 0 249.310 0.861 20 10 BCCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1C ZINC000717394685 712654203 /nfs/dbraw/zinc/65/42/03/712654203.db2.gz KBTJENJQVLXIJW-ZYHUDNBSSA-N 1 0 239.315 0.835 20 10 BCCDRO Cc1cccc(C[N@@H+]2C[C@H](O)C[C@@H]2CO)c1O ZINC000359973371 179083718 /nfs/dbraw/zinc/08/37/18/179083718.db2.gz KTTRTRYTIRGQTG-VXGBXAGGSA-N 1 0 237.299 0.628 20 10 BCCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1cnn(C)c1 ZINC000638124395 351997419 /nfs/dbraw/zinc/99/74/19/351997419.db2.gz SXQAPTHKWMVJOS-VIFPVBQESA-N 1 0 220.276 0.430 20 10 BCCDRO [NH3+][C@H]1CC=C(C(=O)N2CCn3nccc32)C1 ZINC000639035193 353309201 /nfs/dbraw/zinc/30/92/01/353309201.db2.gz WBQOFBPRIRTDLJ-VIFPVBQESA-N 1 0 218.260 0.277 20 10 BCCDRO [O-]c1c(Cl)cccc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278388413 188381545 /nfs/dbraw/zinc/38/15/45/188381545.db2.gz MPFJBYLKYPBVTD-NXEZZACHSA-N 1 0 243.690 0.583 20 10 BCCDRO O=C(NCc1ccccc1O)[C@H]1CCC[NH2+]1 ZINC000163195002 182258511 /nfs/dbraw/zinc/25/85/11/182258511.db2.gz YUPGBOGHUOXSDP-SNVBAGLBSA-N 1 0 220.272 0.760 20 10 BCCDRO OC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1O ZINC000187665501 183128754 /nfs/dbraw/zinc/12/87/54/183128754.db2.gz KYEWFXUMHLTRNQ-QWRGUYRKSA-N 1 0 223.272 0.320 20 10 BCCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccccc1O ZINC000296029871 383917841 /nfs/dbraw/zinc/91/78/41/383917841.db2.gz SSZFNQZJVFACKN-HLUHBDAQSA-N 1 0 223.272 0.803 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1cc(C)ccc1O ZINC000070589982 384121180 /nfs/dbraw/zinc/12/11/80/384121180.db2.gz GABWKBVEVRQKOW-NSHDSACASA-N 1 0 225.288 0.798 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1cc(C)ccc1O ZINC000070589983 384122837 /nfs/dbraw/zinc/12/28/37/384122837.db2.gz GABWKBVEVRQKOW-LLVKDONJSA-N 1 0 225.288 0.798 20 10 BCCDRO COC[C@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296568730 384192047 /nfs/dbraw/zinc/19/20/47/384192047.db2.gz UXMNTZRHXUBYLI-QWRGUYRKSA-N 1 0 237.299 0.976 20 10 BCCDRO Cc1ccc(O)c(C[N@H+](CCO)CCCO)c1 ZINC000093324120 384228823 /nfs/dbraw/zinc/22/88/23/384228823.db2.gz ITJWGNDKRLJJQJ-UHFFFAOYSA-N 1 0 239.315 0.877 20 10 BCCDRO CN(C)C(=O)C[N@H+](C)Cc1ccccc1O ZINC000096477918 384462536 /nfs/dbraw/zinc/46/25/36/384462536.db2.gz KDXVAERPLLQDTE-UHFFFAOYSA-N 1 0 222.288 0.912 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1cccc(C)c1O ZINC000162865538 384699055 /nfs/dbraw/zinc/69/90/55/384699055.db2.gz OIJRTSBTFMWJBN-LLVKDONJSA-N 1 0 225.288 0.798 20 10 BCCDRO COc1ccc(C[NH2+]C[C@H](O)CO)cc1C ZINC000083353965 384762093 /nfs/dbraw/zinc/76/20/93/384762093.db2.gz HWHMSOBAHIIHCI-NSHDSACASA-N 1 0 225.288 0.446 20 10 BCCDRO Nc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000160460430 385646983 /nfs/dbraw/zinc/64/69/83/385646983.db2.gz YLHNEBDOQKPCKS-LLVKDONJSA-N 1 0 223.251 0.909 20 10 BCCDRO Cc1ccc(O)c(C[N@@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000271233794 385809502 /nfs/dbraw/zinc/80/95/02/385809502.db2.gz AJYWWPGTFHWFJD-NSHDSACASA-N 1 0 249.314 0.943 20 10 BCCDRO Cc1ccc(O)c(C[N@@H+](C)[C@@H]2COC[C@H]2O)c1 ZINC000289916994 386371570 /nfs/dbraw/zinc/37/15/70/386371570.db2.gz XKQWQQPQVFESIT-DGCLKSJQSA-N 1 0 237.299 0.892 20 10 BCCDRO CO[C@@H](C[NH3+])C(=O)N(C)Cc1ccccc1O ZINC000227368612 386479401 /nfs/dbraw/zinc/47/94/01/386479401.db2.gz ACIXRHQJFWDRKE-NSHDSACASA-N 1 0 238.287 0.324 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188182802 387255803 /nfs/dbraw/zinc/25/58/03/387255803.db2.gz XXKDEKDVCLFIDG-OIBJUYFYSA-N 1 0 223.251 0.907 20 10 BCCDRO COC[C@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296351735 388422728 /nfs/dbraw/zinc/42/27/28/388422728.db2.gz HOGJOCYCRLFWFJ-MNOVXSKESA-N 1 0 237.299 0.976 20 10 BCCDRO CN(C)C(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000226619496 172370613 /nfs/dbraw/zinc/37/06/13/172370613.db2.gz LHMMLZHAVZBVSR-UHFFFAOYSA-N 1 0 226.251 0.709 20 10 BCCDRO CN(C)c1ccc(CNC(=O)CC[NH3+])cc1F ZINC000237056630 172552220 /nfs/dbraw/zinc/55/22/20/172552220.db2.gz DEPPFYLMGPKWHU-UHFFFAOYSA-N 1 0 239.294 0.857 20 10 BCCDRO COc1ccc(O)c(C[NH2+]CC(=O)N(C)C)c1 ZINC000037225256 175158568 /nfs/dbraw/zinc/15/85/68/175158568.db2.gz ZSYXPXNGPIUNCD-UHFFFAOYSA-N 1 0 238.287 0.579 20 10 BCCDRO O=C1CC[C@@H](C[NH2+]Cc2ccccc2O)N1 ZINC000070627914 582599157 /nfs/dbraw/zinc/59/91/57/582599157.db2.gz SBBYDZDDOMQSNQ-JTQLQIEISA-N 1 0 220.272 0.760 20 10 BCCDRO Cc1cccc(C[NH2+]CCN2CCNC2=O)c1O ZINC000895814171 583733660 /nfs/dbraw/zinc/73/36/60/583733660.db2.gz LOTYXENZJWNHPQ-UHFFFAOYSA-N 1 0 249.314 0.815 20 10 BCCDRO Cc1cccc(O)c1C[NH2+]CCN1CCNC1=O ZINC000895814166 583734033 /nfs/dbraw/zinc/73/40/33/583734033.db2.gz LKXNGYMZXFIFLN-UHFFFAOYSA-N 1 0 249.314 0.815 20 10 BCCDRO Cc1cccc(C[NH2+][C@@H]2CNOC2)c1O ZINC000904425138 584880923 /nfs/dbraw/zinc/88/09/23/584880923.db2.gz ZNOFTVOTUIGYMY-SNVBAGLBSA-N 1 0 208.261 0.694 20 10 BCCDRO Oc1cc2c(cc1C[NH2+][C@H]1CNOC1)OCO2 ZINC000904426890 584881358 /nfs/dbraw/zinc/88/13/58/584881358.db2.gz JPFAUBFHHWKJSE-QMMMGPOBSA-N 1 0 238.243 0.114 20 10 BCCDRO CN(C)c1ccc(C[NH2+][C@H]2CNOC2)cc1F ZINC000904426511 584881557 /nfs/dbraw/zinc/88/15/57/584881557.db2.gz ADKLOJJBWUECKU-JTQLQIEISA-N 1 0 239.294 0.885 20 10 BCCDRO CN1CCO[C@H]2C[N@H+](Cc3ccccc3O)C[C@@H]21 ZINC000770506125 584979513 /nfs/dbraw/zinc/97/95/13/584979513.db2.gz TZZGMBRVMNFDTM-JSGCOSHPSA-N 1 0 248.326 0.907 20 10 BCCDRO C[C@@H](C[NH3+])N(C)Cc1cc2c(cc1O)OCO2 ZINC000843052533 585332966 /nfs/dbraw/zinc/33/29/66/585332966.db2.gz VMYHRCNXRDWHER-QMMMGPOBSA-N 1 0 238.287 0.900 20 10 BCCDRO COc1ccc(CNC(=O)C[NH+](C)C)c(O)c1 ZINC000794378387 586038967 /nfs/dbraw/zinc/03/89/67/586038967.db2.gz GAKGWSZOEFJZQW-UHFFFAOYSA-N 1 0 238.287 0.579 20 10 BCCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CC[C@H]1O)OCO2 ZINC000818231413 586880658 /nfs/dbraw/zinc/88/06/58/586880658.db2.gz QTUMIHXEMAWGLS-RKDXNWHRSA-N 1 0 237.255 0.734 20 10 BCCDRO Nc1ccc(CCNC(=O)C2([NH3+])CC2)cc1 ZINC000818545063 586899765 /nfs/dbraw/zinc/89/97/65/586899765.db2.gz DRTALPYVESISKK-UHFFFAOYSA-N 1 0 219.288 0.419 20 10 BCCDRO CC1(C(=O)NCCc2ccc(N)cc2)C[NH2+]C1 ZINC000818545315 586899785 /nfs/dbraw/zinc/89/97/85/586899785.db2.gz XCVTYNCCCYIVAH-UHFFFAOYSA-N 1 0 233.315 0.537 20 10 BCCDRO C[NH2+]CCC(=O)NCCc1ccc(N)cc1 ZINC000832659077 587674706 /nfs/dbraw/zinc/67/47/06/587674706.db2.gz KNUBWNMNYYCORP-UHFFFAOYSA-N 1 0 221.304 0.537 20 10 BCCDRO CC[C@@H]([NH3+])CNC(=O)Cc1ccc(N)cc1 ZINC000834825860 587768031 /nfs/dbraw/zinc/76/80/31/587768031.db2.gz HNWJANHGAVCDIZ-SNVBAGLBSA-N 1 0 221.304 0.665 20 10 BCCDRO CN(C(=O)Cc1ccc(N)cc1)C1CC([NH3+])C1 ZINC000834835213 587768122 /nfs/dbraw/zinc/76/81/22/587768122.db2.gz SPYMIKMSWADISE-UHFFFAOYSA-N 1 0 233.315 0.759 20 10 BCCDRO Cc1cc(O)c(C[NH2+]C[C@H](O)CO)c(Cl)c1 ZINC000840939055 587930873 /nfs/dbraw/zinc/93/08/73/587930873.db2.gz KDCUEFUTAVUXDV-QMMMGPOBSA-N 1 0 245.706 0.797 20 10 BCCDRO Oc1c(F)cccc1CN[C@@H]1CC[NH2+]C1 ZINC000841044394 587938949 /nfs/dbraw/zinc/93/89/49/587938949.db2.gz DWESFNBNFSDAMP-SECBINFHSA-N 1 0 210.252 0.983 20 10 BCCDRO COCCNCC[NH2+]Cc1ccccc1O ZINC000841049023 587939964 /nfs/dbraw/zinc/93/99/64/587939964.db2.gz XGRQGWVTIPPMJY-UHFFFAOYSA-N 1 0 224.304 0.718 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1CNCCO1 ZINC000841098080 587946596 /nfs/dbraw/zinc/94/65/96/587946596.db2.gz BQOUAHDOUVKDGV-LLVKDONJSA-N 1 0 240.278 0.609 20 10 BCCDRO CC[C@H]([NH3+])CNC(=O)NCc1ccccc1O ZINC000842003070 587988389 /nfs/dbraw/zinc/98/83/89/587988389.db2.gz IAPSZWZOMCSASC-JTQLQIEISA-N 1 0 237.303 0.929 20 10 BCCDRO Cc1cc(O)c(C[NH2+][C@H]2CCNC2=O)cc1C ZINC000850343467 588538130 /nfs/dbraw/zinc/53/81/30/588538130.db2.gz NUKCMRGNZGSKSW-NSHDSACASA-N 1 0 234.299 0.987 20 10 BCCDRO Nc1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852790929 588703077 /nfs/dbraw/zinc/70/30/77/588703077.db2.gz VXFNCDNYYLTFGO-MNOVXSKESA-N 1 0 235.287 0.571 20 10 BCCDRO Nc1ccc(CC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000852866368 588709402 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590278200 /nfs/dbraw/zinc/27/82/00/590278200.db2.gz LLVHLWCMZGUDAP-CYBMUJFWSA-N 1 0 249.314 0.610 20 10 BCCDRO C[C@H]([NH3+])CC(=O)N(C)c1ccc(N)cc1 ZINC000877074418 590278330 /nfs/dbraw/zinc/27/83/30/590278330.db2.gz JKRIPSBVOLCNIC-QMMMGPOBSA-N 1 0 207.277 0.969 20 10 BCCDRO CN(C(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1ccc(N)cc1 ZINC000877074467 590278381 /nfs/dbraw/zinc/27/83/81/590278381.db2.gz LHAOILNJZDMGBH-VXGBXAGGSA-N 1 0 249.314 0.595 20 10 BCCDRO CN(C(=O)C[NH2+]C1CC1)c1ccc(N)cc1 ZINC000877077326 590278634 /nfs/dbraw/zinc/27/86/34/590278634.db2.gz DALQNXNDGREBAQ-UHFFFAOYSA-N 1 0 219.288 0.984 20 10 BCCDRO CN(C(=O)C[C@@H]1COCC[NH2+]1)c1ccc(N)cc1 ZINC000877077441 590278919 /nfs/dbraw/zinc/27/89/19/590278919.db2.gz IGSAKZSTEXEAJH-LLVKDONJSA-N 1 0 249.314 0.610 20 10 BCCDRO CC[C@@H]([NH3+])C(=O)N(C)c1ccc(N)cc1 ZINC000877077946 590279152 /nfs/dbraw/zinc/27/91/52/590279152.db2.gz WXZYGKBIICZLRR-SNVBAGLBSA-N 1 0 207.277 0.969 20 10 BCCDRO Cc1cccc(O)c1C[NH2+]C[C@]1(O)CCOC1 ZINC000877118332 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/nfs/dbraw/zinc/26/98/25/586269825.db2.gz IIAQDFXNYVGACL-VIFPVBQESA-N 1 0 241.287 0.498 20 10 BCCDRO C[C@@H](C[NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000818545187 586899751 /nfs/dbraw/zinc/89/97/51/586899751.db2.gz NIXYXHBXAKONLW-VIFPVBQESA-N 1 0 221.304 0.522 20 10 BCCDRO CO[C@@H](C[NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000832244795 587652096 /nfs/dbraw/zinc/65/20/96/587652096.db2.gz WPHJGUJIEFKAFS-SNVBAGLBSA-N 1 0 223.276 0.571 20 10 BCCDRO Nc1ccc(CC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000832554136 587666028 /nfs/dbraw/zinc/66/60/28/587666028.db2.gz GISAGWIRGLLAAQ-NSHDSACASA-N 1 0 233.315 0.619 20 10 BCCDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000834822945 587767798 /nfs/dbraw/zinc/76/77/98/587767798.db2.gz ZYHSQENWIYFXEY-RKDXNWHRSA-N 1 0 221.304 0.663 20 10 BCCDRO COc1cccc(O)c1CN[C@H]1CC[NH2+]C1 ZINC000841044272 587939209 /nfs/dbraw/zinc/93/92/09/587939209.db2.gz BWIBJIOTVFNXGI-VIFPVBQESA-N 1 0 222.288 0.852 20 10 BCCDRO C[N@@H+](Cc1cccc(Cl)c1[O-])C[C@H](O)C[NH3+] ZINC000841094562 587946398 /nfs/dbraw/zinc/94/63/98/587946398.db2.gz YUHCNUUYOXDXJZ-SECBINFHSA-N 1 0 244.722 0.797 20 10 BCCDRO CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1O ZINC000842003071 587988691 /nfs/dbraw/zinc/98/86/91/587988691.db2.gz IAPSZWZOMCSASC-SNVBAGLBSA-N 1 0 237.303 0.929 20 10 BCCDRO [NH3+][C@H]1CCN(Cc2cc3c(cc2O)OCO3)C1 ZINC000843047051 588076374 /nfs/dbraw/zinc/07/63/74/588076374.db2.gz MHPIYLMAOFEXBQ-VIFPVBQESA-N 1 0 236.271 0.654 20 10 BCCDRO C[NH2+]CCN(C)Cc1cc2c(cc1O)OCO2 ZINC000843057924 588077881 /nfs/dbraw/zinc/07/78/81/588077881.db2.gz YXKLOGDJLSDEPP-UHFFFAOYSA-N 1 0 238.287 0.772 20 10 BCCDRO COc1cccc(CNC2=[NH+]C[C@@H](C)N2)c1O ZINC000849002874 588431104 /nfs/dbraw/zinc/43/11/04/588431104.db2.gz WTRSAJLTTBTFOA-MRVPVSSYSA-N 1 0 235.287 0.838 20 10 BCCDRO Nc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852790259 588702796 /nfs/dbraw/zinc/70/27/96/588702796.db2.gz NBSDUGLXJWEIMH-VIFPVBQESA-N 1 0 234.259 0.311 20 10 BCCDRO Nc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852790926 588702894 /nfs/dbraw/zinc/70/28/94/588702894.db2.gz VXFNCDNYYLTFGO-GHMZBOCLSA-N 1 0 235.287 0.571 20 10 BCCDRO [NH3+]C[C@H]1CC(C(=O)NCc2ccccc2O)=NO1 ZINC000852883808 588711287 /nfs/dbraw/zinc/71/12/87/588711287.db2.gz OFXUIHYXVJTENX-SECBINFHSA-N 1 0 249.270 0.112 20 10 BCCDRO COC[C@@H]([NH3+])Cc1cn(-c2ccc(N)cc2)nn1 ZINC000864619609 589383955 /nfs/dbraw/zinc/38/39/55/589383955.db2.gz GTICHBUJDHSHCD-JTQLQIEISA-N 1 0 247.302 0.366 20 10 BCCDRO C[C@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1O ZINC000870988570 589707003 /nfs/dbraw/zinc/70/70/03/589707003.db2.gz SSVAPLJSXWUMQW-SFGNSQDASA-N 1 0 220.272 0.917 20 10 BCCDRO Cc1ccc(C[N@H+](CCO)CCCO)c(O)c1 ZINC000876724043 590233711 /nfs/dbraw/zinc/23/37/11/590233711.db2.gz MBGSGBZAORKVQC-UHFFFAOYSA-N 1 0 239.315 0.877 20 10 BCCDRO CN(C(=O)C1=CC[C@H]([NH3+])C1)c1cn[nH]c1 ZINC000876778359 590240391 /nfs/dbraw/zinc/24/03/91/590240391.db2.gz CFZBHLPASQMOBK-QMMMGPOBSA-N 1 0 206.249 0.420 20 10 BCCDRO CN(C(=O)COC1(C)C[NH2+]C1)c1ccc(N)cc1 ZINC000877077432 590278786 /nfs/dbraw/zinc/27/87/86/590278786.db2.gz IABUBSSDGZCEGN-UHFFFAOYSA-N 1 0 249.314 0.610 20 10 BCCDRO C[C@H](CNC(=O)c1cccc(O)c1O)[NH+](C)C ZINC000126364044 590293538 /nfs/dbraw/zinc/29/35/38/590293538.db2.gz MAYQVGNHEVOEFY-MRVPVSSYSA-N 1 0 238.287 0.778 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC000877505352 590342530 /nfs/dbraw/zinc/34/25/30/590342530.db2.gz RZNAGKVLLDLDTB-LLVKDONJSA-N 1 0 225.288 0.798 20 10 BCCDRO Cc1ccc(C[N@@H+]2CCOC[C@@H](O)C2)c(O)c1 ZINC000877560656 590360132 /nfs/dbraw/zinc/36/01/32/590360132.db2.gz XKRDFJFWEMVOFO-LBPRGKRZSA-N 1 0 237.299 0.894 20 10 BCCDRO Cc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000134223148 591903789 /nfs/dbraw/zinc/90/37/89/591903789.db2.gz NFMBZYRPTZMPGW-PWSUYJOCSA-N 1 0 223.272 0.550 20 10 BCCDRO CN1CCN(Cc2ccccc2O)[C@@H](C[NH3+])C1 ZINC000226617179 635436406 /nfs/dbraw/zinc/43/64/06/635436406.db2.gz KFANVXUSTAIXQL-LBPRGKRZSA-N 1 0 235.331 0.467 20 10 BCCDRO Cc1cc(O)c(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1C ZINC000278453345 632626184 /nfs/dbraw/zinc/62/61/84/632626184.db2.gz YGIXYZALZBEYIJ-STQMWFEESA-N 1 0 237.299 0.546 20 10 BCCDRO C[C@@H](C(=O)NCc1ccccc1O)[C@H](C)[NH3+] ZINC000162967615 635269775 /nfs/dbraw/zinc/26/97/75/635269775.db2.gz GKILEMWBSWABMW-BDAKNGLRSA-N 1 0 222.288 0.992 20 10 BCCDRO [NH3+]C1(CNCc2cc3c(cc2O)OCO3)CC1 ZINC000904451639 637416386 /nfs/dbraw/zinc/41/63/86/637416386.db2.gz XQKPEYJMOMNCIU-UHFFFAOYSA-N 1 0 236.271 0.702 20 10 BCCDRO Nc1ccc(CC(=O)N2CC[NH2+]CC2)cc1 ZINC000035728225 639875138 /nfs/dbraw/zinc/87/51/38/639875138.db2.gz YSZVOWQYIOIUAS-UHFFFAOYSA-N 1 0 219.288 0.243 20 10 BCCDRO C[C@@H](C(N)=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000062801597 641092355 /nfs/dbraw/zinc/09/23/55/641092355.db2.gz XSKTWIDIZUREAE-VIFPVBQESA-N 1 0 233.315 0.772 20 10 BCCDRO CO[C@H](C[NH3+])CC(=O)NCc1ccccc1O ZINC000232125924 641243955 /nfs/dbraw/zinc/24/39/55/641243955.db2.gz RBUYQXGZVUZWAX-JTQLQIEISA-N 1 0 238.287 0.372 20 10 BCCDRO Cc1cccc(C[NH2+][C@H](C)C(N)=O)c1O ZINC000152638147 641624153 /nfs/dbraw/zinc/62/41/53/641624153.db2.gz PIBQUKMAXNVXBQ-MRVPVSSYSA-N 1 0 208.261 0.664 20 10 BCCDRO NC(=O)C1([NH2+]Cc2cc(F)ccc2O)CC1 ZINC000191481176 641923321 /nfs/dbraw/zinc/92/33/21/641923321.db2.gz NKRTXEKTVLKJFT-UHFFFAOYSA-N 1 0 224.235 0.639 20 10 BCCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@H](CO)O1 ZINC000191532171 641927875 /nfs/dbraw/zinc/92/78/75/641927875.db2.gz FTGKVFQEMZNNLT-ZYHUDNBSSA-N 1 0 237.299 0.974 20 10 BCCDRO C[C@H]([NH2+][C@@H]1CCC(=O)NC1=O)c1ccccc1O ZINC000089751447 642131650 /nfs/dbraw/zinc/13/16/50/642131650.db2.gz KVPDFJJVBRJDKX-WCBMZHEXSA-N 1 0 248.282 0.848 20 10 BCCDRO COC[C@](C)(O)C[NH2+]Cc1ccccc1O ZINC000069912943 642935461 /nfs/dbraw/zinc/93/54/61/642935461.db2.gz IUFVGKGDTITLSO-GFCCVEGCSA-N 1 0 225.288 0.879 20 10 BCCDRO COc1cc(O)c(C[N@H+](C)CCO)cc1OC ZINC000183458834 643130993 /nfs/dbraw/zinc/13/09/93/643130993.db2.gz KTCIUOFKIAGWIQ-UHFFFAOYSA-N 1 0 241.287 0.834 20 10 BCCDRO COc1ccc(O)c([C@H](C)[NH2+]C[C@H](O)CO)c1 ZINC000090282803 643131251 /nfs/dbraw/zinc/13/12/51/643131251.db2.gz NFKXNRKCQDRJDQ-IUCAKERBSA-N 1 0 241.287 0.405 20 10 BCCDRO COc1ccc(CNC(=O)CC[NH3+])c(O)c1 ZINC000083353198 644404376 /nfs/dbraw/zinc/40/43/76/644404376.db2.gz BEZDEXVIZAAONX-UHFFFAOYSA-N 1 0 224.260 0.366 20 10 BCCDRO C[C@H]([NH2+]CCc1nnnn1C)c1ccccc1O ZINC000783520469 644755794 /nfs/dbraw/zinc/75/57/94/644755794.db2.gz QLVOHOGXDSCGMW-VIFPVBQESA-N 1 0 247.302 0.809 20 10 BCCDRO C[C@@H]([NH2+]CCc1nnnn1C)c1ccccc1O ZINC000783520468 644756173 /nfs/dbraw/zinc/75/61/73/644756173.db2.gz QLVOHOGXDSCGMW-SECBINFHSA-N 1 0 247.302 0.809 20 10 BCCDRO c1cc(CN[C@H]2C[NH2+]CCOC2)cc2c1OCC2 ZINC000925560020 646335897 /nfs/dbraw/zinc/33/58/97/646335897.db2.gz VVZMUDVHNIZCGB-ZDUSSCGKSA-N 1 0 248.326 0.700 20 10 BCCDRO Cn1cc(CNCc2cc(F)ccc2O)nn1 ZINC000389837506 711091477 /nfs/dbraw/zinc/09/14/77/711091477.db2.gz QRVYHKAWMMYNRP-UHFFFAOYSA-N 1 0 236.250 0.950 20 10 BCCDRO OC[C@]1([NH2+]Cc2ccccc2O)CCOC1 ZINC000184192194 711901080 /nfs/dbraw/zinc/90/10/80/711901080.db2.gz FQBWDCIHBRNATH-GFCCVEGCSA-N 1 0 223.272 0.633 20 10 BCCDRO Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2O)c1O ZINC000706720925 712153205 /nfs/dbraw/zinc/15/32/05/712153205.db2.gz BZZWSXQSCZTJLJ-VXGBXAGGSA-N 1 0 237.299 0.940 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1ccccc1O ZINC000036780334 712494806 /nfs/dbraw/zinc/49/48/06/712494806.db2.gz DQZBXBWBJQWMQL-UHFFFAOYSA-N 1 0 208.261 0.618 20 10 BCCDRO COc1ccc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1C ZINC000717394676 712654132 /nfs/dbraw/zinc/65/41/32/712654132.db2.gz KBTJENJQVLXIJW-CMPLNLGQSA-N 1 0 239.315 0.835 20 10 BCCDRO COc1ccc(C[NH2+]C[C@H](O)[C@H](C)O)cc1C ZINC000717394680 712654170 /nfs/dbraw/zinc/65/41/70/712654170.db2.gz KBTJENJQVLXIJW-JQWIXIFHSA-N 1 0 239.315 0.835 20 10 BCCDRO CCOc1cccc(C[NH2+]CC(=O)NC)c1O ZINC000037224842 343340557 /nfs/dbraw/zinc/34/05/57/343340557.db2.gz WLQGVLMUSOYGSG-UHFFFAOYSA-N 1 0 238.287 0.627 20 10 BCCDRO OCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879546 343456466 /nfs/dbraw/zinc/45/64/66/343456466.db2.gz CCWFVLPQHVDYLP-UHFFFAOYSA-N 1 0 225.244 0.593 20 10 BCCDRO Cc1cccc(C[NH2+][C@@]2(CO)CCOC2)c1O ZINC000184191553 179100076 /nfs/dbraw/zinc/10/00/76/179100076.db2.gz UJNJAWWTUNRHGM-CYBMUJFWSA-N 1 0 237.299 0.942 20 10 BCCDRO OC[C@@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000184190185 183134318 /nfs/dbraw/zinc/13/43/18/183134318.db2.gz RHGIYMLCPNNMHG-AWEZNQCLSA-N 1 0 249.310 0.863 20 10 BCCDRO Oc1ccccc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000126186250 183304020 /nfs/dbraw/zinc/30/40/20/183304020.db2.gz WJFPPAUFABZUPQ-LBPRGKRZSA-N 1 0 223.272 0.633 20 10 BCCDRO CCS(=O)(=O)CC[NH2+]Cc1ccccc1O ZINC000069172925 384032620 /nfs/dbraw/zinc/03/26/20/384032620.db2.gz AEYFHQCCGDURIQ-UHFFFAOYSA-N 1 0 243.328 0.917 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000071266769 384158852 /nfs/dbraw/zinc/15/88/52/384158852.db2.gz ZZPCDWVFMSZUDS-GFCCVEGCSA-N 1 0 237.299 0.718 20 10 BCCDRO C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1O ZINC000078640346 384454196 /nfs/dbraw/zinc/45/41/96/384454196.db2.gz VHYJXWNORSAZIT-SECBINFHSA-N 1 0 243.328 0.915 20 10 BCCDRO C[NH+](C)CCNC(=O)c1cccc(O)c1O ZINC000163267275 384782410 /nfs/dbraw/zinc/78/24/10/384782410.db2.gz XUKPHTMDSGELJC-UHFFFAOYSA-N 1 0 224.260 0.389 20 10 BCCDRO COC[C@H](O)CC[NH2+]Cc1ccccc1O ZINC000127497065 384905456 /nfs/dbraw/zinc/90/54/56/384905456.db2.gz IMFPKADOCKJSKC-LLVKDONJSA-N 1 0 225.288 0.879 20 10 BCCDRO COC[C@H](CO)[NH2+]Cc1cccc(C)c1O ZINC000234794685 386101948 /nfs/dbraw/zinc/10/19/48/386101948.db2.gz DCTQHWBWQZPYQN-NSHDSACASA-N 1 0 225.288 0.798 20 10 BCCDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(F)ccc1O ZINC000295877886 388414407 /nfs/dbraw/zinc/41/44/07/388414407.db2.gz GSWIYNQCOMOINU-HNBZJPLGSA-N 1 0 241.262 0.942 20 10 BCCDRO C[N@@H+]1CC[C@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000037645564 173145096 /nfs/dbraw/zinc/14/50/96/173145096.db2.gz KRDHMTKORBNSPL-GFCCVEGCSA-N 1 0 247.342 0.879 20 10 BCCDRO CN1C[C@H]([NH2+]Cc2ccccc2O)CC1=O ZINC000263789078 173194704 /nfs/dbraw/zinc/19/47/04/173194704.db2.gz XFGTYMHPLGRCNT-SNVBAGLBSA-N 1 0 220.272 0.713 20 10 BCCDRO CNC(=O)C1C[NH+](Cc2ccccc2O)C1 ZINC000297374159 173227477 /nfs/dbraw/zinc/22/74/77/173227477.db2.gz IVBZEFYKYKCPDF-UHFFFAOYSA-N 1 0 220.272 0.570 20 10 BCCDRO COc1cccc(C[NH2+][C@H](C)CO)c1O ZINC000035603271 175267880 /nfs/dbraw/zinc/26/78/80/175267880.db2.gz WQPJRCOLHZMQHJ-MRVPVSSYSA-N 1 0 211.261 0.871 20 10 BCCDRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(N)cc1 ZINC000125276990 176325921 /nfs/dbraw/zinc/32/59/21/176325921.db2.gz VBCQZOSAHSICAK-SNVBAGLBSA-N 1 0 233.315 0.632 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+]C[C@H]1COCCN1 ZINC000530182264 323205722 /nfs/dbraw/zinc/20/57/22/323205722.db2.gz TUKUHFGNMZBFGJ-NSHDSACASA-N 1 0 240.278 0.609 20 10 BCCDRO Cc1cccc(C[NH2+]C[C@H]2COCCN2)c1O ZINC000530182226 323205807 /nfs/dbraw/zinc/20/58/07/323205807.db2.gz SALDHLWVRMCDLX-LBPRGKRZSA-N 1 0 236.315 0.779 20 10 BCCDRO [NH3+]CCNC(=O)N1Cc2cccc(O)c2C1 ZINC000891975597 582751806 /nfs/dbraw/zinc/75/18/06/582751806.db2.gz DBQRJCXRLAPXCS-UHFFFAOYSA-N 1 0 221.260 0.376 20 10 BCCDRO COc1cccc(O)c1C[NH2+]C[C@H]1COCO1 ZINC000894873273 583540378 /nfs/dbraw/zinc/54/03/78/583540378.db2.gz PYSCDFKTDIIHMU-VIFPVBQESA-N 1 0 239.271 0.863 20 10 BCCDRO Cc1cccc(C[NH+](CCO)CCO)c1O ZINC000204923534 584012735 /nfs/dbraw/zinc/01/27/35/584012735.db2.gz MGRHUOYGZLXGDD-UHFFFAOYSA-N 1 0 225.288 0.487 20 10 BCCDRO Oc1ccc(F)cc1CN[C@@H]1CC[NH2+]C1 ZINC000841045263 584122201 /nfs/dbraw/zinc/12/22/01/584122201.db2.gz QSUCPQONSYNELN-SNVBAGLBSA-N 1 0 210.252 0.983 20 10 BCCDRO NC(=O)c1c[nH+]ccc1NCc1ccccc1O ZINC000762793617 585437348 /nfs/dbraw/zinc/43/73/48/585437348.db2.gz IMVMCBKJKPAORB-UHFFFAOYSA-N 1 0 243.266 0.920 20 10 BCCDRO Oc1cccc2c1[C@@H](NC1C[NH2+]C1)CC2 ZINC000817955437 586849781 /nfs/dbraw/zinc/84/97/81/586849781.db2.gz ASZRXMOMLWCZGE-JTQLQIEISA-N 1 0 204.273 0.941 20 10 BCCDRO COC[C@@]1(C(=O)Nc2ccc(N)cc2)CC[NH2+]C1 ZINC000818556393 586900588 /nfs/dbraw/zinc/90/05/88/586900588.db2.gz QYCNFJVYZWSONL-CYBMUJFWSA-N 1 0 249.314 0.833 20 10 BCCDRO C[C@H](C(=O)NCc1ccccc1O)[NH+](C)C ZINC000821054979 587091533 /nfs/dbraw/zinc/09/15/33/587091533.db2.gz FTZMZVIOZASTIO-SECBINFHSA-N 1 0 222.288 0.959 20 10 BCCDRO C[NH2+]C[C@@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000832643625 587672758 /nfs/dbraw/zinc/67/27/58/587672758.db2.gz BUMVYSXMIMKWCH-LBPRGKRZSA-N 1 0 247.342 0.879 20 10 BCCDRO Nc1ccc(CCNC(=O)C2([NH3+])CCC2)cc1 ZINC000832653320 587673686 /nfs/dbraw/zinc/67/36/86/587673686.db2.gz WVDVDNGHQACDNS-UHFFFAOYSA-N 1 0 233.315 0.809 20 10 BCCDRO C[C@H](O)[C@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000840979917 587932993 /nfs/dbraw/zinc/93/29/93/587932993.db2.gz VOWLEZLGAKJMLP-GXFFZTMASA-N 1 0 237.299 0.974 20 10 BCCDRO C[NH2+]CCNCc1cc2c(cc1O)OCO2 ZINC000841036746 587937623 /nfs/dbraw/zinc/93/76/23/587937623.db2.gz TXGMPEOOKUSIEF-UHFFFAOYSA-N 1 0 224.260 0.430 20 10 BCCDRO C[C@@H](C[NH3+])NCc1ccc(N2CCOCC2)cc1 ZINC000841063849 587941348 /nfs/dbraw/zinc/94/13/48/587941348.db2.gz QSKGTBXYHMLOKW-LBPRGKRZSA-N 1 0 249.358 0.960 20 10 BCCDRO C[C@H](C[NH3+])NCc1cc2c(cc1O)OCO2 ZINC000841059950 587942076 /nfs/dbraw/zinc/94/20/76/587942076.db2.gz NTLMTFZCHGNHDR-SSDOTTSWSA-N 1 0 224.260 0.558 20 10 BCCDRO COc1ccc(O)c(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000841079048 587944544 /nfs/dbraw/zinc/94/45/44/587944544.db2.gz WIEWSBXNFFDDRC-PJXYFTJBSA-N 1 0 234.299 0.708 20 10 BCCDRO C[C@@H]([NH3+])[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000841082132 587944896 /nfs/dbraw/zinc/94/48/96/587944896.db2.gz WGFOTMJUGVSBEV-SFYZADRCSA-N 1 0 238.287 0.946 20 10 BCCDRO C[C@H](CC[NH3+])NC(=O)NCc1ccccc1O ZINC000841966877 587987098 /nfs/dbraw/zinc/98/70/98/587987098.db2.gz HIECQVIBDCYOEQ-SECBINFHSA-N 1 0 237.303 0.929 20 10 BCCDRO C[C@@H](CC[NH3+])NC(=O)NCc1ccccc1O ZINC000841966878 587987175 /nfs/dbraw/zinc/98/71/75/587987175.db2.gz HIECQVIBDCYOEQ-VIFPVBQESA-N 1 0 237.303 0.929 20 10 BCCDRO Nc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000843291840 588097638 /nfs/dbraw/zinc/09/76/38/588097638.db2.gz BXSGQINVXLDLJI-ONOSFVFSSA-N 1 0 217.272 0.958 20 10 BCCDRO CC(C)(C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000843336968 588100470 /nfs/dbraw/zinc/10/04/70/588100470.db2.gz QHUCMTLMTYCKKA-UHFFFAOYSA-N 1 0 221.304 0.665 20 10 BCCDRO O=C(NCc1ccccc1O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843488984 588114739 /nfs/dbraw/zinc/11/47/39/588114739.db2.gz ZYIQKYYECLLDGT-MXWKQRLJSA-N 1 0 232.283 0.759 20 10 BCCDRO CC(C)[NH2+]CC(=O)NCCc1ccc(N)cc1 ZINC000851632231 588612039 /nfs/dbraw/zinc/61/20/39/588612039.db2.gz OCHORDIIYUCUOL-UHFFFAOYSA-N 1 0 235.331 0.926 20 10 BCCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CNC(=O)C1 ZINC000851841913 588634246 /nfs/dbraw/zinc/63/42/46/588634246.db2.gz ZUCSMVNCCJRVGW-JTQLQIEISA-N 1 0 234.299 0.960 20 10 BCCDRO O=C(C=C1CC[NH2+]CC1)N1CCCn2nccc21 ZINC000852883063 588711301 /nfs/dbraw/zinc/71/13/01/588711301.db2.gz FPMZGMWKUHOVRE-UHFFFAOYSA-N 1 0 246.314 0.930 20 10 BCCDRO Nc1ccc(CCNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000861641884 589172214 /nfs/dbraw/zinc/17/22/14/589172214.db2.gz XZCIUKUXRXAUJT-GFCCVEGCSA-N 1 0 248.330 0.472 20 10 BCCDRO COc1cccc(C[NH+](CCO)CCO)c1O ZINC000862430305 589212610 /nfs/dbraw/zinc/21/26/10/589212610.db2.gz UQLWPVZYXISGEO-UHFFFAOYSA-N 1 0 241.287 0.187 20 10 BCCDRO [NH3+]CCCOCC[NH2+]Cc1cccc(F)c1[O-] ZINC000863485168 589293146 /nfs/dbraw/zinc/29/31/46/589293146.db2.gz VSLNQKDFRUGISB-UHFFFAOYSA-N 1 0 242.294 0.986 20 10 BCCDRO Nc1ccc(OCc2cn(CCC[NH3+])nn2)cc1 ZINC000864621618 589384402 /nfs/dbraw/zinc/38/44/02/589384402.db2.gz SDHASVHWBZEJTJ-UHFFFAOYSA-N 1 0 247.302 0.788 20 10 BCCDRO C[C@H]([NH3+])Cn1cc(COc2ccc(N)cc2)nn1 ZINC000864630885 589385731 /nfs/dbraw/zinc/38/57/31/589385731.db2.gz RBLGDAXRBWDGFB-VIFPVBQESA-N 1 0 247.302 0.787 20 10 BCCDRO Oc1cccc2c1[C@@H]([NH2+][C@H]1COC[C@H]1O)CC2 ZINC000866419445 589491950 /nfs/dbraw/zinc/49/19/50/589491950.db2.gz CROSTDGPPBKYQL-JBLDHEPKSA-N 1 0 235.283 0.729 20 10 BCCDRO C[C@@H](NC(=O)COCC[NH3+])c1ccccc1O ZINC000870988320 589706817 /nfs/dbraw/zinc/70/68/17/589706817.db2.gz MNNODQGZXYTMFG-SECBINFHSA-N 1 0 238.287 0.545 20 10 BCCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CNCCO1 ZINC000125484784 590166452 /nfs/dbraw/zinc/16/64/52/590166452.db2.gz WWGAHZWWCZIAJM-GFCCVEGCSA-N 1 0 236.315 0.812 20 10 BCCDRO Nc1ccc(CCNC(=O)CCC2C[NH2+]C2)cc1 ZINC000876527867 590209000 /nfs/dbraw/zinc/20/90/00/590209000.db2.gz GHAKOBHPKJNXLR-UHFFFAOYSA-N 1 0 247.342 0.927 20 10 BCCDRO CN(C(=O)/C=C\[C@@H]1CCC[NH2+]C1)c1cn[nH]c1 ZINC000876779296 590240516 /nfs/dbraw/zinc/24/05/16/590240516.db2.gz ZUNTUHVAJQDFTF-LWTINBJPSA-N 1 0 234.303 0.928 20 10 BCCDRO CN(C(=O)[C@H]1CCO[C@@H]1C[NH3+])c1ccc(N)cc1 ZINC000877074465 590278372 /nfs/dbraw/zinc/27/83/72/590278372.db2.gz LHAOILNJZDMGBH-NWDGAFQWSA-N 1 0 249.314 0.595 20 10 BCCDRO CN(C(=O)[C@@H](N)C[NH+](C)C)c1ccc(N)cc1 ZINC000877077165 590278904 /nfs/dbraw/zinc/27/89/04/590278904.db2.gz YHSILQVCGZNZPZ-NSHDSACASA-N 1 0 236.319 0.121 20 10 BCCDRO CN(C)c1ccc(CN2CCO[C@@H](C[NH3+])C2)cc1 ZINC000026472294 591505233 /nfs/dbraw/zinc/50/52/33/591505233.db2.gz GQGHEJTXFALWOH-AWEZNQCLSA-N 1 0 249.358 0.912 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2CSCN2)cc1 ZINC000131530912 591618105 /nfs/dbraw/zinc/61/81/05/591618105.db2.gz NTOLDFCPESPEBQ-SECBINFHSA-N 1 0 223.301 0.870 20 10 BCCDRO CNC(=O)C[N@H+](C)Cc1cc(C)ccc1O ZINC000132592683 591722282 /nfs/dbraw/zinc/72/22/82/591722282.db2.gz FMNXDCSYHPEIPF-UHFFFAOYSA-N 1 0 222.288 0.878 20 10 BCCDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000132619165 591724897 /nfs/dbraw/zinc/72/48/97/591724897.db2.gz ZPYPLVJVYUBNJH-ZWNOBZJWSA-N 1 0 236.315 0.940 20 10 BCCDRO C[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000078072922 631336697 /nfs/dbraw/zinc/33/66/97/631336697.db2.gz AGZHDXBWFLKEFA-QMMMGPOBSA-N 1 0 207.277 0.275 20 10 BCCDRO C[NH2+]C[C@H](C)C(=O)NCc1ccccc1O ZINC000162970928 633042235 /nfs/dbraw/zinc/04/22/35/633042235.db2.gz IMIDSBFTTLTWRV-VIFPVBQESA-N 1 0 222.288 0.864 20 10 BCCDRO COc1ccc(C[NH2+][C@@H](C)CO)c(O)c1OC ZINC000893095847 633830364 /nfs/dbraw/zinc/83/03/64/633830364.db2.gz VMVKCXVAQASGGQ-QMMMGPOBSA-N 1 0 241.287 0.880 20 10 BCCDRO Nc1ccc(NC(=O)C23CC(C2)C[NH2+]3)cc1 ZINC000911661240 639692301 /nfs/dbraw/zinc/69/23/01/639692301.db2.gz RRIWJPUMLCZMGR-UHFFFAOYSA-N 1 0 217.272 0.959 20 10 BCCDRO CCOc1cccc(C[NH2+][C@H](C)C(N)=O)c1O ZINC000035793589 639948135 /nfs/dbraw/zinc/94/81/35/639948135.db2.gz DQYWZRCQKJSBOK-MRVPVSSYSA-N 1 0 238.287 0.754 20 10 BCCDRO [NH3+]C[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000165491140 640580765 /nfs/dbraw/zinc/58/07/65/640580765.db2.gz ASHYSCGYNFYPDP-NSHDSACASA-N 1 0 222.288 0.552 20 10 BCCDRO Nc1ccc(CCNC(=O)CCC[NH3+])cc1 ZINC000169810889 640877912 /nfs/dbraw/zinc/87/79/12/640877912.db2.gz PFWXXPAUYXOHGB-UHFFFAOYSA-N 1 0 221.304 0.666 20 10 BCCDRO CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1O ZINC000232125922 641245026 /nfs/dbraw/zinc/24/50/26/641245026.db2.gz RBUYQXGZVUZWAX-SNVBAGLBSA-N 1 0 238.287 0.372 20 10 BCCDRO C[C@H]([NH2+]C[C@@H](O)CO)c1ccccc1O ZINC000085246040 643697436 /nfs/dbraw/zinc/69/74/36/643697436.db2.gz YYKTVORTIFKDIU-DTWKUNHWSA-N 1 0 211.261 0.396 20 10 BCCDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccccc1O ZINC000922974116 644210199 /nfs/dbraw/zinc/21/01/99/644210199.db2.gz UWYOSZQZNLCVBT-ZDUSSCGKSA-N 1 0 247.298 0.949 20 10 BCCDRO Oc1ccccc1CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848925634 645445989 /nfs/dbraw/zinc/44/59/89/645445989.db2.gz AQGPXOWKKYLUJV-QWHCGFSZSA-N 1 0 248.326 0.643 20 10 BCCDRO C[C@H](CC(N)=O)[NH2+]Cc1ccccc1O ZINC000129341025 645839163 /nfs/dbraw/zinc/83/91/63/645839163.db2.gz ZJHQPOQWASEWDL-MRVPVSSYSA-N 1 0 208.261 0.746 20 10 BCCDRO C[N@@H+](Cc1ccccc1O)C[C@@H](O)CO ZINC000929975939 646383227 /nfs/dbraw/zinc/38/32/27/646383227.db2.gz KNVWYHCJZRNMDM-SNVBAGLBSA-N 1 0 211.261 0.177 20 10 BCCDRO C[C@@H]([NH2+][C@@H]1CNOC1)c1ccccc1O ZINC000925863031 646515843 /nfs/dbraw/zinc/51/58/43/646515843.db2.gz GHCCRKCBNZBWDW-RKDXNWHRSA-N 1 0 208.261 0.946 20 10 BCCDRO O=C1NCC[C@@H]1[NH2+]Cc1ccccc1O ZINC000710358145 711761099 /nfs/dbraw/zinc/76/10/99/711761099.db2.gz PSGFFTQQGVQROR-VIFPVBQESA-N 1 0 206.245 0.370 20 10 BCCDRO CN1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)CC1=O ZINC000386308590 711027873 /nfs/dbraw/zinc/02/78/73/711027873.db2.gz GSAFAQAMXBJKAS-LBPRGKRZSA-N 1 0 246.310 0.942 20 10 BCCDRO [NH3+]C1(CC(=O)NCc2ccccc2O)CC1 ZINC000398155193 711709011 /nfs/dbraw/zinc/70/90/11/711709011.db2.gz GBOBYCNAYZHQOI-UHFFFAOYSA-N 1 0 220.272 0.890 20 10 BCCDRO CN(C)c1ccc(CNC(=O)C2(C)C[NH2+]C2)cc1 ZINC000399193347 711744540 /nfs/dbraw/zinc/74/45/40/711744540.db2.gz AFSJOMORRGKSIN-UHFFFAOYSA-N 1 0 247.342 0.978 20 10 BCCDRO Cc1cccc(C[NH2+]CC(=O)N(C)C)c1O ZINC000163728926 179089766 /nfs/dbraw/zinc/08/97/66/179089766.db2.gz CPWWCUOQVQSZPA-UHFFFAOYSA-N 1 0 222.288 0.878 20 10 BCCDRO OC[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(F)ccc1O ZINC000370384151 187385509 /nfs/dbraw/zinc/38/55/09/187385509.db2.gz CKTSXLKYPCJSMF-GHMZBOCLSA-N 1 0 241.262 0.459 20 10 BCCDRO [NH3+]CCCC(=O)NCc1ccccc1O ZINC000083345376 181372886 /nfs/dbraw/zinc/37/28/86/181372886.db2.gz JTPFXBMFVNRIRT-UHFFFAOYSA-N 1 0 208.261 0.747 20 10 BCCDRO O=C(NCc1ccccc1O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000275550165 182258486 /nfs/dbraw/zinc/25/84/86/182258486.db2.gz SLZOPOFUDYRRNV-VHSXEESVSA-N 1 0 238.262 0.708 20 10 BCCDRO OCCOCC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037362925 183084734 /nfs/dbraw/zinc/08/47/34/183084734.db2.gz NELJJNZIYVUIHW-UHFFFAOYSA-N 1 0 237.299 0.720 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+]C[C@@]1(O)CCOC1 ZINC000180876838 183274558 /nfs/dbraw/zinc/27/45/58/183274558.db2.gz IUTUHGQGMRSNKS-LBPRGKRZSA-N 1 0 241.262 0.772 20 10 BCCDRO COC[C@@H](CO)[NH2+][C@H]1CCc2cccc(O)c21 ZINC000296568729 384191148 /nfs/dbraw/zinc/19/11/48/384191148.db2.gz UXMNTZRHXUBYLI-MNOVXSKESA-N 1 0 237.299 0.976 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1CC[NH2+]C1 ZINC000062115286 385160034 /nfs/dbraw/zinc/16/00/34/385160034.db2.gz VWDPKPVIHOLJIE-SNVBAGLBSA-N 1 0 234.299 0.960 20 10 BCCDRO COC[C@@H](CO)[NH2+]Cc1ccc(N(C)C)cc1 ZINC000234870864 386111451 /nfs/dbraw/zinc/11/14/51/386111451.db2.gz ONGCGMCLTUJCEM-GFCCVEGCSA-N 1 0 238.331 0.850 20 10 BCCDRO COC[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000234876935 386112293 /nfs/dbraw/zinc/11/22/93/386112293.db2.gz AIHJENJWBAKCGE-GFCCVEGCSA-N 1 0 237.299 0.718 20 10 BCCDRO COC[C@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000234788347 386098434 /nfs/dbraw/zinc/09/84/34/386098434.db2.gz QTGBZLLXTYKNOH-JTQLQIEISA-N 1 0 241.287 0.498 20 10 BCCDRO C[NH2+]CC(=O)N1CCOc2cc(N(C)C)ccc21 ZINC000237192065 386365445 /nfs/dbraw/zinc/36/54/45/386365445.db2.gz LVDSYVBTMFCBKQ-UHFFFAOYSA-N 1 0 249.314 0.697 20 10 BCCDRO COC[C@@H](CO)[NH2+]Cc1ccccc1O ZINC000234873516 388362057 /nfs/dbraw/zinc/36/20/57/388362057.db2.gz BTWMXGDRSYLYFL-SNVBAGLBSA-N 1 0 211.261 0.489 20 10 BCCDRO Nc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000237859081 388399034 /nfs/dbraw/zinc/39/90/34/388399034.db2.gz PHDWAKYUJXGTFN-MRVPVSSYSA-N 1 0 205.261 0.817 20 10 BCCDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cc(F)ccc1O ZINC000295877891 388414567 /nfs/dbraw/zinc/41/45/67/388414567.db2.gz GSWIYNQCOMOINU-NYRNMGCKSA-N 1 0 241.262 0.942 20 10 BCCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1COCCN1)CC2 ZINC000530227812 388635432 /nfs/dbraw/zinc/63/54/32/388635432.db2.gz VXOFUAVIZXWMOU-NWDGAFQWSA-N 1 0 248.326 0.958 20 10 BCCDRO CN(CC(N)=O)Cc1cc(F)ccc1O ZINC000226562177 388722608 /nfs/dbraw/zinc/72/26/08/388722608.db2.gz AJLGUVRWHMKCEG-UHFFFAOYSA-N 1 0 212.224 0.448 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000035134180 170064928 /nfs/dbraw/zinc/06/49/28/170064928.db2.gz VQQDTRNAALXJFW-UHFFFAOYSA-N 1 0 235.331 0.978 20 10 BCCDRO CN(C)C(=O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037207310 172369856 /nfs/dbraw/zinc/36/98/56/172369856.db2.gz LPCNOYJVHRCKBB-UHFFFAOYSA-N 1 0 235.331 0.930 20 10 BCCDRO CNC(=O)C[NH2+]Cc1cc(C)ccc1O ZINC000070955140 173277250 /nfs/dbraw/zinc/27/72/50/173277250.db2.gz MWFCJBKCUMNIEM-UHFFFAOYSA-N 1 0 208.261 0.536 20 10 BCCDRO C[NH2+]CC(=O)NCc1ccc(N(C)C)cc1 ZINC000040419291 173330762 /nfs/dbraw/zinc/33/07/62/173330762.db2.gz XIMVXKWYLKQWCT-UHFFFAOYSA-N 1 0 221.304 0.588 20 10 BCCDRO COC[C@@H](O)C[NH2+][C@H]1CCc2cccc(O)c21 ZINC000297589484 174498704 /nfs/dbraw/zinc/49/87/04/174498704.db2.gz HOGJOCYCRLFWFJ-QWRGUYRKSA-N 1 0 237.299 0.976 20 10 BCCDRO COc1ccc(C[NH2+]C(CO)CO)cc1C ZINC000083691748 175105151 /nfs/dbraw/zinc/10/51/51/175105151.db2.gz AWKHGVPIBPFUMG-UHFFFAOYSA-N 1 0 225.288 0.446 20 10 BCCDRO COc1ccc(C[NH2+]C[C@@H](O)CO)cc1C ZINC000083353966 175107420 /nfs/dbraw/zinc/10/74/20/175107420.db2.gz HWHMSOBAHIIHCI-LLVKDONJSA-N 1 0 225.288 0.446 20 10 BCCDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1C ZINC000295664848 175110450 /nfs/dbraw/zinc/11/04/50/175110450.db2.gz QUQSODGRGTYFOX-VXGBXAGGSA-N 1 0 237.299 0.853 20 10 BCCDRO COc1ccc(O)c(C[NH2+]CCCO)c1 ZINC000020188661 175158666 /nfs/dbraw/zinc/15/86/66/175158666.db2.gz ZPMNFWJVEREWNI-UHFFFAOYSA-N 1 0 211.261 0.873 20 10 BCCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CO)c1 ZINC000035602237 175158676 /nfs/dbraw/zinc/15/86/76/175158676.db2.gz GOMMHQKSLPZWMO-QMMMGPOBSA-N 1 0 211.261 0.871 20 10 BCCDRO COc1cccc(C[NH2+]CC(=O)N(C)C)c1O ZINC000037225412 175263434 /nfs/dbraw/zinc/26/34/34/175263434.db2.gz STBMISITGPLMFJ-UHFFFAOYSA-N 1 0 238.287 0.579 20 10 BCCDRO COc1cccc(C[NH2+][C@@H](C)CO)c1O ZINC000035603269 175265750 /nfs/dbraw/zinc/26/57/50/175265750.db2.gz WQPJRCOLHZMQHJ-QMMMGPOBSA-N 1 0 211.261 0.871 20 10 BCCDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000186661743 176186011 /nfs/dbraw/zinc/18/60/11/176186011.db2.gz QLYGVDYNASTBDT-ZWNOBZJWSA-N 1 0 247.342 0.926 20 10 BCCDRO Nc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000160460329 487884515 /nfs/dbraw/zinc/88/45/15/487884515.db2.gz YLHNEBDOQKPCKS-NSHDSACASA-N 1 0 223.251 0.909 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000530181299 324512646 /nfs/dbraw/zinc/51/26/46/324512646.db2.gz LMHIJYWNYQIFEC-GFCCVEGCSA-N 1 0 236.315 0.779 20 10 BCCDRO C[NH2+]CCNC(=O)N[C@H](C)c1ccccc1O ZINC000891994109 582756117 /nfs/dbraw/zinc/75/61/17/582756117.db2.gz PAEAZXCAORXAGI-SECBINFHSA-N 1 0 237.303 0.972 20 10 BCCDRO COc1ccc(C[NH2+]CCO)c(O)c1OC ZINC000893324788 583100959 /nfs/dbraw/zinc/10/09/59/583100959.db2.gz YVJDZPGFLGBGSJ-UHFFFAOYSA-N 1 0 227.260 0.491 20 10 BCCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(N)=O ZINC000894065711 583293524 /nfs/dbraw/zinc/29/35/24/583293524.db2.gz GQWRSARLIFFHBD-SECBINFHSA-N 1 0 234.299 0.975 20 10 BCCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895649655 583699744 /nfs/dbraw/zinc/69/97/44/583699744.db2.gz RSEQYIBBEMQSBI-JQWIXIFHSA-N 1 0 205.257 0.959 20 10 BCCDRO Oc1ccccc1C[NH2+]CCN1CC[C@H](O)C1 ZINC000858338186 588946865 /nfs/dbraw/zinc/94/68/65/588946865.db2.gz DJNAIJXPXIECBZ-LBPRGKRZSA-N 1 0 236.315 0.548 20 10 BCCDRO COc1ccc(C[NH2+][C@H]2CNOC2)cc1C ZINC000904427211 584881498 /nfs/dbraw/zinc/88/14/98/584881498.db2.gz RNYITHMBJZLSSE-NSHDSACASA-N 1 0 222.288 0.997 20 10 BCCDRO O=C1NCC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000769851862 585565286 /nfs/dbraw/zinc/56/52/86/585565286.db2.gz OQRWCKGZAAZCRG-NSHDSACASA-N 1 0 232.283 0.600 20 10 BCCDRO Cc1cccc(C[NH2+]CCc2nnnn2C)c1O ZINC000776256947 585693816 /nfs/dbraw/zinc/69/38/16/585693816.db2.gz UMOICXSVTRBCSE-UHFFFAOYSA-N 1 0 247.302 0.556 20 10 BCCDRO Nc1ccc(CCNC(=O)C[NH2+]C2CC2)cc1 ZINC000818545020 586899627 /nfs/dbraw/zinc/89/96/27/586899627.db2.gz AXDPXNGSFODAQR-UHFFFAOYSA-N 1 0 233.315 0.680 20 10 BCCDRO C[C@H](C(=O)NCc1ccc(O)c(O)c1)[NH+](C)C ZINC000821070444 587093353 /nfs/dbraw/zinc/09/33/53/587093353.db2.gz BUCBOYIKQAIJGU-MRVPVSSYSA-N 1 0 238.287 0.664 20 10 BCCDRO Nc1ccc(CC(=O)NCC2([NH3+])CCC2)cc1 ZINC000831546171 587618414 /nfs/dbraw/zinc/61/84/14/587618414.db2.gz NJKRPWIMKXNENC-UHFFFAOYSA-N 1 0 233.315 0.809 20 10 BCCDRO C[NH2+]CCC(=O)NCc1ccc(OC)cc1O ZINC000832178406 587648599 /nfs/dbraw/zinc/64/85/99/587648599.db2.gz QOCOKAAUYUAFFM-UHFFFAOYSA-N 1 0 238.287 0.627 20 10 BCCDRO COc1ccc(CNC(=O)C[C@@H](C)[NH3+])c(O)c1 ZINC000832178417 587648679 /nfs/dbraw/zinc/64/86/79/587648679.db2.gz RAKKUQZGXMXAQJ-MRVPVSSYSA-N 1 0 238.287 0.754 20 10 BCCDRO COc1ccc(CNC(=O)[C@H]2CC[NH2+]2)c(O)c1 ZINC000832178373 587648813 /nfs/dbraw/zinc/64/88/13/587648813.db2.gz PRFSFOHFIIHUHY-SNVBAGLBSA-N 1 0 236.271 0.379 20 10 BCCDRO Nc1ccc(CC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000832630614 587670706 /nfs/dbraw/zinc/67/07/06/587670706.db2.gz RLOUZSQIXGBBDR-GFCCVEGCSA-N 1 0 247.342 0.927 20 10 BCCDRO C[NH2+]C[C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000832643624 587672767 /nfs/dbraw/zinc/67/27/67/587672767.db2.gz BUMVYSXMIMKWCH-GFCCVEGCSA-N 1 0 247.342 0.879 20 10 BCCDRO CC[NH2+][C@H](C)CNC(=O)Cc1ccc(N)cc1 ZINC000834695371 587764422 /nfs/dbraw/zinc/76/44/22/587764422.db2.gz WDDJSOPKAPFBTL-SNVBAGLBSA-N 1 0 235.331 0.926 20 10 BCCDRO Oc1ccc(F)cc1CN[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841079111 587945000 /nfs/dbraw/zinc/94/50/00/587945000.db2.gz YNSCZMNZRRGGON-IAZYJMLFSA-N 1 0 222.263 0.839 20 10 BCCDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccccc1O ZINC000841961507 587986927 /nfs/dbraw/zinc/98/69/27/587986927.db2.gz CIEMXIMOYQJFCT-VIFPVBQESA-N 1 0 237.303 0.786 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000843294661 588098064 /nfs/dbraw/zinc/09/80/64/588098064.db2.gz ZIPGVNSESNTINQ-OTSSQURYSA-N 1 0 205.261 0.945 20 10 BCCDRO COc1ccc(O)c(C[NH+](CCO)CCO)c1 ZINC000862429129 589212544 /nfs/dbraw/zinc/21/25/44/589212544.db2.gz BIAVLBBSKFLBNG-UHFFFAOYSA-N 1 0 241.287 0.187 20 10 BCCDRO CN(C)c1ccc(C[NH2+]C[C@H]2COCCN2)cc1 ZINC000863484091 589293060 /nfs/dbraw/zinc/29/30/60/589293060.db2.gz SZTPKWRXJZEOPU-ZDUSSCGKSA-N 1 0 249.358 0.831 20 10 BCCDRO C[N@@H+](Cc1ccccc1O)C[C@@H]1CNCCO1 ZINC000125484425 590166433 /nfs/dbraw/zinc/16/64/33/590166433.db2.gz WWGAHZWWCZIAJM-LBPRGKRZSA-N 1 0 236.315 0.812 20 10 BCCDRO C[NH+](C)C[C@H](N)C(=O)Nc1ccc(N)cc1 ZINC000876504653 590204035 /nfs/dbraw/zinc/20/40/35/590204035.db2.gz RYZHFHYFONDODI-JTQLQIEISA-N 1 0 222.292 0.096 20 10 BCCDRO C[NH+](C)CCCNC(=O)c1cccc(O)c1O ZINC000126229185 590254880 /nfs/dbraw/zinc/25/48/80/590254880.db2.gz QXLAWLYLIDCYAW-UHFFFAOYSA-N 1 0 238.287 0.779 20 10 BCCDRO CN(C(=O)[C@H]1CCO[C@H]1C[NH3+])c1ccc(N)cc1 ZINC000877074466 590278164 /nfs/dbraw/zinc/27/81/64/590278164.db2.gz LHAOILNJZDMGBH-RYUDHWBXSA-N 1 0 249.314 0.595 20 10 BCCDRO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)c1ccc(N)cc1 ZINC000877074375 590278435 /nfs/dbraw/zinc/27/84/35/590278435.db2.gz IEKWVGQLYGDKSW-CZMCAQCFSA-N 1 0 219.288 0.969 20 10 BCCDRO CN(C(=O)C1(C)C[NH2+]C1)c1ccc(N)cc1 ZINC000877076976 590278715 /nfs/dbraw/zinc/27/87/15/590278715.db2.gz ZIXSUZXRMAFSLQ-UHFFFAOYSA-N 1 0 219.288 0.841 20 10 BCCDRO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)c1ccc(N)cc1 ZINC000877075808 590278975 /nfs/dbraw/zinc/27/89/75/590278975.db2.gz IEKWVGQLYGDKSW-WAAGHKOSSA-N 1 0 219.288 0.969 20 10 BCCDRO CN(C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1ccc(N)cc1 ZINC000877077253 590278978 /nfs/dbraw/zinc/27/89/78/590278978.db2.gz AKFCGLQTJQCZSC-FXAINCCUSA-N 1 0 231.299 0.982 20 10 BCCDRO O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CCn2nccc21 ZINC000877293096 590307765 /nfs/dbraw/zinc/30/77/65/590307765.db2.gz IKFMVXYTOJMHJM-DLRQAJBASA-N 1 0 246.314 0.786 20 10 BCCDRO Cc1ccc(C[NH2+][C@H](C)C(N)=O)c(O)c1 ZINC000877480711 590337318 /nfs/dbraw/zinc/33/73/18/590337318.db2.gz FOHNDJNGGNPCQZ-MRVPVSSYSA-N 1 0 208.261 0.664 20 10 BCCDRO CO[C@@H]1C[N@H+](Cc2ccc(C)cc2O)C[C@H]1O ZINC000877569852 590362194 /nfs/dbraw/zinc/36/21/94/590362194.db2.gz BRPDBMQATQAPRH-CHWSQXEVSA-N 1 0 237.299 0.892 20 10 BCCDRO Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)c(O)c1 ZINC000877658011 590386086 /nfs/dbraw/zinc/38/60/86/590386086.db2.gz LIBIOYRHHSUPAE-DGCLKSJQSA-N 1 0 237.299 0.940 20 10 BCCDRO Oc1cc2c(cc1C[NH2+][C@@H]1CCOC1)OCO2 ZINC000131243342 591577688 /nfs/dbraw/zinc/57/76/88/591577688.db2.gz PWGRQLQANPSZCZ-SECBINFHSA-N 1 0 237.255 0.999 20 10 BCCDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccccc2O)CCO1 ZINC000132618570 591724253 /nfs/dbraw/zinc/72/42/53/591724253.db2.gz ZPYPLVJVYUBNJH-GWCFXTLKSA-N 1 0 236.315 0.940 20 10 BCCDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000135729271 592042420 /nfs/dbraw/zinc/04/24/20/592042420.db2.gz CRUIMHNQWWWCKV-VIFPVBQESA-N 1 0 234.299 0.975 20 10 BCCDRO Cc1cc(N(C)C)ccc1CNC(=O)C[NH3+] ZINC000237056669 635729936 /nfs/dbraw/zinc/72/99/36/635729936.db2.gz SOOVLHIHUOCCIC-UHFFFAOYSA-N 1 0 221.304 0.636 20 10 BCCDRO CN(C(=O)C[C@H]1C[NH2+]CCO1)c1ccc(N)cc1 ZINC000140158494 635871888 /nfs/dbraw/zinc/87/18/88/635871888.db2.gz JENKURIKMGGPAN-LBPRGKRZSA-N 1 0 249.314 0.610 20 10 BCCDRO CC(C)(C[NH3+])C(=O)NCc1ccccc1O ZINC000162969738 633042402 /nfs/dbraw/zinc/04/24/02/633042402.db2.gz YPIFZVIZXNMCBM-UHFFFAOYSA-N 1 0 222.288 0.993 20 10 BCCDRO Oc1ccccc1C[NH2+][C@H]1COC[C@H]1O ZINC000162912162 635185214 /nfs/dbraw/zinc/18/52/14/635185214.db2.gz DUVBMVKRFDWAID-GXSJLCMTSA-N 1 0 209.245 0.242 20 10 BCCDRO C[NH2+][C@@H](C)C(=O)NCc1ccccc1O ZINC000162966881 635269216 /nfs/dbraw/zinc/26/92/16/635269216.db2.gz BHKPCLSRSHOZKG-QMMMGPOBSA-N 1 0 208.261 0.616 20 10 BCCDRO COc1ccc(O)c(C[NH2+]CC2([NH3+])CC2)c1 ZINC000904448583 637414708 /nfs/dbraw/zinc/41/47/08/637414708.db2.gz BXUUOJQIWOVUQW-UHFFFAOYSA-N 1 0 222.288 0.982 20 10 BCCDRO COc1cccc(O)c1C[NH2+]CCCON ZINC000904455899 637416666 /nfs/dbraw/zinc/41/66/66/637416666.db2.gz AMHLHHVEHKBGEM-UHFFFAOYSA-N 1 0 226.276 0.771 20 10 BCCDRO C[C@@H]([NH2+]C[C@@H](O)[C@H](C)O)c1ccccc1O ZINC000931555209 640272217 /nfs/dbraw/zinc/27/22/17/640272217.db2.gz VFCKCBQABNESJO-VDDIYKPWSA-N 1 0 225.288 0.785 20 10 BCCDRO C[C@@H](O)[C@@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000931555207 640272730 /nfs/dbraw/zinc/27/27/30/640272730.db2.gz VFCKCBQABNESJO-LNLATYFQSA-N 1 0 225.288 0.785 20 10 BCCDRO COCC[C@@H]([NH3+])C(=O)NCc1ccccc1O ZINC000228420342 640873399 /nfs/dbraw/zinc/87/33/99/640873399.db2.gz IKQIBJHAHCAJHV-SNVBAGLBSA-N 1 0 238.287 0.372 20 10 BCCDRO COCC[NH2+]CC(=O)NCc1ccccc1O ZINC000228422394 640873658 /nfs/dbraw/zinc/87/36/58/640873658.db2.gz SEXSTQBBYJVECP-UHFFFAOYSA-N 1 0 238.287 0.244 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000050463307 641154140 /nfs/dbraw/zinc/15/41/40/641154140.db2.gz JEGGIECMYSYKKQ-ZJUUUORDSA-N 1 0 220.272 0.698 20 10 BCCDRO C[C@H]([NH3+])CC(=O)NCc1ccccc1O ZINC000162969102 641672571 /nfs/dbraw/zinc/67/25/71/641672571.db2.gz KHHPAAHXEKCHJC-QMMMGPOBSA-N 1 0 208.261 0.746 20 10 BCCDRO C[C@H](C[NH3+])N(C)C(=O)Cc1ccc(N)cc1 ZINC000237612805 642723678 /nfs/dbraw/zinc/72/36/78/642723678.db2.gz BDEORGMXCHNBIX-SECBINFHSA-N 1 0 221.304 0.617 20 10 BCCDRO C[C@@](O)(CO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000090286768 643136421 /nfs/dbraw/zinc/13/64/21/643136421.db2.gz UUSRYWPPQQSGHW-ZDUSSCGKSA-N 1 0 237.299 0.454 20 10 BCCDRO Nc1ccc(CC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000834407949 645141007 /nfs/dbraw/zinc/14/10/07/645141007.db2.gz HLUJWRMIOYWMBD-LBPRGKRZSA-N 1 0 233.315 0.665 20 10 BCCDRO CN(C)c1ccc(CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925512147 646311394 /nfs/dbraw/zinc/31/13/94/646311394.db2.gz ZYZJYSQXPVWSQN-ZDUSSCGKSA-N 1 0 249.358 0.831 20 10 BCCDRO Nc1ccc(CC[NH2+][C@@H]2CNCCOC2)cc1 ZINC000925690102 646416539 /nfs/dbraw/zinc/41/65/39/646416539.db2.gz DZZLKLIXQCXNHL-CYBMUJFWSA-N 1 0 235.331 0.389 20 10 BCCDRO C[C@H]([NH2+][C@@H]1CNOC1)c1ccccc1O ZINC000925863030 646516965 /nfs/dbraw/zinc/51/69/65/646516965.db2.gz GHCCRKCBNZBWDW-DTWKUNHWSA-N 1 0 208.261 0.946 20 10 BCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000717361243 712652259 /nfs/dbraw/zinc/65/22/59/712652259.db2.gz UPQGWTOEMGOSDH-WRWORJQWSA-N 1 0 245.706 0.877 20 10 BCCDRO CN(C)c1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000384827234 710997365 /nfs/dbraw/zinc/99/73/65/710997365.db2.gz XOAUWKNYFJXHCL-GFCCVEGCSA-N 1 0 233.315 0.731 20 10 BCCDRO CC1(C(=O)NCc2ccccc2O)C[NH2+]C1 ZINC000399168194 711423175 /nfs/dbraw/zinc/42/31/75/711423175.db2.gz FUXRLIIHDYUFFD-UHFFFAOYSA-N 1 0 220.272 0.618 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000381359968 710626387 /nfs/dbraw/zinc/62/63/87/710626387.db2.gz FKDXHWCYGROEFX-UHFFFAOYSA-N 1 0 220.272 0.808 20 10 BCCDRO C[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000381355156 710626593 /nfs/dbraw/zinc/62/65/93/710626593.db2.gz COWNRBXXMJMOES-YUMQZZPRSA-N 1 0 208.261 0.917 20 10 BCCDRO C[C@@]1(C(=O)Nc2ccc(N)cc2)C[C@H](O)C[NH2+]1 ZINC000911659514 711819205 /nfs/dbraw/zinc/81/92/05/711819205.db2.gz AQCXLVBEPIXATQ-JQWIXIFHSA-N 1 0 235.287 0.320 20 10 BCCDRO CN1CCOC[C@H]1C[NH2+]Cc1ccccc1O ZINC000700243951 711989042 /nfs/dbraw/zinc/98/90/42/711989042.db2.gz NPNOEAOWBSZNLB-GFCCVEGCSA-N 1 0 236.315 0.812 20 10 BCCDRO CO[C@](C)(CO)C[NH2+]Cc1ccccc1O ZINC000702531786 712055259 /nfs/dbraw/zinc/05/52/59/712055259.db2.gz LQYLTZKUIHAEDQ-LBPRGKRZSA-N 1 0 225.288 0.879 20 10 BCCDRO CN(C)c1ccc(C[NH2+][C@@H]2CNOC2)cc1 ZINC000705578385 712133704 /nfs/dbraw/zinc/13/37/04/712133704.db2.gz LPZCZRCXWDJCRP-LLVKDONJSA-N 1 0 221.304 0.746 20 10 BCCDRO O[C@@H]1CCOC[C@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000710859832 712259740 /nfs/dbraw/zinc/25/97/40/712259740.db2.gz IRTJWRMPBGPALX-CHWSQXEVSA-N 1 0 249.310 0.861 20 10 BCCDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)C)c1ccccc1O ZINC000717276463 712642348 /nfs/dbraw/zinc/64/23/48/712642348.db2.gz FXCAFRMHTHOCNF-GHMZBOCLSA-N 1 0 238.331 0.965 20 10 BCCDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000717388567 712653173 /nfs/dbraw/zinc/65/31/73/712653173.db2.gz QVRVSNLKTNKYRS-CABZTGNLSA-N 1 0 237.299 0.453 20 10 BCCDRO O=C(NCc1ccccc1O)[C@H]1CC[NH2+]1 ZINC000384843804 712701379 /nfs/dbraw/zinc/70/13/79/712701379.db2.gz WKSKWLSPZYOIJH-SECBINFHSA-N 1 0 206.245 0.370 20 10 BCCDRO O=S1(=O)CC[C@@H]([NH2+]Cc2ccccc2O)C1 ZINC000019899837 342961669 /nfs/dbraw/zinc/96/16/69/342961669.db2.gz GHJAOSNZIPXXAE-SNVBAGLBSA-N 1 0 241.312 0.669 20 10 BCCDRO Cc1cccc(C[N@H+](CCO)CCCO)c1O ZINC000271754111 179071430 /nfs/dbraw/zinc/07/14/30/179071430.db2.gz WPHVRYKIWRTTGX-UHFFFAOYSA-N 1 0 239.315 0.877 20 10 BCCDRO OCCCC[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000193281182 183052937 /nfs/dbraw/zinc/05/29/37/183052937.db2.gz FLYCOOGGOBPPGL-UHFFFAOYSA-N 1 0 239.271 0.983 20 10 BCCDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1O ZINC000359973386 183130043 /nfs/dbraw/zinc/13/00/43/183130043.db2.gz KYEWFXUMHLTRNQ-WDEREUQCSA-N 1 0 223.272 0.320 20 10 BCCDRO Oc1ccccc1C[NH2+]C[C@@H]1COCCO1 ZINC000038060166 183303175 /nfs/dbraw/zinc/30/31/75/183303175.db2.gz UOKKJZJXGMAZSS-LLVKDONJSA-N 1 0 223.272 0.897 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000071266771 384159198 /nfs/dbraw/zinc/15/91/98/384159198.db2.gz ZZPCDWVFMSZUDS-LBPRGKRZSA-N 1 0 237.299 0.718 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)CC[NH3+] ZINC000037823746 384533434 /nfs/dbraw/zinc/53/34/34/384533434.db2.gz WMWBVFYCQJQLEM-UHFFFAOYSA-N 1 0 208.261 0.699 20 10 BCCDRO C[NH+](C)CCCNC(=O)Cc1ccc(N)cc1 ZINC000020185643 384588105 /nfs/dbraw/zinc/58/81/05/384588105.db2.gz XFOUYOAMJNWFTQ-UHFFFAOYSA-N 1 0 235.331 0.879 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)C1([NH3+])CC1 ZINC000083834996 384801074 /nfs/dbraw/zinc/80/10/74/384801074.db2.gz GNYGNANFFVSFRY-UHFFFAOYSA-N 1 0 220.272 0.842 20 10 BCCDRO COC[C@H](CCO)[NH2+]Cc1ccccc1O ZINC000164301779 384960450 /nfs/dbraw/zinc/96/04/50/384960450.db2.gz ILQIGZTXMWVUDA-NSHDSACASA-N 1 0 225.288 0.879 20 10 BCCDRO C[N@H+](CCO)Cc1cc2c(cc1O)OCO2 ZINC000127929388 384964927 /nfs/dbraw/zinc/96/49/27/384964927.db2.gz NSVSBWRWYGLGMV-UHFFFAOYSA-N 1 0 225.244 0.545 20 10 BCCDRO CNC(=O)CC[NH2+]Cc1ccccc1O ZINC000044987948 385232876 /nfs/dbraw/zinc/23/28/76/385232876.db2.gz YTGMFRIPRJHOHG-UHFFFAOYSA-N 1 0 208.261 0.618 20 10 BCCDRO O=C1CC[N@H+](Cc2ccccc2O)CCN1 ZINC000179570585 385474053 /nfs/dbraw/zinc/47/40/53/385474053.db2.gz BTMBFZFJUFMWKO-UHFFFAOYSA-N 1 0 220.272 0.714 20 10 BCCDRO C[C@@H](CO)[N@H+](C)Cc1cc2c(cc1O)OCO2 ZINC000289498094 386316964 /nfs/dbraw/zinc/31/69/64/386316964.db2.gz SOHCMKHHCKUILH-QMMMGPOBSA-N 1 0 239.271 0.934 20 10 BCCDRO CNC(=O)CC[NH2+]Cc1cc(F)ccc1O ZINC000226587901 386336722 /nfs/dbraw/zinc/33/67/22/386336722.db2.gz RDODPICSTVBGEM-UHFFFAOYSA-N 1 0 226.251 0.757 20 10 BCCDRO CO[C@H](C[NH3+])C(=O)N(C)Cc1ccccc1O ZINC000227368619 386478384 /nfs/dbraw/zinc/47/83/84/386478384.db2.gz ACIXRHQJFWDRKE-LLVKDONJSA-N 1 0 238.287 0.324 20 10 BCCDRO Cc1ccc(O)c(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000359975639 387791051 /nfs/dbraw/zinc/79/10/51/387791051.db2.gz RGQHSMHCXLASKB-NEPJUHHUSA-N 1 0 237.299 0.628 20 10 BCCDRO CNC(=O)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC000035052666 173277675 /nfs/dbraw/zinc/27/76/75/173277675.db2.gz GRYSLIUUHFBQGR-UHFFFAOYSA-N 1 0 222.288 0.839 20 10 BCCDRO COCC[N@H+](CCO)Cc1ccccc1O ZINC000128552316 174295394 /nfs/dbraw/zinc/29/53/94/174295394.db2.gz LLSHCVPPUISUCD-UHFFFAOYSA-N 1 0 225.288 0.833 20 10 BCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@H](O)C2)c1 ZINC000132492683 175156970 /nfs/dbraw/zinc/15/69/70/175156970.db2.gz GUJAJZJZTKSCFA-JTQLQIEISA-N 1 0 223.272 0.967 20 10 BCCDRO COc1ccc(O)c(C[NH2+]CCOCCO)c1 ZINC000020199292 175159037 /nfs/dbraw/zinc/15/90/37/175159037.db2.gz VBRQBYWOWDNHDT-UHFFFAOYSA-N 1 0 241.287 0.499 20 10 BCCDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000186661710 176184902 /nfs/dbraw/zinc/18/49/02/176184902.db2.gz QLYGVDYNASTBDT-MFKMUULPSA-N 1 0 247.342 0.926 20 10 BCCDRO C[C@H]([NH2+]Cc1ccccc1O)C(=O)NCCF ZINC000282670405 176877143 /nfs/dbraw/zinc/87/71/43/176877143.db2.gz MUJFGXXRTVHRPB-VIFPVBQESA-N 1 0 240.278 0.956 20 10 BCCDRO Cc1cccc(C[NH2+][C@]2(CO)CCOC2)c1O ZINC000184191537 487876508 /nfs/dbraw/zinc/87/65/08/487876508.db2.gz UJNJAWWTUNRHGM-ZDUSSCGKSA-N 1 0 237.299 0.942 20 10 BCCDRO Oc1ccccc1CN1CCOC2(C[NH2+]C2)C1 ZINC000853248385 588729027 /nfs/dbraw/zinc/72/90/27/588729027.db2.gz FKGYOWDBSJDHQH-UHFFFAOYSA-N 1 0 234.299 0.566 20 10 BCCDRO C[NH+](C)C[C@H](CO)NC(=O)C1=CC(=O)CS1 ZINC000854465409 588788591 /nfs/dbraw/zinc/78/85/91/588788591.db2.gz RHZHJVRVAJLKPM-SSDOTTSWSA-N 1 0 244.316 0.106 20 10 BCCDRO O=C(NCC1C[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000892047704 582772789 /nfs/dbraw/zinc/77/27/89/582772789.db2.gz AUDKTQVJIGLFSZ-UHFFFAOYSA-N 1 0 247.298 0.637 20 10 BCCDRO C[C@@H](NC(=O)NCC1C[NH2+]C1)c1ccccc1O ZINC000892049446 582774114 /nfs/dbraw/zinc/77/41/14/582774114.db2.gz VDOGTNPPOQUTKO-SECBINFHSA-N 1 0 249.314 0.972 20 10 BCCDRO C[C@H](NC(=O)NCC1C[NH2+]C1)c1ccccc1O ZINC000892049447 582774368 /nfs/dbraw/zinc/77/43/68/582774368.db2.gz VDOGTNPPOQUTKO-VIFPVBQESA-N 1 0 249.314 0.972 20 10 BCCDRO C[C@H]([NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892104036 582791400 /nfs/dbraw/zinc/79/14/00/582791400.db2.gz VDFIXEZPGGNJNF-QMMMGPOBSA-N 1 0 235.287 0.765 20 10 BCCDRO COc1ccc(C[NH2+]C[C@@H](C)O)c(O)c1OC ZINC000893233480 583075918 /nfs/dbraw/zinc/07/59/18/583075918.db2.gz SCSZAAMANWRIEZ-MRVPVSSYSA-N 1 0 241.287 0.880 20 10 BCCDRO Oc1ccccc1C[NH2+]C[C@@H]1COCO1 ZINC000894871246 583539427 /nfs/dbraw/zinc/53/94/27/583539427.db2.gz RWGBHWNQYAUBQM-SNVBAGLBSA-N 1 0 209.245 0.855 20 10 BCCDRO Oc1ccccc1C[NH2+]C[C@H]1COCO1 ZINC000894871245 583539757 /nfs/dbraw/zinc/53/97/57/583539757.db2.gz RWGBHWNQYAUBQM-JTQLQIEISA-N 1 0 209.245 0.855 20 10 BCCDRO Cc1ccc(C[NH2+]CCN2CCNC2=O)c(O)c1 ZINC000895810982 583730357 /nfs/dbraw/zinc/73/03/57/583730357.db2.gz APZGFGHTPDVICT-UHFFFAOYSA-N 1 0 249.314 0.815 20 10 BCCDRO CN(C)c1ccc([C@@H](CNC(N)=[NH2+])N(C)C)cc1 ZINC000899264109 584188962 /nfs/dbraw/zinc/18/89/62/584188962.db2.gz ZUNSLFOEYKJLKA-GFCCVEGCSA-N 1 0 249.362 0.838 20 10 BCCDRO CN(C)c1ccc(C[NH2+][C@@H]2CNOC2)cc1F ZINC000904421374 584882396 /nfs/dbraw/zinc/88/23/96/584882396.db2.gz ADKLOJJBWUECKU-SNVBAGLBSA-N 1 0 239.294 0.885 20 10 BCCDRO CCOc1ccc(C[NH2+][C@H](C)C(N)=O)c(O)c1 ZINC000775202036 585673344 /nfs/dbraw/zinc/67/33/44/585673344.db2.gz YNSGHIGOVZAQCH-MRVPVSSYSA-N 1 0 238.287 0.754 20 10 BCCDRO CN(C)c1ccc(C[NH2+]CCC(N)=O)cc1F ZINC000776932808 585707080 /nfs/dbraw/zinc/70/70/80/585707080.db2.gz SZCRYPWHKVEKLK-UHFFFAOYSA-N 1 0 239.294 0.857 20 10 BCCDRO CCN(CC(N)=O)Cc1c(O)cccc1OC ZINC000789594535 585945365 /nfs/dbraw/zinc/94/53/65/585945365.db2.gz AKXPOBZZLWIWDZ-UHFFFAOYSA-N 1 0 238.287 0.708 20 10 BCCDRO CC(C)[N@@H+](Cc1ccccc1O)C[C@H](O)CO ZINC000817417945 586803349 /nfs/dbraw/zinc/80/33/49/586803349.db2.gz VJCKSXVGYMLNRF-LBPRGKRZSA-N 1 0 239.315 0.956 20 10 BCCDRO COc1ccc(CNC(=O)[C@H](C)C[NH3+])c(O)c1 ZINC000832178759 587648548 /nfs/dbraw/zinc/64/85/48/587648548.db2.gz WEEOEEPJOQYMLH-MRVPVSSYSA-N 1 0 238.287 0.612 20 10 BCCDRO CO[C@H](C[NH3+])CC(=O)Nc1ccc(N)cc1 ZINC000832244794 587652109 /nfs/dbraw/zinc/65/21/09/587652109.db2.gz WPHJGUJIEFKAFS-JTQLQIEISA-N 1 0 223.276 0.571 20 10 BCCDRO CC[NH2+]CCCNC(=O)Cc1ccc(N)cc1 ZINC000832383127 587657144 /nfs/dbraw/zinc/65/71/44/587657144.db2.gz NXPVWOWEHPUMFP-UHFFFAOYSA-N 1 0 235.331 0.927 20 10 BCCDRO CC[NH2+]CCNCc1cc2c(cc1O)OCO2 ZINC000841038371 587937568 /nfs/dbraw/zinc/93/75/68/587937568.db2.gz ZRNQJUDBDNXSKN-UHFFFAOYSA-N 1 0 238.287 0.820 20 10 BCCDRO C[C@@H](NCc1cc2c(cc1O)OCO2)[C@H](C)[NH3+] ZINC000841082130 587944632 /nfs/dbraw/zinc/94/46/32/587944632.db2.gz WGFOTMJUGVSBEV-JGVFFNPUSA-N 1 0 238.287 0.946 20 10 BCCDRO Oc1cc2c(cc1CN[C@@H]1[C@H]3C[NH2+]C[C@H]31)OCO2 ZINC000841077217 587945177 /nfs/dbraw/zinc/94/51/77/587945177.db2.gz DXASJWKVRNBXGH-WOFXILAISA-N 1 0 248.282 0.428 20 10 BCCDRO COc1cccc(O)c1CN(C)CC[NH3+] ZINC000841099857 587946576 /nfs/dbraw/zinc/94/65/76/587946576.db2.gz PJLBEUIXPHDICI-UHFFFAOYSA-N 1 0 210.277 0.791 20 10 BCCDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000842220719 588007352 /nfs/dbraw/zinc/00/73/52/588007352.db2.gz HHLVNMAJCQTGMN-BXKDBHETSA-N 1 0 237.299 0.453 20 10 BCCDRO Cc1cccc(CN2CCO[C@@H](C[NH3+])C2)c1O ZINC000843065904 588078672 /nfs/dbraw/zinc/07/86/72/588078672.db2.gz RDCVBFUKAMEKJV-LBPRGKRZSA-N 1 0 236.315 0.860 20 10 BCCDRO COc1cccc(O)c1CN(C)C1C[NH2+]C1 ZINC000843124649 588083223 /nfs/dbraw/zinc/08/32/23/588083223.db2.gz IJUKPENDEMDLFZ-UHFFFAOYSA-N 1 0 222.288 0.804 20 10 BCCDRO Nc1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000843294926 588098074 /nfs/dbraw/zinc/09/80/74/588098074.db2.gz MHIFSOLTVFHVNB-GFCCVEGCSA-N 1 0 249.314 0.976 20 10 BCCDRO Cc1cc(C[NH2+]C(CO)CO)ccc1N(C)C ZINC000846942275 588297703 /nfs/dbraw/zinc/29/77/03/588297703.db2.gz UZPOIGMHWISOME-UHFFFAOYSA-N 1 0 238.331 0.504 20 10 BCCDRO COc1ccc(O)c(CNC2=[NH+]CCN2C)c1 ZINC000849008910 588434113 /nfs/dbraw/zinc/43/41/13/588434113.db2.gz JOMVIKDYMXGBDT-UHFFFAOYSA-N 1 0 235.287 0.792 20 10 BCCDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccccc1O ZINC000851679233 588614533 /nfs/dbraw/zinc/61/45/33/588614533.db2.gz AXEVJRHDUSNCMW-SECBINFHSA-N 1 0 237.303 0.799 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000852790932 588703060 /nfs/dbraw/zinc/70/30/60/588703060.db2.gz VXFNCDNYYLTFGO-WDEREUQCSA-N 1 0 235.287 0.571 20 10 BCCDRO CC[C@H]([NH2+]C)C(=O)NCCc1ccc(N)cc1 ZINC000852794793 588703127 /nfs/dbraw/zinc/70/31/27/588703127.db2.gz BWZAZESOMPPFTQ-LBPRGKRZSA-N 1 0 235.331 0.926 20 10 BCCDRO COc1ccc(N2CC[C@H](NC(=O)C[NH3+])C2)cc1 ZINC000852900702 588712334 /nfs/dbraw/zinc/71/23/34/588712334.db2.gz QAEDOUVOHSTURN-JTQLQIEISA-N 1 0 249.314 0.349 20 10 BCCDRO C[NH2+]C[C@@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000852919922 588713269 /nfs/dbraw/zinc/71/32/69/588713269.db2.gz FEUBURVKPMBLMV-SECBINFHSA-N 1 0 221.304 0.535 20 10 BCCDRO CCc1cccc(C[NH+](CCO)CCO)c1O ZINC000862430047 589212359 /nfs/dbraw/zinc/21/23/59/589212359.db2.gz PARDLQXZXXPKBF-UHFFFAOYSA-N 1 0 239.315 0.741 20 10 BCCDRO Cc1cc(O)c(C[NH+](CCO)CCO)cc1C ZINC000862429443 589212551 /nfs/dbraw/zinc/21/25/51/589212551.db2.gz ICKRSXSIEHIFJB-UHFFFAOYSA-N 1 0 239.315 0.796 20 10 BCCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2COCCN2)cc1 ZINC000863484090 589293111 /nfs/dbraw/zinc/29/31/11/589293111.db2.gz SZTPKWRXJZEOPU-CYBMUJFWSA-N 1 0 249.358 0.831 20 10 BCCDRO COC[C@H]([NH3+])Cc1cn(-c2ccc(N)cc2)nn1 ZINC000864619612 589384078 /nfs/dbraw/zinc/38/40/78/589384078.db2.gz GTICHBUJDHSHCD-SNVBAGLBSA-N 1 0 247.302 0.366 20 10 BCCDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(F)ccc1O ZINC000866419650 589491575 /nfs/dbraw/zinc/49/15/75/589491575.db2.gz GSWIYNQCOMOINU-XXFPWJFMSA-N 1 0 241.262 0.942 20 10 BCCDRO COC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccccc1O ZINC000870988367 589706782 /nfs/dbraw/zinc/70/67/82/589706782.db2.gz NTBFLNSMAUCGSL-WPRPVWTQSA-N 1 0 238.287 0.543 20 10 BCCDRO Nc1ccc(CCNC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000876528407 590208984 /nfs/dbraw/zinc/20/89/84/590208984.db2.gz XINXUHFQLSUIFC-CYBMUJFWSA-N 1 0 245.326 0.975 20 10 BCCDRO C[C@H](C(=O)NCCc1ccc(N)cc1)[NH+](C)C ZINC000876528696 590209260 /nfs/dbraw/zinc/20/92/60/590209260.db2.gz WGYCKWIFWPACGA-SNVBAGLBSA-N 1 0 235.331 0.878 20 10 BCCDRO Nc1ccc(CC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000126253581 590260671 /nfs/dbraw/zinc/26/06/71/590260671.db2.gz LLYHJYQDASGPTA-LLVKDONJSA-N 1 0 219.288 0.289 20 10 BCCDRO CC[NH2+]CC(=O)N(C)c1ccc(N)cc1 ZINC000877079317 590279609 /nfs/dbraw/zinc/27/96/09/590279609.db2.gz XJDZERKGXWDYKG-UHFFFAOYSA-N 1 0 207.277 0.841 20 10 BCCDRO C[C@H]([NH3+])CN(C)C(=O)Cc1ccc(N)cc1 ZINC000877095788 590281702 /nfs/dbraw/zinc/28/17/02/590281702.db2.gz RFOLGSFRXFWUDW-VIFPVBQESA-N 1 0 221.304 0.617 20 10 BCCDRO COCC1(O)C[NH+](Cc2c(C)cccc2O)C1 ZINC000877581940 590365736 /nfs/dbraw/zinc/36/57/36/590365736.db2.gz AKSADTLVSJUFQM-UHFFFAOYSA-N 1 0 237.299 0.894 20 10 BCCDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000877750203 590414263 /nfs/dbraw/zinc/41/42/63/590414263.db2.gz JUGVZFHTPWVIDK-YPMHNXCESA-N 1 0 237.299 0.628 20 10 BCCDRO C[C@@H]([NH2+]CCn1cnnn1)c1ccccc1O ZINC000879650376 590843576 /nfs/dbraw/zinc/84/35/76/590843576.db2.gz XPQIZBVRBUSKKC-SECBINFHSA-N 1 0 233.275 0.730 20 10 BCCDRO Oc1cc2c(cc1C[NH2+][C@H]1CCOC1)OCO2 ZINC000131243558 591578101 /nfs/dbraw/zinc/57/81/01/591578101.db2.gz PWGRQLQANPSZCZ-VIFPVBQESA-N 1 0 237.255 0.999 20 10 BCCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1CNOC1)CC2 ZINC000925859977 635554573 /nfs/dbraw/zinc/55/45/73/635554573.db2.gz MAVRSFRZEIOBBT-NXEZZACHSA-N 1 0 220.272 0.873 20 10 BCCDRO COc1ccc(C[NH2+]C[C@@](C)(O)CO)cc1C ZINC000090286984 631524609 /nfs/dbraw/zinc/52/46/09/631524609.db2.gz YXBJKPOPETYSDV-CYBMUJFWSA-N 1 0 239.315 0.837 20 10 BCCDRO C[C@@H]1C[N@H+](Cc2ccccc2O)C[C@@H](CO)O1 ZINC000248955475 635685415 /nfs/dbraw/zinc/68/54/15/635685415.db2.gz FTGKVFQEMZNNLT-PWSUYJOCSA-N 1 0 237.299 0.974 20 10 BCCDRO C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1O ZINC000162971055 635270720 /nfs/dbraw/zinc/27/07/20/635270720.db2.gz IMIDSBFTTLTWRV-SECBINFHSA-N 1 0 222.288 0.864 20 10 BCCDRO C[NH2+][C@@H](C)C(=O)N(C)Cc1ccccc1O ZINC000054075491 635345442 /nfs/dbraw/zinc/34/54/42/635345442.db2.gz FHPHDWBOTZGUQY-VIFPVBQESA-N 1 0 222.288 0.959 20 10 BCCDRO C[C@@H]([NH2+][C@H]1CNOC1)c1ccccc1O ZINC000925870554 635585117 /nfs/dbraw/zinc/58/51/17/635585117.db2.gz GHCCRKCBNZBWDW-BDAKNGLRSA-N 1 0 208.261 0.946 20 10 BCCDRO COc1ccc(C[NH2+][C@H](C)C(N)=O)cc1C ZINC000035052799 636520211 /nfs/dbraw/zinc/52/02/11/636520211.db2.gz AWUCFVAFVJBNTD-SECBINFHSA-N 1 0 222.288 0.967 20 10 BCCDRO COc1ccc(O)c(C[NH2+]CCCON)c1 ZINC000904457879 637419684 /nfs/dbraw/zinc/41/96/84/637419684.db2.gz UMLOXCSSDDBHAW-UHFFFAOYSA-N 1 0 226.276 0.771 20 10 BCCDRO [NH3+]C1CC([NH2+]Cc2cc3c(cc2O)OCO3)C1 ZINC000906509542 638180845 /nfs/dbraw/zinc/18/08/45/638180845.db2.gz IMYGFQFFTPFBJU-UHFFFAOYSA-N 1 0 236.271 0.700 20 10 BCCDRO COc1ccc(O)c(C[NH2+][C@@H]2COC[C@@H]2O)c1 ZINC000323743393 639399915 /nfs/dbraw/zinc/39/99/15/639399915.db2.gz YKBDMMIWJRSDOW-PWSUYJOCSA-N 1 0 239.271 0.250 20 10 BCCDRO Nc1ccc(NC(=O)C[C@]2(O)CCC[NH2+]C2)cc1 ZINC000911660895 639692618 /nfs/dbraw/zinc/69/26/18/639692618.db2.gz NZVBTCFDABLQKA-CYBMUJFWSA-N 1 0 249.314 0.712 20 10 BCCDRO C[C@@H]([NH2+][C@@H](C)c1ccccc1O)C(N)=O ZINC000035793680 639948268 /nfs/dbraw/zinc/94/82/68/639948268.db2.gz PKCKPEDHGGCMQK-JGVFFNPUSA-N 1 0 208.261 0.917 20 10 BCCDRO C[C@@H]([NH2+][C@H](C)c1ccccc1O)C(N)=O ZINC000035793684 639948977 /nfs/dbraw/zinc/94/89/77/639948977.db2.gz PKCKPEDHGGCMQK-HTQZYQBOSA-N 1 0 208.261 0.917 20 10 BCCDRO C[NH+](C)CC(=O)NCCc1ccc(N)cc1 ZINC000167918543 640764546 /nfs/dbraw/zinc/76/45/46/640764546.db2.gz BMXGNHLDLNTBJI-UHFFFAOYSA-N 1 0 221.304 0.489 20 10 BCCDRO Nc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000238140657 642786778 /nfs/dbraw/zinc/78/67/78/642786778.db2.gz HZWFHUFSQYYEQA-GFCCVEGCSA-N 1 0 249.314 0.976 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1cc(OC)ccc1O ZINC000071264990 643110398 /nfs/dbraw/zinc/11/03/98/643110398.db2.gz QEHOLTYNEFIOPK-JTQLQIEISA-N 1 0 241.287 0.498 20 10 BCCDRO C[C@](O)(CO)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000090286767 643138486 /nfs/dbraw/zinc/13/84/86/643138486.db2.gz UUSRYWPPQQSGHW-CYBMUJFWSA-N 1 0 237.299 0.454 20 10 BCCDRO Nc1ccc(CC(=O)N2CCC([NH3+])CC2)cc1 ZINC000082260704 643284979 /nfs/dbraw/zinc/28/49/79/643284979.db2.gz VHNLUXXWOFTDNL-UHFFFAOYSA-N 1 0 233.315 0.761 20 10 BCCDRO CC[C@@H]([NH3+])C(=O)NCc1ccc(OC)cc1O ZINC000083365743 643442326 /nfs/dbraw/zinc/44/23/26/643442326.db2.gz OYYYWGNZTPGXAI-SNVBAGLBSA-N 1 0 238.287 0.754 20 10 BCCDRO COc1ccc(O)c(CN(C)C2C[NH2+]C2)c1 ZINC000085257431 643705984 /nfs/dbraw/zinc/70/59/84/643705984.db2.gz VHTLAZQZBLONNS-UHFFFAOYSA-N 1 0 222.288 0.804 20 10 BCCDRO CN1C(=O)CC[C@@H]([NH2+]Cc2ccccc2O)C1=O ZINC000090024289 644576305 /nfs/dbraw/zinc/57/63/05/644576305.db2.gz NAJWMHCBBNLRKS-SNVBAGLBSA-N 1 0 248.282 0.629 20 10 BCCDRO Oc1ccccc1CN1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000846067994 645396989 /nfs/dbraw/zinc/39/69/89/645396989.db2.gz OFAMTWQIOCMMGF-CYBMUJFWSA-N 1 0 248.326 0.643 20 10 BCCDRO CCC[N@@H+](Cc1ccccc1O)C[C@H](O)CO ZINC000929752706 646282399 /nfs/dbraw/zinc/28/23/99/646282399.db2.gz DZWFQNZJQIQSOX-LBPRGKRZSA-N 1 0 239.315 0.957 20 10 BCCDRO Cc1cccc(C[N@H+](C)CC(N)=O)c1O ZINC000162809570 711680313 /nfs/dbraw/zinc/68/03/13/711680313.db2.gz FDQSTKYSDAOVOL-UHFFFAOYSA-N 1 0 208.261 0.618 20 10 BCCDRO C[C@@H]([NH2+][C@H]1CCNC1=O)c1ccccc1O ZINC000381328646 710623138 /nfs/dbraw/zinc/62/31/38/710623138.db2.gz SCRLTYWXDCFJAL-SCZZXKLOSA-N 1 0 220.272 0.931 20 10 BCCDRO C[NH2+]CCNC(=O)Cc1ccc(N)cc1 ZINC000381779032 710712851 /nfs/dbraw/zinc/71/28/51/710712851.db2.gz XOOJYNAPTNBDQC-UHFFFAOYSA-N 1 0 207.277 0.147 20 10 BCCDRO CON(C)C(=O)C[NH2+]Cc1cc(C)ccc1O ZINC000397526926 711385232 /nfs/dbraw/zinc/38/52/32/711385232.db2.gz RIRWVYIFCFTFMH-UHFFFAOYSA-N 1 0 238.287 0.810 20 10 BCCDRO NC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363078 712574910 /nfs/dbraw/zinc/57/49/10/712574910.db2.gz DBBMUPAPYHMCPR-UHFFFAOYSA-N 1 0 220.272 0.587 20 10 BCCDRO C[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879734 343456715 /nfs/dbraw/zinc/45/67/15/343456715.db2.gz DENFZHAKKBJJIR-ZETCQYMHSA-N 1 0 225.244 0.591 20 10 BCCDRO [NH3+][C@H]1CC=C(C(=O)N2CCCn3nccc32)C1 ZINC000638275817 352113281 /nfs/dbraw/zinc/11/32/81/352113281.db2.gz KIPFSMHKPJYHQB-JTQLQIEISA-N 1 0 232.287 0.667 20 10 BCCDRO [NH3+]CC(=O)NCc1ccc(N2CCCC2)cc1 ZINC000083884418 181353694 /nfs/dbraw/zinc/35/36/94/181353694.db2.gz FEFMELGFVVBHEQ-UHFFFAOYSA-N 1 0 233.315 0.862 20 10 BCCDRO Oc1ccccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000363891266 183301402 /nfs/dbraw/zinc/30/14/02/183301402.db2.gz TUCGKKQTKQUOKS-ZDUSSCGKSA-N 1 0 248.326 0.909 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1ccccc1O ZINC000070589594 383938630 /nfs/dbraw/zinc/93/86/30/383938630.db2.gz QYOUYRWDPBMYJL-SNVBAGLBSA-N 1 0 211.261 0.489 20 10 BCCDRO COC[C@H](O)C[NH2+]Cc1cc(OC)ccc1O ZINC000071264987 384156703 /nfs/dbraw/zinc/15/67/03/384156703.db2.gz QEHOLTYNEFIOPK-SNVBAGLBSA-N 1 0 241.287 0.498 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)C[NH+](C)C ZINC000171187095 384562644 /nfs/dbraw/zinc/56/26/44/384562644.db2.gz XMGDQIXHNUQQIY-UHFFFAOYSA-N 1 0 222.288 0.912 20 10 BCCDRO [NH3+]CC(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000082275101 384655975 /nfs/dbraw/zinc/65/59/75/384655975.db2.gz KGWNZQNBQFEWDB-UHFFFAOYSA-N 1 0 249.314 0.098 20 10 BCCDRO C[C@@H](C[NH3+])C(=O)N(C)Cc1ccccc1O ZINC000054342014 384831878 /nfs/dbraw/zinc/83/18/78/384831878.db2.gz ZWDNZUURIVAQAH-VIFPVBQESA-N 1 0 222.288 0.945 20 10 BCCDRO OCCC[N@H+](CCO)Cc1ccccc1O ZINC000128553022 385049432 /nfs/dbraw/zinc/04/94/32/385049432.db2.gz PUALNHNLZQKPQA-UHFFFAOYSA-N 1 0 225.288 0.569 20 10 BCCDRO COC[C@@H](CO)[NH2+]Cc1cc(OC)ccc1O ZINC000234868148 386111896 /nfs/dbraw/zinc/11/18/96/386111896.db2.gz QTGBZLLXTYKNOH-SNVBAGLBSA-N 1 0 241.287 0.498 20 10 BCCDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(N)cc2)C1 ZINC000296343345 386163202 /nfs/dbraw/zinc/16/32/02/386163202.db2.gz YZTWHDATHHFHFV-LBPRGKRZSA-N 1 0 233.315 0.632 20 10 BCCDRO O=C(C[NH2+]Cc1cc(F)ccc1O)NC1CC1 ZINC000236560030 386285387 /nfs/dbraw/zinc/28/53/87/386285387.db2.gz GENIXWICQQBETL-UHFFFAOYSA-N 1 0 238.262 0.900 20 10 BCCDRO C[N@H+](Cc1ccccc1O)[C@@H]1COC[C@H]1O ZINC000289797753 386355398 /nfs/dbraw/zinc/35/53/98/386355398.db2.gz SHWQHFJYJPWYFA-ZYHUDNBSSA-N 1 0 223.272 0.584 20 10 BCCDRO CN(C)c1ccc2c(c1)OCCN2C(=O)C[NH3+] ZINC000237101514 388389797 /nfs/dbraw/zinc/38/97/97/388389797.db2.gz JOJUCMMKMQTXLI-UHFFFAOYSA-N 1 0 235.287 0.437 20 10 BCCDRO Oc1ccccc1C[NH2+]C[C@H]1COCCN1 ZINC000530180825 388622869 /nfs/dbraw/zinc/62/28/69/388622869.db2.gz BYSHZYMURBODLP-NSHDSACASA-N 1 0 222.288 0.470 20 10 BCCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1COCCN1)CC2 ZINC000530227811 388635625 /nfs/dbraw/zinc/63/56/25/388635625.db2.gz VXOFUAVIZXWMOU-NEPJUHHUSA-N 1 0 248.326 0.958 20 10 BCCDRO CN1CCN(C)[C@H](C[NH2+]Cc2ccccc2O)C1 ZINC000068801404 173075752 /nfs/dbraw/zinc/07/57/52/173075752.db2.gz RGOPXECFBGNPRH-CYBMUJFWSA-N 1 0 249.358 0.728 20 10 BCCDRO CN1C[C@@H]([NH2+]Cc2ccccc2O)CC1=O ZINC000263789075 173186727 /nfs/dbraw/zinc/18/67/27/173186727.db2.gz XFGTYMHPLGRCNT-JTQLQIEISA-N 1 0 220.272 0.713 20 10 BCCDRO CNC(=O)C[NH2+]Cc1ccc(N(C)C)cc1 ZINC000037207217 173277339 /nfs/dbraw/zinc/27/73/39/173277339.db2.gz HJIFQGXZACZYBV-UHFFFAOYSA-N 1 0 221.304 0.588 20 10 BCCDRO C[NH2+]CCC(=O)N(C)Cc1ccccc1O ZINC000043605360 173339132 /nfs/dbraw/zinc/33/91/32/173339132.db2.gz HHMIJAUMGWHPRH-UHFFFAOYSA-N 1 0 222.288 0.960 20 10 BCCDRO COc1ccc(O)c(C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000132488855 175156942 /nfs/dbraw/zinc/15/69/42/175156942.db2.gz GUJAJZJZTKSCFA-SNVBAGLBSA-N 1 0 223.272 0.967 20 10 BCCDRO C[C@@H]([NH2+][C@@H](C)C(N)=O)c1ccccc1O ZINC000035793676 176914493 /nfs/dbraw/zinc/91/44/93/176914493.db2.gz PKCKPEDHGGCMQK-SFYZADRCSA-N 1 0 208.261 0.917 20 10 BCCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1COCCN1)CC2 ZINC000530227813 324547248 /nfs/dbraw/zinc/54/72/48/324547248.db2.gz VXOFUAVIZXWMOU-RYUDHWBXSA-N 1 0 248.326 0.958 20 10 BCCDRO C[NH+](C)C[C@@H](CO)NC(=O)C1=CC(=O)CS1 ZINC000854465411 588788399 /nfs/dbraw/zinc/78/83/99/588788399.db2.gz RHZHJVRVAJLKPM-ZETCQYMHSA-N 1 0 244.316 0.106 20 10 BCCDRO [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccccc2O)C1 ZINC000892557339 582912591 /nfs/dbraw/zinc/91/25/91/582912591.db2.gz PUFRJLUNAAQYAC-JGZJWPJOSA-N 1 0 249.314 0.929 20 10 BCCDRO C[N@H+](CCO)CCNC(=O)C1=CC(=O)CS1 ZINC000899734034 584235380 /nfs/dbraw/zinc/23/53/80/584235380.db2.gz ROXQJKFPUBJTRV-UHFFFAOYSA-N 1 0 244.316 0.108 20 10 BCCDRO CCOc1ccc(C[NH2+][C@H]2CNOC2)c(O)c1 ZINC000904427019 584881781 /nfs/dbraw/zinc/88/17/81/584881781.db2.gz NTVDCBQDFMTIOP-JTQLQIEISA-N 1 0 238.287 0.784 20 10 BCCDRO COc1cccc(C[NH2+][C@@H]2CNOC2)c1O ZINC000904421758 584882578 /nfs/dbraw/zinc/88/25/78/584882578.db2.gz QVSCZNPUFKOBLL-SECBINFHSA-N 1 0 224.260 0.394 20 10 BCCDRO COCC[NH2+]CC(=O)N(C)c1ccc(N)cc1 ZINC000877078962 584889748 /nfs/dbraw/zinc/88/97/48/584889748.db2.gz LFPBDLRBRNHSDT-UHFFFAOYSA-N 1 0 237.303 0.468 20 10 BCCDRO Cc1cccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1O ZINC000775735836 585683626 /nfs/dbraw/zinc/68/36/26/585683626.db2.gz ZHYGWPIGVJMVRA-TXEJJXNPSA-N 1 0 237.299 0.628 20 10 BCCDRO Oc1ccccc1C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000802657965 586308671 /nfs/dbraw/zinc/30/86/71/586308671.db2.gz XKRDXCCUDAJARF-TXEJJXNPSA-N 1 0 235.283 0.992 20 10 BCCDRO Cc1cccc(CN2CCN(C)C[C@H]2C[NH3+])c1O ZINC000843121354 586409780 /nfs/dbraw/zinc/40/97/80/586409780.db2.gz FKWDVVBBOWBZQM-CYBMUJFWSA-N 1 0 249.358 0.775 20 10 BCCDRO CC(=O)C(=O)COC(=O)c1ccc2c[nH+]cn2c1 ZINC000808549153 586479418 /nfs/dbraw/zinc/47/94/18/586479418.db2.gz REXUJUJEKBLIJK-UHFFFAOYSA-N 1 0 246.222 0.649 20 10 BCCDRO COc1cccc(O)c1C[N@H+](C)CCC(N)=O ZINC000809714136 586514513 /nfs/dbraw/zinc/51/45/13/586514513.db2.gz ZTCCMMBHQHTIRO-UHFFFAOYSA-N 1 0 238.287 0.708 20 10 BCCDRO CC(C)[N@@H+](Cc1ccccc1O)C[C@@H](O)CO ZINC000817417944 586803717 /nfs/dbraw/zinc/80/37/17/586803717.db2.gz VJCKSXVGYMLNRF-GFCCVEGCSA-N 1 0 239.315 0.956 20 10 BCCDRO Oc1cccc2c1[C@H](NC1C[NH2+]C1)CC2 ZINC000817955438 586849967 /nfs/dbraw/zinc/84/99/67/586849967.db2.gz ASZRXMOMLWCZGE-SNVBAGLBSA-N 1 0 204.273 0.941 20 10 BCCDRO C[C@@H](C(=O)NCCc1ccc(N)cc1)[C@H](C)[NH3+] ZINC000818545341 586899387 /nfs/dbraw/zinc/89/93/87/586899387.db2.gz YXTPQTHHTNKEOH-ZJUUUORDSA-N 1 0 235.331 0.911 20 10 BCCDRO C[C@@H]([NH3+])[C@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000818545340 586899683 /nfs/dbraw/zinc/89/96/83/586899683.db2.gz YXTPQTHHTNKEOH-VHSXEESVSA-N 1 0 235.331 0.911 20 10 BCCDRO CC[NH2+]CC(=O)NCCc1ccc(N)cc1 ZINC000818545189 586899855 /nfs/dbraw/zinc/89/98/55/586899855.db2.gz NKFIHXYJAHFFNT-UHFFFAOYSA-N 1 0 221.304 0.537 20 10 BCCDRO CC1(C(=O)Nc2ccc(N)cc2)C[NH2+]C1 ZINC000818556325 586900913 /nfs/dbraw/zinc/90/09/13/586900913.db2.gz MALWVWXSZJHCAJ-UHFFFAOYSA-N 1 0 205.261 0.817 20 10 BCCDRO CN(C)c1ccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])cc1 ZINC000825973690 587347385 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/nfs/dbraw/zinc/75/26/29/587752629.db2.gz PYDTUUXRUFSRGW-SECBINFHSA-N 1 0 221.304 0.522 20 10 BCCDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834642833 587762460 /nfs/dbraw/zinc/76/24/60/587762460.db2.gz SXWYQLYSAFKVTQ-ZWNOBZJWSA-N 1 0 247.342 0.926 20 10 BCCDRO Oc1cc2c(cc1CN[C@H]1CC[NH2+]C1)OCO2 ZINC000841045397 587938966 /nfs/dbraw/zinc/93/89/66/587938966.db2.gz TVJNRZYZXXASHD-VIFPVBQESA-N 1 0 236.271 0.572 20 10 BCCDRO [NH3+]CCN(CCO)Cc1cccc(Cl)c1[O-] ZINC000841059500 587940745 /nfs/dbraw/zinc/94/07/45/587940745.db2.gz SUQZCUVGDKQRDX-UHFFFAOYSA-N 1 0 244.722 0.799 20 10 BCCDRO COc1ccc(O)c(CN[C@H](C)C[NH3+])c1 ZINC000841060317 587941725 /nfs/dbraw/zinc/94/17/25/587941725.db2.gz USIUTYDEWWGNOO-MRVPVSSYSA-N 1 0 210.277 0.838 20 10 BCCDRO CC[C@H]([NH3+])CNCc1cc2c(cc1O)OCO2 ZINC000841071191 587942585 /nfs/dbraw/zinc/94/25/85/587942585.db2.gz ZYHDSSYCHVHGHD-VIFPVBQESA-N 1 0 238.287 0.948 20 10 BCCDRO [NH3+][C@@H](CNC(=O)NCc1ccccc1O)C1CC1 ZINC000841965941 587987073 /nfs/dbraw/zinc/98/70/73/587987073.db2.gz MAEFJQCIKLVEPU-NSHDSACASA-N 1 0 249.314 0.929 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000843343158 588101463 /nfs/dbraw/zinc/10/14/63/588101463.db2.gz UVOCJVJIYZHMSJ-ITGUQSILSA-N 1 0 245.326 0.393 20 10 BCCDRO C[NH2+][C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000848394636 588376778 /nfs/dbraw/zinc/37/67/78/588376778.db2.gz NILKZRSADIWBQV-VIFPVBQESA-N 1 0 221.304 0.535 20 10 BCCDRO C[C@]1(NC(=O)Cc2ccc(N)cc2)CC[NH2+]C1 ZINC000852927233 588713865 /nfs/dbraw/zinc/71/38/65/588713865.db2.gz GHJSXGASTPAADF-ZDUSSCGKSA-N 1 0 233.315 0.680 20 10 BCCDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1O ZINC000861701883 589175386 /nfs/dbraw/zinc/17/53/86/589175386.db2.gz YBELTCSBOVAZAL-GXSJLCMTSA-N 1 0 249.314 0.942 20 10 BCCDRO Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c(O)c1 ZINC000876751331 590238012 /nfs/dbraw/zinc/23/80/12/590238012.db2.gz WAEUMNTXJNCSTL-TXEJJXNPSA-N 1 0 223.272 0.238 20 10 BCCDRO CN(C(=O)/C=C/[C@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000876770923 590239419 /nfs/dbraw/zinc/23/94/19/590239419.db2.gz KQXQYYVBEGMOEA-MVIFTORASA-N 1 0 248.330 0.939 20 10 BCCDRO CN(C(=O)[C@H]1CC[NH2+]1)c1ccc(N)cc1 ZINC000877077477 590278560 /nfs/dbraw/zinc/27/85/60/590278560.db2.gz JQPBDMJLVLFTMY-SNVBAGLBSA-N 1 0 205.261 0.594 20 10 BCCDRO CN(C(=O)[C@@]1(F)CC[NH2+]C1)c1ccc(N)cc1 ZINC000877079311 590279469 /nfs/dbraw/zinc/27/94/69/590279469.db2.gz XGSRMBCOKMPTID-GFCCVEGCSA-N 1 0 237.278 0.933 20 10 BCCDRO CN(C(=O)[C@@H]1C[NH2+]CCO1)c1ccc(N)cc1 ZINC000877079090 590279516 /nfs/dbraw/zinc/27/95/16/590279516.db2.gz PYFRNNUFUBHXES-NSHDSACASA-N 1 0 235.287 0.220 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1ccc(C)cc1O ZINC000877141847 590291742 /nfs/dbraw/zinc/29/17/42/590291742.db2.gz FSAYWRCZBOABCK-UHFFFAOYSA-N 1 0 222.288 0.926 20 10 BCCDRO Cc1ccc(C[NH2+]CC(=O)N(C)C)c(O)c1 ZINC000877150036 590293018 /nfs/dbraw/zinc/29/30/18/590293018.db2.gz KOPVMZYCPBKKDH-UHFFFAOYSA-N 1 0 222.288 0.878 20 10 BCCDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc(N)cc1 ZINC000877174105 590296701 /nfs/dbraw/zinc/29/67/01/590296701.db2.gz PXXOERLPVWWBIP-BXKDBHETSA-N 1 0 233.315 0.759 20 10 BCCDRO Cc1cccc(O)c1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750656 590414922 /nfs/dbraw/zinc/41/49/22/590414922.db2.gz UGLOKISRUXXXJS-OLZOCXBDSA-N 1 0 237.299 0.628 20 10 BCCDRO CN(C)c1ccc(Cn2cc(CC[NH3+])nn2)cc1 ZINC000881272522 591177711 /nfs/dbraw/zinc/17/77/11/591177711.db2.gz YOPCYMUXKBXZIP-UHFFFAOYSA-N 1 0 245.330 0.894 20 10 BCCDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccccc2O)CCO1 ZINC000132618970 591724863 /nfs/dbraw/zinc/72/48/63/591724863.db2.gz ZPYPLVJVYUBNJH-GXFFZTMASA-N 1 0 236.315 0.940 20 10 BCCDRO COc1ccc(O)c(C[NH2+][C@@H](C)CC(N)=O)c1 ZINC000135745049 592043917 /nfs/dbraw/zinc/04/39/17/592043917.db2.gz SJFCTUWICVYUCC-QMMMGPOBSA-N 1 0 238.287 0.754 20 10 BCCDRO O=C(NCc1ccccc1O)NC[C@@H]1CCC[NH2+]1 ZINC000258008512 634541604 /nfs/dbraw/zinc/54/16/04/634541604.db2.gz FEWPNACMMMCNHF-NSHDSACASA-N 1 0 249.314 0.943 20 10 BCCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@@H](CO)O1 ZINC000248955472 635684906 /nfs/dbraw/zinc/68/49/06/635684906.db2.gz FTGKVFQEMZNNLT-JQWIXIFHSA-N 1 0 237.299 0.974 20 10 BCCDRO Cc1ccc(O)c(CN2CCN(C)C[C@H]2C[NH3+])c1 ZINC000251176145 635703538 /nfs/dbraw/zinc/70/35/38/635703538.db2.gz SWTVMHOVSBNDCO-CYBMUJFWSA-N 1 0 249.358 0.775 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1cccc(C)c1O ZINC000163727609 633063202 /nfs/dbraw/zinc/06/32/02/633063202.db2.gz KYDWJCKHDDMUDB-UHFFFAOYSA-N 1 0 222.288 0.926 20 10 BCCDRO C[C@@H]([NH3+])C(=O)N[C@H](C)c1ccccc1O ZINC000309526737 633189664 /nfs/dbraw/zinc/18/96/64/633189664.db2.gz COWNRBXXMJMOES-HTQZYQBOSA-N 1 0 208.261 0.917 20 10 BCCDRO COC[C@@](C)(CO)[NH2+]Cc1ccccc1O ZINC000309633619 633216660 /nfs/dbraw/zinc/21/66/60/633216660.db2.gz IROMEIZFCSNLLX-GFCCVEGCSA-N 1 0 225.288 0.879 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000141448532 636037810 /nfs/dbraw/zinc/03/78/10/636037810.db2.gz CBLMGOGXQSMXDI-SNVBAGLBSA-N 1 0 205.261 0.959 20 10 BCCDRO C[C@@H](C[NH3+])N(C)C(=O)Cc1ccc(N)cc1 ZINC000237431674 636776533 /nfs/dbraw/zinc/77/65/33/636776533.db2.gz BDEORGMXCHNBIX-VIFPVBQESA-N 1 0 221.304 0.617 20 10 BCCDRO C[NH2+]CC(=O)NCCc1ccc(N)cc1 ZINC000169809520 640878109 /nfs/dbraw/zinc/87/81/09/640878109.db2.gz VWWPAXATTSWMKD-UHFFFAOYSA-N 1 0 207.277 0.147 20 10 BCCDRO O[C@]1(C[NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000229641413 640969874 /nfs/dbraw/zinc/96/98/74/640969874.db2.gz HBXYCYXAGPSEIE-AWEZNQCLSA-N 1 0 249.310 0.863 20 10 BCCDRO CN(CCC[NH3+])C(=O)Cc1ccc(N)cc1 ZINC000158738909 641647928 /nfs/dbraw/zinc/64/79/28/641647928.db2.gz AKDWHIWGBGGQDS-UHFFFAOYSA-N 1 0 221.304 0.619 20 10 BCCDRO CC(C)([NH3+])C(=O)NCc1ccccc1O ZINC000083345389 643530915 /nfs/dbraw/zinc/53/09/15/643530915.db2.gz NVLIMYPPKIIUJI-UHFFFAOYSA-N 1 0 208.261 0.746 20 10 BCCDRO COc1ccc(O)c(CN2CC[C@@H]([NH3+])C2)c1 ZINC000050227999 643652382 /nfs/dbraw/zinc/65/23/82/643652382.db2.gz PNEXZZYNNVCQRM-SNVBAGLBSA-N 1 0 222.288 0.934 20 10 BCCDRO CN1C(=O)CC[C@H]([NH2+]Cc2ccccc2O)C1=O ZINC000090024286 644575449 /nfs/dbraw/zinc/57/54/49/644575449.db2.gz NAJWMHCBBNLRKS-JTQLQIEISA-N 1 0 248.282 0.629 20 10 BCCDRO Cc1cccc(O)c1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000876796674 645787101 /nfs/dbraw/zinc/78/71/01/645787101.db2.gz HQDKHBOZTWXIPR-PHIMTYICSA-N 1 0 237.299 0.628 20 10 BCCDRO C[C@H](O)[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000929969928 646382811 /nfs/dbraw/zinc/38/28/11/646382811.db2.gz GEXUPUKDCOKKIJ-CABZTGNLSA-N 1 0 225.288 0.566 20 10 BCCDRO CN(C)c1ccc(C[NH2+][C@H]2CNOC2)cc1 ZINC000705578386 712133548 /nfs/dbraw/zinc/13/35/48/712133548.db2.gz LPZCZRCXWDJCRP-NSHDSACASA-N 1 0 221.304 0.746 20 10 BCCDRO C[C@H](O)[C@@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000717309597 712646462 /nfs/dbraw/zinc/64/64/62/712646462.db2.gz VFCKCBQABNESJO-AUTRQRHGSA-N 1 0 225.288 0.785 20 10 BCCDRO CN(C)c1ccc(CN(C)C(=O)C[NH3+])cc1 ZINC000037495232 712655346 /nfs/dbraw/zinc/65/53/46/712655346.db2.gz MLXDYWXGXFKKFU-UHFFFAOYSA-N 1 0 221.304 0.670 20 10 BCCDRO C[C@@H](C[NH3+])NC(=O)Cc1ccc(N)cc1 ZINC000309368838 711676472 /nfs/dbraw/zinc/67/64/72/711676472.db2.gz BPVXLDQNPLHGDA-QMMMGPOBSA-N 1 0 207.277 0.275 20 10 BCCDRO C[C@@H]([NH2+]Cc1ccc2c(c1)CCO2)C(N)=O ZINC000037363072 712575111 /nfs/dbraw/zinc/57/51/11/712575111.db2.gz TZIUAQOJCPMQRU-MRVPVSSYSA-N 1 0 220.272 0.585 20 10 BCCDRO C[C@H]([NH3+])C(=O)NCc1ccc(N(C)C)cc1 ZINC000040825820 343409946 /nfs/dbraw/zinc/40/99/46/343409946.db2.gz FUMLAYQQFXPUQV-VIFPVBQESA-N 1 0 221.304 0.716 20 10 BCCDRO Cc1cccc(C[NH2+]C[C@@]2(O)CCOC2)c1O ZINC000224917586 179093686 /nfs/dbraw/zinc/09/36/86/179093686.db2.gz BSJYLCVKVSEPIN-ZDUSSCGKSA-N 1 0 237.299 0.942 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000229640853 188186317 /nfs/dbraw/zinc/18/63/17/188186317.db2.gz FRPLUWUCTXZQNP-ZDUSSCGKSA-N 1 0 237.299 0.942 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]CCS(C)(=O)=O)c1 ZINC000070955256 188487864 /nfs/dbraw/zinc/48/78/64/188487864.db2.gz JHCIVJRZQSMKTB-UHFFFAOYSA-N 1 0 243.328 0.835 20 10 BCCDRO OCCOCC[NH2+]Cc1ccccc1O ZINC000020198608 183085323 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/nfs/dbraw/zinc/16/40/90/386164090.db2.gz YZTWHDATHHFHFV-GFCCVEGCSA-N 1 0 233.315 0.632 20 10 BCCDRO Nc1ccc(NC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000368596481 386991334 /nfs/dbraw/zinc/99/13/34/386991334.db2.gz DBYJLCLEFCQOKP-NSHDSACASA-N 1 0 235.287 0.586 20 10 BCCDRO CN(C)c1ccc(C[NH2+]C[C@H](O)CO)cc1F ZINC000276745930 172552622 /nfs/dbraw/zinc/55/26/22/172552622.db2.gz LFIQHVUAFLSJDF-JTQLQIEISA-N 1 0 242.294 0.335 20 10 BCCDRO CN1C[C@H]([NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000272482968 173195281 /nfs/dbraw/zinc/19/52/81/173195281.db2.gz SYCBXRDLXMPBKR-SNVBAGLBSA-N 1 0 238.262 0.852 20 10 BCCDRO CNC(=O)C[NH2+]Cc1cc(F)ccc1O ZINC000226581960 173277328 /nfs/dbraw/zinc/27/73/28/173277328.db2.gz YAPDBHBBWMVLON-UHFFFAOYSA-N 1 0 212.224 0.367 20 10 BCCDRO C[NH2+]CC(=O)NCc1ccc(N(C)C)c(F)c1 ZINC000166459578 173330063 /nfs/dbraw/zinc/33/00/63/173330063.db2.gz YEAJDGZRLLBSEX-UHFFFAOYSA-N 1 0 239.294 0.727 20 10 BCCDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000186661760 177175257 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/nfs/dbraw/zinc/41/88/45/637418845.db2.gz RNCDWSBVRKBNHY-UHFFFAOYSA-N 1 0 222.288 0.992 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@H]2C[C@H]2C[NH3+])cc1 ZINC000911782738 639800577 /nfs/dbraw/zinc/80/05/77/639800577.db2.gz LZLHBQVPVMKZEI-JQWIXIFHSA-N 1 0 233.315 0.522 20 10 BCCDRO O=C1CC[C@@H](C[NH2+]Cc2cc(F)ccc2O)N1 ZINC000226611602 640778123 /nfs/dbraw/zinc/77/81/23/640778123.db2.gz STHJRUVNDBUTQR-JTQLQIEISA-N 1 0 238.262 0.900 20 10 BCCDRO C[C@@H]([NH2+]Cc1cc(F)ccc1O)C(N)=O ZINC000226619159 640779883 /nfs/dbraw/zinc/77/98/83/640779883.db2.gz BSLJPMBKNRIIPE-ZCFIWIBFSA-N 1 0 212.224 0.495 20 10 BCCDRO COCC[C@H]([NH3+])C(=O)NCc1ccccc1O ZINC000228420354 640874257 /nfs/dbraw/zinc/87/42/57/640874257.db2.gz IKQIBJHAHCAJHV-JTQLQIEISA-N 1 0 238.287 0.372 20 10 BCCDRO Oc1cc2c(cc1C[N@H+]1CC[C@H](O)C1)OCO2 ZINC000157683362 641623112 /nfs/dbraw/zinc/62/31/12/641623112.db2.gz OWJLCKYLCAYSTQ-VIFPVBQESA-N 1 0 237.255 0.688 20 10 BCCDRO COc1ccc(O)c(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000191487210 641924521 /nfs/dbraw/zinc/92/45/21/641924521.db2.gz TYTNIIQDCVZLPU-UHFFFAOYSA-N 1 0 236.271 0.508 20 10 BCCDRO Nc1ccc(CC(=O)NC2CC[NH2+]CC2)cc1 ZINC000082260706 643286565 /nfs/dbraw/zinc/28/65/65/643286565.db2.gz RPDGEIWFDIRLFW-UHFFFAOYSA-N 1 0 233.315 0.680 20 10 BCCDRO COc1ccc(CNC(=O)C2([NH3+])CC2)c(O)c1 ZINC000083363146 643439872 /nfs/dbraw/zinc/43/98/72/643439872.db2.gz FUGFEBQRMVUYDX-UHFFFAOYSA-N 1 0 236.271 0.508 20 10 BCCDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccccc1O ZINC000922974115 644209980 /nfs/dbraw/zinc/20/99/80/644209980.db2.gz UWYOSZQZNLCVBT-CYBMUJFWSA-N 1 0 247.298 0.949 20 10 BCCDRO Cn1nnnc1CC[NH2+]Cc1ccccc1O ZINC000771876025 644690148 /nfs/dbraw/zinc/69/01/48/644690148.db2.gz KAPIMARZUDFJDS-UHFFFAOYSA-N 1 0 233.275 0.248 20 10 BCCDRO COC[C@@H](O)C[N@H+](C)Cc1ccccc1O ZINC000182652026 711896062 /nfs/dbraw/zinc/89/60/62/711896062.db2.gz MVXBYZQJUSBSQW-NSHDSACASA-N 1 0 225.288 0.831 20 10 BCCDRO Cc1ccc(O)c(CN2CCO[C@H](C[NH3+])C2)c1 ZINC000164669443 711682649 /nfs/dbraw/zinc/68/26/49/711682649.db2.gz AJIDVHKOPVHOSS-GFCCVEGCSA-N 1 0 236.315 0.860 20 10 BCCDRO C[NH2+]CCC(=O)NCc1ccccc1O ZINC000162968509 711747963 /nfs/dbraw/zinc/74/79/63/711747963.db2.gz LDSKDRGEBXPYHP-UHFFFAOYSA-N 1 0 208.261 0.618 20 10 BCCDRO C[C@]1(C(=O)Nc2ccc(N)cc2)C[C@@H](O)C[NH2+]1 ZINC000911659516 711819253 /nfs/dbraw/zinc/81/92/53/711819253.db2.gz AQCXLVBEPIXATQ-ZYHUDNBSSA-N 1 0 235.287 0.320 20 10 BCCDRO CO[C@@](C)(CO)C[NH2+]Cc1ccccc1O ZINC000702531785 712055191 /nfs/dbraw/zinc/05/51/91/712055191.db2.gz LQYLTZKUIHAEDQ-GFCCVEGCSA-N 1 0 225.288 0.879 20 10 BCCDRO C[NH2+]CC(=O)N[C@H](C)c1ccccc1O ZINC000390752623 712427349 /nfs/dbraw/zinc/42/73/49/712427349.db2.gz DQULMRYMBZOWJP-MRVPVSSYSA-N 1 0 208.261 0.789 20 10 BCCDRO C[C@H]([NH2+]CC(N)=O)c1ccc(N(C)C)cc1 ZINC000037183904 712553097 /nfs/dbraw/zinc/55/30/97/712553097.db2.gz BCKZTFOVJDZJDO-VIFPVBQESA-N 1 0 221.304 0.889 20 10 BCCDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000717388568 712653193 /nfs/dbraw/zinc/65/31/93/712653193.db2.gz QVRVSNLKTNKYRS-JOYOIKCWSA-N 1 0 237.299 0.453 20 10 BCCDRO C[C@@H]([NH3+])C(=O)N(C)Cc1ccccc1O ZINC000037823752 342954636 /nfs/dbraw/zinc/95/46/36/342954636.db2.gz DGOUOBRFQQJMSF-MRVPVSSYSA-N 1 0 208.261 0.698 20 10 BCCDRO C[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879736 343456510 /nfs/dbraw/zinc/45/65/10/343456510.db2.gz DENFZHAKKBJJIR-SSDOTTSWSA-N 1 0 225.244 0.591 20 10 BCCDRO CNC(=O)CC[NH2+]Cc1ccc2c(c1)CCO2 ZINC000044990407 343520542 /nfs/dbraw/zinc/52/05/42/343520542.db2.gz MGSFOFKMZHHHSU-UHFFFAOYSA-N 1 0 234.299 0.847 20 10 BCCDRO CN(C)c1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483425 345673948 /nfs/dbraw/zinc/67/39/48/345673948.db2.gz UNDLDHHOWWYWCC-BETUJISGSA-N 1 0 236.315 0.290 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]CCOCCO)c1 ZINC000070955069 188130821 /nfs/dbraw/zinc/13/08/21/188130821.db2.gz AZGHOYDJKDDPSE-UHFFFAOYSA-N 1 0 225.288 0.799 20 10 BCCDRO CC(C)[C@H]([NH3+])C(=O)NCCc1ccc(N)cc1 ZINC000169813703 188520710 /nfs/dbraw/zinc/52/07/10/188520710.db2.gz DYEVIJJJZWVHES-LBPRGKRZSA-N 1 0 235.331 0.911 20 10 BCCDRO NC(=O)N1CCC[N@H+](Cc2ccccc2O)CC1 ZINC000179566525 181250250 /nfs/dbraw/zinc/25/02/50/181250250.db2.gz CIGLEMZUMDHMMU-UHFFFAOYSA-N 1 0 249.314 0.979 20 10 BCCDRO OC[C@@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000083352570 183110984 /nfs/dbraw/zinc/11/09/84/183110984.db2.gz DPEINCFAHKRJNE-NSHDSACASA-N 1 0 223.272 0.064 20 10 BCCDRO Oc1cccc(Cl)c1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278114218 183292427 /nfs/dbraw/zinc/29/24/27/183292427.db2.gz AFQHGFFJQNNYSJ-PHIMTYICSA-N 1 0 243.690 0.583 20 10 BCCDRO Oc1cccc2c1[C@@H]([NH2+][C@@H]1COC[C@H]1O)CC2 ZINC000295831881 183297474 /nfs/dbraw/zinc/29/74/74/183297474.db2.gz CROSTDGPPBKYQL-HOSYDEDBSA-N 1 0 235.283 0.729 20 10 BCCDRO Oc1cccc2c1[C@H]([NH2+][C@@H]1COC[C@H]1O)CC2 ZINC000295831877 183298783 /nfs/dbraw/zinc/29/87/83/183298783.db2.gz CROSTDGPPBKYQL-CKYFFXLPSA-N 1 0 235.283 0.729 20 10 BCCDRO C[C@H]([NH2+]Cc1ccccc1O)C(=O)N(C)C ZINC000036794069 383908826 /nfs/dbraw/zinc/90/88/26/383908826.db2.gz UWQVQHJIYGUVOM-VIFPVBQESA-N 1 0 222.288 0.959 20 10 BCCDRO CC[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000042879566 384251433 /nfs/dbraw/zinc/25/14/33/384251433.db2.gz ALHMGGWBQMHKKK-SECBINFHSA-N 1 0 239.271 0.981 20 10 BCCDRO CS(=O)(=O)NCC[NH2+]Cc1ccccc1O ZINC000020203075 384599550 /nfs/dbraw/zinc/59/95/50/384599550.db2.gz LSCOCYRXFZFWQL-UHFFFAOYSA-N 1 0 244.316 0.031 20 10 BCCDRO CNC(=O)CC[NH2+]Cc1cccc(C)c1O ZINC000162832588 384693307 /nfs/dbraw/zinc/69/33/07/384693307.db2.gz BJMQZNDGVOGBIZ-UHFFFAOYSA-N 1 0 222.288 0.926 20 10 BCCDRO CNS(=O)(=O)CC[NH2+]Cc1ccccc1O ZINC000190309295 385229332 /nfs/dbraw/zinc/22/93/32/385229332.db2.gz RHRVKUATGJSOEI-UHFFFAOYSA-N 1 0 244.316 0.031 20 10 BCCDRO O=C1NC[C@H]2C[N@H+](Cc3ccccc3O)CCN12 ZINC000156063458 385433286 /nfs/dbraw/zinc/43/32/86/385433286.db2.gz MCMGGQMHTVHDBY-NSHDSACASA-N 1 0 247.298 0.602 20 10 BCCDRO C[N@H+](Cc1ccccc1O)CC(C)(CO)CO ZINC000271362588 385820718 /nfs/dbraw/zinc/82/07/18/385820718.db2.gz NVHDEJNMAKDUGS-UHFFFAOYSA-N 1 0 239.315 0.815 20 10 BCCDRO Nc1ccc(CC(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000368381932 386967473 /nfs/dbraw/zinc/96/74/73/386967473.db2.gz YWKKJPUMRCCHAQ-WCQYABFASA-N 1 0 245.326 0.632 20 10 BCCDRO CNC(=O)C[NH2+][C@H](C)c1cc(OC)ccc1O ZINC000037224810 173278275 /nfs/dbraw/zinc/27/82/75/173278275.db2.gz LNUKYBQHQFIFIR-MRVPVSSYSA-N 1 0 238.287 0.797 20 10 BCCDRO CNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000037224854 173278604 /nfs/dbraw/zinc/27/86/04/173278604.db2.gz BBYNHPCJYDLKRM-MRVPVSSYSA-N 1 0 208.261 0.789 20 10 BCCDRO COC[C@@H](O)C[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000297589496 174497286 /nfs/dbraw/zinc/49/72/86/174497286.db2.gz HOGJOCYCRLFWFJ-WDEREUQCSA-N 1 0 237.299 0.976 20 10 BCCDRO COc1ccc(O)c(C[NH2+][C@H](C)CO)c1 ZINC000035602238 175158824 /nfs/dbraw/zinc/15/88/24/175158824.db2.gz GOMMHQKSLPZWMO-MRVPVSSYSA-N 1 0 211.261 0.871 20 10 BCCDRO COc1cccc(CNC(=O)C[NH+](C)C)c1O ZINC000105649707 175262543 /nfs/dbraw/zinc/26/25/43/175262543.db2.gz JAUCYMLCKVEHLJ-UHFFFAOYSA-N 1 0 238.287 0.579 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1COCCN1 ZINC000530182263 323205737 /nfs/dbraw/zinc/20/57/37/323205737.db2.gz TUKUHFGNMZBFGJ-LLVKDONJSA-N 1 0 240.278 0.609 20 10 BCCDRO CN(C)c1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278434296 490295579 /nfs/dbraw/zinc/29/55/79/490295579.db2.gz UNDLDHHOWWYWCC-STQMWFEESA-N 1 0 236.315 0.290 20 10 BCCDRO C[C@@H]([NH3+])CNC(=O)N1Cc2cccc(O)c2C1 ZINC000892104034 582791554 /nfs/dbraw/zinc/79/15/54/582791554.db2.gz VDFIXEZPGGNJNF-MRVPVSSYSA-N 1 0 235.287 0.765 20 10 BCCDRO COC[C@H](CO)[NH2+]Cc1c(C)cccc1O ZINC000894616633 583495115 /nfs/dbraw/zinc/49/51/15/583495115.db2.gz GWJZQSQXGFJXJW-JTQLQIEISA-N 1 0 225.288 0.798 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+]C[C@@H]1COCO1 ZINC000894876719 583541616 /nfs/dbraw/zinc/54/16/16/583541616.db2.gz USKVMOXBSJNWDY-SNVBAGLBSA-N 1 0 227.235 0.994 20 10 BCCDRO COc1cccc(O)c1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895651318 583701376 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/nfs/dbraw/zinc/75/91/84/587759184.db2.gz NYCXYTGXKZDTAK-UHFFFAOYSA-N 1 0 245.326 0.847 20 10 BCCDRO COc1ccc(O)c(CN[C@@H]2CC[NH2+]C2)c1 ZINC000841044383 587939103 /nfs/dbraw/zinc/93/91/03/587939103.db2.gz DOUMLLCZIZNREB-SNVBAGLBSA-N 1 0 222.288 0.852 20 10 BCCDRO COc1cccc(O)c1CN[C@@H]1CC[NH2+]C1 ZINC000841044270 587939271 /nfs/dbraw/zinc/93/92/71/587939271.db2.gz BWIBJIOTVFNXGI-SECBINFHSA-N 1 0 222.288 0.852 20 10 BCCDRO CN(C)c1ccc(C[NH2+]C[C@@H]2CNCCO2)cc1 ZINC000841099605 587946388 /nfs/dbraw/zinc/94/63/88/587946388.db2.gz SPUKUVXJNFQEKN-AWEZNQCLSA-N 1 0 249.358 0.831 20 10 BCCDRO CN(C)c1ccc(C[NH2+]C[C@H]2CNCCO2)cc1 ZINC000841099606 587946731 /nfs/dbraw/zinc/94/67/31/587946731.db2.gz SPUKUVXJNFQEKN-CQSZACIVSA-N 1 0 249.358 0.831 20 10 BCCDRO Cc1cccc(C[NH2+]C[C@H]2CNCCO2)c1O ZINC000841098876 587946761 /nfs/dbraw/zinc/94/67/61/587946761.db2.gz JOIADKAINMFTSD-GFCCVEGCSA-N 1 0 236.315 0.779 20 10 BCCDRO [NH3+]C[C@@H](NC(=O)NCc1ccccc1O)C1CC1 ZINC000841945655 587986253 /nfs/dbraw/zinc/98/62/53/587986253.db2.gz BHCQVQCQRPOHQZ-LLVKDONJSA-N 1 0 249.314 0.929 20 10 BCCDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccccc1O ZINC000842752755 588059538 /nfs/dbraw/zinc/05/95/38/588059538.db2.gz UPEPJFVNAVPYNB-ZYHUDNBSSA-N 1 0 223.272 0.896 20 10 BCCDRO Cc1cccc(CN2CCO[C@H](C[NH3+])C2)c1O ZINC000843065902 588078768 /nfs/dbraw/zinc/07/87/68/588078768.db2.gz RDCVBFUKAMEKJV-GFCCVEGCSA-N 1 0 236.315 0.860 20 10 BCCDRO CCc1cccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)c1O ZINC000848887584 588417900 /nfs/dbraw/zinc/41/79/00/588417900.db2.gz ZOLRFDCQZOOHDU-TXEJJXNPSA-N 1 0 237.299 0.492 20 10 BCCDRO COc1ccc(O)c(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000849009086 588433988 /nfs/dbraw/zinc/43/39/88/588433988.db2.gz ZSSVTBLTBVAPJH-QMMMGPOBSA-N 1 0 235.287 0.838 20 10 BCCDRO C[C@@]1(NC(=O)Cc2ccc(N)cc2)CC[NH2+]C1 ZINC000852927232 588713786 /nfs/dbraw/zinc/71/37/86/588713786.db2.gz GHJSXGASTPAADF-CYBMUJFWSA-N 1 0 233.315 0.680 20 10 BCCDRO C[NH+](C)CC(=O)N1Cc2cccc(O)c2C1 ZINC000871200888 589744383 /nfs/dbraw/zinc/74/43/83/589744383.db2.gz LVDZLJFTHAUSKM-UHFFFAOYSA-N 1 0 220.272 0.796 20 10 BCCDRO CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(N)cc2)C1 ZINC000876504495 590204091 /nfs/dbraw/zinc/20/40/91/590204091.db2.gz OPSPBGYXSSABRD-DGCLKSJQSA-N 1 0 249.314 0.974 20 10 BCCDRO Nc1ccc(NC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000876504258 590204268 /nfs/dbraw/zinc/20/42/68/590204268.db2.gz LBSMNPXNXZMVBB-ZDUSSCGKSA-N 1 0 249.314 0.963 20 10 BCCDRO Cc1cccc(O)c1C[N@H+](C)CC(N)=O ZINC000876566352 590216790 /nfs/dbraw/zinc/21/67/90/590216790.db2.gz HOOMSKIUUFXQNJ-UHFFFAOYSA-N 1 0 208.261 0.618 20 10 BCCDRO Cc1cccc(O)c1C[N@@H+]1CCO[C@H](CO)C1 ZINC000876725744 590233223 /nfs/dbraw/zinc/23/32/23/590233223.db2.gz WPNRSTBVGQFELJ-NSHDSACASA-N 1 0 237.299 0.894 20 10 BCCDRO Cc1ccc(C[NH2+]C2(C(N)=O)CC2)c(O)c1 ZINC000877323091 590316996 /nfs/dbraw/zinc/31/69/96/590316996.db2.gz IDKLDGSGBRKHGG-UHFFFAOYSA-N 1 0 220.272 0.808 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1ccc(C)cc1O ZINC000877505353 590343045 /nfs/dbraw/zinc/34/30/45/590343045.db2.gz RZNAGKVLLDLDTB-NSHDSACASA-N 1 0 225.288 0.798 20 10 BCCDRO CC[N@H+](CC(=O)NC)Cc1ccccc1O ZINC000132676320 591729313 /nfs/dbraw/zinc/72/93/13/591729313.db2.gz AMICWYVZAXNNSP-UHFFFAOYSA-N 1 0 222.288 0.960 20 10 BCCDRO Cc1cccc(C[NH2+][C@@H]2COC[C@@H]2O)c1O ZINC000134415482 591926473 /nfs/dbraw/zinc/92/64/73/591926473.db2.gz NHEYCSZIVFXBQX-MNOVXSKESA-N 1 0 223.272 0.550 20 10 BCCDRO O[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C[C@@H]1O ZINC000886243183 592183851 /nfs/dbraw/zinc/18/38/51/592183851.db2.gz QKGJLWIBXDAWKV-XYYAHUGASA-N 1 0 249.310 0.595 20 10 BCCDRO C[NH2+]CC(=O)NCc1ccc(N(C)C)cc1C ZINC000237240644 636080813 /nfs/dbraw/zinc/08/08/13/636080813.db2.gz PLRROQILAWOXCT-UHFFFAOYSA-N 1 0 235.331 0.897 20 10 BCCDRO [NH3+][C@H](CC(F)F)C(=O)NCc1ccccc1O ZINC000310067447 634068537 /nfs/dbraw/zinc/06/85/37/634068537.db2.gz CCBVHYHQVZSYHN-MRVPVSSYSA-N 1 0 244.241 0.991 20 10 BCCDRO CN(C(=O)[C@@H]1CCC[NH2+]1)c1ccc(N)cc1 ZINC000221257697 636695068 /nfs/dbraw/zinc/69/50/68/636695068.db2.gz AUQIADGDTJIZNY-NSHDSACASA-N 1 0 219.288 0.984 20 10 BCCDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cc(F)ccc1O ZINC000323379727 636924958 /nfs/dbraw/zinc/92/49/58/636924958.db2.gz GSWIYNQCOMOINU-KOLSJAJHSA-N 1 0 241.262 0.942 20 10 BCCDRO [NH3+]C[C@H]1CN(Cc2cc(F)ccc2O)CCO1 ZINC000229019298 640912229 /nfs/dbraw/zinc/91/22/29/640912229.db2.gz DCEPCIFYQLLGNJ-NSHDSACASA-N 1 0 240.278 0.691 20 10 BCCDRO NC(=O)CN1CCCc2cc(C[NH3+])ccc21 ZINC000062801563 641091805 /nfs/dbraw/zinc/09/18/05/641091805.db2.gz SHVTWIIDNXUXMB-UHFFFAOYSA-N 1 0 219.288 0.383 20 10 BCCDRO COc1ccc(O)c([C@@H](C)[NH2+]C[C@H](O)CO)c1 ZINC000090282804 643131456 /nfs/dbraw/zinc/13/14/56/643131456.db2.gz NFKXNRKCQDRJDQ-BDAKNGLRSA-N 1 0 241.287 0.405 20 10 BCCDRO COc1ccc(CNC(=O)[C@H](C)[NH3+])c(O)c1 ZINC000083353188 644403911 /nfs/dbraw/zinc/40/39/11/644403911.db2.gz UQPSNPQYMKXMEQ-ZETCQYMHSA-N 1 0 224.260 0.364 20 10 BCCDRO Nc1ccc(CC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000834407948 645141729 /nfs/dbraw/zinc/14/17/29/645141729.db2.gz HLUJWRMIOYWMBD-GFCCVEGCSA-N 1 0 233.315 0.665 20 10 BCCDRO Cc1cccc(O)c1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000877650360 645805955 /nfs/dbraw/zinc/80/59/55/645805955.db2.gz JZCNZHBEUZUWAJ-RYUDHWBXSA-N 1 0 223.272 0.238 20 10 BCCDRO C[C@@H]([NH2+]CC(N)=O)c1ccc(N(C)C)cc1 ZINC000037183905 712553084 /nfs/dbraw/zinc/55/30/84/712553084.db2.gz BCKZTFOVJDZJDO-SECBINFHSA-N 1 0 221.304 0.889 20 10 BCCDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000717361239 712652248 /nfs/dbraw/zinc/65/22/48/712652248.db2.gz UPQGWTOEMGOSDH-HQJQHLMTSA-N 1 0 245.706 0.877 20 10 BCCDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2O)C1 ZINC000386349259 711027579 /nfs/dbraw/zinc/02/75/79/711027579.db2.gz UKTVRQBAEQVTCO-LLVKDONJSA-N 1 0 234.299 0.960 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)C1(C)C[NH2+]C1 ZINC000399240924 711746027 /nfs/dbraw/zinc/74/60/27/711746027.db2.gz MLJCGYAHUANAQF-UHFFFAOYSA-N 1 0 234.299 0.960 20 10 BCCDRO [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccccc1O ZINC000703157343 712066455 /nfs/dbraw/zinc/06/64/55/712066455.db2.gz BZNMOVHUVPWKIO-KOLCDFICSA-N 1 0 236.271 0.125 20 10 BCCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)c1O ZINC000187670874 179083919 /nfs/dbraw/zinc/08/39/19/179083919.db2.gz KTTRTRYTIRGQTG-RYUDHWBXSA-N 1 0 237.299 0.628 20 10 BCCDRO [NH3+][C@@H]1CC=C(C(=O)N2CCCn3nccc32)C1 ZINC000638275818 352113295 /nfs/dbraw/zinc/11/32/95/352113295.db2.gz KIPFSMHKPJYHQB-SNVBAGLBSA-N 1 0 232.287 0.667 20 10 BCCDRO [O-]c1c(Cl)cccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278388407 188204065 /nfs/dbraw/zinc/20/40/65/188204065.db2.gz MPFJBYLKYPBVTD-AOOOYVTPSA-N 1 0 243.690 0.583 20 10 BCCDRO OCC(CO)[NH2+]Cc1c(O)cccc1Cl ZINC000090736075 183033401 /nfs/dbraw/zinc/03/34/01/183033401.db2.gz OUCSIZHYSGFMBU-UHFFFAOYSA-N 1 0 231.679 0.488 20 10 BCCDRO OC[C@]1([NH2+]Cc2ccc3c(c2)CCO3)CCOC1 ZINC000184190201 183159278 /nfs/dbraw/zinc/15/92/78/183159278.db2.gz RHGIYMLCPNNMHG-CQSZACIVSA-N 1 0 249.310 0.863 20 10 BCCDRO Oc1ccc(F)cc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000294662501 183275402 /nfs/dbraw/zinc/27/54/02/183275402.db2.gz AGWZXYIKUYKKOV-NSHDSACASA-N 1 0 241.262 0.724 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+]C[C@]1(O)CCOC1 ZINC000180876821 183275743 /nfs/dbraw/zinc/27/57/43/183275743.db2.gz IUTUHGQGMRSNKS-GFCCVEGCSA-N 1 0 241.262 0.772 20 10 BCCDRO Oc1cccc(Cl)c1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278114214 183293006 /nfs/dbraw/zinc/29/30/06/183293006.db2.gz AFQHGFFJQNNYSJ-GHMZBOCLSA-N 1 0 243.690 0.583 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]CC(=O)N(C)C)c1 ZINC000070955146 384142691 /nfs/dbraw/zinc/14/26/91/384142691.db2.gz BJDRSZLWTLFPPC-UHFFFAOYSA-N 1 0 222.288 0.878 20 10 BCCDRO CN(C)c1ccc(CNC(=O)C2([NH3+])CC2)cc1 ZINC000083360034 384764965 /nfs/dbraw/zinc/76/49/65/384764965.db2.gz VQSNFWPNBMCPLU-UHFFFAOYSA-N 1 0 233.315 0.860 20 10 BCCDRO O=C1NC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@@H]12 ZINC000367940005 384965183 /nfs/dbraw/zinc/96/51/83/384965183.db2.gz BIYGSUGMJMJKDB-NWDGAFQWSA-N 1 0 246.310 0.960 20 10 BCCDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1ccccc1O ZINC000289909817 385700282 /nfs/dbraw/zinc/70/02/82/385700282.db2.gz UPEPJFVNAVPYNB-JQWIXIFHSA-N 1 0 223.272 0.896 20 10 BCCDRO C[N@H+](CCOCCO)Cc1cc(F)ccc1O ZINC000282841884 385790486 /nfs/dbraw/zinc/79/04/86/385790486.db2.gz VRTIFQWTNHBCSV-UHFFFAOYSA-N 1 0 243.278 0.972 20 10 BCCDRO C[C@@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc(N)cc1 ZINC000289206574 386272436 /nfs/dbraw/zinc/27/24/36/386272436.db2.gz KBQHROZASPTYAY-BXKDBHETSA-N 1 0 233.315 0.759 20 10 BCCDRO CC[N@H+](CC(N)=O)Cc1ccccc1O ZINC000188466276 386690469 /nfs/dbraw/zinc/69/04/69/386690469.db2.gz IYJRLUIDKVRKGI-UHFFFAOYSA-N 1 0 208.261 0.699 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1cc(OC)ccc1O ZINC000036780264 170065177 /nfs/dbraw/zinc/06/51/77/170065177.db2.gz LGIGYGWDXCUAGE-UHFFFAOYSA-N 1 0 238.287 0.627 20 10 BCCDRO CNC(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000087728084 173277296 /nfs/dbraw/zinc/27/72/96/173277296.db2.gz RPCDXZNQPUNEJV-UHFFFAOYSA-N 1 0 224.260 0.236 20 10 BCCDRO CNC(=O)C[NH2+][C@@H](C)c1cc(OC)ccc1O ZINC000037224809 173277304 /nfs/dbraw/zinc/27/73/04/173277304.db2.gz LNUKYBQHQFIFIR-QMMMGPOBSA-N 1 0 238.287 0.797 20 10 BCCDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000042342203 173302920 /nfs/dbraw/zinc/30/29/20/173302920.db2.gz CUERFUZXXPLQFW-VIFPVBQESA-N 1 0 234.299 0.846 20 10 BCCDRO C[NH2+]CCNCc1ccc2c(c1)CCO2 ZINC000161267856 173355809 /nfs/dbraw/zinc/35/58/09/173355809.db2.gz XPJSZNXFPXMXAP-UHFFFAOYSA-N 1 0 206.289 0.931 20 10 BCCDRO COc1ccc(O)c(C[N@H+](C)CCC(N)=O)c1 ZINC000289699073 175157779 /nfs/dbraw/zinc/15/77/79/175157779.db2.gz ONNUCPQFCLHKFJ-UHFFFAOYSA-N 1 0 238.287 0.708 20 10 BCCDRO COc1ccc(O)c([C@@H](C)[NH2+]CC(N)=O)c1 ZINC000021962321 175160499 /nfs/dbraw/zinc/16/04/99/175160499.db2.gz BBVKDYHQOBILBH-SSDOTTSWSA-N 1 0 224.260 0.537 20 10 BCCDRO COc1ccc(O)c([C@H](C)[NH2+][C@@H](C)C(N)=O)c1 ZINC000035793362 175160769 /nfs/dbraw/zinc/16/07/69/175160769.db2.gz FTODPOQUKQHEHP-YUMQZZPRSA-N 1 0 238.287 0.925 20 10 BCCDRO COc1cccc(C[N@H+](C)CCO)c1O ZINC000127925880 175256200 /nfs/dbraw/zinc/25/62/00/175256200.db2.gz REOMGXQVKGALDP-UHFFFAOYSA-N 1 0 211.261 0.825 20 10 BCCDRO COc1cccc(C[NH2+]CCOCCO)c1O ZINC000020198711 175264878 /nfs/dbraw/zinc/26/48/78/175264878.db2.gz JAECZQKRUMMOPW-UHFFFAOYSA-N 1 0 241.287 0.499 20 10 BCCDRO C[NH2+]C[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000853249297 588728833 /nfs/dbraw/zinc/72/88/33/588728833.db2.gz PEXFQDVHIHBNCR-QMMMGPOBSA-N 1 0 238.287 0.818 20 10 BCCDRO O=C(N[C@H]1CC[NH2+]C1)N1Cc2cccc(O)c2C1 ZINC000892003348 582759123 /nfs/dbraw/zinc/75/91/23/582759123.db2.gz WGHGAIINZSIQKR-JTQLQIEISA-N 1 0 247.298 0.779 20 10 BCCDRO COc1ccc(CNC2=[NH+]CCN2C)c(O)c1 ZINC000849024900 582830464 /nfs/dbraw/zinc/83/04/64/582830464.db2.gz FDPLACLFXQSPLC-UHFFFAOYSA-N 1 0 235.287 0.792 20 10 BCCDRO CC1([NH2+]Cc2cc3c(cc2O)OCO3)COC1 ZINC000877691041 583342454 /nfs/dbraw/zinc/34/24/54/583342454.db2.gz IQVVRUWWLIPGJO-UHFFFAOYSA-N 1 0 237.255 0.999 20 10 BCCDRO Oc1ccccc1C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000895649657 583700077 /nfs/dbraw/zinc/70/00/77/583700077.db2.gz RSEQYIBBEMQSBI-ZYHUDNBSSA-N 1 0 205.257 0.959 20 10 BCCDRO COc1cccc(O)c1C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000895651321 583701069 /nfs/dbraw/zinc/70/10/69/583701069.db2.gz ZVCNRAVMSXOBBP-ZANVPECISA-N 1 0 235.283 0.967 20 10 BCCDRO COc1ccc(O)c(C[N@@H+]2C[C@H]3C[C@@]3(O)C2)c1 ZINC000895651908 583703405 /nfs/dbraw/zinc/70/34/05/583703405.db2.gz DFTJMMXXIJXDQA-ZWNOBZJWSA-N 1 0 235.283 0.967 20 10 BCCDRO C[NH2+]CCCNC(=O)NCc1ccccc1O ZINC000841915493 583917114 /nfs/dbraw/zinc/91/71/14/583917114.db2.gz QRGSQUJPDFUYCP-UHFFFAOYSA-N 1 0 237.303 0.801 20 10 BCCDRO CON(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1O ZINC000858320265 588944995 /nfs/dbraw/zinc/94/49/95/588944995.db2.gz RKBHBXMLOFWMCF-VIFPVBQESA-N 1 0 238.287 0.890 20 10 BCCDRO [NH3+]CCN(CCO)Cc1c(O)cccc1Cl ZINC000841059842 584126210 /nfs/dbraw/zinc/12/62/10/584126210.db2.gz XVHMWYDUEJGSQV-UHFFFAOYSA-N 1 0 244.722 0.799 20 10 BCCDRO COc1ccc(O)c(C[NH2+][C@H]2CNOC2)c1 ZINC000904425157 584881124 /nfs/dbraw/zinc/88/11/24/584881124.db2.gz AQDTZMNYAGWTQY-VIFPVBQESA-N 1 0 224.260 0.394 20 10 BCCDRO Cc1ccc(O)c(C[NH2+][C@H]2CNOC2)c1 ZINC000904427202 584881525 /nfs/dbraw/zinc/88/15/25/584881525.db2.gz REDLKNPVAAFHCY-JTQLQIEISA-N 1 0 208.261 0.694 20 10 BCCDRO Cc1ccc(O)c(C[NH2+][C@@H]2CNOC2)c1 ZINC000904421769 584882502 /nfs/dbraw/zinc/88/25/02/584882502.db2.gz REDLKNPVAAFHCY-SNVBAGLBSA-N 1 0 208.261 0.694 20 10 BCCDRO O=C1N=NC2CN(Cc3ccccc3O)CCN12 ZINC000761511904 585416728 /nfs/dbraw/zinc/41/67/28/585416728.db2.gz UILKLUWRPNLBQF-UHFFFAOYSA-N 1 0 246.270 0.705 20 10 BCCDRO CC(=O)C(=O)COC(=O)CN1[C@H](C)CC[C@@H]1C ZINC000808544360 586478854 /nfs/dbraw/zinc/47/88/54/586478854.db2.gz YYBRHDVFYHFCJM-DTORHVGOSA-N 1 0 241.287 0.561 20 10 BCCDRO Oc1ccccc1C[N@H+]1CCOC[C@H](O)C1 ZINC000824625615 587279657 /nfs/dbraw/zinc/27/96/57/587279657.db2.gz LPSHJRFCSDMYJK-LLVKDONJSA-N 1 0 223.272 0.585 20 10 BCCDRO CC(=O)NC[C@@H]([NH3+])c1ccc(N(C)C)cc1 ZINC000832284065 587653197 /nfs/dbraw/zinc/65/31/97/587653197.db2.gz HGWSXBRIWCDXFV-GFCCVEGCSA-N 1 0 221.304 0.889 20 10 BCCDRO Nc1ccc(CCNC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000832659033 587674519 /nfs/dbraw/zinc/67/45/19/587674519.db2.gz HYAVRKSNXVTWAT-LBPRGKRZSA-N 1 0 247.342 0.927 20 10 BCCDRO CC(C)([NH3+])CNC(=O)Cc1ccc(N)cc1 ZINC000832800948 587690918 /nfs/dbraw/zinc/69/09/18/587690918.db2.gz GEWPPTVHPDEDBF-UHFFFAOYSA-N 1 0 221.304 0.665 20 10 BCCDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834642831 587762496 /nfs/dbraw/zinc/76/24/96/587762496.db2.gz SXWYQLYSAFKVTQ-GXFFZTMASA-N 1 0 247.342 0.926 20 10 BCCDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000834822941 587767808 /nfs/dbraw/zinc/76/78/08/587767808.db2.gz ZYHSQENWIYFXEY-BDAKNGLRSA-N 1 0 221.304 0.663 20 10 BCCDRO COCC[NH2+]CCNCc1cc(F)ccc1O ZINC000841048764 587939657 /nfs/dbraw/zinc/93/96/57/587939657.db2.gz TZHXBUOIQIAMAL-UHFFFAOYSA-N 1 0 242.294 0.857 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]C[C@H]2CNCCO2)c1 ZINC000841099271 587946421 /nfs/dbraw/zinc/94/64/21/587946421.db2.gz OBKSBSGOWCYWKT-GFCCVEGCSA-N 1 0 236.315 0.779 20 10 BCCDRO CN(CC[NH3+])Cc1ccc(N2CCOCC2)cc1 ZINC000841099039 587946560 /nfs/dbraw/zinc/94/65/60/587946560.db2.gz BRJDRDGULSRHJJ-UHFFFAOYSA-N 1 0 249.358 0.914 20 10 BCCDRO CC[NH2+]CC(=O)NCc1ccc(OC)cc1O ZINC000843500259 588116378 /nfs/dbraw/zinc/11/63/78/588116378.db2.gz TUPQIBFQROFAPN-UHFFFAOYSA-N 1 0 238.287 0.627 20 10 BCCDRO Nc1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000852790931 588702952 /nfs/dbraw/zinc/70/29/52/588702952.db2.gz VXFNCDNYYLTFGO-QWRGUYRKSA-N 1 0 235.287 0.571 20 10 BCCDRO C[NH2+]C[C@H](C)NC(=O)Cc1ccc(N)cc1 ZINC000852919923 588713347 /nfs/dbraw/zinc/71/33/47/588713347.db2.gz FEUBURVKPMBLMV-VIFPVBQESA-N 1 0 221.304 0.535 20 10 BCCDRO OCC[NH+](CCO)Cc1cc(F)ccc1O ZINC000862429772 589212503 /nfs/dbraw/zinc/21/25/03/589212503.db2.gz KCELHPVYEFBXSG-UHFFFAOYSA-N 1 0 229.251 0.318 20 10 BCCDRO CN(C[C@@H]1C[NH2+]CCO1)c1ccc(N)cc1 ZINC000863558223 589299114 /nfs/dbraw/zinc/29/91/14/589299114.db2.gz AGRBRBKOLDMIHP-LBPRGKRZSA-N 1 0 221.304 0.693 20 10 BCCDRO OCC1([NH2+]Cc2cc3c(cc2O)OCO3)CC1 ZINC000120393292 589408999 /nfs/dbraw/zinc/40/89/99/589408999.db2.gz NAVSRJLYMUVAAT-UHFFFAOYSA-N 1 0 237.255 0.735 20 10 BCCDRO Cc1nc(N)nc(N2Cc3cccc(O)c3C2)n1 ZINC000866117130 589477344 /nfs/dbraw/zinc/47/73/44/589477344.db2.gz GOJIWLDJQBKEEY-UHFFFAOYSA-N 1 0 243.270 0.988 20 10 BCCDRO C[NH2+]CCCNC(=O)Cc1ccc(N)cc1 ZINC000121065675 589492132 /nfs/dbraw/zinc/49/21/32/589492132.db2.gz YCCDVKDZKMNAKS-UHFFFAOYSA-N 1 0 221.304 0.537 20 10 BCCDRO C[C@@H](NC(=O)[C@@H]1C[C@@H]1[NH3+])c1ccccc1O ZINC000870988569 589707012 /nfs/dbraw/zinc/70/70/12/589707012.db2.gz SSVAPLJSXWUMQW-QNSHHTMESA-N 1 0 220.272 0.917 20 10 BCCDRO CC[NH2+][C@@H](C)C(=O)NCCc1ccc(N)cc1 ZINC000876527460 590208931 /nfs/dbraw/zinc/20/89/31/590208931.db2.gz GJKQBWGZGYGVRW-JTQLQIEISA-N 1 0 235.331 0.926 20 10 BCCDRO CN(C(=O)[C@]1(C)C[NH2+]CCO1)c1ccc(N)cc1 ZINC000877074477 590278244 /nfs/dbraw/zinc/27/82/44/590278244.db2.gz LLVHLWCMZGUDAP-ZDUSSCGKSA-N 1 0 249.314 0.610 20 10 BCCDRO CN(C(=O)C1=NO[C@@H](C[NH3+])C1)c1ccc(N)cc1 ZINC000877074417 590278326 /nfs/dbraw/zinc/27/83/26/590278326.db2.gz JJGIISYCEALLCD-SNVBAGLBSA-N 1 0 248.286 0.335 20 10 BCCDRO CN(C(=O)COCC[NH3+])c1ccc(N)cc1 ZINC000877078928 590279238 /nfs/dbraw/zinc/27/92/38/590279238.db2.gz JYWYWYPNVKTDSC-UHFFFAOYSA-N 1 0 223.276 0.207 20 10 BCCDRO Cc1ccc(C[NH2+][C@]2(CO)CCOC2)c(O)c1 ZINC000877335668 590318026 /nfs/dbraw/zinc/31/80/26/590318026.db2.gz KGSSXLGCDWJUDN-ZDUSSCGKSA-N 1 0 237.299 0.942 20 10 BCCDRO COC[C@@H](O)C[NH2+]Cc1c(C)cccc1O ZINC000877505572 590342784 /nfs/dbraw/zinc/34/27/84/590342784.db2.gz VZFFBVJAWTZXNX-JTQLQIEISA-N 1 0 225.288 0.798 20 10 BCCDRO CNC(=O)C[N@H+](C)Cc1c(C)cccc1O ZINC000877642639 590382705 /nfs/dbraw/zinc/38/27/05/590382705.db2.gz PFOFNUZPOHCDAW-UHFFFAOYSA-N 1 0 222.288 0.878 20 10 BCCDRO C[C@H]([NH2+]CCn1cnnn1)c1ccccc1O ZINC000879650377 590843230 /nfs/dbraw/zinc/84/32/30/590843230.db2.gz XPQIZBVRBUSKKC-VIFPVBQESA-N 1 0 233.275 0.730 20 10 BCCDRO COC[C@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883107738 591540625 /nfs/dbraw/zinc/54/06/25/591540625.db2.gz ISEUIEANKLKMQE-VIFPVBQESA-N 1 0 241.287 0.498 20 10 BCCDRO COc1cccc(C[NH2+][C@H](C)CC(N)=O)c1O ZINC000161579083 632091762 /nfs/dbraw/zinc/09/17/62/632091762.db2.gz YRLBVHKDQMWCNR-MRVPVSSYSA-N 1 0 238.287 0.754 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1c(O)cccc1OC ZINC000725841609 632768776 /nfs/dbraw/zinc/76/87/76/632768776.db2.gz JFBZLQNKXVRCRR-UHFFFAOYSA-N 1 0 238.287 0.627 20 10 BCCDRO Oc1ccc(F)cc1C[NH2+][C@H]1COC[C@H]1O ZINC000309507214 633181248 /nfs/dbraw/zinc/18/12/48/633181248.db2.gz NQXOPWVPXBBABI-GXSJLCMTSA-N 1 0 227.235 0.381 20 10 BCCDRO O=C(NCc1ccccc1O)N[C@H]1CC[NH2+]C1 ZINC000258340218 635117754 /nfs/dbraw/zinc/11/77/54/635117754.db2.gz ZDNHEQRKNVLNDH-JTQLQIEISA-N 1 0 235.287 0.553 20 10 BCCDRO OCC(CO)[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000258646260 635180285 /nfs/dbraw/zinc/18/02/85/635180285.db2.gz GDCNAZMGFBLLTM-UHFFFAOYSA-N 1 0 237.299 0.454 20 10 BCCDRO C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1O ZINC000162967490 635269559 /nfs/dbraw/zinc/26/95/59/635269559.db2.gz GKILEMWBSWABMW-IUCAKERBSA-N 1 0 222.288 0.992 20 10 BCCDRO COc1cccc(CNC2=[NH+]CCCN2)c1O ZINC000303402849 636309338 /nfs/dbraw/zinc/30/93/38/636309338.db2.gz NMQIOISNEHNIFB-UHFFFAOYSA-N 1 0 235.287 0.840 20 10 BCCDRO COc1ccc(O)c(CN(C)CC[NH3+])c1 ZINC000054417046 636635989 /nfs/dbraw/zinc/63/59/89/636635989.db2.gz KJGZUQAOYKMTSH-UHFFFAOYSA-N 1 0 210.277 0.791 20 10 BCCDRO O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCO2 ZINC000323203641 636907029 /nfs/dbraw/zinc/90/70/29/636907029.db2.gz UXYKPZYIIBVNNW-NWDGAFQWSA-N 1 0 235.283 0.471 20 10 BCCDRO C[NH2+]C1CC(C(=O)NCCc2ccc(N)cc2)C1 ZINC000911782709 639800257 /nfs/dbraw/zinc/80/02/57/639800257.db2.gz LHQXWZVPLDYKQH-UHFFFAOYSA-N 1 0 247.342 0.926 20 10 BCCDRO C[C@H]([NH2+][C@@H](C)c1ccccc1O)C(N)=O ZINC000035793672 639947136 /nfs/dbraw/zinc/94/71/36/639947136.db2.gz PKCKPEDHGGCMQK-YUMQZZPRSA-N 1 0 208.261 0.917 20 10 BCCDRO C[C@@H](O)[C@H](O)C[NH2+][C@H](C)c1ccccc1O ZINC000931555206 640273651 /nfs/dbraw/zinc/27/36/51/640273651.db2.gz VFCKCBQABNESJO-KBVBSXBZSA-N 1 0 225.288 0.785 20 10 BCCDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(F)ccc1O ZINC000226615824 640780418 /nfs/dbraw/zinc/78/04/18/640780418.db2.gz PUWHTUGVNGOLGA-SSDOTTSWSA-N 1 0 226.251 0.885 20 10 BCCDRO C[C@H](C(N)=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000062801598 641090793 /nfs/dbraw/zinc/09/07/93/641090793.db2.gz XSKTWIDIZUREAE-SECBINFHSA-N 1 0 233.315 0.772 20 10 BCCDRO Nc1ccc(CC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000238117486 642784577 /nfs/dbraw/zinc/78/45/77/642784577.db2.gz JFEQTAVXXOVEOD-GFCCVEGCSA-N 1 0 233.315 0.680 20 10 BCCDRO Nc1ccc(CC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000238118416 642784699 /nfs/dbraw/zinc/78/46/99/642784699.db2.gz JFEQTAVXXOVEOD-LBPRGKRZSA-N 1 0 233.315 0.680 20 10 BCCDRO Nc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000238140597 642787963 /nfs/dbraw/zinc/78/79/63/642787963.db2.gz HZWFHUFSQYYEQA-LBPRGKRZSA-N 1 0 249.314 0.976 20 10 BCCDRO COC[C@@](C)(O)C[NH2+]Cc1ccccc1O ZINC000069912944 642935682 /nfs/dbraw/zinc/93/56/82/642935682.db2.gz IUFVGKGDTITLSO-LBPRGKRZSA-N 1 0 225.288 0.879 20 10 BCCDRO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccccc1O ZINC000085246042 643698485 /nfs/dbraw/zinc/69/84/85/643698485.db2.gz YYKTVORTIFKDIU-RKDXNWHRSA-N 1 0 211.261 0.396 20 10 BCCDRO O[C@@H]1COC[C@@H]1[NH2+]Cc1ccc2c(c1)CCCO2 ZINC000922299819 643960355 /nfs/dbraw/zinc/96/03/55/643960355.db2.gz SEGFWXVCDBHRBG-QWHCGFSZSA-N 1 0 249.310 0.861 20 10 BCCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@H]1CNCCO1)CC2 ZINC000817983593 644994972 /nfs/dbraw/zinc/99/49/72/644994972.db2.gz OMTWGRLFIQZBRJ-NEPJUHHUSA-N 1 0 248.326 0.958 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000843390489 645288127 /nfs/dbraw/zinc/28/81/27/645288127.db2.gz XMYFAZAKKBWPLC-PJXYFTJBSA-N 1 0 246.310 0.816 20 10 BCCDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2cc(F)ccc2O)C1 ZINC000846047102 645394190 /nfs/dbraw/zinc/39/41/90/645394190.db2.gz TUOHTXOUOWJONL-WKFQBHICSA-N 1 0 238.262 0.885 20 10 BCCDRO COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1O ZINC000846053792 645394706 /nfs/dbraw/zinc/39/47/06/645394706.db2.gz WXQACXVQPYYAHD-VXGBXAGGSA-N 1 0 237.299 0.974 20 10 BCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1c(O)cccc1Cl ZINC000717361241 712652278 /nfs/dbraw/zinc/65/22/78/712652278.db2.gz UPQGWTOEMGOSDH-RDDDGLTNSA-N 1 0 245.706 0.877 20 10 BCCDRO C[C@H]([NH2+][C@H]1CCNC1=O)c1ccccc1O ZINC000381328648 710622557 /nfs/dbraw/zinc/62/25/57/710622557.db2.gz SCRLTYWXDCFJAL-WPRPVWTQSA-N 1 0 220.272 0.931 20 10 BCCDRO COc1ccc(O)c(C[NH2+]C[C@H]2COCO2)c1 ZINC000894876005 711774139 /nfs/dbraw/zinc/77/41/39/711774139.db2.gz LOECNTQISVMRON-NSHDSACASA-N 1 0 239.271 0.863 20 10 BCCDRO C[NH+](C)CC(=O)NCc1c(O)cccc1F ZINC000928710328 711786182 /nfs/dbraw/zinc/78/61/82/711786182.db2.gz BKWFFCDCUXBBHK-UHFFFAOYSA-N 1 0 226.251 0.709 20 10 BCCDRO C[C@@H]([NH2+]C[C@H](O)CN(C)C)c1ccccc1O ZINC000717276465 712642251 /nfs/dbraw/zinc/64/22/51/712642251.db2.gz FXCAFRMHTHOCNF-MNOVXSKESA-N 1 0 238.331 0.965 20 10 BCCDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000717388565 712653245 /nfs/dbraw/zinc/65/32/45/712653245.db2.gz QVRVSNLKTNKYRS-BXKDBHETSA-N 1 0 237.299 0.453 20 10 BCCDRO Cc1cccc(C[N@@H+]2CCOC[C@H](O)C2)c1O ZINC000294774518 179078858 /nfs/dbraw/zinc/07/88/58/179078858.db2.gz KOLTYAHAZFJABP-GFCCVEGCSA-N 1 0 237.299 0.894 20 10 BCCDRO Cc1cccc(C[N@@H+]2C[C@@H](O)C[C@@H]2CO)c1O ZINC000359973369 179085236 /nfs/dbraw/zinc/08/52/36/179085236.db2.gz KTTRTRYTIRGQTG-NEPJUHHUSA-N 1 0 237.299 0.628 20 10 BCCDRO Cc1cccc(C[NH2+]CCOCCO)c1O ZINC000083353990 179092796 /nfs/dbraw/zinc/09/27/96/179092796.db2.gz STBSZQYNZPRXMW-UHFFFAOYSA-N 1 0 225.288 0.799 20 10 BCCDRO Cc1cccc(C[NH2+]C[C@]2(O)CCOC2)c1O ZINC000224917629 179093951 /nfs/dbraw/zinc/09/39/51/179093951.db2.gz BSJYLCVKVSEPIN-CYBMUJFWSA-N 1 0 237.299 0.942 20 10 BCCDRO NC(=O)[C@@H]1C[N@H+](Cc2ccccc2O)CCO1 ZINC000179566462 181272420 /nfs/dbraw/zinc/27/24/20/181272420.db2.gz WWTRFKQTVIVXKR-NSHDSACASA-N 1 0 236.271 0.078 20 10 BCCDRO NC(=O)[C@H]1CC[N@H+](Cc2ccccc2O)C1 ZINC000183293763 181283241 /nfs/dbraw/zinc/28/32/41/181283241.db2.gz WFWJKAIVAOGUBP-JTQLQIEISA-N 1 0 220.272 0.699 20 10 BCCDRO OCCOCCC[NH2+]Cc1ccccc1O ZINC000134669612 183082915 /nfs/dbraw/zinc/08/29/15/183082915.db2.gz NJZXCMXLJZIZNK-UHFFFAOYSA-N 1 0 225.288 0.881 20 10 BCCDRO Oc1ccc(F)cc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278329644 183274410 /nfs/dbraw/zinc/27/44/10/183274410.db2.gz HAXZYUNRSVUSTN-QWRGUYRKSA-N 1 0 227.235 0.069 20 10 BCCDRO O=C1NC[C@H]2C[N@H+](Cc3ccccc3O)CC[C@H]12 ZINC000367940006 384967738 /nfs/dbraw/zinc/96/77/38/384967738.db2.gz BIYGSUGMJMJKDB-RYUDHWBXSA-N 1 0 246.310 0.960 20 10 BCCDRO CN1CCCc2cc(CNC(=O)C[NH3+])ccc21 ZINC000166477036 385247493 /nfs/dbraw/zinc/24/74/93/385247493.db2.gz OQFIHOABQOIKMT-UHFFFAOYSA-N 1 0 233.315 0.644 20 10 BCCDRO O=C1CC[N@H+](Cc2cc(F)ccc2O)CCN1 ZINC000180078473 385505932 /nfs/dbraw/zinc/50/59/32/385505932.db2.gz YCSUMAZQMVPREX-UHFFFAOYSA-N 1 0 238.262 0.853 20 10 BCCDRO OCCC[N@H+](CCO)Cc1cc(F)ccc1O ZINC000272244977 385888214 /nfs/dbraw/zinc/88/82/14/385888214.db2.gz HHNFHATWMLTLCF-UHFFFAOYSA-N 1 0 243.278 0.708 20 10 BCCDRO COC[C@H](CO)[NH2+]Cc1ccc2c(c1)CCO2 ZINC000234802012 386100644 /nfs/dbraw/zinc/10/06/44/386100644.db2.gz AIHJENJWBAKCGE-LBPRGKRZSA-N 1 0 237.299 0.718 20 10 BCCDRO C[NH+](C)CC(=O)NCc1ccc(O)c(O)c1 ZINC000276008833 386260921 /nfs/dbraw/zinc/26/09/21/386260921.db2.gz PXXPESPECMDQKQ-UHFFFAOYSA-N 1 0 224.260 0.276 20 10 BCCDRO C[C@H]1[C@H]([NH3+])CCN1C(=O)Cc1ccc(N)cc1 ZINC000289206580 386272704 /nfs/dbraw/zinc/27/27/04/386272704.db2.gz KBQHROZASPTYAY-JOYOIKCWSA-N 1 0 233.315 0.759 20 10 BCCDRO C[C@@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc(N)cc1 ZINC000289206584 386273306 /nfs/dbraw/zinc/27/33/06/386273306.db2.gz KBQHROZASPTYAY-SKDRFNHKSA-N 1 0 233.315 0.759 20 10 BCCDRO COC[C@@H](CO)[NH2+][C@@H]1CCc2cccc(O)c21 ZINC000296568726 133670242 /nfs/dbraw/zinc/67/02/42/133670242.db2.gz UXMNTZRHXUBYLI-GHMZBOCLSA-N 1 0 237.299 0.976 20 10 BCCDRO C[N@H+](Cc1ccccc1O)[C@@H]1CCNC1=O ZINC000178304149 397845378 /nfs/dbraw/zinc/84/53/78/397845378.db2.gz SEGBRVYAPIWJFZ-SNVBAGLBSA-N 1 0 220.272 0.713 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[NH2+]C1 ZINC000062115287 172877086 /nfs/dbraw/zinc/87/70/86/172877086.db2.gz VWDPKPVIHOLJIE-JTQLQIEISA-N 1 0 234.299 0.960 20 10 BCCDRO C[N@@H+]1CC[C@@H](CNC(=O)Cc2ccc(N)cc2)C1 ZINC000037645565 173115495 /nfs/dbraw/zinc/11/54/95/173115495.db2.gz KRDHMTKORBNSPL-LBPRGKRZSA-N 1 0 247.342 0.879 20 10 BCCDRO CN1C[C@@H]([NH2+]Cc2cc(F)ccc2O)CC1=O ZINC000272482967 173186446 /nfs/dbraw/zinc/18/64/46/173186446.db2.gz SYCBXRDLXMPBKR-JTQLQIEISA-N 1 0 238.262 0.852 20 10 BCCDRO CNC(=O)C[N@H+](C)Cc1ccccc1O ZINC000168104315 173269537 /nfs/dbraw/zinc/26/95/37/173269537.db2.gz IOBHNRGGHZFRRT-UHFFFAOYSA-N 1 0 208.261 0.570 20 10 BCCDRO CON(C)C(=O)C[NH2+]Cc1ccc(C)cc1O ZINC000895046256 583572172 /nfs/dbraw/zinc/57/21/72/583572172.db2.gz FDGIXTYAVYAZCV-UHFFFAOYSA-N 1 0 238.287 0.810 20 10 BCCDRO Oc1cc2c(cc1C[N@@H+]1C[C@@H]3C[C@]3(O)C1)OCO2 ZINC000895645220 583700496 /nfs/dbraw/zinc/70/04/96/583700496.db2.gz AGHPTORNQLHDNP-ZANVPECISA-N 1 0 249.266 0.688 20 10 BCCDRO NC(=O)[C@H]1C[C@H]([NH2+]Cc2ccccc2O)C1 ZINC000858249070 588940575 /nfs/dbraw/zinc/94/05/75/588940575.db2.gz JFYPSFOAOKZIKA-MGCOHNPYSA-N 1 0 220.272 0.746 20 10 BCCDRO CO[C@H](C[NH3+])CC(=O)N(C)c1ccc(N)cc1 ZINC000877077641 584889651 /nfs/dbraw/zinc/88/96/51/584889651.db2.gz PSZBCCDEEHPAGI-NSHDSACASA-N 1 0 237.303 0.595 20 10 BCCDRO COC[C@]1(C(=O)Nc2ccc(N)cc2)CC[NH2+]C1 ZINC000818556394 586900611 /nfs/dbraw/zinc/90/06/11/586900611.db2.gz QYCNFJVYZWSONL-ZDUSSCGKSA-N 1 0 249.314 0.833 20 10 BCCDRO Oc1ccccc1C[N@H+]1CCOC[C@@H](O)C1 ZINC000824625616 587279978 /nfs/dbraw/zinc/27/99/78/587279978.db2.gz LPSHJRFCSDMYJK-NSHDSACASA-N 1 0 223.272 0.585 20 10 BCCDRO CO[C@@H]1C[N@H+](Cc2cc(C)ccc2O)C[C@H]1O ZINC000825016604 587298790 /nfs/dbraw/zinc/29/87/90/587298790.db2.gz FTZXMNSHDTUVOZ-CHWSQXEVSA-N 1 0 237.299 0.892 20 10 BCCDRO COc1ccc(O)c([C@H](C)NC(=O)CC[NH3+])c1 ZINC000828666207 587456600 /nfs/dbraw/zinc/45/66/00/587456600.db2.gz BSXXRDSDEQBPGY-QMMMGPOBSA-N 1 0 238.287 0.927 20 10 BCCDRO Nc1ccc(CC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000832630615 587670559 /nfs/dbraw/zinc/67/05/59/587670559.db2.gz RLOUZSQIXGBBDR-LBPRGKRZSA-N 1 0 247.342 0.927 20 10 BCCDRO COc1ccc(O)c(CN[C@@H](C)C[NH3+])c1 ZINC000841064173 587942146 /nfs/dbraw/zinc/94/21/46/587942146.db2.gz USIUTYDEWWGNOO-QMMMGPOBSA-N 1 0 210.277 0.838 20 10 BCCDRO C[C@H]([NH3+])[C@H](C)NCc1cc2c(cc1O)OCO2 ZINC000841082133 587945225 /nfs/dbraw/zinc/94/52/25/587945225.db2.gz WGFOTMJUGVSBEV-YUMQZZPRSA-N 1 0 238.287 0.946 20 10 BCCDRO [NH3+][C@H](CNC(=O)NCc1ccccc1O)C1CC1 ZINC000841965940 587987211 /nfs/dbraw/zinc/98/72/11/587987211.db2.gz MAEFJQCIKLVEPU-LLVKDONJSA-N 1 0 249.314 0.929 20 10 BCCDRO CC1(OCC(=O)Nc2ccc(N)cc2)C[NH2+]C1 ZINC000843291937 588097862 /nfs/dbraw/zinc/09/78/62/588097862.db2.gz GBUCSWFBMFULBB-UHFFFAOYSA-N 1 0 235.287 0.586 20 10 BCCDRO CCON(C)C(=O)C[NH2+]Cc1ccccc1O ZINC000846063563 588254869 /nfs/dbraw/zinc/25/48/69/588254869.db2.gz TVOLHHOPYWLBJG-UHFFFAOYSA-N 1 0 238.287 0.892 20 10 BCCDRO CCN(C)c1ccc(C[NH2+]C(CO)CO)cc1 ZINC000846939316 588297927 /nfs/dbraw/zinc/29/79/27/588297927.db2.gz MYEHSQWPBYWRAN-UHFFFAOYSA-N 1 0 238.331 0.586 20 10 BCCDRO COc1ccc(O)c(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000849009085 588433798 /nfs/dbraw/zinc/43/37/98/588433798.db2.gz ZSSVTBLTBVAPJH-MRVPVSSYSA-N 1 0 235.287 0.838 20 10 BCCDRO CNC(=[NH2+])NCc1ccc(OC)cc1O ZINC000849025054 588440234 /nfs/dbraw/zinc/44/02/34/588440234.db2.gz LKWXVPHFOCKASL-UHFFFAOYSA-N 1 0 209.249 0.645 20 10 BCCDRO C[N@@H+](Cc1ccccc1O)C[C@H]1CNC(=O)C1 ZINC000851841914 588634224 /nfs/dbraw/zinc/63/42/24/588634224.db2.gz ZUCSMVNCCJRVGW-SNVBAGLBSA-N 1 0 234.299 0.960 20 10 BCCDRO Nc1ccc(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000852797104 588703841 /nfs/dbraw/zinc/70/38/41/588703841.db2.gz KPWGGFKNWFPWPJ-UMSPYCQHSA-N 1 0 233.315 0.665 20 10 BCCDRO O=C1OC[C@H]2C[N@@H+](Cc3ccccc3O)C[C@@H]12 ZINC000862545630 589219863 /nfs/dbraw/zinc/21/98/63/589219863.db2.gz ZKJSEEUTBBZMCP-GHMZBOCLSA-N 1 0 233.267 0.997 20 10 BCCDRO Nc1ccc(CC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000870971757 589703757 /nfs/dbraw/zinc/70/37/57/589703757.db2.gz IHJSWUAYEUKDOL-UMSPYCQHSA-N 1 0 233.315 0.665 20 10 BCCDRO C[C@H](NC(=O)COCC[NH3+])c1ccccc1O ZINC000870988321 589706898 /nfs/dbraw/zinc/70/68/98/589706898.db2.gz MNNODQGZXYTMFG-VIFPVBQESA-N 1 0 238.287 0.545 20 10 BCCDRO CN(C(=O)/C=C/[C@@H]1CCC[NH2+]C1)c1cnn(C)c1 ZINC000876770924 590239446 /nfs/dbraw/zinc/23/94/46/590239446.db2.gz KQXQYYVBEGMOEA-QRGHLMKCSA-N 1 0 248.330 0.939 20 10 BCCDRO CN(C(=O)C[C@H]1COCC[NH2+]1)c1ccc(N)cc1 ZINC000877077442 590278662 /nfs/dbraw/zinc/27/86/62/590278662.db2.gz IGSAKZSTEXEAJH-NSHDSACASA-N 1 0 249.314 0.610 20 10 BCCDRO CN(C(=O)CCC[NH3+])c1ccc(N)cc1 ZINC000877078732 590279329 /nfs/dbraw/zinc/27/93/29/590279329.db2.gz BSFUXUSKYVXQTH-UHFFFAOYSA-N 1 0 207.277 0.971 20 10 BCCDRO CN(C(=O)CCOC1C[NH2+]C1)c1ccc(N)cc1 ZINC000877077663 590279364 /nfs/dbraw/zinc/27/93/64/590279364.db2.gz QOINUQYTLZPTPW-UHFFFAOYSA-N 1 0 249.314 0.610 20 10 BCCDRO CN(C(=O)C1([NH3+])CC1)c1ccc(N)cc1 ZINC000877079464 590279484 /nfs/dbraw/zinc/27/94/84/590279484.db2.gz ZOKSRFRJEPFRPF-UHFFFAOYSA-N 1 0 205.261 0.723 20 10 BCCDRO Cc1ccc(C[NH2+]C[C@]2(O)CCOC2)c(O)c1 ZINC000877118226 590288552 /nfs/dbraw/zinc/28/85/52/590288552.db2.gz RWAOWRLMEZTNQC-CYBMUJFWSA-N 1 0 237.299 0.942 20 10 BCCDRO Cc1cccc(O)c1C[N@@H+]1CCOC[C@@H](O)C1 ZINC000877561360 590360223 /nfs/dbraw/zinc/36/02/23/590360223.db2.gz KPQPPZWUQVSUDG-NSHDSACASA-N 1 0 237.299 0.894 20 10 BCCDRO CNC(=O)C1C[NH+](Cc2ccc(C)cc2O)C1 ZINC000877581602 590365881 /nfs/dbraw/zinc/36/58/81/590365881.db2.gz KMMMJQRLGXFEFH-UHFFFAOYSA-N 1 0 234.299 0.878 20 10 BCCDRO Cc1ccc(C[NH2+][C@H]2CCNC2=O)c(O)c1 ZINC000877619777 590375486 /nfs/dbraw/zinc/37/54/86/590375486.db2.gz MCHVKBVCTKKYNX-JTQLQIEISA-N 1 0 220.272 0.679 20 10 BCCDRO Cc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)c(O)c1 ZINC000877668477 590389305 /nfs/dbraw/zinc/38/93/05/590389305.db2.gz ZWLCQGOZGWHYQQ-PWSUYJOCSA-N 1 0 223.272 0.550 20 10 BCCDRO C[C@](O)(CO)C[NH2+]Cc1c(O)cccc1Cl ZINC000127345126 590623943 /nfs/dbraw/zinc/62/39/43/590623943.db2.gz KCIDDQUEAKSSSW-LLVKDONJSA-N 1 0 245.706 0.879 20 10 BCCDRO Cn1nncc1C[NH2+]Cc1ccccc1O ZINC000129740999 591391633 /nfs/dbraw/zinc/39/16/33/591391633.db2.gz JLZSSJWJKAGSSR-UHFFFAOYSA-N 1 0 218.260 0.811 20 10 BCCDRO Cc1ccc(O)c(C[NH2+]CCN2CCNC2=O)c1 ZINC000886323627 592208098 /nfs/dbraw/zinc/20/80/98/592208098.db2.gz CFBXSAMPZAAIIJ-UHFFFAOYSA-N 1 0 249.314 0.815 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)COCC[NH3+] ZINC000093231645 634475444 /nfs/dbraw/zinc/47/54/44/634475444.db2.gz RJHYMXMSCJTUEI-UHFFFAOYSA-N 1 0 238.287 0.326 20 10 BCCDRO O=C(NCc1ccccc1O)N[C@@H]1CCC[NH2+]C1 ZINC000258261942 634608441 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PYOVWBSUNHKRPH-UHFFFAOYSA-N 1 0 224.260 0.276 20 10 BCCDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1O ZINC000915517054 641836193 /nfs/dbraw/zinc/83/61/93/641836193.db2.gz FOUPHWSYEMJNER-LLVKDONJSA-N 1 0 249.314 0.896 20 10 BCCDRO C[C@H]1C[N@H+](Cc2ccccc2O)C[C@H](CO)O1 ZINC000191532185 641928441 /nfs/dbraw/zinc/92/84/41/641928441.db2.gz FTGKVFQEMZNNLT-CMPLNLGQSA-N 1 0 237.299 0.974 20 10 BCCDRO C[C@H]1CO[C@H](CO)C[N@@H+]1Cc1ccccc1O ZINC000305749076 642686031 /nfs/dbraw/zinc/68/60/31/642686031.db2.gz WPQCKKGAVYVDIU-JQWIXIFHSA-N 1 0 237.299 0.974 20 10 BCCDRO C[C@H]1CO[C@@H](CO)C[N@@H+]1Cc1ccccc1O ZINC000305749074 642686802 /nfs/dbraw/zinc/68/68/02/642686802.db2.gz WPQCKKGAVYVDIU-CMPLNLGQSA-N 1 0 237.299 0.974 20 10 BCCDRO COCC[N@H+](CCO)Cc1cc(F)ccc1O ZINC000180061875 642771320 /nfs/dbraw/zinc/77/13/20/642771320.db2.gz IXCJKSVHRLSWKX-UHFFFAOYSA-N 1 0 243.278 0.972 20 10 BCCDRO Cc1ccc(C[NH2+]CCOCCO)c(O)c1 ZINC000083353991 643434538 /nfs/dbraw/zinc/43/45/38/643434538.db2.gz XNZPTIYGIGUXSF-UHFFFAOYSA-N 1 0 225.288 0.799 20 10 BCCDRO COCC[NH2+]CC(=O)Nc1ccc(N)cc1 ZINC000160444094 643588067 /nfs/dbraw/zinc/58/80/67/643588067.db2.gz DMJFMGZCQUKLMX-UHFFFAOYSA-N 1 0 223.276 0.443 20 10 BCCDRO C[C@H]([NH2+]C[C@H](O)CO)c1ccccc1O ZINC000085246036 643698131 /nfs/dbraw/zinc/69/81/31/643698131.db2.gz YYKTVORTIFKDIU-IUCAKERBSA-N 1 0 211.261 0.396 20 10 BCCDRO Oc1cccc2c1[C@H]([NH2+]C[C@H]1CNCCO1)CC2 ZINC000817983598 644994371 /nfs/dbraw/zinc/99/43/71/644994371.db2.gz OMTWGRLFIQZBRJ-VXGBXAGGSA-N 1 0 248.326 0.958 20 10 BCCDRO Oc1cccc2c1[C@@H]([NH2+]C[C@@H]1CNCCO1)CC2 ZINC000817983597 644995790 /nfs/dbraw/zinc/99/57/90/644995790.db2.gz OMTWGRLFIQZBRJ-RYUDHWBXSA-N 1 0 248.326 0.958 20 10 BCCDRO OCC1(O)CC[NH+](Cc2ccccc2O)CC1 ZINC000827146940 645073493 /nfs/dbraw/zinc/07/34/93/645073493.db2.gz LFNJUBOJZFGWSX-UHFFFAOYSA-N 1 0 237.299 0.711 20 10 BCCDRO NC(=O)[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)CCO3)C1 ZINC000846047088 645392276 /nfs/dbraw/zinc/39/22/76/645392276.db2.gz SWENGDVTCQKYKN-TXEJJXNPSA-N 1 0 246.310 0.975 20 10 BCCDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)cc1)C(N)=O ZINC000035142464 645977174 /nfs/dbraw/zinc/97/71/74/645977174.db2.gz ZDTKPCFCHJLCMO-SECBINFHSA-N 1 0 221.304 0.716 20 10 BCCDRO C[C@H](O)[C@H](O)C[N@H+](C)Cc1ccccc1O ZINC000929969930 646382053 /nfs/dbraw/zinc/38/20/53/646382053.db2.gz GEXUPUKDCOKKIJ-JOYOIKCWSA-N 1 0 225.288 0.566 20 10 BCCDRO Nc1ccc(CC[NH2+][C@H]2CNCCOC2)cc1 ZINC000925690104 646417174 /nfs/dbraw/zinc/41/71/74/646417174.db2.gz DZZLKLIXQCXNHL-ZDUSSCGKSA-N 1 0 235.331 0.389 20 10 BCCDRO C[C@@H](O)[C@H](O)C[NH2+][C@@H](C)c1ccccc1O ZINC000717309603 712646174 /nfs/dbraw/zinc/64/61/74/712646174.db2.gz VFCKCBQABNESJO-YGOYTEALSA-N 1 0 225.288 0.785 20 10 BCCDRO CN(Cc1ccccc1O)C(=O)[C@H]1CC[NH2+]1 ZINC000384821011 710997073 /nfs/dbraw/zinc/99/70/73/710997073.db2.gz PYHNITSADIZLCJ-SNVBAGLBSA-N 1 0 220.272 0.713 20 10 BCCDRO [NH3+]Cc1ccc2c(c1)CCCN2[C@@H]1CCNC1=O ZINC000700889978 712009938 /nfs/dbraw/zinc/00/99/38/712009938.db2.gz MKCYPZCZQGYLLX-CYBMUJFWSA-N 1 0 245.326 0.786 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1cccc(OC)c1O ZINC000036780430 712494888 /nfs/dbraw/zinc/49/48/88/712494888.db2.gz HCVNFTDEICKNQD-UHFFFAOYSA-N 1 0 238.287 0.627 20 10 BCCDRO CCNC(=O)C[NH2+]Cc1ccc2c(c1)CCO2 ZINC000037363084 712574894 /nfs/dbraw/zinc/57/48/94/712574894.db2.gz ODPJDYZWOLSOIG-UHFFFAOYSA-N 1 0 234.299 0.847 20 10 BCCDRO OCC1(CO)CC[N@H+](Cc2ccccc2O)C1 ZINC000827474895 712593274 /nfs/dbraw/zinc/59/32/74/712593274.db2.gz NWCNWTINFAOROF-UHFFFAOYSA-N 1 0 237.299 0.569 20 10 BCCDRO